| 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 | 45.9 | Very low | 41.4 | Very low | 243 Ų | 243 | 146.1 Ų | 146.1 | 100% | 1.197 | 78% | 0.777 | S | S | * | * | 0 | 69.4 | 0 | -42.7 | -57.9 | -89.6 | 0 | 0 | 107.2 | |||||
| 2 | G | 41.3 | Very low | 40.9 | Very low | 61 Ų | 61 | 143.4 Ų | 143.4 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | cis | 101.9 | 98.8 | 34.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 3 | E | 42.1 | Very low | 40.9 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | 90.1 | 144 | 120.3 | -66.5 | -172.3 | 112.4 | 0 | 0 | 112.5 | |||||
| 4 | Q | 42.4 | Very low | 40.4 | Very low | 142 Ų | 142 | 145 Ų | 145 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | cis | -160.2 | 151.4 | -2.3 | -122.6 | -172.4 | 37 | 0 | 0 | 110.8 | ||||
| 5 | T | 46.5 | Very low | 40.2 | Very low | 93 Ų | 93 | 145.5 Ų | 145.5 | 57% | 0.571 | 79% | 0.788 | S | S | * | * | trans | 59.3 | 120.1 | 138 | 57.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 6 | E | 43.5 | Very low | 39.8 | Very low | 189 Ų | 189 | 145 Ų | 145 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | 92.4 | 139.2 | 90.6 | -73.6 | 179.3 | 134.9 | 0 | 0 | 113.2 | |||||
| 7 | G | 42.3 | Very low | 39.7 | Very low | 69 Ų | 69 | 143.9 Ų | 143.9 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | cis | 166.3 | 157.8 | -7.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 8 | R | 39.1 | Very low | 39.5 | Very low | 229 Ų | 229 | 145.4 Ų | 145.4 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | 60.5 | 158.4 | 169.1 | -87.5 | -176.8 | 155.7 | 140.4 | -6.2 | 117 | E10 | R8-E10 IonicContact NE-OE1 2.71Š| ||
| 9 | S | 40.3 | Very low | 38.9 | Very low | 96 Ų | 96 | 143.4 Ų | 143.4 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | cis | -171.6 | 152.5 | -6 | 44.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 10 | E | 37.9 | Very low | 38.6 | Very low | 144 Ų | 144 | 144.7 Ų | 144.7 | 67% | 0.673 | 79% | 0.793 | S | S | * | * | cis | -165.4 | 147.4 | -12.3 | -106.9 | 148.9 | -122.9 | 0 | 0 | 109.4 | R8 | R8-E10 IonicContact NE-OE1 2.71Š| ||
| 11 | L | 34.7 | Very low | 38.1 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | trans | 70.3 | 148.7 | 172.1 | -86.1 | 104 | 0 | 0 | 0 | 122.9 | ||||
| 12 | P | 35.2 | Very low | 37.4 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | trans | -108.9 | 149.4 | -164.3 | 37.9 | -26.1 | 0 | 0 | 0 | 115.7 | ||||
| 13 | T | 40.7 | Very low | 37 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | -69.7 | 138.9 | 167.1 | 24 | 0 | 0 | 0 | 0 | 112.3 | L15 | T13-L15 PolarHBondContact O-N 3.34Š| ||
| 14 | L | 33.8 | Very low | 36.7 | Very low | 182 Ų | 182 | 137.9 Ų | 137.9 | 95% | 0.953 | 77% | 0.766 | S | S | * | * | trans | -62.3 | 130.4 | 164.9 | -79.8 | 169.4 | 0 | 0 | 0 | 109.6 | ||||
| 15 | L | 38 | Very low | 36.3 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | -109 | 152.9 | 174.8 | -80.4 | 167.9 | 0 | 0 | 0 | 111.3 | T13 | T13-L15 PolarHBondContact O-N 3.34Š| ||
| 16 | D | 33.1 | Very low | 35.5 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | -64.5 | 149.5 | -166.4 | -56.7 | -80.1 | 0 | 0 | 0 | 115.3 | M18 | D16-M18 PolarHBondContact O-N 3.04Å; D16-M18 VanDerWaalsContact O-N 3.11Å | ||
| 17 | P | 37.9 | Very low | 35 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -73.8 | 98.6 | 162.3 | 31.6 | -30.8 | 0 | 0 | 0 | 109.3 | ||||
| 18 | M | 35.8 | Very low | 34.5 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | trans | -60 | 143.4 | 167.9 | -80.4 | -150.9 | -66.5 | 0 | 0 | 111.3 | D16 | D16-M18 PolarHBondContact O-N 3.04Å; D16-M18 VanDerWaalsContact O-N 3.11Å | ||
| 19 | S | 29.6 | Very low | 34 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -45.1 | 140.3 | 164.1 | 53.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 20 | L | 32.1 | Very low | 33.6 | Very low | 169 Ų | 169 | 136.3 Ų | 136.3 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | trans | -158.4 | 145 | 132 | -106.6 | 170.7 | 0 | 0 | 0 | 111.4 | ||||
| 21 | S | 28.7 | Very low | 33.3 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -68.6 | 167.8 | 178.9 | 47.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 22 | S | 31.2 | Very low | 32.8 | Very low | 85 Ų | 85 | 132.9 Ų | 132.9 | 59% | 0.594 | 78% | 0.777 | S | S | * | * | trans | 93.4 | 101 | 175.4 | -159.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 23 | L | 32.4 | Very low | 32.5 | Very low | 146 Ų | 146 | 133.2 Ų | 133.2 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -130.5 | 36.2 | 170.7 | -112.5 | 170.4 | 0 | 0 | 0 | 110.5 | L26 | L23-L26 HydrophobicContact CD2-CD1 3.93Š| ||
| 24 | D | 35.8 | Very low | 31.9 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -102 | -10.9 | -177.8 | -72.7 | -56.3 | 0 | 0 | 0 | 114.2 | ||||
| 25 | D | 33.2 | Very low | 31.7 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 69% | 0.69 | 78% | 0.777 | S | S | * | * | trans | -99.1 | 5.9 | -169.3 | -76.7 | -47.4 | 0 | 0 | 0 | 116.5 | S27 | D25-S27 VanDerWaalsContact C-N 3.35Å; D25-S27 PolarHBondContact O-N 3.25Å | ||
| 26 | L | 31.1 | Very low | 31.2 | Very low | 152 Ų | 152 | 133 Ų | 133 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 19.3 | -176.3 | -70.1 | 178.5 | 0 | 0 | 0 | 115.6 | L23 | L23-L26 HydrophobicContact CD2-CD1 3.93Š|
| 27 | S | 32.7 | Very low | 31.3 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -3.5 | 176.9 | 67.2 | 0 | 0 | 0 | 0 | 115.1 | D25 | D25-S27 VanDerWaalsContact C-N 3.35Å; D25-S27 PolarHBondContact O-N 3.25Å |
| 28 | C | 30.7 | Very low | 30.8 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 66% | 0.655 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -107.6 | -6.2 | -162.1 | -63.9 | 0 | 0 | 0 | 0 | 116.4 | ||
| 29 | L | 28.3 | Very low | 30.4 | Very low | 159 Ų | 159 | 127 Ų | 127 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -132.2 | 71.2 | -168.8 | -66.4 | 175.8 | 0 | 0 | 0 | 114.4 | ||||
| 30 | V | 33.9 | Very low | 30.4 | Very low | 139 Ų | 139 | 129.5 Ų | 129.5 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | trans | -129.1 | 74.5 | 154.4 | -173.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 31 | T | 29.8 | Very low | 30.2 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | 10.8 | 106.2 | 147.7 | 55.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 32 | S | 25.7 | Very low | 30.2 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | 36 | 90.1 | 116.4 | -48.3 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 33 | S | 29.1 | Very low | 30.1 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -130.4 | 121.9 | 141.8 | 58.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 34 | S | 26.6 | Very low | 30 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | -86.1 | 133 | -177.8 | -174.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 35 | F | 30.8 | Very low | 29.6 | Very low | 200 Ų | 200 | 132.9 Ų | 132.9 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -144.4 | 110.7 | 158.5 | -105.4 | -79.4 | 0 | 0 | 0 | 110 | V37 | F35-V37 PolarHBondContact O-N 3.15Š| ||
| 36 | D | 26.6 | Very low | 29.4 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | trans | -61.8 | 128.5 | 168.5 | -88.5 | -62.6 | 0 | 0 | 0 | 110.5 | ||||
| 37 | V | 34.5 | Very low | 29.5 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | -125.4 | 105.8 | 158.1 | -178.9 | 0 | 0 | 0 | 0 | 106.8 | F35 | F35-V37 PolarHBondContact O-N 3.15Š| ||
| 38 | G | 27.9 | Very low | 29.5 | Very low | 66 Ų | 66 | 135.2 Ų | 135.2 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | trans | -63.8 | 156.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114 | N40 | G38-N40 PolarHBondContact O-N 2.82Š| ||
| 39 | S | 26.8 | Very low | 29.9 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -41.1 | 129.7 | 169 | -49.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 40 | N | 29.9 | Very low | 30.7 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | -143.6 | 137.3 | 129.1 | -91.4 | -35.6 | 0 | 0 | 0 | 108.8 | G38 | G38-N40 PolarHBondContact O-N 2.82Š| |||
| 41 | S | 28.4 | Very low | 31.3 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -73.7 | 161.6 | 174.3 | 43.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 42 | E | 30 | Very low | 31.9 | Very low | 181 Ų | 181 | 134.8 Ų | 134.8 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 76.5 | 156.2 | 177.2 | -50.1 | 176.7 | 131.9 | 0 | 0 | 112.8 | ||
| 43 | D | 28.2 | Very low | 32.9 | Very low | 160 Ų | 160 | 130.5 Ų | 130.5 | 86% | 0.856 | 72% | 0.721 | S | S | * | * | trans | 62.2 | 52.8 | -178.4 | -61 | -12.2 | 0 | 0 | 0 | 119.5 | F45 | D43-F45 PolarHBondContact O-N 3.39Š| ||
| 44 | S | 29.5 | Very low | 34 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 77% | 0.769 | 70% | 0.696 | S | S | * | * | trans | -77.3 | 76 | 164.6 | -159.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 45 | F | 28.5 | Very low | 35.5 | Very low | 167 Ų | 167 | 130.5 Ų | 130.5 | 73% | 0.732 | 69% | 0.691 | S | S | * | * | trans | -166.8 | 42.1 | 155 | -85.5 | -51.1 | 0 | 0 | 0 | 115.1 | D43 W47 | D43-F45 PolarHBondContact O-N 3.39Å; F45-W47 PolarHBondContact O-N 3.31Å | ||
| 46 | G | 28.1 | Very low | 36.2 | Very low | 72 Ų | 72 | 125.5 Ų | 125.5 | 74% | 0.742 | 67% | 0.669 | S | S | * | * | trans | -83.4 | 101 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 47 | W | 32.7 | Very low | 37.5 | Very low | 239 Ų | 239 | 125 Ų | 125 | 91% | 0.905 | 66% | 0.656 | S | S | * | * | trans | -113.9 | 45.4 | 164.2 | -82.5 | 101.7 | 0 | 0 | 0 | 112.5 | F45 | F45-W47 PolarHBondContact O-N 3.31Š| ||
| 48 | Y | 32.6 | Very low | 38.9 | Very low | 128 Ų | 128 | 126 Ų | 126 | 50% | 0.502 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -147.3 | 142.7 | 161.4 | -80.9 | -76 | 0 | 0 | 0 | 107 | D52 F195 | Y48-D52 HydrophobicContact CD1-CB 3.8Å; Y48-F195 HydrophobicContact CE1-CE1 4.15Å |
| 49 | R | 41 | Very low | 40.1 | Very low | 194 Ų | 194 | 129.2 Ų | 129.2 | 73% | 0.732 | 65% | 0.652 | S | S | * | * | trans | -65 | 149.1 | 159.8 | -79 | -176 | -91.8 | -157.7 | -10.9 | 107.1 | A51 D52 A53 | R49-A51 PolarHBondContact O-N 3.38Å; R49-A51 VanDerWaalsContact O-N 3.17Å; R49-D52 WeakPolarHBondContact CB-OD2 2.99Å; R49-D52 PolarHBondContact N-OD2 2.94Å; R49-D52 WeakPolarHBondContact O-CA 2.97Å; R49-D52 WeakPolarHBondContact O-CB 3.47Å; R49-D52 PolarHBondContact O-N 3.2Å; R49-A53 PolarHBondContact O-N 3.35Å; R49-A53 VanDerWaalsContact O-N 3.08Å | ||
| 50 | K | 44.9 | Very low | 41.2 | Very low | 167 Ų | 167 | 126.4 Ų | 126.4 | 73% | 0.726 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -51.7 | -41.8 | 177.3 | -178.3 | 160 | -178.9 | 168 | 0 | 111.8 | D52 A53 D54 | K50-D52 VanDerWaalsContact C-N 3.33Å; K50-D52 PolarHBondContact O-N 2.82Å; K50-A53 PolarHBondContact O-N 3.12Å; K50-D54 VanDerWaalsContact CG-OD2 3.27Å; K50-D54 WeakPolarHBondContact CG-OD2 3.33Å; K50-D54 WeakPolarHBondContact O-CB 3.38Å; K50-D54 VanDerWaalsContact O-CG 3.27Å; K50-D54 PolarHBondContact O-N 3.05Å |
| 51 | A | 45.8 | Very low | 41.8 | Very low | 69 Ų | 69 | 122.3 Ų | 122.3 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -58.3 | -35.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R49 R55 | R49-A51 PolarHBondContact O-N 3.38Å; R49-A51 VanDerWaalsContact O-N 3.17Å; A51-R55 WeakPolarHBondContact O-CB 3.42Å; A51-R55 PolarHBondContact O-N 3.13Å |
| 52 | D | 43.3 | Very low | 42.7 | Very low | 70 Ų | 70 | 119.4 Ų | 119.4 | 37% | 0.374 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -73.5 | -37.4 | 177.3 | -57.1 | -40.2 | 0 | 0 | 0 | 111.1 | Y48 R49 K50 F56 | Y48-D52 HydrophobicContact CD1-CB 3.8Å; R49-D52 WeakPolarHBondContact CB-OD2 2.99Å; R49-D52 PolarHBondContact N-OD2 2.94Å; R49-D52 WeakPolarHBondContact O-CA 2.97Å; R49-D52 WeakPolarHBondContact O-CB 3.47Å; R49-D52 PolarHBondContact O-N 3.2Å; K50-D52 VanDerWaalsContact C-N 3.33Å; K50-D52 PolarHBondContact O-N 2.82Å; D52-F56 WeakPolarHBondContact O-CB 3.21Å; D52-F56 PolarHBondContact O-N 3.42Å |
| 53 | A | 46.6 | Very low | 43 | Very low | 37 Ų | 37 | 118 Ų | 118 | 31% | 0.306 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70.6 | -40.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R49 K50 F56 R57 | R49-A53 PolarHBondContact O-N 3.35Å; R49-A53 VanDerWaalsContact O-N 3.08Å; K50-A53 PolarHBondContact O-N 3.12Å; A53-F56 PolarHBondContact O-N 2.91Å; A53-R57 PolarHBondContact O-N 3.19Å |
| 54 | D | 52.3 | Low | 43.5 | Very low | 61 Ų | 61 | 116 Ų | 116 | 33% | 0.326 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.6 | -41.2 | 176 | -66.4 | -33 | 0 | 0 | 0 | 110.6 | K50 F56 R57 E58 | K50-D54 VanDerWaalsContact CG-OD2 3.27Å; K50-D54 WeakPolarHBondContact CG-OD2 3.33Å; K50-D54 WeakPolarHBondContact O-CB 3.38Å; K50-D54 VanDerWaalsContact O-CG 3.27Å; K50-D54 PolarHBondContact O-N 3.05Å; D54-F56 VanDerWaalsContact C-N 3.31Å; D54-F56 PolarHBondContact O-N 3.37Å; D54-R57 PolarHBondContact O-N 3.44Å; D54-R57 IonicContact OD1-CZ 2.78Å; D54-R57 IonicContact OD1-NH1 3.28Å; D54-R57 PolarHBondContact OD1-NH1 3.02Å; D54-E58 WeakPolarHBondContact O-CB 3.49Å; D54-E58 PolarHBondContact O-N 3.36Å |
| 55 | R | 56.7 | Low | 44 | Very low | 165 Ų | 165 | 116 Ų | 116 | 62% | 0.623 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.7 | -34.8 | 171.2 | -171.5 | -179.1 | -174.4 | -149.2 | 1.4 | 112.6 | A51 L59 | A51-R55 WeakPolarHBondContact O-CB 3.42Å; A51-R55 PolarHBondContact O-N 3.13Å; R55-L59 HydrophobicContact CG-CD1 4.24Å; R55-L59 WeakPolarHBondContact O-CB 3.39Å; R55-L59 WeakPolarHBondContact O-CD1 3.34Å; R55-L59 VanDerWaalsContact O-CG 3.24Å; R55-L59 WeakPolarHBondContact O-CG 3.47Å; R55-L59 PolarHBondContact O-N 2.86Å |
| 56 | F | 45.9 | Very low | 44.1 | Very low | 95 Ų | 95 | 116.7 Ų | 116.7 | 42% | 0.417 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.2 | -43.8 | 174.5 | -166.8 | -91.7 | 0 | 0 | 0 | 111.3 | D52 A53 D54 E58 L59 T60 | D52-F56 WeakPolarHBondContact O-CB 3.21Å; D52-F56 PolarHBondContact O-N 3.42Å; A53-F56 PolarHBondContact O-N 2.91Å; D54-F56 VanDerWaalsContact C-N 3.31Å; D54-F56 PolarHBondContact O-N 3.37Å; F56-E58 VanDerWaalsContact C-N 3.29Å; F56-E58 PolarHBondContact O-N 2.89Å; F56-L59 PolarHBondContact O-N 2.94Å; F56-T60 HydrophobicContact CD1-CG2 4.01Å; F56-T60 HydrophobicContact CE1-CG2 3.63Å; F56-T60 HydrophobicContact CZ-CG2 3.95Å; F56-T60 PolarHBondContact O-N 2.76Å; F56-T60 PolarHBondContact O-OG1 2.9Å; F56-T60 VanDerWaalsContact O-OG1 3.1Å |
| 57 | R | 54.6 | Low | 44.1 | Very low | 141 Ų | 141 | 119.2 Ų | 119.2 | 53% | 0.532 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.7 | -39.2 | 174.8 | -170.5 | -173.1 | -66 | 116.7 | 2.2 | 112.2 | A53 D54 G61 G62 | A53-R57 PolarHBondContact O-N 3.19Å; D54-R57 PolarHBondContact O-N 3.44Å; D54-R57 IonicContact OD1-CZ 2.78Å; D54-R57 IonicContact OD1-NH1 3.28Å; D54-R57 PolarHBondContact OD1-NH1 3.02Å; R57-G61 PolarHBondContact O-N 3.23Å; R57-G62 PolarHBondContact O-N 2.73Å |
| 58 | E | 62.7 | Low | 43.9 | Very low | 159 Ų | 159 | 117.4 Ų | 117.4 | 74% | 0.743 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.7 | -42.5 | 175.2 | -172.3 | 175.6 | -151.6 | 0 | 0 | 112 | D54 F56 G61 | D54-E58 WeakPolarHBondContact O-CB 3.49Å; D54-E58 PolarHBondContact O-N 3.36Å; F56-E58 VanDerWaalsContact C-N 3.29Å; F56-E58 PolarHBondContact O-N 2.89Å; E58-G61 PolarHBondContact O-N 3.18Å |
| 59 | L | 53.1 | Low | 43.7 | Very low | 134 Ų | 134 | 116.4 Ų | 116.4 | 70% | 0.702 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70 | -29.9 | 177.2 | -73.8 | 167.8 | 0 | 0 | 0 | 113.8 | R55 F56 | R55-L59 HydrophobicContact CG-CD1 4.24Å; R55-L59 WeakPolarHBondContact O-CB 3.39Å; R55-L59 WeakPolarHBondContact O-CD1 3.34Å; R55-L59 VanDerWaalsContact O-CG 3.24Å; R55-L59 WeakPolarHBondContact O-CG 3.47Å; R55-L59 PolarHBondContact O-N 2.86Å; F56-L59 PolarHBondContact O-N 2.94Å |
| 60 | T | 50.6 | Low | 43.2 | Very low | 46 Ų | 46 | 115 Ų | 115 | 28% | 0.282 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.1 | 11.4 | 178.7 | 61.6 | 0 | 0 | 0 | 0 | 113.9 | F56 G62 E63 | F56-T60 HydrophobicContact CD1-CG2 4.01Å; F56-T60 HydrophobicContact CE1-CG2 3.63Å; F56-T60 HydrophobicContact CZ-CG2 3.95Å; F56-T60 PolarHBondContact O-N 2.76Å; F56-T60 PolarHBondContact O-OG1 2.9Å; F56-T60 VanDerWaalsContact O-OG1 3.1Å; T60-G62 PolarHBondContact O-N 3.07Å; T60-G62 VanDerWaalsContact O-N 3.11Å; T60-E63 PolarHBondContact O-N 3.28Å |
| 61 | G | 42 | Very low | 42.4 | Very low | 72 Ų | 72 | 110.4 Ų | 110.4 | 74% | 0.742 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.4 | 17.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R57 E58 E63 | R57-G61 PolarHBondContact O-N 3.23Å; E58-G61 PolarHBondContact O-N 3.18Å; G61-E63 VanDerWaalsContact C-N 3.33Å |
| 62 | G | 46.9 | Very low | 41.6 | Very low | 40 Ų | 40 | 114.1 Ų | 114.1 | 41% | 0.412 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 74.1 | 13.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | R57 T60 D64 | R57-G62 PolarHBondContact O-N 2.73Å; T60-G62 PolarHBondContact O-N 3.07Å; T60-G62 VanDerWaalsContact O-N 3.11Å; G62-D64 PolarHBondContact O-N 2.58Å |
| 63 | E | 37.2 | Very low | 41.1 | Very low | 153 Ų | 153 | 116.2 Ų | 116.2 | 72% | 0.715 | 64% | 0.635 | S | S | * | * | trans | -70.9 | 117.4 | 170.3 | -71.1 | -166.2 | 159 | 0 | 0 | 110.9 | T60 G61 V65 | T60-E63 PolarHBondContact O-N 3.28Å; G61-E63 VanDerWaalsContact C-N 3.33Å; E63-V65 VanDerWaalsContact C-N 3.33Å; E63-V65 WeakPolarHBondContact O-CG2 3.4Å; E63-V65 PolarHBondContact O-N 3.07Å | ||
| 64 | D | 38.8 | Very low | 40.4 | Very low | 116 Ų | 116 | 118.5 Ų | 118.5 | 62% | 0.62 | 65% | 0.654 | S | S | * | * | trans | -73.7 | 81.5 | 176.6 | -72.3 | -45.4 | 0 | 0 | 0 | 111.3 | G62 F66 N67 | G62-D64 PolarHBondContact O-N 2.58Å; D64-F66 PolarHBondContact O-N 3.43Å; D64-N67 PolarHBondContact O-N 3.15Å; D64-N67 PolarHBondContact O-ND2 3.45Å | ||
| 65 | V | 39.5 | Very low | 39.5 | Very low | 111 Ų | 111 | 122.7 Ų | 122.7 | 67% | 0.673 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 4.4 | 174.5 | -163.5 | 0 | 0 | 0 | 0 | 112.8 | E63 | E63-V65 VanDerWaalsContact C-N 3.33Å; E63-V65 WeakPolarHBondContact O-CG2 3.4Å; E63-V65 PolarHBondContact O-N 3.07Å |
| 66 | F | 30.6 | Very low | 38.3 | Very low | 182 Ų | 182 | 118.5 Ų | 118.5 | 80% | 0.798 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | 42 | 175.7 | -67.6 | -71.5 | 0 | 0 | 0 | 113 | D64 F68 | D64-F66 PolarHBondContact O-N 3.43Å; F66-F68 PolarHBondContact O-N 2.9Å |
| 67 | N | 28.7 | Very low | 37.5 | Very low | 124 Ų | 124 | 119 Ų | 119 | 66% | 0.663 | 71% | 0.712 | S | S | * | * | trans | -67.9 | 87.7 | 170.6 | -95.1 | -46.1 | 0 | 0 | 0 | 112.5 | D64 | D64-N67 PolarHBondContact O-N 3.15Å; D64-N67 PolarHBondContact O-ND2 3.45Å | ||
| 68 | F | 27.9 | Very low | 36.4 | Very low | 202 Ų | 202 | 118.1 Ų | 118.1 | 89% | 0.886 | 73% | 0.725 | S | S | * | * | trans | -97.3 | 104.5 | 145.8 | -103.8 | -85.5 | 0 | 0 | 0 | 107.4 | F66 I70 | F66-F68 PolarHBondContact O-N 2.9Å; F68-I70 PolarHBondContact O-N 3.31Å; F68-I70 VanDerWaalsContact O-N 3.09Å | ||
| 69 | S | 28.8 | Very low | 34.8 | Very low | 107 Ų | 107 | 115.1 Ų | 115.1 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | trans | -60 | 114.3 | 178.3 | -55.3 | 0 | 0 | 0 | 0 | 110.6 | G71 | S69-G71 VanDerWaalsContact C-N 3.29Å; S69-G71 PolarHBondContact O-N 3.21Å | ||
| 70 | I | 29.3 | Very low | 33.8 | Very low | 164 Ų | 164 | 113.2 Ų | 113.2 | 84% | 0.841 | 73% | 0.725 | S | S | * | * | trans | -75 | 90.1 | 163.6 | -61.6 | 175.1 | 0 | 0 | 0 | 106.1 | F68 | F68-I70 PolarHBondContact O-N 3.31Å; F68-I70 VanDerWaalsContact O-N 3.09Å | ||
| 71 | G | 30.1 | Very low | 32.9 | Very low | 71 Ų | 71 | 116.1 Ų | 116.1 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | trans | -94.3 | 109.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | S69 | S69-G71 VanDerWaalsContact C-N 3.29Å; S69-G71 PolarHBondContact O-N 3.21Å | ||
| 72 | D | 28.8 | Very low | 32.6 | Very low | 146 Ų | 146 | 122.2 Ų | 122.2 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | trans | -66.3 | 150.6 | 172.8 | -83.7 | -47.3 | 0 | 0 | 0 | 112.4 | ||||
| 73 | S | 31.9 | Very low | 31.8 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 74 | 106.8 | 160.1 | -58.2 | 0 | 0 | 0 | 0 | 120 | ||
| 74 | A | 32.9 | Very low | 31.7 | Very low | 86 Ų | 86 | 130.1 Ų | 130.1 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | 66 | 120.9 | 134.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 75 | T | 33.6 | Very low | 31.4 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | trans | 72.2 | 125.8 | 161.1 | 67.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 76 | G | 30.1 | Very low | 31 | Very low | 77 Ų | 77 | 129.6 Ų | 129.6 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | 105.4 | 101.3 | 172 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 77 | A | 29.1 | Very low | 31.2 | Very low | 105 Ų | 105 | 126 Ų | 126 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 129.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 78 | P | 31.4 | Very low | 31.4 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 134 | 160 | 32.3 | -28.8 | 0 | 0 | 0 | 110.1 | ||
| 79 | A | 29.9 | Very low | 31.6 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 148.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P81 | A79-P81 WeakPolarHBondContact O-CD 3.38Š|
| 80 | S | 32.4 | Very low | 31.9 | Very low | 94 Ų | 94 | 123.9 Ų | 123.9 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 122.8 | 173 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | Y82 | S80-Y82 PolarHBondContact O-N 3.49Š|
| 81 | P | 31.7 | Very low | 32.1 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -82.5 | 55.8 | -177.8 | 35.4 | -36.7 | 0 | 0 | 0 | 112.1 | A79 | A79-P81 WeakPolarHBondContact O-CD 3.38Š|
| 82 | Y | 34.4 | Very low | 32.5 | Very low | 199 Ų | 199 | 129.3 Ų | 129.3 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | -142.7 | 47.8 | 174.8 | -66.3 | -67 | 0 | 0 | 0 | 112.4 | S80 | S80-Y82 PolarHBondContact O-N 3.49Š| ||
| 83 | F | 31 | Very low | 32.8 | Very low | 195 Ų | 195 | 127.9 Ų | 127.9 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -138.7 | 149.8 | 162.3 | -101.2 | -93.2 | 0 | 0 | 0 | 108.3 | ||||
| 84 | L | 34.3 | Very low | 33.3 | Very low | 165 Ų | 165 | 128 Ų | 128 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | 71.4 | 142.9 | -160.8 | -59.6 | 120.9 | 0 | 0 | 0 | 113.7 | ||||
| 85 | D | 32.2 | Very low | 33.5 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | cis | -138.1 | 156.5 | 3.4 | -159.8 | 3.4 | 0 | 0 | 0 | 112.1 | ||||
| 86 | G | 32.5 | Very low | 33.6 | Very low | 69 Ų | 69 | 125.9 Ų | 125.9 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -153.9 | 47.1 | -168 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 87 | C | 33.7 | Very low | 34.2 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | trans | 41.6 | 95.4 | 153.8 | -60.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 88 | L | 34.3 | Very low | 34.5 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | 43.8 | 131.7 | 123.6 | -62.8 | 174 | 0 | 0 | 0 | 122.2 | |||||
