| 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 | 32.8 | Very low | 31.5 | Very low | 220 Ų | 220 | 153.4 Ų | 153.4 | 100% | 1.084 | 78% | 0.775 | S | S | * | * | 0 | 70.7 | 0 | -55.3 | -63.7 | -99.3 | 0 | 0 | 106.7 | |||||
| 2 | E | 37.7 | Very low | 31.1 | Very low | 160 Ų | 160 | 150.4 Ų | 150.4 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | 64.9 | 102.4 | 80.2 | -68.9 | -176.9 | 151 | 0 | 0 | 112.5 | |||||
| 3 | N | 28.5 | Very low | 31.2 | Very low | 138 Ų | 138 | 148.9 Ų | 148.9 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | 161.2 | 113.4 | 105 | -84.1 | -29.9 | 0 | 0 | 0 | 108.3 | |||||
| 4 | K | 29.4 | Very low | 31 | Very low | 195 Ų | 195 | 146.9 Ų | 146.9 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | 55.4 | 127.2 | 73.9 | -98.4 | -179.9 | 177.4 | 177.2 | 0 | 113.7 | |||||
| 5 | A | 35 | Very low | 31 | Very low | 91 Ų | 91 | 147 Ų | 147 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | 75.7 | 147.5 | 150.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 6 | M | 29.6 | Very low | 31.7 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | cis | 169.6 | 129.4 | -0.1 | 163.4 | -174.3 | -66.3 | 0 | 0 | 103.6 | ||||
| 7 | Y | 27.6 | Very low | 32.3 | Very low | 245 Ų | 245 | 144.6 Ų | 144.6 | 96% | 0.961 | 78% | 0.784 | S | S | * | * | trans | -143.3 | 89.5 | 147.1 | -96.7 | -75.4 | 0 | 0 | 0 | 107.4 | ||||
| 8 | L | 34 | Very low | 32.3 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 70% | 0.696 | 78% | 0.779 | S | S | * | * | trans | -112.1 | 144.3 | 156.2 | -129.3 | 162 | 0 | 0 | 0 | 104.8 | ||||
| 9 | H | 32.4 | Very low | 32.3 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 70% | 0.704 | 78% | 0.777 | S | S | * | * | trans | 152.9 | 128.8 | 151.9 | -86 | -60.8 | 0 | 0 | 0 | 107.4 | ||||
| 10 | T | 28.2 | Very low | 32.1 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | cis | -151.5 | 135.8 | 32.7 | 42 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 11 | V | 31.7 | Very low | 32.1 | Very low | 89 Ų | 89 | 142 Ų | 142 | 54% | 0.539 | 78% | 0.775 | S | S | . | * | 67.5 | 111 | 53.4 | -173.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 12 | S | 26.8 | Very low | 31.9 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | -141.4 | 93.1 | 139.5 | -50.3 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 13 | D | 31.8 | Very low | 31.7 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | 76.6 | 96.8 | 96.4 | -74.6 | -14.7 | 0 | 0 | 0 | 112.6 | |||||
| 14 | C | 28.3 | Very low | 31.8 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -136.4 | 107 | 151.4 | -97.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 15 | D | 31.7 | Very low | 32.1 | Very low | 148 Ų | 148 | 136 Ų | 136 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -63.3 | 144.8 | 178.7 | -80.9 | -44.2 | 0 | 0 | 0 | 112.5 | ||||
| 16 | T | 41.8 | Very low | 32.4 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -57 | 140.9 | 164.9 | 33.7 | 0 | 0 | 0 | 0 | 112.2 | ||
| 17 | S | 42 | Very low | 32.9 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 95.5 | 39.6 | 172 | 78.4 | 0 | 0 | 0 | 0 | 118.5 | ||
| 18 | S | 31.3 | Very low | 33.2 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -157.4 | 140.6 | 143.2 | 54 | 0 | 0 | 0 | 0 | 110.3 | C20 | S18-C20 PolarHBondContact O-N 2.92Å; S18-C20 VanDerWaalsContact O-N 3.12Å |
| 19 | I | 32.7 | Very low | 33.4 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | -46.8 | 113.6 | 168.4 | -67.4 | 157.5 | 0 | 0 | 0 | 109 | E21 | I19-E21 HydrophobicContact CG2-CB 4.37Å; I19-E21 HydrophobicContact CG2-CG 3.85Å; I19-E21 PolarHBondContact O-N 3.39Å | ||
| 20 | C | 28.7 | Very low | 33.8 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 70% | 0.703 | 77% | 0.765 | S | S | * | * | trans | -84.3 | 89.1 | 157.9 | -74.7 | 0 | 0 | 0 | 0 | 107 | S18 D22 | S18-C20 PolarHBondContact O-N 2.92Å; S18-C20 VanDerWaalsContact O-N 3.12Å; C20-D22 PolarHBondContact O-N 3.24Å | ||
| 21 | E | 32.8 | Very low | 34.2 | Very low | 173 Ų | 173 | 134.7 Ų | 134.7 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | -65.2 | 101.5 | 155.3 | -92.3 | 174.1 | 131 | 0 | 0 | 107.2 | I19 S23 | I19-E21 HydrophobicContact CG2-CB 4.37Å; I19-E21 HydrophobicContact CG2-CG 3.85Å; I19-E21 PolarHBondContact O-N 3.39Å; E21-S23 VanDerWaalsContact C-N 3.33Å; E21-S23 PolarHBondContact O-N 2.97Å; E21-S23 VanDerWaalsContact O-N 3.09Å | ||
| 22 | D | 27.5 | Very low | 34.5 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | -69.6 | 102.5 | 154.3 | -85.2 | -29.4 | 0 | 0 | 0 | 106.8 | C20 F24 | C20-D22 PolarHBondContact O-N 3.24Å; D22-F24 PolarHBondContact O-N 3.32Å | ||
| 23 | S | 33.5 | Very low | 35.3 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -58.7 | 104.2 | 167.1 | -165.6 | 0 | 0 | 0 | 0 | 107.6 | E21 D25 | E21-S23 VanDerWaalsContact C-N 3.33Å; E21-S23 PolarHBondContact O-N 2.97Å; E21-S23 VanDerWaalsContact O-N 3.09Å; S23-D25 VanDerWaalsContact C-N 3.28Å; S23-D25 PolarHBondContact O-N 3.48Å | ||
| 24 | F | 31.3 | Very low | 35.9 | Very low | 190 Ų | 190 | 140 Ų | 140 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | trans | -67.5 | 93.9 | 172.1 | -162.3 | -94.6 | 0 | 0 | 0 | 107.5 | D22 G26 | D22-F24 PolarHBondContact O-N 3.32Å; F24-G26 PolarHBondContact O-N 3.4Å | ||
| 25 | D | 35.3 | Very low | 36.1 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 68% | 0.684 | 79% | 0.785 | S | S | * | * | trans | -63.5 | 105.2 | 176.7 | -143.8 | -10.7 | 0 | 0 | 0 | 107.6 | S23 R27 | S23-D25 VanDerWaalsContact C-N 3.28Å; S23-D25 PolarHBondContact O-N 3.48Å; D25-R27 PolarHBondContact O-N 3.01Å | ||
| 26 | G | 40.8 | Very low | 36.5 | Very low | 67 Ų | 67 | 142.7 Ų | 142.7 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | -70.3 | 49.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F24 | F24-G26 PolarHBondContact O-N 3.4Š| ||
| 27 | R | 40 | Very low | 36.3 | Very low | 211 Ų | 211 | 144.6 Ų | 144.6 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | -127.9 | 60 | 177.3 | -68.6 | -170 | -146 | -131.5 | 1.5 | 112 | D25 | D25-R27 PolarHBondContact O-N 3.01Š| ||
| 28 | S | 35.4 | Very low | 36.4 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -160.3 | 33.6 | 150.4 | -158.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 29 | L | 38.2 | Very low | 36.8 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -101.6 | 19.9 | 164.3 | -69.3 | 178.1 | 0 | 0 | 0 | 112.4 | K31 | L29-K31 VanDerWaalsContact C-N 3.32Å; L29-K31 PolarHBondContact O-N 3.16Å | ||
| 30 | S | 39.1 | Very low | 36.9 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 44.2 | 178.8 | -45.6 | 0 | 0 | 0 | 0 | 112.7 | ||
| 31 | K | 37.6 | Very low | 37.4 | Very low | 200 Ų | 200 | 145.5 Ų | 145.5 | 87% | 0.87 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144 | 28.8 | 170.5 | -77 | -166.8 | 179.9 | 169.8 | 0 | 114.4 | L29 | L29-K31 VanDerWaalsContact C-N 3.32Å; L29-K31 PolarHBondContact O-N 3.16Å |
| 32 | L | 37.7 | Very low | 38.1 | Very low | 149 Ų | 149 | 146.3 Ų | 146.3 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | trans | -98.5 | 88.4 | 154.7 | -95.3 | 131.5 | 0 | 0 | 0 | 107.6 | L34 | L32-L34 HydrophobicContact CD2-CD1 4.31Å; L32-L34 PolarHBondContact O-N 3.4Å | ||
| 33 | N | 43.8 | Very low | 38.6 | Very low | 160 Ų | 160 | 150.1 Ų | 150.1 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -60 | 102.5 | 166 | -79.5 | -22.6 | 0 | 0 | 0 | 108.6 | ||||
| 34 | L | 44.5 | Very low | 38.6 | Very low | 142 Ų | 142 | 156.6 Ų | 156.6 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | trans | -133.4 | 105.8 | 155.3 | -94.5 | 108.4 | 0 | 0 | 0 | 108.9 | L32 | L32-L34 HydrophobicContact CD2-CD1 4.31Å; L32-L34 PolarHBondContact O-N 3.4Å | ||
| 35 | C | 32.5 | Very low | 38.9 | Very low | 123 Ų | 123 | 152.3 Ų | 152.3 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | trans | 58.4 | 105 | 161.8 | -58.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 36 | E | 39.5 | Very low | 39.3 | Very low | 201 Ų | 201 | 151.9 Ų | 151.9 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | trans | -82.9 | 134.4 | 166.4 | -151.9 | 175.1 | -172.5 | 0 | 0 | 109.8 | ||||
| 37 | D | 39.1 | Very low | 39.4 | Very low | 169 Ų | 169 | 154.8 Ų | 154.8 | 90% | 0.904 | 83% | 0.831 | S | S | * | * | trans | -73.4 | 131 | -175.2 | -75.7 | -54.9 | 0 | 0 | 0 | 113.5 | ||||
| 38 | G | 43.4 | Very low | 39.1 | Very low | 57 Ų | 57 | 150.7 Ų | 150.7 | 59% | 0.588 | 83% | 0.833 | S | S | * | * | trans | -131.9 | 148 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | C40 | G38-C40 PolarHBondContact O-N 3.5Š| ||
| 39 | P | 39.9 | Very low | 39.2 | Very low | 129 Ų | 129 | 151 Ų | 151 | 84% | 0.838 | 83% | 0.834 | S | S | * | * | trans | -74.3 | 113.9 | -164.8 | 28 | -32.8 | 0 | 0 | 0 | 112.9 | H41 | P39-H41 PolarHBondContact O-N 3.5Š| ||
| 40 | C | 34.4 | Very low | 39.4 | Very low | 133 Ų | 133 | 150.3 Ų | 150.3 | 90% | 0.899 | 84% | 0.836 | S | S | * | * | trans | -77.1 | 108.6 | 174.4 | -94.3 | 0 | 0 | 0 | 0 | 112 | G38 | G38-C40 PolarHBondContact O-N 3.5Š| ||
| 41 | H | 39.6 | Very low | 40 | Very low | 176 Ų | 176 | 152.9 Ų | 152.9 | 82% | 0.815 | 84% | 0.836 | S | S | * | * | trans | -90.4 | 120.1 | 163.1 | -87.1 | -54.9 | 0 | 0 | 0 | 111.8 | P39 | P39-H41 PolarHBondContact O-N 3.5Š| ||
| 42 | K | 46.3 | Very low | 40.4 | Very low | 189 Ų | 189 | 152.3 Ų | 152.3 | 82% | 0.822 | 84% | 0.841 | S | S | * | * | S | Bend | trans | 29.6 | 102.1 | 151.1 | -67.5 | -179.8 | 178.5 | 175.3 | 0 | 117.9 | ||
| 43 | R | 38.1 | Very low | 40.8 | Very low | 240 Ų | 240 | 147.3 Ų | 147.3 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | 163.2 | 139.9 | 110.4 | -90.5 | 173.8 | -174.6 | -174.9 | 2.7 | 111.9 | |||||
| 44 | R | 33.3 | Very low | 41.5 | Very low | 245 Ų | 245 | 143.8 Ų | 143.8 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | trans | 80.5 | 112.6 | 167.8 | -68.5 | 179.9 | 175.4 | 171.9 | -1.7 | 116.8 | ||||
| 45 | A | 39.6 | Very low | 42.2 | Very low | 100 Ų | 100 | 143.1 Ų | 143.1 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | -73.5 | 124.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 46 | S | 43.1 | Very low | 43.6 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | 164.3 | 88.5 | 124.1 | 61.3 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 47 | S | 42.6 | Very low | 44.8 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | trans | 161.6 | 99.4 | 149.9 | -174 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 48 | C | 34.1 | Very low | 46.3 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | -145 | 131.4 | 162.6 | -157.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 49 | C | 36.8 | Very low | 47.8 | Very low | 120 Ų | 120 | 135 Ų | 135 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | -34.2 | 123.2 | -169.3 | -62.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 50 | T | 43 | Very low | 49.7 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | trans | -87.4 | 96.9 | 159.2 | 50.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 51 | Q | 51.6 | Low | 51.8 | Low | 163 Ų | 163 | 132 Ų | 132 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | trans | -148 | 68.2 | 168.3 | -146 | 169.7 | -1.2 | 0 | 0 | 111.6 | ||||
| 52 | L | 45.9 | Very low | 53.9 | Low | 187 Ų | 187 | 126.9 Ų | 126.9 | 98% | 0.979 | 71% | 0.711 | S | S | * | * | trans | -133.1 | 93.6 | 158.6 | -105.3 | 109.8 | 0 | 0 | 0 | 108 | ||||
| 53 | G | 45.4 | Very low | 55.9 | Low | 45 Ų | 45 | 123.6 Ų | 123.6 | 46% | 0.464 | 70% | 0.701 | S | S | . | * | S | Bend | trans | -175.1 | -20.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | S56 A57 | G53-S56 PolarHBondContact O-OG 3.34Å; G53-A57 VanDerWaalsContact O-CB 3.3Å; G53-A57 WeakPolarHBondContact O-CB 3.32Å; G53-A57 PolarHBondContact O-N 3.49Å |
| 54 | S | 58.5 | Low | 58.2 | Low | 86 Ų | 86 | 114.1 Ų | 114.1 | 60% | 0.601 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -80.1 | -32.3 | -173.1 | 175.5 | 0 | 0 | 0 | 0 | 114.2 | L58 | S54-L58 WeakPolarHBondContact O-CB 3.45Å; S54-L58 PolarHBondContact O-N 2.99Å |
| 55 | L | 59.1 | Low | 60.8 | Low | 128 Ų | 128 | 107.9 Ų | 107.9 | 67% | 0.67 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -79.8 | -33.1 | -174.5 | -139.7 | 119 | 0 | 0 | 0 | 113 | K59 | L55-K59 WeakPolarHBondContact O-CG 3.29Å; L55-K59 PolarHBondContact O-N 3.46Å |
| 56 | S | 63.1 | Low | 63.3 | Low | 68 Ų | 68 | 111.2 Ų | 111.2 | 48% | 0.476 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -69.3 | -45.3 | 169.8 | 53.9 | 0 | 0 | 0 | 0 | 110.2 | G53 L58 K59 H60 | G53-S56 PolarHBondContact O-OG 3.34Å; S56-L58 VanDerWaalsContact C-N 3.29Å; S56-L58 PolarHBondContact O-N 3.48Å; S56-K59 PolarHBondContact O-N 3.1Å; S56-K59 VanDerWaalsContact O-N 3.15Å; S56-H60 PolarHBondContact O-N 2.72Å; S56-H60 PolarHBondContact O-ND1 3.49Å |
| 57 | A | 63.4 | Low | 65.6 | Low | 56 Ų | 56 | 110.3 Ų | 110.3 | 46% | 0.463 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -57.5 | -41 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G53 H60 A61 | G53-A57 VanDerWaalsContact O-CB 3.3Å; G53-A57 WeakPolarHBondContact O-CB 3.32Å; G53-A57 PolarHBondContact O-N 3.49Å; A57-H60 PolarHBondContact O-N 2.96Å; A57-A61 WeakPolarHBondContact O-CB 3.45Å; A57-A61 PolarHBondContact O-N 3.11Å |
| 58 | L | 70.3 | Confident | 67.9 | Low | 111 Ų | 111 | 109 Ų | 109 | 58% | 0.581 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.6 | -43.2 | 176.6 | -171.5 | 68 | 0 | 0 | 0 | 112.1 | S54 S56 H60 A61 V62 | S54-L58 WeakPolarHBondContact O-CB 3.45Å; S54-L58 PolarHBondContact O-N 2.99Å; S56-L58 VanDerWaalsContact C-N 3.29Å; S56-L58 PolarHBondContact O-N 3.48Å; L58-H60 VanDerWaalsContact C-N 3.31Å; L58-H60 PolarHBondContact O-N 3.06Å; L58-A61 PolarHBondContact O-N 3Å; L58-V62 VanDerWaalsContact O-CG2 3.3Å; L58-V62 WeakPolarHBondContact O-CG2 3.46Å; L58-V62 PolarHBondContact O-N 3.47Å |
| 59 | K | 76.4 | Confident | 70.5 | Confident | 144 Ų | 144 | 106.6 Ų | 106.6 | 63% | 0.626 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -60.6 | -40.9 | 175.8 | -74.9 | 179.9 | 176.6 | -175.6 | 0 | 112 | L55 S56 L63 | L55-K59 WeakPolarHBondContact O-CG 3.29Å; L55-K59 PolarHBondContact O-N 3.46Å; S56-K59 PolarHBondContact O-N 3.1Å; S56-K59 VanDerWaalsContact O-N 3.15Å; K59-L63 WeakPolarHBondContact O-CB 3.35Å; K59-L63 PolarHBondContact O-N 3.41Å |
| 60 | H | 79.7 | Confident | 73.1 | Confident | 137 Ų | 137 | 107 Ų | 107 | 63% | 0.634 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.8 | -34.5 | 179 | -67.7 | 68.8 | 0 | 0 | 0 | 112 | S56 A57 L58 L63 G64 | S56-H60 PolarHBondContact O-N 2.72Å; S56-H60 PolarHBondContact O-ND1 3.49Å; A57-H60 PolarHBondContact O-N 2.96Å; L58-H60 VanDerWaalsContact C-N 3.31Å; L58-H60 PolarHBondContact O-N 3.06Å; H60-L63 PolarHBondContact O-N 2.94Å; H60-G64 PolarHBondContact O-N 3.26Å |
| 61 | A | 77.8 | Confident | 75.4 | Confident | 62 Ų | 62 | 105 Ų | 105 | 51% | 0.512 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.9 | -43.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A57 L58 G64 L65 | A57-A61 WeakPolarHBondContact O-CB 3.45Å; A57-A61 PolarHBondContact O-N 3.11Å; L58-A61 PolarHBondContact O-N 3Å; A61-G64 PolarHBondContact O-N 3.34Å; A61-L65 PolarHBondContact O-N 3.12Å |
| 62 | V | 84 | Confident | 77.2 | Confident | 69 Ų | 69 | 101.6 Ų | 101.6 | 42% | 0.418 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.3 | -45.5 | 175.7 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | L58 G64 L65 Y66 | L58-V62 VanDerWaalsContact O-CG2 3.3Å; L58-V62 WeakPolarHBondContact O-CG2 3.46Å; L58-V62 PolarHBondContact O-N 3.47Å; V62-G64 VanDerWaalsContact C-N 3.29Å; V62-G64 PolarHBondContact O-N 3.08Å; V62-L65 WeakPolarHBondContact O-CB 3.45Å; V62-L65 PolarHBondContact O-N 3.25Å; V62-Y66 HydrophobicContact CG1-CD2 3.8Å; V62-Y66 HydrophobicContact CG1-CE2 3.55Å; V62-Y66 WeakPolarHBondContact O-CD2 3.33Å; V62-Y66 PolarHBondContact O-N 3.12Å |
| 63 | L | 88.1 | Confident | 79.2 | Confident | 120 Ų | 120 | 97.8 Ų | 97.8 | 63% | 0.628 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.6 | -40.2 | 176.2 | -149.1 | 86.2 | 0 | 0 | 0 | 111.8 | K59 H60 Y66 L67 | K59-L63 WeakPolarHBondContact O-CB 3.35Å; K59-L63 PolarHBondContact O-N 3.41Å; H60-L63 PolarHBondContact O-N 2.94Å; L63-Y66 PolarHBondContact O-N 2.98Å; L63-L67 WeakPolarHBondContact O-CB 3.47Å; L63-L67 PolarHBondContact O-N 2.96Å |
| 64 | G | 87.4 | Confident | 81.4 | Confident | 41 Ų | 41 | 98 Ų | 98 | 42% | 0.423 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H60 A61 V62 L67 L68 | H60-G64 PolarHBondContact O-N 3.26Å; A61-G64 PolarHBondContact O-N 3.34Å; V62-G64 VanDerWaalsContact C-N 3.29Å; V62-G64 PolarHBondContact O-N 3.08Å; G64-L67 PolarHBondContact O-N 2.97Å; G64-L68 WeakPolarHBondContact O-CB 3.4Å; G64-L68 PolarHBondContact O-N 2.75Å |
| 65 | L | 87.3 | Confident | 82.7 | Confident | 114 Ų | 114 | 95.3 Ų | 95.3 | 60% | 0.597 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.3 | -44.3 | 175.7 | -162.5 | 86.8 | 0 | 0 | 0 | 111.5 | A61 V62 L67 L68 V69 | A61-L65 PolarHBondContact O-N 3.12Å; V62-L65 WeakPolarHBondContact O-CB 3.45Å; V62-L65 PolarHBondContact O-N 3.25Å; L65-L67 VanDerWaalsContact C-N 3.34Å; L65-L67 PolarHBondContact O-N 2.86Å; L65-L68 PolarHBondContact O-N 3.33Å; L65-V69 WeakPolarHBondContact O-CG2 3.46Å; L65-V69 PolarHBondContact O-N 3.43Å |
| 66 | Y | 91.3 | Very high | 83.7 | Confident | 170 Ų | 170 | 93.9 Ų | 93.9 | 67% | 0.667 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -41.3 | 176.3 | -81.7 | -70.9 | 0 | 0 | 0 | 112.3 | V62 L63 V69 F70 | V62-Y66 HydrophobicContact CG1-CD2 3.8Å; V62-Y66 HydrophobicContact CG1-CE2 3.55Å; V62-Y66 WeakPolarHBondContact O-CD2 3.33Å; V62-Y66 PolarHBondContact O-N 3.12Å; L63-Y66 PolarHBondContact O-N 2.98Å; Y66-V69 PolarHBondContact O-N 3.46Å; Y66-F70 WeakPolarHBondContact O-CB 3.45Å; Y66-F70 PolarHBondContact O-N 2.91Å |
| 67 | L | 92.1 | Very high | 84.5 | Confident | 99 Ų | 99 | 97.4 Ų | 97.4 | 52% | 0.518 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.4 | -37.4 | 179.2 | -150.9 | 150.5 | 0 | 0 | 0 | 111.3 | L63 G64 L65 F70 L71 | L63-L67 WeakPolarHBondContact O-CB 3.47Å; L63-L67 PolarHBondContact O-N 2.96Å; G64-L67 PolarHBondContact O-N 2.97Å; L65-L67 VanDerWaalsContact C-N 3.34Å; L65-L67 PolarHBondContact O-N 2.86Å; L67-F70 PolarHBondContact O-N 3.36Å; L67-L71 HydrophobicContact CD2-CD1 3.69Å; L67-L71 HydrophobicContact CD2-CG 4.05Å; L67-L71 WeakPolarHBondContact O-CB 3.35Å; L67-L71 VanDerWaalsContact O-CG 3.31Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 2.82Å |
| 68 | L | 89.9 | Confident | 85.2 | Confident | 102 Ų | 102 | 99.1 Ų | 99.1 | 53% | 0.534 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -49.4 | 173.2 | -171.2 | 89.8 | 0 | 0 | 0 | 111.6 | G64 L65 F70 L71 I72 | G64-L68 WeakPolarHBondContact O-CB 3.4Å; G64-L68 PolarHBondContact O-N 2.75Å; L65-L68 PolarHBondContact O-N 3.33Å; L68-F70 VanDerWaalsContact C-N 3.3Å; L68-F70 PolarHBondContact O-N 3.19Å; L68-L71 PolarHBondContact O-N 2.89Å; L68-I72 HydrophobicContact CD2-CD1 4.28Å; L68-I72 HydrophobicContact CG-CD1 4.11Å; L68-I72 VanDerWaalsContact O-CG1 3.3Å; L68-I72 WeakPolarHBondContact O-CG1 3.41Å; L68-I72 PolarHBondContact O-N 3.18Å |
| 69 | V | 89.9 | Confident | 85.2 | Confident | 72 Ų | 72 | 99.6 Ų | 99.6 | 44% | 0.436 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 178 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | L65 Y66 I72 L73 | L65-V69 WeakPolarHBondContact O-CG2 3.46Å; L65-V69 PolarHBondContact O-N 3.43Å; Y66-V69 PolarHBondContact O-N 3.46Å; V69-I72 PolarHBondContact O-N 3.49Å; V69-L73 HydrophobicContact CG1-CD1 4.14Å; V69-L73 WeakPolarHBondContact O-CG 3.44Å; V69-L73 PolarHBondContact O-N 3.17Å |
| 70 | F | 91.8 | Very high | 84.7 | Confident | 130 Ų | 130 | 95.8 Ų | 95.8 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.2 | -45.7 | 175.3 | -179.1 | -99.3 | 0 | 0 | 0 | 112.2 | Y66 L67 L68 I72 L73 V74 | Y66-F70 WeakPolarHBondContact O-CB 3.45Å; Y66-F70 PolarHBondContact O-N 2.91Å; L67-F70 PolarHBondContact O-N 3.36Å; L68-F70 VanDerWaalsContact C-N 3.3Å; L68-F70 PolarHBondContact O-N 3.19Å; F70-I72 VanDerWaalsContact C-N 3.33Å; F70-I72 PolarHBondContact O-N 3.44Å; F70-L73 PolarHBondContact O-N 2.96Å; F70-V74 HydrophobicContact CD1-CG2 4.13Å; F70-V74 HydrophobicContact CE1-CG2 3.74Å; F70-V74 HydrophobicContact CE2-CG2 4.24Å; F70-V74 HydrophobicContact CZ-CG2 3.81Å; F70-V74 VanDerWaalsContact O-CG2 3.32Å; F70-V74 WeakPolarHBondContact O-CG2 3.37Å; F70-V74 PolarHBondContact O-N 3.32Å |
| 71 | L | 90.1 | Very high | 84 | Confident | 102 Ų | 102 | 93.9 Ų | 93.9 | 53% | 0.534 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -36 | 176.9 | -72.5 | 175.2 | 0 | 0 | 0 | 112.6 | L67 L68 V74 G75 | L67-L71 HydrophobicContact CD2-CD1 3.69Å; L67-L71 HydrophobicContact CD2-CG 4.05Å; L67-L71 WeakPolarHBondContact O-CB 3.35Å; L67-L71 VanDerWaalsContact O-CG 3.31Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 2.82Å; L68-L71 PolarHBondContact O-N 2.89Å; L71-V74 PolarHBondContact O-N 3.41Å; L71-G75 PolarHBondContact O-N 2.96Å |
| 72 | I | 89 | Confident | 83 | Confident | 91 Ų | 91 | 94.6 Ų | 94.6 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 173.8 | -68.5 | 164.9 | 0 | 0 | 0 | 110.2 | L68 V69 F70 G75 I76 | L68-I72 HydrophobicContact CD2-CD1 4.28Å; L68-I72 HydrophobicContact CG-CD1 4.11Å; L68-I72 VanDerWaalsContact O-CG1 3.3Å; L68-I72 WeakPolarHBondContact O-CG1 3.41Å; L68-I72 PolarHBondContact O-N 3.18Å; V69-I72 PolarHBondContact O-N 3.49Å; F70-I72 VanDerWaalsContact C-N 3.33Å; F70-I72 PolarHBondContact O-N 3.44Å; I72-G75 PolarHBondContact O-N 3.2Å; I72-I76 HydrophobicContact CG2-CD1 3.78Å; I72-I76 HydrophobicContact CG2-CG1 4.4Å; I72-I76 WeakPolarHBondContact O-CB 3.45Å; I72-I76 VanDerWaalsContact O-CG1 3.25Å; I72-I76 WeakPolarHBondContact O-CG1 3.4Å; I72-I76 PolarHBondContact O-N 3.09Å |
| 73 | L | 88.1 | Confident | 81.3 | Confident | 106 Ų | 106 | 100.6 Ų | 100.6 | 56% | 0.555 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.9 | -41.6 | 177.4 | -71.8 | 171.2 | 0 | 0 | 0 | 112.1 | V69 F70 G75 I76 F77 | V69-L73 HydrophobicContact CG1-CD1 4.14Å; V69-L73 WeakPolarHBondContact O-CG 3.44Å; V69-L73 PolarHBondContact O-N 3.17Å; F70-L73 PolarHBondContact O-N 2.96Å; L73-G75 VanDerWaalsContact C-N 3.35Å; L73-I76 PolarHBondContact O-N 3.28Å; L73-F77 VanDerWaalsContact O-CB 3.31Å; L73-F77 WeakPolarHBondContact O-CB 3.39Å; L73-F77 PolarHBondContact O-N 2.98Å |
| 74 | V | 92.4 | Very high | 79.1 | Confident | 51 Ų | 51 | 100.3 Ų | 100.3 | 31% | 0.309 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 173.3 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | F70 L71 F77 I78 | F70-V74 HydrophobicContact CD1-CG2 4.13Å; F70-V74 HydrophobicContact CE1-CG2 3.74Å; F70-V74 HydrophobicContact CE2-CG2 4.24Å; F70-V74 HydrophobicContact CZ-CG2 3.81Å; F70-V74 VanDerWaalsContact O-CG2 3.32Å; F70-V74 WeakPolarHBondContact O-CG2 3.37Å; F70-V74 PolarHBondContact O-N 3.32Å; L71-V74 PolarHBondContact O-N 3.41Å; V74-F77 PolarHBondContact O-N 2.92Å; V74-I78 HydrophobicContact CG1-CD1 3.76Å; V74-I78 HydrophobicContact CG1-CG1 4.26Å; V74-I78 WeakPolarHBondContact O-CB 3.34Å; V74-I78 VanDerWaalsContact O-CG1 3.25Å; V74-I78 WeakPolarHBondContact O-CG1 3.35Å; V74-I78 PolarHBondContact O-N 3.35Å |
| 75 | G | 85.6 | Confident | 77.2 | Confident | 29 Ų | 29 | 108.7 Ų | 108.7 | 30% | 0.299 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.9 | -42.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | L71 I72 L73 I78 L79 | L71-G75 PolarHBondContact O-N 2.96Å; I72-G75 PolarHBondContact O-N 3.2Å; L73-G75 VanDerWaalsContact C-N 3.35Å; G75-I78 PolarHBondContact O-N 3.35Å; G75-L79 VanDerWaalsContact O-CB 3.31Å; G75-L79 WeakPolarHBondContact O-CB 3.47Å; G75-L79 VanDerWaalsContact O-CG 3.26Å; G75-L79 WeakPolarHBondContact O-CG 3.46Å; G75-L79 PolarHBondContact O-N 3Å |
| 76 | I | 79.6 | Confident | 75.1 | Confident | 98 Ų | 98 | 107 Ų | 107 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.1 | -41.8 | 173.9 | -68.8 | 166.2 | 0 | 0 | 0 | 110.4 | I72 L73 L79 A80 | I72-I76 HydrophobicContact CG2-CD1 3.78Å; I72-I76 HydrophobicContact CG2-CG1 4.4Å; I72-I76 WeakPolarHBondContact O-CB 3.45Å; I72-I76 VanDerWaalsContact O-CG1 3.25Å; I72-I76 WeakPolarHBondContact O-CG1 3.4Å; I72-I76 PolarHBondContact O-N 3.09Å; L73-I76 PolarHBondContact O-N 3.28Å; I76-L79 PolarHBondContact O-N 2.95Å; I76-A80 VanDerWaalsContact O-CB 3.27Å; I76-A80 WeakPolarHBondContact O-CB 3.3Å; I76-A80 PolarHBondContact O-N 3.08Å |
