| 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 | 37.9 | Very low | 36.3 | Very low | 233 Ų | 233 | 169.3 Ų | 169.3 | 100% | 1.148 | 85% | 0.851 | S | S | * | * | 0 | 118.6 | 0 | -80.6 | 166.9 | 123.5 | 0 | 0 | 107.8 | |||||
| 2 | L | 38.9 | Very low | 36.4 | Very low | 157 Ų | 157 | 163.5 Ų | 163.5 | 82% | 0.822 | 84% | 0.838 | S | S | * | * | trans | 47.1 | 98.8 | 155.3 | -67 | 137.4 | 0 | 0 | 0 | 118 | ||||
| 3 | L | 34.1 | Very low | 36.9 | Very low | 136 Ų | 136 | 160.8 Ų | 160.8 | 71% | 0.712 | 84% | 0.837 | S | S | * | * | 97.8 | 105.5 | 81.9 | -134.9 | 87.6 | 0 | 0 | 0 | 111.1 | L5 | L3-L5 HydrophobicContact CD2-CD1 4.07Š| |||
| 4 | P | 46.8 | Very low | 36.7 | Very low | 129 Ų | 129 | 160.2 Ų | 160.2 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | trans | -85.9 | 137.3 | 169.2 | 33.8 | -28 | 0 | 0 | 0 | 109.7 | ||||
| 5 | L | 37.8 | Very low | 36.4 | Very low | 135 Ų | 135 | 159.9 Ų | 159.9 | 71% | 0.707 | 83% | 0.833 | S | S | * | * | trans | -144 | 135.3 | 176.3 | -109.1 | 159.1 | 0 | 0 | 0 | 108.2 | L3 | L3-L5 HydrophobicContact CD2-CD1 4.07Š| ||
| 6 | L | 37.2 | Very low | 36.5 | Very low | 147 Ų | 147 | 159.2 Ų | 159.2 | 77% | 0.77 | 84% | 0.838 | S | S | * | * | trans | 83.2 | 88 | 159.4 | -55.6 | 169.6 | 0 | 0 | 0 | 117.6 | ||||
| 7 | L | 34.1 | Very low | 36.3 | Very low | 170 Ų | 170 | 154.4 Ų | 154.4 | 89% | 0.89 | 84% | 0.836 | S | S | * | * | 167.3 | 100.9 | 101.6 | -115.7 | 77.7 | 0 | 0 | 0 | 109.2 | |||||
| 8 | R | 33.4 | Very low | 36.2 | Very low | 253 Ų | 253 | 153.1 Ų | 153.1 | 96% | 0.955 | 84% | 0.839 | S | S | * | * | trans | -134.7 | 94.8 | 164 | -142.7 | -179.6 | -171.6 | -136.5 | 3.1 | 107.2 | ||||
| 9 | Q | 35.8 | Very low | 36.1 | Very low | 192 Ų | 192 | 151.9 Ų | 151.9 | 90% | 0.897 | 84% | 0.836 | S | S | * | * | trans | -118.9 | 144.2 | 159.6 | -81.8 | -174.1 | -6.5 | 0 | 0 | 104.6 | ||||
| 10 | S | 33.3 | Very low | 36.2 | Very low | 99 Ų | 99 | 155.9 Ų | 155.9 | 69% | 0.692 | 84% | 0.838 | S | S | * | * | cis | -165.8 | 133.7 | 6.1 | 174.5 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 11 | F | 29.8 | Very low | 36.1 | Very low | 211 Ų | 211 | 152.6 Ų | 152.6 | 93% | 0.925 | 83% | 0.833 | S | S | * | * | trans | -165.5 | 109 | 155.4 | -112.7 | -79.6 | 0 | 0 | 0 | 109.1 | ||||
| 12 | S | 37.2 | Very low | 35.9 | Very low | 100 Ų | 100 | 150 Ų | 150 | 70% | 0.699 | 82% | 0.823 | S | S | * | * | trans | -65.6 | 154.1 | 165.2 | -62.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 13 | P | 43.1 | Very low | 35.7 | Very low | 128 Ų | 128 | 151.9 Ų | 151.9 | 83% | 0.831 | 83% | 0.827 | S | S | * | * | -142.6 | 153 | 98 | 29.1 | -10 | 0 | 0 | 0 | 115 | |||||
| 14 | L | 33.9 | Very low | 35.4 | Very low | 153 Ų | 153 | 148.3 Ų | 148.3 | 80% | 0.801 | 82% | 0.823 | S | S | * | * | trans | -65.1 | 158.1 | 168.3 | -92.4 | 124.5 | 0 | 0 | 0 | 112.4 | ||||
| 15 | L | 33.3 | Very low | 34.6 | Very low | 155 Ų | 155 | 147.9 Ų | 147.9 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | trans | 82.1 | 82.5 | 156.1 | -69.6 | 145.7 | 0 | 0 | 0 | 117.3 | ||||
| 16 | T | 37.2 | Very low | 34.4 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 91% | 0.914 | 83% | 0.831 | S | S | * | * | trans | -145.9 | 96.1 | 141 | -31.4 | 0 | 0 | 0 | 0 | 109.4 | C18 | T16-C18 PolarHBondContact O-N 2.77Š| ||
| 17 | G | 32.8 | Very low | 34.2 | Very low | 77 Ų | 77 | 148.9 Ų | 148.9 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | trans | -81.1 | 111.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 18 | C | 35 | Very low | 34.5 | Very low | 132 Ų | 132 | 152.2 Ų | 152.2 | 89% | 0.892 | 84% | 0.835 | S | S | * | * | trans | 23.7 | 109.9 | 144.6 | -92.3 | 0 | 0 | 0 | 0 | 120 | T16 | T16-C18 PolarHBondContact O-N 2.77Š| ||
| 19 | V | 35.1 | Very low | 34.5 | Very low | 131 Ų | 131 | 146 Ų | 146 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | -98.5 | 142.4 | 148.5 | 179.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 20 | R | 36.8 | Very low | 34.6 | Very low | 230 Ų | 230 | 144.7 Ų | 144.7 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | 129.9 | 105.3 | 153.9 | -72.7 | 175.4 | -169.9 | -177.4 | 3.2 | 110.4 | ||||
| 21 | A | 34.7 | Very low | 34.7 | Very low | 88 Ų | 88 | 148 Ų | 148 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | 56.6 | 101.9 | 72.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 22 | L | 34.6 | Very low | 34.8 | Very low | 179 Ų | 179 | 142.6 Ų | 142.6 | 94% | 0.937 | 82% | 0.821 | S | S | * | * | trans | -141.6 | 112.6 | 153 | -84.9 | 176.1 | 0 | 0 | 0 | 110.8 | ||||
| 23 | H | 32.9 | Very low | 34.8 | Very low | 195 Ų | 195 | 147 Ų | 147 | 90% | 0.903 | 83% | 0.83 | S | S | * | * | trans | -58.2 | 154.6 | 151.2 | -112.4 | 92.6 | 0 | 0 | 0 | 110.6 | ||||
| 24 | G | 28.1 | Very low | 34.6 | Very low | 61 Ų | 61 | 144.2 Ų | 144.2 | 63% | 0.629 | 83% | 0.825 | S | S | * | * | trans | 113.4 | 100.7 | 135.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 25 | S | 30.6 | Very low | 35.1 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | 54.3 | 113.7 | 135.7 | 62.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 26 | S | 32.5 | Very low | 35.5 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 88% | 0.881 | 82% | 0.816 | S | S | * | * | -163.5 | 131.6 | 121.2 | -147.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 27 | Q | 34.6 | Very low | 35.8 | Very low | 177 Ų | 177 | 143.3 Ų | 143.3 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | -65 | 145.9 | 176.4 | -69.8 | 162.4 | -35.6 | 0 | 0 | 112.2 | ||||
| 28 | R | 40.2 | Very low | 36.4 | Very low | 239 Ų | 239 | 146.9 Ų | 146.9 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -173.1 | 94.7 | 141.2 | -97.3 | 162.5 | -155.8 | -151.5 | 6.5 | 106.4 | ||||
| 29 | T | 32.6 | Very low | 36.9 | Very low | 123 Ų | 123 | 149.7 Ų | 149.7 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | 49.9 | 99.5 | 100.7 | -29.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 30 | L | 38.4 | Very low | 37.2 | Very low | 164 Ų | 164 | 153.3 Ų | 153.3 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | -174.4 | 120.4 | 111.4 | -97.7 | 163.7 | 0 | 0 | 0 | 110.4 | |||||
| 31 | L | 35.2 | Very low | 37.6 | Very low | 168 Ų | 168 | 153.8 Ų | 153.8 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | trans | -53.3 | 142.7 | 162.9 | -73 | 143.2 | 0 | 0 | 0 | 110.6 | ||||
| 32 | S | 32.4 | Very low | 38.4 | Very low | 98 Ų | 98 | 155.8 Ų | 155.8 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | 175.5 | 136.5 | 121.8 | -173 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 33 | Q | 37.4 | Very low | 39.3 | Very low | 193 Ų | 193 | 151.8 Ų | 151.8 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | 70 | 134.7 | 164.7 | -68.3 | 166.6 | 15.8 | 0 | 0 | 117.1 | ||||
| 34 | G | 37.5 | Very low | 40.4 | Very low | 69 Ų | 69 | 147.6 Ų | 147.6 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | cis | -179.6 | 139.2 | -0.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 35 | E | 44.1 | Very low | 41.3 | Very low | 165 Ų | 165 | 156.7 Ų | 156.7 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | trans | 6 | 129.3 | 158.7 | -46.7 | -173.9 | 116.4 | 0 | 0 | 119 | ||||
| 36 | H | 43 | Very low | 42.5 | Very low | 144 Ų | 144 | 159 Ų | 159 | 67% | 0.667 | 81% | 0.807 | S | S | * | * | 165 | 128.8 | 97.1 | -96.2 | -72.8 | 0 | 0 | 0 | 113.6 | |||||
| 37 | L | 43.8 | Very low | 43.5 | Very low | 129 Ų | 129 | 158.8 Ų | 158.8 | 68% | 0.675 | 80% | 0.802 | S | S | * | * | trans | 74.7 | 105 | 133.7 | -61.6 | 164.8 | 0 | 0 | 0 | 122.1 | ||||
| 38 | L | 45.7 | Very low | 44.7 | Very low | 152 Ų | 152 | 156.8 Ų | 156.8 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | 48.2 | 126.5 | 119.1 | -59.3 | 175.2 | 0 | 0 | 0 | 118.8 | |||||
| 39 | R | 43.7 | Very low | 45.5 | Very low | 192 Ų | 192 | 156.8 Ų | 156.8 | 73% | 0.725 | 80% | 0.802 | S | S | * | * | 151.7 | 132.8 | 91.4 | -158.1 | 164.7 | -169.8 | -164.3 | 5.3 | 113.7 | |||||
| 40 | R | 42.7 | Very low | 46.7 | Very low | 207 Ų | 207 | 157.8 Ų | 157.8 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | trans | 79 | 121.1 | 148.2 | -86 | 169.3 | -174.7 | -158.4 | -1.9 | 121.8 | ||||
| 41 | R | 45.1 | Very low | 47.7 | Very low | 239 Ų | 239 | 157.8 Ų | 157.8 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | -84.2 | 165.3 | 152.9 | -70 | -177.2 | 166.8 | -174.3 | -3.5 | 110.7 | ||||
| 42 | P | 50.8 | Low | 48.9 | Very low | 130 Ų | 130 | 154.5 Ų | 154.5 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | -144.2 | 165.2 | 98.4 | 32.3 | -13.3 | 0 | 0 | 0 | 116.1 | |||||
| 43 | A | 53.4 | Low | 50.2 | Low | 95 Ų | 95 | 159.4 Ų | 159.4 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -83.9 | 174.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 44 | S | 55.9 | Low | 51.3 | Low | 108 Ų | 108 | 156.7 Ų | 156.7 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | cis | -172.7 | 162.2 | 17.8 | 45.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 45 | R | 46.8 | Very low | 52.5 | Low | 252 Ų | 252 | 156.2 Ų | 156.2 | 95% | 0.951 | 76% | 0.764 | S | S | * | * | trans | -174.1 | 129.1 | 143 | -102.3 | 177.6 | -133.2 | -134 | 6.5 | 110.2 | ||||
| 46 | L | 57 | Low | 53.7 | Low | 169 Ų | 169 | 156.7 Ų | 156.7 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | trans | -103.8 | 145.8 | 174.6 | -93.7 | 139.3 | 0 | 0 | 0 | 110.2 | ||||
| 47 | P | 53.3 | Low | 54.9 | Low | 122 Ų | 122 | 154 Ų | 154 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | trans | -118.9 | 140.9 | 150.7 | 33.4 | -20.3 | 0 | 0 | 0 | 111.7 | ||||
| 48 | T | 60.8 | Low | 56.2 | Low | 134 Ų | 134 | 153.5 Ų | 153.5 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | trans | -96.4 | 151.9 | 177.7 | 39.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 49 | R | 56.9 | Low | 57.6 | Low | 239 Ų | 239 | 150.8 Ų | 150.8 | 90% | 0.902 | 73% | 0.727 | S | S | * | * | trans | 89.7 | 89.2 | 146.6 | -164.6 | 171.9 | 155.1 | 167.4 | -5.8 | 118 | ||||
| 50 | N | 57.1 | Low | 59.2 | Low | 145 Ų | 145 | 147.1 Ų | 147.1 | 78% | 0.775 | 72% | 0.718 | S | S | * | * | trans | -148.7 | 21.7 | 159.6 | -140.5 | 7.8 | 0 | 0 | 0 | 114.6 | ||||
| 51 | H | 60 | Low | 60.9 | Low | 164 Ų | 164 | 142.2 Ų | 142.2 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -79.6 | -23 | -164.3 | -156.6 | -72.3 | 0 | 0 | 0 | 115.3 | ||
| 52 | S | 59.3 | Low | 62.5 | Low | 99 Ų | 99 | 138.5 Ų | 138.5 | 69% | 0.692 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -76.6 | -36.7 | -170.2 | 179.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 53 | R | 59 | Low | 64 | Low | 200 Ų | 200 | 139.3 Ų | 139.3 | 76% | 0.755 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -73.5 | -39.1 | -179 | -153.4 | 173.3 | -174.8 | 175.7 | 1 | 112.3 | S55 R56 | R53-S55 PolarHBondContact O-N 3.25Å; R53-R56 PolarHBondContact O-N 2.8Å |
| 54 | K | 60.6 | Low | 65.5 | Low | 137 Ų | 137 | 139 Ų | 139 | 60% | 0.596 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -60.8 | -31.5 | 177.4 | -167.4 | 176.3 | -178.6 | -178.8 | 0 | 113.1 | Q58 | K54-Q58 WeakPolarHBondContact O-CB 3.39Å; K54-Q58 VanDerWaalsContact O-CG 3.25Å; K54-Q58 WeakPolarHBondContact O-CG 3.27Å; K54-Q58 PolarHBondContact O-N 3.41Å |
| 55 | S | 64.1 | Low | 66.9 | Low | 59 Ų | 59 | 141.1 Ų | 141.1 | 41% | 0.413 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -69.3 | -32 | -179.8 | -169.3 | 0 | 0 | 0 | 0 | 113.4 | R53 E59 | R53-S55 PolarHBondContact O-N 3.25Å; S55-E59 PolarHBondContact O-N 3.12Å |
| 56 | R | 68.3 | Low | 69 | Low | 174 Ų | 174 | 132.5 Ų | 132.5 | 66% | 0.657 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -77.8 | -43.5 | -178.4 | -70.6 | -178.6 | 62.3 | 176.5 | -1.8 | 111.8 | R53 Q58 E59 E60 | R53-R56 PolarHBondContact O-N 2.8Å; R56-Q58 VanDerWaalsContact C-N 3.3Å; R56-Q58 PolarHBondContact O-N 3.02Å; R56-E59 PolarHBondContact O-N 2.63Å; R56-E59 VanDerWaalsContact O-N 3.15Å; R56-E60 PolarHBondContact O-N 2.95Å; R56-E60 VanDerWaalsContact O-N 3.09Å |
| 57 | D | 69.6 | Low | 70.5 | Confident | 89 Ų | 89 | 131.5 Ų | 131.5 | 48% | 0.476 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -63.6 | -38.1 | 177.3 | -57.6 | -19.8 | 0 | 0 | 0 | 111.2 | E59 E60 E61 | D57-E59 VanDerWaalsContact C-N 3.33Å; D57-E59 PolarHBondContact O-N 2.93Å; D57-E60 PolarHBondContact O-N 3.32Å; D57-E61 PolarHBondContact O-N 2.99Å; D57-E61 VanDerWaalsContact O-N 3.09Å |
| 58 | Q | 70.9 | Confident | 72.3 | Confident | 117 Ų | 117 | 128.9 Ų | 128.9 | 55% | 0.547 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.5 | -34.5 | 174.6 | -77.4 | -173.9 | -22.4 | 0 | 0 | 113.2 | K54 R56 W62 | K54-Q58 WeakPolarHBondContact O-CB 3.39Å; K54-Q58 VanDerWaalsContact O-CG 3.25Å; K54-Q58 WeakPolarHBondContact O-CG 3.27Å; K54-Q58 PolarHBondContact O-N 3.41Å; R56-Q58 VanDerWaalsContact C-N 3.3Å; R56-Q58 PolarHBondContact O-N 3.02Å; Q58-W62 WeakPolarHBondContact O-CB 3.36Å; Q58-W62 PolarHBondContact O-N 3Å; Q58-W62 VanDerWaalsContact O-N 3.14Å |
| 59 | E | 75.2 | Confident | 73.9 | Confident | 95 Ų | 95 | 126.3 Ų | 126.3 | 44% | 0.444 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -77 | -33 | 179.4 | -165.1 | 165.7 | 159 | 0 | 0 | 112.4 | S55 R56 D57 W62 R63 | S55-E59 PolarHBondContact O-N 3.12Å; R56-E59 PolarHBondContact O-N 2.63Å; R56-E59 VanDerWaalsContact O-N 3.15Å; D57-E59 VanDerWaalsContact C-N 3.33Å; D57-E59 PolarHBondContact O-N 2.93Å; E59-W62 PolarHBondContact O-N 3.28Å; E59-R63 WeakPolarHBondContact O-CB 3.06Å; E59-R63 VanDerWaalsContact O-CG 3.25Å; E59-R63 WeakPolarHBondContact O-CG 3.4Å; E59-R63 PolarHBondContact O-N 2.84Å; E59-R63 IonicContact OE1-CZ 3.91Å; E59-R63 IonicContact OE1-NE 3.04Å; E59-R63 IonicContact OE1-NH2 3.53Å; E59-R63 PolarHBondContact OE1-NH2 3.05Å |
| 60 | E | 76.9 | Confident | 75.7 | Confident | 115 Ų | 115 | 120.8 Ų | 120.8 | 54% | 0.537 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69 | -40.6 | 174.2 | -70.4 | 179.7 | -168.6 | 0 | 0 | 112.1 | R56 D57 R63 T64 | R56-E60 PolarHBondContact O-N 2.95Å; R56-E60 VanDerWaalsContact O-N 3.09Å; D57-E60 PolarHBondContact O-N 3.32Å; E60-R63 PolarHBondContact O-N 3.37Å; E60-T64 WeakPolarHBondContact O-CB 3.23Å; E60-T64 PolarHBondContact O-N 3.09Å; E60-T64 PolarHBondContact O-OG1 2.88Å |
| 61 | E | 77.9 | Confident | 77.5 | Confident | 105 Ų | 105 | 118.4 Ų | 118.4 | 49% | 0.491 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.8 | -44.2 | 171.6 | -77.5 | -170.5 | -172.2 | 0 | 0 | 112 | D57 T64 R65 | D57-E61 PolarHBondContact O-N 2.99Å; D57-E61 VanDerWaalsContact O-N 3.09Å; E61-T64 PolarHBondContact O-N 2.68Å; E61-R65 WeakPolarHBondContact O-CG 3.32Å; E61-R65 PolarHBondContact O-N 2.98Å; E61-R65 IonicContact OE2-CZ 3.66Å; E61-R65 IonicContact OE2-NH2 2.82Å; E61-R65 PolarHBondContact OE2-NH2 3.4Å |
| 62 | W | 78.5 | Confident | 79.2 | Confident | 161 Ų | 161 | 118.8 Ų | 118.8 | 61% | 0.61 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.8 | -43.9 | 177.9 | -178.3 | -103.6 | 0 | 0 | 0 | 112.2 | Q58 E59 T64 R65 N66 | Q58-W62 WeakPolarHBondContact O-CB 3.36Å; Q58-W62 PolarHBondContact O-N 3Å; Q58-W62 VanDerWaalsContact O-N 3.14Å; E59-W62 PolarHBondContact O-N 3.28Å; W62-T64 VanDerWaalsContact C-N 3.34Å; W62-T64 PolarHBondContact O-N 3.03Å; W62-R65 PolarHBondContact O-N 2.83Å; W62-N66 PolarHBondContact NE1-ND2 2.99Å; W62-N66 WeakPolarHBondContact O-CB 3.02Å; W62-N66 PolarHBondContact O-N 2.75Å; W62-N66 PolarHBondContact O-OD1 3.01Å |
| 63 | R | 83.1 | Confident | 80.9 | Confident | 147 Ų | 147 | 119.4 Ų | 119.4 | 56% | 0.555 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.3 | -39.8 | 176.5 | -74.7 | 174.8 | -173.8 | -153 | 3.6 | 112.2 | E59 E60 K67 | E59-R63 WeakPolarHBondContact O-CB 3.06Å; E59-R63 VanDerWaalsContact O-CG 3.25Å; E59-R63 WeakPolarHBondContact O-CG 3.4Å; E59-R63 PolarHBondContact O-N 2.84Å; E59-R63 IonicContact OE1-CZ 3.91Å; E59-R63 IonicContact OE1-NE 3.04Å; E59-R63 IonicContact OE1-NH2 3.53Å; E59-R63 PolarHBondContact OE1-NH2 3.05Å; E60-R63 PolarHBondContact O-N 3.37Å; R63-K67 WeakPolarHBondContact O-CB 3.27Å; R63-K67 VanDerWaalsContact O-CG 3.31Å; R63-K67 WeakPolarHBondContact O-CG 3.15Å; R63-K67 PolarHBondContact O-N 2.81Å |
| 64 | T | 84.4 | Confident | 82.6 | Confident | 89 Ų | 89 | 112.6 Ų | 112.6 | 55% | 0.546 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.4 | -45.1 | 179.1 | -54.2 | 0 | 0 | 0 | 0 | 110.9 | E60 E61 W62 N66 K67 T68 | E60-T64 WeakPolarHBondContact O-CB 3.23Å; E60-T64 PolarHBondContact O-N 3.09Å; E60-T64 PolarHBondContact O-OG1 2.88Å; E61-T64 PolarHBondContact O-N 2.68Å; W62-T64 VanDerWaalsContact C-N 3.34Å; W62-T64 PolarHBondContact O-N 3.03Å; T64-N66 PolarHBondContact O-N 2.83Å; T64-K67 PolarHBondContact O-N 2.76Å; T64-T68 PolarHBondContact O-N 3.08Å; T64-T68 PolarHBondContact O-OG1 2.81Å; T64-T68 VanDerWaalsContact O-OG1 3.12Å |