| 89 | N | 32.1 | Very low | 34.7 | Very low | 156 Ų | 156 | 131.5 Ų | 131.5 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | 78.2 | 112.2 | 148.7 | -64.1 | -9.9 | 0 | 0 | 0 | 119.8 | ||||
| 90 | G | 35.3 | Very low | 34.9 | Very low | 75 Ų | 75 | 131.5 Ų | 131.5 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -178.2 | 73.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H92 | G90-H92 PolarHBondContact O-N 3.34Š| ||
| 91 | N | 33.2 | Very low | 35 | Very low | 152 Ų | 152 | 139 Ų | 139 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -62.3 | 121.3 | 178.4 | -65.4 | -30 | 0 | 0 | 0 | 111.3 | ||||
| 92 | H | 38 | Very low | 34.9 | Very low | 198 Ų | 198 | 140.3 Ų | 140.3 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -162.3 | 124.8 | 146.4 | -87 | -60.5 | 0 | 0 | 0 | 111.1 | G90 | G90-H92 PolarHBondContact O-N 3.34Š| ||
| 93 | S | 34.2 | Very low | 34.9 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -120 | 179.5 | 169.5 | -60.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 94 | P | 43.1 | Very low | 35 | Very low | 116 Ų | 116 | 141 Ų | 141 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | cis | -131.8 | -175.8 | -13.6 | 26.2 | -3 | 0 | 0 | 0 | 113.7 | ||||
| 95 | S | 36.5 | Very low | 35.1 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 88% | 0.881 | 78% | 0.779 | S | S | * | * | trans | 135.4 | 143.6 | 130 | 69.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 96 | G | 37 | Very low | 35.2 | Very low | 65 Ų | 65 | 138 Ų | 138 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | trans | 119.5 | 84.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 97 | T | 41.1 | Very low | 35.4 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | trans | 17.7 | 147 | 130.6 | 54.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 98 | D | 35.7 | Very low | 35.5 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -178.2 | -174.6 | -3.9 | -179.7 | 19.6 | 0 | 0 | 0 | 106.2 | ||||
| 99 | L | 36.8 | Very low | 35.6 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | 93.7 | 68.8 | 165.8 | -50.8 | -178 | 0 | 0 | 0 | 118.7 | ||||
| 100 | S | 33.6 | Very low | 35.9 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | 41.6 | 111.5 | 114 | -48.2 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 101 | R | 35.3 | Very low | 36 | Very low | 252 Ų | 252 | 138 Ų | 138 | 95% | 0.951 | 78% | 0.777 | S | S | * | * | -155.9 | 135.5 | 107.5 | -138.4 | 164.4 | -75.8 | -171.6 | -5.1 | 113 | |||||
| 102 | E | 29.3 | Very low | 36.3 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 63% | 0.631 | 78% | 0.779 | S | S | * | * | trans | -110 | 139.7 | -164.7 | -168.7 | -172.2 | 178.8 | 0 | 0 | 110.2 | K104 | E102-K104 HydrophobicContact CG-CG 4.01Å; E102-K104 WeakPolarHBondContact OE1-CE 3.39Å; E102-K104 WeakPolarHBondContact OE1-CG 3.39Å; E102-K104 WeakPolarHBondContact OE2-CE 3.15Å; E102-K104 IonicContact OE2-NZ 3.64Å | ||
| 103 | W | 33 | Very low | 36.2 | Very low | 261 Ų | 261 | 134.9 Ų | 134.9 | 99% | 0.989 | 77% | 0.77 | S | S | * | * | trans | -118.1 | 114.3 | 158.8 | -91.2 | 52.8 | 0 | 0 | 0 | 108.3 | ||||
| 104 | K | 33.8 | Very low | 36.5 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | trans | -81.1 | 172.8 | 175.9 | -53 | 176 | 174.5 | 176.3 | 0 | 108.5 | E102 | E102-K104 HydrophobicContact CG-CG 4.01Å; E102-K104 WeakPolarHBondContact OE1-CE 3.39Å; E102-K104 WeakPolarHBondContact OE1-CG 3.39Å; E102-K104 WeakPolarHBondContact OE2-CE 3.15Å; E102-K104 IonicContact OE2-NZ 3.64Å | ||
| 105 | S | 35.7 | Very low | 36.3 | Very low | 90 Ų | 90 | 140.3 Ų | 140.3 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | cis | -169.6 | 171.3 | 16.2 | -147.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 106 | N | 34.9 | Very low | 36.3 | Very low | 157 Ų | 157 | 141.5 Ų | 141.5 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | trans | 72.9 | 129.8 | 161.6 | -45.6 | -31.3 | 0 | 0 | 0 | 117.7 | ||||
| 107 | G | 36.3 | Very low | 36.3 | Very low | 60 Ų | 60 | 143.8 Ų | 143.8 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | cis | -176.9 | 164 | -4.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 108 | D | 36.4 | Very low | 35.9 | Very low | 174 Ų | 174 | 145.1 Ų | 145.1 | 93% | 0.93 | 77% | 0.771 | S | S | * | * | trans | 52 | 132.9 | 151 | -41.4 | -35.9 | 0 | 0 | 0 | 120.6 | ||||
| 109 | G | 36.7 | Very low | 36.2 | Very low | 66 Ų | 66 | 144.1 Ų | 144.1 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | cis | 169.3 | 176.7 | -2.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 110 | L | 37.3 | Very low | 36.2 | Very low | 174 Ų | 174 | 145 Ų | 145 | 91% | 0.911 | 77% | 0.774 | S | S | * | * | trans | 73.9 | 113.9 | 169.6 | -54.8 | 165.9 | 0 | 0 | 0 | 116.4 | ||||
| 111 | S | 38.7 | Very low | 36.7 | Very low | 91 Ų | 91 | 146.9 Ų | 146.9 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | 87 | 133.2 | 81.3 | -161.1 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 112 | Q | 38.1 | Very low | 36.6 | Very low | 182 Ų | 182 | 139.6 Ų | 139.6 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | cis | -154.7 | 159.5 | 8 | -132.1 | 155.2 | 3 | 0 | 0 | 110.7 | ||||
| 113 | S | 36.5 | Very low | 36.7 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -57.9 | 149.7 | 172.1 | -47.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 114 | D | 40.8 | Very low | 36.7 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | 172.7 | 152.6 | 130.2 | -93.5 | -19.9 | 0 | 0 | 0 | 110 | ||||
| 115 | R | 39.2 | Very low | 36.8 | Very low | 200 Ų | 200 | 135.9 Ų | 135.9 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | cis | 174.5 | 123.4 | -27.4 | -120.5 | -169.1 | 177 | -140.9 | 0.9 | 105.2 | ||||
| 116 | L | 35.7 | Very low | 36.7 | Very low | 152 Ų | 152 | 139.6 Ų | 139.6 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | 65.1 | 160.3 | 153 | -48.5 | 170.4 | 0 | 0 | 0 | 115.9 | ||||
| 117 | S | 37 | Very low | 36.6 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | cis | -148.1 | 155.6 | 2.1 | 44.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 118 | L | 34.1 | Very low | 37 | Very low | 168 Ų | 168 | 144.6 Ų | 144.6 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | trans | -71.1 | 141.6 | 177.8 | -155.1 | 77.2 | 0 | 0 | 0 | 113 | ||||
| 119 | S | 41.7 | Very low | 36.9 | Very low | 114 Ų | 114 | 144.4 Ų | 144.4 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -146.7 | 129.5 | 151.4 | 66.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 120 | H | 36.5 | Very low | 37.8 | Very low | 165 Ų | 165 | 148.7 Ų | 148.7 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | -101.9 | 119.5 | -169.5 | 175.4 | -80 | 0 | 0 | 0 | 109.7 | ||||
| 121 | V | 44.4 | Very low | 38.3 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -123.9 | 113.9 | 170.6 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 122 | S | 31.9 | Very low | 38.4 | Very low | 99 Ų | 99 | 147 Ų | 147 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -99.3 | 124.2 | 170.9 | 173.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 123 | C | 32.6 | Very low | 38.7 | Very low | 121 Ų | 121 | 145 Ų | 145 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -144.8 | 137.4 | 159.9 | -158.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 124 | K | 31.9 | Very low | 39.1 | Very low | 185 Ų | 185 | 146.4 Ų | 146.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -86.6 | 160.1 | 173 | -63.4 | 174.6 | 178.9 | 178.8 | 0 | 108.8 | ||||
| 125 | Q | 36 | Very low | 39.2 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | 140 | 138.6 | 126.8 | -166.7 | 151.7 | -28.3 | 0 | 0 | 114.6 | |||||
| 126 | E | 33.7 | Very low | 39.3 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 71.8 | 132.1 | 161.4 | -82.4 | 150.7 | -151.9 | 0 | 0 | 122.3 | ||||
| 127 | R | 33.5 | Very low | 39.3 | Very low | 206 Ų | 206 | 138.1 Ų | 138.1 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | trans | -115.3 | 133.6 | 178.4 | 167 | -156.4 | -73.6 | -169.1 | -3.6 | 108.1 | ||||
| 128 | P | 43.8 | Very low | 39.3 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | -91.3 | 139 | 155 | -5 | 24.8 | 0 | 0 | 0 | 110.9 | ||||
| 129 | E | 33.9 | Very low | 39.4 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -84 | 143 | 178 | -59.7 | -164.9 | 135.4 | 0 | 0 | 112.6 | ||||
| 130 | I | 55.9 | Low | 39.5 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | -137 | 134.7 | 167.4 | -56.3 | 178.8 | 0 | 0 | 0 | 107.7 | ||||
| 131 | P | 48.3 | Very low | 39.8 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | -68.4 | 157 | -176.8 | -17.8 | 31.7 | 0 | 0 | 0 | 113.4 | T133 | P131-T133 PolarHBondContact O-N 3Š| ||
| 132 | P | 41 | Very low | 40.2 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | trans | -76.5 | 110.9 | -174.6 | 30.7 | -34.2 | 0 | 0 | 0 | 112.2 | V134 | P132-V134 PolarHBondContact O-N 2.83Š| ||
| 133 | T | 43.3 | Very low | 41.4 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 87% | 0.865 | 74% | 0.737 | S | S | * | * | trans | -73.1 | 122.7 | 165.8 | -60.3 | 0 | 0 | 0 | 0 | 109.7 | P131 A135 | P131-T133 PolarHBondContact O-N 3Å; T133-A135 PolarHBondContact O-N 2.76Å; T133-A135 VanDerWaalsContact O-N 3.16Å | ||
| 134 | V | 45.9 | Very low | 42.9 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | trans | -68.4 | 107 | -172.5 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | P132 | P132-V134 PolarHBondContact O-N 2.83Š| ||
| 135 | A | 43.8 | Very low | 44.7 | Very low | 77 Ų | 77 | 128.6 Ų | 128.6 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | trans | -81.2 | 131.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | T133 T137 | T133-A135 PolarHBondContact O-N 2.76Å; T133-A135 VanDerWaalsContact O-N 3.16Å; A135-T137 PolarHBondContact O-N 2.93Å | ||
| 136 | P | 40.7 | Very low | 46.7 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 81% | 0.805 | 68% | 0.676 | S | S | * | * | trans | -68.3 | 105.7 | 176.6 | 27.7 | -32.6 | 0 | 0 | 0 | 109.1 | S138 | P136-S138 PolarHBondContact O-N 2.87Š| ||
| 137 | T | 34.4 | Very low | 49.1 | Very low | 122 Ų | 122 | 115.1 Ų | 115.1 | 75% | 0.748 | 65% | 0.651 | S | S | * | * | trans | -60.8 | 124 | 172.1 | 46 | 0 | 0 | 0 | 0 | 108.7 | A135 S139 | A135-T137 PolarHBondContact O-N 2.93Å; T137-S139 VanDerWaalsContact C-N 3.3Å; T137-S139 PolarHBondContact O-N 3.24Å | ||
| 138 | S | 38 | Very low | 51.7 | Low | 114 Ų | 114 | 105.4 Ų | 105.4 | 80% | 0.797 | 61% | 0.614 | S | S | * | * | trans | -67.5 | 89.3 | 177.2 | 40 | 0 | 0 | 0 | 0 | 110 | P136 V140 | P136-S138 PolarHBondContact O-N 2.87Å; S138-V140 PolarHBondContact O-N 2.85Å | ||
| 139 | S | 35.2 | Very low | 53.9 | Low | 98 Ų | 98 | 101.4 Ų | 101.4 | 69% | 0.685 | 59% | 0.589 | S | S | * | * | trans | -74 | 57.9 | -173.6 | 48.7 | 0 | 0 | 0 | 0 | 113.1 | T137 L141 | T137-S139 VanDerWaalsContact C-N 3.3Å; T137-S139 PolarHBondContact O-N 3.24Å; S139-L141 PolarHBondContact O-N 3.5Å | ||
| 140 | V | 44.7 | Very low | 56.7 | Low | 126 Ų | 126 | 95.7 Ų | 95.7 | 76% | 0.764 | 56% | 0.56 | S | S | * | * | trans | -67.8 | 101.1 | 162.5 | -177.3 | 0 | 0 | 0 | 0 | 107.2 | S138 K142 | S138-V140 PolarHBondContact O-N 2.85Å; V140-K142 PolarHBondContact O-N 2.7Å | ||
| 141 | L | 43.1 | Very low | 58.5 | Low | 106 Ų | 106 | 88.9 Ų | 88.9 | 56% | 0.555 | 53% | 0.526 | S | S | * | . | trans | -49.2 | 99.4 | -172.3 | -58.1 | -179.3 | 0 | 0 | 0 | 111.7 | S139 Y143 | S139-L141 PolarHBondContact O-N 3.5Å; L141-Y143 VanDerWaalsContact C-N 3.32Å; L141-Y143 VanDerWaalsContact O-CD2 3.31Å; L141-Y143 WeakPolarHBondContact O-CD2 3.33Å; L141-Y143 PolarHBondContact O-N 2.83Å | ||
| 142 | K | 53.1 | Low | 60.7 | Low | 190 Ų | 190 | 83.9 Ų | 83.9 | 83% | 0.826 | 49% | 0.494 | S | S | * | . | trans | -87.8 | 74 | -169 | -162.9 | 177.3 | -173.9 | 179.8 | 0 | 109.8 | V140 | V140-K142 PolarHBondContact O-N 2.7Š| ||
| 143 | Y | 56.1 | Low | 63.2 | Low | 59 Ų | 59 | 78.2 Ų | 78.2 | 23% | 0.231 | 46% | 0.457 | C | S | . | . | trans | -43.7 | 121.8 | 170.8 | -63.2 | -77.5 | 0 | 0 | 0 | 110.1 | L141 K145 I183 F187 | L141-Y143 VanDerWaalsContact C-N 3.32Å; L141-Y143 VanDerWaalsContact O-CD2 3.31Å; L141-Y143 WeakPolarHBondContact O-CD2 3.33Å; L141-Y143 PolarHBondContact O-N 2.83Å; Y143-K145 PolarHBondContact O-N 3.5Å; Y143-I183 HydrophobicContact CD1-CG2 3.63Å; Y143-I183 HydrophobicContact CG-CG2 4.11Å; Y143-F187 HydrophobicContact CD1-CB 3.67Å; Y143-F187 HydrophobicContact CD1-CD1 4.33Å; Y143-F187 HydrophobicContact CD1-CD2 4.41Å; Y143-F187 AromaticContact CD1-CG 3.9Å; Y143-F187 HydrophobicContact CD1-CG 3.9Å; Y143-F187 HydrophobicContact CE1-CB 3.46Å; Y143-F187 VanDerWaalsContact CE1-CB 3.46Å; Y143-F187 HydrophobicContact CE1-CG 4.17Å | ||
| 144 | P | 63.8 | Low | 65.6 | Low | 68 Ų | 68 | 71.5 Ų | 71.5 | 44% | 0.442 | 42% | 0.415 | S | S | . | . | trans | -63.4 | 110.8 | -179.1 | 24 | -33.2 | 0 | 0 | 0 | 108.8 | I183 F187 | P144-I183 HydrophobicContact CG-CG1 4.42Å; P144-I183 WeakPolarHBondContact O-CD1 3.3Å; P144-F187 HydrophobicContact CG-CE2 3.97Å | ||
| 145 | K | 70 | Confident | 67.9 | Low | 139 Ų | 139 | 65.3 Ų | 65.3 | 60% | 0.604 | 38% | 0.378 | S | S | * | . | trans | -67.3 | 135.3 | -178.3 | -174.4 | -166.8 | 169.3 | -166.6 | 0 | 109.3 | Y143 | Y143-K145 PolarHBondContact O-N 3.5Š| ||
| 146 | P | 79.4 | Confident | 70.3 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 4% | 0.039 | 35% | 0.348 | C | S | . | . | trans | -52.5 | 139.2 | 170.9 | -23.7 | 31 | 0 | 0 | 0 | 111.9 | Y148 M153 F179 L180 I183 S262 | P146-Y148 PolarHBondContact O-N 3.4Å; P146-M153 HydrophobicContact CB-SD 4.48Å; P146-M153 HydrophobicContact CG-SD 4.48Å; P146-F179 HydrophobicContact CG-CB 4Å; P146-L180 HydrophobicContact CG-CD2 4.46Å; P146-I183 HydrophobicContact CG-CD1 3.98Å; P146-S262 WeakPolarHBondContact CA-OG 3.3Å | ||
| 147 | P | 82.9 | Confident | 72.9 | Confident | 40 Ų | 40 | 55.7 Ų | 55.7 | 26% | 0.26 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -68.1 | -13 | 179.3 | 28.3 | -36.1 | 0 | 0 | 0 | 113.1 | V251 D255 A258 I259 | P147-V251 HydrophobicContact CB-CG1 4.1Å; P147-V251 HydrophobicContact CG-CG1 4.47Å; P147-D255 HydrophobicContact CB-CB 4.11Å; P147-D255 HydrophobicContact CG-CB 4.41Å; P147-A258 HydrophobicContact CG-CB 4.09Å; P147-I259 HydrophobicContact CG-CB 4.34Å; P147-I259 HydrophobicContact CG-CG1 3.51Å |
| 148 | Y | 87.4 | Confident | 75.7 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -68 | 139.4 | 170.5 | -70.7 | -58.8 | 0 | 0 | 0 | 112.8 | P146 C152 L156 F179 I248 V251 I259 L269 E273 | P146-Y148 PolarHBondContact O-N 3.4Å; Y148-C152 HydrophobicContact CD1-CB 3.79Å; Y148-C152 HydrophobicContact CG-CB 4.19Å; Y148-L156 HydrophobicContact CD2-CD1 4.39Å; Y148-L156 HydrophobicContact CE1-CD1 4.34Å; Y148-L156 HydrophobicContact CE2-CD1 4.08Å; Y148-F179 HydrophobicContact CD2-CD1 4.28Å; Y148-F179 AromaticContact CD2-CE1 3.52Å; Y148-F179 HydrophobicContact CD2-CE1 3.52Å; Y148-F179 AromaticContact CD2-CZ 3.91Å; Y148-F179 HydrophobicContact CD2-CZ 3.91Å; Y148-F179 AromaticContact CE2-CE1 3.66Å; Y148-F179 HydrophobicContact CE2-CE1 3.66Å; Y148-F179 HydrophobicContact CE2-CZ 4.07Å; Y148-I248 HydrophobicContact CE1-CG2 4.06Å; Y148-V251 HydrophobicContact CD1-CB 4.18Å; Y148-V251 HydrophobicContact CD1-CG1 3.93Å; Y148-V251 HydrophobicContact CE1-CB 4.29Å; Y148-V251 HydrophobicContact CE1-CG1 4.23Å; Y148-I259 HydrophobicContact CD2-CG2 4.39Å; Y148-I259 HydrophobicContact CE1-CD1 4.15Å; Y148-I259 HydrophobicContact CE2-CB 4.39Å; Y148-I259 HydrophobicContact CE2-CD1 4.32Å; Y148-I259 HydrophobicContact CE2-CG1 4.06Å; Y148-I259 HydrophobicContact CE2-CG2 3.47Å; Y148-I259 VanDerWaalsContact CE2-CG2 3.47Å; Y148-L269 WeakPolarHBondContact OH-CD1 3.33Å; Y148-E273 PolarHBondContact OH-OE1 3.19Å |
| 149 | S | 91.7 | Very high | 78.3 | Confident | 32 Ų | 32 | 47.8 Ų | 47.8 | 22% | 0.224 | 25% | 0.25 | C | S | . | . | trans | -65.8 | 160.2 | 167 | 76.4 | 0 | 0 | 0 | 0 | 111 | S151 C152 M153 E247 | S149-S151 PolarHBondContact O-N 2.95Å; S149-S151 PolarHBondContact OG-N 2.83Å; S149-C152 PolarHBondContact O-N 2.85Å; S149-C152 VanDerWaalsContact O-N 3.16Å; S149-C152 PolarHBondContact OG-N 3.18Å; S149-C152 PolarHBondContact OG-SG 3.5Å; S149-C152 VanDerWaalsContact OG-SG 3.38Å; S149-M153 PolarHBondContact O-N 3.45Å; S149-E247 VanDerWaalsContact CB-OE1 3.3Å; S149-E247 WeakPolarHBondContact CB-OE1 3.44Å; S149-E247 PolarHBondContact OG-OE1 2.85Å | ||
| 150 | Y | 92.6 | Very high | 81.1 | Confident | 50 Ų | 50 | 43.2 Ų | 43.2 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.2 | -33.9 | 172 | -71.9 | -67.4 | 0 | 0 | 0 | 111.5 | M153 I154 W202 V206 | Y150-M153 HydrophobicContact CD1-CE 3.55Å; Y150-M153 HydrophobicContact CE1-CE 3.92Å; Y150-M153 HydrophobicContact CG-CE 4.22Å; Y150-M153 PolarHBondContact O-N 3.04Å; Y150-I154 WeakPolarHBondContact O-CB 3.4Å; Y150-I154 VanDerWaalsContact O-CD1 3.3Å; Y150-I154 WeakPolarHBondContact O-CD1 3.39Å; Y150-I154 WeakPolarHBondContact O-CG1 3.36Å; Y150-I154 PolarHBondContact O-N 3.03Å; Y150-W202 HydrophobicContact CE1-CB 4.33Å; Y150-W202 WeakPolarHBondContact OH-CB 3.5Å; Y150-V206 HydrophobicContact CD1-CG2 3.7Å; Y150-V206 HydrophobicContact CE1-CG2 4.09Å |
| 151 | S | 93.6 | Very high | 83.4 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.8 | -48.2 | 173 | -55.4 | 0 | 0 | 0 | 0 | 112.1 | S149 I154 A155 N209 N213 F216 | S149-S151 PolarHBondContact O-N 2.95Å; S149-S151 PolarHBondContact OG-N 2.83Å; S151-I154 PolarHBondContact O-N 3.3Å; S151-A155 WeakPolarHBondContact O-CB 3.24Å; S151-A155 PolarHBondContact O-N 3.12Å; S151-N209 PolarHBondContact OG-OD1 3.09Å; S151-N213 PolarHBondContact OG-ND2 3.1Å; S151-F216 WeakPolarHBondContact O-CZ 3.46Å |
| 152 | C | 93.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61 | -47.6 | 175.9 | -69.1 | 0 | 0 | 0 | 0 | 111.7 | Y148 S149 I154 A155 L156 E247 I248 | Y148-C152 HydrophobicContact CD1-CB 3.79Å; Y148-C152 HydrophobicContact CG-CB 4.19Å; S149-C152 PolarHBondContact O-N 2.85Å; S149-C152 VanDerWaalsContact O-N 3.16Å; S149-C152 PolarHBondContact OG-N 3.18Å; S149-C152 PolarHBondContact OG-SG 3.5Å; S149-C152 VanDerWaalsContact OG-SG 3.38Å; C152-I154 PolarHBondContact O-N 3.22Å; C152-A155 PolarHBondContact O-N 3.33Å; C152-L156 WeakPolarHBondContact O-CB 3.34Å; C152-L156 WeakPolarHBondContact O-CG 3.33Å; C152-L156 PolarHBondContact O-N 3.23Å; C152-E247 PolarHBondContact SG-OE1 3.42Å; C152-I248 HydrophobicContact CB-CG1 3.91Å |
| 153 | M | 93.3 | Very high | 87.3 | Confident | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 179.5 | -70.3 | -171.7 | -78.9 | 0 | 0 | 113 | P146 S149 Y150 A157 I175 F179 | P146-M153 HydrophobicContact CB-SD 4.48Å; P146-M153 HydrophobicContact CG-SD 4.48Å; S149-M153 PolarHBondContact O-N 3.45Å; Y150-M153 HydrophobicContact CD1-CE 3.55Å; Y150-M153 HydrophobicContact CE1-CE 3.92Å; Y150-M153 HydrophobicContact CG-CE 4.22Å; Y150-M153 PolarHBondContact O-N 3.04Å; M153-A157 PolarHBondContact O-N 3.22Å; M153-A157 VanDerWaalsContact O-N 3.1Å; M153-I175 HydrophobicContact CB-CD1 4.25Å; M153-I175 HydrophobicContact CB-CG1 4.16Å; M153-I175 HydrophobicContact SD-CG2 4.27Å; M153-F179 HydrophobicContact CB-CD2 4.28Å; M153-F179 HydrophobicContact CB-CE2 4.1Å; M153-F179 HydrophobicContact CG-CD2 3.76Å; M153-F179 HydrophobicContact CG-CE2 3.74Å; M153-F179 HydrophobicContact CG-CG 4.33Å; M153-F179 HydrophobicContact CG-CZ 4.32Å; M153-F179 HydrophobicContact SD-CB 4.2Å; M153-F179 HydrophobicContact SD-CD2 3.83Å; M153-F179 HydrophobicContact SD-CE2 4.43Å; M153-F179 HydrophobicContact SD-CG 4.04Å |
| 154 | I | 94.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.8 | -43.5 | 174.9 | -67.4 | 161.3 | 0 | 0 | 0 | 110.7 | Y150 S151 C152 A157 L158 I171 V206 N209 L210 F216 | Y150-I154 WeakPolarHBondContact O-CB 3.4Å; Y150-I154 VanDerWaalsContact O-CD1 3.3Å; Y150-I154 WeakPolarHBondContact O-CD1 3.39Å; Y150-I154 WeakPolarHBondContact O-CG1 3.36Å; Y150-I154 PolarHBondContact O-N 3.03Å; S151-I154 PolarHBondContact O-N 3.3Å; C152-I154 PolarHBondContact O-N 3.22Å; I154-A157 WeakPolarHBondContact O-CB 3.48Å; I154-A157 PolarHBondContact O-N 2.87Å; I154-L158 HydrophobicContact CG2-CD1 3.98Å; I154-L158 WeakPolarHBondContact O-CG 3.41Å; I154-L158 PolarHBondContact O-N 3.36Å; I154-I171 HydrophobicContact CG1-CG2 4.05Å; I154-I171 HydrophobicContact CG2-CD1 4.42Å; I154-V206 HydrophobicContact CD1-CG1 4.2Å; I154-V206 HydrophobicContact CG1-CG1 4.28Å; I154-N209 HydrophobicContact CD1-CB 3.84Å; I154-L210 HydrophobicContact CD1-CD2 4.12Å; I154-L210 HydrophobicContact CD1-CG 4.08Å; I154-L210 HydrophobicContact CG2-CD2 3.65Å; I154-F216 HydrophobicContact CB-CE1 4.08Å; I154-F216 HydrophobicContact CB-CE2 4.29Å; I154-F216 HydrophobicContact CB-CZ 3.76Å; I154-F216 HydrophobicContact CD1-CE2 4.18Å; I154-F216 HydrophobicContact CD1-CZ 4.49Å; I154-F216 HydrophobicContact CG2-CD1 3.82Å; I154-F216 HydrophobicContact CG2-CD2 4.36Å; I154-F216 HydrophobicContact CG2-CE1 3.45Å; I154-F216 VanDerWaalsContact CG2-CE1 3.45Å; I154-F216 HydrophobicContact CG2-CE2 4.03Å; I154-F216 HydrophobicContact CG2-CG 4.27Å; I154-F216 HydrophobicContact CG2-CZ 3.57Å |
| 155 | A | 94.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.7 | -39.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S151 C152 A157 L158 K159 F216 L236 I244 | S151-A155 WeakPolarHBondContact O-CB 3.24Å; S151-A155 PolarHBondContact O-N 3.12Å; C152-A155 PolarHBondContact O-N 3.33Å; A155-A157 VanDerWaalsContact C-N 3.34Å; A155-A157 PolarHBondContact O-N 3.23Å; A155-L158 PolarHBondContact O-N 2.9Å; A155-K159 WeakPolarHBondContact O-CB 3.12Å; A155-K159 WeakPolarHBondContact O-CG 3.41Å; A155-K159 PolarHBondContact O-N 3.07Å; A155-F216 HydrophobicContact CB-CE1 4.3Å; A155-L236 HydrophobicContact CB-CD1 4.17Å; A155-I244 HydrophobicContact CB-CB 4.46Å; A155-I244 HydrophobicContact CB-CD1 4.33Å; A155-I244 HydrophobicContact CB-CG2 3.46Å; A155-I244 VanDerWaalsContact CB-CG2 3.46Å |
| 156 | L | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62 | -40.4 | 172.7 | -70.6 | 171.8 | 0 | 0 | 0 | 111.5 | Y148 C152 L158 K159 N160 F174 F179 I248 I272 E273 | Y148-L156 HydrophobicContact CD2-CD1 4.39Å; Y148-L156 HydrophobicContact CE1-CD1 4.34Å; Y148-L156 HydrophobicContact CE2-CD1 4.08Å; C152-L156 WeakPolarHBondContact O-CB 3.34Å; C152-L156 WeakPolarHBondContact O-CG 3.33Å; C152-L156 PolarHBondContact O-N 3.23Å; L156-L158 PolarHBondContact O-N 3.3Å; L156-K159 PolarHBondContact O-N 3.38Å; L156-N160 PolarHBondContact O-N 3.25Å; L156-N160 VanDerWaalsContact O-N 3.1Å; L156-N160 PolarHBondContact O-ND2 3.44Å; L156-F174 HydrophobicContact CB-CE1 4.15Å; L156-F174 HydrophobicContact CB-CZ 4.36Å; L156-F179 HydrophobicContact CD1-CE2 4.46Å; L156-F179 HydrophobicContact CD1-CZ 3.75Å; L156-I248 HydrophobicContact CD2-CD1 3.9Å; L156-I248 HydrophobicContact CD2-CG2 4.47Å; L156-I248 HydrophobicContact CG-CD1 3.98Å; L156-I272 HydrophobicContact CB-CG2 4.31Å; L156-I272 HydrophobicContact CD1-CG2 4.39Å; L156-I272 HydrophobicContact CD2-CG2 4.28Å; L156-E273 HydrophobicContact CD2-CG 4.23Å |