| 77 | F | 80.9 | Confident | 73.3 | Confident | 142 Ų | 142 | 100.4 Ų | 100.4 | 62% | 0.623 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.1 | -45.6 | 176.9 | -178.1 | -97.5 | 0 | 0 | 0 | 111.9 | L73 V74 L79 A80 V81 | L73-F77 VanDerWaalsContact O-CB 3.31Å; L73-F77 WeakPolarHBondContact O-CB 3.39Å; L73-F77 PolarHBondContact O-N 2.98Å; V74-F77 PolarHBondContact O-N 2.92Å; F77-L79 VanDerWaalsContact C-N 3.34Å; F77-L79 PolarHBondContact O-N 3.48Å; F77-A80 PolarHBondContact O-N 3.39Å; F77-V81 HydrophobicContact CD1-CG2 4.33Å; F77-V81 HydrophobicContact CE1-CG2 3.99Å; F77-V81 HydrophobicContact CE2-CG2 4.3Å; F77-V81 HydrophobicContact CZ-CG2 3.98Å; F77-V81 WeakPolarHBondContact O-CB 3.34Å; F77-V81 VanDerWaalsContact O-CG2 3.28Å; F77-V81 WeakPolarHBondContact O-CG2 3.44Å; F77-V81 PolarHBondContact O-N 2.89Å |
| 78 | I | 78.1 | Confident | 71.6 | Confident | 91 Ų | 91 | 98.4 Ų | 98.4 | 47% | 0.467 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 173.8 | -69.8 | 172.1 | 0 | 0 | 0 | 108.9 | V74 G75 A80 V81 S82 | V74-I78 HydrophobicContact CG1-CD1 3.76Å; V74-I78 HydrophobicContact CG1-CG1 4.26Å; V74-I78 WeakPolarHBondContact O-CB 3.34Å; V74-I78 VanDerWaalsContact O-CG1 3.25Å; V74-I78 WeakPolarHBondContact O-CG1 3.35Å; V74-I78 PolarHBondContact O-N 3.35Å; G75-I78 PolarHBondContact O-N 3.35Å; I78-A80 VanDerWaalsContact C-N 3.32Å; I78-A80 PolarHBondContact O-N 3.34Å; I78-V81 CarbonylContact O-C 3.57Å; I78-V81 PolarHBondContact O-N 3.03Å; I78-S82 WeakPolarHBondContact CG2-OG 3.33Å; I78-S82 WeakPolarHBondContact O-CA 3.34Å; I78-S82 WeakPolarHBondContact O-CB 3.42Å; I78-S82 PolarHBondContact O-N 3.16Å; I78-S82 PolarHBondContact O-OG 3.4Å |
| 79 | L | 69.6 | Low | 70.1 | Confident | 121 Ų | 121 | 98.6 Ų | 98.6 | 63% | 0.634 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.9 | -35.8 | 177.2 | -76.6 | 166.8 | 0 | 0 | 0 | 112.6 | G75 I76 F77 R83 | G75-L79 VanDerWaalsContact O-CB 3.31Å; G75-L79 WeakPolarHBondContact O-CB 3.47Å; G75-L79 VanDerWaalsContact O-CG 3.26Å; G75-L79 WeakPolarHBondContact O-CG 3.46Å; G75-L79 PolarHBondContact O-N 3Å; I76-L79 PolarHBondContact O-N 2.95Å; F77-L79 VanDerWaalsContact C-N 3.34Å; F77-L79 PolarHBondContact O-N 3.48Å; L79-R83 WeakPolarHBondContact O-CG 3.23Å; L79-R83 PolarHBondContact O-N 3.37Å |
| 80 | A | 65.6 | Low | 68.4 | Low | 64 Ų | 64 | 97.4 Ų | 97.4 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.1 | -36.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I76 F77 I78 | I76-A80 VanDerWaalsContact O-CB 3.27Å; I76-A80 WeakPolarHBondContact O-CB 3.3Å; I76-A80 PolarHBondContact O-N 3.08Å; F77-A80 PolarHBondContact O-N 3.39Å; I78-A80 VanDerWaalsContact C-N 3.32Å; I78-A80 PolarHBondContact O-N 3.34Å |
| 81 | V | 66 | Low | 66.8 | Low | 98 Ų | 98 | 95.7 Ų | 95.7 | 59% | 0.594 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -83.5 | -27.6 | 178.4 | 175.8 | 0 | 0 | 0 | 0 | 112.4 | F77 I78 | F77-V81 HydrophobicContact CD1-CG2 4.33Å; F77-V81 HydrophobicContact CE1-CG2 3.99Å; F77-V81 HydrophobicContact CE2-CG2 4.3Å; F77-V81 HydrophobicContact CZ-CG2 3.98Å; F77-V81 WeakPolarHBondContact O-CB 3.34Å; F77-V81 VanDerWaalsContact O-CG2 3.28Å; F77-V81 WeakPolarHBondContact O-CG2 3.44Å; F77-V81 PolarHBondContact O-N 2.89Å; I78-V81 CarbonylContact O-C 3.57Å; I78-V81 PolarHBondContact O-N 3.03Å |
| 82 | S | 57.1 | Low | 65.7 | Low | 76 Ų | 76 | 96.6 Ų | 96.6 | 53% | 0.531 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -94.8 | -2.7 | -176.8 | -48.4 | 0 | 0 | 0 | 0 | 113.1 | I78 P84 | I78-S82 WeakPolarHBondContact CG2-OG 3.33Å; I78-S82 WeakPolarHBondContact O-CA 3.34Å; I78-S82 WeakPolarHBondContact O-CB 3.42Å; I78-S82 PolarHBondContact O-N 3.16Å; I78-S82 PolarHBondContact O-OG 3.4Å; S82-P84 VanDerWaalsContact O-N 3.16Å |
| 83 | R | 46.9 | Very low | 64.5 | Low | 195 Ų | 195 | 93.5 Ų | 93.5 | 74% | 0.736 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -54.1 | 125 | 168.2 | -91.2 | -177.1 | -172.2 | -171.2 | 2.4 | 107.4 | L79 R85 | L79-R83 WeakPolarHBondContact O-CG 3.23Å; L79-R83 PolarHBondContact O-N 3.37Å; R83-R85 PolarHBondContact O-N 3.29Å |
| 84 | P | 43.4 | Very low | 63.4 | Low | 114 Ų | 114 | 90 Ų | 90 | 74% | 0.74 | 48% | 0.483 | S | S | * | . | trans | -59.9 | 113.1 | -178.8 | 24.2 | -31.6 | 0 | 0 | 0 | 107.4 | S82 S86 | S82-P84 VanDerWaalsContact O-N 3.16Å; P84-S86 VanDerWaalsContact C-N 3.26Å; P84-S86 PolarHBondContact O-N 2.97Å | ||
| 85 | R | 45.6 | Very low | 62.2 | Low | 218 Ų | 218 | 91.1 Ų | 91.1 | 82% | 0.823 | 49% | 0.49 | S | S | * | . | trans | -60.9 | 94.8 | 166.3 | -76.5 | 178.5 | 170.7 | 146.7 | -2.3 | 106.4 | R83 S87 | R83-R85 PolarHBondContact O-N 3.29Å; R85-S87 PolarHBondContact O-N 2.87Å | ||
| 86 | S | 44.4 | Very low | 61.6 | Low | 78 Ų | 78 | 97 Ų | 97 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | trans | -57.1 | 112.8 | 164.7 | 33.8 | 0 | 0 | 0 | 0 | 108.1 | P84 | P84-S86 VanDerWaalsContact C-N 3.26Å; P84-S86 PolarHBondContact O-N 2.97Å | ||
| 87 | S | 52.9 | Low | 61.2 | Low | 31 Ų | 31 | 94.3 Ų | 94.3 | 22% | 0.217 | 49% | 0.49 | C | S | . | . | trans | 36.1 | 68.6 | 167.8 | 65.1 | 0 | 0 | 0 | 0 | 118.1 | R85 D89 D90 L91 | R85-S87 PolarHBondContact O-N 2.87Å; S87-D89 PolarHBondContact O-N 3.42Å; S87-D90 VanDerWaalsContact CB-OD2 3.29Å; S87-D90 WeakPolarHBondContact CB-OD2 3.38Å; S87-D90 PolarHBondContact O-N 3.4Å; S87-D90 PolarHBondContact OG-OD2 3.16Å; S87-L91 PolarHBondContact O-N 2.86Å | ||
| 88 | P | 56.4 | Low | 60.7 | Low | 57 Ų | 57 | 90.8 Ų | 90.8 | 37% | 0.37 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -54.6 | -22.7 | 159.9 | 24 | -31.6 | 0 | 0 | 0 | 111.8 | K92 | P88-K92 WeakPolarHBondContact O-CB 3.42Å; P88-K92 WeakPolarHBondContact O-CD 3.22Å; P88-K92 WeakPolarHBondContact O-CG 3.43Å; P88-K92 PolarHBondContact O-N 2.98Å |
| 89 | D | 58.2 | Low | 60.3 | Low | 107 Ų | 107 | 90.7 Ų | 90.7 | 57% | 0.572 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -78.6 | -39.1 | 177.3 | -64.4 | -39.7 | 0 | 0 | 0 | 113.9 | S87 A93 | S87-D89 PolarHBondContact O-N 3.42Å; D89-A93 VanDerWaalsContact O-CB 3.22Å; D89-A93 WeakPolarHBondContact O-CB 3.46Å; D89-A93 PolarHBondContact O-N 3.19Å |
| 90 | D | 55.7 | Low | 60.4 | Low | 47 Ų | 47 | 93.9 Ų | 93.9 | 25% | 0.251 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -74.5 | -36.5 | 175.6 | -71 | -43 | 0 | 0 | 0 | 111.5 | S87 A93 L94 R148 | S87-D90 VanDerWaalsContact CB-OD2 3.29Å; S87-D90 WeakPolarHBondContact CB-OD2 3.38Å; S87-D90 PolarHBondContact O-N 3.4Å; S87-D90 PolarHBondContact OG-OD2 3.16Å; D90-A93 PolarHBondContact O-N 2.84Å; D90-L94 WeakPolarHBondContact O-CB 3.34Å; D90-L94 PolarHBondContact O-N 3.17Å; D90-R148 IonicContact OD1-CZ 2.69Å; D90-R148 IonicContact OD1-NH1 2.91Å; D90-R148 PolarHBondContact OD1-NH1 3.35Å |
| 91 | L | 58 | Low | 60.4 | Low | 94 Ų | 94 | 92.4 Ų | 92.4 | 49% | 0.492 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 172.6 | -154.2 | 79.4 | 0 | 0 | 0 | 110.4 | S87 A93 L94 T95 L149 | S87-L91 PolarHBondContact O-N 2.86Å; L91-A93 VanDerWaalsContact C-N 3.29Å; L91-A93 PolarHBondContact O-N 3.42Å; L91-L94 PolarHBondContact O-N 3.48Å; L91-T95 PolarHBondContact O-N 3.44Å; L91-T95 PolarHBondContact O-OG1 3.36Å; L91-L149 HydrophobicContact CD1-CD1 4.26Å |
| 92 | K | 65.2 | Low | 60.6 | Low | 120 Ų | 120 | 91.9 Ų | 91.9 | 52% | 0.522 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.6 | -33.5 | 171.7 | -82.9 | 174.1 | -179.2 | 176.4 | 0 | 112.6 | P88 R96 | P88-K92 WeakPolarHBondContact O-CB 3.42Å; P88-K92 WeakPolarHBondContact O-CD 3.22Å; P88-K92 WeakPolarHBondContact O-CG 3.43Å; P88-K92 PolarHBondContact O-N 2.98Å; K92-R96 VanDerWaalsContact O-CB 3.23Å; K92-R96 WeakPolarHBondContact O-CB 3.07Å; K92-R96 WeakPolarHBondContact O-CG 3.1Å; K92-R96 PolarHBondContact O-N 2.88Å; K92-R96 PolarHBondContact O-NE 2.9Å; K92-R96 VanDerWaalsContact O-NE 3.16Å |
| 93 | A | 65.4 | Low | 61.3 | Low | 26 Ų | 26 | 94.1 Ų | 94.1 | 22% | 0.215 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -70.5 | -42.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | D89 D90 L91 R96 N97 | D89-A93 VanDerWaalsContact O-CB 3.22Å; D89-A93 WeakPolarHBondContact O-CB 3.46Å; D89-A93 PolarHBondContact O-N 3.19Å; D90-A93 PolarHBondContact O-N 2.84Å; L91-A93 VanDerWaalsContact C-N 3.29Å; L91-A93 PolarHBondContact O-N 3.42Å; A93-R96 PolarHBondContact O-N 3.01Å; A93-N97 WeakPolarHBondContact O-CB 3.45Å; A93-N97 PolarHBondContact O-N 3.38Å; A93-N97 PolarHBondContact O-ND2 3.43Å; A93-N97 PolarHBondContact O-OD1 2.84Å |
| 94 | L | 64.1 | Low | 62.4 | Low | 32 Ų | 32 | 86.9 Ų | 86.9 | 17% | 0.168 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -60.8 | -50.4 | 173.9 | -171.5 | 74.3 | 0 | 0 | 0 | 111 | D90 L91 R96 N97 V98 L142 A145 V146 L149 | D90-L94 WeakPolarHBondContact O-CB 3.34Å; D90-L94 PolarHBondContact O-N 3.17Å; L91-L94 PolarHBondContact O-N 3.48Å; L94-R96 VanDerWaalsContact C-N 3.32Å; L94-R96 PolarHBondContact O-N 2.92Å; L94-N97 PolarHBondContact O-N 3.04Å; L94-V98 VanDerWaalsContact O-CG2 3.3Å; L94-V98 WeakPolarHBondContact O-CG2 3.33Å; L94-V98 PolarHBondContact O-N 2.98Å; L94-L142 HydrophobicContact CD1-CD2 3.45Å; L94-L142 VanDerWaalsContact CD1-CD2 3.45Å; L94-L142 HydrophobicContact CD1-CG 3.99Å; L94-L142 HydrophobicContact CG-CD2 4.45Å; L94-A145 HydrophobicContact CD1-CB 3.89Å; L94-V146 HydrophobicContact CD1-CG2 4.04Å; L94-L149 HydrophobicContact CD2-CD1 4.14Å |
| 95 | T | 67.5 | Low | 63.3 | Low | 76 Ų | 76 | 86.4 Ų | 86.4 | 47% | 0.466 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 177.4 | -44.3 | 0 | 0 | 0 | 0 | 111.8 | L91 N99 | L91-T95 PolarHBondContact O-N 3.44Å; L91-T95 PolarHBondContact O-OG1 3.36Å; T95-N99 WeakPolarHBondContact O-CB 3.23Å; T95-N99 PolarHBondContact O-N 3.08Å; T95-N99 PolarHBondContact O-ND2 2.97Å |
| 96 | R | 72.8 | Confident | 64.3 | Low | 153 Ų | 153 | 83 Ų | 83 | 58% | 0.577 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.3 | -42.2 | 173.9 | -87.5 | -178.4 | -85.2 | 159.2 | -8.8 | 112.3 | K92 A93 L94 N99 R100 | K92-R96 VanDerWaalsContact O-CB 3.23Å; K92-R96 WeakPolarHBondContact O-CB 3.07Å; K92-R96 WeakPolarHBondContact O-CG 3.1Å; K92-R96 PolarHBondContact O-N 2.88Å; K92-R96 PolarHBondContact O-NE 2.9Å; K92-R96 VanDerWaalsContact O-NE 3.16Å; A93-R96 PolarHBondContact O-N 3.01Å; L94-R96 VanDerWaalsContact C-N 3.32Å; L94-R96 PolarHBondContact O-N 2.92Å; R96-N99 PolarHBondContact O-N 3.21Å; R96-R100 WeakPolarHBondContact O-CB 3.21Å; R96-R100 PolarHBondContact O-N 3.01Å |
| 97 | N | 70.5 | Confident | 65.3 | Low | 41 Ų | 41 | 82.6 Ų | 82.6 | 22% | 0.219 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.3 | -41 | 179.5 | -70.4 | -11.4 | 0 | 0 | 0 | 111.6 | A93 L94 R100 L101 L142 | A93-N97 WeakPolarHBondContact O-CB 3.45Å; A93-N97 PolarHBondContact O-N 3.38Å; A93-N97 PolarHBondContact O-ND2 3.43Å; A93-N97 PolarHBondContact O-OD1 2.84Å; L94-N97 PolarHBondContact O-N 3.04Å; N97-R100 PolarHBondContact O-N 2.8Å; N97-L101 PolarHBondContact O-N 3.15Å; N97-L142 HydrophobicContact CB-CD1 4.12Å; N97-L142 HydrophobicContact CB-CG 4.31Å |
| 98 | V | 70.6 | Confident | 65.9 | Low | 67 Ų | 67 | 83.6 Ų | 83.6 | 41% | 0.406 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 173.3 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | L94 L101 N102 L142 | L94-V98 VanDerWaalsContact O-CG2 3.3Å; L94-V98 WeakPolarHBondContact O-CG2 3.33Å; L94-V98 PolarHBondContact O-N 2.98Å; V98-L101 PolarHBondContact O-N 3.02Å; V98-N102 WeakPolarHBondContact O-CB 3.37Å; V98-N102 PolarHBondContact O-N 3.24Å; V98-L142 HydrophobicContact CG2-CD1 3.79Å; V98-L142 HydrophobicContact CG2-CD2 3.95Å; V98-L142 HydrophobicContact CG2-CG 4.29Å |
| 99 | N | 70.1 | Confident | 65.9 | Low | 90 Ų | 90 | 86 Ų | 86 | 48% | 0.481 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66 | -38.8 | 178.3 | -72.6 | -13.4 | 0 | 0 | 0 | 112.1 | T95 R96 L101 N102 E103 | T95-N99 WeakPolarHBondContact O-CB 3.23Å; T95-N99 PolarHBondContact O-N 3.08Å; T95-N99 PolarHBondContact O-ND2 2.97Å; R96-N99 PolarHBondContact O-N 3.21Å; N99-L101 VanDerWaalsContact C-N 3.35Å; N99-N102 PolarHBondContact O-N 2.64Å; N99-E103 WeakPolarHBondContact O-CB 3.28Å; N99-E103 WeakPolarHBondContact O-CG 3.36Å; N99-E103 PolarHBondContact O-N 2.75Å |
| 100 | R | 71.1 | Confident | 66.1 | Low | 187 Ų | 187 | 85.6 Ų | 85.6 | 71% | 0.706 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.5 | -41.9 | 172.9 | -116.3 | -179.3 | -175.4 | 173.4 | -0.3 | 112.2 | R96 N97 N102 S104 | R96-R100 WeakPolarHBondContact O-CB 3.21Å; R96-R100 PolarHBondContact O-N 3.01Å; N97-R100 PolarHBondContact O-N 2.8Å; R100-N102 VanDerWaalsContact C-N 3.35Å; R100-S104 WeakPolarHBondContact O-CB 3.31Å; R100-S104 PolarHBondContact O-N 3.02Å; R100-S104 PolarHBondContact O-OG 3.11Å; R100-S104 VanDerWaalsContact O-OG 3.08Å |
| 101 | L | 66.5 | Low | 66.5 | Low | 33 Ų | 33 | 91.5 Ų | 91.5 | 17% | 0.173 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 177.4 | -140.4 | 115.3 | 0 | 0 | 0 | 111.2 | N97 V98 N99 S104 F105 L139 L142 | N97-L101 PolarHBondContact O-N 3.15Å; V98-L101 PolarHBondContact O-N 3.02Å; N99-L101 VanDerWaalsContact C-N 3.35Å; L101-S104 WeakPolarHBondContact CA-OG 3.28Å; L101-S104 PolarHBondContact O-N 3.26Å; L101-S104 PolarHBondContact O-OG 3.4Å; L101-F105 WeakPolarHBondContact O-CB 3.45Å; L101-F105 PolarHBondContact O-N 3.31Å; L101-L139 HydrophobicContact CD1-CD2 4.14Å; L101-L139 HydrophobicContact CD1-CG 4.05Å; L101-L139 HydrophobicContact CD2-CD2 4.1Å; L101-L139 HydrophobicContact CD2-CG 4.46Å; L101-L142 HydrophobicContact CD1-CD1 4.33Å |
| 102 | N | 70.4 | Confident | 66.4 | Low | 87 Ų | 87 | 93 Ų | 93 | 47% | 0.465 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 178.8 | -167.8 | 37.8 | 0 | 0 | 0 | 112.8 | V98 N99 R100 F105 R106 | V98-N102 WeakPolarHBondContact O-CB 3.37Å; V98-N102 PolarHBondContact O-N 3.24Å; N99-N102 PolarHBondContact O-N 2.64Å; R100-N102 VanDerWaalsContact C-N 3.35Å; N102-F105 PolarHBondContact O-N 3.17Å; N102-R106 PolarHBondContact O-N 3.42Å; N102-R106 VanDerWaalsContact O-N 3.11Å |
| 103 | E | 72.5 | Confident | 65.9 | Low | 124 Ų | 124 | 94.4 Ų | 94.4 | 58% | 0.579 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.7 | -45.7 | 174.4 | -76.4 | -79.6 | 137.6 | 0 | 0 | 111.6 | N99 F105 R106 D107 | N99-E103 WeakPolarHBondContact O-CB 3.28Å; N99-E103 WeakPolarHBondContact O-CG 3.36Å; N99-E103 PolarHBondContact O-N 2.75Å; E103-F105 VanDerWaalsContact C-N 3.32Å; E103-F105 PolarHBondContact O-N 3.3Å; E103-R106 PolarHBondContact O-N 2.8Å; E103-D107 PolarHBondContact O-N 3.07Å |
| 104 | S | 68.7 | Low | 65.5 | Low | 42 Ų | 42 | 100.5 Ų | 100.5 | 29% | 0.294 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.2 | -34.1 | 176.9 | 61 | 0 | 0 | 0 | 0 | 113.1 | R100 L101 D107 L108 Q135 | R100-S104 WeakPolarHBondContact O-CB 3.31Å; R100-S104 PolarHBondContact O-N 3.02Å; R100-S104 PolarHBondContact O-OG 3.11Å; R100-S104 VanDerWaalsContact O-OG 3.08Å; L101-S104 WeakPolarHBondContact CA-OG 3.28Å; L101-S104 PolarHBondContact O-N 3.26Å; L101-S104 PolarHBondContact O-OG 3.4Å; S104-D107 PolarHBondContact O-N 3Å; S104-L108 WeakPolarHBondContact O-CB 3.29Å; S104-L108 PolarHBondContact O-N 3.26Å; S104-Q135 PolarHBondContact OG-NE2 2.92Å |
| 105 | F | 62.3 | Low | 65.1 | Low | 105 Ų | 105 | 101.7 Ų | 101.7 | 46% | 0.461 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.6 | -38.9 | 175.6 | -155.1 | -91.7 | 0 | 0 | 0 | 112 | L101 N102 E103 L108 Q109 | L101-F105 WeakPolarHBondContact O-CB 3.45Å; L101-F105 PolarHBondContact O-N 3.31Å; N102-F105 PolarHBondContact O-N 3.17Å; E103-F105 VanDerWaalsContact C-N 3.32Å; E103-F105 PolarHBondContact O-N 3.3Å; F105-L108 PolarHBondContact O-N 3.43Å; F105-Q109 HydrophobicContact CD1-CG 4.45Å; F105-Q109 HydrophobicContact CE1-CG 4.44Å; F105-Q109 PolarHBondContact O-N 3.01Å |
| 106 | R | 65.9 | Low | 64.4 | Low | 145 Ų | 145 | 103 Ų | 103 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 172.7 | -86.7 | -178.4 | 168.5 | 168.4 | -2.9 | 112.5 | N102 E103 L108 Q109 L110 | N102-R106 PolarHBondContact O-N 3.42Å; N102-R106 VanDerWaalsContact O-N 3.11Å; E103-R106 PolarHBondContact O-N 2.8Å; R106-L108 VanDerWaalsContact C-N 3.31Å; R106-L108 PolarHBondContact O-N 3.44Å; R106-Q109 PolarHBondContact O-N 2.63Å; R106-L110 WeakPolarHBondContact O-CG 3.41Å; R106-L110 PolarHBondContact O-N 2.72Å |
| 107 | D | 67.3 | Low | 63.4 | Low | 71 Ų | 71 | 104.2 Ų | 104.2 | 38% | 0.38 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -37.6 | 177.8 | -167 | 37.3 | 0 | 0 | 0 | 111.2 | E103 S104 L110 R111 | E103-D107 PolarHBondContact O-N 3.07Å; S104-D107 PolarHBondContact O-N 3Å; D107-L110 PolarHBondContact O-N 3.33Å; D107-R111 WeakPolarHBondContact O-CB 3.27Å; D107-R111 VanDerWaalsContact O-CG 3.29Å; D107-R111 WeakPolarHBondContact O-CG 3.47Å; D107-R111 PolarHBondContact O-N 3.21Å; D107-R111 IonicContact OD1-NE 3.03Å; D107-R111 PolarHBondContact OD1-NE 3Å; D107-R111 IonicContact OD1-NH2 3.64Å; D107-R111 IonicContact OD2-CZ 3.07Å; D107-R111 IonicContact OD2-NE 3.95Å; D107-R111 PolarHBondContact OD2-NE 2.96Å; D107-R111 VanDerWaalsContact OD2-NE 3.1Å; D107-R111 IonicContact OD2-NH2 3.22Å; D107-R111 PolarHBondContact OD2-NH2 3.11Å |
| 108 | L | 63.5 | Low | 62.4 | Low | 51 Ų | 51 | 111.4 Ų | 111.4 | 27% | 0.267 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.1 | -44 | 174.5 | -157.1 | 112.9 | 0 | 0 | 0 | 112.3 | S104 F105 R106 L110 R111 L112 A131 | S104-L108 WeakPolarHBondContact O-CB 3.29Å; S104-L108 PolarHBondContact O-N 3.26Å; F105-L108 PolarHBondContact O-N 3.43Å; R106-L108 VanDerWaalsContact C-N 3.31Å; R106-L108 PolarHBondContact O-N 3.44Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L108-L110 PolarHBondContact O-N 2.9Å; L108-R111 PolarHBondContact O-N 2.81Å; L108-L112 HydrophobicContact CD2-CD1 3.75Å; L108-L112 HydrophobicContact CG-CD1 4.26Å; L108-L112 WeakPolarHBondContact O-CB 3.46Å; L108-L112 PolarHBondContact O-N 3.19Å; L108-A131 HydrophobicContact CD1-CB 3.35Å |
| 109 | Q | 57.6 | Low | 61.5 | Low | 109 Ų | 109 | 111 Ų | 111 | 51% | 0.509 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.9 | -43.2 | 174.5 | -83.8 | -174.8 | -39.2 | 0 | 0 | 111.9 | F105 R106 L113 | F105-Q109 HydrophobicContact CD1-CG 4.45Å; F105-Q109 HydrophobicContact CE1-CG 4.44Å; F105-Q109 PolarHBondContact O-N 3.01Å; R106-Q109 PolarHBondContact O-N 2.63Å; Q109-L113 WeakPolarHBondContact O-CB 3.48Å; Q109-L113 WeakPolarHBondContact O-CD1 3.39Å; Q109-L113 PolarHBondContact O-N 3.28Å; Q109-L113 VanDerWaalsContact O-N 3.16Å |
| 110 | L | 61.8 | Low | 60.9 | Low | 97 Ų | 97 | 112.6 Ų | 112.6 | 51% | 0.508 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.7 | -41.2 | 178.5 | -78 | 160.5 | 0 | 0 | 0 | 112.2 | R106 D107 L108 L113 Q114 | R106-L110 WeakPolarHBondContact O-CG 3.41Å; R106-L110 PolarHBondContact O-N 2.72Å; D107-L110 PolarHBondContact O-N 3.33Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L108-L110 PolarHBondContact O-N 2.9Å; L110-L113 PolarHBondContact O-N 2.83Å; L110-Q114 PolarHBondContact O-N 3.11Å |
| 111 | R | 63.6 | Low | 60.2 | Low | 172 Ų | 172 | 110.2 Ų | 110.2 | 65% | 0.649 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.7 | -36.8 | 177.5 | -72.1 | 176.5 | -168.9 | -159.4 | 5.6 | 113.2 | D107 L108 L113 Q114 A115 | D107-R111 WeakPolarHBondContact O-CB 3.27Å; D107-R111 VanDerWaalsContact O-CG 3.29Å; D107-R111 WeakPolarHBondContact O-CG 3.47Å; D107-R111 PolarHBondContact O-N 3.21Å; D107-R111 IonicContact OD1-NE 3.03Å; D107-R111 PolarHBondContact OD1-NE 3Å; D107-R111 IonicContact OD1-NH2 3.64Å; D107-R111 IonicContact OD2-CZ 3.07Å; D107-R111 IonicContact OD2-NE 3.95Å; D107-R111 PolarHBondContact OD2-NE 2.96Å; D107-R111 VanDerWaalsContact OD2-NE 3.1Å; D107-R111 IonicContact OD2-NH2 3.22Å; D107-R111 PolarHBondContact OD2-NH2 3.11Å; L108-R111 PolarHBondContact O-N 2.81Å; R111-L113 VanDerWaalsContact C-N 3.3Å; R111-L113 PolarHBondContact O-N 3.26Å; R111-Q114 PolarHBondContact O-N 2.78Å; R111-A115 PolarHBondContact O-N 2.8Å |
| 112 | L | 57 | Low | 59.8 | Low | 125 Ų | 125 | 112.9 Ų | 112.9 | 65% | 0.654 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.5 | -30.6 | 173.5 | -94.8 | 149.3 | 0 | 0 | 0 | 112.6 | L108 | L108-L112 HydrophobicContact CD2-CD1 3.75Å; L108-L112 HydrophobicContact CG-CD1 4.26Å; L108-L112 WeakPolarHBondContact O-CB 3.46Å; L108-L112 PolarHBondContact O-N 3.19Å |
| 113 | L | 54.9 | Low | 59.4 | Low | 149 Ų | 149 | 113.6 Ų | 113.6 | 78% | 0.78 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -81.2 | -19.6 | 179.2 | -91.6 | 153.2 | 0 | 0 | 0 | 114.3 | Q109 L110 R111 | Q109-L113 WeakPolarHBondContact O-CB 3.48Å; Q109-L113 WeakPolarHBondContact O-CD1 3.39Å; Q109-L113 PolarHBondContact O-N 3.28Å; Q109-L113 VanDerWaalsContact O-N 3.16Å; L110-L113 PolarHBondContact O-N 2.83Å; R111-L113 VanDerWaalsContact C-N 3.3Å; R111-L113 PolarHBondContact O-N 3.26Å |
| 114 | Q | 57.4 | Low | 58.7 | Low | 155 Ų | 155 | 111.4 Ų | 111.4 | 72% | 0.724 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -114.7 | 2.4 | -172.9 | -72.7 | -178.4 | -22.3 | 0 | 0 | 115.1 | L110 R111 P116 | L110-Q114 PolarHBondContact O-N 3.11Å; R111-Q114 PolarHBondContact O-N 2.78Å; Q114-P116 VanDerWaalsContact O-CD 3.32Å; Q114-P116 WeakPolarHBondContact O-CD 3.45Å |
| 115 | A | 55.6 | Low | 58.3 | Low | 57 Ų | 57 | 113.6 Ų | 113.6 | 47% | 0.471 | 58% | 0.583 | S | S | . | * | trans | -70.9 | 120.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R111 | R111-A115 PolarHBondContact O-N 2.8Š| ||
| 116 | P | 52.4 | Low | 58.4 | Low | 103 Ų | 103 | 117.4 Ų | 117.4 | 67% | 0.669 | 59% | 0.594 | S | S | * | * | trans | -77.3 | 136.3 | 172.5 | 30.4 | -30.4 | 0 | 0 | 0 | 110.8 | Q114 Q118 | Q114-P116 VanDerWaalsContact O-CD 3.32Å; Q114-P116 WeakPolarHBondContact O-CD 3.45Å; P116-Q118 PolarHBondContact O-N 3.08Å | ||
| 117 | L | 51.2 | Low | 58.5 | Low | 178 Ų | 178 | 116.6 Ų | 116.6 | 93% | 0.932 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -71.7 | 24.2 | -171.8 | -103.4 | 140.2 | 0 | 0 | 0 | 115.8 | ||
| 118 | Q | 49.5 | Very low | 58.4 | Low | 192 Ų | 192 | 117.2 Ų | 117.2 | 90% | 0.897 | 60% | 0.601 | S | S | * | * | trans | -138 | 35.6 | -166.5 | -143.1 | 160.7 | 8.2 | 0 | 0 | 115.2 | P116 | P116-Q118 PolarHBondContact O-N 3.08Š| ||
| 119 | A | 52 | Low | 58.7 | Low | 60 Ų | 60 | 119.6 Ų | 119.6 | 50% | 0.496 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -131.2 | 152 | 166 | 0 | 0 | 0 | 0 | 0 | 110.7 | L121 | A119-L121 PolarHBondContact O-N 2.78Š|
| 120 | D | 57.2 | Low | 59.4 | Low | 123 Ų | 123 | 120.2 Ų | 120.2 | 66% | 0.658 | 62% | 0.617 | S | S | * | * | trans | -48.6 | 126.9 | -166.3 | -143.3 | -7.3 | 0 | 0 | 0 | 113.4 | T122 E123 | D120-T122 PolarHBondContact O-N 2.75Å; D120-T122 VanDerWaalsContact O-N 3.08Å; D120-E123 PolarHBondContact O-N 2.9Å; D120-E123 VanDerWaalsContact O-N 3.12Å | ||
| 121 | L | 56.8 | Low | 59.6 | Low | 136 Ų | 136 | 117 Ų | 117 | 71% | 0.712 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -59.3 | -29.1 | -166.9 | -138.3 | 91.5 | 0 | 0 | 0 | 112.7 | A119 V125 | A119-L121 PolarHBondContact O-N 2.78Å; L121-V125 WeakPolarHBondContact O-CG2 3.03Å; L121-V125 PolarHBondContact O-N 3.06Å |
| 122 | T | 57.8 | Low | 59.6 | Low | 89 Ų | 89 | 114 Ų | 114 | 55% | 0.546 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.8 | -37.6 | -178.9 | 46.6 | 0 | 0 | 0 | 0 | 112.5 | D120 V125 W126 | D120-T122 PolarHBondContact O-N 2.75Å; D120-T122 VanDerWaalsContact O-N 3.08Å; T122-V125 PolarHBondContact O-N 3.19Å; T122-W126 PolarHBondContact O-N 2.87Å |
| 123 | E | 61.4 | Low | 60.3 | Low | 103 Ų | 103 | 112.8 Ų | 112.8 | 48% | 0.481 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -72.8 | -31.9 | -179.6 | -151.2 | -163.3 | 145.4 | 0 | 0 | 111.8 | D120 K127 | D120-E123 PolarHBondContact O-N 2.9Å; D120-E123 VanDerWaalsContact O-N 3.12Å; E123-K127 WeakPolarHBondContact O-CG 3.43Å; E123-K127 PolarHBondContact O-N 2.97Å; E123-K127 WeakPolarHBondContact OE1-CE 3.4Å; E123-K127 IonicContact OE1-NZ 3.48Å; E123-K127 PolarHBondContact OE1-NZ 3.48Å |
| 124 | Q | 59.4 | Low | 61.1 | Low | 78 Ų | 78 | 110.7 Ų | 110.7 | 36% | 0.364 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.2 | -39.8 | 174 | -68 | -165.6 | -6.3 | 0 | 0 | 112.1 | K127 V128 | Q124-K127 PolarHBondContact O-N 3.04Å; Q124-V128 WeakPolarHBondContact O-CG2 3.32Å; Q124-V128 PolarHBondContact O-N 3.19Å |
| 125 | V | 60.2 | Low | 61.6 | Low | 87 Ų | 87 | 104.9 Ų | 104.9 | 53% | 0.527 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.4 | -43.4 | 176 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | L121 T122 K127 V128 Q129 | L121-V125 WeakPolarHBondContact O-CG2 3.03Å; L121-V125 PolarHBondContact O-N 3.06Å; T122-V125 PolarHBondContact O-N 3.19Å; V125-K127 PolarHBondContact O-N 2.97Å; V125-V128 PolarHBondContact O-N 3.14Å; V125-Q129 WeakPolarHBondContact O-CB 3.11Å; V125-Q129 PolarHBondContact O-N 3.03Å |
| 126 | W | 64.4 | Low | 62.4 | Low | 186 Ų | 186 | 104.4 Ų | 104.4 | 71% | 0.705 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.3 | -38.1 | 177 | -80 | 110.4 | 0 | 0 | 0 | 113.1 | T122 Q129 D130 | T122-W126 PolarHBondContact O-N 2.87Å; W126-Q129 PolarHBondContact O-N 3.43Å; W126-D130 WeakPolarHBondContact O-CB 3.48Å; W126-D130 PolarHBondContact O-N 2.8Å |