| 65 | R | 84.8 | Confident | 84.3 | Confident | 151 Ų | 151 | 109.1 Ų | 109.1 | 57% | 0.57 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.5 | -43.9 | 175.5 | -69.9 | 178 | -169.2 | 166.3 | 13.8 | 112.2 | E61 W62 K67 T68 V69 | E61-R65 WeakPolarHBondContact O-CG 3.32Å; E61-R65 PolarHBondContact O-N 2.98Å; E61-R65 IonicContact OE2-CZ 3.66Å; E61-R65 IonicContact OE2-NH2 2.82Å; E61-R65 PolarHBondContact OE2-NH2 3.4Å; W62-R65 PolarHBondContact O-N 2.83Å; R65-K67 PolarHBondContact O-N 2.92Å; R65-T68 PolarHBondContact O-N 2.88Å; R65-V69 VanDerWaalsContact O-CG2 3.3Å; R65-V69 WeakPolarHBondContact O-CG2 3.12Å; R65-V69 PolarHBondContact O-N 2.79Å |
| 66 | N | 90.6 | Very high | 85.9 | Confident | 71 Ų | 71 | 109.4 Ų | 109.4 | 38% | 0.38 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 178.7 | -71.3 | -5.1 | 0 | 0 | 0 | 112.5 | W62 T64 V69 L70 | W62-N66 PolarHBondContact NE1-ND2 2.99Å; W62-N66 WeakPolarHBondContact O-CB 3.02Å; W62-N66 PolarHBondContact O-N 2.75Å; W62-N66 PolarHBondContact O-OD1 3.01Å; T64-N66 PolarHBondContact O-N 2.83Å; N66-V69 PolarHBondContact O-N 3.19Å; N66-L70 VanDerWaalsContact O-CB 3.27Å; N66-L70 WeakPolarHBondContact O-CB 3.37Å; N66-L70 PolarHBondContact O-N 2.95Å |
| 67 | K | 90.1 | Very high | 87.2 | Confident | 149 Ų | 149 | 102.7 Ų | 102.7 | 65% | 0.648 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.7 | -49.2 | 173.1 | -77.2 | 176.5 | 179.3 | -177 | 0 | 110.7 | R63 T64 R65 V69 L70 T71 | R63-K67 WeakPolarHBondContact O-CB 3.27Å; R63-K67 VanDerWaalsContact O-CG 3.31Å; R63-K67 WeakPolarHBondContact O-CG 3.15Å; R63-K67 PolarHBondContact O-N 2.81Å; T64-K67 PolarHBondContact O-N 2.76Å; R65-K67 PolarHBondContact O-N 2.92Å; K67-V69 PolarHBondContact O-N 3.07Å; K67-L70 PolarHBondContact O-N 2.88Å; K67-T71 PolarHBondContact O-N 3.3Å; K67-T71 PolarHBondContact O-OG1 2.94Å |
| 68 | T | 90.9 | Very high | 88.5 | Confident | 67 Ų | 67 | 103.5 Ų | 103.5 | 41% | 0.411 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58 | -47.9 | 177.6 | -60.9 | 0 | 0 | 0 | 0 | 112 | T64 R65 L70 T71 Y72 | T64-T68 PolarHBondContact O-N 3.08Å; T64-T68 PolarHBondContact O-OG1 2.81Å; T64-T68 VanDerWaalsContact O-OG1 3.12Å; R65-T68 PolarHBondContact O-N 2.88Å; T68-L70 PolarHBondContact O-N 2.94Å; T68-T71 PolarHBondContact O-N 2.77Å; T68-Y72 HydrophobicContact CG2-CD2 3.79Å; T68-Y72 HydrophobicContact CG2-CE2 3.38Å; T68-Y72 WeakPolarHBondContact O-CD2 3.37Å; T68-Y72 PolarHBondContact O-N 2.76Å; T68-Y72 VanDerWaalsContact O-N 3.12Å |
| 69 | V | 93.5 | Very high | 89.8 | Confident | 80 Ų | 80 | 99.6 Ų | 99.6 | 49% | 0.485 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 177.9 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | R65 N66 K67 T71 Y72 I73 | R65-V69 VanDerWaalsContact O-CG2 3.3Å; R65-V69 WeakPolarHBondContact O-CG2 3.12Å; R65-V69 PolarHBondContact O-N 2.79Å; N66-V69 PolarHBondContact O-N 3.19Å; K67-V69 PolarHBondContact O-N 3.07Å; V69-T71 VanDerWaalsContact C-N 3.33Å; V69-T71 PolarHBondContact O-N 2.85Å; V69-Y72 PolarHBondContact O-N 2.97Å; V69-I73 HydrophobicContact CG1-CD1 3.76Å; V69-I73 HydrophobicContact CG1-CG1 4.41Å; V69-I73 WeakPolarHBondContact O-CG1 3.4Å; V69-I73 PolarHBondContact O-N 3.34Å |
| 70 | L | 94.2 | Very high | 90.8 | Very high | 122 Ų | 122 | 101.5 Ų | 101.5 | 64% | 0.639 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61 | -42.2 | 177.7 | -174.5 | 69.6 | 0 | 0 | 0 | 111.5 | N66 K67 T68 Y72 I73 A74 | N66-L70 VanDerWaalsContact O-CB 3.27Å; N66-L70 WeakPolarHBondContact O-CB 3.37Å; N66-L70 PolarHBondContact O-N 2.95Å; K67-L70 PolarHBondContact O-N 2.88Å; T68-L70 PolarHBondContact O-N 2.94Å; L70-Y72 PolarHBondContact O-N 2.78Å; L70-I73 PolarHBondContact O-N 2.88Å; L70-A74 WeakPolarHBondContact O-CB 3.49Å; L70-A74 PolarHBondContact O-N 3.16Å |
| 71 | T | 94.7 | Very high | 91.7 | Very high | 95 Ų | 95 | 101.9 Ų | 101.9 | 58% | 0.583 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.6 | -41.3 | 177.8 | -39.2 | 0 | 0 | 0 | 0 | 111.8 | K67 T68 V69 A74 A75 | K67-T71 PolarHBondContact O-N 3.3Å; K67-T71 PolarHBondContact O-OG1 2.94Å; T68-T71 PolarHBondContact O-N 2.77Å; V69-T71 VanDerWaalsContact C-N 3.33Å; V69-T71 PolarHBondContact O-N 2.85Å; T71-A74 PolarHBondContact O-N 2.85Å; T71-A75 WeakPolarHBondContact O-CB 3.44Å; T71-A75 PolarHBondContact O-N 2.87Å |
| 72 | Y | 95.8 | Very high | 92.6 | Very high | 172 Ų | 172 | 98.9 Ų | 98.9 | 68% | 0.675 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.3 | -43.1 | 176.4 | -77 | -66 | 0 | 0 | 0 | 112.5 | T68 V69 L70 A75 A76 | T68-Y72 HydrophobicContact CG2-CD2 3.79Å; T68-Y72 HydrophobicContact CG2-CE2 3.38Å; T68-Y72 WeakPolarHBondContact O-CD2 3.37Å; T68-Y72 PolarHBondContact O-N 2.76Å; T68-Y72 VanDerWaalsContact O-N 3.12Å; V69-Y72 PolarHBondContact O-N 2.97Å; L70-Y72 PolarHBondContact O-N 2.78Å; Y72-A75 PolarHBondContact O-N 3.45Å; Y72-A76 WeakPolarHBondContact O-CB 3.18Å; Y72-A76 PolarHBondContact O-N 2.89Å |
| 73 | I | 95.9 | Very high | 93.4 | Very high | 113 Ų | 113 | 97.4 Ų | 97.4 | 58% | 0.579 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64 | -43.1 | 177.2 | -67.5 | 171.1 | 0 | 0 | 0 | 110.4 | V69 L70 A76 G77 | V69-I73 HydrophobicContact CG1-CD1 3.76Å; V69-I73 HydrophobicContact CG1-CG1 4.41Å; V69-I73 WeakPolarHBondContact O-CG1 3.4Å; V69-I73 PolarHBondContact O-N 3.34Å; L70-I73 PolarHBondContact O-N 2.88Å; I73-A76 PolarHBondContact O-N 2.83Å; I73-G77 PolarHBondContact O-N 2.9Å |
| 74 | A | 95.4 | Very high | 94 | Very high | 56 Ų | 56 | 93.9 Ų | 93.9 | 46% | 0.463 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | L70 T71 A76 G77 V78 | L70-A74 WeakPolarHBondContact O-CB 3.49Å; L70-A74 PolarHBondContact O-N 3.16Å; T71-A74 PolarHBondContact O-N 2.85Å; A74-A76 PolarHBondContact O-N 2.78Å; A74-G77 PolarHBondContact O-N 2.78Å; A74-V78 WeakPolarHBondContact O-CG2 3.38Å; A74-V78 PolarHBondContact O-N 3.3Å |
| 75 | A | 96.3 | Very high | 94.5 | Very high | 64 Ų | 64 | 98.9 Ų | 98.9 | 53% | 0.529 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T71 Y72 V78 G79 | T71-A75 WeakPolarHBondContact O-CB 3.44Å; T71-A75 PolarHBondContact O-N 2.87Å; Y72-A75 PolarHBondContact O-N 3.45Å; A75-V78 PolarHBondContact O-N 2.81Å; A75-G79 PolarHBondContact O-N 3.41Å |
| 76 | A | 96.4 | Very high | 95 | Very high | 65 Ų | 65 | 94 Ų | 94 | 54% | 0.537 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y72 I73 A74 G79 M80 | Y72-A76 WeakPolarHBondContact O-CB 3.18Å; Y72-A76 PolarHBondContact O-N 2.89Å; I73-A76 PolarHBondContact O-N 2.83Å; A74-A76 PolarHBondContact O-N 2.78Å; A76-G79 PolarHBondContact O-N 3.07Å; A76-M80 WeakPolarHBondContact O-CB 3.4Å; A76-M80 PolarHBondContact O-N 3.03Å |
| 77 | G | 96.9 | Very high | 95.2 | Very high | 33 Ų | 33 | 93.6 Ų | 93.6 | 34% | 0.34 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I73 A74 G79 M80 I81 | I73-G77 PolarHBondContact O-N 2.9Å; A74-G77 PolarHBondContact O-N 2.78Å; G77-G79 VanDerWaalsContact C-N 3.33Å; G77-G79 PolarHBondContact O-N 2.94Å; G77-M80 PolarHBondContact O-N 3.01Å; G77-I81 WeakPolarHBondContact O-CG1 3.24Å; G77-I81 PolarHBondContact O-N 3.01Å; G77-I81 VanDerWaalsContact O-N 3.1Å |
| 78 | V | 96.7 | Very high | 95.2 | Very high | 107 Ų | 107 | 90.1 Ų | 90.1 | 65% | 0.648 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.8 | -41.4 | 176.3 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | A74 A75 M80 I81 G82 | A74-V78 WeakPolarHBondContact O-CG2 3.38Å; A74-V78 PolarHBondContact O-N 3.3Å; A75-V78 PolarHBondContact O-N 2.81Å; V78-M80 PolarHBondContact O-N 3.09Å; V78-I81 PolarHBondContact O-N 2.91Å; V78-G82 PolarHBondContact O-N 3.32Å |
| 79 | G | 96.9 | Very high | 95.1 | Very high | 35 Ų | 35 | 90 Ų | 90 | 36% | 0.361 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | A75 A76 G77 G82 L83 | A75-G79 PolarHBondContact O-N 3.41Å; A76-G79 PolarHBondContact O-N 3.07Å; G77-G79 VanDerWaalsContact C-N 3.33Å; G77-G79 PolarHBondContact O-N 2.94Å; G79-G82 PolarHBondContact O-N 2.82Å; G79-L83 WeakPolarHBondContact O-CB 3.38Å; G79-L83 WeakPolarHBondContact O-CG 3.45Å; G79-L83 PolarHBondContact O-N 2.89Å |
| 80 | M | 96.8 | Very high | 94.9 | Very high | 135 Ų | 135 | 92.1 Ų | 92.1 | 67% | 0.665 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65 | -40.2 | 178.4 | -173.7 | 176.2 | -78.5 | 0 | 0 | 112.3 | A76 G77 V78 S84 | A76-M80 WeakPolarHBondContact O-CB 3.4Å; A76-M80 PolarHBondContact O-N 3.03Å; G77-M80 PolarHBondContact O-N 3.01Å; V78-M80 PolarHBondContact O-N 3.09Å; M80-S84 WeakPolarHBondContact O-CB 3.31Å; M80-S84 PolarHBondContact O-N 3.05Å; M80-S84 PolarHBondContact O-OG 3.14Å |
| 81 | I | 96.5 | Very high | 94.5 | Very high | 123 Ų | 123 | 93.7 Ų | 93.7 | 63% | 0.631 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.3 | -44.9 | 175.6 | -65.2 | 167.6 | 0 | 0 | 0 | 110.4 | G77 V78 L83 S84 Y85 | G77-I81 WeakPolarHBondContact O-CG1 3.24Å; G77-I81 PolarHBondContact O-N 3.01Å; G77-I81 VanDerWaalsContact O-N 3.1Å; V78-I81 PolarHBondContact O-N 2.91Å; I81-L83 PolarHBondContact O-N 1.98Å; I81-S84 PolarHBondContact O-N 3.03Å; I81-Y85 PolarHBondContact O-N 2.88Å |
| 82 | G | 96.3 | Very high | 93.9 | Very high | 41 Ų | 41 | 97.1 Ų | 97.1 | 42% | 0.423 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V78 G79 S84 Y85 A86 | V78-G82 PolarHBondContact O-N 3.32Å; G79-G82 PolarHBondContact O-N 2.82Å; G82-S84 VanDerWaalsContact C-N 3.35Å; G82-S84 PolarHBondContact O-N 3.1Å; G82-Y85 PolarHBondContact O-N 2.98Å; G82-A86 WeakPolarHBondContact O-CB 3.41Å; G82-A86 PolarHBondContact O-N 2.82Å |
| 83 | L | 95.5 | Very high | 93.3 | Very high | 131 Ų | 131 | 94.2 Ų | 94.2 | 69% | 0.686 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64 | -39.8 | 176.5 | -73.8 | 172.1 | 0 | 0 | 0 | 112.2 | G79 I81 A86 S87 | G79-L83 WeakPolarHBondContact O-CB 3.38Å; G79-L83 WeakPolarHBondContact O-CG 3.45Å; G79-L83 PolarHBondContact O-N 2.89Å; I81-L83 PolarHBondContact O-N 1.98Å; L83-A86 PolarHBondContact O-N 2.87Å; L83-S87 PolarHBondContact O-N 2.75Å |
| 84 | S | 95.6 | Very high | 92.7 | Very high | 73 Ų | 73 | 95.5 Ų | 95.5 | 51% | 0.51 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 177.1 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | M80 I81 G82 S87 | M80-S84 WeakPolarHBondContact O-CB 3.31Å; M80-S84 PolarHBondContact O-N 3.05Å; M80-S84 PolarHBondContact O-OG 3.14Å; I81-S84 PolarHBondContact O-N 3.03Å; G82-S84 VanDerWaalsContact C-N 3.35Å; G82-S84 PolarHBondContact O-N 3.1Å; S84-S87 PolarHBondContact O-N 2.98Å; S84-S87 PolarHBondContact O-OG 2.93Å |
| 85 | Y | 95.2 | Very high | 92 | Very high | 194 Ų | 194 | 93.5 Ų | 93.5 | 76% | 0.761 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.8 | -38.5 | 177.2 | -172.5 | -99.2 | 0 | 0 | 0 | 112.8 | I81 G82 S87 P89 | I81-Y85 PolarHBondContact O-N 2.88Å; G82-Y85 PolarHBondContact O-N 2.98Å; Y85-S87 VanDerWaalsContact C-N 3.32Å; Y85-S87 PolarHBondContact O-N 3.36Å; Y85-P89 WeakPolarHBondContact O-CD 3.37Å |
| 86 | A | 95.3 | Very high | 91 | Very high | 47 Ų | 47 | 96.3 Ų | 96.3 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.3 | -21.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G82 L83 V88 P89 L90 | G82-A86 WeakPolarHBondContact O-CB 3.41Å; G82-A86 PolarHBondContact O-N 2.82Å; L83-A86 PolarHBondContact O-N 2.87Å; A86-V88 VanDerWaalsContact C-N 3.32Å; A86-V88 PolarHBondContact O-N 3.25Å; A86-P89 VanDerWaalsContact O-CD 3.27Å; A86-P89 WeakPolarHBondContact O-CD 3.36Å; A86-P89 WeakPolarHBondContact O-CG 3.49Å; A86-L90 WeakPolarHBondContact O-CB 3.47Å; A86-L90 PolarHBondContact O-N 2.94Å |
| 87 | S | 94.1 | Very high | 90.2 | Very high | 64 Ų | 64 | 97.4 Ų | 97.4 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61 | -38.2 | -178.1 | 71.1 | 0 | 0 | 0 | 0 | 113.3 | L83 S84 Y85 L90 Y91 | L83-S87 PolarHBondContact O-N 2.75Å; S84-S87 PolarHBondContact O-N 2.98Å; S84-S87 PolarHBondContact O-OG 2.93Å; Y85-S87 VanDerWaalsContact C-N 3.32Å; Y85-S87 PolarHBondContact O-N 3.36Å; S87-L90 PolarHBondContact O-N 2.94Å; S87-Y91 WeakPolarHBondContact O-CB 3.19Å; S87-Y91 PolarHBondContact O-N 2.85Å |
| 88 | V | 91.1 | Very high | 89.2 | Confident | 75 Ų | 75 | 98.1 Ų | 98.1 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.1 | -55.5 | -177.1 | 178.3 | 0 | 0 | 0 | 0 | 112.5 | A86 L90 Y91 R92 | A86-V88 VanDerWaalsContact C-N 3.32Å; A86-V88 PolarHBondContact O-N 3.25Å; V88-L90 VanDerWaalsContact C-N 3.31Å; V88-L90 PolarHBondContact O-N 2.96Å; V88-Y91 PolarHBondContact O-N 3.4Å; V88-R92 WeakPolarHBondContact O-CG 3.39Å; V88-R92 PolarHBondContact O-N 3.46Å |
| 89 | P | 88 | Confident | 87.8 | Confident | 65 Ų | 65 | 94.3 Ų | 94.3 | 42% | 0.422 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.4 | -34.1 | 177.3 | 25.1 | -34.3 | 0 | 0 | 0 | 112.4 | Y85 A86 Y91 R92 L93 | Y85-P89 WeakPolarHBondContact O-CD 3.37Å; A86-P89 VanDerWaalsContact O-CD 3.27Å; A86-P89 WeakPolarHBondContact O-CD 3.36Å; A86-P89 WeakPolarHBondContact O-CG 3.49Å; P89-Y91 VanDerWaalsContact C-N 3.34Å; P89-Y91 PolarHBondContact O-N 2.88Å; P89-R92 PolarHBondContact O-N 3.38Å; P89-L93 WeakPolarHBondContact O-CG 3.22Å; P89-L93 PolarHBondContact O-N 3.07Å |
| 90 | L | 89.1 | Confident | 86.2 | Confident | 125 Ų | 125 | 98 Ų | 98 | 65% | 0.654 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.8 | -41 | 176.4 | -157.2 | 104 | 0 | 0 | 0 | 111.5 | A86 S87 V88 L93 Y94 | A86-L90 WeakPolarHBondContact O-CB 3.47Å; A86-L90 PolarHBondContact O-N 2.94Å; S87-L90 PolarHBondContact O-N 2.94Å; V88-L90 VanDerWaalsContact C-N 3.31Å; V88-L90 PolarHBondContact O-N 2.96Å; L90-L93 PolarHBondContact O-N 2.91Å; L90-Y94 WeakPolarHBondContact O-CB 3.47Å; L90-Y94 PolarHBondContact O-N 3.29Å |
| 91 | Y | 85.7 | Confident | 84.3 | Confident | 154 Ų | 154 | 94 Ų | 94 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.2 | -42.5 | 174.2 | -176.4 | -103.5 | 0 | 0 | 0 | 111.6 | S87 V88 P89 L93 Y94 C95 | S87-Y91 WeakPolarHBondContact O-CB 3.19Å; S87-Y91 PolarHBondContact O-N 2.85Å; V88-Y91 PolarHBondContact O-N 3.4Å; P89-Y91 VanDerWaalsContact C-N 3.34Å; P89-Y91 PolarHBondContact O-N 2.88Å; Y91-L93 PolarHBondContact O-N 3.3Å; Y91-Y94 PolarHBondContact O-N 2.85Å; Y91-C95 WeakPolarHBondContact CE1-SG 3.3Å; Y91-C95 WeakPolarHBondContact O-CB 3.49Å; Y91-C95 PolarHBondContact O-N 3.34Å; Y91-C95 PolarHBondContact O-SG 2.93Å; Y91-C95 VanDerWaalsContact O-SG 3.36Å |
| 92 | R | 81.9 | Confident | 82.3 | Confident | 168 Ų | 168 | 90.1 Ų | 90.1 | 63% | 0.634 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60 | -44.9 | 175.9 | -71.9 | 179.3 | -179.6 | 170.5 | -0.1 | 112.3 | V88 P89 Y94 C95 Q96 | V88-R92 WeakPolarHBondContact O-CG 3.39Å; V88-R92 PolarHBondContact O-N 3.46Å; P89-R92 PolarHBondContact O-N 3.38Å; R92-Y94 VanDerWaalsContact C-N 3.33Å; R92-Y94 PolarHBondContact O-N 3.04Å; R92-C95 PolarHBondContact O-N 3.35Å; R92-Q96 WeakPolarHBondContact O-CB 3.46Å; R92-Q96 VanDerWaalsContact O-CG 3.29Å; R92-Q96 WeakPolarHBondContact O-CG 3.23Å; R92-Q96 PolarHBondContact O-N 3.23Å |
| 93 | L | 83.6 | Confident | 79.9 | Confident | 111 Ų | 111 | 92.2 Ų | 92.2 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.8 | -40.3 | 176.4 | -74.3 | 167.5 | 0 | 0 | 0 | 111.8 | P89 L90 Y91 Q96 A97 | P89-L93 WeakPolarHBondContact O-CG 3.22Å; P89-L93 PolarHBondContact O-N 3.07Å; L90-L93 PolarHBondContact O-N 2.91Å; Y91-L93 PolarHBondContact O-N 3.3Å; L93-Q96 PolarHBondContact O-N 3.13Å; L93-A97 WeakPolarHBondContact O-CB 3.43Å; L93-A97 PolarHBondContact O-N 3.21Å |
| 94 | Y | 84.1 | Confident | 77.6 | Confident | 139 Ų | 139 | 90.7 Ų | 90.7 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 175.1 | -179.5 | -92.5 | 0 | 0 | 0 | 112 | L90 Y91 R92 Q96 A97 T98 | L90-Y94 WeakPolarHBondContact O-CB 3.47Å; L90-Y94 PolarHBondContact O-N 3.29Å; Y91-Y94 PolarHBondContact O-N 2.85Å; R92-Y94 VanDerWaalsContact C-N 3.33Å; R92-Y94 PolarHBondContact O-N 3.04Å; Y94-Q96 VanDerWaalsContact C-N 3.32Å; Y94-Q96 PolarHBondContact O-N 3.28Å; Y94-A97 PolarHBondContact O-N 2.76Å; Y94-T98 HydrophobicContact CD1-CG2 4.43Å; Y94-T98 HydrophobicContact CD2-CG2 4.23Å; Y94-T98 HydrophobicContact CE1-CG2 4.04Å; Y94-T98 HydrophobicContact CE2-CG2 3.83Å; Y94-T98 WeakPolarHBondContact O-CB 3.47Å; Y94-T98 WeakPolarHBondContact O-CG2 3Å; Y94-T98 PolarHBondContact O-N 2.85Å; Y94-T98 PolarHBondContact O-OG1 3.41Å |