| 157 | A | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.9 | -48.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | M153 I154 A155 K159 N160 S161 L166 F174 | M153-A157 PolarHBondContact O-N 3.22Å; M153-A157 VanDerWaalsContact O-N 3.1Å; I154-A157 WeakPolarHBondContact O-CB 3.48Å; I154-A157 PolarHBondContact O-N 2.87Å; A155-A157 VanDerWaalsContact C-N 3.34Å; A155-A157 PolarHBondContact O-N 3.23Å; A157-K159 PolarHBondContact O-N 3.19Å; A157-N160 PolarHBondContact O-N 3.16Å; A157-S161 PolarHBondContact O-N 3.5Å; A157-L166 HydrophobicContact CB-CD1 3.97Å; A157-L166 WeakPolarHBondContact O-CD1 3.36Å; A157-F174 HydrophobicContact CB-CB 3.84Å; A157-F174 HydrophobicContact CB-CD1 3.4Å; A157-F174 VanDerWaalsContact CB-CD1 3.4Å; A157-F174 HydrophobicContact CB-CD2 4.12Å; A157-F174 HydrophobicContact CB-CE1 3.92Å; A157-F174 HydrophobicContact CB-CG 3.51Å; A157-F174 HydrophobicContact CB-CZ 4.49Å |
| 158 | L | 94.2 | Very high | 92.5 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.4 | -37.8 | 179.8 | -68 | 169.8 | 0 | 0 | 0 | 112.8 | I154 A155 L156 N160 S161 L166 F216 W234 L236 | I154-L158 HydrophobicContact CG2-CD1 3.98Å; I154-L158 WeakPolarHBondContact O-CG 3.41Å; I154-L158 PolarHBondContact O-N 3.36Å; A155-L158 PolarHBondContact O-N 2.9Å; L156-L158 PolarHBondContact O-N 3.3Å; L158-N160 VanDerWaalsContact C-N 3.33Å; L158-N160 PolarHBondContact O-N 3.42Å; L158-S161 WeakPolarHBondContact O-CB 3.28Å; L158-S161 PolarHBondContact O-N 3.05Å; L158-L166 HydrophobicContact CD2-CB 3.96Å; L158-L166 HydrophobicContact CD2-CD1 4.23Å; L158-L166 HydrophobicContact CD2-CG 4.09Å; L158-F216 HydrophobicContact CD1-CD1 3.72Å; L158-F216 HydrophobicContact CD1-CE1 4.02Å; L158-W234 WeakPolarHBondContact CD2-O 3.45Å; L158-L236 HydrophobicContact CD1-CB 4.44Å; L158-L236 HydrophobicContact CD1-CD1 4.45Å |
| 159 | K | 93.3 | Very high | 92.7 | Very high | 65 Ų | 65 | 35.9 Ų | 35.9 | 28% | 0.283 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.6 | -31.3 | 174.9 | -76.4 | -175 | 63 | 165.1 | 0 | 113.2 | A155 L156 A157 S161 E245 E273 | A155-K159 WeakPolarHBondContact O-CB 3.12Å; A155-K159 WeakPolarHBondContact O-CG 3.41Å; A155-K159 PolarHBondContact O-N 3.07Å; L156-K159 PolarHBondContact O-N 3.38Å; A157-K159 PolarHBondContact O-N 3.19Å; K159-S161 VanDerWaalsContact C-N 3.33Å; K159-E245 IonicContact NZ-OE1 2.81Å; K159-E245 PolarHBondContact NZ-OE1 3.01Å; K159-E273 WeakPolarHBondContact CE-O 3.4Å; K159-E273 PolarHBondContact NZ-O 3.06Å; K159-E273 VanDerWaalsContact NZ-O 3.07Å |
| 160 | N | 92.7 | Very high | 92.7 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.011 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 1.5 | 175.9 | -75 | -87.2 | 0 | 0 | 0 | 113.4 | L156 A157 L158 F174 I272 G275 K277 G278 M279 | L156-N160 PolarHBondContact O-N 3.25Å; L156-N160 VanDerWaalsContact O-N 3.1Å; L156-N160 PolarHBondContact O-ND2 3.44Å; A157-N160 PolarHBondContact O-N 3.16Å; L158-N160 VanDerWaalsContact C-N 3.33Å; L158-N160 PolarHBondContact O-N 3.42Å; N160-F174 HydrophobicContact CB-CE2 3.7Å; N160-F174 HydrophobicContact CB-CZ 4.29Å; N160-I272 PolarHBondContact ND2-O 3.39Å; N160-G275 VanDerWaalsContact OD1-C 3.23Å; N160-G275 WeakPolarHBondContact OD1-CA 3.44Å; N160-G275 PolarHBondContact OD1-O 2.95Å; N160-K277 WeakPolarHBondContact OD1-CB 3.17Å; N160-K277 PolarHBondContact OD1-N 3.41Å; N160-G278 CarbonylContact O-C 3.51Å; N160-G278 WeakPolarHBondContact O-CA 3.35Å; N160-G278 PolarHBondContact OD1-N 2.95Å; N160-M279 PolarHBondContact O-N 3.13Å |
| 161 | S | 92.8 | Very high | 92.7 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | trans | -83 | 125.5 | 171.4 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | A157 L158 K159 A163 G164 R165 L166 | A157-S161 PolarHBondContact O-N 3.5Å; L158-S161 WeakPolarHBondContact O-CB 3.28Å; L158-S161 PolarHBondContact O-N 3.05Å; K159-S161 VanDerWaalsContact C-N 3.33Å; S161-A163 PolarHBondContact O-N 3.43Å; S161-A163 VanDerWaalsContact O-N 3.07Å; S161-A163 PolarHBondContact OG-N 3Å; S161-G164 PolarHBondContact O-N 3.21Å; S161-R165 PolarHBondContact OG-O 2.67Å; S161-L166 WeakPolarHBondContact OG-CD2 3.49Å | ||
| 162 | T | 89.2 | Confident | 92.6 | Very high | 154 Ų | 154 | 35.3 Ų | 35.3 | 95% | 0.945 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -23.5 | 174.3 | 53.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 163 | A | 89.1 | Confident | 92.5 | Very high | 54 Ų | 54 | 37.9 Ų | 37.9 | 45% | 0.446 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 0.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | S161 R165 | S161-A163 PolarHBondContact O-N 3.43Å; S161-A163 VanDerWaalsContact O-N 3.07Å; S161-A163 PolarHBondContact OG-N 3Å; A163-R165 HydrophobicContact CB-CG 4.01Å; A163-R165 WeakPolarHBondContact O-CG 3.09Å; A163-R165 PolarHBondContact O-N 3.16Å; A163-R165 VanDerWaalsContact O-N 3.12Å; A163-R165 PolarHBondContact O-NE 2.88Å |
| 164 | G | 90.8 | Very high | 92.3 | Very high | 36 Ų | 36 | 37.6 Ų | 37.6 | 37% | 0.371 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 64 | 9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S161 | S161-G164 PolarHBondContact O-N 3.21Š|
| 165 | R | 92.7 | Very high | 92.1 | Very high | 118 Ų | 118 | 37.7 Ų | 37.7 | 45% | 0.445 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 147.4 | -174.2 | 63.4 | -162.7 | 138.6 | 160.7 | -2 | 111.3 | S161 A163 L233 W234 | S161-R165 PolarHBondContact OG-O 2.67Å; A163-R165 HydrophobicContact CB-CG 4.01Å; A163-R165 WeakPolarHBondContact O-CG 3.09Å; A163-R165 PolarHBondContact O-N 3.16Å; A163-R165 VanDerWaalsContact O-N 3.12Å; A163-R165 PolarHBondContact O-NE 2.88Å; R165-L233 HydrophobicContact CB-CB 4.33Å; R165-L233 HydrophobicContact CG-CD1 4.14Å; R165-W234 CarbonylContact C-O 3.57Å; R165-W234 WeakPolarHBondContact CA-O 3.44Å; R165-W234 WeakPolarHBondContact CB-O 3.34Å |
| 166 | L | 93.7 | Very high | 91.7 | Very high | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 154.5 | -175 | -69 | 177 | 0 | 0 | 0 | 112.7 | A157 L158 S161 E170 I171 W234 M279 | A157-L166 HydrophobicContact CB-CD1 3.97Å; A157-L166 WeakPolarHBondContact O-CD1 3.36Å; L158-L166 HydrophobicContact CD2-CB 3.96Å; L158-L166 HydrophobicContact CD2-CD1 4.23Å; L158-L166 HydrophobicContact CD2-CG 4.09Å; S161-L166 WeakPolarHBondContact OG-CD2 3.49Å; L166-E170 WeakPolarHBondContact CA-OE2 3.3Å; L166-E170 HydrophobicContact CB-CB 4.27Å; L166-E170 HydrophobicContact CD2-CB 3.99Å; L166-I171 HydrophobicContact CB-CD1 4.42Å; L166-I171 HydrophobicContact CB-CG1 3.96Å; L166-I171 HydrophobicContact CD1-CG1 4.1Å; L166-W234 PolarHBondContact N-O 3.16Å; L166-W234 PolarHBondContact O-N 3.04Å; L166-M279 HydrophobicContact CD1-CE 3.66Å; L166-M279 HydrophobicContact CD1-SD 3.66Å; L166-M279 HydrophobicContact CD2-CE 3.69Å; L166-M279 HydrophobicContact CD2-CG 4.16Å; L166-M279 HydrophobicContact CD2-SD 3.97Å; L166-M279 HydrophobicContact CG-CE 4.34Å; L166-M279 HydrophobicContact CG-SD 4.45Å |
| 167 | R | 93.1 | Very high | 91.2 | Very high | 116 Ų | 116 | 42.2 Ų | 42.2 | 44% | 0.438 | 23% | 0.234 | S | C | . | . | trans | -77.6 | 155.5 | 165.6 | -59.4 | 179.2 | -177 | 92 | -1.4 | 110.2 | S169 E170 I171 L233 | R167-S169 PolarHBondContact O-N 3.28Å; R167-S169 VanDerWaalsContact O-N 3.16Å; R167-E170 HydrophobicContact CB-CG 4.31Å; R167-E170 WeakPolarHBondContact CD-OE1 3.42Å; R167-E170 IonicContact CZ-OE1 3.75Å; R167-E170 PolarHBondContact N-OE2 3.45Å; R167-E170 IonicContact NE-OE1 2.7Å; R167-E170 IonicContact NH1-OE1 3.8Å; R167-E170 PolarHBondContact NH1-OE1 2.84Å; R167-E170 WeakPolarHBondContact O-CB 3.49Å; R167-E170 PolarHBondContact O-N 3.1Å; R167-I171 PolarHBondContact O-N 2.66Å; R167-I171 VanDerWaalsContact O-N 3.13Å; R167-L233 HydrophobicContact CG-CD2 3.58Å | ||
| 168 | V | 92.4 | Very high | 90.7 | Very high | 35 Ų | 35 | 42.8 Ų | 42.8 | 21% | 0.212 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.1 | -33.2 | 176.8 | -174.2 | 0 | 0 | 0 | 0 | 112.4 | I171 Y172 R207 L210 | V168-I171 PolarHBondContact O-N 2.71Å; V168-Y172 HydrophobicContact CG1-CE1 3.88Å; V168-Y172 HydrophobicContact CG1-CE2 3.92Å; V168-Y172 WeakPolarHBondContact O-CD2 3.47Å; V168-Y172 PolarHBondContact O-N 3.15Å; V168-Y172 VanDerWaalsContact O-N 3.13Å; V168-R207 HydrophobicContact CG1-CG 4.25Å; V168-L210 HydrophobicContact CG1-CD1 4.31Å; V168-L210 HydrophobicContact CG2-CD1 4.09Å |
| 169 | S | 90.2 | Very high | 90.1 | Very high | 49 Ų | 49 | 42.7 Ų | 42.7 | 34% | 0.343 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63 | -43.3 | 173.7 | 52.9 | 0 | 0 | 0 | 0 | 112.8 | R167 I171 Y172 D173 | R167-S169 PolarHBondContact O-N 3.28Å; R167-S169 VanDerWaalsContact O-N 3.16Å; S169-I171 VanDerWaalsContact C-N 3.31Å; S169-I171 PolarHBondContact O-N 2.76Å; S169-Y172 WeakPolarHBondContact O-CB 3.33Å; S169-Y172 PolarHBondContact O-N 2.95Å; S169-Y172 VanDerWaalsContact O-N 3.15Å; S169-D173 VanDerWaalsContact O-CG 3.23Å; S169-D173 PolarHBondContact O-N 3.29Å |
| 170 | E | 92 | Very high | 89.3 | Confident | 46 Ų | 46 | 40.9 Ų | 40.9 | 22% | 0.215 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.4 | -32.7 | -178.1 | -66.9 | 152 | -168.3 | 0 | 0 | 110.9 | L166 R167 D173 F174 M279 | L166-E170 WeakPolarHBondContact CA-OE2 3.3Å; L166-E170 HydrophobicContact CB-CB 4.27Å; L166-E170 HydrophobicContact CD2-CB 3.99Å; R167-E170 HydrophobicContact CB-CG 4.31Å; R167-E170 WeakPolarHBondContact CD-OE1 3.42Å; R167-E170 IonicContact CZ-OE1 3.75Å; R167-E170 PolarHBondContact N-OE2 3.45Å; R167-E170 IonicContact NE-OE1 2.7Å; R167-E170 IonicContact NH1-OE1 3.8Å; R167-E170 PolarHBondContact NH1-OE1 2.84Å; R167-E170 WeakPolarHBondContact O-CB 3.49Å; R167-E170 PolarHBondContact O-N 3.1Å; E170-D173 PolarHBondContact O-N 3.1Å; E170-F174 WeakPolarHBondContact O-CB 3.38Å; E170-F174 PolarHBondContact O-N 3.35Å; E170-M279 HydrophobicContact CB-CE 3.87Å; E170-M279 WeakPolarHBondContact O-CE 3.18Å |
| 171 | I | 93 | Very high | 88.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.1 | -41.7 | 170.9 | -62.9 | 169.4 | 0 | 0 | 0 | 110.9 | I154 L166 R167 V168 S169 D173 F174 I175 V206 L210 W234 | I154-I171 HydrophobicContact CG1-CG2 4.05Å; I154-I171 HydrophobicContact CG2-CD1 4.42Å; L166-I171 HydrophobicContact CB-CD1 4.42Å; L166-I171 HydrophobicContact CB-CG1 3.96Å; L166-I171 HydrophobicContact CD1-CG1 4.1Å; R167-I171 PolarHBondContact O-N 2.66Å; R167-I171 VanDerWaalsContact O-N 3.13Å; V168-I171 PolarHBondContact O-N 2.71Å; S169-I171 VanDerWaalsContact C-N 3.31Å; S169-I171 PolarHBondContact O-N 2.76Å; I171-D173 VanDerWaalsContact C-N 3.35Å; I171-F174 PolarHBondContact O-N 3.43Å; I171-I175 HydrophobicContact CG2-CD1 3.92Å; I171-I175 VanDerWaalsContact O-CG1 3.29Å; I171-I175 WeakPolarHBondContact O-CG1 3.14Å; I171-I175 PolarHBondContact O-N 2.8Å; I171-V206 HydrophobicContact CG2-CG1 3.99Å; I171-L210 HydrophobicContact CD1-CD1 4.19Å; I171-L210 HydrophobicContact CD1-CD2 4.1Å; I171-W234 HydrophobicContact CD1-CB 4.31Å |
| 172 | Y | 91.8 | Very high | 87.6 | Confident | 36 Ų | 36 | 44.8 Ų | 44.8 | 14% | 0.141 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.1 | -44.3 | 173.8 | -59.8 | -33.3 | 0 | 0 | 0 | 111.5 | V168 S169 I175 V176 W202 K203 V206 R207 | V168-Y172 HydrophobicContact CG1-CE1 3.88Å; V168-Y172 HydrophobicContact CG1-CE2 3.92Å; V168-Y172 WeakPolarHBondContact O-CD2 3.47Å; V168-Y172 PolarHBondContact O-N 3.15Å; V168-Y172 VanDerWaalsContact O-N 3.13Å; S169-Y172 WeakPolarHBondContact O-CB 3.33Å; S169-Y172 PolarHBondContact O-N 2.95Å; S169-Y172 VanDerWaalsContact O-N 3.15Å; Y172-I175 PolarHBondContact O-N 2.91Å; Y172-V176 WeakPolarHBondContact O-CB 3.48Å; Y172-V176 VanDerWaalsContact O-CG2 3.3Å; Y172-V176 WeakPolarHBondContact O-CG2 3.49Å; Y172-V176 PolarHBondContact O-N 3.12Å; Y172-W202 AromaticContact CD1-CH2 3.91Å; Y172-W202 HydrophobicContact CD1-CH2 3.91Å; Y172-W202 AromaticContact CD1-CZ3 3.72Å; Y172-W202 HydrophobicContact CD1-CZ3 3.72Å; Y172-W202 HydrophobicContact CE1-CZ3 4.49Å; Y172-W202 HydrophobicContact CG-CH2 4.16Å; Y172-W202 HydrophobicContact CG-CZ3 4.43Å; Y172-K203 HydrophobicContact CD1-CG 4.12Å; Y172-K203 HydrophobicContact CD2-CD 4.44Å; Y172-K203 HydrophobicContact CE1-CB 3.86Å; Y172-K203 HydrophobicContact CE1-CG 3.96Å; Y172-K203 HydrophobicContact CE2-CD 4.34Å; Y172-V206 HydrophobicContact CD1-CG1 4.25Å; Y172-V206 HydrophobicContact CE1-CB 4.21Å; Y172-V206 HydrophobicContact CE1-CG1 3.98Å; Y172-R207 WeakPolarHBondContact OH-CD 3.48Å; Y172-R207 WeakPolarHBondContact OH-CG 3.35Å; Y172-R207 PolarHBondContact OH-NH1 3Å; Y172-R207 VanDerWaalsContact OH-NH1 3.12Å |
| 173 | D | 90.2 | Very high | 86.6 | Confident | 53 Ų | 53 | 37.9 Ų | 37.9 | 28% | 0.283 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.6 | -42.4 | 179.9 | -70.4 | -21 | 0 | 0 | 0 | 111.5 | S169 E170 I171 C177 V282 | S169-D173 VanDerWaalsContact O-CG 3.23Å; S169-D173 PolarHBondContact O-N 3.29Å; E170-D173 PolarHBondContact O-N 3.1Å; I171-D173 VanDerWaalsContact C-N 3.35Å; D173-C177 WeakPolarHBondContact O-CB 3.45Å; D173-C177 PolarHBondContact O-N 3.22Å; D173-V282 HydrophobicContact CB-CG2 3.72Å |
| 174 | F | 91 | Very high | 85.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.4 | -51 | 173.2 | -173.8 | -86.7 | 0 | 0 | 0 | 112.5 | L156 A157 N160 E170 I171 V176 C177 F178 F179 I272 M279 | L156-F174 HydrophobicContact CB-CE1 4.15Å; L156-F174 HydrophobicContact CB-CZ 4.36Å; A157-F174 HydrophobicContact CB-CB 3.84Å; A157-F174 HydrophobicContact CB-CD1 3.4Å; A157-F174 VanDerWaalsContact CB-CD1 3.4Å; A157-F174 HydrophobicContact CB-CD2 4.12Å; A157-F174 HydrophobicContact CB-CE1 3.92Å; A157-F174 HydrophobicContact CB-CG 3.51Å; A157-F174 HydrophobicContact CB-CZ 4.49Å; N160-F174 HydrophobicContact CB-CE2 3.7Å; N160-F174 HydrophobicContact CB-CZ 4.29Å; E170-F174 WeakPolarHBondContact O-CB 3.38Å; E170-F174 PolarHBondContact O-N 3.35Å; I171-F174 PolarHBondContact O-N 3.43Å; F174-V176 VanDerWaalsContact C-N 3.33Å; F174-V176 PolarHBondContact O-N 3.47Å; F174-C177 PolarHBondContact O-N 3.36Å; F174-F178 HydrophobicContact CD1-CD2 4.17Å; F174-F178 AromaticContact CD2-CD2 3.51Å; F174-F178 HydrophobicContact CD2-CD2 3.51Å; F174-F178 AromaticContact CD2-CE2 3.6Å; F174-F178 HydrophobicContact CD2-CE2 3.6Å; F174-F178 HydrophobicContact CE1-CD2 4.05Å; F174-F178 AromaticContact CE2-CD2 3.35Å; F174-F178 HydrophobicContact CE2-CD2 3.35Å; F174-F178 AromaticContact CE2-CE2 3.37Å; F174-F178 HydrophobicContact CE2-CE2 3.37Å; F174-F178 AromaticContact CG-CD2 3.93Å; F174-F178 HydrophobicContact CG-CD2 3.93Å; F174-F178 HydrophobicContact CG-CE2 4.43Å; F174-F178 AromaticContact CZ-CD2 3.64Å; F174-F178 HydrophobicContact CZ-CD2 3.64Å; F174-F178 HydrophobicContact CZ-CE2 4.06Å; F174-F178 HydrophobicContact CZ-CG 4.47Å; F174-F178 PolarHBondContact O-N 2.92Å; F174-F179 HydrophobicContact CD1-CE2 4.44Å; F174-F179 AromaticContact CE1-CE2 3.88Å; F174-F179 HydrophobicContact CE1-CE2 3.88Å; F174-I272 HydrophobicContact CZ-CG2 4.12Å; F174-M279 HydrophobicContact CB-CE 4.1Å; F174-M279 HydrophobicContact CB-SD 4.41Å; F174-M279 HydrophobicContact CD2-CE 4.42Å; F174-M279 HydrophobicContact CD2-SD 3.69Å; F174-M279 HydrophobicContact CE2-SD 4.45Å; F174-M279 HydrophobicContact CG-SD 4.43Å |
| 175 | I | 88.9 | Confident | 84.5 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.7 | -43.3 | -179 | -68.6 | 171.6 | 0 | 0 | 0 | 110.6 | M153 I171 Y172 F179 L180 W202 V206 | M153-I175 HydrophobicContact CB-CD1 4.25Å; M153-I175 HydrophobicContact CB-CG1 4.16Å; M153-I175 HydrophobicContact SD-CG2 4.27Å; I171-I175 HydrophobicContact CG2-CD1 3.92Å; I171-I175 VanDerWaalsContact O-CG1 3.29Å; I171-I175 WeakPolarHBondContact O-CG1 3.14Å; I171-I175 PolarHBondContact O-N 2.8Å; Y172-I175 PolarHBondContact O-N 2.91Å; I175-F179 WeakPolarHBondContact O-CB 3.35Å; I175-F179 PolarHBondContact O-N 3.27Å; I175-L180 HydrophobicContact CG2-CD1 4.05Å; I175-L180 HydrophobicContact CG2-CG 4.2Å; I175-L180 PolarHBondContact O-N 2.89Å; I175-L180 VanDerWaalsContact O-N 3.13Å; I175-W202 HydrophobicContact CB-CH2 4.43Å; I175-W202 HydrophobicContact CB-CZ3 4.17Å; I175-W202 HydrophobicContact CD1-CZ3 4.28Å; I175-W202 HydrophobicContact CG2-CE3 4.35Å; I175-W202 HydrophobicContact CG2-CH2 4.31Å; I175-W202 HydrophobicContact CG2-CZ3 3.92Å; I175-V206 HydrophobicContact CD1-CG2 3.73Å |
| 176 | V | 85.9 | Confident | 83.3 | Confident | 50 Ų | 50 | 42 Ų | 42 | 30% | 0.303 | 20% | 0.2 | S | C | . | . | I | π-helix | trans | -63.3 | -51.4 | 176.5 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | Y172 F174 F178 L180 D181 W202 | Y172-V176 WeakPolarHBondContact O-CB 3.48Å; Y172-V176 VanDerWaalsContact O-CG2 3.3Å; Y172-V176 WeakPolarHBondContact O-CG2 3.49Å; Y172-V176 PolarHBondContact O-N 3.12Å; F174-V176 VanDerWaalsContact C-N 3.33Å; F174-V176 PolarHBondContact O-N 3.47Å; V176-F178 PolarHBondContact O-N 3.49Å; V176-L180 HydrophobicContact CG2-CD1 4.3Å; V176-L180 CarbonylContact O-C 3.6Å; V176-L180 PolarHBondContact O-N 3.28Å; V176-D181 WeakPolarHBondContact O-CB 3.41Å; V176-D181 PolarHBondContact O-N 3.2Å; V176-W202 HydrophobicContact CG2-CH2 3.79Å; V176-W202 HydrophobicContact CG2-CZ2 3.54Å |
| 177 | C | 84.9 | Confident | 81.7 | Confident | 46 Ų | 46 | 45.6 Ų | 45.6 | 31% | 0.311 | 22% | 0.215 | S | C | . | . | I | π-helix | trans | -68.4 | -35.6 | -172.5 | -166.8 | 0 | 0 | 0 | 0 | 113.9 | D173 F174 D181 A264 P280 | D173-C177 WeakPolarHBondContact O-CB 3.45Å; D173-C177 PolarHBondContact O-N 3.22Å; F174-C177 PolarHBondContact O-N 3.36Å; C177-D181 WeakPolarHBondContact O-CB 3.45Å; C177-A264 VanDerWaalsContact O-CB 3.26Å; C177-A264 WeakPolarHBondContact O-CB 3.46Å; C177-P280 HydrophobicContact CB-CB 3.69Å; C177-P280 HydrophobicContact CB-CG 3.86Å; C177-P280 VanDerWaalsContact SG-CB 3.57Å |
| 178 | F | 83.6 | Confident | 80.1 | Confident | 12 Ų | 12 | 45.5 Ų | 45.5 | 5% | 0.053 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -98.3 | -41.5 | -176 | -72.6 | -62.5 | 0 | 0 | 0 | 114.2 | F174 V176 L263 A264 I272 K277 P280 | F174-F178 HydrophobicContact CD1-CD2 4.17Å; F174-F178 AromaticContact CD2-CD2 3.51Å; F174-F178 HydrophobicContact CD2-CD2 3.51Å; F174-F178 AromaticContact CD2-CE2 3.6Å; F174-F178 HydrophobicContact CD2-CE2 3.6Å; F174-F178 HydrophobicContact CE1-CD2 4.05Å; F174-F178 AromaticContact CE2-CD2 3.35Å; F174-F178 HydrophobicContact CE2-CD2 3.35Å; F174-F178 AromaticContact CE2-CE2 3.37Å; F174-F178 HydrophobicContact CE2-CE2 3.37Å; F174-F178 AromaticContact CG-CD2 3.93Å; F174-F178 HydrophobicContact CG-CD2 3.93Å; F174-F178 HydrophobicContact CG-CE2 4.43Å; F174-F178 AromaticContact CZ-CD2 3.64Å; F174-F178 HydrophobicContact CZ-CD2 3.64Å; F174-F178 HydrophobicContact CZ-CE2 4.06Å; F174-F178 HydrophobicContact CZ-CG 4.47Å; F174-F178 PolarHBondContact O-N 2.92Å; V176-F178 PolarHBondContact O-N 3.49Å; F178-L263 HydrophobicContact CB-CD2 4.47Å; F178-L263 CarbonylContact O-C 3.44Å; F178-L263 WeakPolarHBondContact O-CA 3.49Å; F178-L263 WeakPolarHBondContact O-CD2 3.33Å; F178-A264 PolarHBondContact O-N 3.5Å; F178-I272 HydrophobicContact CB-CD1 4.33Å; F178-I272 HydrophobicContact CD1-CD1 3.59Å; F178-I272 HydrophobicContact CD1-CG1 4.35Å; F178-I272 HydrophobicContact CE1-CD1 4.05Å; F178-I272 HydrophobicContact CE1-CG1 4.43Å; F178-I272 HydrophobicContact CG-CD1 4Å; F178-K277 HydrophobicContact CE1-CD 4.42Å; F178-K277 HydrophobicContact CE1-CG 3.69Å; F178-K277 HydrophobicContact CZ-CG 3.53Å; F178-P280 HydrophobicContact CE2-CB 4.41Å; F178-P280 HydrophobicContact CE2-CG 4.39Å |
| 179 | F | 80.9 | Confident | 78.2 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.009 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -105.5 | -20.3 | -172.3 | -64.2 | -64.2 | 0 | 0 | 0 | 114.8 | P146 Y148 M153 L156 F174 I175 I183 S262 L263 | P146-F179 HydrophobicContact CG-CB 4Å; Y148-F179 HydrophobicContact CD2-CD1 4.28Å; Y148-F179 AromaticContact CD2-CE1 3.52Å; Y148-F179 HydrophobicContact CD2-CE1 3.52Å; Y148-F179 AromaticContact CD2-CZ 3.91Å; Y148-F179 HydrophobicContact CD2-CZ 3.91Å; Y148-F179 AromaticContact CE2-CE1 3.66Å; Y148-F179 HydrophobicContact CE2-CE1 3.66Å; Y148-F179 HydrophobicContact CE2-CZ 4.07Å; M153-F179 HydrophobicContact CB-CD2 4.28Å; M153-F179 HydrophobicContact CB-CE2 4.1Å; M153-F179 HydrophobicContact CG-CD2 3.76Å; M153-F179 HydrophobicContact CG-CE2 3.74Å; M153-F179 HydrophobicContact CG-CG 4.33Å; M153-F179 HydrophobicContact CG-CZ 4.32Å; M153-F179 HydrophobicContact SD-CB 4.2Å; M153-F179 HydrophobicContact SD-CD2 3.83Å; M153-F179 HydrophobicContact SD-CE2 4.43Å; M153-F179 HydrophobicContact SD-CG 4.04Å; L156-F179 HydrophobicContact CD1-CE2 4.46Å; L156-F179 HydrophobicContact CD1-CZ 3.75Å; F174-F179 HydrophobicContact CD1-CE2 4.44Å; F174-F179 AromaticContact CE1-CE2 3.88Å; F174-F179 HydrophobicContact CE1-CE2 3.88Å; I175-F179 WeakPolarHBondContact O-CB 3.35Å; I175-F179 PolarHBondContact O-N 3.27Å; F179-I183 WeakPolarHBondContact O-CD1 3.35Å; F179-S262 CarbonylContact C-O 3.46Å; F179-L263 HydrophobicContact CD1-CD2 3.71Å; F179-L263 HydrophobicContact CE1-CD2 3.55Å; F179-L263 HydrophobicContact CE1-CG 4.45Å; F179-L263 HydrophobicContact CZ-CD2 4.42Å |
| 180 | L | 77 | Confident | 76.3 | Confident | 27 Ų | 27 | 53.5 Ų | 53.5 | 14% | 0.141 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -111.2 | -20.1 | -179 | -52.5 | 177.8 | 0 | 0 | 0 | 113 | P146 I175 V176 R182 I183 I184 W202 | P146-L180 HydrophobicContact CG-CD2 4.46Å; I175-L180 HydrophobicContact CG2-CD1 4.05Å; I175-L180 HydrophobicContact CG2-CG 4.2Å; I175-L180 PolarHBondContact O-N 2.89Å; I175-L180 VanDerWaalsContact O-N 3.13Å; V176-L180 HydrophobicContact CG2-CD1 4.3Å; V176-L180 CarbonylContact O-C 3.6Å; V176-L180 PolarHBondContact O-N 3.28Å; L180-R182 PolarHBondContact O-N 2.82Å; L180-I183 HydrophobicContact CD2-CD1 4.17Å; L180-I183 PolarHBondContact O-N 3.1Å; L180-I184 HydrophobicContact CB-CD1 3.62Å; L180-I184 HydrophobicContact CB-CG1 4.15Å; L180-I184 WeakPolarHBondContact O-CA 3.47Å; L180-I184 WeakPolarHBondContact O-CB 3.15Å; L180-I184 WeakPolarHBondContact O-CG1 3.39Å; L180-I184 PolarHBondContact O-N 3.1Å; L180-W202 HydrophobicContact CD1-CD2 4.4Å; L180-W202 HydrophobicContact CD1-CZ2 4.17Å |
| 181 | D | 76.5 | Confident | 74.1 | Confident | 36 Ų | 36 | 57.4 Ų | 57.4 | 19% | 0.193 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -40.5 | -173.3 | -179.6 | 59.9 | 0 | 0 | 0 | 113 | V176 C177 R185 A264 | V176-D181 WeakPolarHBondContact O-CB 3.41Å; V176-D181 PolarHBondContact O-N 3.2Å; C177-D181 WeakPolarHBondContact O-CB 3.45Å; D181-R185 VanDerWaalsContact CG-NH2 3.31Å; D181-R185 WeakPolarHBondContact O-CB 3.37Å; D181-R185 WeakPolarHBondContact O-CG 3.46Å; D181-R185 PolarHBondContact O-N 3.14Å; D181-R185 IonicContact OD1-CZ 2.99Å; D181-R185 IonicContact OD1-NE 3.77Å; D181-R185 PolarHBondContact OD1-NE 3.39Å; D181-R185 IonicContact OD1-NH2 3.61Å; D181-R185 PolarHBondContact OD1-NH2 3.18Å; D181-R185 VanDerWaalsContact OD1-NH2 3.12Å; D181-R185 IonicContact OD2-CZ 3.45Å; D181-R185 IonicContact OD2-NE 3.43Å; D181-R185 PolarHBondContact OD2-NE 3.07Å; D181-R185 IonicContact OD2-NH1 2.71Å; D181-R185 IonicContact OD2-NH2 2.66Å; D181-R185 PolarHBondContact OD2-NH2 3.29Å; D181-A264 HydrophobicContact CB-CB 4.16Å |