| 127 | K | 66.8 | Low | 63.4 | Low | 127 Ų | 127 | 104 Ų | 104 | 55% | 0.552 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.9 | -36.6 | 175.5 | -77.3 | 172.8 | -174.1 | 160 | 0 | 112.9 | E123 Q124 V125 A131 | E123-K127 WeakPolarHBondContact O-CG 3.43Å; E123-K127 PolarHBondContact O-N 2.97Å; E123-K127 WeakPolarHBondContact OE1-CE 3.4Å; E123-K127 IonicContact OE1-NZ 3.48Å; E123-K127 PolarHBondContact OE1-NZ 3.48Å; Q124-K127 PolarHBondContact O-N 3.04Å; V125-K127 PolarHBondContact O-N 2.97Å; K127-A131 WeakPolarHBondContact O-CB 3.42Å; K127-A131 PolarHBondContact O-N 3.28Å |
| 128 | V | 66.1 | Low | 64.5 | Low | 85 Ų | 85 | 96.8 Ų | 96.8 | 52% | 0.515 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.9 | -41.9 | 174.6 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | Q124 V125 A131 L132 | Q124-V128 WeakPolarHBondContact O-CG2 3.32Å; Q124-V128 PolarHBondContact O-N 3.19Å; V125-V128 PolarHBondContact O-N 3.14Å; V128-A131 PolarHBondContact O-N 3.37Å; V128-L132 PolarHBondContact O-N 3.09Å |
| 129 | Q | 70.3 | Confident | 65.5 | Low | 101 Ų | 101 | 92.1 Ų | 92.1 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.7 | -47.7 | 175.9 | -171.1 | 80.8 | 20.4 | 0 | 0 | 111.3 | V125 W126 A131 L132 Q133 | V125-Q129 WeakPolarHBondContact O-CB 3.11Å; V125-Q129 PolarHBondContact O-N 3.03Å; W126-Q129 PolarHBondContact O-N 3.43Å; Q129-A131 PolarHBondContact O-N 3.26Å; Q129-L132 PolarHBondContact O-N 3.16Å; Q129-Q133 WeakPolarHBondContact O-CB 3.34Å; Q129-Q133 PolarHBondContact O-N 3.12Å |
| 130 | D | 70.6 | Confident | 66.5 | Low | 121 Ų | 121 | 95.3 Ų | 95.3 | 65% | 0.647 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.4 | -36.6 | -177.7 | -155.4 | 40.6 | 0 | 0 | 0 | 111.8 | W126 Q133 N134 | W126-D130 WeakPolarHBondContact O-CB 3.48Å; W126-D130 PolarHBondContact O-N 2.8Å; D130-Q133 PolarHBondContact O-N 3.41Å; D130-N134 WeakPolarHBondContact O-CB 3.35Å; D130-N134 PolarHBondContact O-N 2.62Å |
| 131 | A | 66.9 | Low | 67.4 | Low | 29 Ų | 29 | 91.6 Ų | 91.6 | 24% | 0.24 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -70 | -36.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L108 K127 V128 Q129 Q135 | L108-A131 HydrophobicContact CD1-CB 3.35Å; K127-A131 WeakPolarHBondContact O-CB 3.42Å; K127-A131 PolarHBondContact O-N 3.28Å; V128-A131 PolarHBondContact O-N 3.37Å; Q129-A131 PolarHBondContact O-N 3.26Å; A131-Q135 WeakPolarHBondContact O-CG 3.31Å; A131-Q135 PolarHBondContact O-N 2.97Å; A131-Q135 VanDerWaalsContact O-N 3.16Å |
| 132 | L | 63.2 | Low | 68.2 | Low | 111 Ų | 111 | 86.6 Ų | 86.6 | 58% | 0.581 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -65.6 | -40.5 | 171.6 | -121.9 | 85.7 | 0 | 0 | 0 | 111.3 | V128 Q129 Q135 S136 | V128-L132 PolarHBondContact O-N 3.09Å; Q129-L132 PolarHBondContact O-N 3.16Å; L132-Q135 PolarHBondContact O-N 3.46Å; L132-S136 PolarHBondContact O-N 2.94Å |
| 133 | Q | 71.6 | Confident | 68.8 | Low | 99 Ų | 99 | 85 Ų | 85 | 46% | 0.463 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 178.6 | -153.9 | 76.5 | 13.2 | 0 | 0 | 110.8 | Q129 D130 Q135 S136 D137 | Q129-Q133 WeakPolarHBondContact O-CB 3.34Å; Q129-Q133 PolarHBondContact O-N 3.12Å; D130-Q133 PolarHBondContact O-N 3.41Å; Q133-Q135 VanDerWaalsContact C-N 3.33Å; Q133-Q135 PolarHBondContact O-N 3.12Å; Q133-S136 WeakPolarHBondContact O-CB 3.39Å; Q133-S136 PolarHBondContact O-N 2.83Å; Q133-S136 VanDerWaalsContact O-N 3.08Å; Q133-S136 PolarHBondContact O-OG 3.14Å; Q133-D137 PolarHBondContact O-N 2.83Å |
| 134 | N | 72.1 | Confident | 69.5 | Low | 104 Ų | 104 | 81.6 Ų | 81.6 | 56% | 0.556 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67 | -31.9 | 179.2 | -154 | 7.7 | 0 | 0 | 0 | 113 | D130 S138 | D130-N134 WeakPolarHBondContact O-CB 3.35Å; D130-N134 PolarHBondContact O-N 2.62Å; N134-S138 WeakPolarHBondContact O-CB 3.44Å; N134-S138 PolarHBondContact O-N 3.14Å; N134-S138 PolarHBondContact O-OG 2.67Å |
| 135 | Q | 68.8 | Low | 70.3 | Confident | 33 Ų | 33 | 78 Ų | 78 | 15% | 0.154 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 170.5 | -75.6 | -101.1 | -45 | 0 | 0 | 111.5 | S104 A131 L132 Q133 S138 L139 | S104-Q135 PolarHBondContact OG-NE2 2.92Å; A131-Q135 WeakPolarHBondContact O-CG 3.31Å; A131-Q135 PolarHBondContact O-N 2.97Å; A131-Q135 VanDerWaalsContact O-N 3.16Å; L132-Q135 PolarHBondContact O-N 3.46Å; Q133-Q135 VanDerWaalsContact C-N 3.33Å; Q133-Q135 PolarHBondContact O-N 3.12Å; Q135-S138 PolarHBondContact O-N 2.89Å; Q135-L139 WeakPolarHBondContact O-CG 3.16Å; Q135-L139 PolarHBondContact O-N 2.88Å |
| 136 | S | 71.7 | Confident | 70.9 | Confident | 47 Ų | 47 | 76.7 Ų | 76.7 | 33% | 0.329 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 177.8 | 77.4 | 0 | 0 | 0 | 0 | 112.6 | L132 Q133 S138 L139 L140 | L132-S136 PolarHBondContact O-N 2.94Å; Q133-S136 WeakPolarHBondContact O-CB 3.39Å; Q133-S136 PolarHBondContact O-N 2.83Å; Q133-S136 VanDerWaalsContact O-N 3.08Å; Q133-S136 PolarHBondContact O-OG 3.14Å; S136-S138 PolarHBondContact O-N 3.26Å; S136-L139 PolarHBondContact O-N 3.28Å; S136-L140 PolarHBondContact O-N 3.35Å |
| 137 | D | 73 | Confident | 71.4 | Confident | 94 Ų | 94 | 74.3 Ų | 74.3 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 177.1 | -71.3 | -25 | 0 | 0 | 0 | 112 | Q133 L140 A141 | Q133-D137 PolarHBondContact O-N 2.83Å; D137-L140 PolarHBondContact O-N 3.46Å; D137-A141 PolarHBondContact O-N 3.25Å |
| 138 | S | 74.4 | Confident | 71.9 | Confident | 27 Ų | 27 | 74.7 Ų | 74.7 | 19% | 0.189 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -70.3 | -35.2 | 178.9 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | N134 Q135 S136 L142 | N134-S138 WeakPolarHBondContact O-CB 3.44Å; N134-S138 PolarHBondContact O-N 3.14Å; N134-S138 PolarHBondContact O-OG 2.67Å; Q135-S138 PolarHBondContact O-N 2.89Å; S136-S138 PolarHBondContact O-N 3.26Å; S138-L142 PolarHBondContact O-N 3.09Å; S138-L142 VanDerWaalsContact O-N 3.15Å |
| 139 | L | 70.1 | Confident | 72.3 | Confident | 95 Ų | 95 | 73 Ų | 73 | 50% | 0.497 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.4 | -40 | 171.7 | -77.3 | 170.3 | 0 | 0 | 0 | 112 | L101 Q135 S136 L142 A143 | L101-L139 HydrophobicContact CD1-CD2 4.14Å; L101-L139 HydrophobicContact CD1-CG 4.05Å; L101-L139 HydrophobicContact CD2-CD2 4.1Å; L101-L139 HydrophobicContact CD2-CG 4.46Å; Q135-L139 WeakPolarHBondContact O-CG 3.16Å; Q135-L139 PolarHBondContact O-N 2.88Å; S136-L139 PolarHBondContact O-N 3.28Å; L139-L142 WeakPolarHBondContact O-CB 3.08Å; L139-L142 PolarHBondContact O-N 3.14Å; L139-A143 PolarHBondContact O-N 2.89Å |
| 140 | L | 74.1 | Confident | 72.5 | Confident | 126 Ų | 126 | 73.1 Ų | 73.1 | 66% | 0.66 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.7 | -41.5 | 175.5 | -115.8 | 128.8 | 0 | 0 | 0 | 112 | S136 D137 L142 A143 G144 | S136-L140 PolarHBondContact O-N 3.35Å; D137-L140 PolarHBondContact O-N 3.46Å; L140-L142 VanDerWaalsContact C-N 3.3Å; L140-L142 PolarHBondContact O-N 3.34Å; L140-A143 PolarHBondContact O-N 3.3Å; L140-G144 PolarHBondContact O-N 3.05Å |
| 141 | A | 75.7 | Confident | 72.8 | Confident | 45 Ų | 45 | 69.6 Ų | 69.6 | 37% | 0.372 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.5 | -34.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D137 A145 | D137-A141 PolarHBondContact O-N 3.25Å; A141-A145 PolarHBondContact O-N 2.77Å |
| 142 | L | 73.6 | Confident | 73.3 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 17% | 0.168 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.7 | -45.4 | 176.4 | -127.7 | 143.9 | 0 | 0 | 0 | 111.4 | L94 N97 V98 L101 S138 L139 L140 G144 A145 V146 | L94-L142 HydrophobicContact CD1-CD2 3.45Å; L94-L142 VanDerWaalsContact CD1-CD2 3.45Å; L94-L142 HydrophobicContact CD1-CG 3.99Å; L94-L142 HydrophobicContact CG-CD2 4.45Å; N97-L142 HydrophobicContact CB-CD1 4.12Å; N97-L142 HydrophobicContact CB-CG 4.31Å; V98-L142 HydrophobicContact CG2-CD1 3.79Å; V98-L142 HydrophobicContact CG2-CD2 3.95Å; V98-L142 HydrophobicContact CG2-CG 4.29Å; L101-L142 HydrophobicContact CD1-CD1 4.33Å; S138-L142 PolarHBondContact O-N 3.09Å; S138-L142 VanDerWaalsContact O-N 3.15Å; L139-L142 WeakPolarHBondContact O-CB 3.08Å; L139-L142 PolarHBondContact O-N 3.14Å; L140-L142 VanDerWaalsContact C-N 3.3Å; L140-L142 PolarHBondContact O-N 3.34Å; L142-G144 VanDerWaalsContact C-N 3.32Å; L142-G144 PolarHBondContact O-N 3.34Å; L142-A145 PolarHBondContact O-N 2Å; L142-A145 VanDerWaalsContact O-N 3.11Å; L142-V146 WeakPolarHBondContact O-CG2 3.5Å; L142-V146 PolarHBondContact O-N 3.39Å |
| 143 | A | 70.7 | Confident | 73.7 | Confident | 54 Ų | 54 | 70.4 Ų | 70.4 | 45% | 0.446 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.2 | -44.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | L139 L140 A145 V146 Q147 | L139-A143 PolarHBondContact O-N 2.89Å; L140-A143 PolarHBondContact O-N 3.3Å; A143-A145 VanDerWaalsContact C-N 3.27Å; A143-A145 PolarHBondContact O-N 3.32Å; A143-V146 PolarHBondContact O-N 2.82Å; A143-Q147 PolarHBondContact O-N 2.88Å |
| 144 | G | 76.8 | Confident | 73.9 | Confident | 32 Ų | 32 | 74.8 Ų | 74.8 | 33% | 0.33 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.8 | -24.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L140 L142 R148 | L140-G144 PolarHBondContact O-N 3.05Å; L142-G144 VanDerWaalsContact C-N 3.32Å; L142-G144 PolarHBondContact O-N 3.34Å; G144-R148 WeakPolarHBondContact O-CG 2.94Å; G144-R148 PolarHBondContact O-NE 2.8Å |
| 145 | A | 75.3 | Confident | 74.2 | Confident | 2 Ų | 2 | 71.7 Ų | 71.7 | 2% | 0.017 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -79.6 | -39.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L94 A141 L142 A143 R148 L149 | L94-A145 HydrophobicContact CD1-CB 3.89Å; A141-A145 PolarHBondContact O-N 2.77Å; L142-A145 PolarHBondContact O-N 2Å; L142-A145 VanDerWaalsContact O-N 3.11Å; A143-A145 VanDerWaalsContact C-N 3.27Å; A143-A145 PolarHBondContact O-N 3.32Å; A145-R148 PolarHBondContact O-N 3.15Å; A145-L149 PolarHBondContact O-N 3.24Å; A145-L149 VanDerWaalsContact O-N 3.14Å |
| 146 | V | 73.3 | Confident | 74.5 | Confident | 61 Ų | 61 | 74.5 Ų | 74.5 | 37% | 0.37 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 175.3 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | L94 L142 A143 R148 L149 E150 | L94-V146 HydrophobicContact CD1-CG2 4.04Å; L142-V146 WeakPolarHBondContact O-CG2 3.5Å; L142-V146 PolarHBondContact O-N 3.39Å; A143-V146 PolarHBondContact O-N 2.82Å; V146-R148 VanDerWaalsContact C-N 3.26Å; V146-R148 PolarHBondContact O-N 3.12Å; V146-L149 WeakPolarHBondContact O-CB 3.25Å; V146-L149 PolarHBondContact O-N 3.32Å; V146-L149 VanDerWaalsContact O-N 3.09Å; V146-E150 PolarHBondContact O-N 3.43Å |
| 147 | Q | 74.8 | Confident | 74.7 | Confident | 135 Ų | 135 | 77.8 Ų | 77.8 | 63% | 0.631 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -58.3 | -37.6 | 177.7 | -148.5 | 95.1 | 12.5 | 0 | 0 | 112.7 | A143 G151 | A143-Q147 PolarHBondContact O-N 2.88Å; Q147-G151 PolarHBondContact O-N 2.78Å; Q147-G151 VanDerWaalsContact O-N 3.12Å |
| 148 | R | 77.3 | Confident | 75.1 | Confident | 136 Ų | 136 | 76 Ų | 76 | 51% | 0.513 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -70.4 | -37.7 | 177 | -77.8 | -177.7 | -83.2 | 142 | -10.8 | 112.2 | D90 G144 A145 V146 G151 A152 | D90-R148 IonicContact OD1-CZ 2.69Å; D90-R148 IonicContact OD1-NH1 2.91Å; D90-R148 PolarHBondContact OD1-NH1 3.35Å; G144-R148 WeakPolarHBondContact O-CG 2.94Å; G144-R148 PolarHBondContact O-NE 2.8Å; A145-R148 PolarHBondContact O-N 3.15Å; V146-R148 VanDerWaalsContact C-N 3.26Å; V146-R148 PolarHBondContact O-N 3.12Å; R148-G151 PolarHBondContact O-N 2.02Å; R148-A152 PolarHBondContact O-N 3.34Å |
| 149 | L | 74.3 | Confident | 75.6 | Confident | 48 Ų | 48 | 80.7 Ų | 80.7 | 25% | 0.251 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 174.4 | -101.7 | 156.8 | 0 | 0 | 0 | 111.8 | L91 L94 A145 V146 G151 A152 L153 | L91-L149 HydrophobicContact CD1-CD1 4.26Å; L94-L149 HydrophobicContact CD2-CD1 4.14Å; A145-L149 PolarHBondContact O-N 3.24Å; A145-L149 VanDerWaalsContact O-N 3.14Å; V146-L149 WeakPolarHBondContact O-CB 3.25Å; V146-L149 PolarHBondContact O-N 3.32Å; V146-L149 VanDerWaalsContact O-N 3.09Å; L149-G151 VanDerWaalsContact C-N 3.35Å; L149-G151 PolarHBondContact O-N 2.93Å; L149-A152 PolarHBondContact O-N 2.58Å; L149-L153 WeakPolarHBondContact O-CB 3.05Å; L149-L153 PolarHBondContact O-N 3.31Å |
| 150 | E | 74.7 | Confident | 75.9 | Confident | 105 Ų | 105 | 78.4 Ų | 78.4 | 49% | 0.491 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 174 | -73.3 | -175.1 | 159.4 | 0 | 0 | 111.7 | V146 A152 L153 W154 | V146-E150 PolarHBondContact O-N 3.43Å; E150-A152 VanDerWaalsContact C-N 3.35Å; E150-A152 PolarHBondContact O-N 3.3Å; E150-L153 WeakPolarHBondContact O-CB 3Å; E150-L153 PolarHBondContact O-N 3.08Å; E150-L153 VanDerWaalsContact O-N 3.16Å; E150-W154 PolarHBondContact O-N 2.84Å |
| 151 | G | 77.2 | Confident | 76.4 | Confident | 46 Ų | 46 | 76.1 Ų | 76.1 | 47% | 0.474 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q147 R148 L149 L153 G155 | Q147-G151 PolarHBondContact O-N 2.78Å; Q147-G151 VanDerWaalsContact O-N 3.12Å; R148-G151 PolarHBondContact O-N 2.02Å; L149-G151 VanDerWaalsContact C-N 3.35Å; L149-G151 PolarHBondContact O-N 2.93Å; G151-L153 VanDerWaalsContact C-N 3.33Å; G151-L153 PolarHBondContact O-N 3.42Å; G151-G155 PolarHBondContact O-N 2.87Å |
| 152 | A | 76.9 | Confident | 76.8 | Confident | 41 Ų | 41 | 80.3 Ų | 80.3 | 34% | 0.339 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.8 | -36 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R148 L149 E150 G155 L156 | R148-A152 PolarHBondContact O-N 3.34Å; L149-A152 PolarHBondContact O-N 2.58Å; E150-A152 VanDerWaalsContact C-N 3.35Å; E150-A152 PolarHBondContact O-N 3.3Å; A152-G155 PolarHBondContact O-N 2.94Å; A152-L156 WeakPolarHBondContact O-CG 3.48Å; A152-L156 PolarHBondContact O-N 3.42Å |
| 153 | L | 72.3 | Confident | 77.3 | Confident | 117 Ų | 117 | 82.6 Ų | 82.6 | 61% | 0.613 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -68.2 | -42.4 | 178.8 | -145 | 129.9 | 0 | 0 | 0 | 111.5 | L149 E150 G151 G155 L156 Q157 | L149-L153 WeakPolarHBondContact O-CB 3.05Å; L149-L153 PolarHBondContact O-N 3.31Å; E150-L153 WeakPolarHBondContact O-CB 3Å; E150-L153 PolarHBondContact O-N 3.08Å; E150-L153 VanDerWaalsContact O-N 3.16Å; G151-L153 VanDerWaalsContact C-N 3.33Å; G151-L153 PolarHBondContact O-N 3.42Å; L153-G155 VanDerWaalsContact C-N 3.34Å; L153-G155 PolarHBondContact O-N 3.5Å; L153-L156 PolarHBondContact O-N 3.44Å; L153-Q157 WeakPolarHBondContact O-CB 3.47Å; L153-Q157 PolarHBondContact O-N 2.76Å |
| 154 | W | 74.1 | Confident | 77.8 | Confident | 190 Ų | 190 | 87.2 Ų | 87.2 | 72% | 0.72 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.3 | -39.2 | 171.5 | -79.2 | 111.2 | 0 | 0 | 0 | 112.7 | E150 Q157 A158 | E150-W154 PolarHBondContact O-N 2.84Å; W154-Q157 PolarHBondContact O-N 3.32Å; W154-A158 WeakPolarHBondContact O-CB 3.18Å; W154-A158 PolarHBondContact O-N 3.43Å |
| 155 | G | 80.2 | Confident | 78.4 | Confident | 40 Ų | 40 | 91.9 Ų | 91.9 | 41% | 0.412 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G151 A152 L153 A158 Q159 | G151-G155 PolarHBondContact O-N 2.87Å; A152-G155 PolarHBondContact O-N 2.94Å; L153-G155 VanDerWaalsContact C-N 3.34Å; L153-G155 PolarHBondContact O-N 3.5Å; G155-A158 PolarHBondContact O-N 2.96Å; G155-Q159 WeakPolarHBondContact O-CB 3.11Å; G155-Q159 PolarHBondContact O-N 2.81Å |
| 156 | L | 73.8 | Confident | 78.9 | Confident | 92 Ų | 92 | 94.4 Ų | 94.4 | 48% | 0.482 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 175.7 | -74.9 | 169.6 | 0 | 0 | 0 | 112.3 | A152 L153 Q159 A160 | A152-L156 WeakPolarHBondContact O-CG 3.48Å; A152-L156 PolarHBondContact O-N 3.42Å; L153-L156 PolarHBondContact O-N 3.44Å; L156-Q159 PolarHBondContact O-N 3.25Å; L156-A160 WeakPolarHBondContact O-CB 3.08Å; L156-A160 PolarHBondContact O-N 3.28Å |
| 157 | Q | 77.3 | Confident | 79.4 | Confident | 116 Ų | 116 | 95.2 Ų | 95.2 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 175.9 | -167.2 | 78.5 | 6.3 | 0 | 0 | 111.2 | L153 W154 Q159 A160 V161 | L153-Q157 WeakPolarHBondContact O-CB 3.47Å; L153-Q157 PolarHBondContact O-N 2.76Å; W154-Q157 PolarHBondContact O-N 3.32Å; Q157-Q159 VanDerWaalsContact C-N 3.33Å; Q157-Q159 PolarHBondContact O-N 3.22Å; Q157-A160 PolarHBondContact O-N 2.79Å; Q157-V161 WeakPolarHBondContact O-CG2 3.38Å; Q157-V161 PolarHBondContact O-N 3.4Å; Q157-V161 VanDerWaalsContact O-N 3.15Å |
| 158 | A | 81.3 | Confident | 79.8 | Confident | 57 Ų | 57 | 91 Ų | 91 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | W154 G155 V161 Q162 | W154-A158 WeakPolarHBondContact O-CB 3.18Å; W154-A158 PolarHBondContact O-N 3.43Å; G155-A158 PolarHBondContact O-N 2.96Å; A158-V161 PolarHBondContact O-N 2.81Å; A158-Q162 PolarHBondContact O-N 3.39Å; A158-Q162 VanDerWaalsContact O-N 3.13Å |
| 159 | Q | 84.4 | Confident | 80.5 | Confident | 124 Ų | 124 | 90 Ų | 90 | 58% | 0.579 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -69.4 | -36.9 | 178.2 | -166.9 | 150.1 | 7.3 | 0 | 0 | 112.4 | G155 L156 Q157 V161 Q162 T163 | G155-Q159 WeakPolarHBondContact O-CB 3.11Å; G155-Q159 PolarHBondContact O-N 2.81Å; L156-Q159 PolarHBondContact O-N 3.25Å; Q157-Q159 VanDerWaalsContact C-N 3.33Å; Q157-Q159 PolarHBondContact O-N 3.22Å; Q159-V161 VanDerWaalsContact C-N 3.34Å; Q159-V161 PolarHBondContact O-N 3.46Å; Q159-Q162 PolarHBondContact O-N 3.24Å; Q159-T163 WeakPolarHBondContact O-CG2 3.31Å; Q159-T163 PolarHBondContact O-N 2.85Å; Q159-T163 PolarHBondContact O-OG1 2.91Å |
| 160 | A | 76.8 | Confident | 81 | Confident | 48 Ų | 48 | 93 Ų | 93 | 40% | 0.397 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L156 Q157 Q162 T163 E164 | L156-A160 WeakPolarHBondContact O-CB 3.08Å; L156-A160 PolarHBondContact O-N 3.28Å; Q157-A160 PolarHBondContact O-N 2.79Å; A160-Q162 PolarHBondContact O-N 3.04Å; A160-T163 WeakPolarHBondContact CA-OG1 3.2Å; A160-T163 PolarHBondContact O-N 3.35Å; A160-T163 PolarHBondContact O-OG1 3.34Å; A160-E164 WeakPolarHBondContact O-CG 3.32Å; A160-E164 PolarHBondContact O-N 2.99Å |
| 161 | V | 83.8 | Confident | 81.4 | Confident | 78 Ų | 78 | 96.4 Ų | 96.4 | 47% | 0.473 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 176.8 | 173.7 | 0 | 0 | 0 | 0 | 111.9 | Q157 A158 Q159 T163 E164 Q165 | Q157-V161 WeakPolarHBondContact O-CG2 3.38Å; Q157-V161 PolarHBondContact O-N 3.4Å; Q157-V161 VanDerWaalsContact O-N 3.15Å; A158-V161 PolarHBondContact O-N 2.81Å; Q159-V161 VanDerWaalsContact C-N 3.34Å; Q159-V161 PolarHBondContact O-N 3.46Å; V161-T163 VanDerWaalsContact C-N 3.34Å; V161-T163 PolarHBondContact O-N 2.57Å; V161-E164 PolarHBondContact O-N 3.43Å; V161-Q165 PolarHBondContact O-N 2.8Å; V161-Q165 VanDerWaalsContact O-N 3.1Å |
| 162 | Q | 85.3 | Confident | 82 | Confident | 133 Ų | 133 | 99.9 Ų | 99.9 | 62% | 0.621 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.2 | -37.9 | 175.5 | -73 | -172.1 | -10 | 0 | 0 | 112.4 | A158 Q159 A160 Q165 A166 | A158-Q162 PolarHBondContact O-N 3.39Å; A158-Q162 VanDerWaalsContact O-N 3.13Å; Q159-Q162 PolarHBondContact O-N 3.24Å; A160-Q162 PolarHBondContact O-N 3.04Å; Q162-Q165 PolarHBondContact O-N 3.49Å; Q162-A166 PolarHBondContact O-N 2.9Å |
| 163 | T | 82.4 | Confident | 82.6 | Confident | 80 Ų | 80 | 105.7 Ų | 105.7 | 49% | 0.491 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.9 | -38.9 | 176.6 | 54.7 | 0 | 0 | 0 | 0 | 112.4 | Q159 A160 V161 Q165 A166 V167 | Q159-T163 WeakPolarHBondContact O-CG2 3.31Å; Q159-T163 PolarHBondContact O-N 2.85Å; Q159-T163 PolarHBondContact O-OG1 2.91Å; A160-T163 WeakPolarHBondContact CA-OG1 3.2Å; A160-T163 PolarHBondContact O-N 3.35Å; A160-T163 PolarHBondContact O-OG1 3.34Å; V161-T163 VanDerWaalsContact C-N 3.34Å; V161-T163 PolarHBondContact O-N 2.57Å; T163-Q165 VanDerWaalsContact C-N 3.35Å; T163-Q165 PolarHBondContact O-N 2.69Å; T163-A166 PolarHBondContact O-N 3.21Å; T163-V167 VanDerWaalsContact O-CG2 3.28Å; T163-V167 WeakPolarHBondContact O-CG2 3.4Å; T163-V167 PolarHBondContact O-N 2.73Å |
| 164 | E | 81.1 | Confident | 83 | Confident | 150 Ų | 150 | 104.2 Ų | 104.2 | 70% | 0.701 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.2 | -45.5 | 173.7 | -77.5 | -99.9 | 145.2 | 0 | 0 | 111.3 | A160 V161 V167 A168 | A160-E164 WeakPolarHBondContact O-CG 3.32Å; A160-E164 PolarHBondContact O-N 2.99Å; V161-E164 PolarHBondContact O-N 3.43Å; E164-V167 PolarHBondContact O-N 2.85Å; E164-A168 WeakPolarHBondContact O-CB 3.35Å; E164-A168 PolarHBondContact O-N 3.36Å |
| 165 | Q | 89.1 | Confident | 83.4 | Confident | 130 Ų | 130 | 96.6 Ų | 96.6 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.5 | -42 | 176.9 | -75.4 | 178 | -13.6 | 0 | 0 | 112.6 | V161 Q162 T163 V167 A168 L169 | V161-Q165 PolarHBondContact O-N 2.8Å; V161-Q165 VanDerWaalsContact O-N 3.1Å; Q162-Q165 PolarHBondContact O-N 3.49Å; T163-Q165 VanDerWaalsContact C-N 3.35Å; T163-Q165 PolarHBondContact O-N 2.69Å; Q165-V167 VanDerWaalsContact C-N 3.34Å; Q165-V167 PolarHBondContact O-N 3.37Å; Q165-A168 PolarHBondContact O-N 2.93Å; Q165-L169 WeakPolarHBondContact O-CB 3.35Å; Q165-L169 PolarHBondContact O-N 3.49Å |
| 166 | A | 85.8 | Confident | 83.8 | Confident | 55 Ų | 55 | 101.7 Ų | 101.7 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q162 T163 L169 L170 | Q162-A166 PolarHBondContact O-N 2.9Å; T163-A166 PolarHBondContact O-N 3.21Å; A166-L169 PolarHBondContact O-N 2.95Å; A166-L170 WeakPolarHBondContact O-CG 3.32Å; A166-L170 PolarHBondContact O-N 3.21Å |
| 167 | V | 84.5 | Confident | 84.3 | Confident | 79 Ų | 79 | 103.8 Ų | 103.8 | 48% | 0.479 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 176 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | T163 E164 Q165 L170 R171 | T163-V167 VanDerWaalsContact O-CG2 3.28Å; T163-V167 WeakPolarHBondContact O-CG2 3.4Å; T163-V167 PolarHBondContact O-N 2.73Å; E164-V167 PolarHBondContact O-N 2.85Å; Q165-V167 VanDerWaalsContact C-N 3.34Å; Q165-V167 PolarHBondContact O-N 3.37Å; V167-L170 PolarHBondContact O-N 2.96Å; V167-R171 WeakPolarHBondContact O-CB 3.25Å; V167-R171 PolarHBondContact O-N 3.5Å |
| 168 | A | 83.3 | Confident | 84.7 | Confident | 46 Ų | 46 | 101 Ų | 101 | 38% | 0.38 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E164 Q165 L170 R171 D172 | E164-A168 WeakPolarHBondContact O-CB 3.35Å; E164-A168 PolarHBondContact O-N 3.36Å; Q165-A168 PolarHBondContact O-N 2.93Å; A168-L170 PolarHBondContact O-N 3.05Å; A168-R171 WeakPolarHBondContact O-CB 3.36Å; A168-R171 PolarHBondContact O-N 3.33Å; A168-D172 PolarHBondContact O-N 3.34Å |
| 169 | L | 92.5 | Very high | 85 | Confident | 114 Ų | 114 | 103.5 Ų | 103.5 | 60% | 0.597 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.4 | -36.6 | 180 | -157.4 | 146.6 | 0 | 0 | 0 | 112.3 | Q165 A166 R173 | Q165-L169 WeakPolarHBondContact O-CB 3.35Å; Q165-L169 PolarHBondContact O-N 3.49Å; A166-L169 PolarHBondContact O-N 2.95Å; L169-R173 WeakPolarHBondContact O-CB 3.49Å; L169-R173 PolarHBondContact O-N 2.73Å |
| 170 | L | 84.9 | Confident | 85.1 | Confident | 113 Ų | 113 | 100.6 Ų | 100.6 | 59% | 0.592 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.6 | -43.8 | 171 | -77.6 | 169.6 | 0 | 0 | 0 | 111.7 | A166 V167 A168 R173 T174 | A166-L170 WeakPolarHBondContact O-CG 3.32Å; A166-L170 PolarHBondContact O-N 3.21Å; V167-L170 PolarHBondContact O-N 2.96Å; A168-L170 PolarHBondContact O-N 3.05Å; L170-R173 PolarHBondContact O-N 2.98Å; L170-T174 PolarHBondContact O-N 3.14Å; L170-T174 PolarHBondContact O-OG1 3.17Å |
| 171 | R | 83.4 | Confident | 85.3 | Confident | 176 Ų | 176 | 100.9 Ų | 100.9 | 66% | 0.664 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.6 | -47.5 | 177.6 | -179.3 | 176.8 | -75.8 | 151.2 | -3.4 | 111.3 | V167 A168 R173 T174 G175 | V167-R171 WeakPolarHBondContact O-CB 3.25Å; V167-R171 PolarHBondContact O-N 3.5Å; A168-R171 WeakPolarHBondContact O-CB 3.36Å; A168-R171 PolarHBondContact O-N 3.33Å; R171-R173 VanDerWaalsContact C-N 3.34Å; R171-R173 PolarHBondContact O-N 2.97Å; R171-T174 WeakPolarHBondContact CA-OG1 3.26Å; R171-T174 PolarHBondContact O-N 3.25Å; R171-T174 PolarHBondContact O-OG1 2.91Å; R171-G175 PolarHBondContact O-N 2.87Å |
| 172 | D | 89.9 | Confident | 85.4 | Confident | 119 Ų | 119 | 102.8 Ų | 102.8 | 64% | 0.636 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.3 | -44.7 | 176.9 | -81.9 | 2.6 | 0 | 0 | 0 | 111.3 | A168 T174 G175 Q176 | A168-D172 PolarHBondContact O-N 3.34Å; D172-T174 PolarHBondContact O-N 2.82Å; D172-G175 PolarHBondContact O-N 2.04Å; D172-Q176 WeakPolarHBondContact O-CB 3.25Å; D172-Q176 PolarHBondContact O-N 2.79Å |
| 173 | R | 89.4 | Confident | 85.4 | Confident | 162 Ų | 162 | 98.3 Ų | 98.3 | 61% | 0.611 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.4 | -39.3 | 179.5 | -161.3 | 172.8 | -166 | 150 | 3.1 | 112.4 | L169 L170 R171 Q177 | L169-R173 WeakPolarHBondContact O-CB 3.49Å; L169-R173 PolarHBondContact O-N 2.73Å; L170-R173 PolarHBondContact O-N 2.98Å; R171-R173 VanDerWaalsContact C-N 3.34Å; R171-R173 PolarHBondContact O-N 2.97Å; R173-Q177 PolarHBondContact O-N 3.47Å; R173-Q177 VanDerWaalsContact O-N 3.09Å |