| 95 | C | 79.7 | Confident | 75.3 | Confident | 15 Ų | 15 | 93.1 Ų | 93.1 | 10% | 0.101 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 176.9 | -73.3 | 0 | 0 | 0 | 0 | 112.3 | Y91 R92 G99 L100 | Y91-C95 WeakPolarHBondContact CE1-SG 3.3Å; Y91-C95 WeakPolarHBondContact O-CB 3.49Å; Y91-C95 PolarHBondContact O-N 3.34Å; Y91-C95 PolarHBondContact O-SG 2.93Å; Y91-C95 VanDerWaalsContact O-SG 3.36Å; R92-C95 PolarHBondContact O-N 3.35Å; C95-G99 WeakPolarHBondContact O-CA 3.09Å; C95-G99 PolarHBondContact O-N 3.49Å; C95-L100 WeakPolarHBondContact CB-O 3.25Å; C95-L100 PolarHBondContact O-N 3.39Å; C95-L100 PolarHBondContact SG-O 3.4Å |
| 96 | Q | 75.9 | Confident | 72.8 | Confident | 122 Ų | 122 | 89.2 Ų | 89.2 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66 | -44.6 | 173.8 | -76.6 | 176.3 | -27.2 | 0 | 0 | 112.1 | R92 L93 Y94 T98 T103 | R92-Q96 WeakPolarHBondContact O-CB 3.46Å; R92-Q96 VanDerWaalsContact O-CG 3.29Å; R92-Q96 WeakPolarHBondContact O-CG 3.23Å; R92-Q96 PolarHBondContact O-N 3.23Å; L93-Q96 PolarHBondContact O-N 3.13Å; Y94-Q96 VanDerWaalsContact C-N 3.32Å; Y94-Q96 PolarHBondContact O-N 3.28Å; Q96-T98 VanDerWaalsContact C-N 3.35Å; Q96-T98 PolarHBondContact O-N 3.34Å; Q96-T103 HydrophobicContact CG-CG2 3.61Å |
| 97 | A | 78.4 | Confident | 70.3 | Confident | 88 Ų | 88 | 88.8 Ų | 88.8 | 73% | 0.727 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70.9 | -29.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L93 Y94 | L93-A97 WeakPolarHBondContact O-CB 3.43Å; L93-A97 PolarHBondContact O-N 3.21Å; Y94-A97 PolarHBondContact O-N 2.76Å |
| 98 | T | 77.6 | Confident | 68 | Low | 48 Ų | 48 | 93.6 Ų | 93.6 | 29% | 0.294 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -101.6 | -9.7 | -176.8 | 58.7 | 0 | 0 | 0 | 0 | 114.1 | Y94 Q96 L100 | Y94-T98 HydrophobicContact CD1-CG2 4.43Å; Y94-T98 HydrophobicContact CD2-CG2 4.23Å; Y94-T98 HydrophobicContact CE1-CG2 4.04Å; Y94-T98 HydrophobicContact CE2-CG2 3.83Å; Y94-T98 WeakPolarHBondContact O-CB 3.47Å; Y94-T98 WeakPolarHBondContact O-CG2 3Å; Y94-T98 PolarHBondContact O-N 2.85Å; Y94-T98 PolarHBondContact O-OG1 3.41Å; Q96-T98 VanDerWaalsContact C-N 3.35Å; Q96-T98 PolarHBondContact O-N 3.34Å; T98-L100 PolarHBondContact O-N 3.35Å |
| 99 | G | 65.9 | Low | 66 | Low | 27 Ų | 27 | 93.9 Ų | 93.9 | 28% | 0.278 | 55% | 0.551 | S | S | . | * | trans | 69.9 | 2.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | C95 G101 | C95-G99 WeakPolarHBondContact O-CA 3.09Å; C95-G99 PolarHBondContact O-N 3.49Å; G99-G101 VanDerWaalsContact C-N 3.33Å; G99-G101 PolarHBondContact O-N 3.47Å | ||
| 100 | L | 63.9 | Low | 64.3 | Low | 113 Ų | 113 | 94.7 Ų | 94.7 | 59% | 0.592 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 79.8 | 176.2 | -83.3 | 138 | 0 | 0 | 0 | 109.5 | C95 T98 | C95-L100 WeakPolarHBondContact CB-O 3.25Å; C95-L100 PolarHBondContact O-N 3.39Å; C95-L100 PolarHBondContact SG-O 3.4Å; T98-L100 PolarHBondContact O-N 3.35Å |
| 101 | G | 57.6 | Low | 62.4 | Low | 51 Ų | 51 | 94.8 Ų | 94.8 | 53% | 0.526 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 160.7 | -3.1 | 173 | 0 | 0 | 0 | 0 | 0 | 117.1 | G99 | G99-G101 VanDerWaalsContact C-N 3.33Å; G99-G101 PolarHBondContact O-N 3.47Å |
| 102 | G | 54.9 | Low | 60.7 | Low | 41 Ų | 41 | 92.2 Ų | 92.2 | 42% | 0.423 | 55% | 0.549 | S | S | . | . | trans | 53 | 77.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | A104 | G102-A104 PolarHBondContact O-N 2.97Š| ||
| 103 | T | 45.7 | Very low | 59.4 | Low | 85 Ų | 85 | 86.4 Ų | 86.4 | 52% | 0.521 | 53% | 0.532 | S | S | . | . | trans | -54.1 | 113.8 | 177.2 | 41.5 | 0 | 0 | 0 | 0 | 109.3 | Q96 V105 | Q96-T103 HydrophobicContact CG-CG2 3.61Å; T103-V105 PolarHBondContact O-N 3.29Å | ||
| 104 | A | 46.3 | Very low | 58 | Low | 99 Ų | 99 | 90 Ų | 90 | 82% | 0.818 | 55% | 0.546 | S | S | * | . | trans | -59.5 | 94.5 | 162 | 0 | 0 | 0 | 0 | 0 | 107 | G102 A106 | G102-A104 PolarHBondContact O-N 2.97Å; A104-A106 PolarHBondContact O-N 2.86Å | ||
| 105 | V | 47.1 | Very low | 56.5 | Low | 125 Ų | 125 | 89 Ų | 89 | 76% | 0.758 | 56% | 0.555 | S | S | * | * | trans | -58.8 | 111.4 | 157.6 | -135.4 | 0 | 0 | 0 | 0 | 103.9 | T103 G107 | T103-V105 PolarHBondContact O-N 3.29Å; V105-G107 PolarHBondContact O-N 3.37Å | ||
| 106 | A | 42.9 | Very low | 55.2 | Low | 111 Ų | 111 | 90.1 Ų | 90.1 | 92% | 0.917 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -66.5 | 87 | 171.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | A104 | A104-A106 PolarHBondContact O-N 2.86Š|
| 107 | G | 43.4 | Very low | 54.2 | Low | 39 Ų | 39 | 93 Ų | 93 | 40% | 0.402 | 57% | 0.569 | S | S | . | * | trans | 165.6 | 90.5 | -174 | 0 | 0 | 0 | 0 | 0 | 109.5 | V105 D109 | V105-G107 PolarHBondContact O-N 3.37Å; G107-D109 PolarHBondContact O-N 2.86Å | ||
| 108 | H | 44.5 | Very low | 53.2 | Low | 164 Ų | 164 | 91.6 Ų | 91.6 | 76% | 0.759 | 55% | 0.553 | S | S | * | * | trans | -64.8 | 78.9 | 152.5 | -86.6 | -85.1 | 0 | 0 | 0 | 106.8 | T110 | H108-T110 VanDerWaalsContact C-N 3.27Å; H108-T110 PolarHBondContact O-N 2.82Å | ||
| 109 | D | 48.7 | Very low | 52.4 | Low | 81 Ų | 81 | 91.4 Ų | 91.4 | 43% | 0.433 | 55% | 0.552 | S | S | . | * | trans | -78 | 83.9 | 177.1 | -87.4 | -17 | 0 | 0 | 0 | 108.8 | G107 D111 Q112 | G107-D109 PolarHBondContact O-N 2.86Å; D109-D111 PolarHBondContact O-N 2.88Å; D109-Q112 HydrophobicContact CB-CG 4.02Å; D109-Q112 PolarHBondContact OD2-NE2 2.66Å | ||
| 110 | T | 53.2 | Low | 52.2 | Low | 83 Ų | 83 | 98.1 Ų | 98.1 | 51% | 0.509 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -62 | -19.1 | 167.6 | 46.9 | 0 | 0 | 0 | 0 | 112.3 | H108 I189 | H108-T110 VanDerWaalsContact C-N 3.27Å; H108-T110 PolarHBondContact O-N 2.82Å; T110-I189 HydrophobicContact CG2-CG2 4.5Å |
| 111 | D | 48.8 | Very low | 52.6 | Low | 127 Ų | 127 | 101.5 Ų | 101.5 | 68% | 0.679 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -81.9 | -19.3 | -174.1 | -60.6 | -14.2 | 0 | 0 | 0 | 113.2 | D109 V113 | D109-D111 PolarHBondContact O-N 2.88Å; D111-V113 VanDerWaalsContact C-N 3.26Å; D111-V113 PolarHBondContact O-N 3.37Å |
| 112 | Q | 50.7 | Low | 53.8 | Low | 100 Ų | 100 | 100.5 Ų | 100.5 | 47% | 0.467 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -75.5 | -15.2 | 178.1 | -69.5 | -170 | 62 | 0 | 0 | 113.1 | D109 E114 T115 M116 | D109-Q112 HydrophobicContact CB-CG 4.02Å; D109-Q112 PolarHBondContact OD2-NE2 2.66Å; Q112-E114 VanDerWaalsContact C-N 3.29Å; Q112-E114 PolarHBondContact O-N 3.07Å; Q112-T115 PolarHBondContact O-N 3.03Å; Q112-M116 HydrophobicContact CB-CE 4.14Å; Q112-M116 WeakPolarHBondContact O-CG 2.99Å |
| 113 | V | 55.2 | Low | 55.5 | Low | 45 Ų | 45 | 103.6 Ų | 103.6 | 27% | 0.273 | 57% | 0.572 | S | S | . | * | G | 310 helix | trans | -66.3 | -30.2 | -178.7 | -177.3 | 0 | 0 | 0 | 0 | 112.1 | D111 T115 T154 I189 Y212 | D111-V113 VanDerWaalsContact C-N 3.26Å; D111-V113 PolarHBondContact O-N 3.37Å; V113-T115 VanDerWaalsContact C-N 3.31Å; V113-T115 PolarHBondContact O-N 3.27Å; V113-T154 HydrophobicContact CG1-CG2 3.64Å; V113-I189 HydrophobicContact CG2-CD1 4.09Å; V113-Y212 HydrophobicContact CG2-CE1 4.05Å |
| 114 | E | 53.9 | Low | 57.8 | Low | 187 Ų | 187 | 99.5 Ų | 99.5 | 87% | 0.874 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -76.6 | -15.8 | -176.8 | -62.9 | -162 | 156.1 | 0 | 0 | 114 | Q112 | Q112-E114 VanDerWaalsContact C-N 3.29Å; Q112-E114 PolarHBondContact O-N 3.07Å |
| 115 | T | 51.9 | Low | 60.1 | Low | 118 Ų | 118 | 97.7 Ų | 97.7 | 72% | 0.724 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -5.9 | -171.8 | -21.6 | 0 | 0 | 0 | 0 | 114 | Q112 V113 K117 | Q112-T115 PolarHBondContact O-N 3.03Å; V113-T115 VanDerWaalsContact C-N 3.31Å; V113-T115 PolarHBondContact O-N 3.27Å; T115-K117 PolarHBondContact O-N 3.04Å |
| 116 | M | 53.1 | Low | 62.5 | Low | 38 Ų | 38 | 91.7 Ų | 91.7 | 19% | 0.187 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 128.2 | -178.8 | -73.2 | 178.8 | -177.2 | 0 | 0 | 111.1 | Q112 Y212 P215 | Q112-M116 HydrophobicContact CB-CE 4.14Å; Q112-M116 WeakPolarHBondContact O-CG 2.99Å; M116-Y212 HydrophobicContact CE-CE2 3.88Å; M116-Y212 HydrophobicContact SD-CD2 4.23Å; M116-Y212 HydrophobicContact SD-CE2 3.96Å; M116-P215 HydrophobicContact CG-CG 4.14Å; M116-P215 VanDerWaalsContact SD-CD 3.55Å; M116-P215 HydrophobicContact SD-CG 4.1Å |
| 117 | K | 55.5 | Low | 65 | Low | 183 Ų | 183 | 87.9 Ų | 87.9 | 80% | 0.796 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -90.9 | 117.1 | 169.3 | -73.6 | -178.8 | 179.7 | 175 | 0 | 108.1 | T115 V119 | T115-K117 PolarHBondContact O-N 3.04Å; K117-V119 PolarHBondContact O-N 3.42Å |
| 118 | P | 55.7 | Low | 67.5 | Low | 59 Ų | 59 | 86.3 Ų | 86.3 | 38% | 0.383 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 129.5 | 179.6 | 24.3 | -32.2 | 0 | 0 | 0 | 110.1 | K120 | P118-K120 VanDerWaalsContact C-N 3.31Å; P118-K120 PolarHBondContact O-N 3.25Å |
| 119 | V | 61.7 | Low | 69.9 | Low | 44 Ų | 44 | 81.5 Ų | 81.5 | 27% | 0.267 | 41% | 0.411 | S | S | . | . | trans | -80.9 | 83.7 | 172.9 | -176.7 | 0 | 0 | 0 | 0 | 107.5 | K117 E121 R122 V150 P151 | K117-V119 PolarHBondContact O-N 3.42Å; V119-E121 PolarHBondContact O-N 2.87Å; V119-R122 PolarHBondContact O-N 2.92Å; V119-V150 WeakPolarHBondContact O-CG1 2.93Å; V119-P151 PolarHBondContact N-O 3.21Å | ||
| 120 | K | 60.7 | Low | 72.1 | Confident | 167 Ų | 167 | 78.4 Ų | 78.4 | 73% | 0.726 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -9.8 | -169 | -67.5 | -174.1 | 179.7 | -177.5 | 0 | 116.2 | P118 | P118-K120 VanDerWaalsContact C-N 3.31Å; P118-K120 PolarHBondContact O-N 3.25Å |
| 121 | E | 72.8 | Confident | 74 | Confident | 184 Ų | 184 | 78 Ų | 78 | 86% | 0.86 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -11.8 | -168.2 | -71.7 | 145.6 | -154 | 0 | 0 | 113.4 | V119 | V119-E121 PolarHBondContact O-N 2.87Š|
| 122 | R | 83.3 | Confident | 76.1 | Confident | 31 Ų | 31 | 74.9 Ų | 74.9 | 12% | 0.117 | 38% | 0.377 | C | S | . | . | trans | -120.8 | 108.4 | -177.5 | -167.5 | 165.5 | -174.6 | -172.9 | -6.8 | 113.2 | V119 I124 P151 D218 M223 A224 V226 | V119-R122 PolarHBondContact O-N 2.92Å; R122-I124 HydrophobicContact CG-CD1 3.97Å; R122-P151 WeakPolarHBondContact O-CD 3.36Å; R122-D218 WeakPolarHBondContact CD-OD1 3.27Å; R122-D218 IonicContact CZ-OD1 3.01Å; R122-D218 IonicContact NE-OD1 3.89Å; R122-D218 IonicContact NH1-OD1 3.32Å; R122-D218 PolarHBondContact NH1-OD1 3.43Å; R122-M223 PolarHBondContact NH2-O 2.83Å; R122-A224 VanDerWaalsContact NH2-C 3.34Å; R122-A224 PolarHBondContact NH2-O 3.03Å; R122-V226 PolarHBondContact NH2-O 2.94Å | ||
| 123 | I | 90.6 | Very high | 78 | Confident | 105 Ų | 105 | 74.3 Ų | 74.3 | 54% | 0.538 | 38% | 0.375 | S | S | . | . | trans | -91.9 | 122 | 178.2 | -56.6 | 174.1 | 0 | 0 | 0 | 109 | Y148 | I123-Y148 HydrophobicContact CG2-CD1 3.85Å; I123-Y148 HydrophobicContact CG2-CG 4.25Å | ||
| 124 | I | 93.4 | Very high | 79.4 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131 | 175.7 | -54.2 | -59.1 | 0 | 0 | 0 | 109.3 | R122 V149 P151 I213 F217 I229 | R122-I124 HydrophobicContact CG-CD1 3.97Å; I124-V149 PolarHBondContact N-O 2.93Å; I124-V149 PolarHBondContact O-N 2.89Å; I124-P151 HydrophobicContact CG1-CG 4.19Å; I124-I213 HydrophobicContact CB-CD1 3.96Å; I124-I213 HydrophobicContact CG1-CD1 4.32Å; I124-I213 HydrophobicContact CG2-CD1 3.9Å; I124-F217 HydrophobicContact CD1-CD1 4.39Å; I124-F217 HydrophobicContact CD1-CE1 3.63Å; I124-F217 HydrophobicContact CD1-CZ 4.3Å; I124-F217 HydrophobicContact CG1-CE1 4.17Å; I124-I229 HydrophobicContact CG2-CD1 3.88Å; I124-I229 HydrophobicContact CG2-CG1 3.93Å |
| 125 | K | 95.8 | Very high | 80.9 | Confident | 60 Ų | 60 | 69.9 Ų | 69.9 | 26% | 0.261 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 117 | 173.5 | -173.4 | 175.6 | 69.5 | 166.6 | 0 | 110 | E146 Y148 D227 T228 I229 | K125-E146 HydrophobicContact CG-CB 4.38Å; K125-E146 IonicContact NZ-OE2 3.41Å; K125-Y148 HydrophobicContact CB-CD1 4.15Å; K125-Y148 HydrophobicContact CB-CE1 3.91Å; K125-Y148 HydrophobicContact CD-CE1 3.92Å; K125-Y148 HydrophobicContact CG-CD1 4.33Å; K125-Y148 HydrophobicContact CG-CE1 3.83Å; K125-D227 PolarHBondContact N-O 3.47Å; K125-T228 WeakPolarHBondContact CE-OG1 3.47Å; K125-T228 CarbonylContact O-C 3.51Å; K125-T228 VanDerWaalsContact O-CA 3.24Å; K125-T228 WeakPolarHBondContact O-CA 3.41Å; K125-I229 PolarHBondContact O-N 2.8Å |
| 126 | V | 95.8 | Very high | 82.7 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 117.5 | 173.1 | -178 | 0 | 0 | 0 | 0 | 108.9 | F128 E146 I147 V149 F186 F211 I213 I229 | V126-F128 HydrophobicContact CB-CZ 4.36Å; V126-F128 HydrophobicContact CG1-CD1 4.46Å; V126-F128 HydrophobicContact CG1-CE1 3.79Å; V126-F128 HydrophobicContact CG1-CE2 4.33Å; V126-F128 HydrophobicContact CG1-CZ 3.71Å; V126-E146 CarbonylContact O-C 3.57Å; V126-E146 WeakPolarHBondContact O-CA 3.23Å; V126-I147 HydrophobicContact CB-CG1 4.12Å; V126-I147 PolarHBondContact N-O 3.29Å; V126-I147 PolarHBondContact O-N 3.49Å; V126-V149 HydrophobicContact CG2-CG2 3.62Å; V126-F186 HydrophobicContact CG1-CE2 4.38Å; V126-F211 HydrophobicContact CB-CZ 4.37Å; V126-F211 HydrophobicContact CG1-CE2 4.31Å; V126-F211 HydrophobicContact CG1-CZ 3.96Å; V126-F211 HydrophobicContact CG2-CE2 4.17Å; V126-F211 HydrophobicContact CG2-CZ 4.37Å; V126-I213 HydrophobicContact CG2-CD1 4.18Å; V126-I229 CarbonylContact C-O 3.54Å; V126-I229 VanDerWaalsContact CA-O 3.27Å; V126-I229 WeakPolarHBondContact CA-O 3.3Å |
| 127 | T | 96.4 | Very high | 84.5 | Confident | 30 Ų | 30 | 69.1 Ų | 69.1 | 18% | 0.184 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 136.2 | 176.6 | -53 | 0 | 0 | 0 | 0 | 109.7 | T145 I229 T230 L231 | T127-T145 CarbonylContact C-O 3.56Å; T127-T145 WeakPolarHBondContact CA-O 3.25Å; T127-I229 PolarHBondContact N-O 3.06Å; T127-T230 CarbonylContact O-C 3.54Å; T127-T230 VanDerWaalsContact O-CA 3.3Å; T127-T230 WeakPolarHBondContact O-CA 3.14Å; T127-L231 PolarHBondContact O-N 3.32Å |
| 128 | F | 95.6 | Very high | 86.3 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 123.4 | -179.6 | -58.9 | -74.6 | 0 | 0 | 0 | 110.3 | V126 P142 Q144 T145 I147 A157 Y159 F211 L231 | V126-F128 HydrophobicContact CB-CZ 4.36Å; V126-F128 HydrophobicContact CG1-CD1 4.46Å; V126-F128 HydrophobicContact CG1-CE1 3.79Å; V126-F128 HydrophobicContact CG1-CE2 4.33Å; V126-F128 HydrophobicContact CG1-CZ 3.71Å; F128-P142 HydrophobicContact CB-CB 3.9Å; F128-Q144 HydrophobicContact CD2-CG 4.26Å; F128-Q144 VanDerWaalsContact CD2-O 3.22Å; F128-Q144 WeakPolarHBondContact CD2-O 3.41Å; F128-Q144 HydrophobicContact CE2-CG 4.26Å; F128-T145 PolarHBondContact N-O 2.69Å; F128-I147 HydrophobicContact CE2-CB 4.27Å; F128-I147 HydrophobicContact CE2-CD1 3.95Å; F128-I147 HydrophobicContact CE2-CG1 3.66Å; F128-I147 HydrophobicContact CE2-CG2 3.99Å; F128-I147 HydrophobicContact CZ-CD1 3.73Å; F128-I147 HydrophobicContact CZ-CG1 3.82Å; F128-A157 HydrophobicContact CD1-CB 4.23Å; F128-A157 HydrophobicContact CE1-CB 3.58Å; F128-A157 HydrophobicContact CE2-CB 3.91Å; F128-A157 HydrophobicContact CZ-CB 3.39Å; F128-Y159 HydrophobicContact CB-CE1 4.41Å; F128-Y159 WeakPolarHBondContact CB-OH 3.38Å; F128-Y159 HydrophobicContact CD1-CE2 4.29Å; F128-Y159 WeakPolarHBondContact CD1-OH 3.5Å; F128-F211 AromaticContact CE1-CE1 3.82Å; F128-F211 HydrophobicContact CE1-CE1 3.82Å; F128-F211 HydrophobicContact CE1-CZ 4.11Å; F128-F211 AromaticContact CZ-CE1 3.75Å; F128-F211 HydrophobicContact CZ-CE1 3.75Å; F128-F211 AromaticContact CZ-CZ 3.81Å; F128-F211 HydrophobicContact CZ-CZ 3.81Å; F128-L231 WeakPolarHBondContact CA-O 3.45Å; F128-L231 HydrophobicContact CD1-CB 4.14Å; F128-L231 HydrophobicContact CD1-CD2 4.07Å; F128-L231 HydrophobicContact CE1-CB 4.43Å; F128-L231 HydrophobicContact CE1-CD2 3.98Å |
| 129 | N | 95.1 | Very high | 88.1 | Confident | 63 Ų | 63 | 62.1 Ų | 62.1 | 34% | 0.337 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 147.7 | 173 | -176.6 | 34.6 | 0 | 0 | 0 | 110.4 | D131 T230 L231 S232 Y233 | N129-D131 PolarHBondContact ND2-OD2 2.81Å; N129-T230 HydrophobicContact CB-CG2 4.37Å; N129-L231 PolarHBondContact N-O 3.27Å; N129-S232 WeakPolarHBondContact CB-OG 3.45Å; N129-Y233 PolarHBondContact O-N 3.41Å; N129-Y233 VanDerWaalsContact O-N 3.07Å |
| 130 | A | 93.9 | Very high | 89.7 | Confident | 16 Ų | 16 | 60.8 Ų | 60.8 | 13% | 0.132 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 119.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | F140 Y159 | A130-F140 HydrophobicContact CB-CD1 3.49Å; A130-F140 VanDerWaalsContact CB-CD1 3.49Å; A130-F140 HydrophobicContact CB-CE1 3.41Å; A130-F140 VanDerWaalsContact CB-CE1 3.41Å; A130-F140 HydrophobicContact CB-CG 4.24Å; A130-F140 HydrophobicContact CB-CZ 4.13Å; A130-Y159 HydrophobicContact CB-CD1 4.07Å; A130-Y159 HydrophobicContact CB-CE1 4.01Å |