| 182 | R | 72 | Confident | 71.7 | Confident | 63 Ų | 63 | 62.5 Ų | 62.5 | 24% | 0.238 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.9 | -56.7 | 170.5 | 172.7 | 168.7 | 172.3 | -169.5 | -11.4 | 111.4 | L180 I184 R185 E186 K260 D261 L263 | L180-R182 PolarHBondContact O-N 2.82Å; R182-I184 PolarHBondContact O-N 2.91Å; R182-R185 PolarHBondContact O-N 3.39Å; R182-E186 WeakPolarHBondContact CG-OE2 3.35Å; R182-E186 IonicContact CZ-OE2 2.85Å; R182-E186 IonicContact NE-OE2 2.71Å; R182-E186 PolarHBondContact NE-OE2 3.21Å; R182-E186 IonicContact NH2-OE2 2.94Å; R182-E186 VanDerWaalsContact O-CB 3.26Å; R182-E186 WeakPolarHBondContact O-CB 3.28Å; R182-E186 PolarHBondContact O-N 3.11Å; R182-K260 PolarHBondContact NH1-O 2.93Å; R182-D261 VanDerWaalsContact CD-O 3.3Å; R182-D261 WeakPolarHBondContact CD-O 3.01Å; R182-D261 VanDerWaalsContact CZ-O 3.26Å; R182-D261 IonicContact CZ-OD1 3.99Å; R182-D261 PolarHBondContact NE-O 2.91Å; R182-D261 PolarHBondContact NH1-O 3.01Å; R182-D261 IonicContact NH1-OD1 3.39Å; R182-D261 PolarHBondContact NH1-OD1 2.91Å; R182-D261 IonicContact NH2-OD1 2.69Å; R182-D261 PolarHBondContact NH2-OD1 3.09Å; R182-L263 WeakPolarHBondContact CB-O 3.4Å; R182-L263 VanDerWaalsContact CD-O 3.24Å; R182-L263 WeakPolarHBondContact CD-O 3.42Å |
| 183 | I | 68.6 | Low | 69.5 | Low | 8 Ų | 8 | 66.6 Ų | 66.6 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -49.2 | -46.1 | 178 | -64.6 | 169.2 | 0 | 0 | 0 | 111.1 | Y143 P144 P146 F179 L180 F187 | Y143-I183 HydrophobicContact CD1-CG2 3.63Å; Y143-I183 HydrophobicContact CG-CG2 4.11Å; P144-I183 HydrophobicContact CG-CG1 4.42Å; P144-I183 WeakPolarHBondContact O-CD1 3.3Å; P146-I183 HydrophobicContact CG-CD1 3.98Å; F179-I183 WeakPolarHBondContact O-CD1 3.35Å; L180-I183 HydrophobicContact CD2-CD1 4.17Å; L180-I183 PolarHBondContact O-N 3.1Å; I183-F187 WeakPolarHBondContact O-CB 3.41Å; I183-F187 PolarHBondContact O-N 3.38Å |
| 184 | I | 68.4 | Low | 67.4 | Low | 15 Ų | 15 | 72.4 Ų | 72.4 | 8% | 0.077 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68 | -41.8 | -179.5 | -75.1 | 171.4 | 0 | 0 | 0 | 110.7 | L180 R182 R188 A198 | L180-I184 HydrophobicContact CB-CD1 3.62Å; L180-I184 HydrophobicContact CB-CG1 4.15Å; L180-I184 WeakPolarHBondContact O-CA 3.47Å; L180-I184 WeakPolarHBondContact O-CB 3.15Å; L180-I184 WeakPolarHBondContact O-CG1 3.39Å; L180-I184 PolarHBondContact O-N 3.1Å; R182-I184 PolarHBondContact O-N 2.91Å; I184-R188 HydrophobicContact CG2-CG 4.27Å; I184-R188 VanDerWaalsContact CG2-NE 3.26Å; I184-R188 WeakPolarHBondContact O-CB 3.36Å; I184-R188 WeakPolarHBondContact O-CD 3.12Å; I184-R188 WeakPolarHBondContact O-CG 3.4Å; I184-R188 PolarHBondContact O-N 3.18Å; I184-A198 HydrophobicContact CD1-CB 4.26Å |
| 185 | R | 68.6 | Low | 65.1 | Low | 171 Ų | 171 | 78.1 Ų | 78.1 | 65% | 0.645 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -69.5 | -44.2 | 177.2 | -73.8 | 171.4 | -167.9 | -162.1 | 8.8 | 112.1 | D181 R182 R188 | D181-R185 VanDerWaalsContact CG-NH2 3.31Å; D181-R185 WeakPolarHBondContact O-CB 3.37Å; D181-R185 WeakPolarHBondContact O-CG 3.46Å; D181-R185 PolarHBondContact O-N 3.14Å; D181-R185 IonicContact OD1-CZ 2.99Å; D181-R185 IonicContact OD1-NE 3.77Å; D181-R185 PolarHBondContact OD1-NE 3.39Å; D181-R185 IonicContact OD1-NH2 3.61Å; D181-R185 PolarHBondContact OD1-NH2 3.18Å; D181-R185 VanDerWaalsContact OD1-NH2 3.12Å; D181-R185 IonicContact OD2-CZ 3.45Å; D181-R185 IonicContact OD2-NE 3.43Å; D181-R185 PolarHBondContact OD2-NE 3.07Å; D181-R185 IonicContact OD2-NH1 2.71Å; D181-R185 IonicContact OD2-NH2 2.66Å; D181-R185 PolarHBondContact OD2-NH2 3.29Å; R182-R185 PolarHBondContact O-N 3.39Å; R185-R188 PolarHBondContact O-N 2.9Å |
| 186 | E | 66.4 | Low | 63.1 | Low | 109 Ų | 109 | 80 Ų | 80 | 51% | 0.509 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | -177 | -161.6 | 165.9 | 164.4 | 0 | 0 | 110.8 | R182 S189 | R182-E186 WeakPolarHBondContact CG-OE2 3.35Å; R182-E186 IonicContact CZ-OE2 2.85Å; R182-E186 IonicContact NE-OE2 2.71Å; R182-E186 PolarHBondContact NE-OE2 3.21Å; R182-E186 IonicContact NH2-OE2 2.94Å; R182-E186 VanDerWaalsContact O-CB 3.26Å; R182-E186 WeakPolarHBondContact O-CB 3.28Å; R182-E186 PolarHBondContact O-N 3.11Å; E186-S189 PolarHBondContact O-OG 2.89Å |
| 187 | F | 60.8 | Low | 61.4 | Low | 82 Ų | 82 | 82.3 Ų | 82.3 | 36% | 0.36 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -88.4 | -2.6 | 175.3 | -78.8 | -105 | 0 | 0 | 0 | 115.1 | Y143 P144 I183 S189 | Y143-F187 HydrophobicContact CD1-CB 3.67Å; Y143-F187 HydrophobicContact CD1-CD1 4.33Å; Y143-F187 HydrophobicContact CD1-CD2 4.41Å; Y143-F187 AromaticContact CD1-CG 3.9Å; Y143-F187 HydrophobicContact CD1-CG 3.9Å; Y143-F187 HydrophobicContact CE1-CB 3.46Å; Y143-F187 VanDerWaalsContact CE1-CB 3.46Å; Y143-F187 HydrophobicContact CE1-CG 4.17Å; P144-F187 HydrophobicContact CG-CE2 3.97Å; I183-F187 WeakPolarHBondContact O-CB 3.41Å; I183-F187 PolarHBondContact O-N 3.38Å; F187-S189 VanDerWaalsContact C-N 3.32Å |
| 188 | R | 58.5 | Low | 60 | Low | 114 Ų | 114 | 81.6 Ų | 81.6 | 43% | 0.43 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 1.6 | 169.8 | -89.5 | 175.5 | -178.6 | 170.6 | -0.7 | 113.8 | I184 R185 E190 V196 | I184-R188 HydrophobicContact CG2-CG 4.27Å; I184-R188 VanDerWaalsContact CG2-NE 3.26Å; I184-R188 WeakPolarHBondContact O-CB 3.36Å; I184-R188 WeakPolarHBondContact O-CD 3.12Å; I184-R188 WeakPolarHBondContact O-CG 3.4Å; I184-R188 PolarHBondContact O-N 3.18Å; R185-R188 PolarHBondContact O-N 2.9Å; R188-E190 PolarHBondContact O-N 3.48Å; R188-V196 HydrophobicContact CG-CB 4.08Å; R188-V196 HydrophobicContact CG-CG1 3.67Å; R188-V196 HydrophobicContact CG-CG2 4.32Å; R188-V196 PolarHBondContact NH2-O 3.37Å |
| 189 | S | 53.5 | Low | 58.9 | Low | 96 Ų | 96 | 84.5 Ų | 84.5 | 67% | 0.671 | 42% | 0.422 | S | S | * | . | trans | -59.7 | -17.4 | -176 | 42.7 | 0 | 0 | 0 | 0 | 113.8 | E186 F187 | E186-S189 PolarHBondContact O-OG 2.89Å; F187-S189 VanDerWaalsContact C-N 3.32Å | ||
| 190 | E | 50.1 | Low | 58.1 | Low | 155 Ų | 155 | 88.8 Ų | 88.8 | 72% | 0.724 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -114.1 | 105.5 | 179 | -66.1 | -177.1 | -163.3 | 0 | 0 | 112.6 | R188 | R188-E190 PolarHBondContact O-N 3.48Š|
| 191 | N | 46 | Very low | 58.3 | Low | 128 Ų | 128 | 89.5 Ų | 89.5 | 68% | 0.684 | 47% | 0.466 | S | S | * | . | S | Bend | trans | 68.2 | 118.9 | 156.1 | -53 | -68 | 0 | 0 | 0 | 118.7 | ||
| 192 | F | 43.2 | Very low | 58.7 | Low | 107 Ų | 107 | 88.5 Ų | 88.5 | 47% | 0.469 | 46% | 0.46 | S | S | . | . | trans | 71 | 82.2 | 165.8 | -66.8 | -78.5 | 0 | 0 | 0 | 120 | F194 V196 Y320 | F192-F194 PolarHBondContact O-N 3.4Å; F192-V196 VanDerWaalsContact O-CG2 3.24Å; F192-V196 WeakPolarHBondContact O-CG2 3.43Å; F192-Y320 HydrophobicContact CD1-CE1 4.38Å; F192-Y320 AromaticContact CE1-CD1 3.77Å; F192-Y320 HydrophobicContact CE1-CD1 3.77Å; F192-Y320 HydrophobicContact CE1-CD2 4.43Å; F192-Y320 AromaticContact CE1-CE1 3.51Å; F192-Y320 HydrophobicContact CE1-CE1 3.51Å; F192-Y320 HydrophobicContact CE1-CE2 4.22Å; F192-Y320 HydrophobicContact CE1-CG 4.22Å; F192-Y320 AromaticContact CE1-CZ 3.75Å; F192-Y320 HydrophobicContact CE2-CE1 4.25Å; F192-Y320 AromaticContact CE2-CE2 3.8Å; F192-Y320 HydrophobicContact CE2-CE2 3.8Å; F192-Y320 AromaticContact CE2-CZ 3.61Å; F192-Y320 AromaticContact CZ-CD1 3.84Å; F192-Y320 HydrophobicContact CZ-CD1 3.84Å; F192-Y320 AromaticContact CZ-CD2 3.7Å; F192-Y320 HydrophobicContact CZ-CD2 3.7Å; F192-Y320 AromaticContact CZ-CE1 3.45Å; F192-Y320 HydrophobicContact CZ-CE1 3.45Å; F192-Y320 VanDerWaalsContact CZ-CE1 3.45Å; F192-Y320 AromaticContact CZ-CE2 3.31Å; F192-Y320 HydrophobicContact CZ-CE2 3.31Å; F192-Y320 AromaticContact CZ-CG 3.95Å; F192-Y320 HydrophobicContact CZ-CG 3.95Å; F192-Y320 AromaticContact CZ-CZ 3.17Å | ||
| 193 | P | 45.5 | Very low | 59.5 | Low | 122 Ų | 122 | 89.7 Ų | 89.7 | 79% | 0.792 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 80.8 | 171.7 | 35.3 | -34.8 | 0 | 0 | 0 | 112.4 | ||
| 194 | F | 45.2 | Very low | 60.5 | Low | 175 Ų | 175 | 93.7 Ų | 93.7 | 77% | 0.768 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.1 | -32.5 | 166.3 | -150.1 | -107.4 | 0 | 0 | 0 | 114.7 | F192 | F192-F194 PolarHBondContact O-N 3.4Š|
| 195 | F | 42.3 | Very low | 61.6 | Low | 121 Ų | 121 | 94.9 Ų | 94.9 | 53% | 0.531 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -131.5 | 5.1 | -178.9 | -71.9 | -66.9 | 0 | 0 | 0 | 115.5 | Y48 T197 | Y48-F195 HydrophobicContact CE1-CE1 4.15Å; F195-T197 PolarHBondContact O-N 2.81Å |
| 196 | V | 47.1 | Very low | 62.7 | Low | 41 Ų | 41 | 86.8 Ų | 86.8 | 25% | 0.248 | 47% | 0.467 | C | S | . | . | trans | -53.8 | 114.7 | -159.4 | -177.5 | 0 | 0 | 0 | 0 | 113.8 | R188 F192 A198 | R188-V196 HydrophobicContact CG-CB 4.08Å; R188-V196 HydrophobicContact CG-CG1 3.67Å; R188-V196 HydrophobicContact CG-CG2 4.32Å; R188-V196 PolarHBondContact NH2-O 3.37Å; F192-V196 VanDerWaalsContact O-CG2 3.24Å; F192-V196 WeakPolarHBondContact O-CG2 3.43Å; V196-A198 PolarHBondContact O-N 2.92Å | ||
| 197 | T | 50.8 | Low | 64 | Low | 98 Ų | 98 | 85.5 Ų | 85.5 | 60% | 0.601 | 46% | 0.458 | S | S | * | . | trans | -78.4 | 104.3 | -158.2 | -39.1 | 0 | 0 | 0 | 0 | 112.4 | F195 | F195-T197 PolarHBondContact O-N 2.81Š| ||
| 198 | A | 54.9 | Low | 65.6 | Low | 32 Ų | 32 | 86.4 Ų | 86.4 | 26% | 0.264 | 46% | 0.463 | S | S | . | . | trans | -62 | 130.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | I184 V196 S200 | I184-A198 HydrophobicContact CD1-CB 4.26Å; V196-A198 PolarHBondContact O-N 2.92Å; A198-S200 PolarHBondContact O-N 3.34Å | ||
| 199 | P | 59.7 | Low | 67.3 | Low | 73 Ų | 73 | 82.3 Ų | 82.3 | 47% | 0.474 | 45% | 0.449 | S | S | . | . | trans | -58.6 | 114.6 | -163 | 15.8 | -28.3 | 0 | 0 | 0 | 111.9 | G201 W202 | P199-G201 PolarHBondContact O-N 2.98Å; P199-W202 PolarHBondContact O-N 3.17Å | ||
| 200 | S | 65 | Low | 69.1 | Low | 92 Ų | 92 | 77.8 Ų | 77.8 | 64% | 0.643 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -30.2 | -168.8 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | A198 W202 | A198-S200 PolarHBondContact O-N 3.34Å; S200-W202 PolarHBondContact O-N 2.73Å |
| 201 | G | 80.6 | Confident | 71.1 | Confident | 41 Ų | 41 | 74.8 Ų | 74.8 | 42% | 0.423 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.6 | -31.7 | 174 | 0 | 0 | 0 | 0 | 0 | 116.1 | P199 K203 N204 S205 | P199-G201 PolarHBondContact O-N 2.98Å; G201-K203 VanDerWaalsContact C-N 3.28Å; G201-K203 PolarHBondContact O-N 3.02Å; G201-N204 WeakPolarHBondContact O-CA 3.46Å; G201-N204 VanDerWaalsContact O-CB 3.28Å; G201-N204 WeakPolarHBondContact O-CB 3.29Å; G201-N204 PolarHBondContact O-N 3.45Å; G201-S205 PolarHBondContact O-N 3.28Å; G201-S205 PolarHBondContact O-OG 3.49Å |
| 202 | W | 85.4 | Confident | 73.3 | Confident | 15 Ų | 15 | 73.4 Ų | 73.4 | 6% | 0.057 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.9 | -35.1 | -175.5 | 77.6 | -107.8 | 0 | 0 | 0 | 112.2 | Y150 Y172 I175 V176 L180 P199 S200 N204 S205 V206 | Y150-W202 HydrophobicContact CE1-CB 4.33Å; Y150-W202 WeakPolarHBondContact OH-CB 3.5Å; Y172-W202 AromaticContact CD1-CH2 3.91Å; Y172-W202 HydrophobicContact CD1-CH2 3.91Å; Y172-W202 AromaticContact CD1-CZ3 3.72Å; Y172-W202 HydrophobicContact CD1-CZ3 3.72Å; Y172-W202 HydrophobicContact CE1-CZ3 4.49Å; Y172-W202 HydrophobicContact CG-CH2 4.16Å; Y172-W202 HydrophobicContact CG-CZ3 4.43Å; I175-W202 HydrophobicContact CB-CH2 4.43Å; I175-W202 HydrophobicContact CB-CZ3 4.17Å; I175-W202 HydrophobicContact CD1-CZ3 4.28Å; I175-W202 HydrophobicContact CG2-CE3 4.35Å; I175-W202 HydrophobicContact CG2-CH2 4.31Å; I175-W202 HydrophobicContact CG2-CZ3 3.92Å; V176-W202 HydrophobicContact CG2-CH2 3.79Å; V176-W202 HydrophobicContact CG2-CZ2 3.54Å; L180-W202 HydrophobicContact CD1-CD2 4.4Å; L180-W202 HydrophobicContact CD1-CZ2 4.17Å; P199-W202 PolarHBondContact O-N 3.17Å; S200-W202 PolarHBondContact O-N 2.73Å; W202-N204 VanDerWaalsContact C-N 3.25Å; W202-N204 PolarHBondContact O-N 3.16Å; W202-S205 WeakPolarHBondContact O-CB 3.47Å; W202-S205 PolarHBondContact O-N 3.05Å; W202-V206 HydrophobicContact CE3-CG2 3.81Å; W202-V206 HydrophobicContact CZ3-CG2 4.02Å; W202-V206 WeakPolarHBondContact O-CG2 3.45Å; W202-V206 PolarHBondContact O-N 3.45Å |
| 203 | K | 88.8 | Confident | 75.6 | Confident | 88 Ų | 88 | 70.1 Ų | 70.1 | 38% | 0.383 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.1 | -32.6 | 174.3 | -66.8 | -176.1 | 179.8 | 176.8 | 0 | 111.6 | Y172 G201 R207 | Y172-K203 HydrophobicContact CD1-CG 4.12Å; Y172-K203 HydrophobicContact CD2-CD 4.44Å; Y172-K203 HydrophobicContact CE1-CB 3.86Å; Y172-K203 HydrophobicContact CE1-CG 3.96Å; Y172-K203 HydrophobicContact CE2-CD 4.34Å; G201-K203 VanDerWaalsContact C-N 3.28Å; G201-K203 PolarHBondContact O-N 3.02Å; K203-R207 WeakPolarHBondContact O-CG 3.48Å; K203-R207 PolarHBondContact O-N 3.13Å; K203-R207 PolarHBondContact O-NH1 3.16Å |
| 204 | N | 89.6 | Confident | 77.8 | Confident | 93 Ų | 93 | 72.2 Ų | 72.2 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -69.7 | -44.7 | 173.4 | -161.3 | 38.3 | 0 | 0 | 0 | 111 | G201 W202 V206 R207 H208 | G201-N204 WeakPolarHBondContact O-CA 3.46Å; G201-N204 VanDerWaalsContact O-CB 3.28Å; G201-N204 WeakPolarHBondContact O-CB 3.29Å; G201-N204 PolarHBondContact O-N 3.45Å; W202-N204 VanDerWaalsContact C-N 3.25Å; W202-N204 PolarHBondContact O-N 3.16Å; N204-V206 VanDerWaalsContact C-N 3.29Å; N204-V206 PolarHBondContact O-N 3.49Å; N204-R207 PolarHBondContact O-N 3.31Å; N204-R207 PolarHBondContact OD1-NH2 2.78Å; N204-H208 WeakPolarHBondContact O-CB 3.44Å; N204-H208 PolarHBondContact O-N 3.43Å |
| 205 | S | 91.8 | Very high | 80 | Confident | 40 Ų | 40 | 64.6 Ų | 64.6 | 28% | 0.28 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.9 | -39.1 | 174.6 | -52 | 0 | 0 | 0 | 0 | 112.6 | G201 W202 N209 | G201-S205 PolarHBondContact O-N 3.28Å; G201-S205 PolarHBondContact O-OG 3.49Å; W202-S205 WeakPolarHBondContact O-CB 3.47Å; W202-S205 PolarHBondContact O-N 3.05Å; S205-N209 WeakPolarHBondContact O-CB 3.48Å; S205-N209 PolarHBondContact O-N 2.86Å; S205-N209 PolarHBondContact O-ND2 3.44Å |
| 206 | V | 91.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.9 | -48.9 | 174.3 | 168.7 | 0 | 0 | 0 | 0 | 111.5 | Y150 I154 I171 Y172 I175 W202 N204 H208 N209 L210 | Y150-V206 HydrophobicContact CD1-CG2 3.7Å; Y150-V206 HydrophobicContact CE1-CG2 4.09Å; I154-V206 HydrophobicContact CD1-CG1 4.2Å; I154-V206 HydrophobicContact CG1-CG1 4.28Å; I171-V206 HydrophobicContact CG2-CG1 3.99Å; Y172-V206 HydrophobicContact CD1-CG1 4.25Å; Y172-V206 HydrophobicContact CE1-CB 4.21Å; Y172-V206 HydrophobicContact CE1-CG1 3.98Å; I175-V206 HydrophobicContact CD1-CG2 3.73Å; W202-V206 HydrophobicContact CE3-CG2 3.81Å; W202-V206 HydrophobicContact CZ3-CG2 4.02Å; W202-V206 WeakPolarHBondContact O-CG2 3.45Å; W202-V206 PolarHBondContact O-N 3.45Å; N204-V206 VanDerWaalsContact C-N 3.29Å; N204-V206 PolarHBondContact O-N 3.49Å; V206-H208 VanDerWaalsContact C-N 3.32Å; V206-H208 PolarHBondContact O-N 2.97Å; V206-N209 PolarHBondContact O-N 3.25Å; V206-L210 HydrophobicContact CG1-CD1 4.32Å; V206-L210 WeakPolarHBondContact O-CG 3.37Å; V206-L210 PolarHBondContact O-N 2.98Å |
| 207 | R | 93.7 | Very high | 84.7 | Confident | 83 Ų | 83 | 60.8 Ų | 60.8 | 31% | 0.313 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 176.9 | -69.5 | -172.5 | -54.9 | -92.4 | 8.7 | 112.6 | V168 Y172 K203 N204 L210 S211 | V168-R207 HydrophobicContact CG1-CG 4.25Å; Y172-R207 WeakPolarHBondContact OH-CD 3.48Å; Y172-R207 WeakPolarHBondContact OH-CG 3.35Å; Y172-R207 PolarHBondContact OH-NH1 3Å; Y172-R207 VanDerWaalsContact OH-NH1 3.12Å; K203-R207 WeakPolarHBondContact O-CG 3.48Å; K203-R207 PolarHBondContact O-N 3.13Å; K203-R207 PolarHBondContact O-NH1 3.16Å; N204-R207 PolarHBondContact O-N 3.31Å; N204-R207 PolarHBondContact OD1-NH2 2.78Å; R207-L210 PolarHBondContact O-N 3.31Å; R207-S211 PolarHBondContact O-N 3.44Å; R207-S211 PolarHBondContact O-OG 2.98Å |
| 208 | H | 93.3 | Very high | 86.8 | Confident | 100 Ų | 100 | 61.5 Ų | 61.5 | 46% | 0.463 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 175.2 | 172.3 | 74.9 | 0 | 0 | 0 | 112 | N204 V206 L210 S211 L212 | N204-H208 WeakPolarHBondContact O-CB 3.44Å; N204-H208 PolarHBondContact O-N 3.43Å; V206-H208 VanDerWaalsContact C-N 3.32Å; V206-H208 PolarHBondContact O-N 2.97Å; H208-L210 VanDerWaalsContact C-N 3.34Å; H208-L210 PolarHBondContact O-N 3.04Å; H208-S211 PolarHBondContact O-N 2.75Å; H208-S211 PolarHBondContact O-OG 2.92Å; H208-L212 WeakPolarHBondContact NE2-CD1 3.42Å; H208-L212 WeakPolarHBondContact O-CB 3.46Å; H208-L212 PolarHBondContact O-N 2.82Å |
| 209 | N | 94.3 | Very high | 88.5 | Confident | 28 Ų | 28 | 62.8 Ų | 62.8 | 15% | 0.15 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.2 | -32.5 | 176.8 | -86.7 | -91.4 | 0 | 0 | 0 | 112.8 | S151 I154 S205 V206 N213 | S151-N209 PolarHBondContact OG-OD1 3.09Å; I154-N209 HydrophobicContact CD1-CB 3.84Å; S205-N209 WeakPolarHBondContact O-CB 3.48Å; S205-N209 PolarHBondContact O-N 2.86Å; S205-N209 PolarHBondContact O-ND2 3.44Å; V206-N209 PolarHBondContact O-N 3.25Å; N209-N213 WeakPolarHBondContact O-CB 3.36Å; N209-N213 PolarHBondContact O-N 3.26Å; N209-N213 VanDerWaalsContact O-N 3.16Å; N209-N213 PolarHBondContact O-ND2 3.39Å; N209-N213 PolarHBondContact OD1-ND2 2.68Å; N209-N213 VanDerWaalsContact OD1-ND2 3.07Å |
| 210 | L | 92.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 173.4 | -72.4 | 170 | 0 | 0 | 0 | 112.1 | I154 V168 I171 V206 R207 H208 F216 W234 | I154-L210 HydrophobicContact CD1-CD2 4.12Å; I154-L210 HydrophobicContact CD1-CG 4.08Å; I154-L210 HydrophobicContact CG2-CD2 3.65Å; V168-L210 HydrophobicContact CG1-CD1 4.31Å; V168-L210 HydrophobicContact CG2-CD1 4.09Å; I171-L210 HydrophobicContact CD1-CD1 4.19Å; I171-L210 HydrophobicContact CD1-CD2 4.1Å; V206-L210 HydrophobicContact CG1-CD1 4.32Å; V206-L210 WeakPolarHBondContact O-CG 3.37Å; V206-L210 PolarHBondContact O-N 2.98Å; R207-L210 PolarHBondContact O-N 3.31Å; H208-L210 VanDerWaalsContact C-N 3.34Å; H208-L210 PolarHBondContact O-N 3.04Å; L210-F216 HydrophobicContact CD2-CB 4.27Å; L210-F216 HydrophobicContact CD2-CD2 4.23Å; L210-F216 HydrophobicContact CD2-CG 4.15Å; L210-W234 HydrophobicContact CB-CD2 4.13Å; L210-W234 HydrophobicContact CB-CE3 4.09Å; L210-W234 HydrophobicContact CB-CH2 3.88Å; L210-W234 HydrophobicContact CB-CZ2 3.94Å; L210-W234 HydrophobicContact CB-CZ3 3.97Å; L210-W234 HydrophobicContact CD1-CD2 4.29Å; L210-W234 HydrophobicContact CD1-CG 4.32Å; L210-W234 HydrophobicContact CD2-CB 4.2Å; L210-W234 HydrophobicContact CD2-CD2 3.85Å; L210-W234 HydrophobicContact CD2-CE3 3.99Å; L210-W234 HydrophobicContact CD2-CG 3.94Å; L210-W234 HydrophobicContact CG-CD2 4.32Å; L210-W234 WeakPolarHBondContact O-CH2 3.16Å; L210-W234 WeakPolarHBondContact O-CZ3 3.3Å |
| 211 | S | 91.9 | Very high | 90.7 | Very high | 91 Ų | 91 | 63 Ų | 63 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -83.2 | -32.2 | 179.8 | 58.2 | 0 | 0 | 0 | 0 | 114.5 | R207 H208 | R207-S211 PolarHBondContact O-N 3.44Å; R207-S211 PolarHBondContact O-OG 2.98Å; H208-S211 PolarHBondContact O-N 2.75Å; H208-S211 PolarHBondContact O-OG 2.92Å |
| 212 | L | 91.2 | Very high | 90.3 | Very high | 99 Ų | 99 | 66.6 Ų | 66.6 | 52% | 0.518 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -74.7 | -44.6 | -179.7 | -177.4 | 151.8 | 0 | 0 | 0 | 112.1 | H208 K214 | H208-L212 WeakPolarHBondContact NE2-CD1 3.42Å; H208-L212 WeakPolarHBondContact O-CB 3.46Å; H208-L212 PolarHBondContact O-N 2.82Å; L212-K214 PolarHBondContact O-N 2.81Å |
| 213 | N | 91.3 | Very high | 89.4 | Confident | 39 Ų | 39 | 68.6 Ų | 68.6 | 21% | 0.209 | 36% | 0.356 | C | S | . | . | trans | -83.4 | 109.4 | -172.3 | -67 | -68.9 | 0 | 0 | 0 | 111.3 | S151 N209 S215 F216 | S151-N213 PolarHBondContact OG-ND2 3.1Å; N209-N213 WeakPolarHBondContact O-CB 3.36Å; N209-N213 PolarHBondContact O-N 3.26Å; N209-N213 VanDerWaalsContact O-N 3.16Å; N209-N213 PolarHBondContact O-ND2 3.39Å; N209-N213 PolarHBondContact OD1-ND2 2.68Å; N209-N213 VanDerWaalsContact OD1-ND2 3.07Å; N213-S215 PolarHBondContact O-N 3.35Å; N213-F216 HydrophobicContact CB-CD2 3.83Å; N213-F216 HydrophobicContact CB-CE2 3.88Å; N213-F216 PolarHBondContact O-N 2.92Å | ||
| 214 | K | 91.5 | Very high | 88.4 | Confident | 166 Ų | 166 | 71.4 Ų | 71.4 | 72% | 0.722 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 8.2 | 171.3 | -60.5 | -178.8 | -179.7 | 179.9 | 0 | 115.3 | L212 N237 K240 | L212-K214 PolarHBondContact O-N 2.81Å; K214-N237 PolarHBondContact O-ND2 2.95Å; K214-K240 WeakPolarHBondContact O-CD 3.44Å; K214-K240 PolarHBondContact O-NZ 3.13Å; K214-K240 VanDerWaalsContact O-NZ 3.15Å |
| 215 | S | 91.9 | Very high | 87.2 | Confident | 14 Ų | 14 | 73.6 Ų | 73.6 | 10% | 0.098 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -14.3 | 172.9 | -54.8 | 0 | 0 | 0 | 0 | 112.7 | N213 N237 I244 | N213-S215 PolarHBondContact O-N 3.35Å; S215-N237 VanDerWaalsContact O-CB 3.24Å; S215-N237 WeakPolarHBondContact O-CB 3.07Å; S215-N237 PolarHBondContact O-N 3.48Å; S215-I244 VanDerWaalsContact CB-CD1 3.4Å |
| 216 | F | 94.8 | Very high | 85.7 | Confident | 9 Ų | 9 | 78.3 Ų | 78.3 | 4% | 0.039 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 135.5 | 170.5 | -51.6 | -58.3 | 0 | 0 | 0 | 109.2 | S151 I154 A155 L158 L210 N213 W234 S235 L236 I244 | S151-F216 WeakPolarHBondContact O-CZ 3.46Å; I154-F216 HydrophobicContact CB-CE1 4.08Å; I154-F216 HydrophobicContact CB-CE2 4.29Å; I154-F216 HydrophobicContact CB-CZ 3.76Å; I154-F216 HydrophobicContact CD1-CE2 4.18Å; I154-F216 HydrophobicContact CD1-CZ 4.49Å; I154-F216 HydrophobicContact CG2-CD1 3.82Å; I154-F216 HydrophobicContact CG2-CD2 4.36Å; I154-F216 HydrophobicContact CG2-CE1 3.45Å; I154-F216 VanDerWaalsContact CG2-CE1 3.45Å; I154-F216 HydrophobicContact CG2-CE2 4.03Å; I154-F216 HydrophobicContact CG2-CG 4.27Å; I154-F216 HydrophobicContact CG2-CZ 3.57Å; A155-F216 HydrophobicContact CB-CE1 4.3Å; L158-F216 HydrophobicContact CD1-CD1 3.72Å; L158-F216 HydrophobicContact CD1-CE1 4.02Å; L210-F216 HydrophobicContact CD2-CB 4.27Å; L210-F216 HydrophobicContact CD2-CD2 4.23Å; L210-F216 HydrophobicContact CD2-CG 4.15Å; N213-F216 HydrophobicContact CB-CD2 3.83Å; N213-F216 HydrophobicContact CB-CE2 3.88Å; N213-F216 PolarHBondContact O-N 2.92Å; F216-W234 HydrophobicContact CB-CE3 3.95Å; F216-W234 HydrophobicContact CB-CZ3 4.31Å; F216-S235 WeakPolarHBondContact CA-O 3.35Å; F216-L236 HydrophobicContact CD1-CD1 3.97Å; F216-L236 HydrophobicContact CE1-CD1 3.76Å; F216-I244 HydrophobicContact CE1-CD1 4.22Å; F216-I244 HydrophobicContact CZ-CD1 4.26Å |