| 174 | T | 79 | Confident | 85.8 | Confident | 86 Ų | 86 | 101.1 Ų | 101.1 | 53% | 0.528 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.4 | -37.3 | 174 | 48.6 | 0 | 0 | 0 | 0 | 112.4 | L170 R171 D172 Q177 S178 | L170-T174 PolarHBondContact O-N 3.14Å; L170-T174 PolarHBondContact O-OG1 3.17Å; R171-T174 WeakPolarHBondContact CA-OG1 3.26Å; R171-T174 PolarHBondContact O-N 3.25Å; R171-T174 PolarHBondContact O-OG1 2.91Å; D172-T174 PolarHBondContact O-N 2.82Å; T174-Q177 PolarHBondContact O-N 3.34Å; T174-S178 PolarHBondContact O-N 3.15Å |
| 175 | G | 82.9 | Confident | 85.9 | Confident | 31 Ų | 31 | 99.5 Ų | 99.5 | 32% | 0.32 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | R171 D172 Q177 S178 D179 | R171-G175 PolarHBondContact O-N 2.87Å; D172-G175 PolarHBondContact O-N 2.04Å; G175-Q177 VanDerWaalsContact C-N 3.31Å; G175-Q177 PolarHBondContact O-N 3.34Å; G175-S178 WeakPolarHBondContact O-CB 3.41Å; G175-S178 PolarHBondContact O-N 3.02Å; G175-S178 VanDerWaalsContact O-N 3.09Å; G175-D179 PolarHBondContact O-N 3.01Å |
| 176 | Q | 88.5 | Confident | 85.6 | Confident | 147 Ų | 147 | 101.4 Ų | 101.4 | 69% | 0.687 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.5 | -37.6 | 179 | -135.9 | 176.1 | 10.6 | 0 | 0 | 113 | D172 A180 | D172-Q176 WeakPolarHBondContact O-CB 3.25Å; D172-Q176 PolarHBondContact O-N 2.79Å; Q176-A180 WeakPolarHBondContact O-CB 3.31Å; Q176-A180 PolarHBondContact O-N 3.4Å |
| 177 | Q | 84.8 | Confident | 85.8 | Confident | 135 Ų | 135 | 105.1 Ų | 105.1 | 63% | 0.631 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.8 | -38.4 | 174.1 | -77.9 | -173.6 | -31.1 | 0 | 0 | 112.6 | R173 T174 G175 A181 | R173-Q177 PolarHBondContact O-N 3.47Å; R173-Q177 VanDerWaalsContact O-N 3.09Å; T174-Q177 PolarHBondContact O-N 3.34Å; G175-Q177 VanDerWaalsContact C-N 3.31Å; G175-Q177 PolarHBondContact O-N 3.34Å; Q177-A181 WeakPolarHBondContact O-CB 3.04Å; Q177-A181 PolarHBondContact O-N 3.29Å |
| 178 | S | 85.1 | Confident | 85.6 | Confident | 58 Ų | 58 | 106.6 Ų | 106.6 | 41% | 0.406 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.1 | -47.4 | 174.4 | -174.8 | 0 | 0 | 0 | 0 | 111.1 | T174 G175 A180 A181 Q182 | T174-S178 PolarHBondContact O-N 3.15Å; G175-S178 WeakPolarHBondContact O-CB 3.41Å; G175-S178 PolarHBondContact O-N 3.02Å; G175-S178 VanDerWaalsContact O-N 3.09Å; S178-A180 PolarHBondContact O-N 3.31Å; S178-A181 PolarHBondContact O-N 2.9Å; S178-Q182 WeakPolarHBondContact O-CB 3.4Å; S178-Q182 PolarHBondContact O-N 3.24Å; S178-Q182 PolarHBondContact O-OE1 3.32Å; S178-Q182 PolarHBondContact OG-OE1 2.87Å |
| 179 | D | 88.4 | Confident | 85.8 | Confident | 110 Ų | 110 | 109.4 Ų | 109.4 | 59% | 0.588 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.6 | -41.9 | -179.5 | -68.2 | -18.7 | 0 | 0 | 0 | 111.5 | G175 Q182 G183 | G175-D179 PolarHBondContact O-N 3.01Å; D179-Q182 PolarHBondContact O-N 3.34Å; D179-G183 PolarHBondContact O-N 2.88Å |
| 180 | A | 85.9 | Confident | 85.6 | Confident | 62 Ų | 62 | 107.5 Ų | 107.5 | 51% | 0.512 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.1 | -45.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q176 S178 Q182 G183 E184 | Q176-A180 WeakPolarHBondContact O-CB 3.31Å; Q176-A180 PolarHBondContact O-N 3.4Å; S178-A180 PolarHBondContact O-N 3.31Å; A180-Q182 PolarHBondContact O-N 3.26Å; A180-G183 PolarHBondContact O-N 2.97Å; A180-E184 PolarHBondContact O-N 2.8Å |
| 181 | A | 81.6 | Confident | 85.7 | Confident | 54 Ų | 54 | 108.2 Ų | 108.2 | 45% | 0.446 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.2 | -40 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q177 S178 G183 E184 L185 | Q177-A181 WeakPolarHBondContact O-CB 3.04Å; Q177-A181 PolarHBondContact O-N 3.29Å; S178-A181 PolarHBondContact O-N 2.9Å; A181-G183 VanDerWaalsContact C-N 3.35Å; A181-E184 PolarHBondContact O-N 3.06Å; A181-L185 WeakPolarHBondContact O-CB 3.05Å; A181-L185 PolarHBondContact O-N 2.94Å |
| 182 | Q | 84.6 | Confident | 85.8 | Confident | 119 Ų | 119 | 102 Ų | 102 | 56% | 0.556 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.2 | -36.3 | 174.7 | -85.6 | 165 | -55.6 | 0 | 0 | 112.3 | S178 D179 A180 L185 Y186 | S178-Q182 WeakPolarHBondContact O-CB 3.4Å; S178-Q182 PolarHBondContact O-N 3.24Å; S178-Q182 PolarHBondContact O-OE1 3.32Å; S178-Q182 PolarHBondContact OG-OE1 2.87Å; D179-Q182 PolarHBondContact O-N 3.34Å; A180-Q182 PolarHBondContact O-N 3.26Å; Q182-L185 PolarHBondContact O-N 3.03Å; Q182-Y186 WeakPolarHBondContact O-CB 3.46Å; Q182-Y186 PolarHBondContact O-N 3.09Å |
| 183 | G | 87.3 | Confident | 85.7 | Confident | 38 Ų | 38 | 100.4 Ų | 100.4 | 39% | 0.392 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D179 A180 A181 Y186 Q187 | D179-G183 PolarHBondContact O-N 2.88Å; A180-G183 PolarHBondContact O-N 2.97Å; A181-G183 VanDerWaalsContact C-N 3.35Å; G183-Y186 PolarHBondContact O-N 3.17Å; G183-Q187 PolarHBondContact O-N 3.33Å |
| 184 | E | 89.2 | Confident | 85.6 | Confident | 140 Ų | 140 | 96.5 Ų | 96.5 | 65% | 0.654 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.3 | -42.5 | 176.4 | -70.2 | -160.1 | 163.9 | 0 | 0 | 112.2 | A180 A181 Y186 Q187 L188 | A180-E184 PolarHBondContact O-N 2.8Å; A181-E184 PolarHBondContact O-N 3.06Å; E184-Y186 VanDerWaalsContact C-N 3.3Å; E184-Y186 PolarHBondContact O-N 3.14Å; E184-Q187 PolarHBondContact O-N 3.22Å; E184-L188 WeakPolarHBondContact O-CG 3.44Å; E184-L188 PolarHBondContact O-N 3.03Å |
| 185 | L | 83.1 | Confident | 85.9 | Confident | 116 Ų | 116 | 95.2 Ų | 95.2 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.1 | -41 | 175.1 | -113.5 | 151.8 | 0 | 0 | 0 | 111.9 | A181 Q182 L188 Q189 | A181-L185 WeakPolarHBondContact O-CB 3.05Å; A181-L185 PolarHBondContact O-N 2.94Å; Q182-L185 PolarHBondContact O-N 3.03Å; L185-L188 PolarHBondContact O-N 3.3Å; L185-Q189 WeakPolarHBondContact O-CB 3.46Å; L185-Q189 PolarHBondContact O-N 3.46Å |
| 186 | Y | 83.1 | Confident | 86.1 | Confident | 170 Ų | 170 | 98.3 Ų | 98.3 | 67% | 0.667 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.8 | -41.7 | 176.2 | -173.1 | -96.2 | 0 | 0 | 0 | 111.9 | Q182 G183 E184 Q189 V190 | Q182-Y186 WeakPolarHBondContact O-CB 3.46Å; Q182-Y186 PolarHBondContact O-N 3.09Å; G183-Y186 PolarHBondContact O-N 3.17Å; E184-Y186 VanDerWaalsContact C-N 3.3Å; E184-Y186 PolarHBondContact O-N 3.14Å; Y186-Q189 PolarHBondContact O-N 3.06Å; Y186-V190 HydrophobicContact CD1-CG2 4.13Å; Y186-V190 HydrophobicContact CE1-CG2 3.77Å; Y186-V190 WeakPolarHBondContact O-CG2 3.43Å; Y186-V190 PolarHBondContact O-N 2.96Å |
| 187 | Q | 89.6 | Confident | 85.9 | Confident | 133 Ų | 133 | 97.4 Ų | 97.4 | 62% | 0.621 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.1 | -47.5 | 174.4 | -78.7 | -155.9 | -9.7 | 0 | 0 | 112 | G183 E184 Q189 V190 E191 | G183-Q187 PolarHBondContact O-N 3.33Å; E184-Q187 PolarHBondContact O-N 3.22Å; Q187-Q189 VanDerWaalsContact C-N 3.27Å; Q187-Q189 PolarHBondContact O-N 3.18Å; Q187-V190 PolarHBondContact O-N 3.11Å; Q187-V190 VanDerWaalsContact O-N 3.12Å; Q187-E191 PolarHBondContact O-N 3.23Å |
| 188 | L | 80.9 | Confident | 86.1 | Confident | 109 Ų | 109 | 95.7 Ų | 95.7 | 57% | 0.571 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.4 | -38.1 | 177 | -71.5 | 171.3 | 0 | 0 | 0 | 111.9 | E184 L185 E191 S192 | E184-L188 WeakPolarHBondContact O-CG 3.44Å; E184-L188 PolarHBondContact O-N 3.03Å; L185-L188 PolarHBondContact O-N 3.3Å; L188-E191 PolarHBondContact O-N 2.97Å; L188-S192 WeakPolarHBondContact O-CB 3.5Å; L188-S192 PolarHBondContact O-N 3Å |
| 189 | Q | 86.8 | Confident | 86.2 | Confident | 106 Ų | 106 | 98.7 Ų | 98.7 | 50% | 0.495 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 175.6 | -169.9 | 74.4 | -5.4 | 0 | 0 | 111.8 | L185 Y186 Q187 N193 | L185-Q189 WeakPolarHBondContact O-CB 3.46Å; L185-Q189 PolarHBondContact O-N 3.46Å; Y186-Q189 PolarHBondContact O-N 3.06Å; Q187-Q189 VanDerWaalsContact C-N 3.27Å; Q187-Q189 PolarHBondContact O-N 3.18Å; Q189-N193 WeakPolarHBondContact O-CB 3.49Å; Q189-N193 VanDerWaalsContact O-CG 3.3Å; Q189-N193 PolarHBondContact O-N 3.35Å; Q189-N193 PolarHBondContact O-ND2 3.39Å |
| 190 | V | 89.2 | Confident | 86.2 | Confident | 74 Ų | 74 | 102.6 Ų | 102.6 | 45% | 0.448 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 177 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | Y186 Q187 N193 S194 | Y186-V190 HydrophobicContact CD1-CG2 4.13Å; Y186-V190 HydrophobicContact CE1-CG2 3.77Å; Y186-V190 WeakPolarHBondContact O-CG2 3.43Å; Y186-V190 PolarHBondContact O-N 2.96Å; Q187-V190 PolarHBondContact O-N 3.11Å; Q187-V190 VanDerWaalsContact O-N 3.12Å; V190-N193 PolarHBondContact O-N 2.92Å; V190-S194 WeakPolarHBondContact O-CB 3.5Å; V190-S194 PolarHBondContact O-N 3.33Å |
| 191 | E | 86.9 | Confident | 86.4 | Confident | 128 Ų | 128 | 108.3 Ų | 108.3 | 60% | 0.598 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.8 | -41.5 | 176.1 | -72.4 | -170.7 | 164.5 | 0 | 0 | 112.2 | Q187 L188 S194 S195 | Q187-E191 PolarHBondContact O-N 3.23Å; L188-E191 PolarHBondContact O-N 2.97Å; E191-S194 PolarHBondContact O-N 3.39Å; E191-S195 WeakPolarHBondContact O-CB 3.43Å; E191-S195 PolarHBondContact O-N 3.01Å; E191-S195 PolarHBondContact O-OG 3.33Å |
| 192 | S | 86.1 | Confident | 86.8 | Confident | 45 Ų | 45 | 110.4 Ų | 110.4 | 32% | 0.315 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.1 | -47.5 | 172.8 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | L188 S194 S195 Q196 | L188-S192 WeakPolarHBondContact O-CB 3.5Å; L188-S192 PolarHBondContact O-N 3Å; S192-S194 PolarHBondContact O-N 3.47Å; S192-S195 WeakPolarHBondContact CA-OG 3.44Å; S192-S195 PolarHBondContact O-N 3.38Å; S192-S195 PolarHBondContact O-OG 2.93Å; S192-Q196 WeakPolarHBondContact O-CB 3.49Å; S192-Q196 WeakPolarHBondContact O-CG 3.27Å; S192-Q196 PolarHBondContact O-N 2.86Å |
| 193 | N | 87.5 | Confident | 87 | Confident | 85 Ų | 85 | 107.4 Ų | 107.4 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 177.8 | -77.9 | -22.4 | 0 | 0 | 0 | 112.3 | Q189 V190 Q196 L197 | Q189-N193 WeakPolarHBondContact O-CB 3.49Å; Q189-N193 VanDerWaalsContact O-CG 3.3Å; Q189-N193 PolarHBondContact O-N 3.35Å; Q189-N193 PolarHBondContact O-ND2 3.39Å; V190-N193 PolarHBondContact O-N 2.92Å; N193-Q196 PolarHBondContact O-N 3.41Å; N193-L197 WeakPolarHBondContact O-CB 3.26Å; N193-L197 PolarHBondContact O-N 3.24Å |
| 194 | S | 86.8 | Confident | 87.2 | Confident | 80 Ų | 80 | 107.9 Ų | 107.9 | 56% | 0.559 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.5 | -46.1 | 176.1 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | V190 E191 S192 L197 L198 | V190-S194 WeakPolarHBondContact O-CB 3.5Å; V190-S194 PolarHBondContact O-N 3.33Å; E191-S194 PolarHBondContact O-N 3.39Å; S192-S194 PolarHBondContact O-N 3.47Å; S194-L197 WeakPolarHBondContact O-CB 3.5Å; S194-L197 PolarHBondContact O-N 2.98Å; S194-L198 PolarHBondContact O-N 2.72Å |
| 195 | S | 85.6 | Confident | 87.3 | Confident | 60 Ų | 60 | 106 Ų | 106 | 42% | 0.42 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.9 | -36.4 | 177.9 | 45.1 | 0 | 0 | 0 | 0 | 112.4 | E191 S192 L197 L198 L199 | E191-S195 WeakPolarHBondContact O-CB 3.43Å; E191-S195 PolarHBondContact O-N 3.01Å; E191-S195 PolarHBondContact O-OG 3.33Å; S192-S195 WeakPolarHBondContact CA-OG 3.44Å; S192-S195 PolarHBondContact O-N 3.38Å; S192-S195 PolarHBondContact O-OG 2.93Å; S195-L197 PolarHBondContact O-N 3Å; S195-L198 WeakPolarHBondContact O-CB 3.33Å; S195-L198 PolarHBondContact O-N 2.94Å; S195-L199 WeakPolarHBondContact O-CG 3.04Å; S195-L199 PolarHBondContact O-N 3.35Å |
| 196 | Q | 86.4 | Confident | 87.6 | Confident | 95 Ų | 95 | 106 Ų | 106 | 44% | 0.444 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 169.9 | -75.8 | -175.8 | 7.5 | 0 | 0 | 112.7 | S192 N193 L198 L199 R200 | S192-Q196 WeakPolarHBondContact O-CB 3.49Å; S192-Q196 WeakPolarHBondContact O-CG 3.27Å; S192-Q196 PolarHBondContact O-N 2.86Å; N193-Q196 PolarHBondContact O-N 3.41Å; Q196-L198 VanDerWaalsContact C-N 3.34Å; Q196-L199 PolarHBondContact O-N 3.47Å; Q196-R200 WeakPolarHBondContact O-CG 3.33Å; Q196-R200 PolarHBondContact O-N 3.39Å |
| 197 | L | 85.2 | Confident | 88 | Confident | 129 Ų | 129 | 101.7 Ų | 101.7 | 68% | 0.675 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.8 | -40.8 | 176.8 | -152.8 | 104.7 | 0 | 0 | 0 | 111.1 | N193 S194 S195 R200 R201 | N193-L197 WeakPolarHBondContact O-CB 3.26Å; N193-L197 PolarHBondContact O-N 3.24Å; S194-L197 WeakPolarHBondContact O-CB 3.5Å; S194-L197 PolarHBondContact O-N 2.98Å; S195-L197 PolarHBondContact O-N 3Å; L197-R200 PolarHBondContact O-N 3.15Å; L197-R201 PolarHBondContact O-N 3.23Å |
| 198 | L | 89.9 | Confident | 88.1 | Confident | 99 Ų | 99 | 96.5 Ų | 96.5 | 52% | 0.518 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 174.6 | -169 | 81.5 | 0 | 0 | 0 | 111.6 | S194 S195 Q196 R201 H202 | S194-L198 PolarHBondContact O-N 2.72Å; S195-L198 WeakPolarHBondContact O-CB 3.33Å; S195-L198 PolarHBondContact O-N 2.94Å; Q196-L198 VanDerWaalsContact C-N 3.34Å; L198-R201 PolarHBondContact O-N 3.34Å; L198-H202 PolarHBondContact O-N 3Å; L198-H202 PolarHBondContact O-ND1 3.18Å |
| 199 | L | 86.2 | Confident | 88.5 | Confident | 121 Ų | 121 | 96.1 Ų | 96.1 | 63% | 0.634 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.2 | -42.6 | 177 | -75 | 170.6 | 0 | 0 | 0 | 111.7 | S195 Q196 R201 H202 A203 | S195-L199 WeakPolarHBondContact O-CG 3.04Å; S195-L199 PolarHBondContact O-N 3.35Å; Q196-L199 PolarHBondContact O-N 3.47Å; L199-R201 VanDerWaalsContact C-N 3.31Å; L199-R201 PolarHBondContact O-N 3.29Å; L199-H202 PolarHBondContact O-N 3.13Å; L199-A203 WeakPolarHBondContact O-CB 3.48Å; L199-A203 PolarHBondContact O-N 3.47Å |
| 200 | R | 87.6 | Confident | 88.6 | Confident | 192 Ų | 192 | 93.9 Ų | 93.9 | 73% | 0.725 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.5 | -39.7 | 174 | -75.5 | -176.8 | -178.4 | -178.1 | 2.3 | 112.1 | Q196 L197 A203 G204 | Q196-R200 WeakPolarHBondContact O-CG 3.33Å; Q196-R200 PolarHBondContact O-N 3.39Å; L197-R200 PolarHBondContact O-N 3.15Å; R200-A203 PolarHBondContact O-N 3.2Å; R200-G204 PolarHBondContact O-N 3.16Å |
| 201 | R | 90.5 | Very high | 88.6 | Confident | 182 Ų | 182 | 98.4 Ų | 98.4 | 69% | 0.687 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.7 | -44.7 | 175.4 | -173.2 | 174.9 | 179.9 | 179.4 | -0.6 | 111.8 | L197 L198 L199 G204 L205 | L197-R201 PolarHBondContact O-N 3.23Å; L198-R201 PolarHBondContact O-N 3.34Å; L199-R201 VanDerWaalsContact C-N 3.31Å; L199-R201 PolarHBondContact O-N 3.29Å; R201-G204 PolarHBondContact O-N 3.07Å; R201-L205 WeakPolarHBondContact O-CG 3.4Å; R201-L205 PolarHBondContact O-N 3.2Å |
| 202 | H | 91.3 | Very high | 88.9 | Confident | 97 Ų | 97 | 100.7 Ų | 100.7 | 45% | 0.449 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 175.9 | -77.4 | 88.1 | 0 | 0 | 0 | 112.2 | L198 L199 G204 L205 L206 | L198-H202 PolarHBondContact O-N 3Å; L198-H202 PolarHBondContact O-ND1 3.18Å; L199-H202 PolarHBondContact O-N 3.13Å; H202-G204 VanDerWaalsContact C-N 3.32Å; H202-G204 PolarHBondContact O-N 3.45Å; H202-L205 PolarHBondContact O-N 3.05Å; H202-L206 WeakPolarHBondContact O-CB 3.41Å; H202-L206 WeakPolarHBondContact O-CG 3.41Å; H202-L206 PolarHBondContact O-N 3.43Å |
| 203 | A | 88.8 | Confident | 89.2 | Confident | 57 Ų | 57 | 103.2 Ų | 103.2 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L199 R200 L206 D207 | L199-A203 WeakPolarHBondContact O-CB 3.48Å; L199-A203 PolarHBondContact O-N 3.47Å; R200-A203 PolarHBondContact O-N 3.2Å; A203-L206 PolarHBondContact O-N 2.86Å; A203-D207 PolarHBondContact O-N 2.79Å |
| 204 | G | 90 | Very high | 89.3 | Confident | 47 Ų | 47 | 101.1 Ų | 101.1 | 49% | 0.485 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R200 R201 H202 G208 | R200-G204 PolarHBondContact O-N 3.16Å; R201-G204 PolarHBondContact O-N 3.07Å; H202-G204 VanDerWaalsContact C-N 3.32Å; H202-G204 PolarHBondContact O-N 3.45Å; G204-G208 PolarHBondContact O-N 3.27Å |
| 205 | L | 91.8 | Very high | 89.4 | Confident | 101 Ų | 101 | 101.1 Ų | 101.1 | 53% | 0.529 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 174.4 | -70.9 | 174.1 | 0 | 0 | 0 | 111.9 | R201 H202 G208 L209 | R201-L205 WeakPolarHBondContact O-CG 3.4Å; R201-L205 PolarHBondContact O-N 3.2Å; H202-L205 PolarHBondContact O-N 3.05Å; L205-G208 PolarHBondContact O-N 2.69Å; L205-L209 WeakPolarHBondContact O-CG 3.02Å; L205-L209 PolarHBondContact O-N 3.03Å |
| 206 | L | 90.3 | Very high | 89.6 | Confident | 115 Ų | 115 | 103.4 Ų | 103.4 | 60% | 0.602 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.6 | -41.7 | 176.8 | -73 | 171.1 | 0 | 0 | 0 | 111.8 | H202 A203 G208 L209 A210 | H202-L206 WeakPolarHBondContact O-CB 3.41Å; H202-L206 WeakPolarHBondContact O-CG 3.41Å; H202-L206 PolarHBondContact O-N 3.43Å; A203-L206 PolarHBondContact O-N 2.86Å; L206-G208 VanDerWaalsContact C-N 3.33Å; L206-G208 PolarHBondContact O-N 3.1Å; L206-L209 PolarHBondContact O-N 3.01Å; L206-A210 WeakPolarHBondContact O-CB 3.45Å; L206-A210 PolarHBondContact O-N 3.3Å |
| 207 | D | 90 | Very high | 89.7 | Confident | 80 Ų | 80 | 100.7 Ų | 100.7 | 43% | 0.428 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 174.5 | -166.4 | 51.3 | 0 | 0 | 0 | 111.2 | A203 L209 A210 R211 | A203-D207 PolarHBondContact O-N 2.79Å; D207-L209 PolarHBondContact O-N 2.99Å; D207-A210 PolarHBondContact O-N 2.94Å; D207-R211 WeakPolarHBondContact O-CG 3.45Å; D207-R211 PolarHBondContact O-N 3.07Å; D207-R211 IonicContact OD2-CZ 2.75Å; D207-R211 IonicContact OD2-NE 2.8Å; D207-R211 PolarHBondContact OD2-NE 3.42Å; D207-R211 IonicContact OD2-NH2 4Å; D207-R211 PolarHBondContact OD2-NH2 3.39Å |
| 208 | G | 91.5 | Very high | 89.8 | Confident | 24 Ų | 24 | 101.3 Ų | 101.3 | 25% | 0.247 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -63.5 | -36.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G204 L205 L206 R212 | G204-G208 PolarHBondContact O-N 3.27Å; L205-G208 PolarHBondContact O-N 2.69Å; L206-G208 VanDerWaalsContact C-N 3.33Å; L206-G208 PolarHBondContact O-N 3.1Å; G208-R212 PolarHBondContact O-N 2.8Å |
| 209 | L | 90.9 | Very high | 89.8 | Confident | 101 Ų | 101 | 102.1 Ų | 102.1 | 53% | 0.529 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.4 | -45.1 | 172.8 | -82.3 | 167.1 | 0 | 0 | 0 | 111.3 | L205 L206 D207 R211 R212 V213 | L205-L209 WeakPolarHBondContact O-CG 3.02Å; L205-L209 PolarHBondContact O-N 3.03Å; L206-L209 PolarHBondContact O-N 3.01Å; D207-L209 PolarHBondContact O-N 2.99Å; L209-R211 VanDerWaalsContact C-N 3.31Å; L209-R211 PolarHBondContact O-N 2.64Å; L209-R212 PolarHBondContact O-N 2.87Å; L209-R212 VanDerWaalsContact O-N 3.15Å; L209-V213 WeakPolarHBondContact O-CG2 3.13Å; L209-V213 PolarHBondContact O-N 3.39Å |
| 210 | A | 87.4 | Confident | 89.8 | Confident | 59 Ų | 59 | 102.4 Ų | 102.4 | 49% | 0.488 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L206 D207 V213 G214 | L206-A210 WeakPolarHBondContact O-CB 3.45Å; L206-A210 PolarHBondContact O-N 3.3Å; D207-A210 PolarHBondContact O-N 2.94Å; A210-V213 PolarHBondContact O-N 2.86Å; A210-G214 PolarHBondContact O-N 3.02Å |
| 211 | R | 90 | Very high | 89.7 | Confident | 170 Ų | 170 | 96.1 Ų | 96.1 | 64% | 0.642 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.5 | -44.1 | 174.4 | -72.1 | -179.5 | -162.2 | -173.6 | 6.2 | 112.9 | D207 L209 V213 G214 V215 | D207-R211 WeakPolarHBondContact O-CG 3.45Å; D207-R211 PolarHBondContact O-N 3.07Å; D207-R211 IonicContact OD2-CZ 2.75Å; D207-R211 IonicContact OD2-NE 2.8Å; D207-R211 PolarHBondContact OD2-NE 3.42Å; D207-R211 IonicContact OD2-NH2 4Å; D207-R211 PolarHBondContact OD2-NH2 3.39Å; L209-R211 VanDerWaalsContact C-N 3.31Å; L209-R211 PolarHBondContact O-N 2.64Å; R211-V213 VanDerWaalsContact C-N 3.34Å; R211-V213 PolarHBondContact O-N 3.23Å; R211-G214 PolarHBondContact O-N 3.32Å; R211-V215 WeakPolarHBondContact O-CG2 3.47Å; R211-V215 PolarHBondContact O-N 3.19Å |
| 212 | R | 93.5 | Very high | 89.5 | Confident | 176 Ų | 176 | 93.2 Ų | 93.2 | 66% | 0.664 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.3 | -41 | 176.9 | -74.4 | 177.8 | -135.8 | -99.5 | -0.6 | 112.1 | G208 L209 G214 V215 L216 | G208-R212 PolarHBondContact O-N 2.8Å; L209-R212 PolarHBondContact O-N 2.87Å; L209-R212 VanDerWaalsContact O-N 3.15Å; R212-G214 VanDerWaalsContact C-N 3.31Å; R212-V215 PolarHBondContact O-N 2.7Å; R212-L216 WeakPolarHBondContact O-CB 3.46Å; R212-L216 WeakPolarHBondContact O-CG 3.46Å; R212-L216 PolarHBondContact O-N 3.02Å |
| 213 | V | 92.3 | Very high | 89.3 | Confident | 98 Ų | 98 | 92.5 Ų | 92.5 | 59% | 0.594 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.2 | -39.3 | 174.7 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | L209 A210 R211 L216 G217 | L209-V213 WeakPolarHBondContact O-CG2 3.13Å; L209-V213 PolarHBondContact O-N 3.39Å; A210-V213 PolarHBondContact O-N 2.86Å; R211-V213 VanDerWaalsContact C-N 3.34Å; R211-V213 PolarHBondContact O-N 3.23Å; V213-L216 PolarHBondContact O-N 3.34Å; V213-G217 PolarHBondContact O-N 3.33Å |
| 214 | G | 88.8 | Confident | 89.2 | Confident | 40 Ų | 40 | 90.8 Ų | 90.8 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.7 | -50.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A210 R211 R212 L216 G217 E218 | A210-G214 PolarHBondContact O-N 3.02Å; R211-G214 PolarHBondContact O-N 3.32Å; R212-G214 VanDerWaalsContact C-N 3.31Å; G214-L216 PolarHBondContact O-N 3.15Å; G214-G217 WeakPolarHBondContact O-CA 3.45Å; G214-G217 PolarHBondContact O-N 3.41Å; G214-E218 PolarHBondContact O-N 3.18Å |
| 215 | V | 90.3 | Very high | 89.1 | Confident | 80 Ų | 80 | 90 Ų | 90 | 49% | 0.485 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 177.3 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | R211 R212 G217 E218 E219 | R211-V215 WeakPolarHBondContact O-CG2 3.47Å; R211-V215 PolarHBondContact O-N 3.19Å; R212-V215 PolarHBondContact O-N 2.7Å; V215-G217 PolarHBondContact O-N 2.96Å; V215-E218 PolarHBondContact O-N 3.4Å; V215-E219 PolarHBondContact O-N 3.33Å |
| 216 | L | 89 | Confident | 88.9 | Confident | 108 Ų | 108 | 89.7 Ų | 89.7 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.6 | -33.5 | 175 | -75.8 | 168.8 | 0 | 0 | 0 | 112.3 | R212 V213 G214 L220 | R212-L216 WeakPolarHBondContact O-CB 3.46Å; R212-L216 WeakPolarHBondContact O-CG 3.46Å; R212-L216 PolarHBondContact O-N 3.02Å; V213-L216 PolarHBondContact O-N 3.34Å; G214-L216 PolarHBondContact O-N 3.15Å; L216-L220 VanDerWaalsContact O-CB 3.29Å; L216-L220 WeakPolarHBondContact O-CB 3.49Å; L216-L220 PolarHBondContact O-N 3.03Å |
| 217 | G | 88.5 | Confident | 88.6 | Confident | 39 Ų | 39 | 89.3 Ų | 89.3 | 40% | 0.402 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V213 G214 V215 L220 A221 | V213-G217 PolarHBondContact O-N 3.33Å; G214-G217 WeakPolarHBondContact O-CA 3.45Å; G214-G217 PolarHBondContact O-N 3.41Å; V215-G217 PolarHBondContact O-N 2.96Å; G217-L220 PolarHBondContact O-N 2.9Å; G217-A221 WeakPolarHBondContact O-CB 3.31Å; G217-A221 PolarHBondContact O-N 2.91Å |
| 218 | E | 88.2 | Confident | 88.5 | Confident | 142 Ų | 142 | 93.2 Ų | 93.2 | 66% | 0.664 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.7 | -46.2 | 174.6 | -69.5 | -172.6 | 169.2 | 0 | 0 | 111.6 | G214 V215 L220 A221 D222 | G214-E218 PolarHBondContact O-N 3.18Å; V215-E218 PolarHBondContact O-N 3.4Å; E218-L220 VanDerWaalsContact C-N 3.28Å; E218-L220 PolarHBondContact O-N 2.96Å; E218-A221 WeakPolarHBondContact O-CB 3.34Å; E218-A221 PolarHBondContact O-N 3.5Å; E218-A221 VanDerWaalsContact O-N 3.08Å; E218-D222 PolarHBondContact O-N 3.46Å |
| 219 | E | 88 | Confident | 88.2 | Confident | 115 Ų | 115 | 94.1 Ų | 94.1 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.1 | -40.8 | 175.1 | -72.1 | -174 | 167.9 | 0 | 0 | 111.8 | V215 D222 V223 | V215-E219 PolarHBondContact O-N 3.33Å; E219-D222 PolarHBondContact O-N 3.32Å; E219-V223 WeakPolarHBondContact O-CG2 3.42Å; E219-V223 PolarHBondContact O-N 3.03Å |
| 220 | L | 86.9 | Confident | 88 | Confident | 128 Ų | 128 | 94.6 Ų | 94.6 | 67% | 0.67 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.9 | -36.2 | 176.9 | -166.7 | 73.1 | 0 | 0 | 0 | 112 | L216 G217 E218 G224 | L216-L220 VanDerWaalsContact O-CB 3.29Å; L216-L220 WeakPolarHBondContact O-CB 3.49Å; L216-L220 PolarHBondContact O-N 3.03Å; G217-L220 PolarHBondContact O-N 2.9Å; E218-L220 VanDerWaalsContact C-N 3.28Å; E218-L220 PolarHBondContact O-N 2.96Å; L220-G224 PolarHBondContact O-N 3.5Å |
| 221 | A | 84.9 | Confident | 88.1 | Confident | 59 Ų | 59 | 96.8 Ų | 96.8 | 49% | 0.488 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G217 E218 G224 G225 | G217-A221 WeakPolarHBondContact O-CB 3.31Å; G217-A221 PolarHBondContact O-N 2.91Å; E218-A221 WeakPolarHBondContact O-CB 3.34Å; E218-A221 PolarHBondContact O-N 3.5Å; E218-A221 VanDerWaalsContact O-N 3.08Å; A221-G224 PolarHBondContact O-N 3.42Å; A221-G225 PolarHBondContact O-N 3.36Å |