| 131 | D | 93.8 | Very high | 91.3 | Very high | 76 Ų | 76 | 58.7 Ų | 58.7 | 41% | 0.406 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 154.4 | 179.1 | -70.2 | -65.2 | 0 | 0 | 0 | 110.4 | N129 Y233 T234 F235 | N129-D131 PolarHBondContact ND2-OD2 2.81Å; D131-Y233 PolarHBondContact N-O 2.93Å; D131-T234 HydrophobicContact CB-CG2 4.22Å; D131-T234 VanDerWaalsContact O-CA 3.3Å; D131-T234 WeakPolarHBondContact O-CA 3.47Å; D131-F235 PolarHBondContact O-N 3.12Å |
| 132 | T | 92.2 | Very high | 92.4 | Very high | 60 Ų | 60 | 51.3 Ų | 51.3 | 37% | 0.368 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132.6 | 174.2 | 54.3 | 0 | 0 | 0 | 0 | 109.4 | I136 F140 | T132-I136 HydrophobicContact CG2-CG2 4.45Å; T132-F140 HydrophobicContact CG2-CB 3.56Å; T132-F140 HydrophobicContact CG2-CD1 4.48Å; T132-F140 HydrophobicContact CG2-CG 4.49Å |
| 133 | H | 91.4 | Very high | 92.9 | Very high | 89 Ų | 89 | 53.7 Ų | 53.7 | 41% | 0.412 | 29% | 0.286 | S | S | . | . | trans | -70.4 | 151.6 | 173.8 | -171.8 | -101.1 | 0 | 0 | 0 | 111 | S135 I136 F235 F236 | H133-S135 PolarHBondContact ND1-N 3.01Å; H133-S135 PolarHBondContact ND1-OG 2.99Å; H133-S135 PolarHBondContact O-N 3.41Å; H133-I136 WeakPolarHBondContact O-CG2 3.47Å; H133-I136 PolarHBondContact O-N 2.76Å; H133-F235 VanDerWaalsContact CB-O 3.23Å; H133-F235 WeakPolarHBondContact CB-O 3.49Å; H133-F235 PolarHBondContact N-O 3.35Å; H133-F236 HydrophobicContact CB-CD1 3.48Å; H133-F236 VanDerWaalsContact CB-CD1 3.48Å; H133-F236 HydrophobicContact CB-CE1 3.72Å; H133-F236 HydrophobicContact CB-CG 4.22Å; H133-F236 AromaticContact CD2-CE1 3.71Å; H133-F236 AromaticContact CG-CD1 3.59Å; H133-F236 AromaticContact CG-CE1 3.72Å | ||
| 134 | A | 85.8 | Confident | 93.1 | Very high | 98 Ų | 98 | 51.5 Ų | 51.5 | 81% | 0.81 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 135 | S | 84.8 | Confident | 93.1 | Very high | 41 Ų | 41 | 56 Ų | 56 | 29% | 0.287 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -20.7 | 175.2 | 55 | 0 | 0 | 0 | 0 | 113.7 | H133 E237 | H133-S135 PolarHBondContact ND1-N 3.01Å; H133-S135 PolarHBondContact ND1-OG 2.99Å; H133-S135 PolarHBondContact O-N 3.41Å; S135-E237 VanDerWaalsContact O-OE2 3.09Å |
| 136 | I | 89.6 | Confident | 93.1 | Very high | 6 Ų | 6 | 57.1 Ų | 57.1 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | trans | -114.4 | 128.9 | -178.5 | -161.8 | 168.5 | 0 | 0 | 0 | 110.4 | T132 H133 W138 I169 F235 E237 | T132-I136 HydrophobicContact CG2-CG2 4.45Å; H133-I136 WeakPolarHBondContact O-CG2 3.47Å; H133-I136 PolarHBondContact O-N 2.76Å; I136-W138 VanDerWaalsContact C-N 3.29Å; I136-W138 HydrophobicContact CD1-CD2 3.4Å; I136-W138 VanDerWaalsContact CD1-CD2 3.4Å; I136-W138 HydrophobicContact CD1-CE3 3.72Å; I136-W138 HydrophobicContact CD1-CG 3.79Å; I136-W138 HydrophobicContact CD1-CH2 4.26Å; I136-W138 HydrophobicContact CD1-CZ2 3.97Å; I136-W138 HydrophobicContact CD1-CZ3 4.15Å; I136-W138 HydrophobicContact CG1-CB 4.26Å; I136-W138 HydrophobicContact CG1-CD2 3.89Å; I136-W138 HydrophobicContact CG1-CG 3.7Å; I136-W138 PolarHBondContact O-N 2.99Å; I136-I169 HydrophobicContact CD1-CG2 4.14Å; I136-I169 HydrophobicContact CG1-CG2 3.91Å; I136-F235 HydrophobicContact CD1-CB 4.35Å; I136-F235 HydrophobicContact CG2-CB 4.14Å; I136-F235 WeakPolarHBondContact CG2-O 3.31Å; I136-E237 HydrophobicContact CB-CB 4.11Å | ||
| 137 | Q | 90 | Very high | 93.1 | Very high | 133 Ų | 133 | 58.5 Ų | 58.5 | 62% | 0.621 | 32% | 0.315 | S | S | * | . | trans | -95.6 | 30.5 | -177.1 | -64.7 | -177.7 | 4.5 | 0 | 0 | 112.5 | P164 T165 | Q137-P164 WeakPolarHBondContact O-CD 3.24Å; Q137-P164 WeakPolarHBondContact O-CG 3.4Å; Q137-T165 HydrophobicContact CB-CG2 3.95Å | ||
| 138 | W | 93.1 | Very high | 93 | Very high | 10 Ų | 10 | 63.6 Ų | 63.6 | 4% | 0.038 | 33% | 0.332 | C | S | . | . | trans | -78.8 | 147.4 | 179 | -70 | 2 | 0 | 0 | 0 | 111.4 | I136 A161 K162 I169 Q197 L199 F235 | I136-W138 VanDerWaalsContact C-N 3.29Å; I136-W138 HydrophobicContact CD1-CD2 3.4Å; I136-W138 VanDerWaalsContact CD1-CD2 3.4Å; I136-W138 HydrophobicContact CD1-CE3 3.72Å; I136-W138 HydrophobicContact CD1-CG 3.79Å; I136-W138 HydrophobicContact CD1-CH2 4.26Å; I136-W138 HydrophobicContact CD1-CZ2 3.97Å; I136-W138 HydrophobicContact CD1-CZ3 4.15Å; I136-W138 HydrophobicContact CG1-CB 4.26Å; I136-W138 HydrophobicContact CG1-CD2 3.89Å; I136-W138 HydrophobicContact CG1-CG 3.7Å; I136-W138 PolarHBondContact O-N 2.99Å; W138-A161 HydrophobicContact CE3-CB 4.25Å; W138-K162 CarbonylContact C-O 3.53Å; W138-K162 VanDerWaalsContact CA-O 3.31Å; W138-K162 WeakPolarHBondContact CA-O 3.27Å; W138-I169 HydrophobicContact CZ2-CB 4.45Å; W138-I169 HydrophobicContact CZ2-CG2 4.23Å; W138-I169 WeakPolarHBondContact CZ2-O 3.48Å; W138-Q197 HydrophobicContact CH2-CB 4.05Å; W138-Q197 WeakPolarHBondContact CH2-O 3.31Å; W138-L199 HydrophobicContact CD2-CD1 3.78Å; W138-L199 HydrophobicContact CE3-CD1 3.81Å; W138-L199 HydrophobicContact CH2-CB 4.41Å; W138-L199 HydrophobicContact CH2-CD1 3.68Å; W138-L199 HydrophobicContact CH2-CG 3.98Å; W138-L199 HydrophobicContact CZ2-CB 3.82Å; W138-L199 HydrophobicContact CZ2-CD1 3.65Å; W138-L199 HydrophobicContact CZ2-CG 3.88Å; W138-L199 HydrophobicContact CZ3-CD1 3.75Å; W138-L199 HydrophobicContact CZ3-CG 4.49Å; W138-F235 HydrophobicContact CE3-CD1 4Å; W138-F235 HydrophobicContact CE3-CE1 4.26Å; W138-F235 HydrophobicContact CE3-CG 4.27Å; W138-F235 HydrophobicContact CH2-CE1 4.46Å; W138-F235 AromaticContact CZ3-CD1 3.63Å; W138-F235 HydrophobicContact CZ3-CD1 3.63Å; W138-F235 AromaticContact CZ3-CE1 3.56Å; W138-F235 HydrophobicContact CZ3-CE1 3.56Å; W138-F235 HydrophobicContact CZ3-CG 4.33Å; W138-F235 HydrophobicContact CZ3-CZ 4.21Å | ||
| 139 | N | 94 | Very high | 92.9 | Very high | 86 Ų | 86 | 63.7 Ų | 63.7 | 46% | 0.46 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 102.3 | 162.1 | -175.8 | -11.5 | 0 | 0 | 0 | 107.6 | A161 K162 | N139-A161 WeakPolarHBondContact O-CA 3.22Å; N139-K162 HydrophobicContact CB-CB 4.34Å; N139-K162 PolarHBondContact N-O 3.18Å; N139-K162 PolarHBondContact O-N 3.18Å |
| 140 | F | 94.6 | Very high | 92.8 | Very high | 15 Ų | 15 | 61.7 Ų | 61.7 | 7% | 0.066 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.6 | -178.3 | 178 | -121.7 | 0 | 0 | 0 | 109.8 | A130 T132 Y159 R160 A161 F192 M207 F235 | A130-F140 HydrophobicContact CB-CD1 3.49Å; A130-F140 VanDerWaalsContact CB-CD1 3.49Å; A130-F140 HydrophobicContact CB-CE1 3.41Å; A130-F140 VanDerWaalsContact CB-CE1 3.41Å; A130-F140 HydrophobicContact CB-CG 4.24Å; A130-F140 HydrophobicContact CB-CZ 4.13Å; T132-F140 HydrophobicContact CG2-CB 3.56Å; T132-F140 HydrophobicContact CG2-CD1 4.48Å; T132-F140 HydrophobicContact CG2-CG 4.49Å; F140-Y159 HydrophobicContact CE1-CD1 4.05Å; F140-Y159 HydrophobicContact CE1-CE1 4.41Å; F140-Y159 AromaticContact CE2-CD1 3.69Å; F140-Y159 HydrophobicContact CE2-CD1 3.69Å; F140-Y159 AromaticContact CE2-CG 3.82Å; F140-Y159 HydrophobicContact CE2-CG 3.82Å; F140-Y159 AromaticContact CZ-CD1 3.28Å; F140-Y159 HydrophobicContact CZ-CD1 3.28Å; F140-Y159 AromaticContact CZ-CE1 3.94Å; F140-Y159 HydrophobicContact CZ-CE1 3.94Å; F140-Y159 AromaticContact CZ-CG 3.71Å; F140-Y159 HydrophobicContact CZ-CG 3.71Å; F140-R160 WeakPolarHBondContact CA-O 3.43Å; F140-A161 HydrophobicContact CD2-CB 4.1Å; F140-F192 HydrophobicContact CZ-CZ 4.22Å; F140-M207 HydrophobicContact CD2-CE 3.84Å; F140-M207 HydrophobicContact CE2-CE 3.41Å; F140-M207 VanDerWaalsContact CE2-CE 3.41Å; F140-M207 HydrophobicContact CZ-CE 4.44Å; F140-F235 AromaticContact CD1-CD2 3.61Å; F140-F235 HydrophobicContact CD1-CD2 3.61Å; F140-F235 HydrophobicContact CD1-CE2 4.05Å; F140-F235 HydrophobicContact CD2-CD2 4.01Å; F140-F235 AromaticContact CD2-CE2 3.77Å; F140-F235 HydrophobicContact CD2-CE2 3.77Å; F140-F235 AromaticContact CE1-CD2 3.69Å; F140-F235 HydrophobicContact CE1-CD2 3.69Å; F140-F235 AromaticContact CE1-CE2 3.81Å; F140-F235 HydrophobicContact CE1-CE2 3.81Å; F140-F235 HydrophobicContact CE2-CD2 4.05Å; F140-F235 AromaticContact CE2-CE2 3.47Å; F140-F235 HydrophobicContact CE2-CE2 3.47Å; F140-F235 VanDerWaalsContact CE2-CE2 3.47Å; F140-F235 HydrophobicContact CE2-CZ 4.5Å; F140-F235 AromaticContact CG-CD2 3.8Å; F140-F235 HydrophobicContact CG-CD2 3.8Å; F140-F235 HydrophobicContact CG-CE2 4.05Å; F140-F235 AromaticContact CZ-CD2 3.92Å; F140-F235 HydrophobicContact CZ-CD2 3.92Å; F140-F235 AromaticContact CZ-CE2 3.52Å; F140-F235 HydrophobicContact CZ-CE2 3.52Å |
| 141 | R | 95.4 | Very high | 92.6 | Very high | 123 Ų | 123 | 60.9 Ų | 60.9 | 46% | 0.464 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 147.6 | -176.8 | 60 | -176.1 | -178.6 | 152.5 | 1 | 111.7 | R160 | R141-R160 HydrophobicContact CG-CB 4.32Å; R141-R160 PolarHBondContact N-O 3.36Å; R141-R160 PolarHBondContact O-N 2.84Å |
| 142 | P | 95.6 | Very high | 92.3 | Very high | 29 Ų | 29 | 58 Ų | 58 | 19% | 0.188 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 144.8 | 170 | 33 | -35.8 | 0 | 0 | 0 | 109.6 | F128 Q144 Y159 | F128-P142 HydrophobicContact CB-CB 3.9Å; P142-Q144 VanDerWaalsContact C-N 3.33Å; P142-Q144 WeakPolarHBondContact CB-O 3.43Å; P142-Y159 HydrophobicContact CB-CD1 4.02Å; P142-Y159 HydrophobicContact CB-CE1 3.94Å |
| 143 | Q | 94.5 | Very high | 92 | Very high | 81 Ų | 81 | 59.6 Ų | 59.6 | 38% | 0.379 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -73.2 | -31.6 | 168.3 | -71.5 | -62 | -76.1 | 0 | 0 | 111.4 | F158 R160 | Q143-F158 HydrophobicContact CB-CB 4.12Å; Q143-F158 WeakPolarHBondContact CB-O 3.11Å; Q143-F158 HydrophobicContact CG-CB 3.96Å; Q143-F158 PolarHBondContact N-O 3.46Å; Q143-R160 HydrophobicContact CG-CB 4.43Å |
| 144 | Q | 93.9 | Very high | 91.9 | Very high | 59 Ų | 59 | 58 Ų | 58 | 28% | 0.276 | 30% | 0.304 | S | S | . | . | trans | -129.2 | 124.7 | 179.5 | 57.3 | -156.9 | 32.9 | 0 | 0 | 109.5 | F128 P142 I147 L156 A157 | F128-Q144 HydrophobicContact CD2-CG 4.26Å; F128-Q144 VanDerWaalsContact CD2-O 3.22Å; F128-Q144 WeakPolarHBondContact CD2-O 3.41Å; F128-Q144 HydrophobicContact CE2-CG 4.26Å; P142-Q144 VanDerWaalsContact C-N 3.33Å; P142-Q144 WeakPolarHBondContact CB-O 3.43Å; Q144-I147 HydrophobicContact CG-CG2 4.1Å; Q144-L156 PolarHBondContact NE2-O 2.91Å; Q144-A157 VanDerWaalsContact NE2-CA 3.29Å | ||
| 145 | T | 94 | Very high | 92.2 | Very high | 95 Ų | 95 | 54 Ų | 54 | 58% | 0.583 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -76.2 | -31.1 | -176 | -48.4 | 0 | 0 | 0 | 0 | 112.3 | T127 F128 | T127-T145 CarbonylContact C-O 3.56Å; T127-T145 WeakPolarHBondContact CA-O 3.25Å; F128-T145 PolarHBondContact N-O 2.69Å |
| 146 | E | 95.6 | Very high | 92.6 | Very high | 83 Ų | 83 | 55.7 Ų | 55.7 | 39% | 0.388 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 151.2 | 177.1 | 59 | 178.4 | -136.3 | 0 | 0 | 111.6 | K125 V126 Y148 | K125-E146 HydrophobicContact CG-CB 4.38Å; K125-E146 IonicContact NZ-OE2 3.41Å; V126-E146 CarbonylContact O-C 3.57Å; V126-E146 WeakPolarHBondContact O-CA 3.23Å; E146-Y148 PolarHBondContact OE1-OH 2.93Å |
| 147 | I | 95.4 | Very high | 92.7 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 15% | 0.154 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 159.9 | 166.6 | 67.9 | 177.6 | 0 | 0 | 0 | 110.1 | V126 F128 Q144 V149 A155 F211 | V126-I147 HydrophobicContact CB-CG1 4.12Å; V126-I147 PolarHBondContact N-O 3.29Å; V126-I147 PolarHBondContact O-N 3.49Å; F128-I147 HydrophobicContact CE2-CB 4.27Å; F128-I147 HydrophobicContact CE2-CD1 3.95Å; F128-I147 HydrophobicContact CE2-CG1 3.66Å; F128-I147 HydrophobicContact CE2-CG2 3.99Å; F128-I147 HydrophobicContact CZ-CD1 3.73Å; F128-I147 HydrophobicContact CZ-CG1 3.82Å; Q144-I147 HydrophobicContact CG-CG2 4.1Å; I147-V149 HydrophobicContact CD1-CG1 3.77Å; I147-V149 HydrophobicContact CG1-CG1 3.98Å; I147-A155 HydrophobicContact CD1-CB 3.9Å; I147-F211 HydrophobicContact CD1-CE1 4.25Å; I147-F211 HydrophobicContact CD1-CZ 3.8Å |
| 148 | Y | 94.9 | Very high | 92.8 | Very high | 137 Ų | 137 | 52.8 Ų | 52.8 | 54% | 0.537 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.1 | 177.4 | -64.2 | -89.9 | 0 | 0 | 0 | 108.3 | I123 K125 E146 | I123-Y148 HydrophobicContact CG2-CD1 3.85Å; I123-Y148 HydrophobicContact CG2-CG 4.25Å; K125-Y148 HydrophobicContact CB-CD1 4.15Å; K125-Y148 HydrophobicContact CB-CE1 3.91Å; K125-Y148 HydrophobicContact CD-CE1 3.92Å; K125-Y148 HydrophobicContact CG-CD1 4.33Å; K125-Y148 HydrophobicContact CG-CE1 3.83Å; E146-Y148 PolarHBondContact OE1-OH 2.93Å |
| 149 | V | 93.2 | Very high | 92.8 | Very high | 8 Ų | 8 | 52.3 Ų | 52.3 | 5% | 0.048 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 154.8 | -175.4 | -63.6 | 0 | 0 | 0 | 0 | 110 | I124 V126 I147 A155 I213 | I124-V149 PolarHBondContact N-O 2.93Å; I124-V149 PolarHBondContact O-N 2.89Å; V126-V149 HydrophobicContact CG2-CG2 3.62Å; I147-V149 HydrophobicContact CD1-CG1 3.77Å; I147-V149 HydrophobicContact CG1-CG1 3.98Å; V149-A155 HydrophobicContact CG1-CB 3.54Å; V149-I213 HydrophobicContact CG2-CD1 3.67Å; V149-I213 HydrophobicContact CG2-CG1 4.48Å |
| 150 | V | 92.3 | Very high | 92.8 | Very high | 20 Ų | 20 | 50.8 Ų | 50.8 | 12% | 0.121 | 25% | 0.247 | C | C | . | . | trans | -103 | 142.9 | 175.9 | 179.2 | 0 | 0 | 0 | 0 | 110 | V119 G152 E153 | V119-V150 WeakPolarHBondContact O-CG1 2.93Å; V150-G152 PolarHBondContact O-N 2.94Å; V150-E153 HydrophobicContact CB-CB 4.32Å; V150-E153 PolarHBondContact N-OE2 3.47Å; V150-E153 WeakPolarHBondContact O-CB 3.28Å; V150-E153 PolarHBondContact O-N 3.45Å | ||
| 151 | P | 90.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 131.7 | 169.5 | -25.8 | 35.3 | 0 | 0 | 0 | 112.4 | V119 R122 I124 E153 I213 F217 | V119-P151 PolarHBondContact N-O 3.21Å; R122-P151 WeakPolarHBondContact O-CD 3.36Å; I124-P151 HydrophobicContact CG1-CG 4.19Å; P151-E153 VanDerWaalsContact C-N 3.33Å; P151-I213 HydrophobicContact CB-CG2 4.35Å; P151-I213 HydrophobicContact CG-CG2 4.43Å; P151-F217 HydrophobicContact CG-CD1 4.31Å |
| 152 | G | 86.5 | Confident | 92.8 | Very high | 14 Ų | 14 | 47.6 Ų | 47.6 | 14% | 0.144 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | V150 I213 | V150-G152 PolarHBondContact O-N 2.94Å; G152-I213 PolarHBondContact N-O 2.99Å |
| 153 | E | 87.1 | Confident | 92.8 | Very high | 94 Ų | 94 | 46.2 Ų | 46.2 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | trans | -91 | 137.9 | 172.1 | -168.6 | 179.7 | -177.8 | 0 | 0 | 110.7 | V150 P151 Y212 | V150-E153 HydrophobicContact CB-CB 4.32Å; V150-E153 PolarHBondContact N-OE2 3.47Å; V150-E153 WeakPolarHBondContact O-CB 3.28Å; V150-E153 PolarHBondContact O-N 3.45Å; P151-E153 VanDerWaalsContact C-N 3.33Å; E153-Y212 WeakPolarHBondContact O-CB 2.88Å | ||
| 154 | T | 89.6 | Confident | 92.9 | Very high | 57 Ų | 57 | 45.4 Ų | 45.4 | 35% | 0.35 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 140 | 172.2 | 54.4 | 0 | 0 | 0 | 0 | 110.4 | V113 F210 | V113-T154 HydrophobicContact CG1-CG2 3.64Å; T154-F210 VanDerWaalsContact CB-CZ 3.49Å; T154-F210 HydrophobicContact CG2-CE1 4.45Å; T154-F210 HydrophobicContact CG2-CE2 4.48Å; T154-F210 HydrophobicContact CG2-CZ 3.84Å |
| 155 | A | 91.8 | Very high | 92.9 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 10% | 0.099 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 151 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I147 V149 F210 F211 | I147-A155 HydrophobicContact CD1-CB 3.9Å; V149-A155 HydrophobicContact CG1-CB 3.54Å; A155-F210 VanDerWaalsContact O-CD2 3.27Å; A155-F210 WeakPolarHBondContact O-CD2 3.24Å; A155-F211 HydrophobicContact CB-CE1 4.23Å; A155-F211 HydrophobicContact CB-CE2 4.2Å; A155-F211 HydrophobicContact CB-CZ 3.97Å; A155-F211 PolarHBondContact N-O 2.9Å; A155-F211 PolarHBondContact O-N 3.49Å |
| 156 | L | 91.8 | Very high | 93 | Very high | 78 Ų | 78 | 45.5 Ų | 45.5 | 41% | 0.408 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.9 | 178.1 | -172 | 68.4 | 0 | 0 | 0 | 109.7 | Q144 F158 P208 F210 | Q144-L156 PolarHBondContact NE2-O 2.91Å; L156-F158 HydrophobicContact CD2-CE1 4.29Å; L156-F158 HydrophobicContact CD2-CE2 3.7Å; L156-F158 HydrophobicContact CD2-CZ 3.39Å; L156-F158 HydrophobicContact CG-CE2 3.96Å; L156-F158 HydrophobicContact CG-CZ 3.95Å; L156-P208 HydrophobicContact CD1-CB 4Å; L156-F210 HydrophobicContact CB-CD2 4.36Å; L156-F210 HydrophobicContact CD1-CB 4.04Å; L156-F210 HydrophobicContact CD1-CD2 4.12Å |