| 217 | L | 93.6 | Very high | 84.1 | Confident | 74 Ų | 74 | 89.3 Ų | 89.3 | 39% | 0.387 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 130.2 | 178.6 | -62.1 | 175.7 | 0 | 0 | 0 | 109.1 | I219 W234 S235 N237 | L217-I219 PolarHBondContact O-N 3.38Å; L217-W234 WeakPolarHBondContact O-CA 3.12Å; L217-S235 PolarHBondContact N-O 2.97Å; L217-S235 PolarHBondContact O-N 3.2Å; L217-N237 HydrophobicContact CD1-CB 3.99Å; L217-N237 HydrophobicContact CD2-CB 4.28Å; L217-N237 HydrophobicContact CG-CB 3.88Å |
| 218 | K | 94.2 | Very high | 82.6 | Confident | 112 Ų | 112 | 86.4 Ų | 86.4 | 49% | 0.487 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 106.2 | 170.8 | -174.4 | -161.3 | 176.1 | -150.7 | 0 | 108.4 | E220 C232 W234 | K218-E220 IonicContact NZ-OE1 3.71Å; K218-E220 PolarHBondContact NZ-OE1 3.2Å; K218-C232 HydrophobicContact CD-CB 4.35Å; K218-C232 HydrophobicContact CG-CB 3.74Å; K218-W234 HydrophobicContact CB-CE3 4.24Å; K218-W234 HydrophobicContact CB-CH2 3.98Å; K218-W234 HydrophobicContact CB-CZ2 4.32Å; K218-W234 HydrophobicContact CB-CZ3 3.92Å; K218-W234 HydrophobicContact CG-CH2 4.43Å; K218-W234 HydrophobicContact CG-CZ2 4.31Å |
| 219 | I | 90.8 | Very high | 81.1 | Confident | 60 Ų | 60 | 93 Ų | 93 | 31% | 0.308 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 123.1 | 170.3 | -57.9 | 176.7 | 0 | 0 | 0 | 108 | L217 C232 L233 | L217-I219 PolarHBondContact O-N 3.38Å; I219-C232 WeakPolarHBondContact O-CA 3.28Å; I219-L233 HydrophobicContact CB-CB 4.32Å; I219-L233 PolarHBondContact N-O 2.94Å; I219-L233 PolarHBondContact O-N 3.34Å |
| 220 | E | 88.5 | Confident | 79.6 | Confident | 121 Ų | 121 | 100.6 Ų | 100.6 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 126.8 | 171.9 | -51.6 | -150.5 | 142.9 | 0 | 0 | 109.2 | K218 P222 | K218-E220 IonicContact NZ-OE1 3.71Å; K218-E220 PolarHBondContact NZ-OE1 3.2Å; E220-P222 WeakPolarHBondContact O-CD 3.42Å |
| 221 | V | 82.1 | Confident | 78.6 | Confident | 47 Ų | 47 | 103 Ų | 103 | 29% | 0.285 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -84.5 | 121.3 | 177.9 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | T223 C231 L233 | V221-T223 PolarHBondContact O-N 3.01Å; V221-T223 PolarHBondContact O-OG1 3.28Å; V221-T223 VanDerWaalsContact O-OG1 3.09Å; V221-C231 WeakPolarHBondContact CB-O 3.47Å; V221-C231 WeakPolarHBondContact CG2-O 3.5Å; V221-C231 PolarHBondContact N-O 3.25Å; V221-L233 HydrophobicContact CG2-CD1 3.69Å; V221-L233 HydrophobicContact CG2-CG 3.72Å |
| 222 | P | 73 | Confident | 78.5 | Confident | 117 Ų | 117 | 100.2 Ų | 100.2 | 76% | 0.76 | 50% | 0.504 | S | S | * | . | trans | -55.6 | 113 | 171.7 | -23.5 | 34.4 | 0 | 0 | 0 | 109 | E220 | E220-P222 WeakPolarHBondContact O-CD 3.42Š| ||
| 223 | T | 66 | Low | 78.6 | Confident | 58 Ų | 58 | 96.7 Ų | 96.7 | 36% | 0.356 | 49% | 0.485 | S | S | . | . | trans | -96.2 | 103.4 | -176.2 | -55.7 | 0 | 0 | 0 | 0 | 107.8 | V221 Q225 | V221-T223 PolarHBondContact O-N 3.01Å; V221-T223 PolarHBondContact O-OG1 3.28Å; V221-T223 VanDerWaalsContact O-OG1 3.09Å; T223-Q225 HydrophobicContact CG2-CB 4.45Å; T223-Q225 WeakPolarHBondContact CG2-O 3.46Å; T223-Q225 PolarHBondContact O-N 3.01Å; T223-Q225 VanDerWaalsContact O-N 3.1Å | ||
| 224 | T | 67.8 | Low | 78.8 | Confident | 146 Ų | 146 | 96.3 Ų | 96.3 | 90% | 0.896 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -63.3 | -14.9 | -178.5 | -23.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 225 | Q | 64.9 | Low | 78.9 | Confident | 140 Ų | 140 | 89.2 Ų | 89.2 | 65% | 0.654 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -96.4 | 123 | 176.4 | -64.3 | -178.1 | 5 | 0 | 0 | 110.8 | T223 R227 G228 | T223-Q225 HydrophobicContact CG2-CB 4.45Å; T223-Q225 WeakPolarHBondContact CG2-O 3.46Å; T223-Q225 PolarHBondContact O-N 3.01Å; T223-Q225 VanDerWaalsContact O-N 3.1Å; Q225-R227 PolarHBondContact O-N 3.27Å; Q225-G228 PolarHBondContact O-N 3.12Å |
| 226 | P | 60.8 | Low | 79 | Confident | 139 Ų | 139 | 89.7 Ų | 89.7 | 90% | 0.903 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -9.6 | -176.9 | 25.8 | -34.6 | 0 | 0 | 0 | 114.7 | ||
| 227 | R | 58.3 | Low | 78.9 | Confident | 231 Ų | 231 | 90.5 Ų | 90.5 | 87% | 0.872 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.8 | 8.4 | 173.2 | -54.1 | -169.3 | -164.5 | -139.2 | 7.3 | 113.8 | Q225 | Q225-R227 PolarHBondContact O-N 3.27Š|
| 228 | G | 61 | Low | 78.9 | Confident | 22 Ų | 22 | 93.7 Ų | 93.7 | 23% | 0.227 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -67.6 | 137.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q225 K230 | Q225-G228 PolarHBondContact O-N 3.12Å; G228-K230 PolarHBondContact O-N 3.29Å |
| 229 | R | 61.8 | Low | 78.8 | Confident | 237 Ų | 237 | 97.6 Ų | 97.6 | 89% | 0.894 | 49% | 0.493 | S | S | * | . | trans | -57.7 | 124.8 | 173 | -75.5 | -173.4 | -72.7 | 177.7 | -7 | 109.3 | C231 | R229-C231 VanDerWaalsContact C-N 3.33Å; R229-C231 PolarHBondContact O-N 3.47Å | ||
| 230 | K | 64.4 | Low | 78.7 | Confident | 188 Ų | 188 | 97.9 Ų | 97.9 | 82% | 0.817 | 49% | 0.492 | S | S | * | . | trans | -58.3 | 91.9 | 173.7 | -67.6 | -173.2 | 179.7 | -173.6 | 0 | 110.2 | G228 | G228-K230 PolarHBondContact O-N 3.29Š| ||
| 231 | C | 72 | Confident | 78.9 | Confident | 52 Ų | 52 | 93.6 Ų | 93.6 | 35% | 0.351 | 47% | 0.473 | S | S | . | . | trans | -79.7 | 130 | 170 | 69.7 | 0 | 0 | 0 | 0 | 108.7 | V221 R229 | V221-C231 WeakPolarHBondContact CB-O 3.47Å; V221-C231 WeakPolarHBondContact CG2-O 3.5Å; V221-C231 PolarHBondContact N-O 3.25Å; R229-C231 VanDerWaalsContact C-N 3.33Å; R229-C231 PolarHBondContact O-N 3.47Å | ||
| 232 | C | 88.6 | Confident | 79.4 | Confident | 34 Ų | 34 | 95 Ų | 95 | 23% | 0.23 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 142.8 | 168.9 | 54.4 | 0 | 0 | 0 | 0 | 109.2 | K218 I219 | K218-C232 HydrophobicContact CD-CB 4.35Å; K218-C232 HydrophobicContact CG-CB 3.74Å; I219-C232 WeakPolarHBondContact O-CA 3.28Å |
| 233 | L | 92.9 | Very high | 80.3 | Confident | 25 Ų | 25 | 96.7 Ų | 96.7 | 13% | 0.131 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 144.2 | 167.6 | -64.4 | 170.6 | 0 | 0 | 0 | 107.4 | R165 R167 I219 V221 | R165-L233 HydrophobicContact CB-CB 4.33Å; R165-L233 HydrophobicContact CG-CD1 4.14Å; R167-L233 HydrophobicContact CG-CD2 3.58Å; I219-L233 HydrophobicContact CB-CB 4.32Å; I219-L233 PolarHBondContact N-O 2.94Å; I219-L233 PolarHBondContact O-N 3.34Å; V221-L233 HydrophobicContact CG2-CD1 3.69Å; V221-L233 HydrophobicContact CG2-CG 3.72Å |
| 234 | W | 95.1 | Very high | 81.5 | Confident | 30 Ų | 30 | 94.1 Ų | 94.1 | 11% | 0.114 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 133.6 | 170.7 | -67.8 | 88.1 | 0 | 0 | 0 | 108.1 | L158 R165 L166 I171 L210 F216 L217 K218 | L158-W234 WeakPolarHBondContact CD2-O 3.45Å; R165-W234 CarbonylContact C-O 3.57Å; R165-W234 WeakPolarHBondContact CA-O 3.44Å; R165-W234 WeakPolarHBondContact CB-O 3.34Å; L166-W234 PolarHBondContact N-O 3.16Å; L166-W234 PolarHBondContact O-N 3.04Å; I171-W234 HydrophobicContact CD1-CB 4.31Å; L210-W234 HydrophobicContact CB-CD2 4.13Å; L210-W234 HydrophobicContact CB-CE3 4.09Å; L210-W234 HydrophobicContact CB-CH2 3.88Å; L210-W234 HydrophobicContact CB-CZ2 3.94Å; L210-W234 HydrophobicContact CB-CZ3 3.97Å; L210-W234 HydrophobicContact CD1-CD2 4.29Å; L210-W234 HydrophobicContact CD1-CG 4.32Å; L210-W234 HydrophobicContact CD2-CB 4.2Å; L210-W234 HydrophobicContact CD2-CD2 3.85Å; L210-W234 HydrophobicContact CD2-CE3 3.99Å; L210-W234 HydrophobicContact CD2-CG 3.94Å; L210-W234 HydrophobicContact CG-CD2 4.32Å; L210-W234 WeakPolarHBondContact O-CH2 3.16Å; L210-W234 WeakPolarHBondContact O-CZ3 3.3Å; F216-W234 HydrophobicContact CB-CE3 3.95Å; F216-W234 HydrophobicContact CB-CZ3 4.31Å; L217-W234 WeakPolarHBondContact O-CA 3.12Å; K218-W234 HydrophobicContact CB-CE3 4.24Å; K218-W234 HydrophobicContact CB-CH2 3.98Å; K218-W234 HydrophobicContact CB-CZ2 4.32Å; K218-W234 HydrophobicContact CB-CZ3 3.92Å; K218-W234 HydrophobicContact CG-CH2 4.43Å; K218-W234 HydrophobicContact CG-CZ2 4.31Å |
| 235 | S | 94.3 | Very high | 82.6 | Confident | 17 Ų | 17 | 90.8 Ų | 90.8 | 12% | 0.119 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 165.8 | 171.1 | 74.7 | 0 | 0 | 0 | 0 | 110.5 | F216 L217 | F216-S235 WeakPolarHBondContact CA-O 3.35Å; L217-S235 PolarHBondContact N-O 2.97Å; L217-S235 PolarHBondContact O-N 3.2Å |
| 236 | L | 94.3 | Very high | 84 | Confident | 24 Ų | 24 | 89.1 Ų | 89.1 | 13% | 0.126 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 150.6 | 169.4 | -156.2 | 58.3 | 0 | 0 | 0 | 109.5 | A155 L158 F216 V241 I244 | A155-L236 HydrophobicContact CB-CD1 4.17Å; L158-L236 HydrophobicContact CD1-CB 4.44Å; L158-L236 HydrophobicContact CD1-CD1 4.45Å; F216-L236 HydrophobicContact CD1-CD1 3.97Å; F216-L236 HydrophobicContact CE1-CD1 3.76Å; L236-V241 HydrophobicContact CD2-CB 4.29Å; L236-V241 HydrophobicContact CD2-CG1 4.04Å; L236-V241 HydrophobicContact CD2-CG2 3.78Å; L236-V241 HydrophobicContact CG-CG2 3.95Å; L236-I244 HydrophobicContact CD1-CD1 3.77Å |
| 237 | N | 93.5 | Very high | 85.4 | Confident | 27 Ų | 27 | 85.2 Ų | 85.2 | 14% | 0.144 | 40% | 0.404 | C | S | . | . | trans | -93 | 111.5 | 174.8 | -174.9 | -22.1 | 0 | 0 | 0 | 109.3 | K214 S215 L217 K239 K240 V241 | K214-N237 PolarHBondContact O-ND2 2.95Å; S215-N237 VanDerWaalsContact O-CB 3.24Å; S215-N237 WeakPolarHBondContact O-CB 3.07Å; S215-N237 PolarHBondContact O-N 3.48Å; L217-N237 HydrophobicContact CD1-CB 3.99Å; L217-N237 HydrophobicContact CD2-CB 4.28Å; L217-N237 HydrophobicContact CG-CB 3.88Å; N237-K239 PolarHBondContact O-N 3.38Å; N237-K239 PolarHBondContact OD1-N 3.15Å; N237-K240 HydrophobicContact CB-CB 4.47Å; N237-K240 CarbonylContact O-C 3.5Å; N237-K240 WeakPolarHBondContact O-CA 3.41Å; N237-K240 PolarHBondContact O-N 2.91Å; N237-V241 PolarHBondContact O-N 3.13Å | ||
| 238 | D | 92.1 | Very high | 87 | Confident | 140 Ų | 140 | 74.7 Ų | 74.7 | 75% | 0.749 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -46.1 | -41 | -178 | -54.5 | -26.5 | 0 | 0 | 0 | 113.1 | K240 | D238-K240 PolarHBondContact O-N 2.9Š|
| 239 | K | 91.8 | Very high | 88.5 | Confident | 195 Ų | 195 | 77.4 Ų | 77.4 | 85% | 0.848 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -67.7 | -6.6 | -179.8 | -59 | -174.7 | 179.6 | -176.4 | 0 | 114.4 | N237 | N237-K239 PolarHBondContact O-N 3.38Å; N237-K239 PolarHBondContact OD1-N 3.15Å |
| 240 | K | 90.3 | Very high | 89.9 | Confident | 66 Ų | 66 | 73.2 Ų | 73.2 | 29% | 0.287 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -134.6 | 1.5 | -173.9 | -64 | -173.9 | -176.4 | 172 | 0 | 114.3 | K214 N237 D238 S242 K243 I244 | K214-K240 WeakPolarHBondContact O-CD 3.44Å; K214-K240 PolarHBondContact O-NZ 3.13Å; K214-K240 VanDerWaalsContact O-NZ 3.15Å; N237-K240 HydrophobicContact CB-CB 4.47Å; N237-K240 CarbonylContact O-C 3.5Å; N237-K240 WeakPolarHBondContact O-CA 3.41Å; N237-K240 PolarHBondContact O-N 2.91Å; D238-K240 PolarHBondContact O-N 2.9Å; K240-S242 VanDerWaalsContact C-N 3.32Å; K240-S242 PolarHBondContact O-N 2.81Å; K240-K243 PolarHBondContact O-N 3.31Å; K240-K243 VanDerWaalsContact O-N 3.13Å; K240-I244 PolarHBondContact O-N 3.35Å |
| 241 | V | 91.4 | Very high | 91 | Very high | 30 Ų | 30 | 65.4 Ų | 65.4 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -51.1 | -54.5 | 174.5 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | L236 N237 K243 I244 E245 | L236-V241 HydrophobicContact CD2-CB 4.29Å; L236-V241 HydrophobicContact CD2-CG1 4.04Å; L236-V241 HydrophobicContact CD2-CG2 3.78Å; L236-V241 HydrophobicContact CG-CG2 3.95Å; N237-V241 PolarHBondContact O-N 3.13Å; V241-K243 PolarHBondContact O-N 3.48Å; V241-K243 VanDerWaalsContact O-N 3.12Å; V241-I244 PolarHBondContact O-N 3.41Å; V241-E245 HydrophobicContact CG1-CG 4.09Å; V241-E245 WeakPolarHBondContact O-CG 3.39Å; V241-E245 PolarHBondContact O-N 3.35Å |
| 242 | S | 92.3 | Very high | 91.8 | Very high | 76 Ų | 76 | 66.6 Ų | 66.6 | 53% | 0.531 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.4 | -32.2 | -178.9 | -40 | 0 | 0 | 0 | 0 | 113.6 | K240 L246 | K240-S242 VanDerWaalsContact C-N 3.32Å; K240-S242 PolarHBondContact O-N 2.81Å; S242-L246 WeakPolarHBondContact O-CB 3.4Å; S242-L246 WeakPolarHBondContact O-CG 3.44Å; S242-L246 PolarHBondContact O-N 2.69Å |
| 243 | K | 91.9 | Very high | 91.8 | Very high | 153 Ų | 153 | 71.6 Ų | 71.6 | 67% | 0.665 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.8 | -42.1 | 175.8 | -179.6 | 177.6 | 176.4 | -179.7 | 0 | 111.3 | K240 V241 E247 | K240-K243 PolarHBondContact O-N 3.31Å; K240-K243 VanDerWaalsContact O-N 3.13Å; V241-K243 PolarHBondContact O-N 3.48Å; V241-K243 VanDerWaalsContact O-N 3.12Å; K243-E247 PolarHBondContact O-N 2.92Å |
| 244 | I | 91.8 | Very high | 91.6 | Very high | 5 Ų | 5 | 77.8 Ų | 77.8 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -75.4 | -35.7 | 179.4 | -64 | 167 | 0 | 0 | 0 | 110.7 | A155 S215 F216 L236 K240 V241 L246 E247 I248 | A155-I244 HydrophobicContact CB-CB 4.46Å; A155-I244 HydrophobicContact CB-CD1 4.33Å; A155-I244 HydrophobicContact CB-CG2 3.46Å; A155-I244 VanDerWaalsContact CB-CG2 3.46Å; S215-I244 VanDerWaalsContact CB-CD1 3.4Å; F216-I244 HydrophobicContact CE1-CD1 4.22Å; F216-I244 HydrophobicContact CZ-CD1 4.26Å; L236-I244 HydrophobicContact CD1-CD1 3.77Å; K240-I244 PolarHBondContact O-N 3.35Å; V241-I244 PolarHBondContact O-N 3.41Å; I244-L246 VanDerWaalsContact C-N 3.32Å; I244-L246 PolarHBondContact O-N 2.84Å; I244-E247 CarbonylContact O-C 3.59Å; I244-E247 WeakPolarHBondContact O-CA 3.49Å; I244-E247 VanDerWaalsContact O-CB 3.3Å; I244-E247 WeakPolarHBondContact O-CB 3.24Å; I244-E247 PolarHBondContact O-N 3.48Å; I244-I248 HydrophobicContact CG2-CD1 3.93Å; I244-I248 HydrophobicContact CG2-CG1 4.27Å; I244-I248 WeakPolarHBondContact O-CG1 3.45Å; I244-I248 PolarHBondContact O-N 3.21Å |
| 245 | E | 92.1 | Very high | 91.1 | Very high | 75 Ų | 75 | 79 Ų | 79 | 35% | 0.35 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 175 | -67.6 | -177 | 140.6 | 0 | 0 | 111.8 | K159 V241 E247 I248 Q249 | K159-E245 IonicContact NZ-OE1 2.81Å; K159-E245 PolarHBondContact NZ-OE1 3.01Å; V241-E245 HydrophobicContact CG1-CG 4.09Å; V241-E245 WeakPolarHBondContact O-CG 3.39Å; V241-E245 PolarHBondContact O-N 3.35Å; E245-E247 VanDerWaalsContact C-N 3.25Å; E245-E247 PolarHBondContact O-N 3.01Å; E245-I248 PolarHBondContact O-N 2.78Å; E245-Q249 WeakPolarHBondContact O-CB 3.3Å; E245-Q249 PolarHBondContact O-N 3.02Å |
| 246 | L | 92.7 | Very high | 90.6 | Very high | 106 Ų | 106 | 79.7 Ų | 79.7 | 56% | 0.555 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67.2 | -20.9 | 169.2 | -70.2 | 170.8 | 0 | 0 | 0 | 113.6 | S242 I244 R250 | S242-L246 WeakPolarHBondContact O-CB 3.4Å; S242-L246 WeakPolarHBondContact O-CG 3.44Å; S242-L246 PolarHBondContact O-N 2.69Å; I244-L246 VanDerWaalsContact C-N 3.32Å; I244-L246 PolarHBondContact O-N 2.84Å; L246-R250 WeakPolarHBondContact O-CB 3.31Å; L246-R250 PolarHBondContact O-N 3.01Å; L246-R250 PolarHBondContact O-NH1 2.72Å |
| 247 | E | 91.6 | Very high | 90.1 | Very high | 56 Ų | 56 | 84.1 Ų | 84.1 | 26% | 0.262 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -76.8 | -48.4 | 171.3 | -164.7 | -177.3 | 143.8 | 0 | 0 | 110.3 | S149 C152 K243 I244 E245 R250 V251 | S149-E247 VanDerWaalsContact CB-OE1 3.3Å; S149-E247 WeakPolarHBondContact CB-OE1 3.44Å; S149-E247 PolarHBondContact OG-OE1 2.85Å; C152-E247 PolarHBondContact SG-OE1 3.42Å; K243-E247 PolarHBondContact O-N 2.92Å; I244-E247 CarbonylContact O-C 3.59Å; I244-E247 WeakPolarHBondContact O-CA 3.49Å; I244-E247 VanDerWaalsContact O-CB 3.3Å; I244-E247 WeakPolarHBondContact O-CB 3.24Å; I244-E247 PolarHBondContact O-N 3.48Å; E245-E247 VanDerWaalsContact C-N 3.25Å; E245-E247 PolarHBondContact O-N 3.01Å; E247-R250 PolarHBondContact O-N 2.81Å; E247-V251 WeakPolarHBondContact O-CG2 3.1Å; E247-V251 PolarHBondContact O-N 3Å |
| 248 | I | 91.5 | Very high | 89.6 | Confident | 10 Ų | 10 | 85 Ų | 85 | 5% | 0.051 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -56.2 | -52.3 | 175.6 | -67 | 164.7 | 0 | 0 | 0 | 110.3 | Y148 C152 L156 I244 E245 R250 V251 R252 E273 | Y148-I248 HydrophobicContact CE1-CG2 4.06Å; C152-I248 HydrophobicContact CB-CG1 3.91Å; L156-I248 HydrophobicContact CD2-CD1 3.9Å; L156-I248 HydrophobicContact CD2-CG2 4.47Å; L156-I248 HydrophobicContact CG-CD1 3.98Å; I244-I248 HydrophobicContact CG2-CD1 3.93Å; I244-I248 HydrophobicContact CG2-CG1 4.27Å; I244-I248 WeakPolarHBondContact O-CG1 3.45Å; I244-I248 PolarHBondContact O-N 3.21Å; E245-I248 PolarHBondContact O-N 2.78Å; I248-R250 PolarHBondContact O-N 3.17Å; I248-V251 PolarHBondContact O-N 2.89Å; I248-V251 VanDerWaalsContact O-N 3.15Å; I248-R252 PolarHBondContact O-N 2.9Å; I248-E273 HydrophobicContact CG2-CG 4.2Å; I248-E273 WeakPolarHBondContact CG2-OE1 3.21Å |
| 249 | Q | 91.8 | Very high | 89.2 | Confident | 79 Ų | 79 | 78.3 Ų | 78.3 | 37% | 0.369 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.2 | -41.4 | -180 | -178.5 | 61.6 | 21.1 | 0 | 0 | 112.5 | E245 V251 R252 E253 | E245-Q249 WeakPolarHBondContact O-CB 3.3Å; E245-Q249 PolarHBondContact O-N 3.02Å; Q249-V251 VanDerWaalsContact C-N 3.34Å; Q249-V251 PolarHBondContact O-N 3.12Å; Q249-R252 WeakPolarHBondContact O-CB 3.26Å; Q249-R252 PolarHBondContact O-N 2.91Å; Q249-E253 WeakPolarHBondContact CG-OE1 3.49Å; Q249-E253 PolarHBondContact NE2-OE1 2.71Å; Q249-E253 WeakPolarHBondContact O-CG 3.48Å; Q249-E253 PolarHBondContact O-N 3.05Å |
| 250 | R | 91.4 | Very high | 88.9 | Confident | 149 Ų | 149 | 72.1 Ų | 72.1 | 56% | 0.562 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.9 | -36.5 | 176.9 | -174.7 | -173.3 | -63.8 | 87.3 | 8.2 | 112.4 | L246 E247 I248 K254 | L246-R250 WeakPolarHBondContact O-CB 3.31Å; L246-R250 PolarHBondContact O-N 3.01Å; L246-R250 PolarHBondContact O-NH1 2.72Å; E247-R250 PolarHBondContact O-N 2.81Å; I248-R250 PolarHBondContact O-N 3.17Å; R250-K254 WeakPolarHBondContact O-CB 3.26Å; R250-K254 PolarHBondContact O-N 2.99Å |
| 251 | V | 88.7 | Confident | 88.4 | Confident | 25 Ų | 25 | 73.2 Ų | 73.2 | 15% | 0.152 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.4 | -39.9 | 174.9 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | P147 Y148 E247 I248 Q249 K254 D255 I259 | P147-V251 HydrophobicContact CB-CG1 4.1Å; P147-V251 HydrophobicContact CG-CG1 4.47Å; Y148-V251 HydrophobicContact CD1-CB 4.18Å; Y148-V251 HydrophobicContact CD1-CG1 3.93Å; Y148-V251 HydrophobicContact CE1-CB 4.29Å; Y148-V251 HydrophobicContact CE1-CG1 4.23Å; E247-V251 WeakPolarHBondContact O-CG2 3.1Å; E247-V251 PolarHBondContact O-N 3Å; I248-V251 PolarHBondContact O-N 2.89Å; I248-V251 VanDerWaalsContact O-N 3.15Å; Q249-V251 VanDerWaalsContact C-N 3.34Å; Q249-V251 PolarHBondContact O-N 3.12Å; V251-K254 PolarHBondContact O-N 2.91Å; V251-D255 PolarHBondContact O-N 3.34Å; V251-I259 HydrophobicContact CG1-CD1 4.17Å; V251-I259 HydrophobicContact CG1-CG1 4.45Å |
| 252 | R | 87.6 | Confident | 87.8 | Confident | 76 Ų | 76 | 72.1 Ų | 72.1 | 29% | 0.287 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 175.1 | -168.4 | -171.3 | -168.4 | -84 | 1.7 | 112.9 | I248 Q249 K254 S256 I259 D270 E273 | I248-R252 PolarHBondContact O-N 2.9Å; Q249-R252 WeakPolarHBondContact O-CB 3.26Å; Q249-R252 PolarHBondContact O-N 2.91Å; R252-K254 VanDerWaalsContact C-N 3.32Å; R252-K254 PolarHBondContact O-N 3.38Å; R252-S256 WeakPolarHBondContact O-CB 3.07Å; R252-S256 PolarHBondContact O-N 2.81Å; R252-I259 HydrophobicContact CB-CD1 4.27Å; R252-D270 IonicContact CZ-OD1 2.73Å; R252-D270 IonicContact NH2-OD1 3.97Å; R252-D270 PolarHBondContact NH2-OD1 2.85Å; R252-E273 WeakPolarHBondContact CD-OE2 3.35Å; R252-E273 IonicContact CZ-OE2 2.68Å; R252-E273 IonicContact NE-OE2 3.93Å; R252-E273 PolarHBondContact NE-OE2 3.3Å |
| 253 | E | 88.5 | Confident | 87.4 | Confident | 140 Ų | 140 | 68.6 Ų | 68.6 | 65% | 0.654 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -66.4 | -32.8 | 177.7 | -74.3 | 166.7 | -174.9 | 0 | 0 | 113 | Q249 | Q249-E253 WeakPolarHBondContact CG-OE1 3.49Å; Q249-E253 PolarHBondContact NE2-OE1 2.71Å; Q249-E253 WeakPolarHBondContact O-CG 3.48Å; Q249-E253 PolarHBondContact O-N 3.05Å |
| 254 | K | 88.1 | Confident | 86.8 | Confident | 155 Ų | 155 | 62.4 Ų | 62.4 | 67% | 0.674 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -83.5 | -47 | -177.6 | -172.2 | 178.2 | 165.2 | -89.3 | 0 | 113.4 | R250 V251 R252 | R250-K254 WeakPolarHBondContact O-CB 3.26Å; R250-K254 PolarHBondContact O-N 2.99Å; V251-K254 PolarHBondContact O-N 2.91Å; R252-K254 VanDerWaalsContact C-N 3.32Å; R252-K254 PolarHBondContact O-N 3.38Å |
| 255 | D | 85.1 | Confident | 86.2 | Confident | 54 Ų | 54 | 66.3 Ų | 66.3 | 29% | 0.289 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -133.2 | 37.3 | -162.7 | -61.1 | -56.9 | 0 | 0 | 0 | 112.4 | P147 V251 E257 A258 I259 | P147-D255 HydrophobicContact CB-CB 4.11Å; P147-D255 HydrophobicContact CG-CB 4.41Å; V251-D255 PolarHBondContact O-N 3.34Å; D255-E257 PolarHBondContact O-N 3.04Å; D255-A258 HydrophobicContact CB-CB 4.37Å; D255-A258 PolarHBondContact O-N 3.28Å; D255-A258 VanDerWaalsContact O-N 3.13Å; D255-I259 PolarHBondContact O-N 2.82Å |
| 256 | S | 84.9 | Confident | 85.7 | Confident | 33 Ų | 33 | 65.9 Ų | 65.9 | 23% | 0.231 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -49.3 | -45.7 | -175.3 | -170.2 | 0 | 0 | 0 | 0 | 115.1 | R252 I259 K260 | R252-S256 WeakPolarHBondContact O-CB 3.07Å; R252-S256 PolarHBondContact O-N 2.81Å; S256-I259 WeakPolarHBondContact O-CB 3.37Å; S256-I259 PolarHBondContact O-N 3.33Å; S256-K260 WeakPolarHBondContact O-CG 3.17Å; S256-K260 PolarHBondContact O-N 3.33Å; S256-K260 VanDerWaalsContact O-N 3.15Å |
| 257 | E | 82.4 | Confident | 85.2 | Confident | 116 Ų | 116 | 63.9 Ų | 63.9 | 54% | 0.542 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -70.1 | -40.3 | -179.5 | -60.8 | -49.7 | 125.9 | 0 | 0 | 111.8 | D255 I259 K260 D261 | D255-E257 PolarHBondContact O-N 3.04Å; E257-I259 PolarHBondContact O-N 3.04Å; E257-K260 WeakPolarHBondContact O-CB 3.35Å; E257-K260 PolarHBondContact O-N 2.74Å; E257-K260 VanDerWaalsContact O-N 3.1Å; E257-K260 IonicContact OE1-NZ 3.04Å; E257-K260 PolarHBondContact OE1-NZ 3.01Å; E257-K260 WeakPolarHBondContact OE2-CD 3.32Å; E257-K260 IonicContact OE2-NZ 3.93Å; E257-K260 PolarHBondContact OE2-NZ 3.37Å; E257-D261 PolarHBondContact O-N 3Å |
| 258 | A | 83.5 | Confident | 84.9 | Confident | 46 Ų | 46 | 62 Ų | 62 | 38% | 0.38 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.5 | -28.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P147 D255 S262 | P147-A258 HydrophobicContact CG-CB 4.09Å; D255-A258 HydrophobicContact CB-CB 4.37Å; D255-A258 PolarHBondContact O-N 3.28Å; D255-A258 VanDerWaalsContact O-N 3.13Å; A258-S262 WeakPolarHBondContact O-CB 2.98Å; A258-S262 PolarHBondContact O-N 2.77Å; A258-S262 VanDerWaalsContact O-N 3.16Å; A258-S262 PolarHBondContact O-OG 3.24Å |