| 222 | D | 87.9 | Confident | 87.8 | Confident | 121 Ų | 121 | 95.7 Ų | 95.7 | 65% | 0.647 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.7 | -48.1 | 174.8 | -84.4 | -3.4 | 0 | 0 | 0 | 111.6 | E218 E219 G224 G225 V226 | E218-D222 PolarHBondContact O-N 3.46Å; E219-D222 PolarHBondContact O-N 3.32Å; D222-G224 VanDerWaalsContact C-N 3.28Å; D222-G224 PolarHBondContact O-N 2.99Å; D222-G225 WeakPolarHBondContact O-CA 3.42Å; D222-G225 PolarHBondContact O-N 2.88Å; D222-V226 WeakPolarHBondContact O-CG2 3.39Å; D222-V226 PolarHBondContact O-N 3.04Å |
| 223 | V | 87.1 | Confident | 87.5 | Confident | 82 Ų | 82 | 90.4 Ų | 90.4 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.7 | -42.6 | 174.7 | 171 | 0 | 0 | 0 | 0 | 110.8 | E219 G225 V226 L227 | E219-V223 WeakPolarHBondContact O-CG2 3.42Å; E219-V223 PolarHBondContact O-N 3.03Å; V223-G225 VanDerWaalsContact C-N 3.31Å; V223-G225 PolarHBondContact O-N 2.69Å; V223-V226 PolarHBondContact O-N 2.82Å; V223-L227 HydrophobicContact CG1-CD1 3.84Å; V223-L227 WeakPolarHBondContact O-CB 3.35Å; V223-L227 PolarHBondContact O-N 3.48Å |
| 224 | G | 86.6 | Confident | 87.3 | Confident | 21 Ų | 21 | 90.9 Ų | 90.9 | 22% | 0.216 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -62 | -36.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L220 A221 D222 R228 | L220-G224 PolarHBondContact O-N 3.5Å; A221-G224 PolarHBondContact O-N 3.42Å; D222-G224 VanDerWaalsContact C-N 3.28Å; D222-G224 PolarHBondContact O-N 2.99Å; G224-R228 WeakPolarHBondContact O-CG 3.47Å; G224-R228 PolarHBondContact O-N 2.92Å |
| 225 | G | 86.9 | Confident | 87.3 | Confident | 32 Ų | 32 | 92.6 Ų | 92.6 | 33% | 0.33 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.3 | -50 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A221 D222 V223 L227 R228 G229 | A221-G225 PolarHBondContact O-N 3.36Å; D222-G225 WeakPolarHBondContact O-CA 3.42Å; D222-G225 PolarHBondContact O-N 2.88Å; V223-G225 VanDerWaalsContact C-N 3.31Å; V223-G225 PolarHBondContact O-N 2.69Å; G225-L227 PolarHBondContact O-N 2.91Å; G225-R228 PolarHBondContact O-N 2.8Å; G225-G229 PolarHBondContact O-N 3.08Å |
| 226 | V | 87.7 | Confident | 87.3 | Confident | 93 Ų | 93 | 96.3 Ų | 96.3 | 56% | 0.564 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.5 | -46.1 | 177.6 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | D222 V223 R228 G229 L230 | D222-V226 WeakPolarHBondContact O-CG2 3.39Å; D222-V226 PolarHBondContact O-N 3.04Å; V223-V226 PolarHBondContact O-N 2.82Å; V226-R228 VanDerWaalsContact C-N 3.35Å; V226-R228 PolarHBondContact O-N 3.08Å; V226-G229 PolarHBondContact O-N 3.11Å; V226-L230 HydrophobicContact CG1-CD1 4.1Å; V226-L230 HydrophobicContact CG1-CG 4.42Å; V226-L230 WeakPolarHBondContact O-CG 3.3Å; V226-L230 PolarHBondContact O-N 3.19Å |
| 227 | L | 84.8 | Confident | 87.3 | Confident | 108 Ų | 108 | 94.6 Ų | 94.6 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.6 | -42.2 | 176.6 | -87.6 | 154.2 | 0 | 0 | 0 | 112.5 | V223 G225 G229 L230 N231 | V223-L227 HydrophobicContact CG1-CD1 3.84Å; V223-L227 WeakPolarHBondContact O-CB 3.35Å; V223-L227 PolarHBondContact O-N 3.48Å; G225-L227 PolarHBondContact O-N 2.91Å; L227-G229 VanDerWaalsContact C-N 3.35Å; L227-L230 PolarHBondContact O-N 3.22Å; L227-N231 WeakPolarHBondContact O-CB 3.44Å; L227-N231 PolarHBondContact O-N 2.97Å |
| 228 | R | 87 | Confident | 87.4 | Confident | 162 Ų | 162 | 96.9 Ų | 96.9 | 61% | 0.611 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64 | -40.3 | 175.2 | -77.9 | -174.3 | -65.8 | -110.2 | -1.2 | 112.1 | G224 G225 V226 N231 H232 | G224-R228 WeakPolarHBondContact O-CG 3.47Å; G224-R228 PolarHBondContact O-N 2.92Å; G225-R228 PolarHBondContact O-N 2.8Å; V226-R228 VanDerWaalsContact C-N 3.35Å; V226-R228 PolarHBondContact O-N 3.08Å; R228-N231 PolarHBondContact O-N 3.43Å; R228-H232 PolarHBondContact O-N 2.76Å; R228-H232 PolarHBondContact O-ND1 3.47Å; R228-H232 VanDerWaalsContact O-ND1 3.14Å |
| 229 | G | 86.6 | Confident | 87.4 | Confident | 43 Ų | 43 | 92.6 Ų | 92.6 | 44% | 0.443 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G225 V226 L227 N231 H232 S233 | G225-G229 PolarHBondContact O-N 3.08Å; V226-G229 PolarHBondContact O-N 3.11Å; L227-G229 VanDerWaalsContact C-N 3.35Å; G229-N231 VanDerWaalsContact C-N 3.34Å; G229-N231 PolarHBondContact O-N 2.97Å; G229-H232 PolarHBondContact O-N 2.92Å; G229-S233 PolarHBondContact O-N 3.2Å |
| 230 | L | 85.7 | Confident | 87.6 | Confident | 110 Ų | 110 | 89.8 Ų | 89.8 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.6 | -42.1 | 175.3 | -71.9 | 173.6 | 0 | 0 | 0 | 112 | V226 L227 H232 S233 L234 | V226-L230 HydrophobicContact CG1-CD1 4.1Å; V226-L230 HydrophobicContact CG1-CG 4.42Å; V226-L230 WeakPolarHBondContact O-CG 3.3Å; V226-L230 PolarHBondContact O-N 3.19Å; L227-L230 PolarHBondContact O-N 3.22Å; L230-H232 VanDerWaalsContact C-N 3.34Å; L230-H232 PolarHBondContact O-N 3.43Å; L230-S233 PolarHBondContact O-N 3.34Å; L230-L234 VanDerWaalsContact O-CB 3.31Å; L230-L234 WeakPolarHBondContact O-CB 3.39Å; L230-L234 PolarHBondContact O-N 3.37Å |
| 231 | N | 88.8 | Confident | 87.7 | Confident | 106 Ų | 106 | 88.7 Ų | 88.7 | 57% | 0.567 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.5 | -39.6 | 177.7 | -168.7 | 34.1 | 0 | 0 | 0 | 112 | L227 R228 G229 S235 | L227-N231 WeakPolarHBondContact O-CB 3.44Å; L227-N231 PolarHBondContact O-N 2.97Å; R228-N231 PolarHBondContact O-N 3.43Å; G229-N231 VanDerWaalsContact C-N 3.34Å; G229-N231 PolarHBondContact O-N 2.97Å; N231-S235 WeakPolarHBondContact O-CB 3.49Å; N231-S235 PolarHBondContact O-N 3.03Å |
| 232 | H | 85.4 | Confident | 88 | Confident | 146 Ų | 146 | 94.1 Ų | 94.1 | 68% | 0.676 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.5 | -45 | 174.7 | -86.1 | 64.9 | 0 | 0 | 0 | 112.2 | R228 G229 L230 S235 Y236 | R228-H232 PolarHBondContact O-N 2.76Å; R228-H232 PolarHBondContact O-ND1 3.47Å; R228-H232 VanDerWaalsContact O-ND1 3.14Å; G229-H232 PolarHBondContact O-N 2.92Å; L230-H232 VanDerWaalsContact C-N 3.34Å; L230-H232 PolarHBondContact O-N 3.43Å; H232-S235 PolarHBondContact O-N 3.31Å; H232-Y236 WeakPolarHBondContact O-CB 3.34Å; H232-Y236 PolarHBondContact O-N 3.28Å |
| 233 | S | 87.1 | Confident | 88.1 | Confident | 65 Ų | 65 | 91.4 Ų | 91.4 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60 | -48.2 | 177.1 | -171.2 | 0 | 0 | 0 | 0 | 111.2 | G229 L230 S235 Y236 D237 | G229-S233 PolarHBondContact O-N 3.2Å; L230-S233 PolarHBondContact O-N 3.34Å; S233-S235 VanDerWaalsContact C-N 3.34Å; S233-S235 PolarHBondContact O-N 2.88Å; S233-Y236 PolarHBondContact O-N 3.09Å; S233-D237 PolarHBondContact O-N 3.2Å |
| 234 | L | 87.9 | Confident | 88.3 | Confident | 109 Ų | 109 | 94.1 Ų | 94.1 | 57% | 0.571 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.8 | -42 | 178.3 | -175.6 | 68.7 | 0 | 0 | 0 | 111.3 | L230 Y236 D237 V238 | L230-L234 VanDerWaalsContact O-CB 3.31Å; L230-L234 WeakPolarHBondContact O-CB 3.39Å; L230-L234 PolarHBondContact O-N 3.37Å; L234-Y236 VanDerWaalsContact C-N 3.34Å; L234-Y236 PolarHBondContact O-N 3.32Å; L234-D237 PolarHBondContact O-N 2.87Å; L234-V238 HydrophobicContact CD1-CG2 4.41Å; L234-V238 HydrophobicContact CG-CG2 4.4Å; L234-V238 WeakPolarHBondContact O-CB 3.44Å; L234-V238 WeakPolarHBondContact O-CG2 3.31Å; L234-V238 PolarHBondContact O-N 3.07Å |
| 235 | S | 89.3 | Confident | 88.5 | Confident | 76 Ų | 76 | 98.7 Ų | 98.7 | 53% | 0.531 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 176.7 | -179.9 | 0 | 0 | 0 | 0 | 112 | N231 H232 S233 A239 | N231-S235 WeakPolarHBondContact O-CB 3.49Å; N231-S235 PolarHBondContact O-N 3.03Å; H232-S235 PolarHBondContact O-N 3.31Å; S233-S235 VanDerWaalsContact C-N 3.34Å; S233-S235 PolarHBondContact O-N 2.88Å; S235-A239 WeakPolarHBondContact O-CB 3.49Å; S235-A239 PolarHBondContact O-N 3.01Å |
| 236 | Y | 89.6 | Confident | 88.7 | Confident | 157 Ų | 157 | 101.9 Ų | 101.9 | 62% | 0.616 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.9 | -48.2 | 176.1 | -178.6 | -94.7 | 0 | 0 | 0 | 111.7 | H232 S233 L234 V238 A239 L240 | H232-Y236 WeakPolarHBondContact O-CB 3.34Å; H232-Y236 PolarHBondContact O-N 3.28Å; S233-Y236 PolarHBondContact O-N 3.09Å; L234-Y236 VanDerWaalsContact C-N 3.34Å; L234-Y236 PolarHBondContact O-N 3.32Å; Y236-V238 VanDerWaalsContact C-N 3.34Å; Y236-V238 PolarHBondContact O-N 2.86Å; Y236-A239 WeakPolarHBondContact O-CB 3.44Å; Y236-A239 PolarHBondContact O-N 3.37Å; Y236-A239 VanDerWaalsContact O-N 3.16Å; Y236-L240 PolarHBondContact O-N 3.4Å |
| 237 | D | 89.1 | Confident | 89 | Confident | 72 Ų | 72 | 102.4 Ų | 102.4 | 39% | 0.385 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 179 | -72.8 | -23.6 | 0 | 0 | 0 | 111.6 | S233 L234 A239 L240 H241 | S233-D237 PolarHBondContact O-N 3.2Å; L234-D237 PolarHBondContact O-N 2.87Å; D237-A239 VanDerWaalsContact C-N 3.33Å; D237-A239 PolarHBondContact O-N 2.69Å; D237-L240 PolarHBondContact O-N 3.36Å; D237-H241 WeakPolarHBondContact O-CB 3.3Å; D237-H241 PolarHBondContact O-CD2 3.07Å; D237-H241 PolarHBondContact O-N 3.45Å |
| 238 | V | 90.1 | Very high | 89.3 | Confident | 88 Ų | 88 | 101.9 Ų | 101.9 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 175.2 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | L234 Y236 H241 R242 | L234-V238 HydrophobicContact CD1-CG2 4.41Å; L234-V238 HydrophobicContact CG-CG2 4.4Å; L234-V238 WeakPolarHBondContact O-CB 3.44Å; L234-V238 WeakPolarHBondContact O-CG2 3.31Å; L234-V238 PolarHBondContact O-N 3.07Å; Y236-V238 VanDerWaalsContact C-N 3.34Å; Y236-V238 PolarHBondContact O-N 2.86Å; V238-H241 PolarHBondContact O-N 3.13Å; V238-R242 WeakPolarHBondContact O-CB 3.42Å; V238-R242 PolarHBondContact O-N 3.48Å |
| 239 | A | 88.7 | Confident | 89.6 | Confident | 51 Ų | 51 | 103.6 Ų | 103.6 | 42% | 0.421 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S235 Y236 D237 R242 T243 | S235-A239 WeakPolarHBondContact O-CB 3.49Å; S235-A239 PolarHBondContact O-N 3.01Å; Y236-A239 WeakPolarHBondContact O-CB 3.44Å; Y236-A239 PolarHBondContact O-N 3.37Å; Y236-A239 VanDerWaalsContact O-N 3.16Å; D237-A239 VanDerWaalsContact C-N 3.33Å; D237-A239 PolarHBondContact O-N 2.69Å; A239-R242 WeakPolarHBondContact O-CB 3.42Å; A239-R242 PolarHBondContact O-N 3.09Å; A239-T243 PolarHBondContact O-N 2.93Å; A239-T243 PolarHBondContact O-OG1 3.24Å |
| 240 | L | 90.7 | Very high | 90 | Very high | 57 Ų | 57 | 105.4 Ų | 105.4 | 30% | 0.298 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 176.2 | -175.4 | 64.2 | 0 | 0 | 0 | 111.9 | Y236 D237 R242 T243 R244 | Y236-L240 PolarHBondContact O-N 3.4Å; D237-L240 PolarHBondContact O-N 3.36Å; L240-R242 VanDerWaalsContact C-N 3.31Å; L240-R242 PolarHBondContact O-N 2.9Å; L240-T243 PolarHBondContact O-N 2.85Å; L240-T243 PolarHBondContact O-OG1 2.98Å; L240-R244 WeakPolarHBondContact O-CG 3.3Å; L240-R244 PolarHBondContact O-N 3.47Å |
| 241 | H | 90.1 | Very high | 90.4 | Very high | 105 Ų | 105 | 105.4 Ų | 105.4 | 49% | 0.486 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.4 | -37 | 174.1 | -79.5 | -63.5 | 0 | 0 | 0 | 111.9 | D237 V238 R244 L245 | D237-H241 WeakPolarHBondContact O-CB 3.3Å; D237-H241 PolarHBondContact O-CD2 3.07Å; D237-H241 PolarHBondContact O-N 3.45Å; V238-H241 PolarHBondContact O-N 3.13Å; H241-R244 PolarHBondContact O-N 3.05Å; H241-L245 WeakPolarHBondContact O-CB 3.45Å; H241-L245 VanDerWaalsContact O-CG 3.25Å; H241-L245 WeakPolarHBondContact O-CG 3.44Å; H241-L245 PolarHBondContact O-N 3.2Å |
| 242 | R | 90.8 | Very high | 90.5 | Very high | 172 Ų | 172 | 105 Ų | 105 | 65% | 0.649 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.3 | -44.2 | 175.8 | -173.7 | -178.3 | -177.1 | 118.4 | -1.8 | 112 | V238 A239 L240 L245 Q246 | V238-R242 WeakPolarHBondContact O-CB 3.42Å; V238-R242 PolarHBondContact O-N 3.48Å; A239-R242 WeakPolarHBondContact O-CB 3.42Å; A239-R242 PolarHBondContact O-N 3.09Å; L240-R242 VanDerWaalsContact C-N 3.31Å; L240-R242 PolarHBondContact O-N 2.9Å; R242-L245 PolarHBondContact O-N 3.25Å; R242-Q246 VanDerWaalsContact O-CG 3.32Å; R242-Q246 WeakPolarHBondContact O-CG 3.06Å; R242-Q246 PolarHBondContact O-N 3.41Å |
| 243 | T | 90.4 | Very high | 90.8 | Very high | 65 Ų | 65 | 100.7 Ų | 100.7 | 40% | 0.399 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -46.4 | 177.6 | 50.6 | 0 | 0 | 0 | 0 | 111.4 | A239 L240 L245 Q246 D247 | A239-T243 PolarHBondContact O-N 2.93Å; A239-T243 PolarHBondContact O-OG1 3.24Å; L240-T243 PolarHBondContact O-N 2.85Å; L240-T243 PolarHBondContact O-OG1 2.98Å; T243-L245 VanDerWaalsContact C-N 3.29Å; T243-L245 PolarHBondContact O-N 3.5Å; T243-Q246 WeakPolarHBondContact O-CB 3.29Å; T243-Q246 PolarHBondContact O-N 3.42Å; T243-D247 PolarHBondContact O-N 2.99Å |
| 244 | R | 91.5 | Very high | 91.2 | Very high | 139 Ų | 139 | 101.4 Ų | 101.4 | 53% | 0.525 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.4 | -40.2 | 174.4 | -72.6 | 178.2 | 178 | 175.9 | 0.6 | 113.1 | L240 H241 D247 L248 | L240-R244 WeakPolarHBondContact O-CG 3.3Å; L240-R244 PolarHBondContact O-N 3.47Å; H241-R244 PolarHBondContact O-N 3.05Å; R244-D247 PolarHBondContact O-N 2.93Å; R244-L248 WeakPolarHBondContact O-CB 3.35Å; R244-L248 WeakPolarHBondContact O-CG 3.39Å; R244-L248 PolarHBondContact O-N 3Å |
| 245 | L | 90.6 | Very high | 91.3 | Very high | 116 Ų | 116 | 98.8 Ų | 98.8 | 61% | 0.607 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68 | -34.8 | 176.3 | -75.3 | 171 | 0 | 0 | 0 | 112.4 | H241 R242 T243 R249 | H241-L245 WeakPolarHBondContact O-CB 3.45Å; H241-L245 VanDerWaalsContact O-CG 3.25Å; H241-L245 WeakPolarHBondContact O-CG 3.44Å; H241-L245 PolarHBondContact O-N 3.2Å; R242-L245 PolarHBondContact O-N 3.25Å; T243-L245 VanDerWaalsContact C-N 3.29Å; T243-L245 PolarHBondContact O-N 3.5Å; L245-R249 WeakPolarHBondContact O-CB 3.36Å; L245-R249 PolarHBondContact O-N 2.87Å |
| 246 | Q | 91.3 | Very high | 91.4 | Very high | 100 Ų | 100 | 97.8 Ų | 97.8 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.3 | -45.2 | 173.8 | -74.3 | 172.2 | -16.1 | 0 | 0 | 111.2 | R242 T243 R249 V250 | R242-Q246 VanDerWaalsContact O-CG 3.32Å; R242-Q246 WeakPolarHBondContact O-CG 3.06Å; R242-Q246 PolarHBondContact O-N 3.41Å; T243-Q246 WeakPolarHBondContact O-CB 3.29Å; T243-Q246 PolarHBondContact O-N 3.42Å; Q246-R249 WeakPolarHBondContact O-CB 3.46Å; Q246-R249 PolarHBondContact O-N 3.36Å; Q246-V250 PolarHBondContact O-N 3.4Å; Q246-V250 VanDerWaalsContact O-N 3.09Å |
| 247 | D | 92.9 | Very high | 91.6 | Very high | 103 Ų | 103 | 94.6 Ų | 94.6 | 55% | 0.551 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63 | -44.9 | 177.4 | -66.1 | -19.7 | 0 | 0 | 0 | 111.4 | T243 R244 R249 V250 L251 | T243-D247 PolarHBondContact O-N 2.99Å; R244-D247 PolarHBondContact O-N 2.93Å; D247-R249 VanDerWaalsContact C-N 3.29Å; D247-R249 PolarHBondContact O-N 3.33Å; D247-V250 PolarHBondContact O-N 3.35Å; D247-V250 VanDerWaalsContact O-N 3.16Å; D247-L251 WeakPolarHBondContact O-CG 3.25Å; D247-L251 PolarHBondContact O-N 3.31Å |
| 248 | L | 92.3 | Very high | 91.8 | Very high | 98 Ų | 98 | 95.2 Ų | 95.2 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -40.1 | 174.4 | -80.3 | 170.3 | 0 | 0 | 0 | 112 | R244 V250 L251 V252 | R244-L248 WeakPolarHBondContact O-CB 3.35Å; R244-L248 WeakPolarHBondContact O-CG 3.39Å; R244-L248 PolarHBondContact O-N 3Å; L248-V250 VanDerWaalsContact C-N 3.33Å; L248-V250 PolarHBondContact O-N 2.93Å; L248-L251 PolarHBondContact O-N 3.48Å; L248-V252 WeakPolarHBondContact O-CB 3.37Å; L248-V252 VanDerWaalsContact O-CG2 3.25Å; L248-V252 WeakPolarHBondContact O-CG2 3.38Å; L248-V252 PolarHBondContact O-N 3.45Å |
| 249 | R | 93.9 | Very high | 91.9 | Very high | 198 Ų | 198 | 94.1 Ų | 94.1 | 75% | 0.747 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.1 | -42.6 | 176.2 | 173.5 | -179.2 | -96.5 | 179.2 | -7 | 111.4 | L245 Q246 D247 V252 S253 | L245-R249 WeakPolarHBondContact O-CB 3.36Å; L245-R249 PolarHBondContact O-N 2.87Å; Q246-R249 WeakPolarHBondContact O-CB 3.46Å; Q246-R249 PolarHBondContact O-N 3.36Å; D247-R249 VanDerWaalsContact C-N 3.29Å; D247-R249 PolarHBondContact O-N 3.33Å; R249-V252 PolarHBondContact O-N 2.88Å; R249-S253 PolarHBondContact O-N 3.12Å; R249-S253 PolarHBondContact O-OG 2.98Å |
| 250 | V | 93.8 | Very high | 92.1 | Very high | 80 Ų | 80 | 99.9 Ų | 99.9 | 49% | 0.485 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.8 | -42.4 | 178 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | Q246 D247 L248 V252 S253 N254 | Q246-V250 PolarHBondContact O-N 3.4Å; Q246-V250 VanDerWaalsContact O-N 3.09Å; D247-V250 PolarHBondContact O-N 3.35Å; D247-V250 VanDerWaalsContact O-N 3.16Å; L248-V250 VanDerWaalsContact C-N 3.33Å; L248-V250 PolarHBondContact O-N 2.93Å; V250-V252 PolarHBondContact O-N 3.47Å; V250-S253 WeakPolarHBondContact CA-OG 3.45Å; V250-S253 PolarHBondContact O-N 3.22Å; V250-S253 PolarHBondContact O-OG 3Å; V250-N254 WeakPolarHBondContact O-CB 2.98Å; V250-N254 VanDerWaalsContact O-CG 3.29Å; V250-N254 PolarHBondContact O-N 3.28Å; V250-N254 PolarHBondContact O-OD1 3.28Å |
| 251 | L | 93.4 | Very high | 92.2 | Very high | 111 Ų | 111 | 104.3 Ų | 104.3 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.2 | -45 | 175.8 | -73.7 | 170.6 | 0 | 0 | 0 | 111.7 | D247 L248 N254 A255 | D247-L251 WeakPolarHBondContact O-CG 3.25Å; D247-L251 PolarHBondContact O-N 3.31Å; L248-L251 PolarHBondContact O-N 3.48Å; L251-N254 PolarHBondContact O-N 2.91Å; L251-A255 WeakPolarHBondContact O-CB 3.39Å; L251-A255 PolarHBondContact O-N 3.43Å |
| 252 | V | 92.6 | Very high | 92.3 | Very high | 98 Ų | 98 | 105.1 Ų | 105.1 | 59% | 0.594 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.2 | -40.2 | 177.6 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | L248 R249 V250 S256 | L248-V252 WeakPolarHBondContact O-CB 3.37Å; L248-V252 VanDerWaalsContact O-CG2 3.25Å; L248-V252 WeakPolarHBondContact O-CG2 3.38Å; L248-V252 PolarHBondContact O-N 3.45Å; R249-V252 PolarHBondContact O-N 2.88Å; V250-V252 PolarHBondContact O-N 3.47Å; V252-S256 VanDerWaalsContact O-CB 3.29Å; V252-S256 WeakPolarHBondContact O-CB 3.13Å; V252-S256 PolarHBondContact O-N 2.93Å; V252-S256 PolarHBondContact O-OG 2.93Å |
| 253 | S | 91.5 | Very high | 92.4 | Very high | 54 Ų | 54 | 105.1 Ų | 105.1 | 38% | 0.378 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 176.6 | 60.4 | 0 | 0 | 0 | 0 | 111.6 | R249 V250 S256 E257 | R249-S253 PolarHBondContact O-N 3.12Å; R249-S253 PolarHBondContact O-OG 2.98Å; V250-S253 WeakPolarHBondContact CA-OG 3.45Å; V250-S253 PolarHBondContact O-N 3.22Å; V250-S253 PolarHBondContact O-OG 3Å; S253-S256 PolarHBondContact O-N 3.05Å; S253-S256 PolarHBondContact O-OG 2.95Å; S253-E257 PolarHBondContact O-N 2.91Å |
| 254 | N | 93.9 | Very high | 92.6 | Very high | 81 Ų | 81 | 108.2 Ų | 108.2 | 43% | 0.433 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.8 | -47.4 | 178.3 | -71 | -1.1 | 0 | 0 | 0 | 111.3 | V250 L251 S256 E257 D258 | V250-N254 WeakPolarHBondContact O-CB 2.98Å; V250-N254 VanDerWaalsContact O-CG 3.29Å; V250-N254 PolarHBondContact O-N 3.28Å; V250-N254 PolarHBondContact O-OD1 3.28Å; L251-N254 PolarHBondContact O-N 2.91Å; N254-S256 PolarHBondContact O-N 3.34Å; N254-E257 PolarHBondContact O-N 2.95Å; N254-D258 PolarHBondContact O-N 3.41Å |
| 255 | A | 90.6 | Very high | 92.6 | Very high | 53 Ų | 53 | 104.1 Ų | 104.1 | 44% | 0.438 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.1 | -36.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L251 T259 | L251-A255 WeakPolarHBondContact O-CB 3.39Å; L251-A255 PolarHBondContact O-N 3.43Å; A255-T259 WeakPolarHBondContact O-CB 3.3Å; A255-T259 PolarHBondContact O-N 3.35Å; A255-T259 PolarHBondContact O-OG1 2.86Å |
| 256 | S | 92.1 | Very high | 92.7 | Very high | 55 Ų | 55 | 103.5 Ų | 103.5 | 39% | 0.385 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.2 | -37.2 | 175.3 | 79.8 | 0 | 0 | 0 | 0 | 112.4 | V252 S253 N254 R260 | V252-S256 VanDerWaalsContact O-CB 3.29Å; V252-S256 WeakPolarHBondContact O-CB 3.13Å; V252-S256 PolarHBondContact O-N 2.93Å; V252-S256 PolarHBondContact O-OG 2.93Å; S253-S256 PolarHBondContact O-N 3.05Å; S253-S256 PolarHBondContact O-OG 2.95Å; N254-S256 PolarHBondContact O-N 3.34Å; S256-R260 WeakPolarHBondContact O-CG 3.43Å; S256-R260 PolarHBondContact O-N 3.34Å; S256-R260 VanDerWaalsContact O-N 3.09Å |
| 257 | E | 92.8 | Very high | 92.9 | Very high | 90 Ų | 90 | 102.9 Ų | 102.9 | 42% | 0.421 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.6 | -43.6 | 176.5 | -166.3 | 178.3 | 157.1 | 0 | 0 | 111.4 | S253 N254 T259 R260 R261 | S253-E257 PolarHBondContact O-N 2.91Å; N254-E257 PolarHBondContact O-N 2.95Å; E257-T259 VanDerWaalsContact C-N 3.29Å; E257-T259 PolarHBondContact O-N 2.93Å; E257-R260 WeakPolarHBondContact O-CA 3.46Å; E257-R260 WeakPolarHBondContact O-CB 3.38Å; E257-R260 PolarHBondContact O-N 3.45Å; E257-R261 WeakPolarHBondContact O-CG 3.42Å; E257-R261 PolarHBondContact O-N 3.33Å; E257-R261 IonicContact OE1-CZ 3.85Å; E257-R261 IonicContact OE1-NE 3.96Å; E257-R261 PolarHBondContact OE1-NE 2.92Å; E257-R261 IonicContact OE1-NH2 2.88Å; E257-R261 PolarHBondContact OE1-NH2 2.8Å |
| 258 | D | 93.8 | Very high | 92.9 | Very high | 85 Ų | 85 | 99.8 Ų | 99.8 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 174.2 | -73.6 | -19.7 | 0 | 0 | 0 | 111.2 | N254 R260 R261 L262 | N254-D258 PolarHBondContact O-N 3.41Å; D258-R260 VanDerWaalsContact C-N 3.29Å; D258-R260 PolarHBondContact O-N 3.5Å; D258-R261 PolarHBondContact O-N 2.7Å; D258-L262 WeakPolarHBondContact O-CB 3.28Å; D258-L262 WeakPolarHBondContact O-CG 3.45Å; D258-L262 PolarHBondContact O-N 3.27Å |
| 259 | T | 92.3 | Very high | 92.9 | Very high | 65 Ų | 65 | 100.6 Ų | 100.6 | 40% | 0.399 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 174.4 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | A255 E257 R263 | A255-T259 WeakPolarHBondContact O-CB 3.3Å; A255-T259 PolarHBondContact O-N 3.35Å; A255-T259 PolarHBondContact O-OG1 2.86Å; E257-T259 VanDerWaalsContact C-N 3.29Å; E257-T259 PolarHBondContact O-N 2.93Å; T259-R263 WeakPolarHBondContact O-CG 3.42Å; T259-R263 PolarHBondContact O-N 2.99Å; T259-R263 VanDerWaalsContact O-N 3.08Å |
| 260 | R | 92.6 | Very high | 92.9 | Very high | 173 Ų | 173 | 95.3 Ų | 95.3 | 65% | 0.653 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.2 | -43.6 | 174.6 | -71.8 | 173.7 | -175.4 | -177.7 | 2.1 | 111.5 | S256 E257 D258 R263 L264 | S256-R260 WeakPolarHBondContact O-CG 3.43Å; S256-R260 PolarHBondContact O-N 3.34Å; S256-R260 VanDerWaalsContact O-N 3.09Å; E257-R260 WeakPolarHBondContact O-CA 3.46Å; E257-R260 WeakPolarHBondContact O-CB 3.38Å; E257-R260 PolarHBondContact O-N 3.45Å; D258-R260 VanDerWaalsContact C-N 3.29Å; D258-R260 PolarHBondContact O-N 3.5Å; R260-R263 PolarHBondContact O-N 3.32Å; R260-L264 WeakPolarHBondContact O-CG 3.44Å; R260-L264 PolarHBondContact O-N 3.29Å |
| 261 | R | 93.3 | Very high | 92.9 | Very high | 149 Ų | 149 | 96.9 Ų | 96.9 | 56% | 0.562 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.3 | -44.8 | 177.2 | -69.3 | 177 | -176.6 | -168.7 | 2.9 | 111.6 | E257 D258 R263 L264 A265 | E257-R261 WeakPolarHBondContact O-CG 3.42Å; E257-R261 PolarHBondContact O-N 3.33Å; E257-R261 IonicContact OE1-CZ 3.85Å; E257-R261 IonicContact OE1-NE 3.96Å; E257-R261 PolarHBondContact OE1-NE 2.92Å; E257-R261 IonicContact OE1-NH2 2.88Å; E257-R261 PolarHBondContact OE1-NH2 2.8Å; D258-R261 PolarHBondContact O-N 2.7Å; R261-R263 VanDerWaalsContact C-N 3.34Å; R261-R263 PolarHBondContact O-N 2.99Å; R261-L264 PolarHBondContact O-N 2.96Å; R261-A265 PolarHBondContact O-N 3.37Å |
| 262 | L | 92.9 | Very high | 93 | Very high | 122 Ų | 122 | 97.3 Ų | 97.3 | 64% | 0.639 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60 | -42 | 175.1 | -80.7 | 163 | 0 | 0 | 0 | 112.1 | D258 A265 H266 | D258-L262 WeakPolarHBondContact O-CB 3.28Å; D258-L262 WeakPolarHBondContact O-CG 3.45Å; D258-L262 PolarHBondContact O-N 3.27Å; L262-A265 PolarHBondContact O-N 3.32Å; L262-H266 WeakPolarHBondContact O-CB 3.42Å; L262-H266 PolarHBondContact O-N 3.49Å |
| 263 | R | 92.3 | Very high | 93 | Very high | 173 Ų | 173 | 98.4 Ų | 98.4 | 65% | 0.653 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62 | -43.9 | 174.9 | -74.6 | 179.7 | -166.7 | 177.1 | 3.9 | 112.2 | T259 R260 R261 H266 V267 | T259-R263 WeakPolarHBondContact O-CG 3.42Å; T259-R263 PolarHBondContact O-N 2.99Å; T259-R263 VanDerWaalsContact O-N 3.08Å; R260-R263 PolarHBondContact O-N 3.32Å; R261-R263 VanDerWaalsContact C-N 3.34Å; R261-R263 PolarHBondContact O-N 2.99Å; R263-H266 PolarHBondContact O-N 3.41Å; R263-V267 WeakPolarHBondContact O-CG2 3.4Å; R263-V267 PolarHBondContact O-N 3.43Å |
| 264 | L | 93.9 | Very high | 93.1 | Very high | 130 Ų | 130 | 102.5 Ų | 102.5 | 68% | 0.681 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.5 | -42.8 | 177.4 | -69.2 | 173.1 | 0 | 0 | 0 | 111.7 | R260 R261 H266 V267 G268 | R260-L264 WeakPolarHBondContact O-CG 3.44Å; R260-L264 PolarHBondContact O-N 3.29Å; R261-L264 PolarHBondContact O-N 2.96Å; L264-H266 VanDerWaalsContact C-N 3.34Å; L264-H266 PolarHBondContact O-N 3.22Å; L264-V267 PolarHBondContact O-N 3.38Å; L264-G268 PolarHBondContact O-N 2.86Å |