| 157 | A | 92.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 150.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F128 Q144 P208 V209 F211 | F128-A157 HydrophobicContact CD1-CB 4.23Å; F128-A157 HydrophobicContact CE1-CB 3.58Å; F128-A157 HydrophobicContact CE2-CB 3.91Å; F128-A157 HydrophobicContact CZ-CB 3.39Å; Q144-A157 VanDerWaalsContact NE2-CA 3.29Å; A157-P208 CarbonylContact O-C 3.52Å; A157-P208 WeakPolarHBondContact O-CA 3.37Å; A157-V209 PolarHBondContact N-O 3.34Å; A157-V209 PolarHBondContact O-N 3.48Å; A157-F211 HydrophobicContact CB-CE1 4.21Å |
| 158 | F | 92.7 | Very high | 92.6 | Very high | 77 Ų | 77 | 48.4 Ų | 48.4 | 34% | 0.338 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 136 | -178.6 | -65.4 | -85 | 0 | 0 | 0 | 110.9 | Q143 L156 P208 | Q143-F158 HydrophobicContact CB-CB 4.12Å; Q143-F158 WeakPolarHBondContact CB-O 3.11Å; Q143-F158 HydrophobicContact CG-CB 3.96Å; Q143-F158 PolarHBondContact N-O 3.46Å; L156-F158 HydrophobicContact CD2-CE1 4.29Å; L156-F158 HydrophobicContact CD2-CE2 3.7Å; L156-F158 HydrophobicContact CD2-CZ 3.39Å; L156-F158 HydrophobicContact CG-CE2 3.96Å; L156-F158 HydrophobicContact CG-CZ 3.95Å; F158-P208 HydrophobicContact CD1-CB 4.02Å; F158-P208 HydrophobicContact CE1-CB 3.81Å |
| 159 | Y | 93.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 144.8 | 166.6 | -68.7 | -100.6 | 0 | 0 | 0 | 110 | F128 A130 F140 P142 F192 D206 M207 V209 L231 Y233 | F128-Y159 HydrophobicContact CB-CE1 4.41Å; F128-Y159 WeakPolarHBondContact CB-OH 3.38Å; F128-Y159 HydrophobicContact CD1-CE2 4.29Å; F128-Y159 WeakPolarHBondContact CD1-OH 3.5Å; A130-Y159 HydrophobicContact CB-CD1 4.07Å; A130-Y159 HydrophobicContact CB-CE1 4.01Å; F140-Y159 HydrophobicContact CE1-CD1 4.05Å; F140-Y159 HydrophobicContact CE1-CE1 4.41Å; F140-Y159 AromaticContact CE2-CD1 3.69Å; F140-Y159 HydrophobicContact CE2-CD1 3.69Å; F140-Y159 AromaticContact CE2-CG 3.82Å; F140-Y159 HydrophobicContact CE2-CG 3.82Å; F140-Y159 AromaticContact CZ-CD1 3.28Å; F140-Y159 HydrophobicContact CZ-CD1 3.28Å; F140-Y159 AromaticContact CZ-CE1 3.94Å; F140-Y159 HydrophobicContact CZ-CE1 3.94Å; F140-Y159 AromaticContact CZ-CG 3.71Å; F140-Y159 HydrophobicContact CZ-CG 3.71Å; P142-Y159 HydrophobicContact CB-CD1 4.02Å; P142-Y159 HydrophobicContact CB-CE1 3.94Å; Y159-F192 HydrophobicContact CD2-CE1 4.44Å; Y159-D206 CarbonylContact O-C 3.58Å; Y159-D206 WeakPolarHBondContact O-CA 3.42Å; Y159-M207 PolarHBondContact N-O 3.46Å; Y159-M207 PolarHBondContact O-N 2.98Å; Y159-V209 HydrophobicContact CD2-CG2 3.92Å; Y159-V209 HydrophobicContact CE2-CG2 3.96Å; Y159-L231 PolarHBondContact OH-O 3Å; Y159-Y233 HydrophobicContact CE1-CD2 4.32Å; Y159-Y233 AromaticContact CE2-CD2 3.95Å; Y159-Y233 HydrophobicContact CE2-CD2 3.95Å; Y159-Y233 HydrophobicContact CE2-CE2 4.19Å; Y159-Y233 AromaticContact CZ-CD2 3.69Å; Y159-Y233 WeakPolarHBondContact OH-CD2 3.27Å |
| 160 | R | 94.1 | Very high | 92.3 | Very high | 53 Ų | 53 | 43.9 Ų | 43.9 | 20% | 0.2 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126.9 | 175.3 | 179.9 | 102.3 | 60.3 | 97.1 | 3.2 | 109 | F140 R141 Q143 E204 D206 | F140-R160 WeakPolarHBondContact CA-O 3.43Å; R141-R160 HydrophobicContact CG-CB 4.32Å; R141-R160 PolarHBondContact N-O 3.36Å; R141-R160 PolarHBondContact O-N 2.84Å; Q143-R160 HydrophobicContact CG-CB 4.43Å; R160-E204 WeakPolarHBondContact CD-OE1 3.29Å; R160-E204 HydrophobicContact CG-CG 4.12Å; R160-E204 IonicContact CZ-OE1 3.57Å; R160-E204 IonicContact NE-OE1 3.82Å; R160-E204 IonicContact NH1-OE1 2.63Å; R160-E204 PolarHBondContact NH1-OE1 3.22Å; R160-D206 WeakPolarHBondContact CD-OD1 3.45Å; R160-D206 IonicContact NE-OD1 3.05Å; R160-D206 PolarHBondContact NE-OD1 3.45Å |
| 161 | A | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 137 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | W138 N139 F140 L199 E204 V205 M207 | W138-A161 HydrophobicContact CE3-CB 4.25Å; N139-A161 WeakPolarHBondContact O-CA 3.22Å; F140-A161 HydrophobicContact CD2-CB 4.1Å; A161-L199 HydrophobicContact CB-CD1 3.82Å; A161-E204 WeakPolarHBondContact O-CA 3.45Å; A161-V205 PolarHBondContact N-O 3.26Å; A161-V205 PolarHBondContact O-N 2.9Å; A161-M207 HydrophobicContact CB-CE 3.55Å; A161-M207 HydrophobicContact CB-SD 4.4Å |
| 162 | K | 95.4 | Very high | 92 | Very high | 72 Ų | 72 | 44.5 Ų | 44.5 | 31% | 0.313 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 135.2 | 173.9 | -175 | -177.2 | -160.3 | 135 | 0 | 110.6 | W138 N139 P164 E203 E204 | W138-K162 CarbonylContact C-O 3.53Å; W138-K162 VanDerWaalsContact CA-O 3.31Å; W138-K162 WeakPolarHBondContact CA-O 3.27Å; N139-K162 HydrophobicContact CB-CB 4.34Å; N139-K162 PolarHBondContact N-O 3.18Å; N139-K162 PolarHBondContact O-N 3.18Å; K162-P164 VanDerWaalsContact O-CD 3.27Å; K162-P164 WeakPolarHBondContact O-CD 3.29Å; K162-E203 WeakPolarHBondContact CA-O 3.41Å; K162-E204 HydrophobicContact CB-CB 4.34Å; K162-E204 HydrophobicContact CB-CG 4.09Å; K162-E204 VanDerWaalsContact CD-OE2 3.27Å; K162-E204 WeakPolarHBondContact CD-OE2 2.94Å; K162-E204 WeakPolarHBondContact CE-OE2 3.16Å; K162-E204 HydrophobicContact CG-CB 4.16Å; K162-E204 HydrophobicContact CG-CG 4.31Å; K162-E204 IonicContact NZ-OE2 2.77Å; K162-E204 PolarHBondContact NZ-OE2 3.28Å |
| 163 | N | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -94.6 | 104.4 | 167.4 | 179.3 | 7 | 0 | 0 | 0 | 110 | T165 K167 L199 N200 H202 E203 | N163-T165 PolarHBondContact O-N 3.05Å; N163-T165 WeakPolarHBondContact OD1-CB 3.33Å; N163-T165 PolarHBondContact OD1-N 3.33Å; N163-T165 PolarHBondContact OD1-OG1 2.89Å; N163-K167 PolarHBondContact ND2-O 3.48Å; N163-L199 HydrophobicContact CB-CB 3.8Å; N163-L199 PolarHBondContact ND2-O 3.02Å; N163-N200 WeakPolarHBondContact CB-O 3.24Å; N163-N200 PolarHBondContact ND2-O 3.5Å; N163-H202 WeakPolarHBondContact O-CA 3.41Å; N163-H202 PolarHBondContact O-N 2.91Å; N163-E203 PolarHBondContact N-O 3.46Å | ||
| 164 | P | 95 | Very high | 92.2 | Very high | 64 Ų | 64 | 42.8 Ų | 42.8 | 42% | 0.416 | 23% | 0.225 | S | C | . | . | trans | -79.8 | -0.2 | 178.9 | 35.3 | -37.2 | 0 | 0 | 0 | 113.9 | Q137 K162 H202 | Q137-P164 WeakPolarHBondContact O-CD 3.24Å; Q137-P164 WeakPolarHBondContact O-CG 3.4Å; K162-P164 VanDerWaalsContact O-CD 3.27Å; K162-P164 WeakPolarHBondContact O-CD 3.29Å; P164-H202 PolarHBondContact O-CE1 3.45Å; P164-H202 VanDerWaalsContact O-CE1 3.25Å | ||
| 165 | T | 94.6 | Very high | 92.1 | Very high | 18 Ų | 18 | 44.6 Ų | 44.6 | 11% | 0.11 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -92.9 | 164 | -174.5 | 75.7 | 0 | 0 | 0 | 0 | 112.1 | Q137 N163 K167 I169 P201 | Q137-T165 HydrophobicContact CB-CG2 3.95Å; N163-T165 PolarHBondContact O-N 3.05Å; N163-T165 WeakPolarHBondContact OD1-CB 3.33Å; N163-T165 PolarHBondContact OD1-N 3.33Å; N163-T165 PolarHBondContact OD1-OG1 2.89Å; T165-K167 VanDerWaalsContact C-N 3.27Å; T165-K167 PolarHBondContact O-N 2.98Å; T165-K167 PolarHBondContact OG1-O 3.26Å; T165-K167 VanDerWaalsContact OG1-O 3.09Å; T165-I169 HydrophobicContact CG2-CD1 3.99Å; T165-I169 WeakPolarHBondContact OG1-CD1 2.87Å; T165-P201 VanDerWaalsContact O-CA 3.23Å; T165-P201 WeakPolarHBondContact O-CA 3.39Å; T165-P201 WeakPolarHBondContact O-CB 3.08Å |
| 166 | D | 95.4 | Very high | 92.1 | Very high | 137 Ų | 137 | 47.4 Ų | 47.4 | 73% | 0.733 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -85.1 | 6.7 | 178.6 | -58.7 | -50.5 | 0 | 0 | 0 | 114 | P201 H202 | D166-P201 VanDerWaalsContact C-CG 3.49Å; D166-P201 VanDerWaalsContact O-CG 3.32Å; D166-P201 WeakPolarHBondContact O-CG 3.35Å; D166-H202 IonicContact OD1-CD2 3.8Å; D166-H202 IonicContact OD1-CE1 3.7Å; D166-H202 IonicContact OD1-NE2 2.8Å; D166-H202 PolarHBondContact OD1-NE2 3.3Å |
| 167 | K | 92.2 | Very high | 92.1 | Very high | 116 Ų | 116 | 44.5 Ų | 44.5 | 50% | 0.504 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -124 | 147.9 | 179.2 | 62.4 | 175.9 | -176.4 | 167.4 | 0 | 111.1 | N163 T165 I169 | N163-K167 PolarHBondContact ND2-O 3.48Å; T165-K167 VanDerWaalsContact C-N 3.27Å; T165-K167 PolarHBondContact O-N 2.98Å; T165-K167 PolarHBondContact OG1-O 3.26Å; T165-K167 VanDerWaalsContact OG1-O 3.09Å; K167-I169 HydrophobicContact CG-CG1 4.33Å |
| 168 | P | 91.4 | Very high | 92.1 | Very high | 58 Ų | 58 | 48 Ų | 48 | 38% | 0.377 | 25% | 0.246 | S | C | . | . | trans | -64 | 139.5 | 170.3 | 28.3 | -33.9 | 0 | 0 | 0 | 109.7 | L199 | P168-L199 WeakPolarHBondContact CA-O 3.27Š| ||
| 169 | I | 90.9 | Very high | 92.1 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 138.5 | 177 | -63.5 | 176.5 | 0 | 0 | 0 | 107.6 | I136 W138 T165 K167 L199 E237 | I136-I169 HydrophobicContact CD1-CG2 4.14Å; I136-I169 HydrophobicContact CG1-CG2 3.91Å; W138-I169 HydrophobicContact CZ2-CB 4.45Å; W138-I169 HydrophobicContact CZ2-CG2 4.23Å; W138-I169 WeakPolarHBondContact CZ2-O 3.48Å; T165-I169 HydrophobicContact CG2-CD1 3.99Å; T165-I169 WeakPolarHBondContact OG1-CD1 2.87Å; K167-I169 HydrophobicContact CG-CG1 4.33Å; I169-L199 PolarHBondContact N-O 3.36Å; I169-L199 VanDerWaalsContact N-O 3.08Å; I169-L199 PolarHBondContact O-N 3.1Å; I169-E237 HydrophobicContact CG2-CG 4.34Å |
| 170 | I | 90.5 | Very high | 91.9 | Very high | 42 Ų | 42 | 53 Ų | 53 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 127 | 174.1 | -55.1 | 176.2 | 0 | 0 | 0 | 107.5 | E196 Q197 R198 A238 | I170-E196 HydrophobicContact CG2-CB 3.74Å; I170-E196 HydrophobicContact CG2-CG 4.21Å; I170-Q197 CarbonylContact C-O 3.54Å; I170-Q197 WeakPolarHBondContact CA-O 3.37Å; I170-R198 HydrophobicContact CG1-CB 4.15Å; I170-R198 HydrophobicContact CG1-CG 4.14Å; I170-A238 HydrophobicContact CB-CB 4.38Å; I170-A238 HydrophobicContact CG2-CB 3.94Å; I170-A238 PolarHBondContact O-N 3.44Å |
| 171 | G | 89.3 | Confident | 91.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q197 F236 | G171-Q197 PolarHBondContact N-O 2.76Å; G171-Q197 PolarHBondContact O-N 3.48Å; G171-F236 CarbonylContact C-O 3.56Å; G171-F236 VanDerWaalsContact CA-O 3.25Å; G171-F236 WeakPolarHBondContact CA-O 3.25Å |
| 172 | I | 88.6 | Confident | 91.4 | Very high | 34 Ų | 34 | 54.4 Ų | 54.4 | 17% | 0.174 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 145.4 | 164.4 | -169.3 | 168.3 | 0 | 0 | 0 | 107.8 | F236 A238 L244 | I172-F236 HydrophobicContact CG2-CB 4.27Å; I172-F236 PolarHBondContact N-O 3.47Å; I172-F236 PolarHBondContact O-N 3.14Å; I172-A238 HydrophobicContact CG2-CB 4.48Å; I172-L244 HydrophobicContact CD1-CD1 4.06Å; I172-L244 HydrophobicContact CG2-CD1 4.32Å |
| 173 | S | 88 | Confident | 91.1 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 156.8 | 177.6 | 63.4 | 0 | 0 | 0 | 0 | 111.8 | F192 C193 T234 | S173-F192 WeakPolarHBondContact OG-CD2 3.39Å; S173-F192 WeakPolarHBondContact OG-CE2 3.45Å; S173-C193 CarbonylContact O-C 3.55Å; S173-C193 VanDerWaalsContact OG-CA 3.25Å; S173-C193 WeakPolarHBondContact OG-CA 3.45Å; S173-C193 WeakPolarHBondContact OG-CB 3.46Å; S173-T234 CarbonylContact C-O 3.55Å; S173-T234 VanDerWaalsContact CA-O 3.23Å; S173-T234 WeakPolarHBondContact CA-O 3.48Å |
| 174 | T | 88.4 | Confident | 90.7 | Very high | 70 Ų | 70 | 55.6 Ų | 55.6 | 43% | 0.429 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 161.6 | 164.5 | 63.5 | 0 | 0 | 0 | 0 | 109 | Y233 T234 F236 | T174-Y233 WeakPolarHBondContact O-CA 3.3Å; T174-Y233 WeakPolarHBondContact O-CD1 3.41Å; T174-T234 PolarHBondContact N-O 3.45Å; T174-T234 PolarHBondContact O-N 3.04Å; T174-F236 HydrophobicContact CG2-CE2 4.28Å; T174-F236 WeakPolarHBondContact OG1-CE2 3.44Å |
| 175 | Y | 89 | Confident | 90.5 | Very high | 96 Ų | 96 | 53.7 Ų | 53.7 | 38% | 0.376 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 154.2 | -178.7 | 78.7 | -78.9 | 0 | 0 | 0 | 111.7 | V177 K188 F194 L231 S232 Y233 | Y175-V177 HydrophobicContact CD2-CG2 4.24Å; Y175-V177 HydrophobicContact CE2-CG2 4.23Å; Y175-K188 VanDerWaalsContact CD2-NZ 3.3Å; Y175-F194 HydrophobicContact CD1-CZ 4.45Å; Y175-F194 HydrophobicContact CE1-CE2 4.17Å; Y175-F194 AromaticContact CE1-CZ 3.94Å; Y175-F194 HydrophobicContact CE1-CZ 3.94Å; Y175-L231 HydrophobicContact CD2-CD1 4.06Å; Y175-S232 CarbonylContact C-O 3.49Å; Y175-S232 VanDerWaalsContact CA-O 3.24Å; Y175-S232 WeakPolarHBondContact CA-O 3.08Å; Y175-Y233 HydrophobicContact CG-CE1 4.29Å |
| 176 | N | 90.7 | Very high | 90.3 | Very high | 70 Ų | 70 | 53.4 Ų | 53.4 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 146.7 | 171 | 60.9 | -66.8 | 0 | 0 | 0 | 110.7 | S232 | N176-S232 PolarHBondContact N-O 3.01Å; N176-S232 PolarHBondContact O-N 3.46Å; N176-S232 WeakPolarHBondContact OD1-CB 3.33Å; N176-S232 PolarHBondContact OD1-O 3.02Å |
| 177 | V | 92.3 | Very high | 89.9 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 11% | 0.109 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 129.5 | 176.2 | -177 | 0 | 0 | 0 | 0 | 108.3 | Y175 F186 I229 T230 L231 | Y175-V177 HydrophobicContact CD2-CG2 4.24Å; Y175-V177 HydrophobicContact CE2-CG2 4.23Å; V177-F186 HydrophobicContact CG1-CB 4.13Å; V177-F186 HydrophobicContact CG1-CG 4.24Å; V177-F186 HydrophobicContact CG2-CB 4.39Å; V177-F186 HydrophobicContact CG2-CD1 3.95Å; V177-F186 HydrophobicContact CG2-CG 4.19Å; V177-I229 HydrophobicContact CG1-CG2 3.49Å; V177-I229 VanDerWaalsContact CG1-CG2 3.49Å; V177-T230 WeakPolarHBondContact CA-O 3.37Å; V177-L231 HydrophobicContact CG2-CD1 4Å |
| 178 | V | 92.3 | Very high | 89.5 | Confident | 74 Ų | 74 | 45 Ų | 45 | 45% | 0.448 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 133.4 | -179.9 | 179.4 | 0 | 0 | 0 | 0 | 109.2 | I229 T230 | V178-I229 CarbonylContact O-C 3.57Å; V178-I229 WeakPolarHBondContact O-CA 3.38Å; V178-T230 PolarHBondContact N-O 3.43Å; V178-T230 PolarHBondContact O-N 3.28Å |
| 179 | P | 93.3 | Very high | 88.6 | Confident | 40 Ų | 40 | 44.4 Ų | 44.4 | 26% | 0.26 | 23% | 0.231 | S | C | . | . | S | Bend | cis | -68.2 | 153.2 | -1.4 | 28.8 | -34.1 | 0 | 0 | 0 | 112.8 | D181 A182 V226 T228 | P179-D181 PolarHBondContact O-N 3.47Å; P179-A182 HydrophobicContact CG-CB 4.02Å; P179-A182 WeakPolarHBondContact O-CB 3.46Å; P179-A182 PolarHBondContact O-N 3.37Å; P179-A182 VanDerWaalsContact O-N 3.07Å; P179-V226 HydrophobicContact CG-CG1 3.61Å; P179-V226 HydrophobicContact CG-CG2 4.02Å; P179-T228 WeakPolarHBondContact CD-O 3.37Å |
| 180 | F | 88.3 | Confident | 87.1 | Confident | 143 Ų | 143 | 50.1 Ų | 50.1 | 63% | 0.627 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -60.5 | -36.2 | -175.8 | -178.2 | -100.2 | 0 | 0 | 0 | 112.5 | A182 G183 | F180-A182 PolarHBondContact O-N 3.46Å; F180-G183 PolarHBondContact O-N 3.38Å |
| 181 | D | 88.2 | Confident | 85.9 | Confident | 81 Ų | 81 | 49.7 Ų | 49.7 | 43% | 0.433 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -61.5 | -28.8 | 177.9 | -59.9 | -40.1 | 0 | 0 | 0 | 112.7 | P179 G183 Q184 M223 | P179-D181 PolarHBondContact O-N 3.47Å; D181-G183 VanDerWaalsContact C-N 3.32Å; D181-Q184 WeakPolarHBondContact O-CG 3.48Å; D181-M223 HydrophobicContact CB-CE 3.3Å; D181-M223 HydrophobicContact CB-SD 4.33Å |
| 182 | A | 89.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -79.2 | -17.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P179 F180 Q184 Y185 F186 F217 M223 V226 I229 | P179-A182 HydrophobicContact CG-CB 4.02Å; P179-A182 WeakPolarHBondContact O-CB 3.46Å; P179-A182 PolarHBondContact O-N 3.37Å; P179-A182 VanDerWaalsContact O-N 3.07Å; F180-A182 PolarHBondContact O-N 3.46Å; A182-Q184 PolarHBondContact O-N 2.98Å; A182-Y185 PolarHBondContact O-N 3.43Å; A182-Y185 VanDerWaalsContact O-N 3.13Å; A182-F186 PolarHBondContact O-N 2.68Å; A182-F217 HydrophobicContact CB-CE2 3.86Å; A182-M223 HydrophobicContact CB-SD 4.03Å; A182-V226 HydrophobicContact CB-CG1 4.31Å; A182-I229 HydrophobicContact CB-CD1 3.98Å; A182-I229 HydrophobicContact CB-CG1 4.06Å |
| 183 | G | 88.8 | Confident | 83.1 | Confident | 26 Ų | 26 | 48.7 Ų | 48.7 | 27% | 0.268 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -61.8 | -27.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F180 D181 Y185 F186 | F180-G183 PolarHBondContact O-N 3.38Å; D181-G183 VanDerWaalsContact C-N 3.32Å; G183-Y185 VanDerWaalsContact C-N 3.31Å; G183-Y185 PolarHBondContact O-N 2.92Å; G183-F186 PolarHBondContact O-N 3Å |
| 184 | Q | 88.6 | Confident | 81.8 | Confident | 71 Ų | 71 | 55.8 Ų | 55.8 | 33% | 0.332 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -71.5 | -25.4 | 177.7 | 70.2 | -177.2 | 1.4 | 0 | 0 | 113.6 | D181 A182 | D181-Q184 WeakPolarHBondContact O-CG 3.48Å; A182-Q184 PolarHBondContact O-N 2.98Å |