| 259 | I | 84.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65 | -53.2 | 169.3 | -65.9 | 164 | 0 | 0 | 0 | 110.3 | P147 Y148 V251 R252 D255 S256 E257 D261 S262 L263 L269 | P147-I259 HydrophobicContact CG-CB 4.34Å; P147-I259 HydrophobicContact CG-CG1 3.51Å; Y148-I259 HydrophobicContact CD2-CG2 4.39Å; Y148-I259 HydrophobicContact CE1-CD1 4.15Å; Y148-I259 HydrophobicContact CE2-CB 4.39Å; Y148-I259 HydrophobicContact CE2-CD1 4.32Å; Y148-I259 HydrophobicContact CE2-CG1 4.06Å; Y148-I259 HydrophobicContact CE2-CG2 3.47Å; Y148-I259 VanDerWaalsContact CE2-CG2 3.47Å; V251-I259 HydrophobicContact CG1-CD1 4.17Å; V251-I259 HydrophobicContact CG1-CG1 4.45Å; R252-I259 HydrophobicContact CB-CD1 4.27Å; D255-I259 PolarHBondContact O-N 2.82Å; S256-I259 WeakPolarHBondContact O-CB 3.37Å; S256-I259 PolarHBondContact O-N 3.33Å; E257-I259 PolarHBondContact O-N 3.04Å; I259-D261 PolarHBondContact O-N 2.81Å; I259-S262 WeakPolarHBondContact O-CB 3.33Å; I259-S262 PolarHBondContact O-N 3.16Å; I259-L263 HydrophobicContact CG2-CD1 4.27Å; I259-L263 PolarHBondContact O-N 2.99Å; I259-L263 VanDerWaalsContact O-N 3.16Å; I259-L269 HydrophobicContact CG2-CD1 3.56Å; I259-L269 HydrophobicContact CG2-CD2 4Å; I259-L269 HydrophobicContact CG2-CG 4.42Å |
| 260 | K | 84.4 | Confident | 84.5 | Confident | 65 Ų | 65 | 61.7 Ų | 61.7 | 28% | 0.283 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.9 | -38.3 | 179.2 | -67.5 | 170.5 | -170.3 | 169.5 | 0 | 111.6 | R182 S256 E257 S262 L263 P266 L269 | R182-K260 PolarHBondContact NH1-O 2.93Å; S256-K260 WeakPolarHBondContact O-CG 3.17Å; S256-K260 PolarHBondContact O-N 3.33Å; S256-K260 VanDerWaalsContact O-N 3.15Å; E257-K260 WeakPolarHBondContact O-CB 3.35Å; E257-K260 PolarHBondContact O-N 2.74Å; E257-K260 VanDerWaalsContact O-N 3.1Å; E257-K260 IonicContact OE1-NZ 3.04Å; E257-K260 PolarHBondContact OE1-NZ 3.01Å; E257-K260 WeakPolarHBondContact OE2-CD 3.32Å; E257-K260 IonicContact OE2-NZ 3.93Å; E257-K260 PolarHBondContact OE2-NZ 3.37Å; K260-S262 VanDerWaalsContact C-N 3.29Å; K260-S262 PolarHBondContact O-N 3.44Å; K260-L263 PolarHBondContact O-N 3Å; K260-P266 HydrophobicContact CB-CB 3.87Å; K260-P266 HydrophobicContact CG-CB 4.39Å; K260-L269 HydrophobicContact CG-CD2 3.95Å |
| 261 | D | 79.5 | Confident | 84.4 | Confident | 89 Ų | 89 | 58 Ų | 58 | 48% | 0.476 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.5 | -27 | 176.3 | -81.3 | -33.1 | 0 | 0 | 0 | 114.2 | R182 E257 I259 | R182-D261 VanDerWaalsContact CD-O 3.3Å; R182-D261 WeakPolarHBondContact CD-O 3.01Å; R182-D261 VanDerWaalsContact CZ-O 3.26Å; R182-D261 IonicContact CZ-OD1 3.99Å; R182-D261 PolarHBondContact NE-O 2.91Å; R182-D261 PolarHBondContact NH1-O 3.01Å; R182-D261 IonicContact NH1-OD1 3.39Å; R182-D261 PolarHBondContact NH1-OD1 2.91Å; R182-D261 IonicContact NH2-OD1 2.69Å; R182-D261 PolarHBondContact NH2-OD1 3.09Å; E257-D261 PolarHBondContact O-N 3Å; I259-D261 PolarHBondContact O-N 2.81Å |
| 262 | S | 80.2 | Confident | 84.4 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 5% | 0.049 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -81.9 | -17.4 | 174.7 | -56.6 | 0 | 0 | 0 | 0 | 113.3 | P146 F179 A258 I259 K260 | P146-S262 WeakPolarHBondContact CA-OG 3.3Å; F179-S262 CarbonylContact C-O 3.46Å; A258-S262 WeakPolarHBondContact O-CB 2.98Å; A258-S262 PolarHBondContact O-N 2.77Å; A258-S262 VanDerWaalsContact O-N 3.16Å; A258-S262 PolarHBondContact O-OG 3.24Å; I259-S262 WeakPolarHBondContact O-CB 3.33Å; I259-S262 PolarHBondContact O-N 3.16Å; K260-S262 VanDerWaalsContact C-N 3.29Å; K260-S262 PolarHBondContact O-N 3.44Å |
| 263 | L | 82.7 | Confident | 84.5 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -82.1 | 142.1 | -176.8 | -77.2 | 173.9 | 0 | 0 | 0 | 112.8 | F178 F179 R182 I259 K260 N265 L269 I272 | F178-L263 HydrophobicContact CB-CD2 4.47Å; F178-L263 CarbonylContact O-C 3.44Å; F178-L263 WeakPolarHBondContact O-CA 3.49Å; F178-L263 WeakPolarHBondContact O-CD2 3.33Å; F179-L263 HydrophobicContact CD1-CD2 3.71Å; F179-L263 HydrophobicContact CE1-CD2 3.55Å; F179-L263 HydrophobicContact CE1-CG 4.45Å; F179-L263 HydrophobicContact CZ-CD2 4.42Å; R182-L263 WeakPolarHBondContact CB-O 3.4Å; R182-L263 VanDerWaalsContact CD-O 3.24Å; R182-L263 WeakPolarHBondContact CD-O 3.42Å; I259-L263 HydrophobicContact CG2-CD1 4.27Å; I259-L263 PolarHBondContact O-N 2.99Å; I259-L263 VanDerWaalsContact O-N 3.16Å; K260-L263 PolarHBondContact O-N 3Å; L263-N265 VanDerWaalsContact C-N 3.26Å; L263-N265 PolarHBondContact O-N 3.09Å; L263-L269 HydrophobicContact CD1-CB 3.63Å; L263-L269 HydrophobicContact CD1-CD1 3.92Å; L263-L269 HydrophobicContact CD1-CG 4.27Å; L263-I272 HydrophobicContact CD2-CD1 3.87Å |
| 264 | A | 79.5 | Confident | 84.4 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 19% | 0.19 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -53.8 | -43.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | C177 F178 D181 | C177-A264 VanDerWaalsContact O-CB 3.26Å; C177-A264 WeakPolarHBondContact O-CB 3.46Å; F178-A264 PolarHBondContact O-N 3.5Å; D181-A264 HydrophobicContact CB-CB 4.16Å |
| 265 | N | 80.3 | Confident | 84.4 | Confident | 88 Ų | 88 | 46.8 Ų | 46.8 | 47% | 0.471 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -129 | 117 | 169.4 | -55.2 | -46.8 | 0 | 0 | 0 | 108.2 | L263 G267 D268 | L263-N265 VanDerWaalsContact C-N 3.26Å; L263-N265 PolarHBondContact O-N 3.09Å; N265-G267 PolarHBondContact O-N 2.89Å; N265-D268 HydrophobicContact CB-CB 4.24Å; N265-D268 WeakPolarHBondContact CB-OD2 3.24Å; N265-D268 PolarHBondContact ND2-OD2 3.44Å; N265-D268 PolarHBondContact O-N 3.06Å; N265-D268 VanDerWaalsContact O-N 3.14Å |
| 266 | P | 80.9 | Confident | 84.6 | Confident | 65 Ų | 65 | 50 Ų | 50 | 42% | 0.422 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -64.5 | -28.3 | -178.1 | 23.9 | -33.6 | 0 | 0 | 0 | 113.2 | K260 D268 L269 | K260-P266 HydrophobicContact CB-CB 3.87Å; K260-P266 HydrophobicContact CG-CB 4.39Å; P266-D268 VanDerWaalsContact C-N 3.25Å; P266-D268 PolarHBondContact O-N 3.31Å; P266-L269 PolarHBondContact O-N 3.06Å |
| 267 | G | 82.7 | Confident | 84.7 | Confident | 65 Ų | 65 | 52.1 Ų | 52.1 | 67% | 0.67 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -73.2 | -9.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | N265 L269 | N265-G267 PolarHBondContact O-N 2.89Å; G267-L269 VanDerWaalsContact C-N 3.34Å |
| 268 | D | 84.7 | Confident | 85 | Confident | 17 Ų | 17 | 47.6 Ų | 47.6 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -85.6 | -5 | 176.4 | -76.3 | -32.8 | 0 | 0 | 0 | 113 | N265 P266 D270 L271 I272 K277 | N265-D268 HydrophobicContact CB-CB 4.24Å; N265-D268 WeakPolarHBondContact CB-OD2 3.24Å; N265-D268 PolarHBondContact ND2-OD2 3.44Å; N265-D268 PolarHBondContact O-N 3.06Å; N265-D268 VanDerWaalsContact O-N 3.14Å; P266-D268 VanDerWaalsContact C-N 3.25Å; P266-D268 PolarHBondContact O-N 3.31Å; D268-D270 PolarHBondContact O-N 2.88Å; D268-L271 PolarHBondContact O-N 3.41Å; D268-I272 HydrophobicContact CB-CD1 3.9Å; D268-I272 HydrophobicContact CB-CG1 4.42Å; D268-I272 VanDerWaalsContact O-CG1 3.28Å; D268-I272 WeakPolarHBondContact O-CG1 3.19Å; D268-I272 PolarHBondContact O-N 3.47Å; D268-K277 HydrophobicContact CB-CD 4.3Å; D268-K277 WeakPolarHBondContact OD1-CE 3.4Å; D268-K277 IonicContact OD1-NZ 2.83Å; D268-K277 PolarHBondContact OD1-NZ 2.82Å; D268-K277 WeakPolarHBondContact OD2-CE 3.25Å; D268-K277 IonicContact OD2-NZ 3.12Å; D268-K277 PolarHBondContact OD2-NZ 3.48Å |
| 269 | L | 86.2 | Confident | 85.2 | Confident | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -53 | -57 | -173.9 | 175.5 | 53.1 | 0 | 0 | 0 | 113 | Y148 I259 K260 L263 P266 G267 L271 I272 E273 | Y148-L269 WeakPolarHBondContact OH-CD1 3.33Å; I259-L269 HydrophobicContact CG2-CD1 3.56Å; I259-L269 HydrophobicContact CG2-CD2 4Å; I259-L269 HydrophobicContact CG2-CG 4.42Å; K260-L269 HydrophobicContact CG-CD2 3.95Å; L263-L269 HydrophobicContact CD1-CB 3.63Å; L263-L269 HydrophobicContact CD1-CD1 3.92Å; L263-L269 HydrophobicContact CD1-CG 4.27Å; P266-L269 PolarHBondContact O-N 3.06Å; G267-L269 VanDerWaalsContact C-N 3.34Å; L269-L271 VanDerWaalsContact C-N 3.28Å; L269-L271 PolarHBondContact O-N 3.26Å; L269-I272 PolarHBondContact O-N 2.84Å; L269-I272 VanDerWaalsContact O-N 3.1Å; L269-E273 HydrophobicContact CD1-CG 3.97Å; L269-E273 PolarHBondContact O-N 2.92Å |
| 270 | D | 88.3 | Confident | 85.1 | Confident | 76 Ų | 76 | 49.2 Ų | 49.2 | 41% | 0.406 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.3 | -34.6 | -176.9 | -62.7 | -51.1 | 0 | 0 | 0 | 111.8 | R252 D268 Q274 | R252-D270 IonicContact CZ-OD1 2.73Å; R252-D270 IonicContact NH2-OD1 3.97Å; R252-D270 PolarHBondContact NH2-OD1 2.85Å; D268-D270 PolarHBondContact O-N 2.88Å; D270-Q274 VanDerWaalsContact O-CB 3.28Å; D270-Q274 WeakPolarHBondContact O-CB 3.38Å; D270-Q274 WeakPolarHBondContact O-CG 3.48Å; D270-Q274 PolarHBondContact O-N 2.92Å |
| 271 | L | 88.7 | Confident | 84.5 | Confident | 70 Ų | 70 | 57.9 Ų | 57.9 | 37% | 0.366 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.7 | -37.4 | 174.9 | -62.5 | 175.7 | 0 | 0 | 0 | 111.9 | D268 L269 G275 L276 K277 | D268-L271 PolarHBondContact O-N 3.41Å; L269-L271 VanDerWaalsContact C-N 3.28Å; L269-L271 PolarHBondContact O-N 3.26Å; L271-G275 PolarHBondContact O-N 3.08Å; L271-L276 HydrophobicContact CD2-CB 4.3Å; L271-L276 PolarHBondContact O-N 2.9Å; L271-K277 HydrophobicContact CB-CB 4Å; L271-K277 HydrophobicContact CB-CD 4.46Å; L271-K277 HydrophobicContact CD1-CD 4.4Å; L271-K277 PolarHBondContact O-N 3.36Å; L271-K277 VanDerWaalsContact O-N 3.12Å |
| 272 | I | 89.2 | Confident | 83.7 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.4 | -44.4 | 177.6 | -70.5 | 163.1 | 0 | 0 | 0 | 110.6 | L156 N160 F174 F178 L263 D268 L269 Q274 G275 K277 | L156-I272 HydrophobicContact CB-CG2 4.31Å; L156-I272 HydrophobicContact CD1-CG2 4.39Å; L156-I272 HydrophobicContact CD2-CG2 4.28Å; N160-I272 PolarHBondContact ND2-O 3.39Å; F174-I272 HydrophobicContact CZ-CG2 4.12Å; F178-I272 HydrophobicContact CB-CD1 4.33Å; F178-I272 HydrophobicContact CD1-CD1 3.59Å; F178-I272 HydrophobicContact CD1-CG1 4.35Å; F178-I272 HydrophobicContact CE1-CD1 4.05Å; F178-I272 HydrophobicContact CE1-CG1 4.43Å; F178-I272 HydrophobicContact CG-CD1 4Å; L263-I272 HydrophobicContact CD2-CD1 3.87Å; D268-I272 HydrophobicContact CB-CD1 3.9Å; D268-I272 HydrophobicContact CB-CG1 4.42Å; D268-I272 VanDerWaalsContact O-CG1 3.28Å; D268-I272 WeakPolarHBondContact O-CG1 3.19Å; D268-I272 PolarHBondContact O-N 3.47Å; L269-I272 PolarHBondContact O-N 2.84Å; L269-I272 VanDerWaalsContact O-N 3.1Å; I272-Q274 PolarHBondContact O-N 3.19Å; I272-G275 PolarHBondContact O-N 3.17Å; I272-K277 HydrophobicContact CG1-CB 3.78Å; I272-K277 HydrophobicContact CG1-CG 3.91Å |
| 273 | E | 89.3 | Confident | 82 | Confident | 21 Ų | 21 | 61.3 Ų | 61.3 | 10% | 0.098 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.4 | -34.9 | 179.5 | -69.6 | -173.6 | 138 | 0 | 0 | 112.7 | Y148 L156 K159 I248 R252 L269 G275 | Y148-E273 PolarHBondContact OH-OE1 3.19Å; L156-E273 HydrophobicContact CD2-CG 4.23Å; K159-E273 WeakPolarHBondContact CE-O 3.4Å; K159-E273 PolarHBondContact NZ-O 3.06Å; K159-E273 VanDerWaalsContact NZ-O 3.07Å; I248-E273 HydrophobicContact CG2-CG 4.2Å; I248-E273 WeakPolarHBondContact CG2-OE1 3.21Å; R252-E273 WeakPolarHBondContact CD-OE2 3.35Å; R252-E273 IonicContact CZ-OE2 2.68Å; R252-E273 IonicContact NE-OE2 3.93Å; R252-E273 PolarHBondContact NE-OE2 3.3Å; L269-E273 HydrophobicContact CD1-CG 3.97Å; L269-E273 PolarHBondContact O-N 2.92Å; E273-G275 VanDerWaalsContact C-N 3.31Å |
| 274 | Q | 88.3 | Confident | 80.2 | Confident | 122 Ų | 122 | 69.1 Ų | 69.1 | 57% | 0.57 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -11.8 | 174.4 | -66.7 | 171.1 | 29.8 | 0 | 0 | 113.6 | D270 I272 L276 | D270-Q274 VanDerWaalsContact O-CB 3.28Å; D270-Q274 WeakPolarHBondContact O-CB 3.38Å; D270-Q274 WeakPolarHBondContact O-CG 3.48Å; D270-Q274 PolarHBondContact O-N 2.92Å; I272-Q274 PolarHBondContact O-N 3.19Å; Q274-L276 VanDerWaalsContact C-N 3.31Å; Q274-L276 HydrophobicContact CB-CD1 4.13Å; Q274-L276 HydrophobicContact CB-CG 3.99Å |
| 275 | G | 88.1 | Confident | 78.1 | Confident | 18 Ų | 18 | 69.5 Ų | 69.5 | 19% | 0.186 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | N160 L271 I272 E273 | N160-G275 VanDerWaalsContact OD1-C 3.23Å; N160-G275 WeakPolarHBondContact OD1-CA 3.44Å; N160-G275 PolarHBondContact OD1-O 2.95Å; L271-G275 PolarHBondContact O-N 3.08Å; I272-G275 PolarHBondContact O-N 3.17Å; E273-G275 VanDerWaalsContact C-N 3.31Å |
| 276 | L | 88.3 | Confident | 76.1 | Confident | 122 Ų | 122 | 75.9 Ų | 75.9 | 64% | 0.639 | 40% | 0.396 | S | S | * | . | trans | -86.9 | -12.9 | -174.2 | -60.8 | -179.6 | 0 | 0 | 0 | 113.7 | L271 Q274 G278 | L271-L276 HydrophobicContact CD2-CB 4.3Å; L271-L276 PolarHBondContact O-N 2.9Å; Q274-L276 VanDerWaalsContact C-N 3.31Å; Q274-L276 HydrophobicContact CB-CD1 4.13Å; Q274-L276 HydrophobicContact CB-CG 3.99Å; L276-G278 VanDerWaalsContact C-N 3.33Å | ||
| 277 | K | 87.1 | Confident | 74.1 | Confident | 76 Ų | 76 | 76 Ų | 76 | 33% | 0.33 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -71.1 | -30.6 | -179.3 | -173.9 | 60.4 | 179.9 | -173.2 | 0 | 112.6 | N160 F178 D268 L271 I272 | N160-K277 WeakPolarHBondContact OD1-CB 3.17Å; N160-K277 PolarHBondContact OD1-N 3.41Å; F178-K277 HydrophobicContact CE1-CD 4.42Å; F178-K277 HydrophobicContact CE1-CG 3.69Å; F178-K277 HydrophobicContact CZ-CG 3.53Å; D268-K277 HydrophobicContact CB-CD 4.3Å; D268-K277 WeakPolarHBondContact OD1-CE 3.4Å; D268-K277 IonicContact OD1-NZ 2.83Å; D268-K277 PolarHBondContact OD1-NZ 2.82Å; D268-K277 WeakPolarHBondContact OD2-CE 3.25Å; D268-K277 IonicContact OD2-NZ 3.12Å; D268-K277 PolarHBondContact OD2-NZ 3.48Å; L271-K277 HydrophobicContact CB-CB 4Å; L271-K277 HydrophobicContact CB-CD 4.46Å; L271-K277 HydrophobicContact CD1-CD 4.4Å; L271-K277 PolarHBondContact O-N 3.36Å; L271-K277 VanDerWaalsContact O-N 3.12Å; I272-K277 HydrophobicContact CG1-CB 3.78Å; I272-K277 HydrophobicContact CG1-CG 3.91Å |
| 278 | G | 88.2 | Confident | 71.9 | Confident | 22 Ų | 22 | 76 Ų | 76 | 23% | 0.227 | 39% | 0.392 | C | S | . | . | trans | 76.6 | 172.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N160 L276 | N160-G278 CarbonylContact O-C 3.51Å; N160-G278 WeakPolarHBondContact O-CA 3.35Å; N160-G278 PolarHBondContact OD1-N 2.95Å; L276-G278 VanDerWaalsContact C-N 3.33Å | ||
| 279 | M | 88.7 | Confident | 69.7 | Low | 55 Ų | 55 | 81.2 Ų | 81.2 | 27% | 0.271 | 42% | 0.416 | S | S | . | . | trans | -72.1 | 143.5 | 177.7 | -71.9 | -63.4 | -70.4 | 0 | 0 | 112.1 | N160 L166 E170 F174 R281 | N160-M279 PolarHBondContact O-N 3.13Å; L166-M279 HydrophobicContact CD1-CE 3.66Å; L166-M279 HydrophobicContact CD1-SD 3.66Å; L166-M279 HydrophobicContact CD2-CE 3.69Å; L166-M279 HydrophobicContact CD2-CG 4.16Å; L166-M279 HydrophobicContact CD2-SD 3.97Å; L166-M279 HydrophobicContact CG-CE 4.34Å; L166-M279 HydrophobicContact CG-SD 4.45Å; E170-M279 HydrophobicContact CB-CE 3.87Å; E170-M279 WeakPolarHBondContact O-CE 3.18Å; F174-M279 HydrophobicContact CB-CE 4.1Å; F174-M279 HydrophobicContact CB-SD 4.41Å; F174-M279 HydrophobicContact CD2-CE 4.42Å; F174-M279 HydrophobicContact CD2-SD 3.69Å; F174-M279 HydrophobicContact CE2-SD 4.45Å; F174-M279 HydrophobicContact CG-SD 4.43Å; M279-R281 PolarHBondContact O-N 3.19Å | ||
| 280 | P | 82.8 | Confident | 67.3 | Low | 24 Ų | 24 | 83.5 Ų | 83.5 | 16% | 0.156 | 44% | 0.435 | C | S | . | . | trans | -65.6 | 133.1 | 176.2 | 30.5 | -35 | 0 | 0 | 0 | 109.6 | C177 F178 V282 | C177-P280 HydrophobicContact CB-CB 3.69Å; C177-P280 HydrophobicContact CB-CG 3.86Å; C177-P280 VanDerWaalsContact SG-CB 3.57Å; F178-P280 HydrophobicContact CE2-CB 4.41Å; F178-P280 HydrophobicContact CE2-CG 4.39Å; P280-V282 HydrophobicContact CG-CG2 4.39Å; P280-V282 PolarHBondContact O-N 3.28Å | ||
| 281 | R | 71.6 | Confident | 64.9 | Low | 248 Ų | 248 | 86.7 Ų | 86.7 | 94% | 0.936 | 45% | 0.446 | S | S | * | . | trans | -74 | 77.4 | 172.5 | -66.6 | -175 | -178.9 | -172.9 | 0.5 | 109.4 | M279 S283 | M279-R281 PolarHBondContact O-N 3.19Å; R281-S283 VanDerWaalsContact C-N 3.34Å; R281-S283 PolarHBondContact O-N 3.02Å | ||
| 282 | V | 61.2 | Low | 62.7 | Low | 76 Ų | 76 | 86.4 Ų | 86.4 | 46% | 0.461 | 45% | 0.45 | S | S | . | . | trans | -67.5 | 98.1 | 169.9 | 179.5 | 0 | 0 | 0 | 0 | 108.2 | D173 P280 K284 | D173-V282 HydrophobicContact CB-CG2 3.72Å; P280-V282 HydrophobicContact CG-CG2 4.39Å; P280-V282 PolarHBondContact O-N 3.28Å; V282-K284 PolarHBondContact O-N 3.29Å | ||
| 283 | S | 44.7 | Very low | 60.2 | Low | 91 Ų | 91 | 90.8 Ų | 90.8 | 64% | 0.636 | 48% | 0.479 | S | S | * | . | trans | -67.2 | 95.4 | 175.1 | 51.6 | 0 | 0 | 0 | 0 | 109.7 | R281 A285 | R281-S283 VanDerWaalsContact C-N 3.34Å; R281-S283 PolarHBondContact O-N 3.02Å; S283-A285 PolarHBondContact O-N 2.84Å | ||
| 284 | K | 45.4 | Very low | 57.8 | Low | 166 Ų | 166 | 96.1 Ų | 96.1 | 72% | 0.722 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 4.6 | 157.5 | -76.1 | 179.1 | 178.4 | 168.2 | 0 | 112.8 | V282 R286 S287 | V282-K284 PolarHBondContact O-N 3.29Å; K284-R286 PolarHBondContact O-N 3.05Å; K284-R286 VanDerWaalsContact O-N 3.09Å; K284-S287 WeakPolarHBondContact O-CB 3.42Å; K284-S287 PolarHBondContact O-N 3.11Å |
| 285 | A | 35.8 | Very low | 55.8 | Low | 31 Ų | 31 | 97.3 Ų | 97.3 | 26% | 0.256 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -52.2 | -21.6 | 170 | 0 | 0 | 0 | 0 | 0 | 113.9 | S283 S287 A288 E289 | S283-A285 PolarHBondContact O-N 2.84Å; A285-S287 CarbonylContact O-C 3.57Å; A285-S287 PolarHBondContact O-N 3.18Å; A285-A288 CarbonylContact O-C 3.48Å; A285-A288 PolarHBondContact O-N 2.71Å; A285-E289 HydrophobicContact CB-CG 4.47Å; A285-E289 WeakPolarHBondContact O-CB 3.42Å; A285-E289 PolarHBondContact O-N 3.07Å |
| 286 | R | 37.1 | Very low | 53.8 | Low | 222 Ų | 222 | 103.1 Ų | 103.1 | 84% | 0.838 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -55.2 | -19.5 | 166.9 | -92.8 | -171.6 | 170.2 | -170.7 | -3.7 | 114.4 | K284 A290 | K284-R286 PolarHBondContact O-N 3.05Å; K284-R286 VanDerWaalsContact O-N 3.09Å; R286-A290 VanDerWaalsContact O-CB 3.25Å; R286-A290 WeakPolarHBondContact O-CB 3.46Å |
| 287 | S | 39.3 | Very low | 51.6 | Low | 67 Ų | 67 | 101 Ų | 101 | 47% | 0.469 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -79.4 | -53.5 | 165.4 | -170.4 | 0 | 0 | 0 | 0 | 111.5 | K284 A285 E289 A290 F291 | K284-S287 WeakPolarHBondContact O-CB 3.42Å; K284-S287 PolarHBondContact O-N 3.11Å; A285-S287 CarbonylContact O-C 3.57Å; A285-S287 PolarHBondContact O-N 3.18Å; S287-E289 PolarHBondContact O-N 2.96Å; S287-A290 PolarHBondContact O-N 2.94Å; S287-F291 WeakPolarHBondContact O-CD2 3.17Å; S287-F291 PolarHBondContact O-N 2.94Å |
| 288 | A | 38.2 | Very low | 49.5 | Very low | 65 Ų | 65 | 103.6 Ų | 103.6 | 54% | 0.537 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65 | -39.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A285 F291 S292 | A285-A288 CarbonylContact O-C 3.48Å; A285-A288 PolarHBondContact O-N 2.71Å; A288-F291 PolarHBondContact O-N 3.19Å; A288-S292 WeakPolarHBondContact O-CB 3.38Å; A288-S292 PolarHBondContact O-N 3.34Å |
| 289 | E | 37.3 | Very low | 47.6 | Very low | 127 Ų | 127 | 108.7 Ų | 108.7 | 59% | 0.593 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.8 | -36.7 | 175.5 | -68.4 | 166.5 | 178.6 | 0 | 0 | 111.3 | A285 S287 S292 C293 | A285-E289 HydrophobicContact CB-CG 4.47Å; A285-E289 WeakPolarHBondContact O-CB 3.42Å; A285-E289 PolarHBondContact O-N 3.07Å; S287-E289 PolarHBondContact O-N 2.96Å; E289-S292 PolarHBondContact O-N 3.39Å; E289-C293 WeakPolarHBondContact O-CB 3.44Å; E289-C293 PolarHBondContact O-N 3.26Å |
| 290 | A | 35.4 | Very low | 45.1 | Very low | 53 Ų | 53 | 112.3 Ų | 112.3 | 44% | 0.438 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.3 | -40.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R286 S287 M294 | R286-A290 VanDerWaalsContact O-CB 3.25Å; R286-A290 WeakPolarHBondContact O-CB 3.46Å; S287-A290 PolarHBondContact O-N 2.94Å; A290-M294 WeakPolarHBondContact O-CB 3.27Å; A290-M294 WeakPolarHBondContact O-CG 3.24Å; A290-M294 PolarHBondContact O-N 3.1Å |
| 291 | F | 38.6 | Very low | 42.7 | Very low | 143 Ų | 143 | 117.1 Ų | 117.1 | 63% | 0.627 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.2 | -40.7 | 171.7 | -82.8 | -67.4 | 0 | 0 | 0 | 112.3 | S287 A288 M294 H295 | S287-F291 WeakPolarHBondContact O-CD2 3.17Å; S287-F291 PolarHBondContact O-N 2.94Å; A288-F291 PolarHBondContact O-N 3.19Å; F291-M294 PolarHBondContact O-N 3.42Å; F291-H295 WeakPolarHBondContact O-CB 3.45Å; F291-H295 PolarHBondContact O-N 3.27Å |
| 292 | S | 43.3 | Very low | 41 | Very low | 65 Ų | 65 | 109.7 Ų | 109.7 | 46% | 0.455 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65 | -41.1 | 177.7 | -165.8 | 0 | 0 | 0 | 0 | 112.2 | A288 E289 H295 Q296 | A288-S292 WeakPolarHBondContact O-CB 3.38Å; A288-S292 PolarHBondContact O-N 3.34Å; E289-S292 PolarHBondContact O-N 3.39Å; S292-H295 PolarHBondContact O-N 2.94Å; S292-Q296 WeakPolarHBondContact O-CG 3.49Å; S292-Q296 PolarHBondContact O-N 2.85Å |
| 293 | C | 35.8 | Very low | 39.8 | Very low | 92 Ų | 92 | 112.7 Ų | 112.7 | 62% | 0.622 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.8 | -36.5 | 174.4 | -168.6 | 0 | 0 | 0 | 0 | 112.5 | E289 | E289-C293 WeakPolarHBondContact O-CB 3.44Å; E289-C293 PolarHBondContact O-N 3.26Å |
| 294 | M | 39.1 | Very low | 39.4 | Very low | 134 Ų | 134 | 111.9 Ų | 111.9 | 66% | 0.66 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.1 | -37.9 | 172.7 | -74 | -81.2 | -63.3 | 0 | 0 | 112.3 | A290 F291 A297 | A290-M294 WeakPolarHBondContact O-CB 3.27Å; A290-M294 WeakPolarHBondContact O-CG 3.24Å; A290-M294 PolarHBondContact O-N 3.1Å; F291-M294 PolarHBondContact O-N 3.42Å; M294-A297 WeakPolarHBondContact O-CB 3.29Å; M294-A297 PolarHBondContact O-N 3Å |
| 295 | H | 45.3 | Very low | 39 | Very low | 146 Ų | 146 | 112.3 Ų | 112.3 | 68% | 0.676 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -74.4 | -31.4 | -176.9 | -133.3 | -51.4 | 0 | 0 | 0 | 112.8 | F291 S292 A297 N298 | F291-H295 WeakPolarHBondContact O-CB 3.45Å; F291-H295 PolarHBondContact O-N 3.27Å; S292-H295 PolarHBondContact O-N 2.94Å; H295-A297 VanDerWaalsContact C-N 3.26Å; H295-A297 PolarHBondContact O-N 3.47Å; H295-N298 PolarHBondContact O-N 2.94Å |
| 296 | Q | 46.5 | Very low | 39 | Very low | 141 Ų | 141 | 118.3 Ų | 118.3 | 66% | 0.659 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -68.4 | -23.1 | 171.3 | -73.1 | 179.9 | -1.9 | 0 | 0 | 113 | S292 N298 | S292-Q296 WeakPolarHBondContact O-CG 3.49Å; S292-Q296 PolarHBondContact O-N 2.85Å; Q296-N298 PolarHBondContact O-N 3.27Å |
| 297 | A | 41.7 | Very low | 39 | Very low | 76 Ų | 76 | 116.2 Ų | 116.2 | 63% | 0.628 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -7.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | M294 H295 | M294-A297 WeakPolarHBondContact O-CB 3.29Å; M294-A297 PolarHBondContact O-N 3Å; H295-A297 VanDerWaalsContact C-N 3.26Å; H295-A297 PolarHBondContact O-N 3.47Å |