| 265 | A | 92.6 | Very high | 93.1 | Very high | 52 Ų | 52 | 105 Ų | 105 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R261 L262 G268 M269 | R261-A265 PolarHBondContact O-N 3.37Å; L262-A265 PolarHBondContact O-N 3.32Å; A265-G268 PolarHBondContact O-N 2.82Å; A265-M269 WeakPolarHBondContact O-CG 3.37Å; A265-M269 PolarHBondContact O-N 3.26Å |
| 266 | H | 93.1 | Very high | 93.2 | Very high | 103 Ų | 103 | 107 Ų | 107 | 48% | 0.477 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 176 | -173.9 | 66 | 0 | 0 | 0 | 111.9 | L262 R263 L264 G268 M269 E270 | L262-H266 WeakPolarHBondContact O-CB 3.42Å; L262-H266 PolarHBondContact O-N 3.49Å; R263-H266 PolarHBondContact O-N 3.41Å; L264-H266 VanDerWaalsContact C-N 3.34Å; L264-H266 PolarHBondContact O-N 3.22Å; H266-G268 VanDerWaalsContact C-N 3.29Å; H266-G268 PolarHBondContact O-N 2.93Å; H266-M269 PolarHBondContact O-N 3.3Å; H266-E270 IonicContact NE2-OE1 3.8Å; H266-E270 PolarHBondContact NE2-OE1 3.2Å; H266-E270 WeakPolarHBondContact O-CG 3.48Å; H266-E270 PolarHBondContact O-N 2.96Å |
| 267 | V | 93.9 | Very high | 93.3 | Very high | 88 Ų | 88 | 109.2 Ų | 109.2 | 53% | 0.533 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60 | -40 | 175.4 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | R263 L264 E270 L271 | R263-V267 WeakPolarHBondContact O-CG2 3.4Å; R263-V267 PolarHBondContact O-N 3.43Å; L264-V267 PolarHBondContact O-N 3.38Å; V267-E270 PolarHBondContact O-N 3.37Å; V267-L271 PolarHBondContact O-N 2.87Å |
| 268 | G | 93.8 | Very high | 93.2 | Very high | 37 Ų | 37 | 107.6 Ų | 107.6 | 38% | 0.381 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L264 A265 H266 L271 Q272 | L264-G268 PolarHBondContact O-N 2.86Å; A265-G268 PolarHBondContact O-N 2.82Å; H266-G268 VanDerWaalsContact C-N 3.29Å; H266-G268 PolarHBondContact O-N 2.93Å; G268-L271 PolarHBondContact O-N 3.49Å; G268-Q272 PolarHBondContact O-N 3.46Å |
| 269 | M | 92.1 | Very high | 93.1 | Very high | 115 Ų | 115 | 108.9 Ų | 108.9 | 57% | 0.567 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.4 | -39.8 | 175.4 | -72.4 | -174.8 | -68 | 0 | 0 | 112.1 | A265 H266 L271 Q272 L273 | A265-M269 WeakPolarHBondContact O-CG 3.37Å; A265-M269 PolarHBondContact O-N 3.26Å; H266-M269 PolarHBondContact O-N 3.3Å; M269-L271 VanDerWaalsContact C-N 3.33Å; M269-L271 PolarHBondContact O-N 3.15Å; M269-Q272 PolarHBondContact O-N 2.91Å; M269-L273 WeakPolarHBondContact O-CB 3.34Å; M269-L273 PolarHBondContact O-N 3Å |
| 270 | E | 94.3 | Very high | 93 | Very high | 88 Ų | 88 | 111.2 Ų | 111.2 | 41% | 0.411 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.5 | -41 | 174.3 | -76.7 | -166.8 | 153.1 | 0 | 0 | 112 | H266 V267 L273 K274 | H266-E270 IonicContact NE2-OE1 3.8Å; H266-E270 PolarHBondContact NE2-OE1 3.2Å; H266-E270 WeakPolarHBondContact O-CG 3.48Å; H266-E270 PolarHBondContact O-N 2.96Å; V267-E270 PolarHBondContact O-N 3.37Å; E270-L273 PolarHBondContact O-N 2.88Å; E270-K274 WeakPolarHBondContact O-CG 3.46Å; E270-K274 PolarHBondContact O-N 3.38Å |
| 271 | L | 94.2 | Very high | 92.8 | Very high | 112 Ų | 112 | 107.5 Ų | 107.5 | 59% | 0.586 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.1 | -44 | 176.7 | -174.6 | 67.6 | 0 | 0 | 0 | 111.1 | V267 G268 M269 K274 Q275 | V267-L271 PolarHBondContact O-N 2.87Å; G268-L271 PolarHBondContact O-N 3.49Å; M269-L271 VanDerWaalsContact C-N 3.33Å; M269-L271 PolarHBondContact O-N 3.15Å; L271-K274 PolarHBondContact O-N 2.94Å; L271-Q275 PolarHBondContact O-N 3.39Å |
| 272 | Q | 94 | Very high | 92.6 | Very high | 121 Ų | 121 | 103.4 Ų | 103.4 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.9 | -46.2 | 175.8 | -173.6 | 173.7 | -13.7 | 0 | 0 | 111 | G268 M269 K274 Q275 E276 | G268-Q272 PolarHBondContact O-N 3.46Å; M269-Q272 PolarHBondContact O-N 2.91Å; Q272-K274 VanDerWaalsContact C-N 3.31Å; Q272-K274 PolarHBondContact O-N 3.4Å; Q272-Q275 PolarHBondContact O-N 2.99Å; Q272-E276 HydrophobicContact CG-CG 4.49Å; Q272-E276 WeakPolarHBondContact O-CG 3.4Å; Q272-E276 PolarHBondContact O-N 3Å |
| 273 | L | 93.8 | Very high | 92.5 | Very high | 121 Ų | 121 | 101.3 Ų | 101.3 | 63% | 0.634 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58.5 | -42.7 | 176.3 | -176.1 | 66.8 | 0 | 0 | 0 | 111.7 | M269 E270 Q275 E276 L277 | M269-L273 WeakPolarHBondContact O-CB 3.34Å; M269-L273 PolarHBondContact O-N 3Å; E270-L273 PolarHBondContact O-N 2.88Å; L273-Q275 VanDerWaalsContact C-N 3.31Å; L273-Q275 PolarHBondContact O-N 2.97Å; L273-E276 PolarHBondContact O-N 3.19Å; L273-L277 VanDerWaalsContact O-CB 3.31Å; L273-L277 WeakPolarHBondContact O-CB 3.4Å; L273-L277 PolarHBondContact O-N 3.33Å |
| 274 | K | 93.1 | Very high | 92.2 | Very high | 140 Ų | 140 | 96.5 Ų | 96.5 | 61% | 0.609 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.9 | -38.2 | 175.2 | -75.8 | 172.8 | -178.3 | 170.8 | 0 | 112.2 | E270 L271 Q272 A278 | E270-K274 WeakPolarHBondContact O-CG 3.46Å; E270-K274 PolarHBondContact O-N 3.38Å; L271-K274 PolarHBondContact O-N 2.94Å; Q272-K274 VanDerWaalsContact C-N 3.31Å; Q272-K274 PolarHBondContact O-N 3.4Å; K274-A278 WeakPolarHBondContact O-CB 3.33Å; K274-A278 PolarHBondContact O-N 2.88Å |
| 275 | Q | 93.9 | Very high | 91.9 | Very high | 134 Ų | 134 | 95.4 Ų | 95.4 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -72.1 | -42.2 | 179.4 | -170.1 | 151.2 | 4.7 | 0 | 0 | 112.4 | L271 Q272 L273 L277 A278 M279 | L271-Q275 PolarHBondContact O-N 3.39Å; Q272-Q275 PolarHBondContact O-N 2.99Å; L273-Q275 VanDerWaalsContact C-N 3.31Å; L273-Q275 PolarHBondContact O-N 2.97Å; Q275-L277 VanDerWaalsContact C-N 3.34Å; Q275-A278 WeakPolarHBondContact O-CB 3.2Å; Q275-A278 PolarHBondContact O-N 3.08Å; Q275-M279 PolarHBondContact O-N 3.32Å |
| 276 | E | 93.3 | Very high | 91.4 | Very high | 95 Ų | 95 | 96.7 Ų | 96.7 | 44% | 0.444 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 172.2 | -66.4 | -60.7 | 158.1 | 0 | 0 | 111 | Q272 L273 A278 M279 L280 | Q272-E276 HydrophobicContact CG-CG 4.49Å; Q272-E276 WeakPolarHBondContact O-CG 3.4Å; Q272-E276 PolarHBondContact O-N 3Å; L273-E276 PolarHBondContact O-N 3.19Å; E276-A278 VanDerWaalsContact C-N 3.31Å; E276-A278 PolarHBondContact O-N 3.48Å; E276-M279 PolarHBondContact O-N 2.98Å; E276-L280 WeakPolarHBondContact O-CB 3.34Å; E276-L280 PolarHBondContact O-N 3.06Å |
| 277 | L | 93.1 | Very high | 90.9 | Very high | 100 Ų | 100 | 96.8 Ų | 96.8 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 175.7 | -158.6 | 91.2 | 0 | 0 | 0 | 111.7 | L273 Q275 L280 N281 | L273-L277 VanDerWaalsContact O-CB 3.31Å; L273-L277 WeakPolarHBondContact O-CB 3.4Å; L273-L277 PolarHBondContact O-N 3.33Å; Q275-L277 VanDerWaalsContact C-N 3.34Å; L277-L280 PolarHBondContact O-N 3.45Å; L277-N281 WeakPolarHBondContact O-CB 3.45Å; L277-N281 VanDerWaalsContact O-CG 3.3Å; L277-N281 PolarHBondContact O-N 2.96Å |
| 278 | A | 91.5 | Very high | 90.1 | Very high | 57 Ų | 57 | 100.4 Ų | 100.4 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K274 Q275 E276 N281 A282 | K274-A278 WeakPolarHBondContact O-CB 3.33Å; K274-A278 PolarHBondContact O-N 2.88Å; Q275-A278 WeakPolarHBondContact O-CB 3.2Å; Q275-A278 PolarHBondContact O-N 3.08Å; E276-A278 VanDerWaalsContact C-N 3.31Å; E276-A278 PolarHBondContact O-N 3.48Å; A278-N281 PolarHBondContact O-N 3.47Å; A278-A282 PolarHBondContact O-N 2.96Å |
| 279 | M | 90.4 | Very high | 89.4 | Confident | 112 Ų | 112 | 103.5 Ų | 103.5 | 55% | 0.552 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.4 | -45.3 | 173.5 | -169.2 | -168 | -57.9 | 0 | 0 | 111 | Q275 E276 N281 A282 V283 | Q275-M279 PolarHBondContact O-N 3.32Å; E276-M279 PolarHBondContact O-N 2.98Å; M279-N281 VanDerWaalsContact C-N 3.32Å; M279-N281 PolarHBondContact O-N 3.21Å; M279-A282 WeakPolarHBondContact O-CB 3.37Å; M279-A282 PolarHBondContact O-N 3.4Å; M279-A282 VanDerWaalsContact O-N 3.16Å; M279-V283 WeakPolarHBondContact O-CG2 3.32Å; M279-V283 PolarHBondContact O-N 2.99Å |
| 280 | L | 90.1 | Very high | 88.8 | Confident | 114 Ų | 114 | 102.7 Ų | 102.7 | 60% | 0.597 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61 | -42.5 | 178.1 | -147.9 | 94.2 | 0 | 0 | 0 | 111.3 | E276 L277 V283 T284 | E276-L280 WeakPolarHBondContact O-CB 3.34Å; E276-L280 PolarHBondContact O-N 3.06Å; L277-L280 PolarHBondContact O-N 3.45Å; L280-V283 PolarHBondContact O-N 3.17Å; L280-T284 WeakPolarHBondContact O-CB 3.43Å; L280-T284 PolarHBondContact O-N 3.32Å; L280-T284 PolarHBondContact O-OG1 3.44Å |
| 281 | N | 89.6 | Confident | 88 | Confident | 95 Ų | 95 | 104 Ų | 104 | 51% | 0.508 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 174.8 | -77.7 | -13.5 | 0 | 0 | 0 | 111.8 | L277 A278 M279 T284 E285 | L277-N281 WeakPolarHBondContact O-CB 3.45Å; L277-N281 VanDerWaalsContact O-CG 3.3Å; L277-N281 PolarHBondContact O-N 2.96Å; A278-N281 PolarHBondContact O-N 3.47Å; M279-N281 VanDerWaalsContact C-N 3.32Å; M279-N281 PolarHBondContact O-N 3.21Å; N281-T284 PolarHBondContact O-N 2.91Å; N281-E285 PolarHBondContact O-N 3.02Å |
| 282 | A | 89.3 | Confident | 87.1 | Confident | 63 Ų | 63 | 106.3 Ų | 106.3 | 52% | 0.521 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A278 M279 T284 E285 D286 | A278-A282 PolarHBondContact O-N 2.96Å; M279-A282 WeakPolarHBondContact O-CB 3.37Å; M279-A282 PolarHBondContact O-N 3.4Å; M279-A282 VanDerWaalsContact O-N 3.16Å; A282-T284 VanDerWaalsContact C-N 3.31Å; A282-T284 PolarHBondContact O-N 2.91Å; A282-E285 PolarHBondContact O-N 3.47Å; A282-D286 PolarHBondContact O-N 2.93Å |
| 283 | V | 89.8 | Confident | 86.2 | Confident | 78 Ų | 78 | 105.7 Ų | 105.7 | 47% | 0.473 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 174.4 | 173.7 | 0 | 0 | 0 | 0 | 111 | M279 L280 D286 L287 | M279-V283 WeakPolarHBondContact O-CG2 3.32Å; M279-V283 PolarHBondContact O-N 2.99Å; L280-V283 PolarHBondContact O-N 3.17Å; V283-D286 PolarHBondContact O-N 3.27Å; V283-L287 HydrophobicContact CG1-CD1 4.02Å; V283-L287 HydrophobicContact CG1-CG 4.43Å; V283-L287 WeakPolarHBondContact O-CB 3.47Å; V283-L287 WeakPolarHBondContact O-CG 3.34Å; V283-L287 PolarHBondContact O-N 3.49Å |
| 284 | T | 86.5 | Confident | 85 | Confident | 72 Ų | 72 | 105.8 Ų | 105.8 | 44% | 0.442 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 178.8 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | L280 N281 A282 L287 R288 | L280-T284 WeakPolarHBondContact O-CB 3.43Å; L280-T284 PolarHBondContact O-N 3.32Å; L280-T284 PolarHBondContact O-OG1 3.44Å; N281-T284 PolarHBondContact O-N 2.91Å; A282-T284 VanDerWaalsContact C-N 3.31Å; A282-T284 PolarHBondContact O-N 2.91Å; T284-L287 PolarHBondContact O-N 3.37Å; T284-R288 WeakPolarHBondContact O-CB 3.45Å; T284-R288 PolarHBondContact O-N 3.2Å |
| 285 | E | 86.8 | Confident | 84 | Confident | 106 Ų | 106 | 101.7 Ų | 101.7 | 50% | 0.495 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.7 | -37.4 | 174.5 | -75.7 | -61.6 | 162.3 | 0 | 0 | 112.5 | N281 A282 R288 L289 | N281-E285 PolarHBondContact O-N 3.02Å; A282-E285 PolarHBondContact O-N 3.47Å; E285-R288 WeakPolarHBondContact O-CB 3.22Å; E285-R288 PolarHBondContact O-N 2.85Å; E285-R288 IonicContact OE1-NE 3.27Å; E285-R288 IonicContact OE2-NE 3.47Å; E285-R288 PolarHBondContact OE2-NE 3.31Å; E285-R288 VanDerWaalsContact OE2-NE 3.1Å; E285-L289 WeakPolarHBondContact O-CB 3.37Å; E285-L289 PolarHBondContact O-N 3.05Å |
| 286 | D | 83.5 | Confident | 82.6 | Confident | 79 Ų | 79 | 98.5 Ų | 98.5 | 42% | 0.422 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 173.6 | -172.3 | 62.2 | 0 | 0 | 0 | 111.8 | A282 V283 R288 L289 K290 | A282-D286 PolarHBondContact O-N 2.93Å; V283-D286 PolarHBondContact O-N 3.27Å; D286-R288 VanDerWaalsContact C-N 3.33Å; D286-L289 WeakPolarHBondContact O-CB 3.4Å; D286-L289 PolarHBondContact O-N 3.34Å; D286-K290 PolarHBondContact O-N 2.89Å; D286-K290 IonicContact OD2-NZ 2.8Å; D286-K290 PolarHBondContact OD2-NZ 2.91Å |
| 287 | L | 81.1 | Confident | 81 | Confident | 105 Ų | 105 | 96.8 Ų | 96.8 | 55% | 0.55 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 172.5 | -74.5 | 170.5 | 0 | 0 | 0 | 111.4 | V283 T284 L289 K290 D291 | V283-L287 HydrophobicContact CG1-CD1 4.02Å; V283-L287 HydrophobicContact CG1-CG 4.43Å; V283-L287 WeakPolarHBondContact O-CB 3.47Å; V283-L287 WeakPolarHBondContact O-CG 3.34Å; V283-L287 PolarHBondContact O-N 3.49Å; T284-L287 PolarHBondContact O-N 3.37Å; L287-L289 VanDerWaalsContact C-N 3.32Å; L287-L289 PolarHBondContact O-N 2.98Å; L287-K290 PolarHBondContact O-N 2.96Å; L287-D291 VanDerWaalsContact O-CB 3.3Å; L287-D291 WeakPolarHBondContact O-CB 3.4Å; L287-D291 PolarHBondContact O-N 3.46Å |
| 288 | R | 78.9 | Confident | 79.4 | Confident | 165 Ų | 165 | 97.7 Ų | 97.7 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.6 | -39.1 | 175.8 | -131.9 | 174.1 | 77.5 | 97.5 | 2.7 | 111.8 | T284 E285 D286 D291 W292 | T284-R288 WeakPolarHBondContact O-CB 3.45Å; T284-R288 PolarHBondContact O-N 3.2Å; E285-R288 WeakPolarHBondContact O-CB 3.22Å; E285-R288 PolarHBondContact O-N 2.85Å; E285-R288 IonicContact OE1-NE 3.27Å; E285-R288 IonicContact OE2-NE 3.47Å; E285-R288 PolarHBondContact OE2-NE 3.31Å; E285-R288 VanDerWaalsContact OE2-NE 3.1Å; D286-R288 VanDerWaalsContact C-N 3.33Å; R288-D291 PolarHBondContact O-N 3.25Å; R288-W292 WeakPolarHBondContact O-CB 3.42Å; R288-W292 PolarHBondContact O-N 3.14Å |
| 289 | L | 78.4 | Confident | 77.8 | Confident | 101 Ų | 101 | 104.2 Ų | 104.2 | 53% | 0.529 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 176.2 | -143.6 | 88.9 | 0 | 0 | 0 | 110.6 | E285 D286 L287 D291 W292 E293 | E285-L289 WeakPolarHBondContact O-CB 3.37Å; E285-L289 PolarHBondContact O-N 3.05Å; D286-L289 WeakPolarHBondContact O-CB 3.4Å; D286-L289 PolarHBondContact O-N 3.34Å; L287-L289 VanDerWaalsContact C-N 3.32Å; L287-L289 PolarHBondContact O-N 2.98Å; L289-D291 VanDerWaalsContact C-N 3.34Å; L289-D291 PolarHBondContact O-N 3.02Å; L289-W292 WeakPolarHBondContact O-CB 3.33Å; L289-W292 PolarHBondContact O-N 3.34Å; L289-E293 WeakPolarHBondContact O-CG 3.42Å; L289-E293 PolarHBondContact O-N 2.87Å |
| 290 | K | 78.6 | Confident | 76 | Confident | 99 Ų | 99 | 105.5 Ų | 105.5 | 43% | 0.43 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.5 | -37 | 175.5 | -77 | 173.8 | 176.7 | 145.9 | 0 | 113.1 | D286 L287 E293 H294 | D286-K290 PolarHBondContact O-N 2.89Å; D286-K290 IonicContact OD2-NZ 2.8Å; D286-K290 PolarHBondContact OD2-NZ 2.91Å; L287-K290 PolarHBondContact O-N 2.96Å; K290-E293 PolarHBondContact O-N 3.44Å; K290-H294 PolarHBondContact O-N 3.45Å; K290-H294 PolarHBondContact O-ND1 3.24Å |
| 291 | D | 78.4 | Confident | 74.4 | Confident | 115 Ų | 115 | 106.7 Ų | 106.7 | 62% | 0.615 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.8 | -34.6 | 176.6 | -159.7 | 36 | 0 | 0 | 0 | 110.9 | L287 R288 L289 H294 S295 | L287-D291 VanDerWaalsContact O-CB 3.3Å; L287-D291 WeakPolarHBondContact O-CB 3.4Å; L287-D291 PolarHBondContact O-N 3.46Å; R288-D291 PolarHBondContact O-N 3.25Å; L289-D291 VanDerWaalsContact C-N 3.34Å; L289-D291 PolarHBondContact O-N 3.02Å; D291-H294 PolarHBondContact O-N 2.87Å; D291-S295 VanDerWaalsContact O-CB 3.24Å; D291-S295 WeakPolarHBondContact O-CB 3.35Å; D291-S295 PolarHBondContact O-N 3.34Å |
| 292 | W | 74.3 | Confident | 72.1 | Confident | 160 Ų | 160 | 106.6 Ų | 106.6 | 61% | 0.606 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.9 | -42.5 | 169.6 | -180 | 84.8 | 0 | 0 | 0 | 112.3 | R288 L289 S295 I296 | R288-W292 WeakPolarHBondContact O-CB 3.42Å; R288-W292 PolarHBondContact O-N 3.14Å; L289-W292 WeakPolarHBondContact O-CB 3.33Å; L289-W292 PolarHBondContact O-N 3.34Å; W292-S295 PolarHBondContact O-N 2.95Å; W292-I296 HydrophobicContact CD2-CD1 3.91Å; W292-I296 HydrophobicContact CD2-CG1 4.4Å; W292-I296 VanDerWaalsContact CE2-CD1 3.43Å; W292-I296 HydrophobicContact CE3-CD1 4.06Å; W292-I296 HydrophobicContact CH2-CD1 3.39Å; W292-I296 HydrophobicContact CZ2-CD1 3.2Å; W292-I296 HydrophobicContact CZ2-CG1 4.36Å; W292-I296 HydrophobicContact CZ3-CD1 3.81Å; W292-I296 PolarHBondContact O-N 2.82Å |
| 293 | E | 75.3 | Confident | 69.7 | Low | 109 Ų | 109 | 112 Ų | 112 | 51% | 0.509 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.7 | -44.3 | 172.7 | -72.3 | 177.2 | 167.2 | 0 | 0 | 111.7 | L289 K290 I296 A297 | L289-E293 WeakPolarHBondContact O-CG 3.42Å; L289-E293 PolarHBondContact O-N 2.87Å; K290-E293 PolarHBondContact O-N 3.44Å; E293-I296 PolarHBondContact O-N 3.42Å; E293-A297 PolarHBondContact O-N 2.92Å |
| 294 | H | 69.3 | Low | 67.2 | Low | 122 Ų | 122 | 113 Ų | 113 | 57% | 0.565 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.2 | -40.9 | 172.9 | -82.9 | 83.4 | 0 | 0 | 0 | 112.1 | K290 D291 A297 L298 | K290-H294 PolarHBondContact O-N 3.45Å; K290-H294 PolarHBondContact O-ND1 3.24Å; D291-H294 PolarHBondContact O-N 2.87Å; H294-A297 WeakPolarHBondContact O-CB 3.47Å; H294-A297 PolarHBondContact O-N 3.3Å; H294-L298 WeakPolarHBondContact O-CB 3.48Å; H294-L298 VanDerWaalsContact O-CG 3.3Å; H294-L298 WeakPolarHBondContact O-CG 3.46Å; H294-L298 PolarHBondContact O-N 3.43Å |
| 295 | S | 71.2 | Confident | 65.1 | Low | 55 Ų | 55 | 119.8 Ų | 119.8 | 39% | 0.385 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.2 | -36.5 | 177.9 | -167.3 | 0 | 0 | 0 | 0 | 112.1 | D291 W292 L298 R299 | D291-S295 VanDerWaalsContact O-CB 3.24Å; D291-S295 WeakPolarHBondContact O-CB 3.35Å; D291-S295 PolarHBondContact O-N 3.34Å; W292-S295 PolarHBondContact O-N 2.95Å; S295-L298 PolarHBondContact O-N 3.16Å; S295-R299 WeakPolarHBondContact O-CB 3.44Å; S295-R299 WeakPolarHBondContact O-CG 3.36Å; S295-R299 PolarHBondContact O-N 3Å |
| 296 | I | 64.8 | Low | 63.2 | Low | 66 Ų | 66 | 117.6 Ų | 117.6 | 34% | 0.338 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.6 | -43.9 | 171.3 | -75.3 | -171.4 | 0 | 0 | 0 | 111.1 | W292 E293 L298 R299 N300 | W292-I296 HydrophobicContact CD2-CD1 3.91Å; W292-I296 HydrophobicContact CD2-CG1 4.4Å; W292-I296 VanDerWaalsContact CE2-CD1 3.43Å; W292-I296 HydrophobicContact CE3-CD1 4.06Å; W292-I296 HydrophobicContact CH2-CD1 3.39Å; W292-I296 HydrophobicContact CZ2-CD1 3.2Å; W292-I296 HydrophobicContact CZ2-CG1 4.36Å; W292-I296 HydrophobicContact CZ3-CD1 3.81Å; W292-I296 PolarHBondContact O-N 2.82Å; E293-I296 PolarHBondContact O-N 3.42Å; I296-L298 VanDerWaalsContact C-N 3.26Å; I296-L298 PolarHBondContact O-N 3.28Å; I296-R299 PolarHBondContact O-N 2.88Å; I296-N300 PolarHBondContact O-N 3.06Å; I296-N300 VanDerWaalsContact O-N 3.16Å |
| 297 | A | 60.2 | Low | 61.6 | Low | 59 Ų | 59 | 119.7 Ų | 119.7 | 49% | 0.488 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -59.1 | -39.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E293 H294 | E293-A297 PolarHBondContact O-N 2.92Å; H294-A297 WeakPolarHBondContact O-CB 3.47Å; H294-A297 PolarHBondContact O-N 3.3Å |
| 298 | L | 60 | Low | 60.4 | Low | 119 Ų | 119 | 121 Ų | 121 | 62% | 0.623 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -75.2 | -31.9 | 176.3 | -70.8 | 167.9 | 0 | 0 | 0 | 113.3 | H294 S295 I296 N300 I301 | H294-L298 WeakPolarHBondContact O-CB 3.48Å; H294-L298 VanDerWaalsContact O-CG 3.3Å; H294-L298 WeakPolarHBondContact O-CG 3.46Å; H294-L298 PolarHBondContact O-N 3.43Å; S295-L298 PolarHBondContact O-N 3.16Å; I296-L298 VanDerWaalsContact C-N 3.26Å; I296-L298 PolarHBondContact O-N 3.28Å; L298-N300 VanDerWaalsContact C-N 3.32Å; L298-N300 PolarHBondContact O-N 3.46Å; L298-I301 PolarHBondContact O-N 3.43Å; L298-I301 VanDerWaalsContact O-N 3.14Å |
| 299 | R | 57.3 | Low | 58.9 | Low | 195 Ų | 195 | 116.2 Ų | 116.2 | 74% | 0.736 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.3 | -24.5 | 175.7 | -88.3 | 179.5 | 166.1 | -179.2 | -1.7 | 113.8 | S295 I296 I301 | S295-R299 WeakPolarHBondContact O-CB 3.44Å; S295-R299 WeakPolarHBondContact O-CG 3.36Å; S295-R299 PolarHBondContact O-N 3Å; I296-R299 PolarHBondContact O-N 2.88Å; R299-I301 PolarHBondContact O-N 3.26Å |
| 300 | N | 51.8 | Low | 57.7 | Low | 139 Ų | 139 | 117.8 Ų | 117.8 | 74% | 0.743 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -8.6 | 170.7 | -83.6 | -10 | 0 | 0 | 0 | 113.2 | I296 L298 | I296-N300 PolarHBondContact O-N 3.06Å; I296-N300 VanDerWaalsContact O-N 3.16Å; L298-N300 VanDerWaalsContact C-N 3.32Å; L298-N300 PolarHBondContact O-N 3.46Å |
| 301 | I | 56.6 | Low | 56.5 | Low | 138 Ų | 138 | 123 Ų | 123 | 71% | 0.708 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -106.2 | 79.3 | 169.8 | -56.5 | 167.2 | 0 | 0 | 0 | 106.5 | L298 R299 | L298-I301 PolarHBondContact O-N 3.43Å; L298-I301 VanDerWaalsContact O-N 3.14Å; R299-I301 PolarHBondContact O-N 3.26Å |
| 302 | S | 41.7 | Very low | 55.2 | Low | 94 Ų | 94 | 120.8 Ų | 120.8 | 66% | 0.657 | 69% | 0.689 | S | S | * | * | trans | -92.8 | 123.1 | 179.2 | 31.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 303 | L | 38.7 | Very low | 54.3 | Low | 176 Ų | 176 | 121.1 Ų | 121.1 | 92% | 0.921 | 70% | 0.702 | S | S | * | * | trans | -176.9 | 136.4 | 130.7 | -99.4 | 142.5 | 0 | 0 | 0 | 113 | ||||
| 304 | A | 38.3 | Very low | 53.4 | Low | 99 Ų | 99 | 125 Ų | 125 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | trans | 86 | 92.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 305 | K | 41.4 | Very low | 52.6 | Low | 214 Ų | 214 | 122.6 Ų | 122.6 | 93% | 0.93 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -79 | 118.9 | 165.8 | -177.4 | 177.4 | -176.4 | 178.5 | 0 | 110 | ||
| 306 | G | 47.9 | Very low | 51.9 | Low | 61 Ų | 61 | 127.8 Ų | 127.8 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 155.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 307 | P | 48.9 | Very low | 51.6 | Low | 122 Ų | 122 | 133.9 Ų | 133.9 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 156.8 | -169.5 | 28.6 | -34.3 | 0 | 0 | 0 | 114.5 | ||
| 308 | P | 56.2 | Low | 51.2 | Low | 132 Ų | 132 | 134.6 Ų | 134.6 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70 | 134.3 | -174.3 | -13.2 | 28.5 | 0 | 0 | 0 | 113 | ||
| 309 | G | 47.5 | Very low | 50.9 | Low | 66 Ų | 66 | 138.9 Ų | 138.9 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 156.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 310 | P | 53.5 | Low | 51 | Low | 134 Ų | 134 | 139 Ų | 139 | 87% | 0.87 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 147.2 | -170.7 | 26.6 | -34 | 0 | 0 | 0 | 113.8 | G312 | P310-G312 PolarHBondContact O-N 3.48Š|
| 311 | K | 52.2 | Low | 51.1 | Low | 208 Ų | 208 | 135.7 Ų | 135.7 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 118.9 | 179.6 | -166.6 | 176.7 | -177.1 | -176.3 | 0 | 109.8 | ||
| 312 | G | 52.1 | Low | 51.1 | Low | 68 Ų | 68 | 140.8 Ų | 140.8 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 148.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P310 | P310-G312 PolarHBondContact O-N 3.48Š|
| 313 | D | 55.3 | Low | 52.2 | Low | 167 Ų | 167 | 142.4 Ų | 142.4 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 148.5 | -176.9 | -62.9 | -47.1 | 0 | 0 | 0 | 113 | G315 | D313-G315 PolarHBondContact O-N 2.91Š|
| 314 | Q | 56.2 | Low | 52.8 | Low | 192 Ų | 192 | 137.3 Ų | 137.3 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 118.6 | -178 | -177.2 | 168.5 | -6 | 0 | 0 | 110.5 | ||
| 315 | G | 53.1 | Low | 53.9 | Low | 70 Ų | 70 | 140.4 Ų | 140.4 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 140.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D313 | D313-G315 PolarHBondContact O-N 2.91Š|
| 316 | D | 56 | Low | 55 | Low | 164 Ų | 164 | 135.8 Ų | 135.8 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 141.2 | -177 | -60.5 | -51.6 | 0 | 0 | 0 | 113.5 | ||
| 317 | E | 59.6 | Low | 55.2 | Low | 195 Ų | 195 | 136.3 Ų | 136.3 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 134.7 | 173.8 | -80 | 179.8 | 151 | 0 | 0 | 112 | ||
| 318 | G | 51.7 | Low | 55.6 | Low | 74 Ų | 74 | 138.7 Ų | 138.7 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 134.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E320 | G318-E320 PolarHBondContact O-N 2.9Š|
| 319 | K | 53.8 | Low | 55.9 | Low | 209 Ų | 209 | 138.3 Ų | 138.3 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 125.5 | 174.8 | -63.2 | 177.9 | 179.6 | 178.8 | 0 | 110.7 | G321 | K319-G321 PolarHBondContact O-N 3.14Š|
| 320 | E | 59.2 | Low | 56.2 | Low | 197 Ų | 197 | 138.7 Ų | 138.7 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 134.2 | 171.5 | -73.9 | -176.9 | 148 | 0 | 0 | 111.5 | G318 | G318-E320 PolarHBondContact O-N 2.9Š|
| 321 | G | 53 | Low | 56.3 | Low | 70 Ų | 70 | 141.2 Ų | 141.2 | 72% | 0.722 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 146.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K319 | K319-G321 PolarHBondContact O-N 3.14Š|
| 322 | R | 56.5 | Low | 56.4 | Low | 244 Ų | 244 | 143.1 Ų | 143.1 | 92% | 0.921 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 133.8 | 177.5 | -65.8 | -179.7 | -179.6 | -160.9 | -0.8 | 110.8 | ||