| 185 | Y | 90.3 | Very high | 81.1 | Confident | 24 Ų | 24 | 58.3 Ų | 58.3 | 9% | 0.094 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -10.9 | 177.8 | -57.6 | -74.1 | 0 | 0 | 0 | 112.2 | A182 G183 N187 I213 D214 E216 F217 D220 M223 | A182-Y185 PolarHBondContact O-N 3.43Å; A182-Y185 VanDerWaalsContact O-N 3.13Å; G183-Y185 VanDerWaalsContact C-N 3.31Å; G183-Y185 PolarHBondContact O-N 2.92Å; Y185-N187 PolarHBondContact O-N 3.36Å; Y185-I213 WeakPolarHBondContact O-CA 3.33Å; Y185-D214 HydrophobicContact CD1-CB 4.16Å; Y185-D214 PolarHBondContact O-N 3.38Å; Y185-E216 HydrophobicContact CD1-CB 4.21Å; Y185-E216 HydrophobicContact CE1-CB 3.89Å; Y185-F217 HydrophobicContact CD1-CB 4.24Å; Y185-F217 HydrophobicContact CD2-CB 4.41Å; Y185-F217 AromaticContact CD2-CD2 3.68Å; Y185-F217 HydrophobicContact CD2-CD2 3.68Å; Y185-F217 HydrophobicContact CD2-CE2 4.49Å; Y185-F217 HydrophobicContact CD2-CG 4.49Å; Y185-F217 HydrophobicContact CE2-CD2 4.47Å; Y185-F217 HydrophobicContact CG-CB 3.99Å; Y185-F217 AromaticContact CG-CD2 3.92Å; Y185-F217 HydrophobicContact CG-CD2 3.92Å; Y185-F217 HydrophobicContact CG-CG 4.47Å; Y185-D220 HydrophobicContact CE2-CB 4.44Å; Y185-D220 WeakPolarHBondContact OH-CB 3.43Å; Y185-D220 PolarHBondContact OH-OD2 3.28Å; Y185-M223 HydrophobicContact CD2-CG 4.09Å; Y185-M223 HydrophobicContact CD2-SD 4.41Å; Y185-M223 HydrophobicContact CE2-CG 3.68Å; Y185-M223 HydrophobicContact CE2-SD 4.34Å |
| 186 | F | 90.2 | Very high | 80.9 | Confident | 13 Ų | 13 | 60.3 Ų | 60.3 | 6% | 0.057 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 99.9 | -178.5 | -166.8 | -83 | 0 | 0 | 0 | 110.1 | V126 V177 A182 G183 F211 I213 I229 L231 | V126-F186 HydrophobicContact CG1-CE2 4.38Å; V177-F186 HydrophobicContact CG1-CB 4.13Å; V177-F186 HydrophobicContact CG1-CG 4.24Å; V177-F186 HydrophobicContact CG2-CB 4.39Å; V177-F186 HydrophobicContact CG2-CD1 3.95Å; V177-F186 HydrophobicContact CG2-CG 4.19Å; A182-F186 PolarHBondContact O-N 2.68Å; G183-F186 PolarHBondContact O-N 3Å; F186-F211 HydrophobicContact CD2-CD2 4.39Å; F186-F211 HydrophobicContact CE1-CB 3.93Å; F186-F211 HydrophobicContact CE1-CD2 4.09Å; F186-F211 HydrophobicContact CE1-CG 4.06Å; F186-F211 AromaticContact CE2-CD2 3.41Å; F186-F211 HydrophobicContact CE2-CD2 3.41Å; F186-F211 VanDerWaalsContact CE2-CD2 3.41Å; F186-F211 AromaticContact CE2-CE2 3.56Å; F186-F211 HydrophobicContact CE2-CE2 3.56Å; F186-F211 HydrophobicContact CE2-CG 4.16Å; F186-F211 HydrophobicContact CE2-CZ 4.39Å; F186-F211 HydrophobicContact CZ-CB 3.88Å; F186-F211 HydrophobicContact CZ-CD1 4.12Å; F186-F211 AromaticContact CZ-CD2 3.22Å; F186-F211 HydrophobicContact CZ-CD2 3.22Å; F186-F211 HydrophobicContact CZ-CE1 4.46Å; F186-F211 AromaticContact CZ-CE2 3.65Å; F186-F211 HydrophobicContact CZ-CE2 3.65Å; F186-F211 AromaticContact CZ-CG 3.48Å; F186-F211 HydrophobicContact CZ-CG 3.48Å; F186-F211 VanDerWaalsContact CZ-CG 3.48Å; F186-F211 HydrophobicContact CZ-CZ 4.23Å; F186-I213 HydrophobicContact CD2-CG1 4.25Å; F186-I229 HydrophobicContact CD2-CG2 4.11Å; F186-I229 HydrophobicContact CE2-CG2 4.45Å; F186-L231 HydrophobicContact CE1-CD1 4.14Å; F186-L231 HydrophobicContact CE1-CD2 4.21Å; F186-L231 HydrophobicContact CZ-CD1 4.48Å; F186-L231 HydrophobicContact CZ-CD2 4.01Å |
| 187 | N | 87.5 | Confident | 80.7 | Confident | 51 Ų | 51 | 59.6 Ų | 59.6 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 116.2 | -176.8 | -74 | -62.2 | 0 | 0 | 0 | 110.7 | Y185 F211 Y212 | Y185-N187 PolarHBondContact O-N 3.36Å; N187-F211 CarbonylContact O-C 3.55Å; N187-F211 VanDerWaalsContact O-CA 3.24Å; N187-F211 WeakPolarHBondContact O-CA 3.34Å; N187-F211 WeakPolarHBondContact O-CB 3.5Å; N187-Y212 HydrophobicContact CB-CD1 3.86Å; N187-Y212 HydrophobicContact CB-CD2 4.22Å; N187-Y212 HydrophobicContact CB-CE1 3.38Å; N187-Y212 HydrophobicContact CB-CE2 3.74Å; N187-Y212 HydrophobicContact CB-CG 4.27Å; N187-Y212 PolarHBondContact N-O 2.91Å; N187-Y212 PolarHBondContact O-N 3.46Å |
| 188 | K | 83.4 | Confident | 80.6 | Confident | 25 Ų | 25 | 65.7 Ų | 65.7 | 11% | 0.109 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 111.4 | 177.2 | -177.7 | 173.2 | 58.8 | -168.9 | 0 | 109.7 | Y175 C191 V209 Y233 | Y175-K188 VanDerWaalsContact CD2-NZ 3.3Å; K188-C191 HydrophobicContact CD-CB 3.83Å; K188-C191 WeakPolarHBondContact CD-SG 3.29Å; K188-C191 WeakPolarHBondContact CE-SG 3.12Å; K188-C191 HydrophobicContact CG-CB 4.3Å; K188-C191 PolarHBondContact NZ-SG 3.49Å; K188-V209 HydrophobicContact CD-CG1 4.02Å; K188-V209 HydrophobicContact CG-CG1 4.19Å; K188-Y233 VanDerWaalsContact CD-OH 3.22Å; K188-Y233 WeakPolarHBondContact CD-OH 3.42Å; K188-Y233 PolarHBondContact NZ-OH 2.96Å |
| 189 | I | 73.1 | Confident | 80.6 | Confident | 45 Ų | 45 | 62.6 Ų | 62.6 | 23% | 0.231 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -38.6 | -174.8 | -59.4 | 172.6 | 0 | 0 | 0 | 110.4 | T110 V113 F210 Y212 | T110-I189 HydrophobicContact CG2-CG2 4.5Å; V113-I189 HydrophobicContact CG2-CD1 4.09Å; I189-F210 HydrophobicContact CB-CD1 3.77Å; I189-F210 HydrophobicContact CB-CE1 4.41Å; I189-F210 HydrophobicContact CD1-CD1 3.65Å; I189-F210 HydrophobicContact CD1-CE1 3.44Å; I189-F210 VanDerWaalsContact CD1-CE1 3.44Å; I189-F210 HydrophobicContact CD1-CZ 4.35Å; I189-F210 HydrophobicContact CG1-CD1 4.25Å; I189-F210 HydrophobicContact CG1-CE1 4.49Å; I189-F210 HydrophobicContact CG2-CD1 3.99Å; I189-F210 HydrophobicContact CG2-CE1 4.46Å; I189-F210 PolarHBondContact N-O 3.38Å; I189-Y212 HydrophobicContact CD1-CD1 3.49Å; I189-Y212 VanDerWaalsContact CD1-CD1 3.49Å; I189-Y212 HydrophobicContact CD1-CE1 3.71Å; I189-Y212 HydrophobicContact CG1-CD1 3.74Å; I189-Y212 HydrophobicContact CG1-CE1 3.69Å |
| 190 | Q | 58.8 | Low | 80.7 | Confident | 128 Ų | 128 | 64 Ų | 64 | 60% | 0.598 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 133.5 | -179.6 | -64.2 | -177.1 | -46.6 | 0 | 0 | 111.3 | F210 | Q190-F210 HydrophobicContact CB-CB 4.32Å; Q190-F210 PolarHBondContact N-O 2.93Å |
| 191 | C | 64.4 | Low | 81 | Confident | 34 Ų | 34 | 59.7 Ų | 59.7 | 23% | 0.23 | 29% | 0.291 | C | S | . | . | trans | -144.8 | 131.6 | -175 | -148 | 0 | 0 | 0 | 0 | 113.5 | K188 C193 Y233 | K188-C191 HydrophobicContact CD-CB 3.83Å; K188-C191 WeakPolarHBondContact CD-SG 3.29Å; K188-C191 WeakPolarHBondContact CE-SG 3.12Å; K188-C191 HydrophobicContact CG-CB 4.3Å; K188-C191 PolarHBondContact NZ-SG 3.49Å; C191-C193 HydrophobicContact CB-CB 4.05Å; C191-C193 WeakPolarHBondContact CB-SG 3.29Å; C191-C193 PolarHBondContact O-N 3.27Å; C191-C193 WeakPolarHBondContact SG-CB 3.49Å; C191-C193 CovalentContact SG-SG 1.98Å; C191-C193 PolarHBondContact SG-SG 3.03Å; C191-Y233 PolarHBondContact SG-OH 3.47Å | ||
| 192 | F | 61.5 | Low | 81.4 | Confident | 12 Ų | 12 | 60.9 Ų | 60.9 | 5% | 0.053 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -69.5 | 9.3 | 166.6 | 60.2 | -95.3 | 0 | 0 | 0 | 114.6 | F140 Y159 S173 Q197 M207 V209 Y233 F235 | F140-F192 HydrophobicContact CZ-CZ 4.22Å; Y159-F192 HydrophobicContact CD2-CE1 4.44Å; S173-F192 WeakPolarHBondContact OG-CD2 3.39Å; S173-F192 WeakPolarHBondContact OG-CE2 3.45Å; F192-Q197 HydrophobicContact CB-CG 4.48Å; F192-M207 HydrophobicContact CB-SD 4.44Å; F192-M207 HydrophobicContact CD1-CB 4.14Å; F192-M207 HydrophobicContact CD2-SD 4.3Å; F192-M207 HydrophobicContact CG-SD 4.25Å; F192-V209 HydrophobicContact CD1-CG2 3.96Å; F192-V209 HydrophobicContact CE1-CG2 3.43Å; F192-V209 VanDerWaalsContact CE1-CG2 3.43Å; F192-Y233 HydrophobicContact CE1-CD1 4.37Å; F192-Y233 HydrophobicContact CE1-CE1 4.06Å; F192-Y233 HydrophobicContact CE1-CE2 4.23Å; F192-Y233 AromaticContact CE1-CZ 3.96Å; F192-Y233 AromaticContact CE2-CD1 3.6Å; F192-Y233 HydrophobicContact CE2-CD1 3.6Å; F192-Y233 AromaticContact CE2-CE1 3.75Å; F192-Y233 HydrophobicContact CE2-CE1 3.75Å; F192-Y233 HydrophobicContact CE2-CG 4.23Å; F192-Y233 AromaticContact CZ-CD1 3.36Å; F192-Y233 HydrophobicContact CZ-CD1 3.36Å; F192-Y233 AromaticContact CZ-CD2 3.97Å; F192-Y233 HydrophobicContact CZ-CD2 3.97Å; F192-Y233 AromaticContact CZ-CE1 3.42Å; F192-Y233 HydrophobicContact CZ-CE1 3.42Å; F192-Y233 VanDerWaalsContact CZ-CE1 3.42Å; F192-Y233 HydrophobicContact CZ-CE2 4Å; F192-Y233 AromaticContact CZ-CG 3.63Å; F192-Y233 HydrophobicContact CZ-CG 3.63Å; F192-Y233 AromaticContact CZ-CZ 3.73Å; F192-F235 HydrophobicContact CD2-CE1 4.31Å; F192-F235 HydrophobicContact CD2-CE2 4.13Å; F192-F235 AromaticContact CD2-CZ 3.5Å; F192-F235 HydrophobicContact CD2-CZ 3.5Å; F192-F235 HydrophobicContact CE2-CE1 4.38Å; F192-F235 AromaticContact CE2-CE2 3.48Å; F192-F235 HydrophobicContact CE2-CE2 3.48Å; F192-F235 VanDerWaalsContact CE2-CE2 3.48Å; F192-F235 AromaticContact CE2-CZ 3.35Å; F192-F235 HydrophobicContact CE2-CZ 3.35Å; F192-F235 HydrophobicContact CZ-CE2 4.23Å; F192-F235 HydrophobicContact CZ-CZ 4.4Å |
| 193 | C | 59.3 | Low | 81.6 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -108.1 | 5.2 | -146.6 | -28.9 | 0 | 0 | 0 | 0 | 114 | S173 C191 Y233 | S173-C193 CarbonylContact O-C 3.55Å; S173-C193 VanDerWaalsContact OG-CA 3.25Å; S173-C193 WeakPolarHBondContact OG-CA 3.45Å; S173-C193 WeakPolarHBondContact OG-CB 3.46Å; C191-C193 HydrophobicContact CB-CB 4.05Å; C191-C193 WeakPolarHBondContact CB-SG 3.29Å; C191-C193 PolarHBondContact O-N 3.27Å; C191-C193 WeakPolarHBondContact SG-CB 3.49Å; C191-C193 CovalentContact SG-SG 1.98Å; C191-C193 PolarHBondContact SG-SG 3.03Å; C193-Y233 HydrophobicContact CB-CE1 3.76Å; C193-Y233 WeakPolarHBondContact SG-CE1 3.33Å; C193-Y233 PolarHBondContact SG-OH 2.8Å |
| 194 | F | 59.9 | Low | 81.9 | Confident | 151 Ų | 151 | 66.9 Ų | 66.9 | 66% | 0.662 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -132.7 | 10.3 | 168.3 | -59.4 | -64.8 | 0 | 0 | 0 | 110.8 | Y175 | Y175-F194 HydrophobicContact CD1-CZ 4.45Å; Y175-F194 HydrophobicContact CE1-CE2 4.17Å; Y175-F194 AromaticContact CE1-CZ 3.94Å; Y175-F194 HydrophobicContact CE1-CZ 3.94Å |
| 195 | E | 74.4 | Confident | 82.1 | Confident | 123 Ų | 123 | 66.2 Ų | 66.2 | 58% | 0.575 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -112.7 | 136.2 | 179.1 | -66.8 | -178 | 178.5 | 0 | 0 | 109 | Q197 | E195-Q197 PolarHBondContact O-N 2.92Å; E195-Q197 VanDerWaalsContact O-N 3.16Å |
| 196 | E | 83.6 | Confident | 82.2 | Confident | 138 Ų | 138 | 69 Ų | 69 | 65% | 0.645 | 33% | 0.333 | S | S | * | . | trans | -66.2 | 112 | 172.8 | -69.6 | -178.2 | 178.3 | 0 | 0 | 109.3 | I170 | I170-E196 HydrophobicContact CG2-CB 3.74Å; I170-E196 HydrophobicContact CG2-CG 4.21Å | ||
| 197 | Q | 87.1 | Confident | 82.3 | Confident | 54 Ų | 54 | 69 Ų | 69 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 120.4 | 175.3 | -61.2 | -55 | -45.8 | 0 | 0 | 108.6 | W138 I170 G171 F192 E195 | W138-Q197 HydrophobicContact CH2-CB 4.05Å; W138-Q197 WeakPolarHBondContact CH2-O 3.31Å; I170-Q197 CarbonylContact C-O 3.54Å; I170-Q197 WeakPolarHBondContact CA-O 3.37Å; G171-Q197 PolarHBondContact N-O 2.76Å; G171-Q197 PolarHBondContact O-N 3.48Å; F192-Q197 HydrophobicContact CB-CG 4.48Å; E195-Q197 PolarHBondContact O-N 2.92Å; E195-Q197 VanDerWaalsContact O-N 3.16Å |
| 198 | R | 90.1 | Very high | 82.4 | Confident | 147 Ų | 147 | 69.9 Ų | 69.9 | 56% | 0.555 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 119.1 | 174.7 | 178.6 | 178.2 | 166.8 | 138 | -2.9 | 109.6 | I170 | I170-R198 HydrophobicContact CG1-CB 4.15Å; I170-R198 HydrophobicContact CG1-CG 4.14Å |
| 199 | L | 92.5 | Very high | 82.7 | Confident | 9 Ų | 9 | 68.7 Ų | 68.7 | 5% | 0.047 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123 | 171.2 | -74 | 170.3 | 0 | 0 | 0 | 110 | W138 A161 N163 P168 I169 E203 V205 | W138-L199 HydrophobicContact CD2-CD1 3.78Å; W138-L199 HydrophobicContact CE3-CD1 3.81Å; W138-L199 HydrophobicContact CH2-CB 4.41Å; W138-L199 HydrophobicContact CH2-CD1 3.68Å; W138-L199 HydrophobicContact CH2-CG 3.98Å; W138-L199 HydrophobicContact CZ2-CB 3.82Å; W138-L199 HydrophobicContact CZ2-CD1 3.65Å; W138-L199 HydrophobicContact CZ2-CG 3.88Å; W138-L199 HydrophobicContact CZ3-CD1 3.75Å; W138-L199 HydrophobicContact CZ3-CG 4.49Å; A161-L199 HydrophobicContact CB-CD1 3.82Å; N163-L199 HydrophobicContact CB-CB 3.8Å; N163-L199 PolarHBondContact ND2-O 3.02Å; P168-L199 WeakPolarHBondContact CA-O 3.27Å; I169-L199 PolarHBondContact N-O 3.36Å; I169-L199 VanDerWaalsContact N-O 3.08Å; I169-L199 PolarHBondContact O-N 3.1Å; L199-E203 HydrophobicContact CD2-CB 4.25Å; L199-E203 HydrophobicContact CD2-CG 3.98Å; L199-V205 HydrophobicContact CD2-CB 4.05Å; L199-V205 HydrophobicContact CD2-CG2 3.56Å |
| 200 | N | 94.5 | Very high | 83.6 | Confident | 69 Ų | 69 | 69 Ų | 69 | 37% | 0.369 | 34% | 0.336 | S | S | . | . | trans | -68.2 | 167.4 | 173.5 | -63.2 | -61.5 | 0 | 0 | 0 | 111 | N163 H202 E203 | N163-N200 WeakPolarHBondContact CB-O 3.24Å; N163-N200 PolarHBondContact ND2-O 3.5Å; N200-H202 PolarHBondContact O-N 3.35Å; N200-E203 HydrophobicContact CB-CB 4.15Å; N200-E203 WeakPolarHBondContact CB-OE2 3.39Å; N200-E203 PolarHBondContact N-OE2 3.37Å; N200-E203 PolarHBondContact ND2-OE2 2.93Å; N200-E203 VanDerWaalsContact O-CB 3.24Å; N200-E203 WeakPolarHBondContact O-CB 3.37Å; N200-E203 PolarHBondContact O-N 2.93Å; N200-E203 VanDerWaalsContact O-N 3.12Å | ||
| 201 | P | 96 | Very high | 85.2 | Confident | 52 Ų | 52 | 63 Ų | 63 | 34% | 0.338 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 130.9 | 175.9 | -28.2 | 37.1 | 0 | 0 | 0 | 112.3 | T165 D166 E203 | T165-P201 VanDerWaalsContact O-CA 3.23Å; T165-P201 WeakPolarHBondContact O-CA 3.39Å; T165-P201 WeakPolarHBondContact O-CB 3.08Å; D166-P201 VanDerWaalsContact C-CG 3.49Å; D166-P201 VanDerWaalsContact O-CG 3.32Å; D166-P201 WeakPolarHBondContact O-CG 3.35Å; P201-E203 PolarHBondContact O-N 3.47Å |
| 202 | H | 95.6 | Very high | 86.5 | Confident | 106 Ų | 106 | 62.3 Ų | 62.3 | 49% | 0.491 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 11.1 | -180 | -55.9 | -68.5 | 0 | 0 | 0 | 115.4 | N163 P164 D166 N200 | N163-H202 WeakPolarHBondContact O-CA 3.41Å; N163-H202 PolarHBondContact O-N 2.91Å; P164-H202 PolarHBondContact O-CE1 3.45Å; P164-H202 VanDerWaalsContact O-CE1 3.25Å; D166-H202 IonicContact OD1-CD2 3.8Å; D166-H202 IonicContact OD1-CE1 3.7Å; D166-H202 IonicContact OD1-NE2 2.8Å; D166-H202 PolarHBondContact OD1-NE2 3.3Å; N200-H202 PolarHBondContact O-N 3.35Å |
| 203 | E | 94.9 | Very high | 88 | Confident | 67 Ų | 67 | 61.8 Ų | 61.8 | 31% | 0.313 | 30% | 0.298 | S | S | . | . | trans | -74.2 | 141.8 | 177.7 | -170 | 172.3 | -166.2 | 0 | 0 | 110.8 | K162 N163 L199 N200 P201 V205 | K162-E203 WeakPolarHBondContact CA-O 3.41Å; N163-E203 PolarHBondContact N-O 3.46Å; L199-E203 HydrophobicContact CD2-CB 4.25Å; L199-E203 HydrophobicContact CD2-CG 3.98Å; N200-E203 HydrophobicContact CB-CB 4.15Å; N200-E203 WeakPolarHBondContact CB-OE2 3.39Å; N200-E203 PolarHBondContact N-OE2 3.37Å; N200-E203 PolarHBondContact ND2-OE2 2.93Å; N200-E203 VanDerWaalsContact O-CB 3.24Å; N200-E203 WeakPolarHBondContact O-CB 3.37Å; N200-E203 PolarHBondContact O-N 2.93Å; N200-E203 VanDerWaalsContact O-N 3.12Å; P201-E203 PolarHBondContact O-N 3.47Å; E203-V205 HydrophobicContact CG-CG2 4.05Å | ||
| 204 | E | 95.2 | Very high | 89.5 | Confident | 85 Ų | 85 | 63.1 Ų | 63.1 | 40% | 0.397 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 124.2 | -178.8 | -171.4 | 172.4 | 130.6 | 0 | 0 | 108.6 | R160 A161 K162 | R160-E204 WeakPolarHBondContact CD-OE1 3.29Å; R160-E204 HydrophobicContact CG-CG 4.12Å; R160-E204 IonicContact CZ-OE1 3.57Å; R160-E204 IonicContact NE-OE1 3.82Å; R160-E204 IonicContact NH1-OE1 2.63Å; R160-E204 PolarHBondContact NH1-OE1 3.22Å; A161-E204 WeakPolarHBondContact O-CA 3.45Å; K162-E204 HydrophobicContact CB-CB 4.34Å; K162-E204 HydrophobicContact CB-CG 4.09Å; K162-E204 VanDerWaalsContact CD-OE2 3.27Å; K162-E204 WeakPolarHBondContact CD-OE2 2.94Å; K162-E204 WeakPolarHBondContact CE-OE2 3.16Å; K162-E204 HydrophobicContact CG-CB 4.16Å; K162-E204 HydrophobicContact CG-CG 4.31Å; K162-E204 IonicContact NZ-OE2 2.77Å; K162-E204 PolarHBondContact NZ-OE2 3.28Å |
| 205 | V | 92.6 | Very high | 90.9 | Very high | 57 Ų | 57 | 57.1 Ų | 57.1 | 35% | 0.345 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 140.3 | -174.5 | 179 | 0 | 0 | 0 | 0 | 109.9 | A161 L199 E203 M207 | A161-V205 PolarHBondContact N-O 3.26Å; A161-V205 PolarHBondContact O-N 2.9Å; L199-V205 HydrophobicContact CD2-CB 4.05Å; L199-V205 HydrophobicContact CD2-CG2 3.56Å; E203-V205 HydrophobicContact CG-CG2 4.05Å; V205-M207 HydrophobicContact CG1-CG 4.48Å |