| 298 | N | 43.8 | Very low | 38.9 | Very low | 131 Ų | 131 | 123.5 Ų | 123.5 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 11.5 | -179.9 | -75 | -33.5 | 0 | 0 | 0 | 114.1 | H295 Q296 | H295-N298 PolarHBondContact O-N 2.94Å; Q296-N298 PolarHBondContact O-N 3.27Å |
| 299 | L | 47.3 | Very low | 38.6 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 68% | 0.681 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -81.4 | 132.4 | 166.8 | -73.8 | 167.8 | 0 | 0 | 0 | 109.6 | C301 | L299-C301 VanDerWaalsContact C-N 3.29Å; L299-C301 PolarHBondContact O-N 3.46Å |
| 300 | P | 37.7 | Very low | 38.7 | Very low | 131 Ų | 131 | 133 Ų | 133 | 85% | 0.851 | 71% | 0.711 | S | S | * | * | trans | -73.2 | 83.1 | 179.4 | 30.5 | -34.6 | 0 | 0 | 0 | 110.3 | ||||
| 301 | C | 32 | Very low | 38.8 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | trans | -73.5 | 131.9 | 175.7 | -157.5 | 0 | 0 | 0 | 0 | 110 | L299 | L299-C301 VanDerWaalsContact C-N 3.29Å; L299-C301 PolarHBondContact O-N 3.46Å | ||
| 302 | S | 35.4 | Very low | 39.1 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 65% | 0.65 | 71% | 0.713 | S | S | * | * | trans | -60.8 | 146 | -172.6 | -171.1 | 0 | 0 | 0 | 0 | 112.2 | A304 | S302-A304 PolarHBondContact O-N 3.37Š| ||
| 303 | P | 36.9 | Very low | 39.1 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 90% | 0.903 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -69.1 | 15.8 | -171.6 | -20.1 | 33.8 | 0 | 0 | 0 | 116.9 | ||
| 304 | A | 36.4 | Very low | 39.3 | Very low | 74 Ų | 74 | 132.1 Ų | 132.1 | 61% | 0.612 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -110.6 | 125.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S302 | S302-A304 PolarHBondContact O-N 3.37Š|
| 305 | M | 36.3 | Very low | 39.5 | Very low | 174 Ų | 174 | 128.9 Ų | 128.9 | 86% | 0.857 | 70% | 0.704 | S | S | * | * | trans | 78.8 | 52.1 | 166.7 | -44.6 | -127.4 | 74.7 | 0 | 0 | 117.9 | Q307 | M305-Q307 PolarHBondContact O-N 3.49Š| ||
| 306 | I | 35.6 | Very low | 39.7 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 81% | 0.81 | 71% | 0.709 | S | S | * | * | trans | -86.7 | 89.7 | 155.9 | -56.8 | 178.4 | 0 | 0 | 0 | 109.2 | R308 | I306-R308 HydrophobicContact CG2-CG 4.5Å; I306-R308 PolarHBondContact O-N 3.36Å | ||
| 307 | Q | 36.3 | Very low | 39.5 | Very low | 178 Ų | 178 | 132.5 Ų | 132.5 | 83% | 0.832 | 71% | 0.707 | S | S | * | * | trans | -69 | 106.7 | 160.1 | -91.4 | -179.9 | -20.4 | 0 | 0 | 108.4 | M305 R309 | M305-Q307 PolarHBondContact O-N 3.49Å; Q307-R309 PolarHBondContact O-N 3.3Å | ||
| 308 | R | 37.3 | Very low | 40 | Very low | 220 Ų | 220 | 134.1 Ų | 134.1 | 83% | 0.83 | 71% | 0.705 | S | S | * | * | trans | -64.1 | 97.8 | 174.4 | -75.3 | -170 | 177.3 | -170.3 | 1.6 | 110 | I306 E310 | I306-R308 HydrophobicContact CG2-CG 4.5Å; I306-R308 PolarHBondContact O-N 3.36Å; R308-E310 PolarHBondContact O-N 3.03Å | ||
| 309 | R | 33.4 | Very low | 40.4 | Very low | 245 Ų | 245 | 132.6 Ų | 132.6 | 93% | 0.925 | 70% | 0.696 | S | S | * | * | trans | -88.3 | 95.8 | 168 | -156.4 | 178.3 | -166.9 | -169.7 | 4.5 | 108.4 | Q307 S311 | Q307-R309 PolarHBondContact O-N 3.3Å; R309-S311 PolarHBondContact O-N 3.2Å | ||
| 310 | E | 38.1 | Very low | 40.5 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 68% | 0.678 | 68% | 0.68 | S | S | * | * | trans | -63.7 | 131.2 | 179.8 | -63.6 | -172.8 | 159.3 | 0 | 0 | 110.7 | R308 | R308-E310 PolarHBondContact O-N 3.03Š| ||
| 311 | S | 37.6 | Very low | 41.2 | Very low | 62 Ų | 62 | 126.7 Ų | 126.7 | 43% | 0.434 | 65% | 0.654 | S | S | . | * | trans | -76.2 | 128.5 | 178.1 | 176.3 | 0 | 0 | 0 | 0 | 110 | R309 V313 A314 | R309-S311 PolarHBondContact O-N 3.2Å; S311-V313 PolarHBondContact O-N 3.05Å; S311-V313 PolarHBondContact OG-N 3.32Å; S311-A314 PolarHBondContact O-N 2.98Å | ||
| 312 | P | 44.8 | Very low | 42.2 | Very low | 105 Ų | 105 | 124.7 Ų | 124.7 | 68% | 0.682 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -56.2 | -18.2 | 176.7 | -26.6 | 35 | 0 | 0 | 0 | 114.6 | R316 | P312-R316 VanDerWaalsContact O-CG 3.29Å; P312-R316 WeakPolarHBondContact O-CG 3.45Å |
| 313 | V | 44.7 | Very low | 43.1 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 69% | 0.685 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -75.9 | -31.6 | 177.9 | -174.6 | 0 | 0 | 0 | 0 | 112 | S311 | S311-V313 PolarHBondContact O-N 3.05Å; S311-V313 PolarHBondContact OG-N 3.32Å |
| 314 | A | 39 | Very low | 43.6 | Very low | 55 Ų | 55 | 123.2 Ų | 123.2 | 46% | 0.455 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -74.3 | -39.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S311 R316 Y317 L318 | S311-A314 PolarHBondContact O-N 2.98Å; A314-R316 PolarHBondContact O-N 2.97Å; A314-Y317 PolarHBondContact O-N 3.33Å; A314-L318 PolarHBondContact O-N 3.07Å |
| 315 | V | 43.5 | Very low | 44.1 | Very low | 67 Ų | 67 | 123.7 Ų | 123.7 | 41% | 0.406 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.4 | -46.2 | 177.7 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | Y317 L318 D319 | V315-Y317 PolarHBondContact O-N 2.93Å; V315-L318 PolarHBondContact O-N 3.17Å; V315-L318 VanDerWaalsContact O-N 3.17Å; V315-D319 PolarHBondContact O-N 3.46Å |
| 316 | R | 49.3 | Very low | 44.6 | Very low | 206 Ų | 206 | 121.8 Ų | 121.8 | 78% | 0.777 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -55.7 | -33.6 | 176.4 | -69.3 | -95.8 | -173.7 | 153.1 | 0.4 | 113.7 | P312 A314 Y320 | P312-R316 VanDerWaalsContact O-CG 3.29Å; P312-R316 WeakPolarHBondContact O-CG 3.45Å; A314-R316 PolarHBondContact O-N 2.97Å; R316-Y320 WeakPolarHBondContact O-CB 3.48Å; R316-Y320 PolarHBondContact O-N 2.96Å; R316-Y320 VanDerWaalsContact O-N 3.17Å |
| 317 | Y | 41.5 | Very low | 44.8 | Very low | 156 Ų | 156 | 120.9 Ų | 120.9 | 61% | 0.612 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -78.5 | -38.2 | -179.4 | -165.7 | -87.8 | 0 | 0 | 0 | 111.9 | A314 V315 Y320 V321 | A314-Y317 PolarHBondContact O-N 3.33Å; V315-Y317 PolarHBondContact O-N 2.93Å; Y317-Y320 PolarHBondContact O-N 3.44Å; Y317-V321 HydrophobicContact CD1-CG2 4.04Å; Y317-V321 HydrophobicContact CE1-CG2 3.77Å; Y317-V321 WeakPolarHBondContact O-CG2 3.45Å; Y317-V321 PolarHBondContact O-N 3.49Å |
| 318 | L | 52 | Low | 44.7 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 58% | 0.581 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.6 | -44.3 | 174.2 | -85.6 | 155.4 | 0 | 0 | 0 | 111.8 | A314 V315 Y320 V321 N322 | A314-L318 PolarHBondContact O-N 3.07Å; V315-L318 PolarHBondContact O-N 3.17Å; V315-L318 VanDerWaalsContact O-N 3.17Å; L318-Y320 VanDerWaalsContact C-N 3.32Å; L318-Y320 PolarHBondContact O-N 3.17Å; L318-V321 PolarHBondContact O-N 2.97Å; L318-N322 WeakPolarHBondContact O-CB 3.41Å; L318-N322 VanDerWaalsContact O-CG 3.24Å; L318-N322 PolarHBondContact O-N 3.45Å; L318-N322 PolarHBondContact O-ND2 3.24Å |
| 319 | D | 53.3 | Low | 44.5 | Very low | 99 Ų | 99 | 118.7 Ų | 118.7 | 53% | 0.529 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.6 | -41.1 | 174.1 | -72.7 | -25.5 | 0 | 0 | 0 | 111.9 | V315 N322 L323 | V315-D319 PolarHBondContact O-N 3.46Å; D319-N322 PolarHBondContact O-N 3.17Å; D319-L323 WeakPolarHBondContact O-CB 3.5Å; D319-L323 PolarHBondContact O-N 3.43Å |
| 320 | Y | 48.4 | Very low | 44.7 | Very low | 86 Ų | 86 | 111.7 Ų | 111.7 | 34% | 0.337 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.5 | -50.8 | 175.1 | -179.8 | -109.8 | 0 | 0 | 0 | 111.6 | F192 R316 Y317 L318 N322 L323 I324 | F192-Y320 HydrophobicContact CD1-CE1 4.38Å; F192-Y320 AromaticContact CE1-CD1 3.77Å; F192-Y320 HydrophobicContact CE1-CD1 3.77Å; F192-Y320 HydrophobicContact CE1-CD2 4.43Å; F192-Y320 AromaticContact CE1-CE1 3.51Å; F192-Y320 HydrophobicContact CE1-CE1 3.51Å; F192-Y320 HydrophobicContact CE1-CE2 4.22Å; F192-Y320 HydrophobicContact CE1-CG 4.22Å; F192-Y320 AromaticContact CE1-CZ 3.75Å; F192-Y320 HydrophobicContact CE2-CE1 4.25Å; F192-Y320 AromaticContact CE2-CE2 3.8Å; F192-Y320 HydrophobicContact CE2-CE2 3.8Å; F192-Y320 AromaticContact CE2-CZ 3.61Å; F192-Y320 AromaticContact CZ-CD1 3.84Å; F192-Y320 HydrophobicContact CZ-CD1 3.84Å; F192-Y320 AromaticContact CZ-CD2 3.7Å; F192-Y320 HydrophobicContact CZ-CD2 3.7Å; F192-Y320 AromaticContact CZ-CE1 3.45Å; F192-Y320 HydrophobicContact CZ-CE1 3.45Å; F192-Y320 VanDerWaalsContact CZ-CE1 3.45Å; F192-Y320 AromaticContact CZ-CE2 3.31Å; F192-Y320 HydrophobicContact CZ-CE2 3.31Å; F192-Y320 AromaticContact CZ-CG 3.95Å; F192-Y320 HydrophobicContact CZ-CG 3.95Å; F192-Y320 AromaticContact CZ-CZ 3.17Å; R316-Y320 WeakPolarHBondContact O-CB 3.48Å; R316-Y320 PolarHBondContact O-N 2.96Å; R316-Y320 VanDerWaalsContact O-N 3.17Å; Y317-Y320 PolarHBondContact O-N 3.44Å; L318-Y320 VanDerWaalsContact C-N 3.32Å; L318-Y320 PolarHBondContact O-N 3.17Å; Y320-N322 VanDerWaalsContact C-N 3.28Å; Y320-N322 PolarHBondContact O-N 3.2Å; Y320-L323 WeakPolarHBondContact O-CA 3.07Å; Y320-L323 WeakPolarHBondContact O-CB 3.39Å; Y320-L323 PolarHBondContact O-N 3.38Å; Y320-I324 HydrophobicContact CD1-CD1 4.02Å; Y320-I324 HydrophobicContact CD1-CG1 4.34Å; Y320-I324 HydrophobicContact CE1-CD1 3.57Å; Y320-I324 HydrophobicContact CE1-CG1 4.13Å; Y320-I324 HydrophobicContact CE2-CG2 4.49Å; Y320-I324 WeakPolarHBondContact O-CG1 3.35Å; Y320-I324 PolarHBondContact O-N 3.41Å |
| 321 | V | 52.7 | Low | 44.7 | Very low | 51 Ų | 51 | 114.3 Ų | 114.3 | 31% | 0.309 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -59.7 | -38.6 | 178.6 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | Y317 L318 T325 | Y317-V321 HydrophobicContact CD1-CG2 4.04Å; Y317-V321 HydrophobicContact CE1-CG2 3.77Å; Y317-V321 WeakPolarHBondContact O-CG2 3.45Å; Y317-V321 PolarHBondContact O-N 3.49Å; L318-V321 PolarHBondContact O-N 2.97Å; V321-T325 HydrophobicContact CG1-CG2 4.38Å; V321-T325 WeakPolarHBondContact O-CB 3.48Å; V321-T325 VanDerWaalsContact O-CG2 3.31Å; V321-T325 WeakPolarHBondContact O-CG2 3.37Å; V321-T325 PolarHBondContact O-N 2.82Å; V321-T325 PolarHBondContact O-OG1 3.41Å |
| 322 | N | 54.6 | Low | 44.3 | Very low | 82 Ų | 82 | 120.6 Ų | 120.6 | 44% | 0.439 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.5 | -34.7 | 172.6 | -70.6 | -25.9 | 0 | 0 | 0 | 112.6 | L318 D319 Y320 T325 N326 | L318-N322 WeakPolarHBondContact O-CB 3.41Å; L318-N322 VanDerWaalsContact O-CG 3.24Å; L318-N322 PolarHBondContact O-N 3.45Å; L318-N322 PolarHBondContact O-ND2 3.24Å; D319-N322 PolarHBondContact O-N 3.17Å; Y320-N322 VanDerWaalsContact C-N 3.28Å; Y320-N322 PolarHBondContact O-N 3.2Å; N322-T325 WeakPolarHBondContact CA-OG1 3.45Å; N322-T325 PolarHBondContact O-OG1 3.22Å; N322-N326 WeakPolarHBondContact O-CB 3.31Å; N322-N326 PolarHBondContact O-N 3.06Å; N322-N326 PolarHBondContact O-ND2 3.44Å |
| 323 | L | 52.8 | Low | 44 | Very low | 107 Ų | 107 | 121.1 Ų | 121.1 | 56% | 0.56 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.2 | -38 | 179 | -173.2 | 64.6 | 0 | 0 | 0 | 113.5 | D319 Y320 Q327 | D319-L323 WeakPolarHBondContact O-CB 3.5Å; D319-L323 PolarHBondContact O-N 3.43Å; Y320-L323 WeakPolarHBondContact O-CA 3.07Å; Y320-L323 WeakPolarHBondContact O-CB 3.39Å; Y320-L323 PolarHBondContact O-N 3.38Å; L323-Q327 WeakPolarHBondContact O-CG 3.39Å; L323-Q327 PolarHBondContact O-NE2 3.36Å |
| 324 | I | 46.9 | Very low | 43.6 | Very low | 93 Ų | 93 | 122.7 Ų | 122.7 | 48% | 0.477 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -78.2 | -29.6 | 175.5 | 29 | 160.8 | 0 | 0 | 0 | 113 | Y320 | Y320-I324 HydrophobicContact CD1-CD1 4.02Å; Y320-I324 HydrophobicContact CD1-CG1 4.34Å; Y320-I324 HydrophobicContact CE1-CD1 3.57Å; Y320-I324 HydrophobicContact CE1-CG1 4.13Å; Y320-I324 HydrophobicContact CE2-CG2 4.49Å; Y320-I324 WeakPolarHBondContact O-CG1 3.35Å; Y320-I324 PolarHBondContact O-N 3.41Å |
| 325 | T | 48.3 | Very low | 43.2 | Very low | 85 Ų | 85 | 126.8 Ų | 126.8 | 52% | 0.521 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -77.8 | -28.3 | 178.6 | 48.9 | 0 | 0 | 0 | 0 | 113.8 | V321 N322 Q327 | V321-T325 HydrophobicContact CG1-CG2 4.38Å; V321-T325 WeakPolarHBondContact O-CB 3.48Å; V321-T325 VanDerWaalsContact O-CG2 3.31Å; V321-T325 WeakPolarHBondContact O-CG2 3.37Å; V321-T325 PolarHBondContact O-N 2.82Å; V321-T325 PolarHBondContact O-OG1 3.41Å; N322-T325 WeakPolarHBondContact CA-OG1 3.45Å; N322-T325 PolarHBondContact O-OG1 3.22Å; T325-Q327 VanDerWaalsContact C-N 3.31Å; T325-Q327 PolarHBondContact O-N 2.68Å |
| 326 | N | 46.8 | Very low | 42.5 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 71% | 0.711 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 6.8 | 178.7 | -75.3 | -58.7 | 0 | 0 | 0 | 114.9 | N322 | N322-N326 WeakPolarHBondContact O-CB 3.31Å; N322-N326 PolarHBondContact O-N 3.06Å; N322-N326 PolarHBondContact O-ND2 3.44Å |
| 327 | Q | 38.9 | Very low | 41.8 | Very low | 140 Ų | 140 | 123.4 Ų | 123.4 | 65% | 0.654 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 21.5 | -178.9 | -76.7 | -172.7 | 53.9 | 0 | 0 | 115.3 | L323 T325 | L323-Q327 WeakPolarHBondContact O-CG 3.39Å; L323-Q327 PolarHBondContact O-NE2 3.36Å; T325-Q327 VanDerWaalsContact C-N 3.31Å; T325-Q327 PolarHBondContact O-N 2.68Å |
| 328 | R | 35.5 | Very low | 41.5 | Very low | 228 Ų | 228 | 124.1 Ų | 124.1 | 86% | 0.86 | 67% | 0.668 | S | S | * | * | trans | -76.7 | 125.9 | 167 | -82.4 | -175.1 | 177 | 159.9 | 1.3 | 110.6 | A330 | R328-A330 PolarHBondContact O-N 2.91Å; R328-A330 VanDerWaalsContact O-N 3.1Å | ||
| 329 | P | 33.2 | Very low | 40.6 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 80% | 0.799 | 68% | 0.684 | S | S | * | * | trans | -71.5 | 107.4 | 174.9 | 28.9 | -32.7 | 0 | 0 | 0 | 109.6 | K331 | P329-K331 PolarHBondContact O-N 2.78Š| ||
| 330 | A | 36.7 | Very low | 39.7 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 81% | 0.81 | 70% | 0.697 | S | S | * | * | trans | -64.1 | 125.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | R328 Q332 | R328-A330 PolarHBondContact O-N 2.91Å; R328-A330 VanDerWaalsContact O-N 3.1Å; A330-Q332 PolarHBondContact O-N 3.49Å | ||
| 331 | K | 37.8 | Very low | 39.2 | Very low | 201 Ų | 201 | 130.7 Ų | 130.7 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | trans | -63.4 | 136.8 | 178.4 | -75.5 | -179.2 | 176 | 178.6 | 0 | 110.4 | P329 T333 | P329-K331 PolarHBondContact O-N 2.78Å; K331-T333 PolarHBondContact O-N 3.24Å | ||
| 332 | Q | 30.5 | Very low | 38.5 | Very low | 193 Ų | 193 | 137.4 Ų | 137.4 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | trans | -68.8 | 113 | 179.4 | 178 | 178.2 | 5.5 | 0 | 0 | 111.7 | A330 | A330-Q332 PolarHBondContact O-N 3.49Š| ||
| 333 | T | 37.8 | Very low | 37.4 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | -148.4 | 119.7 | 161 | 49.5 | 0 | 0 | 0 | 0 | 109.6 | K331 | K331-T333 PolarHBondContact O-N 3.24Š| ||
| 334 | D | 35.6 | Very low | 36.5 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | 43.2 | 139.7 | 147 | -57.9 | -19.7 | 0 | 0 | 0 | 121.4 | ||||
| 335 | L | 30.4 | Very low | 36.1 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | cis | 176.4 | 136.2 | -15.3 | -114.7 | 171.4 | 0 | 0 | 0 | 103.9 | S337 | L335-S337 PolarHBondContact O-N 3.17Š| ||
| 336 | A | 30.4 | Very low | 35.5 | Very low | 100 Ų | 100 | 142.7 Ų | 142.7 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | 37.1 | 70.3 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 337 | S | 34.1 | Very low | 34.7 | Very low | 101 Ų | 101 | 141.1 Ų | 141.1 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | -157.2 | 167.6 | 148.1 | 58.1 | 0 | 0 | 0 | 0 | 111.2 | L335 | L335-S337 PolarHBondContact O-N 3.17Š| ||
| 338 | L | 35 | Very low | 34.3 | Very low | 172 Ų | 172 | 139.9 Ų | 139.9 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 77.8 | 3.8 | 176.1 | -54.2 | 172.3 | 0 | 0 | 0 | 119.2 | ||
| 339 | F | 32.2 | Very low | 34.2 | Very low | 209 Ų | 209 | 136.7 Ų | 136.7 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | -95.8 | 85 | 153.8 | -86.5 | -75 | 0 | 0 | 0 | 110.6 | ||||
| 340 | S | 34.4 | Very low | 34.2 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -161 | 139.8 | 161.4 | -84.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 341 | S | 38.6 | Very low | 34 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 104 | 101.7 | 173.6 | -50.4 | 0 | 0 | 0 | 0 | 116.5 | ||
| 342 | Q | 37.9 | Very low | 33.7 | Very low | 192 Ų | 192 | 133.6 Ų | 133.6 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | 90.1 | 73.3 | 144.4 | -58.4 | -178.9 | 44.5 | 0 | 0 | 118.2 | ||||
| 343 | S | 30.9 | Very low | 33.6 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -69.8 | 131.8 | 143.7 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 344 | S | 35.6 | Very low | 33.3 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -179.5 | 106.6 | 136.4 | 49.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 345 | A | 37.4 | Very low | 32.9 | Very low | 91 Ų | 91 | 140.1 Ų | 140.1 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | 169.3 | 111.1 | 128.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 346 | I | 35.7 | Very low | 32.8 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | 51.4 | 84.7 | 134.3 | -49.1 | 171.3 | 0 | 0 | 0 | 116.1 | ||||
| 347 | S | 31 | Very low | 33 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | 62.2 | 96.7 | 79.6 | 79.6 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 348 | S | 30.4 | Very low | 32.8 | Very low | 114 Ų | 114 | 145.5 Ų | 145.5 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | 166.1 | 162.9 | 121.2 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 349 | I | 32.5 | Very low | 32.9 | Very low | 160 Ų | 160 | 142 Ų | 142 | 82% | 0.821 | 81% | 0.809 | S | S | * | * | trans | 84.7 | 83.1 | 169.5 | -48.2 | 177 | 0 | 0 | 0 | 117 | ||||
| 350 | S | 33 | Very low | 32.9 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | 9.3 | 148.6 | 143.7 | -50.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 351 | P | 31.8 | Very low | 32.7 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 137.9 | 179.7 | 33.9 | -35.3 | 0 | 0 | 0 | 113.5 | ||
| 352 | V | 32.6 | Very low | 32.5 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 126 | 176.6 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 353 | R | 28.5 | Very low | 32.2 | Very low | 209 Ų | 209 | 140.4 Ų | 140.4 | 79% | 0.789 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 121.3 | 176.6 | -175.6 | -170.5 | -149.4 | 161.9 | 5.7 | 109.6 | Q355 | R353-Q355 PolarHBondContact O-N 2.92Š|
| 354 | Y | 30.8 | Very low | 32.3 | Very low | 222 Ų | 222 | 141.4 Ų | 141.4 | 87% | 0.871 | 80% | 0.801 | S | S | * | * | trans | -79.8 | 111.4 | 171.2 | -74.1 | -81.9 | 0 | 0 | 0 | 110.6 | ||||
| 355 | Q | 28.3 | Very low | 32.1 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -100.9 | 140.5 | 166.5 | -79.3 | 176.3 | -81.9 | 0 | 0 | 109.9 | R353 | R353-Q355 PolarHBondContact O-N 2.92Š| ||
| 356 | L | 28.1 | Very low | 31.7 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -72.1 | 141.1 | 165.2 | -74.4 | 91.4 | 0 | 0 | 0 | 110.1 | ||||
| 357 | P | 34.2 | Very low | 31.7 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -93.6 | 115.7 | 162.1 | 9.8 | 9.3 | 0 | 0 | 0 | 110.8 | ||||
| 358 | N | 30.5 | Very low | 31.6 | Very low | 168 Ų | 168 | 147.7 Ų | 147.7 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | trans | -81.4 | 129.4 | 149.1 | -90.5 | -8.2 | 0 | 0 | 0 | 107.6 | ||||
| 359 | A | 35.9 | Very low | 31.8 | Very low | 100 Ų | 100 | 148.4 Ų | 148.4 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -148 | 136.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 360 | M | 32.1 | Very low | 31.6 | Very low | 195 Ų | 195 | 148.3 Ų | 148.3 | 96% | 0.961 | 79% | 0.791 | S | S | * | * | trans | -99.3 | 163.5 | 179.6 | -57.2 | -108 | -70.7 | 0 | 0 | 109.8 | ||||
| 361 | G | 31.3 | Very low | 31.6 | Very low | 73 Ų | 73 | 153.5 Ų | 153.5 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | 123.5 | 96.6 | 154.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 362 | E | 33.8 | Very low | 31.6 | Very low | 181 Ų | 181 | 158.6 Ų | 158.6 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | 44.9 | 130.5 | 142 | -57.5 | -165.3 | 150.1 | 0 | 0 | 123.6 | ||||
| 363 | D | 31 | Very low | 31.5 | Very low | 142 Ų | 142 | 158.7 Ų | 158.7 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | trans | 91.4 | 140.2 | 131.7 | -85.6 | 10 | 0 | 0 | 0 | 125.2 | ||||
| 364 | L | 34.2 | Very low | 31.5 | Very low | 143 Ų | 143 | 158 Ų | 158 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | 83.8 | 78.5 | 157.1 | -68.9 | 157.2 | 0 | 0 | 0 | 121 | ||||
| 365 | I | 31.3 | Very low | 31.5 | Very low | 151 Ų | 151 | 155 Ų | 155 | 77% | 0.774 | 81% | 0.809 | S | S | * | * | 68.6 | 118.6 | 118.7 | -68.2 | -178.9 | 0 | 0 | 0 | 120.7 | |||||
| 366 | S | 28.2 | Very low | 31.6 | Very low | 87 Ų | 87 | 156.6 Ų | 156.6 | 61% | 0.608 | 82% | 0.816 | S | S | * | * | trans | 63.7 | 114.5 | 143.2 | -172.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 367 | H | 35.6 | Very low | 31.8 | Very low | 189 Ų | 189 | 155.2 Ų | 155.2 | 88% | 0.875 | 82% | 0.815 | S | S | * | * | -150.2 | 133.2 | 105.4 | -109.3 | -79.9 | 0 | 0 | 0 | 111.6 | |||||
| 368 | Q | 28.8 | Very low | 31.7 | Very low | 161 Ų | 161 | 154.3 Ų | 154.3 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -70.7 | 151.5 | 175.9 | -63.6 | 179.5 | -6.7 | 0 | 0 | 111.6 | ||||
| 369 | N | 34.3 | Very low | 31.7 | Very low | 129 Ų | 129 | 156.2 Ų | 156.2 | 69% | 0.69 | 81% | 0.811 | S | S | * | * | -170.2 | 130 | 112.5 | -96.7 | -38 | 0 | 0 | 0 | 115.5 | |||||
| 370 | H | 30 | Very low | 31.4 | Very low | 159 Ų | 159 | 159.8 Ų | 159.8 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | 60.4 | 103.6 | 144.8 | -70.9 | 61.5 | 0 | 0 | 0 | 120.7 | ||||
| 371 | F | 31.4 | Very low | 31.4 | Very low | 214 Ų | 214 | 157.2 Ų | 157.2 | 94% | 0.939 | 80% | 0.8 | S | S | * | * | -163.8 | 128.8 | 104.3 | -104.9 | -76.3 | 0 | 0 | 0 | 109.8 | |||||
| 372 | R | 32.6 | Very low | 31.4 | Very low | 235 Ų | 235 | 162.5 Ų | 162.5 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | trans | -94.2 | 142.3 | -172.6 | -72.5 | -174.6 | 176.9 | -166.2 | 0.1 | 113.1 | ||||
| 373 | P | 30.1 | Very low | 31.1 | Very low | 126 Ų | 126 | 158.9 Ų | 158.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -82.6 | 145.5 | 159.4 | 34 | -31.4 | 0 | 0 | 0 | 111.2 | ||||
| 374 | F | 28.4 | Very low | 31.2 | Very low | 196 Ų | 196 | 159.6 Ų | 159.6 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -106.8 | 106.3 | -176.7 | -137.2 | -86.5 | 0 | 0 | 0 | 110.7 | ||||
| 375 | N | 30.8 | Very low | 31 | Very low | 159 Ų | 159 | 160.8 Ų | 160.8 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -171.6 | 92.1 | 164 | -108.1 | -26.2 | 0 | 0 | 0 | 111.1 | ||||
| 376 | Q | 31 | Very low | 31.1 | Very low | 193 Ų | 193 | 159.9 Ų | 159.9 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | 171.3 | 117.6 | 146.6 | -100.5 | 173.4 | 0.2 | 0 | 0 | 111.7 | ||||