| 323 | P | 64.4 | Low | 56.4 | Low | 128 Ų | 128 | 142.9 Ų | 142.9 | 83% | 0.831 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -59 | 137.8 | 173.6 | -23.7 | 33.3 | 0 | 0 | 0 | 112.2 | ||
| 324 | G | 52.9 | Low | 56.4 | Low | 70 Ų | 70 | 143.5 Ų | 143.5 | 72% | 0.722 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 150 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P326 | G324-P326 WeakPolarHBondContact O-CD 3.48Š|
| 325 | I | 60.4 | Low | 56.5 | Low | 164 Ų | 164 | 140.4 Ų | 140.4 | 84% | 0.841 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 125.1 | -179.7 | -55.6 | 167.8 | 0 | 0 | 0 | 109.3 | ||
| 326 | P | 63.8 | Low | 56.3 | Low | 117 Ų | 117 | 140.8 Ų | 140.8 | 76% | 0.76 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 136.7 | 173.9 | -22.4 | 33.8 | 0 | 0 | 0 | 112.1 | G324 | G324-P326 WeakPolarHBondContact O-CD 3.48Š|
| 327 | G | 52.9 | Low | 56.1 | Low | 71 Ų | 71 | 141.6 Ų | 141.6 | 73% | 0.732 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 149.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 328 | L | 56.5 | Low | 55.5 | Low | 173 Ų | 173 | 143 Ų | 143 | 91% | 0.906 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 131.1 | 177.9 | -83.9 | 128 | 0 | 0 | 0 | 111.7 | ||
| 329 | P | 63.1 | Low | 54.9 | Low | 124 Ų | 124 | 142.9 Ų | 142.9 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 136.9 | 172.8 | -21.2 | 32.4 | 0 | 0 | 0 | 112.1 | ||
| 330 | G | 53.1 | Low | 54.8 | Low | 74 Ų | 74 | 138.7 Ų | 138.7 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -63 | 148.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R332 | G330-R332 PolarHBondContact O-N 2.85Š|
| 331 | L | 56.8 | Low | 54.7 | Low | 186 Ų | 186 | 135.5 Ų | 135.5 | 97% | 0.974 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 122.2 | 176.5 | -73.8 | 163.6 | 0 | 0 | 0 | 110.8 | ||
| 332 | R | 54.5 | Low | 54.2 | Low | 249 Ų | 249 | 135.8 Ų | 135.8 | 94% | 0.94 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 128.6 | 175.4 | -167.2 | 173.7 | -178.2 | -177.5 | -0.3 | 109.5 | G330 | G330-R332 PolarHBondContact O-N 2.85Š|
| 333 | G | 50.7 | Low | 53.9 | Low | 63 Ų | 63 | 132.3 Ų | 132.3 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 154.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P335 | G333-P335 WeakPolarHBondContact O-CD 3.35Š|
| 334 | L | 55.6 | Low | 53.6 | Low | 179 Ų | 179 | 132.1 Ų | 132.1 | 94% | 0.937 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 124.6 | 178.2 | -69.8 | 165.5 | 0 | 0 | 0 | 111.4 | ||
| 335 | P | 58.5 | Low | 53.3 | Low | 127 Ų | 127 | 131.9 Ų | 131.9 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 138.7 | 168.6 | -13.2 | 29.9 | 0 | 0 | 0 | 111.4 | G333 | G333-P335 WeakPolarHBondContact O-CD 3.35Š|
| 336 | G | 49.8 | Very low | 53 | Low | 78 Ų | 78 | 130.5 Ų | 130.5 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 168 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 337 | E | 52 | Low | 52.4 | Low | 181 Ų | 181 | 134.7 Ų | 134.7 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 136.7 | 176.1 | -69.8 | -166.8 | 154.5 | 0 | 0 | 113.4 | ||
| 338 | R | 45.4 | Very low | 51.9 | Low | 224 Ų | 224 | 134.8 Ų | 134.8 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | 128.3 | 135.4 | 126.3 | -167.6 | 179.2 | -73.2 | -159.1 | -0.4 | 116 | |||||
| 339 | G | 40.6 | Very low | 51.5 | Low | 72 Ų | 72 | 133.9 Ų | 133.9 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | trans | -162.1 | 127.6 | 144.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 340 | T | 50.5 | Low | 50.7 | Low | 122 Ų | 122 | 136.3 Ų | 136.3 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 149.5 | 175.4 | 43 | 0 | 0 | 0 | 0 | 111.7 | ||
| 341 | P | 56.7 | Low | 50 | Low | 130 Ų | 130 | 136.6 Ų | 136.6 | 84% | 0.844 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 142.3 | 178.2 | -21.7 | 33 | 0 | 0 | 0 | 113.4 | ||
| 342 | G | 43.7 | Very low | 49.1 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 156.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 343 | L | 49.9 | Very low | 48.4 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 145.8 | 176 | -73 | 161.5 | 0 | 0 | 0 | 112.1 | ||
| 344 | P | 58.8 | Low | 47.8 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 81% | 0.805 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 138.6 | 172 | -20 | 32.1 | 0 | 0 | 0 | 112.5 | ||
| 345 | G | 46.7 | Very low | 47.5 | Very low | 65 Ų | 65 | 131.7 Ų | 131.7 | 67% | 0.67 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 160 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 346 | P | 52.8 | Low | 46.9 | Very low | 135 Ų | 135 | 132.5 Ų | 132.5 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 137 | 178.7 | 28.6 | -33 | 0 | 0 | 0 | 111.3 | ||
| 347 | K | 52 | Low | 46.4 | Very low | 206 Ų | 206 | 131.6 Ų | 131.6 | 90% | 0.896 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 127.2 | 170.6 | -170.7 | 175.1 | -178.8 | -179.2 | 0 | 108.4 | ||
| 348 | G | 42 | Very low | 46.2 | Very low | 72 Ų | 72 | 129.7 Ų | 129.7 | 74% | 0.742 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 143.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 349 | D | 48.6 | Very low | 46.1 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 83% | 0.829 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 133.1 | 165.5 | -68.4 | -39.7 | 0 | 0 | 0 | 109.6 | ||
| 350 | D | 46.7 | Very low | 46 | Very low | 175 Ų | 175 | 128 Ų | 128 | 94% | 0.936 | 83% | 0.831 | S | S | * | * | trans | -156.1 | 127.7 | 151.3 | -92 | -35.3 | 0 | 0 | 0 | 110.2 | ||||
| 351 | G | 37 | Very low | 45.7 | Very low | 79 Ų | 79 | 131.8 Ų | 131.8 | 81% | 0.814 | 84% | 0.842 | S | S | * | * | trans | 115.1 | 89.2 | 153.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 352 | K | 39.3 | Very low | 45 | Very low | 210 Ų | 210 | 137.2 Ų | 137.2 | 91% | 0.913 | 85% | 0.845 | S | S | * | * | trans | -66 | 133.9 | 167.5 | -66 | 178.6 | 176.9 | -178.8 | 0 | 111.9 | ||||
| 353 | L | 40.3 | Very low | 44.8 | Very low | 181 Ų | 181 | 136.8 Ų | 136.8 | 95% | 0.948 | 84% | 0.841 | S | S | * | * | trans | -131.7 | 142.5 | 148.2 | -127.8 | 88.8 | 0 | 0 | 0 | 109.1 | ||||
| 354 | G | 37.2 | Very low | 44.4 | Very low | 77 Ų | 77 | 139 Ų | 139 | 79% | 0.794 | 84% | 0.844 | S | S | * | * | trans | -68.1 | 173.3 | -154.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 355 | A | 48.3 | Very low | 43.6 | Very low | 106 Ų | 106 | 142.9 Ų | 142.9 | 88% | 0.876 | 85% | 0.848 | S | S | * | * | trans | -57.6 | 138.4 | -162.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 356 | T | 45.8 | Very low | 43.4 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 88% | 0.883 | 85% | 0.85 | S | S | * | * | trans | -119.8 | 133.8 | 157.9 | -58.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 357 | G | 40.7 | Very low | 42.9 | Very low | 59 Ų | 59 | 145.9 Ų | 145.9 | 61% | 0.608 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -64 | 171.8 | -164.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | M359 | G357-M359 PolarHBondContact O-N 2.92Š|
| 358 | P | 47.8 | Very low | 42.3 | Very low | 141 Ų | 141 | 147.8 Ų | 147.8 | 92% | 0.916 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 116.8 | -171.5 | 29 | -32.4 | 0 | 0 | 0 | 110.9 | ||
| 359 | M | 43.2 | Very low | 42.4 | Very low | 191 Ų | 191 | 147.1 Ų | 147.1 | 94% | 0.941 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 129.9 | 165.4 | -152.4 | 168.8 | 100 | 0 | 0 | 109 | G357 | G357-M359 PolarHBondContact O-N 2.92Š|
| 360 | G | 39.1 | Very low | 42.2 | Very low | 71 Ų | 71 | 146.2 Ų | 146.2 | 73% | 0.732 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 151.9 | -161.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | R362 | G360-R362 PolarHBondContact O-N 3.41Š|
| 361 | M | 43.2 | Very low | 41.9 | Very low | 200 Ų | 200 | 147.8 Ų | 147.8 | 99% | 0.985 | 85% | 0.847 | S | S | * | * | trans | -62.9 | 113.6 | 174.4 | -63.9 | -173.4 | -67.2 | 0 | 0 | 110.5 | ||||
| 362 | R | 41.6 | Very low | 42 | Very low | 244 Ų | 244 | 147.3 Ų | 147.3 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 126.1 | 162.7 | -165.6 | 175.1 | -62.1 | -122.4 | -0.4 | 107.7 | G360 | G360-R362 PolarHBondContact O-N 3.41Š|
| 363 | G | 40.3 | Very low | 42.3 | Very low | 66 Ų | 66 | 146.5 Ų | 146.5 | 68% | 0.68 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 154.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | K365 | G363-K365 PolarHBondContact O-N 3.45Š|
| 364 | F | 41.7 | Very low | 42.2 | Very low | 217 Ų | 217 | 147.9 Ų | 147.9 | 95% | 0.952 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -52 | 126.5 | -177.6 | -65.6 | -90.4 | 0 | 0 | 0 | 113.1 | G366 | F364-G366 PolarHBondContact O-N 3.45Š|
| 365 | K | 42.3 | Very low | 42.2 | Very low | 207 Ų | 207 | 147.4 Ų | 147.4 | 90% | 0.9 | 84% | 0.835 | S | S | * | * | trans | -73.8 | 112.1 | 166.3 | -174.6 | 174.9 | -177 | 176.9 | 0 | 107.7 | G363 | G363-K365 PolarHBondContact O-N 3.45Š| ||
| 366 | G | 41.1 | Very low | 41.9 | Very low | 69 Ų | 69 | 152 Ų | 152 | 71% | 0.711 | 84% | 0.838 | S | S | * | * | trans | -57.2 | 144.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F364 | F364-G366 PolarHBondContact O-N 3.45Š| ||
| 367 | E | 42.7 | Very low | 41.4 | Very low | 194 Ų | 194 | 154.7 Ų | 154.7 | 91% | 0.907 | 84% | 0.838 | S | S | * | * | trans | -62.6 | 141.2 | -179.7 | -65.4 | -179.5 | 155.2 | 0 | 0 | 111.8 | G369 | E367-G369 PolarHBondContact O-N 3.06Š| ||
| 368 | R | 40.3 | Very low | 41.1 | Very low | 246 Ų | 246 | 155.1 Ų | 155.1 | 93% | 0.928 | 84% | 0.842 | S | S | * | * | trans | -74.1 | 115.7 | 176.8 | 179.9 | 176.2 | -73.9 | -169.4 | -5.2 | 108.6 | ||||
| 369 | G | 42.2 | Very low | 40.6 | Very low | 57 Ų | 57 | 156 Ų | 156 | 59% | 0.588 | 84% | 0.839 | S | S | * | * | trans | -60.4 | 156.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E367 | E367-G369 PolarHBondContact O-N 3.06Š| ||
| 370 | P | 44.9 | Very low | 40.4 | Very low | 137 Ų | 137 | 158.9 Ų | 158.9 | 89% | 0.89 | 84% | 0.839 | S | S | * | * | trans | -63.1 | 145 | -174.2 | 25.3 | -33.3 | 0 | 0 | 0 | 112.5 | G372 | P370-G372 PolarHBondContact O-N 2.94Š| ||
| 371 | K | 41 | Very low | 40.2 | Very low | 208 Ų | 208 | 160.4 Ų | 160.4 | 90% | 0.904 | 85% | 0.845 | S | S | * | * | trans | -65.4 | 112.8 | 178.6 | -174.9 | 178.2 | -178.9 | -178.7 | 0 | 109.8 | ||||
| 372 | G | 40 | Very low | 39.9 | Very low | 68 Ų | 68 | 154.5 Ų | 154.5 | 70% | 0.701 | 84% | 0.836 | S | S | * | * | trans | -65.5 | 148.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P370 | P370-G372 PolarHBondContact O-N 2.94Š| ||
| 373 | E | 45.3 | Very low | 39.5 | Very low | 194 Ų | 194 | 151.1 Ų | 151.1 | 91% | 0.907 | 84% | 0.835 | S | S | * | * | trans | -62.6 | 151.7 | -176.9 | -65.9 | 175.9 | 148.9 | 0 | 0 | 113 | G375 | E373-G375 PolarHBondContact O-N 3.03Š| ||
| 374 | K | 37 | Very low | 39.6 | Very low | 209 Ų | 209 | 152.4 Ų | 152.4 | 91% | 0.909 | 84% | 0.84 | S | S | * | * | trans | -76.8 | 99.6 | -176 | -172.3 | -177.4 | -177.1 | -173.9 | 0 | 109.8 | ||||
| 375 | G | 37.9 | Very low | 39.5 | Very low | 68 Ų | 68 | 147.4 Ų | 147.4 | 70% | 0.701 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 151.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E373 | E373-G375 PolarHBondContact O-N 3.03Š|
| 376 | E | 41 | Very low | 39.4 | Very low | 201 Ų | 201 | 140.6 Ų | 140.6 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 158.1 | -167.4 | -66.7 | 178.1 | 132 | 0 | 0 | 115.1 | ||
| 377 | K | 36.2 | Very low | 39.4 | Very low | 202 Ų | 202 | 144.6 Ų | 144.6 | 88% | 0.878 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 124.7 | -176.3 | -172.6 | -176.8 | -178 | -170.5 | 0 | 110.2 | ||
| 378 | G | 34.9 | Very low | 39.6 | Very low | 67 Ų | 67 | 142.3 Ų | 142.3 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | trans | -148.4 | 147.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 379 | D | 36.8 | Very low | 40.3 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -78.5 | 160.9 | -143.3 | -64.1 | -58.8 | 0 | 0 | 0 | 118.5 | ||||
| 380 | R | 39.9 | Very low | 41.2 | Very low | 253 Ų | 253 | 134.6 Ų | 134.6 | 96% | 0.955 | 80% | 0.796 | S | S | * | * | trans | -67.8 | 131.4 | 177.7 | -79.8 | 179.1 | 166.6 | 121.2 | -5.5 | 113.8 | ||||
| 381 | A | 35 | Very low | 42.8 | Very low | 103 Ų | 103 | 132 Ų | 132 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | -173.1 | 120.7 | 127.4 | 0 | 0 | 0 | 0 | 0 | 104.7 | |||||
| 382 | G | 35.6 | Very low | 45.2 | Very low | 76 Ų | 76 | 125.7 Ų | 125.7 | 78% | 0.784 | 75% | 0.747 | S | S | * | * | 122.6 | 116.2 | 57.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 383 | D | 33.6 | Very low | 47.9 | Very low | 172 Ų | 172 | 123.5 Ų | 123.5 | 92% | 0.92 | 72% | 0.719 | S | S | * | * | trans | 92.9 | 139.2 | 162 | -129.1 | -7.1 | 0 | 0 | 0 | 121.3 | ||||
| 384 | A | 43.2 | Very low | 50.3 | Low | 94 Ų | 94 | 119 Ų | 119 | 78% | 0.777 | 69% | 0.694 | S | S | * | * | trans | -95 | 128 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 385 | S | 39.3 | Very low | 53.2 | Low | 111 Ų | 111 | 110.5 Ų | 110.5 | 78% | 0.776 | 66% | 0.658 | S | S | * | * | trans | -152.1 | 156.8 | 154.8 | 69.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 386 | G | 40 | Very low | 56.1 | Low | 64 Ų | 64 | 108.8 Ų | 108.8 | 66% | 0.66 | 63% | 0.634 | S | S | * | * | trans | -51.7 | 157 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E388 | G386-E388 PolarHBondContact O-N 3.29Š| ||
| 387 | V | 40.1 | Very low | 58.7 | Low | 153 Ų | 153 | 104.1 Ų | 104.1 | 93% | 0.927 | 62% | 0.616 | S | S | * | * | trans | -61.4 | 88.4 | 171.3 | -177.9 | 0 | 0 | 0 | 0 | 108 | A389 | V387-A389 PolarHBondContact O-N 3.42Š| ||
| 388 | E | 48.7 | Very low | 61.5 | Low | 146 Ų | 146 | 95.8 Ų | 95.8 | 68% | 0.682 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 125.9 | 159.6 | -74.6 | -165.4 | 158.6 | 0 | 0 | 106 | G386 | G386-E388 PolarHBondContact O-N 3.29Š|
| 389 | A | 53.8 | Low | 64.3 | Low | 48 Ų | 48 | 98.3 Ų | 98.3 | 40% | 0.397 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -51.3 | 143.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | V387 M391 | V387-A389 PolarHBondContact O-N 3.42Å; A389-M391 PolarHBondContact O-N 3.03Å |
| 390 | P | 62 | Low | 66.9 | Low | 94 Ų | 94 | 91.9 Ų | 91.9 | 61% | 0.61 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 119.2 | 178 | 20.7 | -31.1 | 0 | 0 | 0 | 108.4 | M392 | P390-M392 WeakPolarHBondContact O-CG 3.4Å; P390-M392 PolarHBondContact O-N 3.43Å; P390-M392 VanDerWaalsContact O-N 3.08Å |
| 391 | M | 76.8 | Confident | 69.5 | Low | 81 Ų | 81 | 85 Ų | 85 | 40% | 0.399 | 55% | 0.554 | S | S | . | * | trans | -66.4 | 110.6 | 177.1 | -62.4 | -176.6 | -93.9 | 0 | 0 | 107.3 | A389 F470 | A389-M391 PolarHBondContact O-N 3.03Å; M391-F470 HydrophobicContact CB-CD2 3.45Å; M391-F470 VanDerWaalsContact CB-CD2 3.45Å; M391-F470 HydrophobicContact CB-CE1 4.37Å; M391-F470 HydrophobicContact CB-CE2 3.23Å; M391-F470 HydrophobicContact CB-CG 4.12Å; M391-F470 HydrophobicContact CB-CZ 3.74Å; M391-F470 HydrophobicContact CE-CB 4.36Å; M391-F470 HydrophobicContact CE-CD2 4.49Å; M391-F470 HydrophobicContact CG-CD2 4.25Å; M391-F470 HydrophobicContact CG-CE2 4.38Å; M391-F470 HydrophobicContact SD-CB 3.74Å; M391-F470 HydrophobicContact SD-CD1 4.19Å; M391-F470 HydrophobicContact SD-CD2 3.79Å; M391-F470 HydrophobicContact SD-CE2 4.46Å; M391-F470 HydrophobicContact SD-CG 3.62Å | ||
| 392 | M | 92.1 | Very high | 72.4 | Confident | 77 Ų | 77 | 81 Ų | 81 | 38% | 0.379 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 150.4 | -172.8 | -71.5 | 172.6 | -71.5 | 0 | 0 | 110.7 | P390 Y409 W414 | P390-M392 WeakPolarHBondContact O-CG 3.4Å; P390-M392 PolarHBondContact O-N 3.43Å; P390-M392 VanDerWaalsContact O-N 3.08Å; M392-Y409 HydrophobicContact CE-CD1 3.38Å; M392-Y409 HydrophobicContact CE-CE1 3.73Å; M392-Y409 HydrophobicContact CE-CG 3.88Å; M392-Y409 PolarHBondContact O-N 3.48Å; M392-W414 HydrophobicContact CB-CH2 3.84Å; M392-W414 HydrophobicContact CB-CZ2 4.41Å |
| 393 | I | 96.1 | Very high | 75.4 | Confident | 21 Ų | 21 | 79 Ų | 79 | 11% | 0.108 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 148.3 | 175.7 | -171.3 | 165.4 | 0 | 0 | 0 | 109.3 | V406 E407 V408 V430 M433 L434 I469 | I393-V406 HydrophobicContact CD1-CG1 3.87Å; I393-V406 HydrophobicContact CG1-CG1 4.2Å; I393-E407 WeakPolarHBondContact CA-O 3.44Å; I393-V408 HydrophobicContact CD1-CG1 4.33Å; I393-V408 HydrophobicContact CG1-CG1 4.28Å; I393-V430 HydrophobicContact CD1-CB 4.2Å; I393-V430 HydrophobicContact CD1-CG1 3.7Å; I393-V430 HydrophobicContact CD1-CG2 3.76Å; I393-M433 HydrophobicContact CB-CE 4.08Å; I393-M433 HydrophobicContact CB-SD 4.36Å; I393-M433 HydrophobicContact CD1-SD 4.42Å; I393-M433 HydrophobicContact CG2-CE 3.5Å; I393-M433 HydrophobicContact CG2-CG 4.04Å; I393-M433 HydrophobicContact CG2-SD 3.72Å; I393-L434 HydrophobicContact CG2-CD2 3.78Å; I393-L434 HydrophobicContact CG2-CG 4.01Å; I393-I469 HydrophobicContact CD1-CG2 4Å |
| 394 | R | 96.5 | Very high | 78.5 | Confident | 99 Ų | 99 | 70.8 Ų | 70.8 | 37% | 0.374 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 157.6 | 173.8 | 70.5 | -177.2 | -177.4 | -178.2 | 1.4 | 111.5 | V396 E407 W414 | R394-V396 HydrophobicContact CG-CG2 3.8Å; R394-E407 HydrophobicContact CG-CB 3.98Å; R394-E407 IonicContact CZ-OE2 3.49Å; R394-E407 PolarHBondContact N-O 2.92Å; R394-E407 IonicContact NE-OE2 3.1Å; R394-E407 PolarHBondContact NE-OE2 2.91Å; R394-E407 IonicContact NH2-OE2 2.74Å; R394-E407 PolarHBondContact NH2-OE2 2.75Å; R394-E407 PolarHBondContact O-N 3.47Å; R394-W414 HydrophobicContact CB-CH2 4.01Å; R394-W414 HydrophobicContact CB-CZ3 4.12Å; R394-W414 HydrophobicContact CG-CE3 3.95Å; R394-W414 HydrophobicContact CG-CH2 3.78Å; R394-W414 HydrophobicContact CG-CZ2 4.4Å; R394-W414 HydrophobicContact CG-CZ3 3.54Å |
| 395 | L | 97.8 | Very high | 81.1 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 17% | 0.168 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 132.7 | 168.8 | -55.6 | -177.3 | 0 | 0 | 0 | 109.5 | R405 V406 V430 L434 V490 | L395-R405 WeakPolarHBondContact CA-O 3.49Å; L395-V406 HydrophobicContact CD2-CG2 3.97Å; L395-V430 HydrophobicContact CD2-CG1 4.3Å; L395-L434 HydrophobicContact CD1-CD1 3.81Å; L395-L434 HydrophobicContact CD2-CD1 3.97Å; L395-L434 HydrophobicContact CG-CD1 3.6Å; L395-V490 HydrophobicContact CD1-CG2 3.86Å; L395-V490 HydrophobicContact CD2-CG2 3.55Å; L395-V490 HydrophobicContact CG-CG2 4.38Å |
| 396 | V | 97.9 | Very high | 83.9 | Confident | 31 Ų | 31 | 61.5 Ų | 61.5 | 19% | 0.188 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 148.1 | -175.7 | -172.1 | 0 | 0 | 0 | 0 | 110.4 | R394 G398 G404 R405 E407 | R394-V396 HydrophobicContact CG-CG2 3.8Å; V396-G398 PolarHBondContact O-N 2.93Å; V396-G404 CarbonylContact O-C 3.08Å; V396-G404 VanDerWaalsContact O-CA 3.29Å; V396-G404 WeakPolarHBondContact O-CA 3.37Å; V396-R405 PolarHBondContact N-O 3.38Å; V396-R405 PolarHBondContact O-N 3.36Å; V396-E407 HydrophobicContact CG2-CG 4.23Å |
| 397 | N | 96.5 | Very high | 86.7 | Confident | 104 Ų | 104 | 59.1 Ų | 59.1 | 56% | 0.556 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 62.1 | 16.4 | 177 | -65.1 | -9.9 | 0 | 0 | 0 | 116.2 | R405 F448 | N397-R405 PolarHBondContact ND2-NH1 2.99Å; N397-F448 HydrophobicContact CB-CB 4.19Å; N397-F448 WeakPolarHBondContact CB-O 3.46Å; N397-F448 PolarHBondContact ND2-O 3.42Å; N397-F448 WeakPolarHBondContact O-CD1 3.42Å |
| 398 | G | 94.5 | Very high | 89.4 | Confident | 27 Ų | 27 | 51.8 Ų | 51.8 | 28% | 0.278 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -81 | 165.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V396 G400 E403 | V396-G398 PolarHBondContact O-N 2.93Å; G398-G400 PolarHBondContact O-N 3.46Å; G398-E403 WeakPolarHBondContact CA-O 3.38Å |
| 399 | S | 93.9 | Very high | 91.6 | Very high | 120 Ų | 120 | 47.3 Ų | 47.3 | 84% | 0.839 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -73.5 | -11.5 | 175.9 | -36.8 | 0 | 0 | 0 | 0 | 112.5 | E403 | S399-E403 WeakPolarHBondContact CA-OE1 3.4Å; S399-E403 WeakPolarHBondContact CB-OE1 3.48Å; S399-E403 PolarHBondContact N-OE1 2.9Å; S399-E403 PolarHBondContact OG-OE1 2.95Å |
| 400 | G | 92.4 | Very high | 93.5 | Very high | 24 Ų | 24 | 47.5 Ų | 47.5 | 25% | 0.247 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -162.4 | -177.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G398 H402 E403 | G398-G400 PolarHBondContact O-N 3.46Å; G400-H402 PolarHBondContact O-N 3.16Å; G400-E403 PolarHBondContact O-N 3.09Å |
| 401 | P | 94.3 | Very high | 94.8 | Very high | 109 Ų | 109 | 47.9 Ų | 47.9 | 71% | 0.708 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -9.1 | -172.8 | 29.8 | -36.8 | 0 | 0 | 0 | 114.6 | F436 | P401-F436 WeakPolarHBondContact O-CE2 3.42Å; P401-F436 VanDerWaalsContact O-CZ 3.3Å; P401-F436 WeakPolarHBondContact O-CZ 3.45Å |
| 402 | H | 96.3 | Very high | 95.4 | Very high | 19 Ų | 19 | 53.2 Ų | 53.2 | 9% | 0.088 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 2.4 | -175.5 | 60.5 | -74.7 | 0 | 0 | 0 | 112.4 | G400 F436 T491 C492 R494 | G400-H402 PolarHBondContact O-N 3.16Å; H402-F436 HydrophobicContact CB-CD1 4.29Å; H402-F436 HydrophobicContact CB-CE1 3.73Å; H402-F436 HydrophobicContact CB-CE2 4.45Å; H402-F436 HydrophobicContact CB-CZ 3.83Å; H402-T491 CarbonylContact O-C 3.56Å; H402-T491 WeakPolarHBondContact O-CA 3.43Å; H402-C492 HydrophobicContact CB-CB 4.33Å; H402-C492 WeakPolarHBondContact O-CB 3.43Å; H402-C492 PolarHBondContact O-N 3.27Å; H402-R494 PolarHBondContact CE1-NE 3.24Å; H402-R494 PolarHBondContact CE1-NH2 3.14Å; H402-R494 VanDerWaalsContact NE2-CZ 3.34Å; H402-R494 PolarHBondContact NE2-NE 3.31Å; H402-R494 PolarHBondContact NE2-NH2 3.48Å |
| 403 | E | 97.6 | Very high | 95.5 | Very high | 32 Ų | 32 | 57.5 Ų | 57.5 | 15% | 0.15 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 154.1 | 177.5 | 57.5 | 170.2 | -160.9 | 0 | 0 | 111 | G398 S399 G400 F448 V490 T491 | G398-E403 WeakPolarHBondContact CA-O 3.38Å; S399-E403 WeakPolarHBondContact CA-OE1 3.4Å; S399-E403 WeakPolarHBondContact CB-OE1 3.48Å; S399-E403 PolarHBondContact N-OE1 2.9Å; S399-E403 PolarHBondContact OG-OE1 2.95Å; G400-E403 PolarHBondContact O-N 3.09Å; E403-F448 HydrophobicContact CB-CE1 4.29Å; E403-F448 HydrophobicContact CB-CZ 3.85Å; E403-F448 HydrophobicContact CG-CE1 4.25Å; E403-F448 HydrophobicContact CG-CZ 4.29Å; E403-V490 CarbonylContact C-O 3.49Å; E403-V490 VanDerWaalsContact CA-O 3.26Å; E403-V490 WeakPolarHBondContact CA-O 3.48Å; E403-T491 HydrophobicContact CB-CG2 4.14Å; E403-T491 WeakPolarHBondContact CB-OG1 3.3Å |
| 404 | G | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.8 | 179.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | V396 F448 S489 V490 | V396-G404 CarbonylContact O-C 3.08Å; V396-G404 VanDerWaalsContact O-CA 3.29Å; V396-G404 WeakPolarHBondContact O-CA 3.37Å; G404-F448 VanDerWaalsContact CA-CD2 3.47Å; G404-S489 WeakPolarHBondContact O-CA 3.3Å; G404-V490 PolarHBondContact N-O 2.87Å; G404-V490 PolarHBondContact O-N 3.1Å |
| 405 | R | 98.6 | Very high | 95.5 | Very high | 11 Ų | 11 | 55.6 Ų | 55.6 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 135.7 | 169.1 | -179.6 | 178 | 61.5 | -97.8 | -4.5 | 109.4 | L395 V396 N397 E407 T416 F448 G449 D487 S489 | L395-R405 WeakPolarHBondContact CA-O 3.49Å; V396-R405 PolarHBondContact N-O 3.38Å; V396-R405 PolarHBondContact O-N 3.36Å; N397-R405 PolarHBondContact ND2-NH1 2.99Å; R405-E407 IonicContact CZ-OE1 2.72Å; R405-E407 IonicContact NE-OE1 3.17Å; R405-E407 PolarHBondContact NE-OE1 3.19Å; R405-E407 IonicContact NH2-OE1 3.71Å; R405-E407 PolarHBondContact NH2-OE1 3.47Å; R405-T416 HydrophobicContact CG-CG2 4.45Å; R405-F448 HydrophobicContact CB-CB 4.27Å; R405-F448 PolarHBondContact NH1-O 2.91Å; R405-F448 VanDerWaalsContact NH1-O 3.16Å; R405-G449 WeakPolarHBondContact CD-O 3.49Å; R405-G449 PolarHBondContact NH1-O 3.48Å; R405-D487 HydrophobicContact CG-CB 4.08Å; R405-S489 WeakPolarHBondContact CA-OG 3.42Å |
| 406 | V | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 123 | 179.7 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | I393 L395 V417 W422 V430 A488 V490 | I393-V406 HydrophobicContact CD1-CG1 3.87Å; I393-V406 HydrophobicContact CG1-CG1 4.2Å; L395-V406 HydrophobicContact CD2-CG2 3.97Å; V406-V417 HydrophobicContact CB-CG2 4.38Å; V406-V417 HydrophobicContact CG1-CG2 3.92Å; V406-W422 HydrophobicContact CG2-CH2 4.38Å; V406-W422 HydrophobicContact CG2-CZ2 3.98Å; V406-V430 HydrophobicContact CG1-CG1 4.42Å; V406-V430 HydrophobicContact CG1-CG2 4.34Å; V406-V430 HydrophobicContact CG2-CG1 4.29Å; V406-A488 PolarHBondContact N-O 2.89Å; V406-V490 HydrophobicContact CG2-CG1 3.87Å; V406-V490 HydrophobicContact CG2-CG2 4.03Å |