| 206 | D | 92.3 | Very high | 91.6 | Very high | 84 Ų | 84 | 57 Ų | 57 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 121.6 | 168.4 | -70.4 | -47.7 | 0 | 0 | 0 | 109.7 | Y159 R160 P208 | Y159-D206 CarbonylContact O-C 3.58Å; Y159-D206 WeakPolarHBondContact O-CA 3.42Å; R160-D206 WeakPolarHBondContact CD-OD1 3.45Å; R160-D206 IonicContact NE-OD1 3.05Å; R160-D206 PolarHBondContact NE-OD1 3.45Å; D206-P208 WeakPolarHBondContact O-CD 3.46Å |
| 207 | M | 90.7 | Very high | 91.8 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 6% | 0.064 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 110.3 | -178.7 | -64.4 | -178.6 | -61.2 | 0 | 0 | 109.5 | F140 Y159 A161 F192 V205 F235 | F140-M207 HydrophobicContact CD2-CE 3.84Å; F140-M207 HydrophobicContact CE2-CE 3.41Å; F140-M207 VanDerWaalsContact CE2-CE 3.41Å; F140-M207 HydrophobicContact CZ-CE 4.44Å; Y159-M207 PolarHBondContact N-O 3.46Å; Y159-M207 PolarHBondContact O-N 2.98Å; A161-M207 HydrophobicContact CB-CE 3.55Å; A161-M207 HydrophobicContact CB-SD 4.4Å; F192-M207 HydrophobicContact CB-SD 4.44Å; F192-M207 HydrophobicContact CD1-CB 4.14Å; F192-M207 HydrophobicContact CD2-SD 4.3Å; F192-M207 HydrophobicContact CG-SD 4.25Å; V205-M207 HydrophobicContact CG1-CG 4.48Å; M207-F235 HydrophobicContact CE-CE2 3.72Å; M207-F235 HydrophobicContact CE-CZ 3.58Å; M207-F235 HydrophobicContact SD-CZ 3.91Å |
| 208 | P | 91.1 | Very high | 91.9 | Very high | 68 Ų | 68 | 50.5 Ų | 50.5 | 44% | 0.442 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 146.3 | 177 | 29 | -32.3 | 0 | 0 | 0 | 111.9 | L156 A157 F158 D206 | L156-P208 HydrophobicContact CD1-CB 4Å; A157-P208 CarbonylContact O-C 3.52Å; A157-P208 WeakPolarHBondContact O-CA 3.37Å; F158-P208 HydrophobicContact CD1-CB 4.02Å; F158-P208 HydrophobicContact CE1-CB 3.81Å; D206-P208 WeakPolarHBondContact O-CD 3.46Å |
| 209 | V | 89.7 | Confident | 91.8 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 116.4 | 169.7 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | A157 Y159 K188 F192 F211 L231 Y233 | A157-V209 PolarHBondContact N-O 3.34Å; A157-V209 PolarHBondContact O-N 3.48Å; Y159-V209 HydrophobicContact CD2-CG2 3.92Å; Y159-V209 HydrophobicContact CE2-CG2 3.96Å; K188-V209 HydrophobicContact CD-CG1 4.02Å; K188-V209 HydrophobicContact CG-CG1 4.19Å; F192-V209 HydrophobicContact CD1-CG2 3.96Å; F192-V209 HydrophobicContact CE1-CG2 3.43Å; F192-V209 VanDerWaalsContact CE1-CG2 3.43Å; V209-F211 HydrophobicContact CG1-CD1 4.34Å; V209-L231 HydrophobicContact CG1-CD2 4.3Å; V209-Y233 HydrophobicContact CG2-CE2 4.3Å |
| 210 | F | 91.1 | Very high | 91.6 | Very high | 53 Ų | 53 | 50.5 Ų | 50.5 | 23% | 0.232 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 124.9 | 177.7 | -169.8 | -125.8 | 0 | 0 | 0 | 110 | T154 A155 L156 I189 Q190 | T154-F210 VanDerWaalsContact CB-CZ 3.49Å; T154-F210 HydrophobicContact CG2-CE1 4.45Å; T154-F210 HydrophobicContact CG2-CE2 4.48Å; T154-F210 HydrophobicContact CG2-CZ 3.84Å; A155-F210 VanDerWaalsContact O-CD2 3.27Å; A155-F210 WeakPolarHBondContact O-CD2 3.24Å; L156-F210 HydrophobicContact CB-CD2 4.36Å; L156-F210 HydrophobicContact CD1-CB 4.04Å; L156-F210 HydrophobicContact CD1-CD2 4.12Å; I189-F210 HydrophobicContact CB-CD1 3.77Å; I189-F210 HydrophobicContact CB-CE1 4.41Å; I189-F210 HydrophobicContact CD1-CD1 3.65Å; I189-F210 HydrophobicContact CD1-CE1 3.44Å; I189-F210 VanDerWaalsContact CD1-CE1 3.44Å; I189-F210 HydrophobicContact CD1-CZ 4.35Å; I189-F210 HydrophobicContact CG1-CD1 4.25Å; I189-F210 HydrophobicContact CG1-CE1 4.49Å; I189-F210 HydrophobicContact CG2-CD1 3.99Å; I189-F210 HydrophobicContact CG2-CE1 4.46Å; I189-F210 PolarHBondContact N-O 3.38Å; Q190-F210 HydrophobicContact CB-CB 4.32Å; Q190-F210 PolarHBondContact N-O 2.93Å |
| 211 | F | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 166.4 | -174.3 | 71.4 | -89.8 | 0 | 0 | 0 | 111.9 | V126 F128 I147 A155 A157 F186 N187 V209 | V126-F211 HydrophobicContact CB-CZ 4.37Å; V126-F211 HydrophobicContact CG1-CE2 4.31Å; V126-F211 HydrophobicContact CG1-CZ 3.96Å; V126-F211 HydrophobicContact CG2-CE2 4.17Å; V126-F211 HydrophobicContact CG2-CZ 4.37Å; F128-F211 AromaticContact CE1-CE1 3.82Å; F128-F211 HydrophobicContact CE1-CE1 3.82Å; F128-F211 HydrophobicContact CE1-CZ 4.11Å; F128-F211 AromaticContact CZ-CE1 3.75Å; F128-F211 HydrophobicContact CZ-CE1 3.75Å; F128-F211 AromaticContact CZ-CZ 3.81Å; F128-F211 HydrophobicContact CZ-CZ 3.81Å; I147-F211 HydrophobicContact CD1-CE1 4.25Å; I147-F211 HydrophobicContact CD1-CZ 3.8Å; A155-F211 HydrophobicContact CB-CE1 4.23Å; A155-F211 HydrophobicContact CB-CE2 4.2Å; A155-F211 HydrophobicContact CB-CZ 3.97Å; A155-F211 PolarHBondContact N-O 2.9Å; A155-F211 PolarHBondContact O-N 3.49Å; A157-F211 HydrophobicContact CB-CE1 4.21Å; F186-F211 HydrophobicContact CD2-CD2 4.39Å; F186-F211 HydrophobicContact CE1-CB 3.93Å; F186-F211 HydrophobicContact CE1-CD2 4.09Å; F186-F211 HydrophobicContact CE1-CG 4.06Å; F186-F211 AromaticContact CE2-CD2 3.41Å; F186-F211 HydrophobicContact CE2-CD2 3.41Å; F186-F211 VanDerWaalsContact CE2-CD2 3.41Å; F186-F211 AromaticContact CE2-CE2 3.56Å; F186-F211 HydrophobicContact CE2-CE2 3.56Å; F186-F211 HydrophobicContact CE2-CG 4.16Å; F186-F211 HydrophobicContact CE2-CZ 4.39Å; F186-F211 HydrophobicContact CZ-CB 3.88Å; F186-F211 HydrophobicContact CZ-CD1 4.12Å; F186-F211 AromaticContact CZ-CD2 3.22Å; F186-F211 HydrophobicContact CZ-CD2 3.22Å; F186-F211 HydrophobicContact CZ-CE1 4.46Å; F186-F211 AromaticContact CZ-CE2 3.65Å; F186-F211 HydrophobicContact CZ-CE2 3.65Å; F186-F211 AromaticContact CZ-CG 3.48Å; F186-F211 HydrophobicContact CZ-CG 3.48Å; F186-F211 VanDerWaalsContact CZ-CG 3.48Å; F186-F211 HydrophobicContact CZ-CZ 4.23Å; N187-F211 CarbonylContact O-C 3.55Å; N187-F211 VanDerWaalsContact O-CA 3.24Å; N187-F211 WeakPolarHBondContact O-CA 3.34Å; N187-F211 WeakPolarHBondContact O-CB 3.5Å; V209-F211 HydrophobicContact CG1-CD1 4.34Å |
| 212 | Y | 91.9 | Very high | 90.9 | Very high | 21 Ų | 21 | 55.6 Ų | 55.6 | 8% | 0.082 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 162.5 | 167.8 | 66.6 | -82.3 | 0 | 0 | 0 | 109.9 | V113 M116 E153 N187 I189 | V113-Y212 HydrophobicContact CG2-CE1 4.05Å; M116-Y212 HydrophobicContact CE-CE2 3.88Å; M116-Y212 HydrophobicContact SD-CD2 4.23Å; M116-Y212 HydrophobicContact SD-CE2 3.96Å; E153-Y212 WeakPolarHBondContact O-CB 2.88Å; N187-Y212 HydrophobicContact CB-CD1 3.86Å; N187-Y212 HydrophobicContact CB-CD2 4.22Å; N187-Y212 HydrophobicContact CB-CE1 3.38Å; N187-Y212 HydrophobicContact CB-CE2 3.74Å; N187-Y212 HydrophobicContact CB-CG 4.27Å; N187-Y212 PolarHBondContact N-O 2.91Å; N187-Y212 PolarHBondContact O-N 3.46Å; I189-Y212 HydrophobicContact CD1-CD1 3.49Å; I189-Y212 VanDerWaalsContact CD1-CD1 3.49Å; I189-Y212 HydrophobicContact CD1-CE1 3.71Å; I189-Y212 HydrophobicContact CG1-CD1 3.74Å; I189-Y212 HydrophobicContact CG1-CE1 3.69Å |
| 213 | I | 92.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 128.6 | 169.9 | -58.1 | 171.8 | 0 | 0 | 0 | 106.8 | I124 V126 V149 P151 G152 Y185 F186 F217 I229 | I124-I213 HydrophobicContact CB-CD1 3.96Å; I124-I213 HydrophobicContact CG1-CD1 4.32Å; I124-I213 HydrophobicContact CG2-CD1 3.9Å; V126-I213 HydrophobicContact CG2-CD1 4.18Å; V149-I213 HydrophobicContact CG2-CD1 3.67Å; V149-I213 HydrophobicContact CG2-CG1 4.48Å; P151-I213 HydrophobicContact CB-CG2 4.35Å; P151-I213 HydrophobicContact CG-CG2 4.43Å; G152-I213 PolarHBondContact N-O 2.99Å; Y185-I213 WeakPolarHBondContact O-CA 3.33Å; F186-I213 HydrophobicContact CD2-CG1 4.25Å; I213-F217 HydrophobicContact CG2-CB 3.87Å; I213-F217 HydrophobicContact CG2-CD2 4.2Å; I213-F217 HydrophobicContact CG2-CG 3.97Å; I213-I229 HydrophobicContact CD1-CD1 3.91Å; I213-I229 HydrophobicContact CG1-CD1 4.47Å |
| 214 | D | 91.4 | Very high | 90.3 | Very high | 27 Ų | 27 | 50.1 Ų | 50.1 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | trans | -60.4 | 133.8 | 177.7 | -164.5 | -51.2 | 0 | 0 | 0 | 111 | Y185 E216 F217 | Y185-D214 HydrophobicContact CD1-CB 4.16Å; Y185-D214 PolarHBondContact O-N 3.38Å; D214-E216 PolarHBondContact O-N 3.4Å; D214-E216 WeakPolarHBondContact OD1-CB 3.27Å; D214-E216 WeakPolarHBondContact OD1-CG 3.44Å; D214-E216 PolarHBondContact OD1-N 2.93Å; D214-F217 WeakPolarHBondContact O-CB 3.35Å; D214-F217 PolarHBondContact O-N 3.12Å | ||
| 215 | P | 89.3 | Confident | 89.9 | Confident | 25 Ų | 25 | 57 Ų | 57 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -27 | 174.8 | 24.4 | -35.7 | 0 | 0 | 0 | 114.2 | M116 F217 D218 | M116-P215 HydrophobicContact CG-CG 4.14Å; M116-P215 VanDerWaalsContact SD-CD 3.55Å; M116-P215 HydrophobicContact SD-CG 4.1Å; P215-F217 PolarHBondContact O-N 3.47Å; P215-D218 PolarHBondContact O-N 3.27Å |
| 216 | E | 88.3 | Confident | 89.9 | Confident | 120 Ų | 120 | 55.3 Ų | 55.3 | 56% | 0.561 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -60.2 | -15.2 | 174.7 | -68.3 | -172.4 | 174.2 | 0 | 0 | 113 | Y185 D214 D218 D219 D220 | Y185-E216 HydrophobicContact CD1-CB 4.21Å; Y185-E216 HydrophobicContact CE1-CB 3.89Å; D214-E216 PolarHBondContact O-N 3.4Å; D214-E216 WeakPolarHBondContact OD1-CB 3.27Å; D214-E216 WeakPolarHBondContact OD1-CG 3.44Å; D214-E216 PolarHBondContact OD1-N 2.93Å; E216-D218 PolarHBondContact O-N 2.9Å; E216-D219 PolarHBondContact O-N 3.49Å; E216-D220 PolarHBondContact O-N 3.28Å |
| 217 | F | 89.6 | Confident | 89.9 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.8 | -33.7 | 171.5 | -177.5 | -88.7 | 0 | 0 | 0 | 112.6 | I124 P151 A182 Y185 I213 D214 P215 M223 V226 I229 | I124-F217 HydrophobicContact CD1-CD1 4.39Å; I124-F217 HydrophobicContact CD1-CE1 3.63Å; I124-F217 HydrophobicContact CD1-CZ 4.3Å; I124-F217 HydrophobicContact CG1-CE1 4.17Å; P151-F217 HydrophobicContact CG-CD1 4.31Å; A182-F217 HydrophobicContact CB-CE2 3.86Å; Y185-F217 HydrophobicContact CD1-CB 4.24Å; Y185-F217 HydrophobicContact CD2-CB 4.41Å; Y185-F217 AromaticContact CD2-CD2 3.68Å; Y185-F217 HydrophobicContact CD2-CD2 3.68Å; Y185-F217 HydrophobicContact CD2-CE2 4.49Å; Y185-F217 HydrophobicContact CD2-CG 4.49Å; Y185-F217 HydrophobicContact CE2-CD2 4.47Å; Y185-F217 HydrophobicContact CG-CB 3.99Å; Y185-F217 AromaticContact CG-CD2 3.92Å; Y185-F217 HydrophobicContact CG-CD2 3.92Å; Y185-F217 HydrophobicContact CG-CG 4.47Å; I213-F217 HydrophobicContact CG2-CB 3.87Å; I213-F217 HydrophobicContact CG2-CD2 4.2Å; I213-F217 HydrophobicContact CG2-CG 3.97Å; D214-F217 WeakPolarHBondContact O-CB 3.35Å; D214-F217 PolarHBondContact O-N 3.12Å; P215-F217 PolarHBondContact O-N 3.47Å; F217-M223 HydrophobicContact CD1-CB 4.33Å; F217-M223 HydrophobicContact CD2-CB 4.12Å; F217-M223 HydrophobicContact CD2-CG 3.81Å; F217-M223 HydrophobicContact CD2-SD 4.07Å; F217-M223 HydrophobicContact CE1-CB 4.11Å; F217-M223 HydrophobicContact CE2-CB 3.9Å; F217-M223 HydrophobicContact CE2-CG 3.7Å; F217-M223 HydrophobicContact CE2-SD 3.48Å; F217-M223 WeakPolarHBondContact CE2-SD 3.34Å; F217-M223 HydrophobicContact CG-CB 4.34Å; F217-M223 HydrophobicContact CG-CG 4.42Å; F217-M223 HydrophobicContact CZ-CB 3.9Å; F217-M223 HydrophobicContact CZ-CG 4.22Å; F217-M223 HydrophobicContact CZ-SD 4.11Å; F217-M223 VanDerWaalsContact O-CB 3.29Å; F217-M223 WeakPolarHBondContact O-CB 3.46Å; F217-V226 HydrophobicContact CE2-CG1 4.37Å; F217-V226 HydrophobicContact CZ-CB 3.86Å; F217-V226 HydrophobicContact CZ-CG1 3.87Å; F217-V226 WeakPolarHBondContact CZ-O 3.38Å; F217-I229 HydrophobicContact CE2-CD1 4.21Å; F217-I229 HydrophobicContact CZ-CD1 4.48Å |
| 218 | D | 88.3 | Confident | 90.1 | Very high | 57 Ų | 57 | 57.7 Ų | 57.7 | 31% | 0.305 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -77.9 | -28.3 | -178.7 | -160.5 | 44.4 | 0 | 0 | 0 | 112.8 | R122 P215 E216 | R122-D218 WeakPolarHBondContact CD-OD1 3.27Å; R122-D218 IonicContact CZ-OD1 3.01Å; R122-D218 IonicContact NE-OD1 3.89Å; R122-D218 IonicContact NH1-OD1 3.32Å; R122-D218 PolarHBondContact NH1-OD1 3.43Å; P215-D218 PolarHBondContact O-N 3.27Å; E216-D218 PolarHBondContact O-N 2.9Å |
| 219 | D | 87.8 | Confident | 90.3 | Very high | 134 Ų | 134 | 54.5 Ų | 54.5 | 72% | 0.717 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -78.4 | -20.6 | -178.7 | -66.9 | -38.8 | 0 | 0 | 0 | 112.9 | E216 P221 | E216-D219 PolarHBondContact O-N 3.49Å; D219-P221 VanDerWaalsContact O-CD 3.31Å; D219-P221 WeakPolarHBondContact O-CD 3.37Å |
| 220 | D | 88.1 | Confident | 90.5 | Very high | 21 Ų | 21 | 56.4 Ų | 56.4 | 11% | 0.112 | 29% | 0.288 | C | S | . | . | trans | -79.3 | 116.7 | 179.3 | -171.9 | -16.1 | 0 | 0 | 0 | 111.9 | Y185 E216 R222 M223 A224 | Y185-D220 HydrophobicContact CE2-CB 4.44Å; Y185-D220 WeakPolarHBondContact OH-CB 3.43Å; Y185-D220 PolarHBondContact OH-OD2 3.28Å; E216-D220 PolarHBondContact O-N 3.28Å; D220-R222 PolarHBondContact O-N 3.46Å; D220-R222 VanDerWaalsContact O-N 3.12Å; D220-R222 VanDerWaalsContact OD1-CB 3.27Å; D220-R222 WeakPolarHBondContact OD1-CB 3.35Å; D220-R222 WeakPolarHBondContact OD1-CG 3.32Å; D220-R222 PolarHBondContact OD1-N 2.83Å; D220-R222 IonicContact OD1-NE 2.76Å; D220-R222 PolarHBondContact OD1-NE 3.48Å; D220-R222 IonicContact OD2-CZ 2.8Å; D220-R222 VanDerWaalsContact OD2-CZ 3.32Å; D220-R222 IonicContact OD2-NE 3.69Å; D220-R222 PolarHBondContact OD2-NE 3.01Å; D220-R222 IonicContact OD2-NH2 3.58Å; D220-R222 PolarHBondContact OD2-NH2 3.46Å; D220-M223 HydrophobicContact CB-CB 4.25Å; D220-M223 HydrophobicContact CB-CG 4.06Å; D220-M223 PolarHBondContact O-N 2.9Å; D220-A224 PolarHBondContact O-N 3.12Å | ||
| 221 | P | 88.2 | Confident | 90.6 | Very high | 113 Ų | 113 | 53.9 Ų | 53.9 | 73% | 0.734 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.5 | 176.9 | -23.4 | 34.4 | 0 | 0 | 0 | 114.2 | D219 M223 A224 | D219-P221 VanDerWaalsContact O-CD 3.31Å; D219-P221 WeakPolarHBondContact O-CD 3.37Å; P221-M223 VanDerWaalsContact C-N 3.27Å; P221-A224 VanDerWaalsContact O-CB 3.29Å; P221-A224 WeakPolarHBondContact O-CB 3.47Å; P221-A224 PolarHBondContact O-N 2.95Å |
| 222 | R | 87.7 | Confident | 90.6 | Very high | 116 Ų | 116 | 54.4 Ų | 54.4 | 44% | 0.438 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -33.4 | 176 | -59.7 | -179.4 | -61.3 | 156 | 6.5 | 110.9 | D220 A224 | D220-R222 PolarHBondContact O-N 3.46Å; D220-R222 VanDerWaalsContact O-N 3.12Å; D220-R222 VanDerWaalsContact OD1-CB 3.27Å; D220-R222 WeakPolarHBondContact OD1-CB 3.35Å; D220-R222 WeakPolarHBondContact OD1-CG 3.32Å; D220-R222 PolarHBondContact OD1-N 2.83Å; D220-R222 IonicContact OD1-NE 2.76Å; D220-R222 PolarHBondContact OD1-NE 3.48Å; D220-R222 IonicContact OD2-CZ 2.8Å; D220-R222 VanDerWaalsContact OD2-CZ 3.32Å; D220-R222 IonicContact OD2-NE 3.69Å; D220-R222 PolarHBondContact OD2-NE 3.01Å; D220-R222 IonicContact OD2-NH2 3.58Å; D220-R222 PolarHBondContact OD2-NH2 3.46Å; R222-A224 VanDerWaalsContact C-N 3.34Å |
| 223 | M | 90.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -82.1 | -13 | -179.2 | -66.7 | -57.2 | 93.3 | 0 | 0 | 112.4 | R122 D181 A182 Y185 F217 D220 P221 R225 V226 | R122-M223 PolarHBondContact NH2-O 2.83Å; D181-M223 HydrophobicContact CB-CE 3.3Å; D181-M223 HydrophobicContact CB-SD 4.33Å; A182-M223 HydrophobicContact CB-SD 4.03Å; Y185-M223 HydrophobicContact CD2-CG 4.09Å; Y185-M223 HydrophobicContact CD2-SD 4.41Å; Y185-M223 HydrophobicContact CE2-CG 3.68Å; Y185-M223 HydrophobicContact CE2-SD 4.34Å; F217-M223 HydrophobicContact CD1-CB 4.33Å; F217-M223 HydrophobicContact CD2-CB 4.12Å; F217-M223 HydrophobicContact CD2-CG 3.81Å; F217-M223 HydrophobicContact CD2-SD 4.07Å; F217-M223 HydrophobicContact CE1-CB 4.11Å; F217-M223 HydrophobicContact CE2-CB 3.9Å; F217-M223 HydrophobicContact CE2-CG 3.7Å; F217-M223 HydrophobicContact CE2-SD 3.48Å; F217-M223 WeakPolarHBondContact CE2-SD 3.34Å; F217-M223 HydrophobicContact CG-CB 4.34Å; F217-M223 HydrophobicContact CG-CG 4.42Å; F217-M223 HydrophobicContact CZ-CB 3.9Å; F217-M223 HydrophobicContact CZ-CG 4.22Å; F217-M223 HydrophobicContact CZ-SD 4.11Å; F217-M223 VanDerWaalsContact O-CB 3.29Å; F217-M223 WeakPolarHBondContact O-CB 3.46Å; D220-M223 HydrophobicContact CB-CB 4.25Å; D220-M223 HydrophobicContact CB-CG 4.06Å; D220-M223 PolarHBondContact O-N 2.9Å; P221-M223 VanDerWaalsContact C-N 3.27Å; M223-R225 PolarHBondContact O-N 3.33Å; M223-V226 HydrophobicContact CE-CG2 4.02Å; M223-V226 PolarHBondContact O-N 3.48Å; M223-V226 HydrophobicContact SD-CB 4.34Å; M223-V226 HydrophobicContact SD-CG2 4.03Å |
| 224 | A | 87 | Confident | 90.5 | Very high | 57 Ų | 57 | 54.8 Ų | 54.8 | 47% | 0.471 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -51.3 | -21.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | R122 D220 P221 R222 | R122-A224 VanDerWaalsContact NH2-C 3.34Å; R122-A224 PolarHBondContact NH2-O 3.03Å; D220-A224 PolarHBondContact O-N 3.12Å; P221-A224 VanDerWaalsContact O-CB 3.29Å; P221-A224 WeakPolarHBondContact O-CB 3.47Å; P221-A224 PolarHBondContact O-N 2.95Å; R222-A224 VanDerWaalsContact C-N 3.34Å |