| 377 | V | 32.8 | Very low | 31.3 | Very low | 138 Ų | 138 | 162.8 Ų | 162.8 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -143.4 | 81.3 | 158.8 | 177 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 378 | S | 32.8 | Very low | 31.2 | Very low | 101 Ų | 101 | 165.1 Ų | 165.1 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | 101.5 | 102.6 | 84.2 | 65.7 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 379 | K | 29.6 | Very low | 31.4 | Very low | 209 Ų | 209 | 162.5 Ų | 162.5 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -67.2 | 135.7 | 157.2 | -66 | -180 | 176.4 | -177.8 | 0 | 108 | ||||
| 380 | Q | 29.4 | Very low | 31.4 | Very low | 175 Ų | 175 | 165.6 Ų | 165.6 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | 177.3 | 148.7 | 145.9 | -96.3 | -68.2 | -7.4 | 0 | 0 | 108.2 | ||||
| 381 | L | 31.3 | Very low | 31.6 | Very low | 140 Ų | 140 | 161 Ų | 161 | 73% | 0.733 | 82% | 0.821 | S | S | * | * | trans | 93.9 | 134.8 | 174.4 | -53.9 | 177.9 | 0 | 0 | 0 | 119 | ||||
| 382 | F | 32.2 | Very low | 31.5 | Very low | 185 Ų | 185 | 156.4 Ų | 156.4 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | trans | 71.8 | 72.4 | 174 | -55.8 | -68.3 | 0 | 0 | 0 | 118.3 | ||||
| 383 | S | 27.6 | Very low | 31.7 | Very low | 104 Ų | 104 | 151.7 Ų | 151.7 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -60.1 | 141.1 | 134.7 | -52.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 384 | N | 34 | Very low | 31.8 | Very low | 158 Ų | 158 | 153.6 Ų | 153.6 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | trans | -163.8 | 116.6 | 138.9 | -96.4 | -23.6 | 0 | 0 | 0 | 108.8 | ||||
| 385 | E | 30.1 | Very low | 31.9 | Very low | 167 Ų | 167 | 149 Ų | 149 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | trans | -49.9 | 149.6 | 167.9 | -117.1 | 90.1 | 157.5 | 0 | 0 | 112.7 | ||||
| 386 | C | 33.2 | Very low | 32 | Very low | 133 Ų | 133 | 147 Ų | 147 | 90% | 0.899 | 80% | 0.801 | S | S | * | * | -171.4 | 111.2 | 129.1 | -97.3 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 387 | D | 31.5 | Very low | 31.9 | Very low | 147 Ų | 147 | 147.6 Ų | 147.6 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | -65.5 | 140.7 | 167.2 | -77.3 | -65.6 | 0 | 0 | 0 | 112.7 | ||||
| 388 | R | 32.8 | Very low | 32.1 | Very low | 238 Ų | 238 | 146.8 Ų | 146.8 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | 172.1 | 146.3 | 113.8 | -95.6 | 171.7 | 176.9 | 146.3 | 1.2 | 113.8 | |||||
| 389 | P | 34.7 | Very low | 31.9 | Very low | 106 Ų | 106 | 152.6 Ų | 152.6 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | trans | -100.5 | 155.2 | 171.2 | 37.6 | -32.1 | 0 | 0 | 0 | 113.4 | ||||
| 390 | H | 33.7 | Very low | 32 | Very low | 195 Ų | 195 | 153.5 Ų | 153.5 | 90% | 0.903 | 81% | 0.805 | S | S | * | * | trans | 155.2 | 147.3 | 136 | -94.6 | -81.7 | 0 | 0 | 0 | 113.9 | ||||
| 391 | G | 33.5 | Very low | 32.1 | Very low | 63 Ų | 63 | 151.4 Ų | 151.4 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | trans | 90 | 108 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 392 | S | 29.2 | Very low | 32.2 | Very low | 117 Ų | 117 | 150.5 Ų | 150.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | 72.7 | 141.9 | 53.4 | 83.4 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 393 | V | 37 | Very low | 32.2 | Very low | 136 Ų | 136 | 146.2 Ų | 146.2 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | 91.5 | 132.9 | -179.5 | -176.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 394 | E | 31.5 | Very low | 32.5 | Very low | 165 Ų | 165 | 150.2 Ų | 150.2 | 77% | 0.771 | 81% | 0.81 | S | S | * | * | cis | -178.1 | 152.2 | -24.6 | -164.9 | 162.7 | -159.9 | 0 | 0 | 105.7 | ||||
| 395 | S | 30.6 | Very low | 32.2 | Very low | 99 Ų | 99 | 148 Ų | 148 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | trans | 24.8 | 126.3 | 160.9 | 63.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 396 | S | 34 | Very low | 32.3 | Very low | 119 Ų | 119 | 147 Ų | 147 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | -172.3 | 115.8 | 113.6 | -82.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 397 | F | 28.6 | Very low | 32.3 | Very low | 204 Ų | 204 | 146.1 Ų | 146.1 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | -86.5 | 159.6 | 156.7 | -87.5 | -85.7 | 0 | 0 | 0 | 109.2 | ||||
| 398 | P | 36.5 | Very low | 32.4 | Very low | 121 Ų | 121 | 151.1 Ų | 151.1 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | -130.7 | 140.1 | 122.3 | 15.1 | 4 | 0 | 0 | 0 | 113.1 | |||||
| 399 | R | 29 | Very low | 32.3 | Very low | 223 Ų | 223 | 147.6 Ų | 147.6 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | -70.4 | 150.3 | 158.8 | -71.6 | 175.4 | 173.1 | 155 | -3.7 | 109.3 | ||||
| 400 | Y | 31.8 | Very low | 32 | Very low | 229 Ų | 229 | 151.9 Ų | 151.9 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | -126.2 | 123.9 | 147 | -118.5 | -89.8 | 0 | 0 | 0 | 110.2 | ||||
| 401 | N | 30.8 | Very low | 31.9 | Very low | 130 Ų | 130 | 149.9 Ų | 149.9 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | trans | -88.1 | 147.2 | 167.4 | -74.6 | -27.8 | 0 | 0 | 0 | 108.4 | ||||
| 402 | S | 34.6 | Very low | 31.8 | Very low | 121 Ų | 121 | 154 Ų | 154 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | 168.1 | 154 | 104.2 | 53 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 403 | A | 30.9 | Very low | 32.3 | Very low | 95 Ų | 95 | 154.1 Ų | 154.1 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -71.7 | 147.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 404 | Q | 34.8 | Very low | 32.1 | Very low | 189 Ų | 189 | 153.8 Ų | 153.8 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -128.7 | 131.6 | 140 | -75.3 | -165.2 | -7.5 | 0 | 0 | 110.1 | ||||
| 405 | S | 27.8 | Very low | 32.2 | Very low | 110 Ų | 110 | 154.2 Ų | 154.2 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -81.8 | 122.5 | 174.5 | 161.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 406 | L | 32.8 | Very low | 32.2 | Very low | 148 Ų | 148 | 156.8 Ų | 156.8 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | -130.3 | 122.4 | 162.3 | -87.6 | 169.9 | 0 | 0 | 0 | 110.8 | ||||
| 407 | T | 32.9 | Very low | 32.3 | Very low | 113 Ų | 113 | 156.7 Ų | 156.7 | 69% | 0.693 | 80% | 0.802 | S | S | * | * | trans | -72.5 | 124.7 | 175.7 | 43.5 | 0 | 0 | 0 | 0 | 110.3 | Q409 | T407-Q409 PolarHBondContact O-N 3.36Š| ||
| 408 | W | 33.4 | Very low | 32.3 | Very low | 253 Ų | 253 | 155.8 Ų | 155.8 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | trans | -80.4 | 100.3 | 167.5 | -75.8 | 94.8 | 0 | 0 | 0 | 109.6 | ||||
| 409 | Q | 30.1 | Very low | 32.5 | Very low | 164 Ų | 164 | 155.6 Ų | 155.6 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -88.4 | 138.8 | 173.7 | -166.6 | 163.8 | -35.3 | 0 | 0 | 109.2 | T407 | T407-Q409 PolarHBondContact O-N 3.36Š| ||
| 410 | Y | 27.7 | Very low | 32.9 | Very low | 195 Ų | 195 | 151.2 Ų | 151.2 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | trans | -62.9 | 131.6 | 174.7 | -100.2 | -107.5 | 0 | 0 | 0 | 110.6 | ||||
| 411 | D | 31.9 | Very low | 32.9 | Very low | 153 Ų | 153 | 146.6 Ų | 146.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -148.5 | 132.1 | 152.3 | -95.5 | -45.9 | 0 | 0 | 0 | 110.6 | ||||
| 412 | H | 32.3 | Very low | 33.1 | Very low | 151 Ų | 151 | 147.9 Ų | 147.9 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | -97.2 | 127.3 | 178.4 | -79.7 | -88.1 | 0 | 0 | 0 | 110.4 | ||||
| 413 | P | 38.9 | Very low | 33 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -80 | 121.5 | 157.7 | -5.9 | 23.9 | 0 | 0 | 0 | 109.4 | E415 | P413-E415 PolarHBondContact O-N 2.81Š| ||
| 414 | V | 32.2 | Very low | 33.2 | Very low | 129 Ų | 129 | 152.8 Ų | 152.8 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | -86 | 102.7 | 168.9 | 176.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 415 | E | 35.2 | Very low | 33 | Very low | 173 Ų | 173 | 149.5 Ų | 149.5 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | trans | -107.5 | 110.2 | 169.8 | -75.4 | -165.2 | 146.5 | 0 | 0 | 111.6 | P413 C417 | P413-E415 PolarHBondContact O-N 2.81Å; E415-C417 PolarHBondContact O-N 3.35Å | ||
| 416 | N | 30.9 | Very low | 33.5 | Very low | 153 Ų | 153 | 148.6 Ų | 148.6 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -71.7 | 112 | 167.2 | -83.1 | -33 | 0 | 0 | 0 | 109.8 | ||||
| 417 | C | 34.3 | Very low | 33.8 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -128.4 | 106.1 | 163.4 | -83.5 | 0 | 0 | 0 | 0 | 110 | E415 | E415-C417 PolarHBondContact O-N 3.35Š| ||
| 418 | Q | 30.1 | Very low | 33.9 | Very low | 185 Ų | 185 | 148.3 Ų | 148.3 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 130 | 171.7 | -68.7 | -104.5 | -48.2 | 0 | 0 | 109.7 | ||
| 419 | P | 40.8 | Very low | 34.1 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -81 | 123.6 | 163.5 | 30.5 | -28.3 | 0 | 0 | 0 | 109.8 | ||
| 420 | T | 36.7 | Very low | 34.5 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 146.5 | 176.3 | 39.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 421 | V | 32.2 | Very low | 34.7 | Very low | 131 Ų | 131 | 141 Ų | 141 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 117 | -178.9 | -170.1 | 0 | 0 | 0 | 0 | 109.8 | ||
| 422 | D | 34.8 | Very low | 34.8 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -113.3 | 129.8 | 163.7 | -96 | -44.7 | 0 | 0 | 0 | 110.8 | ||||
| 423 | T | 31.5 | Very low | 34.9 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 66% | 0.663 | 80% | 0.799 | S | S | * | * | trans | -102.4 | 114.4 | -167.9 | -62.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 424 | F | 36.8 | Very low | 34.9 | Very low | 212 Ų | 212 | 141.8 Ų | 141.8 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | trans | -137.5 | 120.6 | 160.9 | -95.2 | -81.7 | 0 | 0 | 0 | 111.9 | ||||
| 425 | S | 30.7 | Very low | 35.2 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -73.5 | 138.6 | -176.3 | -60.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 426 | A | 36.9 | Very low | 35.1 | Very low | 92 Ų | 92 | 141.9 Ų | 141.9 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -132.3 | 143.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 427 | P | 39.4 | Very low | 35.4 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 155.9 | -167.5 | 31.6 | -36.1 | 0 | 0 | 0 | 113.5 | ||
| 428 | P | 35.8 | Very low | 35.3 | Very low | 131 Ų | 131 | 143.6 Ų | 143.6 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78 | 130.5 | -176.1 | 31.4 | -34.1 | 0 | 0 | 0 | 112 | ||
| 429 | S | 37.3 | Very low | 35.7 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 143.9 | 164.1 | 64.1 | 0 | 0 | 0 | 0 | 110.9 | Y431 | S429-Y431 PolarHBondContact O-N 3.1Š|
| 430 | V | 38 | Very low | 35.4 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 121 | -162.4 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | Y432 | V430-Y432 HydrophobicContact CG1-CD2 4.41Š|
| 431 | Y | 32.5 | Very low | 35.2 | Very low | 221 Ų | 221 | 143.2 Ų | 143.2 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81 | 118.7 | 163 | -101.6 | -94.2 | 0 | 0 | 0 | 110.3 | S429 | S429-Y431 PolarHBondContact O-N 3.1Š|
| 432 | Y | 33.6 | Very low | 35.5 | Very low | 217 Ų | 217 | 142.9 Ų | 142.9 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 120.7 | 165.5 | -124.5 | -93.1 | 0 | 0 | 0 | 109.1 | V430 | V430-Y432 HydrophobicContact CG1-CD2 4.41Š|
| 433 | S | 34.2 | Very low | 35.5 | Very low | 92 Ų | 92 | 140.3 Ų | 140.3 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | trans | -127 | 118.9 | 177.7 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | S435 | S433-S435 PolarHBondContact O-N 3.37Š| ||
| 434 | P | 39.7 | Very low | 35.8 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | trans | -81.5 | 84.4 | 175.5 | 2.8 | 14.5 | 0 | 0 | 0 | 109.7 | ||||
| 435 | S | 37.4 | Very low | 36.3 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | -78.2 | 138.9 | 169.7 | 46.8 | 0 | 0 | 0 | 0 | 111.3 | S433 Q437 | S433-S435 PolarHBondContact O-N 3.37Å; S435-Q437 PolarHBondContact O-N 3.5Å | ||
| 436 | K | 34 | Very low | 36.9 | Very low | 202 Ų | 202 | 136.2 Ų | 136.2 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | trans | -52.4 | 133.3 | -178.7 | -60 | 171.2 | 179.1 | 177.6 | 0 | 111.9 | ||||
| 437 | Q | 37.1 | Very low | 36.9 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -114.5 | 114.6 | 158.3 | -75.6 | -170.6 | -8.5 | 0 | 0 | 110.3 | S435 | S435-Q437 PolarHBondContact O-N 3.5Š| ||
| 438 | T | 32 | Very low | 37 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | trans | -91.9 | 119.5 | 161.8 | -60.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 439 | M | 38.6 | Very low | 37.1 | Very low | 176 Ų | 176 | 142 Ų | 142 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | -142.3 | 153.9 | 164.3 | -88.2 | -66.6 | 106.1 | 0 | 0 | 109.1 | ||||
| 440 | S | 34.2 | Very low | 37.2 | Very low | 86 Ų | 86 | 140.7 Ų | 140.7 | 60% | 0.601 | 78% | 0.779 | S | S | * | * | trans | -127.1 | 144.9 | -145.3 | -43.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 441 | L | 32.7 | Very low | 37 | Very low | 163 Ų | 163 | 140 Ų | 140 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | 65.9 | 139 | 161.4 | -52.5 | 167 | 0 | 0 | 0 | 114.3 | ||||
| 442 | T | 37.6 | Very low | 37.2 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | -158.1 | 156.7 | 52.4 | 41.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 443 | S | 36.1 | Very low | 37.6 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | 12.3 | 138.4 | 149.9 | 58.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 444 | S | 38.3 | Very low | 37.6 | Very low | 118 Ų | 118 | 137 Ų | 137 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | cis | -169.7 | 174.2 | 35.2 | -114.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 445 | P | 46.6 | Very low | 37.5 | Very low | 107 Ų | 107 | 137 Ų | 137 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | trans | -114.7 | 175.4 | -159.4 | 42.2 | -34.7 | 0 | 0 | 0 | 116.2 | ||||
| 446 | T | 43.2 | Very low | 37.4 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | 174.5 | 161 | 126.8 | 28 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 447 | N | 37.5 | Very low | 37.4 | Very low | 147 Ų | 147 | 134 Ų | 134 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | 75.8 | 101.9 | 172.6 | -60.6 | -30.3 | 0 | 0 | 0 | 116.3 | ||||
| 448 | T | 41.1 | Very low | 37.3 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | cis | 88 | 94.1 | 25.7 | -44.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 449 | F | 37.7 | Very low | 37.3 | Very low | 203 Ų | 203 | 135 Ų | 135 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | trans | 173.8 | 142 | 132.5 | -123.7 | -101.7 | 0 | 0 | 0 | 109.1 | ||||
| 450 | A | 39.6 | Very low | 37.1 | Very low | 82 Ų | 82 | 131.9 Ų | 131.9 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | cis | -155.4 | 147.3 | -32.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 451 | S | 32.6 | Very low | 36.9 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -96.3 | 144.1 | -177.7 | -51.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 452 | V | 37.7 | Very low | 37.3 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | -143 | 116.4 | 156.1 | -171.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 453 | P | 41 | Very low | 37.3 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 69% | 0.688 | 75% | 0.753 | S | S | * | * | trans | -127.8 | 130.3 | 169.9 | 36.1 | -22.3 | 0 | 0 | 0 | 113.6 | ||||
| 454 | Y | 35.5 | Very low | 37.2 | Very low | 211 Ų | 211 | 135.5 Ų | 135.5 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | trans | 169.8 | 155.8 | 155.6 | -117.9 | -123.5 | 0 | 0 | 0 | 106.4 | ||||
| 455 | K | 37.7 | Very low | 36.9 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 56% | 0.561 | 77% | 0.765 | S | S | * | * | cis | 168.6 | 157.5 | -21.5 | -155.3 | -179.3 | 167 | -159 | 0 | 105 | ||||
| 456 | D | 34.5 | Very low | 36.6 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 65% | 0.652 | 76% | 0.758 | S | S | * | * | trans | 70.3 | 131.8 | 156.3 | -63.6 | -35.6 | 0 | 0 | 0 | 121.5 | ||||
| 457 | V | 35.3 | Very low | 36.1 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | 91.7 | 110.3 | 133.9 | 159 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 458 | Y | 33.8 | Very low | 36.1 | Very low | 192 Ų | 192 | 140.7 Ų | 140.7 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | trans | 89.4 | 116.1 | 142.9 | -85.4 | -130.4 | 0 | 0 | 0 | 123.1 | ||||
| 459 | I | 33 | Very low | 35.6 | Very low | 134 Ų | 134 | 145.9 Ų | 145.9 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | 36.8 | 108.3 | 127.3 | -44.6 | 179.9 | 0 | 0 | 0 | 118 | |||||
| 460 | S | 33.4 | Very low | 35.6 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | 171.7 | 136.4 | 119.1 | -76.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 461 | S | 29.9 | Very low | 35.4 | Very low | 118 Ų | 118 | 149.1 Ų | 149.1 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -77.5 | 143.5 | 171.9 | -51.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 462 | P | 40.8 | Very low | 35.5 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | trans | -126.4 | 115.3 | 136.7 | 27.4 | -12.8 | 0 | 0 | 0 | 109.6 | ||||
| 463 | S | 37.3 | Very low | 35.5 | Very low | 105 Ų | 105 | 147.1 Ų | 147.1 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | 69.1 | 96.5 | 73.9 | -63.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 464 | R | 34 | Very low | 35.3 | Very low | 213 Ų | 213 | 148.4 Ų | 148.4 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | 65.5 | 96 | 131 | -166.5 | -170 | -72.3 | -166.8 | -4 | 117.3 | T466 | R464-T466 HydrophobicContact CG-CG2 3.66Š| ||
| 465 | W | 33.5 | Very low | 35.5 | Very low | 265 Ų | 265 | 143.4 Ų | 143.4 | 100% | 1.004 | 74% | 0.743 | S | S | * | * | trans | -81 | 124.2 | 144 | -86.7 | 64.8 | 0 | 0 | 0 | 109 | ||||
| 466 | T | 38.6 | Very low | 35.6 | Very low | 89 Ų | 89 | 142.5 Ų | 142.5 | 55% | 0.546 | 75% | 0.753 | S | S | . | * | trans | -89.8 | 132.6 | -172.3 | 45.6 | 0 | 0 | 0 | 0 | 112.4 | R464 T468 | R464-T466 HydrophobicContact CG-CG2 3.66Å; T466-T468 WeakPolarHBondContact CB-OG1 3.4Å; T466-T468 PolarHBondContact OG1-OG1 3.31Å | ||
| 467 | N | 32.9 | Very low | 35.7 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | trans | -81.1 | 111.1 | 156.7 | -148.7 | -12.2 | 0 | 0 | 0 | 106.9 | ||||
| 468 | T | 38.2 | Very low | 36 | Very low | 86 Ų | 86 | 145.8 Ų | 145.8 | 53% | 0.528 | 76% | 0.757 | S | S | . | * | trans | -130.6 | 98.2 | -176.9 | -45.4 | 0 | 0 | 0 | 0 | 110.5 | T466 Q470 | T466-T468 WeakPolarHBondContact CB-OG1 3.4Å; T466-T468 PolarHBondContact OG1-OG1 3.31Å; T468-Q470 HydrophobicContact CG2-CB 4.28Å | ||
| 469 | Y | 29.7 | Very low | 36.4 | Very low | 229 Ų | 229 | 143.3 Ų | 143.3 | 90% | 0.898 | 76% | 0.757 | S | S | * | * | trans | -91.8 | 112.9 | 163.4 | -127.8 | -92.8 | 0 | 0 | 0 | 107.1 | ||||
| 470 | Q | 38.1 | Very low | 36.7 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | -147.3 | 105.2 | 176.7 | -137.3 | 145 | 4.1 | 0 | 0 | 113.5 | T468 | T468-Q470 HydrophobicContact CG2-CB 4.28Š| ||
| 471 | Q | 35.1 | Very low | 37.1 | Very low | 193 Ų | 193 | 142.6 Ų | 142.6 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | trans | 10.3 | 135.8 | 148.5 | -62.8 | 173 | -18.7 | 0 | 0 | 120.1 | ||||
| 472 | G | 34.5 | Very low | 37.6 | Very low | 60 Ų | 60 | 146.2 Ų | 146.2 | 62% | 0.619 | 76% | 0.757 | S | S | * | * | trans | 161.9 | 114.7 | 138.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 473 | I | 38.6 | Very low | 37.4 | Very low | 161 Ų | 161 | 150.1 Ų | 150.1 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | 64.1 | 123.6 | 126.4 | -60.3 | 159.7 | 0 | 0 | 0 | 115.9 | |||||
| 474 | D | 36.5 | Very low | 37.6 | Very low | 133 Ų | 133 | 152 Ų | 152 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | cis | -164.9 | 169.8 | 15.4 | -136 | -21.9 | 0 | 0 | 0 | 115.4 | ||||
| 475 | T | 40.6 | Very low | 37.9 | Very low | 106 Ų | 106 | 147.1 Ų | 147.1 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | trans | 61.4 | 112.9 | 150.6 | 54.7 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 476 | S | 38.6 | Very low | 38.2 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | 73.8 | 150.1 | 133.7 | 84.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 477 | R | 36.3 | Very low | 38.4 | Very low | 223 Ų | 223 | 147.7 Ų | 147.7 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | cis | -161.2 | 148.1 | 6 | -141.3 | 174.2 | -169.6 | 178.6 | 2.7 | 108.7 | ||||
| 478 | S | 43.5 | Very low | 38.8 | Very low | 89 Ų | 89 | 145.1 Ų | 145.1 | 62% | 0.622 | 76% | 0.759 | S | S | * | * | trans | 37 | 142 | 142.5 | 62.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 479 | N | 40.7 | Very low | 39.2 | Very low | 139 Ų | 139 | 146.4 Ų | 146.4 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | cis | 177.1 | 169 | 7.4 | -110.3 | -17.5 | 0 | 0 | 0 | 108.5 | ||||
| 480 | I | 39.9 | Very low | 40.5 | Very low | 143 Ų | 143 | 144.9 Ų | 144.9 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | 63.2 | 106 | 153.5 | -63.9 | 154.6 | 0 | 0 | 0 | 115.6 | ||||
| 481 | A | 41.1 | Very low | 40.7 | Very low | 87 Ų | 87 | 144.1 Ų | 144.1 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | 78.3 | 146.5 | 58.2 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 482 | K | 41.5 | Very low | 41 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | 89.2 | 107 | -177.1 | -55.3 | 175.3 | -178.1 | 179.8 | 0 | 114 | ||||
| 483 | F | 35.9 | Very low | 41.3 | Very low | 199 Ų | 199 | 146.1 Ų | 146.1 | 87% | 0.873 | 79% | 0.792 | S | S | * | * | 52.3 | 103.2 | 68.9 | -96.7 | -85.8 | 0 | 0 | 0 | 114.6 | |||||
| 484 | T | 42.5 | Very low | 41.5 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | -159.8 | 140.8 | 126.7 | 12.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 485 | V | 39.4 | Very low | 41.8 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 67% | 0.673 | 80% | 0.795 | S | S | * | * | trans | -96.8 | 144.2 | 174 | 169.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 486 | Y | 41 | Very low | 41.9 | Very low | 204 Ų | 204 | 148.6 Ų | 148.6 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -167.6 | 107.2 | 147.8 | -92.8 | -71.5 | 0 | 0 | 0 | 107.1 | ||||
| 487 | Q | 42.5 | Very low | 42.1 | Very low | 162 Ų | 162 | 151.3 Ų | 151.3 | 76% | 0.757 | 81% | 0.807 | S | S | * | * | 62.2 | 111.7 | 94.3 | -72.3 | -173.7 | -34.3 | 0 | 0 | 116.1 | |||||
| 488 | S | 39.6 | Very low | 42.5 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -66.3 | 175.5 | 149.5 | -21.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 489 | P | 47 | Very low | 42.5 | Very low | 114 Ų | 114 | 150.5 Ų | 150.5 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | cis | -139.4 | -157.7 | 35.1 | 42.5 | -18.8 | 0 | 0 | 0 | 112.7 | ||||
| 490 | P | 58.5 | Low | 42.6 | Very low | 196 Ų | 196 | 151.5 Ų | 151.5 | 100% | 1.273 | 83% | 0.826 | S | S | * | * | -108.4 | 0 | 55.9 | 37.8 | -35.4 | 0 | 0 | 0 | 115.5 |
Retrieved 490 of 490 residues in 1115.6 ms
(Link to these results)