| 225 | R | 87.6 | Confident | 90.5 | Very high | 230 Ų | 230 | 53.5 Ų | 53.5 | 87% | 0.868 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -111.4 | 5.6 | 178.1 | -57.1 | -173.7 | 72.7 | 173.6 | 3.5 | 114.1 | M223 | M223-R225 PolarHBondContact O-N 3.33Š|
| 226 | V | 91.6 | Very high | 90.5 | Very high | 21 Ų | 21 | 55.5 Ų | 55.5 | 13% | 0.127 | 28% | 0.284 | C | S | . | . | trans | -95.8 | 102 | 178.9 | -178.7 | 0 | 0 | 0 | 0 | 108 | R122 P179 A182 F217 M223 I229 | R122-V226 PolarHBondContact NH2-O 2.94Å; P179-V226 HydrophobicContact CG-CG1 3.61Å; P179-V226 HydrophobicContact CG-CG2 4.02Å; A182-V226 HydrophobicContact CB-CG1 4.31Å; F217-V226 HydrophobicContact CE2-CG1 4.37Å; F217-V226 HydrophobicContact CZ-CB 3.86Å; F217-V226 HydrophobicContact CZ-CG1 3.87Å; F217-V226 WeakPolarHBondContact CZ-O 3.38Å; M223-V226 HydrophobicContact CE-CG2 4.02Å; M223-V226 PolarHBondContact O-N 3.48Å; M223-V226 HydrophobicContact SD-CB 4.34Å; M223-V226 HydrophobicContact SD-CG2 4.03Å; V226-I229 HydrophobicContact CG1-CG1 4.37Å | ||
| 227 | D | 92.8 | Very high | 90.5 | Very high | 90 Ų | 90 | 51.7 Ų | 51.7 | 48% | 0.481 | 27% | 0.267 | S | S | . | . | trans | -108.3 | -6.7 | 177.6 | -54 | -47.9 | 0 | 0 | 0 | 112.1 | K125 | K125-D227 PolarHBondContact N-O 3.47Š| ||
| 228 | T | 94.3 | Very high | 90.2 | Very high | 57 Ų | 57 | 52.9 Ų | 52.9 | 35% | 0.35 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 127.7 | -178.6 | -59.1 | 0 | 0 | 0 | 0 | 110.5 | K125 P179 | K125-T228 WeakPolarHBondContact CE-OG1 3.47Å; K125-T228 CarbonylContact O-C 3.51Å; K125-T228 VanDerWaalsContact O-CA 3.24Å; K125-T228 WeakPolarHBondContact O-CA 3.41Å; P179-T228 WeakPolarHBondContact CD-O 3.37Å |
| 229 | I | 95 | Very high | 89.7 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.5 | 174.3 | -60.6 | 176.3 | 0 | 0 | 0 | 107.6 | I124 K125 V126 T127 V177 V178 A182 F186 I213 F217 V226 | I124-I229 HydrophobicContact CG2-CD1 3.88Å; I124-I229 HydrophobicContact CG2-CG1 3.93Å; K125-I229 PolarHBondContact O-N 2.8Å; V126-I229 CarbonylContact C-O 3.54Å; V126-I229 VanDerWaalsContact CA-O 3.27Å; V126-I229 WeakPolarHBondContact CA-O 3.3Å; T127-I229 PolarHBondContact N-O 3.06Å; V177-I229 HydrophobicContact CG1-CG2 3.49Å; V177-I229 VanDerWaalsContact CG1-CG2 3.49Å; V178-I229 CarbonylContact O-C 3.57Å; V178-I229 WeakPolarHBondContact O-CA 3.38Å; A182-I229 HydrophobicContact CB-CD1 3.98Å; A182-I229 HydrophobicContact CB-CG1 4.06Å; F186-I229 HydrophobicContact CD2-CG2 4.11Å; F186-I229 HydrophobicContact CE2-CG2 4.45Å; I213-I229 HydrophobicContact CD1-CD1 3.91Å; I213-I229 HydrophobicContact CG1-CD1 4.47Å; F217-I229 HydrophobicContact CE2-CD1 4.21Å; F217-I229 HydrophobicContact CZ-CD1 4.48Å; V226-I229 HydrophobicContact CG1-CG1 4.37Å |
| 230 | T | 95.4 | Very high | 88.6 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 24% | 0.239 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 119.1 | 175.3 | -53.9 | 0 | 0 | 0 | 0 | 109.5 | T127 N129 V177 V178 | T127-T230 CarbonylContact O-C 3.54Å; T127-T230 VanDerWaalsContact O-CA 3.3Å; T127-T230 WeakPolarHBondContact O-CA 3.14Å; N129-T230 HydrophobicContact CB-CG2 4.37Å; V177-T230 WeakPolarHBondContact CA-O 3.37Å; V178-T230 PolarHBondContact N-O 3.43Å; V178-T230 PolarHBondContact O-N 3.28Å |
| 231 | L | 93.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 109.6 | 169.9 | -179.5 | 63.8 | 0 | 0 | 0 | 108.5 | T127 F128 N129 Y159 Y175 V177 F186 V209 Y233 | T127-L231 PolarHBondContact O-N 3.32Å; F128-L231 WeakPolarHBondContact CA-O 3.45Å; F128-L231 HydrophobicContact CD1-CB 4.14Å; F128-L231 HydrophobicContact CD1-CD2 4.07Å; F128-L231 HydrophobicContact CE1-CB 4.43Å; F128-L231 HydrophobicContact CE1-CD2 3.98Å; N129-L231 PolarHBondContact N-O 3.27Å; Y159-L231 PolarHBondContact OH-O 3Å; Y175-L231 HydrophobicContact CD2-CD1 4.06Å; V177-L231 HydrophobicContact CG2-CD1 4Å; F186-L231 HydrophobicContact CE1-CD1 4.14Å; F186-L231 HydrophobicContact CE1-CD2 4.21Å; F186-L231 HydrophobicContact CZ-CD1 4.48Å; F186-L231 HydrophobicContact CZ-CD2 4.01Å; V209-L231 HydrophobicContact CG1-CD2 4.3Å; L231-Y233 HydrophobicContact CD1-CE2 4.05Å; L231-Y233 HydrophobicContact CD2-CD2 4.48Å; L231-Y233 HydrophobicContact CD2-CE2 3.8Å; L231-Y233 HydrophobicContact CG-CD2 4.18Å; L231-Y233 HydrophobicContact CG-CE2 3.82Å |
| 232 | S | 91.8 | Very high | 85.6 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 8% | 0.077 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 135.6 | 179.6 | -60.3 | 0 | 0 | 0 | 0 | 110.1 | N129 Y175 N176 | N129-S232 WeakPolarHBondContact CB-OG 3.45Å; Y175-S232 CarbonylContact C-O 3.49Å; Y175-S232 VanDerWaalsContact CA-O 3.24Å; Y175-S232 WeakPolarHBondContact CA-O 3.08Å; N176-S232 PolarHBondContact N-O 3.01Å; N176-S232 PolarHBondContact O-N 3.46Å; N176-S232 WeakPolarHBondContact OD1-CB 3.33Å; N176-S232 PolarHBondContact OD1-O 3.02Å |
| 233 | Y | 91.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.4 | 176 | -89.4 | -77.4 | 0 | 0 | 0 | 111.1 | N129 D131 Y159 T174 Y175 K188 C191 F192 C193 V209 L231 | N129-Y233 PolarHBondContact O-N 3.41Å; N129-Y233 VanDerWaalsContact O-N 3.07Å; D131-Y233 PolarHBondContact N-O 2.93Å; Y159-Y233 HydrophobicContact CE1-CD2 4.32Å; Y159-Y233 AromaticContact CE2-CD2 3.95Å; Y159-Y233 HydrophobicContact CE2-CD2 3.95Å; Y159-Y233 HydrophobicContact CE2-CE2 4.19Å; Y159-Y233 AromaticContact CZ-CD2 3.69Å; Y159-Y233 WeakPolarHBondContact OH-CD2 3.27Å; T174-Y233 WeakPolarHBondContact O-CA 3.3Å; T174-Y233 WeakPolarHBondContact O-CD1 3.41Å; Y175-Y233 HydrophobicContact CG-CE1 4.29Å; K188-Y233 VanDerWaalsContact CD-OH 3.22Å; K188-Y233 WeakPolarHBondContact CD-OH 3.42Å; K188-Y233 PolarHBondContact NZ-OH 2.96Å; C191-Y233 PolarHBondContact SG-OH 3.47Å; F192-Y233 HydrophobicContact CE1-CD1 4.37Å; F192-Y233 HydrophobicContact CE1-CE1 4.06Å; F192-Y233 HydrophobicContact CE1-CE2 4.23Å; F192-Y233 AromaticContact CE1-CZ 3.96Å; F192-Y233 AromaticContact CE2-CD1 3.6Å; F192-Y233 HydrophobicContact CE2-CD1 3.6Å; F192-Y233 AromaticContact CE2-CE1 3.75Å; F192-Y233 HydrophobicContact CE2-CE1 3.75Å; F192-Y233 HydrophobicContact CE2-CG 4.23Å; F192-Y233 AromaticContact CZ-CD1 3.36Å; F192-Y233 HydrophobicContact CZ-CD1 3.36Å; F192-Y233 AromaticContact CZ-CD2 3.97Å; F192-Y233 HydrophobicContact CZ-CD2 3.97Å; F192-Y233 AromaticContact CZ-CE1 3.42Å; F192-Y233 HydrophobicContact CZ-CE1 3.42Å; F192-Y233 VanDerWaalsContact CZ-CE1 3.42Å; F192-Y233 HydrophobicContact CZ-CE2 4Å; F192-Y233 AromaticContact CZ-CG 3.63Å; F192-Y233 HydrophobicContact CZ-CG 3.63Å; F192-Y233 AromaticContact CZ-CZ 3.73Å; C193-Y233 HydrophobicContact CB-CE1 3.76Å; C193-Y233 WeakPolarHBondContact SG-CE1 3.33Å; C193-Y233 PolarHBondContact SG-OH 2.8Å; V209-Y233 HydrophobicContact CG2-CE2 4.3Å; L231-Y233 HydrophobicContact CD1-CE2 4.05Å; L231-Y233 HydrophobicContact CD2-CD2 4.48Å; L231-Y233 HydrophobicContact CD2-CE2 3.8Å; L231-Y233 HydrophobicContact CG-CD2 4.18Å; L231-Y233 HydrophobicContact CG-CE2 3.82Å |
| 234 | T | 91.4 | Very high | 82.4 | Confident | 30 Ų | 30 | 69 Ų | 69 | 18% | 0.184 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 124.8 | 175.2 | -52.8 | 0 | 0 | 0 | 0 | 110.6 | D131 S173 T174 F236 | D131-T234 HydrophobicContact CB-CG2 4.22Å; D131-T234 VanDerWaalsContact O-CA 3.3Å; D131-T234 WeakPolarHBondContact O-CA 3.47Å; S173-T234 CarbonylContact C-O 3.55Å; S173-T234 VanDerWaalsContact CA-O 3.23Å; S173-T234 WeakPolarHBondContact CA-O 3.48Å; T174-T234 PolarHBondContact N-O 3.45Å; T174-T234 PolarHBondContact O-N 3.04Å; T234-F236 HydrophobicContact CG2-CE1 4.35Å; T234-F236 HydrophobicContact CG2-CE2 3.71Å; T234-F236 HydrophobicContact CG2-CZ 3.62Å; T234-F236 WeakPolarHBondContact O-CE2 3.25Å |
| 235 | F | 90.4 | Very high | 80.9 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 143.2 | 174.7 | -88.2 | -87 | 0 | 0 | 0 | 113.1 | D131 H133 I136 W138 F140 F192 M207 | D131-F235 PolarHBondContact O-N 3.12Å; H133-F235 VanDerWaalsContact CB-O 3.23Å; H133-F235 WeakPolarHBondContact CB-O 3.49Å; H133-F235 PolarHBondContact N-O 3.35Å; I136-F235 HydrophobicContact CD1-CB 4.35Å; I136-F235 HydrophobicContact CG2-CB 4.14Å; I136-F235 WeakPolarHBondContact CG2-O 3.31Å; W138-F235 HydrophobicContact CE3-CD1 4Å; W138-F235 HydrophobicContact CE3-CE1 4.26Å; W138-F235 HydrophobicContact CE3-CG 4.27Å; W138-F235 HydrophobicContact CH2-CE1 4.46Å; W138-F235 AromaticContact CZ3-CD1 3.63Å; W138-F235 HydrophobicContact CZ3-CD1 3.63Å; W138-F235 AromaticContact CZ3-CE1 3.56Å; W138-F235 HydrophobicContact CZ3-CE1 3.56Å; W138-F235 HydrophobicContact CZ3-CG 4.33Å; W138-F235 HydrophobicContact CZ3-CZ 4.21Å; F140-F235 AromaticContact CD1-CD2 3.61Å; F140-F235 HydrophobicContact CD1-CD2 3.61Å; F140-F235 HydrophobicContact CD1-CE2 4.05Å; F140-F235 HydrophobicContact CD2-CD2 4.01Å; F140-F235 AromaticContact CD2-CE2 3.77Å; F140-F235 HydrophobicContact CD2-CE2 3.77Å; F140-F235 AromaticContact CE1-CD2 3.69Å; F140-F235 HydrophobicContact CE1-CD2 3.69Å; F140-F235 AromaticContact CE1-CE2 3.81Å; F140-F235 HydrophobicContact CE1-CE2 3.81Å; F140-F235 HydrophobicContact CE2-CD2 4.05Å; F140-F235 AromaticContact CE2-CE2 3.47Å; F140-F235 HydrophobicContact CE2-CE2 3.47Å; F140-F235 VanDerWaalsContact CE2-CE2 3.47Å; F140-F235 HydrophobicContact CE2-CZ 4.5Å; F140-F235 AromaticContact CG-CD2 3.8Å; F140-F235 HydrophobicContact CG-CD2 3.8Å; F140-F235 HydrophobicContact CG-CE2 4.05Å; F140-F235 AromaticContact CZ-CD2 3.92Å; F140-F235 HydrophobicContact CZ-CD2 3.92Å; F140-F235 AromaticContact CZ-CE2 3.52Å; F140-F235 HydrophobicContact CZ-CE2 3.52Å; F192-F235 HydrophobicContact CD2-CE1 4.31Å; F192-F235 HydrophobicContact CD2-CE2 4.13Å; F192-F235 AromaticContact CD2-CZ 3.5Å; F192-F235 HydrophobicContact CD2-CZ 3.5Å; F192-F235 HydrophobicContact CE2-CE1 4.38Å; F192-F235 AromaticContact CE2-CE2 3.48Å; F192-F235 HydrophobicContact CE2-CE2 3.48Å; F192-F235 VanDerWaalsContact CE2-CE2 3.48Å; F192-F235 AromaticContact CE2-CZ 3.35Å; F192-F235 HydrophobicContact CE2-CZ 3.35Å; F192-F235 HydrophobicContact CZ-CE2 4.23Å; F192-F235 HydrophobicContact CZ-CZ 4.4Å; M207-F235 HydrophobicContact CE-CE2 3.72Å; M207-F235 HydrophobicContact CE-CZ 3.58Å; M207-F235 HydrophobicContact SD-CZ 3.91Å |
| 236 | F | 89.8 | Confident | 79.4 | Confident | 67 Ų | 67 | 66.4 Ų | 66.4 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 141.3 | 176.2 | -58.9 | -91.2 | 0 | 0 | 0 | 109.6 | H133 G171 I172 T174 T234 A238 | H133-F236 HydrophobicContact CB-CD1 3.48Å; H133-F236 VanDerWaalsContact CB-CD1 3.48Å; H133-F236 HydrophobicContact CB-CE1 3.72Å; H133-F236 HydrophobicContact CB-CG 4.22Å; H133-F236 AromaticContact CD2-CE1 3.71Å; H133-F236 AromaticContact CG-CD1 3.59Å; H133-F236 AromaticContact CG-CE1 3.72Å; G171-F236 CarbonylContact C-O 3.56Å; G171-F236 VanDerWaalsContact CA-O 3.25Å; G171-F236 WeakPolarHBondContact CA-O 3.25Å; I172-F236 HydrophobicContact CG2-CB 4.27Å; I172-F236 PolarHBondContact N-O 3.47Å; I172-F236 PolarHBondContact O-N 3.14Å; T174-F236 HydrophobicContact CG2-CE2 4.28Å; T174-F236 WeakPolarHBondContact OG1-CE2 3.44Å; T234-F236 HydrophobicContact CG2-CE1 4.35Å; T234-F236 HydrophobicContact CG2-CE2 3.71Å; T234-F236 HydrophobicContact CG2-CZ 3.62Å; T234-F236 WeakPolarHBondContact O-CE2 3.25Å; F236-A238 PolarHBondContact O-N 3.09Å |
| 237 | E | 88.9 | Confident | 77.5 | Confident | 41 Ų | 41 | 71.9 Ų | 71.9 | 19% | 0.192 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 122.1 | 171.3 | -174 | -176.1 | -149 | 0 | 0 | 109.7 | S135 I136 I169 K239 | S135-E237 VanDerWaalsContact O-OE2 3.09Å; I136-E237 HydrophobicContact CB-CB 4.11Å; I169-E237 HydrophobicContact CG2-CG 4.34Å; E237-K239 HydrophobicContact CG-CG 4.33Å; E237-K239 PolarHBondContact O-N 3.43Å; E237-K239 WeakPolarHBondContact OE2-CE 3.43Å; E237-K239 IonicContact OE2-NZ 3.86Å |
| 238 | A | 83.3 | Confident | 75.7 | Confident | 24 Ų | 24 | 71.1 Ų | 71.1 | 20% | 0.198 | 41% | 0.413 | C | S | . | . | trans | -83 | 107.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | I170 I172 F236 | I170-A238 HydrophobicContact CB-CB 4.38Å; I170-A238 HydrophobicContact CG2-CB 3.94Å; I170-A238 PolarHBondContact O-N 3.44Å; I172-A238 HydrophobicContact CG2-CB 4.48Å; F236-A238 PolarHBondContact O-N 3.09Å | ||
| 239 | K | 76.3 | Confident | 73.3 | Confident | 109 Ų | 109 | 77.3 Ų | 77.3 | 47% | 0.474 | 43% | 0.432 | S | S | . | . | trans | -91.2 | 134.3 | 172.8 | -67.2 | -177 | 179.6 | 179.7 | 0 | 109.4 | E237 G241 Q242 | E237-K239 HydrophobicContact CG-CG 4.33Å; E237-K239 PolarHBondContact O-N 3.43Å; E237-K239 WeakPolarHBondContact OE2-CE 3.43Å; E237-K239 IonicContact OE2-NZ 3.86Å; K239-G241 PolarHBondContact O-N 3.15Å; K239-G241 VanDerWaalsContact O-N 3.14Å; K239-Q242 HydrophobicContact CB-CG 4.26Å; K239-Q242 PolarHBondContact O-N 3.35Å; K239-Q242 VanDerWaalsContact O-N 3.1Å | ||
| 240 | E | 65.1 | Low | 70.6 | Confident | 195 Ų | 195 | 82.6 Ų | 82.6 | 91% | 0.911 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 121.1 | 169 | -69.6 | 179.7 | 176.6 | 0 | 0 | 109.5 | ||
| 241 | G | 59.4 | Low | 68.4 | Low | 80 Ų | 80 | 88.9 Ų | 88.9 | 83% | 0.825 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95 | -0.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | K239 Q243 | K239-G241 PolarHBondContact O-N 3.15Å; K239-G241 VanDerWaalsContact O-N 3.14Å; G241-Q243 PolarHBondContact O-N 3.42Å |
| 242 | Q | 55.4 | Low | 65.9 | Low | 125 Ų | 125 | 99.6 Ų | 99.6 | 58% | 0.584 | 55% | 0.547 | S | S | * | . | trans | -85.4 | 93.9 | 166.3 | -78.6 | -170.9 | -12 | 0 | 0 | 110.2 | K239 L244 | K239-Q242 HydrophobicContact CB-CG 4.26Å; K239-Q242 PolarHBondContact O-N 3.35Å; K239-Q242 VanDerWaalsContact O-N 3.1Å; Q242-L244 PolarHBondContact O-N 3.25Å | ||
| 243 | Q | 51.6 | Low | 64.6 | Low | 167 Ų | 167 | 104.1 Ų | 104.1 | 78% | 0.78 | 57% | 0.57 | S | S | * | * | trans | -65.4 | 103.4 | 170.3 | -142.2 | 115.4 | 17.5 | 0 | 0 | 108.4 | G241 P245 | G241-Q243 PolarHBondContact O-N 3.42Å; Q243-P245 WeakPolarHBondContact O-CD 3.49Å | ||
| 244 | L | 58.3 | Low | 63.2 | Low | 105 Ų | 105 | 109.5 Ų | 109.5 | 55% | 0.55 | 60% | 0.6 | S | S | . | * | trans | -67.2 | 122.8 | 170.2 | -68 | 171.1 | 0 | 0 | 0 | 107.5 | I172 Q242 L246 | I172-L244 HydrophobicContact CD1-CD1 4.06Å; I172-L244 HydrophobicContact CG2-CD1 4.32Å; Q242-L244 PolarHBondContact O-N 3.25Å; L244-L246 PolarHBondContact O-N 2.82Å | ||
| 245 | P | 56.1 | Low | 61.7 | Low | 122 Ų | 122 | 113.9 Ų | 113.9 | 79% | 0.792 | 62% | 0.623 | S | S | * | * | trans | -66.2 | 101.4 | 172.9 | 26 | -30.4 | 0 | 0 | 0 | 107.5 | Q243 | Q243-P245 WeakPolarHBondContact O-CD 3.49Š| ||
| 246 | L | 55.7 | Low | 60 | Low | 111 Ų | 111 | 120.6 Ų | 120.6 | 58% | 0.581 | 66% | 0.66 | S | S | * | * | trans | -61.4 | 125.9 | 168.9 | -66.7 | 173.2 | 0 | 0 | 0 | 107.4 | L244 G248 | L244-L246 PolarHBondContact O-N 2.82Å; L246-G248 PolarHBondContact O-N 3.09Å | ||
| 247 | P | 52.2 | Low | 58.1 | Low | 136 Ų | 136 | 124 Ų | 124 | 88% | 0.883 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 107.9 | 176.8 | 24 | -31.1 | 0 | 0 | 0 | 108.9 | ||
| 248 | G | 54.6 | Low | 56.1 | Low | 74 Ų | 74 | 129.5 Ų | 129.5 | 76% | 0.763 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 116.8 | 1.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | L246 | L246-G248 PolarHBondContact O-N 3.09Š|
| 249 | Y | 43.7 | Very low | 54.1 | Low | 186 Ų | 186 | 137.1 Ų | 137.1 | 73% | 0.729 | 75% | 0.753 | S | S | * | * | trans | -117.6 | 105.1 | 173.4 | -99.2 | -98.6 | 0 | 0 | 0 | 111.9 | Y251 | Y249-Y251 PolarHBondContact O-N 3.26Š| ||
| 250 | S | 39.2 | Very low | 52.4 | Low | 112 Ų | 112 | 139.2 Ų | 139.2 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -75.6 | 105 | 164.5 | -176.9 | 0 | 0 | 0 | 0 | 107.7 | N252 | S250-N252 PolarHBondContact O-N 3.24Š| ||
| 251 | Y | 48.7 | Very low | 51.3 | Low | 171 Ų | 171 | 134.6 Ų | 134.6 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | trans | -70.1 | 114 | 166.3 | -71.1 | -86.3 | 0 | 0 | 0 | 107.7 | Y249 | Y249-Y251 PolarHBondContact O-N 3.26Š| ||
| 252 | N | 41.3 | Very low | 50.6 | Low | 226 Ų | 226 | 139.5 Ų | 139.5 | 100% | 1.209 | 76% | 0.757 | S | S | * | * | trans | -90.2 | 0 | 171 | -150.9 | 25.6 | 0 | 0 | 0 | 108.9 | S250 | S250-N252 PolarHBondContact O-N 3.24Š|
Retrieved 252 of 252 residues in 674.4 ms
(Link to these results)