| 407 | E | 98.2 | Very high | 95.6 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 137.2 | 172.3 | -70.9 | -178.6 | -170.8 | 0 | 0 | 110.6 | I393 R394 V396 R405 W414 G415 T416 | I393-E407 WeakPolarHBondContact CA-O 3.44Å; R394-E407 HydrophobicContact CG-CB 3.98Å; R394-E407 IonicContact CZ-OE2 3.49Å; R394-E407 PolarHBondContact N-O 2.92Å; R394-E407 IonicContact NE-OE2 3.1Å; R394-E407 PolarHBondContact NE-OE2 2.91Å; R394-E407 IonicContact NH2-OE2 2.74Å; R394-E407 PolarHBondContact NH2-OE2 2.75Å; R394-E407 PolarHBondContact O-N 3.47Å; V396-E407 HydrophobicContact CG2-CG 4.23Å; R405-E407 IonicContact CZ-OE1 2.72Å; R405-E407 IonicContact NE-OE1 3.17Å; R405-E407 PolarHBondContact NE-OE1 3.19Å; R405-E407 IonicContact NH2-OE1 3.71Å; R405-E407 PolarHBondContact NH2-OE1 3.47Å; E407-W414 HydrophobicContact CB-CE3 3.97Å; E407-W414 HydrophobicContact CB-CZ3 4.49Å; E407-W414 WeakPolarHBondContact O-CZ3 3.45Å; E407-G415 CarbonylContact C-O 3.46Å; E407-G415 VanDerWaalsContact CA-O 3.25Å; E407-G415 WeakPolarHBondContact CA-O 3.4Å; E407-T416 HydrophobicContact CG-CG2 4.05Å |
| 408 | V | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 146.1 | 179 | -62.8 | 0 | 0 | 0 | 0 | 111 | I393 G415 V417 W456 M457 I469 F470 W477 | I393-V408 HydrophobicContact CD1-CG1 4.33Å; I393-V408 HydrophobicContact CG1-CG1 4.28Å; V408-G415 PolarHBondContact N-O 3.48Å; V408-G415 PolarHBondContact O-N 2.84Å; V408-V417 HydrophobicContact CG1-CG2 4.14Å; V408-V417 HydrophobicContact CG2-CG2 4.49Å; V408-W456 HydrophobicContact CG2-CB 3.63Å; V408-W456 HydrophobicContact CG2-CG 4.14Å; V408-M457 HydrophobicContact CG1-SD 4.04Å; V408-M457 HydrophobicContact CG2-CG 4.21Å; V408-M457 HydrophobicContact CG2-SD 4.09Å; V408-I469 HydrophobicContact CG1-CG2 4.32Å; V408-F470 HydrophobicContact CB-CE1 3.87Å; V408-F470 HydrophobicContact CB-CZ 4.19Å; V408-F470 HydrophobicContact CG1-CE1 3.87Å; V408-F470 HydrophobicContact CG1-CZ 4.15Å; V408-W477 HydrophobicContact CG2-CZ3 4.34Å |
| 409 | Y | 94.7 | Very high | 95.8 | Very high | 52 Ų | 52 | 47 Ų | 47 | 20% | 0.204 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 110.6 | 178.4 | -166.7 | -107.3 | 0 | 0 | 0 | 110.3 | M392 R412 W414 | M392-Y409 HydrophobicContact CE-CD1 3.38Å; M392-Y409 HydrophobicContact CE-CE1 3.73Å; M392-Y409 HydrophobicContact CE-CG 3.88Å; M392-Y409 PolarHBondContact O-N 3.48Å; Y409-R412 VanDerWaalsContact CE2-C 3.41Å; Y409-R412 VanDerWaalsContact CZ-CA 3.42Å; Y409-R412 VanDerWaalsContact OH-C 3.25Å; Y409-R412 WeakPolarHBondContact OH-CA 3.29Å; Y409-R412 PolarHBondContact OH-O 2.84Å; Y409-R412 VanDerWaalsContact OH-O 3.07Å; Y409-W414 AromaticContact CD2-CD1 3.79Å; Y409-W414 AromaticContact CD2-CD2 3.78Å; Y409-W414 HydrophobicContact CD2-CD2 3.78Å; Y409-W414 AromaticContact CD2-CE2 3.65Å; Y409-W414 HydrophobicContact CD2-CE3 4.42Å; Y409-W414 AromaticContact CD2-CG 3.89Å; Y409-W414 HydrophobicContact CD2-CG 3.89Å; Y409-W414 HydrophobicContact CD2-CZ2 4.21Å; Y409-W414 AromaticContact CD2-NE1 3.63Å; Y409-W414 AromaticContact CE2-NE1 3.98Å; Y409-W414 HydrophobicContact CG-CD2 4.45Å; Y409-W414 HydrophobicContact CG-CZ2 4.43Å |
| 410 | H | 93.3 | Very high | 96 | Very high | 51 Ų | 51 | 43.6 Ų | 43.6 | 24% | 0.236 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 144.4 | 179.2 | 179.8 | -92.8 | 0 | 0 | 0 | 109.8 | R412 R413 W456 W477 | H410-R412 VanDerWaalsContact C-N 3.25Å; H410-R412 PolarHBondContact O-N 2.89Å; H410-R413 PolarHBondContact N-O 3.3Å; H410-R413 VanDerWaalsContact N-O 3.08Å; H410-R413 PolarHBondContact O-N 3.04Å; H410-W456 HydrophobicContact CB-CD2 4.17Å; H410-W456 HydrophobicContact CB-CG 4.31Å; H410-W456 AromaticContact ND1-CE3 3.82Å; H410-W456 AromaticContact ND1-CH2 3.93Å; H410-W456 AromaticContact ND1-CZ3 3.64Å; H410-W456 WeakPolarHBondContact O-CZ2 3.38Å; H410-W477 HydrophobicContact CB-CE3 4.02Å; H410-W477 HydrophobicContact CB-CH2 4.11Å; H410-W477 HydrophobicContact CB-CZ3 3.7Å; H410-W477 AromaticContact CD2-CD2 3.61Å; H410-W477 AromaticContact CD2-CE2 3.52Å; H410-W477 AromaticContact CD2-CE3 3.8Å; H410-W477 AromaticContact CD2-CH2 3.79Å; H410-W477 AromaticContact CD2-CZ2 3.63Å; H410-W477 AromaticContact CD2-CZ3 3.9Å; H410-W477 AromaticContact CE1-CD2 3.86Å; H410-W477 AromaticContact CE1-CG 3.75Å; H410-W477 AromaticContact CG-CD2 3.86Å; H410-W477 AromaticContact CG-CE3 3.63Å; H410-W477 AromaticContact CG-CZ3 3.74Å; H410-W477 AromaticContact ND1-CE3 3.92Å; H410-W477 AromaticContact NE2-CD1 3.81Å; H410-W477 AromaticContact NE2-CD2 3.64Å; H410-W477 AromaticContact NE2-CE2 3.66Å; H410-W477 AromaticContact NE2-CG 3.74Å; H410-W477 AromaticContact NE2-NE1 3.76Å |
| 411 | D | 90.6 | Very high | 96.1 | Very high | 102 Ų | 102 | 44.8 Ų | 44.8 | 55% | 0.545 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | 47.3 | -176.7 | -169.1 | 26.2 | 0 | 0 | 0 | 113.9 | R413 W456 | D411-R413 PolarHBondContact O-N 3.28Å; D411-R413 VanDerWaalsContact O-N 3.13Å; D411-W456 HydrophobicContact CB-CH2 4.17Å |
| 412 | R | 89.5 | Confident | 96.3 | Very high | 194 Ų | 194 | 39.6 Ų | 39.6 | 73% | 0.732 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 18 | 179.9 | -61.7 | 179.9 | -73.6 | -164.7 | -4.6 | 115.5 | Y409 H410 | Y409-R412 VanDerWaalsContact CE2-C 3.41Å; Y409-R412 VanDerWaalsContact CZ-CA 3.42Å; Y409-R412 VanDerWaalsContact OH-C 3.25Å; Y409-R412 WeakPolarHBondContact OH-CA 3.29Å; Y409-R412 PolarHBondContact OH-O 2.84Å; Y409-R412 VanDerWaalsContact OH-O 3.07Å; H410-R412 VanDerWaalsContact C-N 3.25Å; H410-R412 PolarHBondContact O-N 2.89Å |
| 413 | R | 92.9 | Very high | 96.4 | Very high | 166 Ų | 166 | 41.3 Ų | 41.3 | 63% | 0.626 | 19% | 0.193 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 145.3 | 179.1 | -63 | 178.7 | -177 | -176.8 | 0.8 | 111.6 | H410 D411 W456 | H410-R413 PolarHBondContact N-O 3.3Å; H410-R413 VanDerWaalsContact N-O 3.08Å; H410-R413 PolarHBondContact O-N 3.04Å; D411-R413 PolarHBondContact O-N 3.28Å; D411-R413 VanDerWaalsContact O-N 3.13Å; R413-W456 HydrophobicContact CB-CZ2 4.22Å; R413-W456 PolarHBondContact O-NE1 3.44Å; R413-W456 VanDerWaalsContact O-NE1 3.11Å |
| 414 | W | 96.2 | Very high | 96.4 | Very high | 78 Ų | 78 | 45.4 Ų | 45.4 | 30% | 0.295 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 145.6 | 168.3 | -70 | 100.6 | 0 | 0 | 0 | 110.1 | M392 R394 E407 Y409 | M392-W414 HydrophobicContact CB-CH2 3.84Å; M392-W414 HydrophobicContact CB-CZ2 4.41Å; R394-W414 HydrophobicContact CB-CH2 4.01Å; R394-W414 HydrophobicContact CB-CZ3 4.12Å; R394-W414 HydrophobicContact CG-CE3 3.95Å; R394-W414 HydrophobicContact CG-CH2 3.78Å; R394-W414 HydrophobicContact CG-CZ2 4.4Å; R394-W414 HydrophobicContact CG-CZ3 3.54Å; E407-W414 HydrophobicContact CB-CE3 3.97Å; E407-W414 HydrophobicContact CB-CZ3 4.49Å; E407-W414 WeakPolarHBondContact O-CZ3 3.45Å; Y409-W414 AromaticContact CD2-CD1 3.79Å; Y409-W414 AromaticContact CD2-CD2 3.78Å; Y409-W414 HydrophobicContact CD2-CD2 3.78Å; Y409-W414 AromaticContact CD2-CE2 3.65Å; Y409-W414 HydrophobicContact CD2-CE3 4.42Å; Y409-W414 AromaticContact CD2-CG 3.89Å; Y409-W414 HydrophobicContact CD2-CG 3.89Å; Y409-W414 HydrophobicContact CD2-CZ2 4.21Å; Y409-W414 AromaticContact CD2-NE1 3.63Å; Y409-W414 AromaticContact CE2-NE1 3.98Å; Y409-W414 HydrophobicContact CG-CD2 4.45Å; Y409-W414 HydrophobicContact CG-CZ2 4.43Å |
| 415 | G | 97.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 166.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | E407 V408 R454 W456 | E407-G415 CarbonylContact C-O 3.46Å; E407-G415 VanDerWaalsContact CA-O 3.25Å; E407-G415 WeakPolarHBondContact CA-O 3.4Å; V408-G415 PolarHBondContact N-O 3.48Å; V408-G415 PolarHBondContact O-N 2.84Å; G415-R454 CarbonylContact C-O 3.59Å; G415-R454 WeakPolarHBondContact CA-O 3.39Å; G415-W456 VanDerWaalsContact N-CD1 3.28Å |
| 416 | T | 98.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 177.3 | -172.1 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | R405 E407 R454 I455 W456 H484 D487 | R405-T416 HydrophobicContact CG-CG2 4.45Å; E407-T416 HydrophobicContact CG-CG2 4.05Å; T416-R454 PolarHBondContact N-O 3.41Å; T416-I455 CarbonylContact O-C 3.58Å; T416-I455 WeakPolarHBondContact OG1-CG1 3.43Å; T416-W456 PolarHBondContact O-N 3.23Å; T416-H484 PolarHBondContact OG1-CE1 2.82Å; T416-H484 PolarHBondContact OG1-ND1 2.88Å; T416-D487 WeakPolarHBondContact CB-OD1 3.47Å; T416-D487 PolarHBondContact OG1-OD1 3.42Å |
| 417 | V | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 134.5 | 175.6 | -179 | 0 | 0 | 0 | 0 | 107.4 | V406 V408 W422 M457 V460 D487 A488 | V406-V417 HydrophobicContact CB-CG2 4.38Å; V406-V417 HydrophobicContact CG1-CG2 3.92Å; V408-V417 HydrophobicContact CG1-CG2 4.14Å; V408-V417 HydrophobicContact CG2-CG2 4.49Å; V417-W422 HydrophobicContact CG1-CE3 4.07Å; V417-W422 HydrophobicContact CG1-CH2 4.46Å; V417-W422 HydrophobicContact CG1-CZ3 3.76Å; V417-M457 WeakPolarHBondContact CA-O 3.32Å; V417-M457 HydrophobicContact CG1-CB 4.08Å; V417-M457 HydrophobicContact CG2-CB 4.22Å; V417-M457 HydrophobicContact CG2-SD 4.47Å; V417-V460 HydrophobicContact CG1-CG2 3.73Å; V417-D487 CarbonylContact O-C 3.53Å; V417-D487 WeakPolarHBondContact O-CA 3.5Å; V417-A488 HydrophobicContact CB-CB 4.29Å; V417-A488 HydrophobicContact CG1-CB 4.28Å; V417-A488 WeakPolarHBondContact O-CB 3.5Å; V417-A488 PolarHBondContact O-N 2.96Å |
| 418 | C | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -73.6 | 151.8 | 173.8 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | D420 I455 M457 D458 C482 E486 | C418-D420 PolarHBondContact SG-N 2.66Å; C418-D420 VanDerWaalsContact SG-N 3.39Å; C418-I455 HydrophobicContact CB-CG2 4.13Å; C418-M457 PolarHBondContact N-O 2.92Å; C418-D458 HydrophobicContact CB-CB 4.22Å; C418-D458 WeakPolarHBondContact CB-OD1 3.36Å; C418-C482 HydrophobicContact CB-CB 3.66Å; C418-C482 WeakPolarHBondContact CB-SG 3.4Å; C418-C482 WeakPolarHBondContact SG-CB 3.31Å; C418-C482 CovalentContact SG-SG 2Å; C418-C482 PolarHBondContact SG-SG 3.4Å; C418-E486 CarbonylContact C-O 3.6Å; C418-E486 WeakPolarHBondContact CA-O 3.45Å |
| 419 | D | 97.8 | Very high | 96.4 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 6% | 0.064 | 24% | 0.239 | C | C | . | . | trans | -86.5 | -3.1 | 178.3 | 73.5 | 30.9 | 0 | 0 | 0 | 115.5 | G421 W422 R444 T445 E486 A488 | D419-G421 PolarHBondContact O-N 3.32Å; D419-W422 HydrophobicContact CB-CB 4.2Å; D419-W422 WeakPolarHBondContact O-CB 3.41Å; D419-W422 PolarHBondContact O-N 2.93Å; D419-R444 HydrophobicContact CB-CB 3.93Å; D419-R444 HydrophobicContact CB-CG 4Å; D419-R444 WeakPolarHBondContact OD2-CA 3.42Å; D419-R444 WeakPolarHBondContact OD2-CB 3.39Å; D419-T445 PolarHBondContact OD2-N 3Å; D419-E486 WeakPolarHBondContact CB-O 3.43Å; D419-E486 VanDerWaalsContact CG-O 3.26Å; D419-E486 PolarHBondContact N-O 2.95Å; D419-E486 VanDerWaalsContact OD2-CA 3.31Å; D419-E486 WeakPolarHBondContact OD2-CA 3.45Å; D419-A488 HydrophobicContact CB-CB 4.17Å | ||
| 420 | D | 97.6 | Very high | 96.5 | Very high | 50 Ų | 50 | 49 Ų | 49 | 27% | 0.267 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 121.4 | 170.5 | -85.7 | -12.7 | 0 | 0 | 0 | 109.2 | C418 W422 D458 D459 N481 | C418-D420 PolarHBondContact SG-N 2.66Å; C418-D420 VanDerWaalsContact SG-N 3.39Å; D420-W422 PolarHBondContact O-N 3.43Å; D420-D458 WeakPolarHBondContact CB-OD1 3.49Å; D420-D459 WeakPolarHBondContact O-CA 3.47Å; D420-N481 PolarHBondContact OD2-ND2 3.25Å; D420-N481 VanDerWaalsContact OD2-ND2 3.15Å |
| 421 | G | 94.7 | Very high | 96.7 | Very high | 49 Ų | 49 | 46.6 Ų | 46.6 | 51% | 0.505 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | -8.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | D419 D423 | D419-G421 PolarHBondContact O-N 3.32Å; G421-D423 PolarHBondContact O-N 2.93Å |
| 422 | W | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -63.2 | 116.3 | -172.2 | -168.9 | -111 | 0 | 0 | 0 | 113.1 | V406 V417 D419 D420 D426 V430 R444 V460 I469 A488 S489 V490 | V406-W422 HydrophobicContact CG2-CH2 4.38Å; V406-W422 HydrophobicContact CG2-CZ2 3.98Å; V417-W422 HydrophobicContact CG1-CE3 4.07Å; V417-W422 HydrophobicContact CG1-CH2 4.46Å; V417-W422 HydrophobicContact CG1-CZ3 3.76Å; D419-W422 HydrophobicContact CB-CB 4.2Å; D419-W422 WeakPolarHBondContact O-CB 3.41Å; D419-W422 PolarHBondContact O-N 2.93Å; D420-W422 PolarHBondContact O-N 3.43Å; W422-D426 HydrophobicContact CD2-CB 4.11Å; W422-D426 HydrophobicContact CE3-CB 3.64Å; W422-D426 HydrophobicContact CH2-CB 3.89Å; W422-D426 HydrophobicContact CZ2-CB 4.33Å; W422-D426 HydrophobicContact CZ3-CB 3.53Å; W422-V430 HydrophobicContact CH2-CG2 3.85Å; W422-V430 HydrophobicContact CZ2-CG2 4.41Å; W422-R444 PolarHBondContact O-NE 3.22Å; W422-R444 VanDerWaalsContact O-NE 3.11Å; W422-R444 PolarHBondContact O-NH2 3.38Å; W422-V460 HydrophobicContact CE3-CB 4.17Å; W422-V460 HydrophobicContact CZ3-CB 4.1Å; W422-V460 HydrophobicContact CZ3-CG1 4.16Å; W422-V460 HydrophobicContact CZ3-CG2 4.32Å; W422-I469 HydrophobicContact CH2-CD1 3.77Å; W422-I469 HydrophobicContact CZ3-CD1 3.8Å; W422-A488 HydrophobicContact CB-CB 4.39Å; W422-A488 HydrophobicContact CD2-CB 3.56Å; W422-A488 HydrophobicContact CE3-CB 4.05Å; W422-A488 HydrophobicContact CG-CB 3.7Å; W422-A488 HydrophobicContact CZ2-CB 4.25Å; W422-S489 PolarHBondContact NE1-O 3.23Å; W422-V490 HydrophobicContact CZ2-CG1 3.61Å | ||
| 423 | D | 97.6 | Very high | 97.2 | Very high | 54 Ų | 54 | 38.7 Ų | 38.7 | 29% | 0.289 | 18% | 0.183 | S | C | . | . | trans | -131.5 | 179.9 | -176.6 | 83.2 | 17.6 | 0 | 0 | 0 | 113.6 | G421 K425 D426 G427 | G421-D423 PolarHBondContact O-N 2.93Å; D423-K425 VanDerWaalsContact C-N 3.26Å; D423-K425 PolarHBondContact O-N 3.33Å; D423-K425 WeakPolarHBondContact OD1-CA 3.48Å; D423-K425 WeakPolarHBondContact OD1-CB 3.18Å; D423-K425 PolarHBondContact OD1-N 3.46Å; D423-D426 PolarHBondContact N-OD2 2.86Å; D423-D426 PolarHBondContact O-N 2.88Å; D423-D426 PolarHBondContact OD1-N 3.03Å; D423-G427 PolarHBondContact O-N 3.48Å; D423-G427 VanDerWaalsContact O-N 3.11Å | ||
| 424 | K | 97.9 | Very high | 97.3 | Very high | 118 Ų | 118 | 33.4 Ų | 33.4 | 51% | 0.513 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65.9 | -24.3 | -178.1 | -72.4 | -162 | 177.6 | -152.7 | 0 | 113.3 | D428 V439 E440 V442 | K424-D428 VanDerWaalsContact O-CB 3.28Å; K424-D428 WeakPolarHBondContact O-CB 3.19Å; K424-D428 PolarHBondContact O-N 3.47Å; K424-V439 HydrophobicContact CB-CG1 4.07Å; K424-V439 HydrophobicContact CG-CG1 4.42Å; K424-V439 VanDerWaalsContact O-CG1 3.23Å; K424-V439 WeakPolarHBondContact O-CG1 3.4Å; K424-E440 PolarHBondContact NZ-O 3.26Å; K424-V442 HydrophobicContact CG-CG2 4.22Å |
| 425 | K | 98.4 | Very high | 97.2 | Very high | 110 Ų | 110 | 31.8 Ų | 31.8 | 48% | 0.478 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -71.1 | -39.4 | 176.2 | -59.8 | 171.9 | -175.7 | 165.7 | 0 | 110.4 | D423 D428 V429 | D423-K425 VanDerWaalsContact C-N 3.26Å; D423-K425 PolarHBondContact O-N 3.33Å; D423-K425 WeakPolarHBondContact OD1-CA 3.48Å; D423-K425 WeakPolarHBondContact OD1-CB 3.18Å; D423-K425 PolarHBondContact OD1-N 3.46Å; K425-D428 PolarHBondContact O-N 3.38Å; K425-V429 WeakPolarHBondContact O-CG2 3.33Å; K425-V429 PolarHBondContact O-N 2.9Å; K425-V429 VanDerWaalsContact O-N 3.14Å |
| 426 | D | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.1 | -48.4 | 175.3 | -48.2 | -48.2 | 0 | 0 | 0 | 110.6 | W422 D423 D428 V429 V430 V460 C462 | W422-D426 HydrophobicContact CD2-CB 4.11Å; W422-D426 HydrophobicContact CE3-CB 3.64Å; W422-D426 HydrophobicContact CH2-CB 3.89Å; W422-D426 HydrophobicContact CZ2-CB 4.33Å; W422-D426 HydrophobicContact CZ3-CB 3.53Å; D423-D426 PolarHBondContact N-OD2 2.86Å; D423-D426 PolarHBondContact O-N 2.88Å; D423-D426 PolarHBondContact OD1-N 3.03Å; D426-D428 VanDerWaalsContact C-N 3.28Å; D426-D428 PolarHBondContact O-N 3.09Å; D426-V429 PolarHBondContact O-N 3.26Å; D426-V430 PolarHBondContact O-N 3.39Å; D426-V460 HydrophobicContact CB-CG1 4.26Å; D426-C462 WeakPolarHBondContact OD1-CB 3.48Å; D426-C462 PolarHBondContact OD1-N 2.89Å; D426-C462 PolarHBondContact OD1-SG 3.38Å; D426-C462 VanDerWaalsContact OD1-SG 3.34Å |
| 427 | G | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.3 | -37.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | D423 V430 C431 | D423-G427 PolarHBondContact O-N 3.48Å; D423-G427 VanDerWaalsContact O-N 3.11Å; G427-V430 PolarHBondContact O-N 2.94Å; G427-C431 WeakPolarHBondContact O-CB 3.25Å; G427-C431 PolarHBondContact O-N 3.2Å; G427-C431 PolarHBondContact O-SG 3.38Å; G427-C431 VanDerWaalsContact O-SG 3.34Å |
| 428 | D | 98 | Very high | 96.8 | Very high | 43 Ų | 43 | 41.8 Ų | 41.8 | 23% | 0.23 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.1 | -43.9 | 179.1 | -166.7 | 67.8 | 0 | 0 | 0 | 111.8 | K424 K425 D426 V430 C431 R432 G438 V439 | K424-D428 VanDerWaalsContact O-CB 3.28Å; K424-D428 WeakPolarHBondContact O-CB 3.19Å; K424-D428 PolarHBondContact O-N 3.47Å; K425-D428 PolarHBondContact O-N 3.38Å; D426-D428 VanDerWaalsContact C-N 3.28Å; D426-D428 PolarHBondContact O-N 3.09Å; D428-V430 VanDerWaalsContact C-N 3.34Å; D428-V430 PolarHBondContact O-N 2.71Å; D428-C431 PolarHBondContact O-N 3.3Å; D428-R432 WeakPolarHBondContact O-CB 3.32Å; D428-R432 WeakPolarHBondContact O-CG 3.4Å; D428-R432 PolarHBondContact O-N 2.86Å; D428-R432 IonicContact OD2-CZ 2.8Å; D428-R432 IonicContact OD2-NE 3.1Å; D428-R432 PolarHBondContact OD2-NE 3.23Å; D428-R432 IonicContact OD2-NH2 3.34Å; D428-G438 WeakPolarHBondContact OD1-CA 3.43Å; D428-V439 HydrophobicContact CB-CB 4.45Å; D428-V439 HydrophobicContact CB-CG1 4.04Å; D428-V439 PolarHBondContact OD1-N 2.97Å; D428-V439 VanDerWaalsContact OD1-N 3.14Å |
| 429 | V | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 174.1 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | K425 D426 M433 C462 E466 I469 | K425-V429 WeakPolarHBondContact O-CG2 3.33Å; K425-V429 PolarHBondContact O-N 2.9Å; K425-V429 VanDerWaalsContact O-N 3.14Å; D426-V429 PolarHBondContact O-N 3.26Å; V429-M433 WeakPolarHBondContact O-CB 3.34Å; V429-M433 PolarHBondContact O-N 3.04Å; V429-C462 HydrophobicContact CG2-CB 3.95Å; V429-E466 HydrophobicContact CG1-CB 4.13Å; V429-E466 HydrophobicContact CG2-CB 4.06Å; V429-I469 HydrophobicContact CG1-CB 4.38Å |
| 430 | V | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.4 | -49.3 | 176.7 | 168.4 | 0 | 0 | 0 | 0 | 111.8 | I393 L395 V406 W422 D426 G427 D428 M433 L434 I469 V490 | I393-V430 HydrophobicContact CD1-CB 4.2Å; I393-V430 HydrophobicContact CD1-CG1 3.7Å; I393-V430 HydrophobicContact CD1-CG2 3.76Å; L395-V430 HydrophobicContact CD2-CG1 4.3Å; V406-V430 HydrophobicContact CG1-CG1 4.42Å; V406-V430 HydrophobicContact CG1-CG2 4.34Å; V406-V430 HydrophobicContact CG2-CG1 4.29Å; W422-V430 HydrophobicContact CH2-CG2 3.85Å; W422-V430 HydrophobicContact CZ2-CG2 4.41Å; D426-V430 PolarHBondContact O-N 3.39Å; G427-V430 PolarHBondContact O-N 2.94Å; D428-V430 VanDerWaalsContact C-N 3.34Å; D428-V430 PolarHBondContact O-N 2.71Å; V430-M433 PolarHBondContact O-N 3.45Å; V430-L434 HydrophobicContact CG1-CD1 3.96Å; V430-L434 WeakPolarHBondContact O-CG 3.42Å; V430-L434 PolarHBondContact O-N 3.26Å; V430-I469 HydrophobicContact CG2-CB 4.25Å; V430-I469 HydrophobicContact CG2-CD1 3.54Å; V430-I469 HydrophobicContact CG2-CG1 4.37Å; V430-V490 HydrophobicContact CG1-CG2 4.05Å |
| 431 | C | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | -178.2 | -72.7 | 0 | 0 | 0 | 0 | 111.8 | G427 D428 L434 G435 F436 C492 | G427-C431 WeakPolarHBondContact O-CB 3.25Å; G427-C431 PolarHBondContact O-N 3.2Å; G427-C431 PolarHBondContact O-SG 3.38Å; G427-C431 VanDerWaalsContact O-SG 3.34Å; D428-C431 PolarHBondContact O-N 3.3Å; C431-L434 PolarHBondContact O-N 3.08Å; C431-G435 PolarHBondContact O-N 3.39Å; C431-F436 HydrophobicContact CB-CB 4.26Å; C431-F436 WeakPolarHBondContact O-CB 3.44Å; C431-F436 PolarHBondContact O-N 3.5Å; C431-C492 WeakPolarHBondContact CA-SG 3.33Å; C431-C492 HydrophobicContact CB-CB 3.71Å; C431-C492 WeakPolarHBondContact CB-SG 3.42Å; C431-C492 WeakPolarHBondContact SG-CA 3.42Å; C431-C492 WeakPolarHBondContact SG-CB 3.24Å; C431-C492 CovalentContact SG-SG 2.04Å; C431-C492 PolarHBondContact SG-SG 3.16Å |
| 432 | R | 95.7 | Very high | 96.9 | Very high | 81 Ų | 81 | 47.9 Ų | 47.9 | 31% | 0.306 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.5 | -39.4 | 175.5 | -71.1 | -170.5 | -63.2 | 95.8 | -0.1 | 112.4 | D428 L434 G435 F436 G464 E466 | D428-R432 WeakPolarHBondContact O-CB 3.32Å; D428-R432 WeakPolarHBondContact O-CG 3.4Å; D428-R432 PolarHBondContact O-N 2.86Å; D428-R432 IonicContact OD2-CZ 2.8Å; D428-R432 IonicContact OD2-NE 3.1Å; D428-R432 PolarHBondContact OD2-NE 3.23Å; D428-R432 IonicContact OD2-NH2 3.34Å; R432-L434 PolarHBondContact O-N 2.94Å; R432-G435 WeakPolarHBondContact O-CA 3.48Å; R432-G435 PolarHBondContact O-N 2.96Å; R432-F436 WeakPolarHBondContact CA-O 3.25Å; R432-G464 PolarHBondContact NH2-O 3.39Å; R432-E466 PolarHBondContact NH1-O 3.43Å; R432-E466 VanDerWaalsContact NH1-O 3.12Å; R432-E466 PolarHBondContact NH2-O 3.44Å |
| 433 | M | 95.3 | Very high | 96.9 | Very high | 49 Ų | 49 | 50.7 Ų | 50.7 | 24% | 0.241 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.2 | -33.4 | 175.6 | -178.5 | -178.9 | 170.4 | 0 | 0 | 112 | I393 V429 V430 G435 T468 I469 F470 | I393-M433 HydrophobicContact CB-CE 4.08Å; I393-M433 HydrophobicContact CB-SD 4.36Å; I393-M433 HydrophobicContact CD1-SD 4.42Å; I393-M433 HydrophobicContact CG2-CE 3.5Å; I393-M433 HydrophobicContact CG2-CG 4.04Å; I393-M433 HydrophobicContact CG2-SD 3.72Å; V429-M433 WeakPolarHBondContact O-CB 3.34Å; V429-M433 PolarHBondContact O-N 3.04Å; V430-M433 PolarHBondContact O-N 3.45Å; M433-G435 VanDerWaalsContact C-N 3.27Å; M433-T468 HydrophobicContact CE-CG2 4.2Å; M433-T468 HydrophobicContact CG-CG2 4.31Å; M433-T468 HydrophobicContact SD-CG2 4.08Å; M433-I469 HydrophobicContact SD-CG2 4.22Å; M433-F470 HydrophobicContact CE-CD2 4.02Å; M433-F470 HydrophobicContact CE-CE2 3.39Å; M433-F470 HydrophobicContact CE-CZ 4.28Å; M433-F470 HydrophobicContact SD-CE2 4.26Å |
| 434 | L | 94.8 | Very high | 96.7 | Very high | 55 Ų | 55 | 54.6 Ų | 54.6 | 29% | 0.288 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -1.4 | 173.8 | -73 | 166.5 | 0 | 0 | 0 | 113.8 | I393 L395 V430 C431 R432 F436 | I393-L434 HydrophobicContact CG2-CD2 3.78Å; I393-L434 HydrophobicContact CG2-CG 4.01Å; L395-L434 HydrophobicContact CD1-CD1 3.81Å; L395-L434 HydrophobicContact CD2-CD1 3.97Å; L395-L434 HydrophobicContact CG-CD1 3.6Å; V430-L434 HydrophobicContact CG1-CD1 3.96Å; V430-L434 WeakPolarHBondContact O-CG 3.42Å; V430-L434 PolarHBondContact O-N 3.26Å; C431-L434 PolarHBondContact O-N 3.08Å; R432-L434 PolarHBondContact O-N 2.94Å; L434-F436 HydrophobicContact CB-CD2 3.76Å; L434-F436 HydrophobicContact CB-CE2 3.81Å |
| 435 | G | 94.6 | Very high | 96.6 | Very high | 44 Ų | 44 | 54.1 Ų | 54.1 | 45% | 0.454 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | 0.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | C431 R432 M433 H495 | C431-G435 PolarHBondContact O-N 3.39Å; R432-G435 WeakPolarHBondContact O-CA 3.48Å; R432-G435 PolarHBondContact O-N 2.96Å; M433-G435 VanDerWaalsContact C-N 3.27Å; G435-H495 PolarHBondContact O-CE1 2.81Å; G435-H495 PolarHBondContact O-NE2 3.42Å |
| 436 | F | 96.1 | Very high | 96.5 | Very high | 31 Ų | 31 | 49.4 Ų | 49.4 | 14% | 0.136 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -79.3 | 164.6 | 178.3 | -59.5 | -73.3 | 0 | 0 | 0 | 112.5 | P401 H402 C431 R432 L434 G438 C492 | P401-F436 WeakPolarHBondContact O-CE2 3.42Å; P401-F436 VanDerWaalsContact O-CZ 3.3Å; P401-F436 WeakPolarHBondContact O-CZ 3.45Å; H402-F436 HydrophobicContact CB-CD1 4.29Å; H402-F436 HydrophobicContact CB-CE1 3.73Å; H402-F436 HydrophobicContact CB-CE2 4.45Å; H402-F436 HydrophobicContact CB-CZ 3.83Å; C431-F436 HydrophobicContact CB-CB 4.26Å; C431-F436 WeakPolarHBondContact O-CB 3.44Å; C431-F436 PolarHBondContact O-N 3.5Å; R432-F436 WeakPolarHBondContact CA-O 3.25Å; L434-F436 HydrophobicContact CB-CD2 3.76Å; L434-F436 HydrophobicContact CB-CE2 3.81Å; F436-G438 PolarHBondContact O-N 3.33Å; F436-C492 HydrophobicContact CB-CB 3.77Å; F436-C492 HydrophobicContact CD1-CB 4.35Å; F436-C492 HydrophobicContact CD2-CB 3.73Å; F436-C492 HydrophobicContact CE2-CB 4.45Å; F436-C492 HydrophobicContact CG-CB 3.68Å |
| 437 | R | 93.5 | Very high | 96.4 | Very high | 178 Ų | 178 | 57.1 Ų | 57.1 | 67% | 0.672 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -64.4 | -25.4 | -179 | -85 | -161.2 | -99.9 | -160 | -2 | 114.1 | N493 H495 | R437-N493 HydrophobicContact CB-CB 4.47Å; R437-H495 VanDerWaalsContact CZ-OXT 3.3Å; R437-H495 PolarHBondContact NE-OXT 2.85Å; R437-H495 PolarHBondContact NH2-OXT 3.45Å |
| 438 | G | 94.9 | Very high | 96.4 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | trans | 154.1 | -177.1 | -177 | 0 | 0 | 0 | 0 | 0 | 110.9 | D428 F436 N493 | D428-G438 WeakPolarHBondContact OD1-CA 3.43Å; F436-G438 PolarHBondContact O-N 3.33Å; G438-N493 PolarHBondContact O-N 3.23Å | ||
| 439 | V | 97.4 | Very high | 96.4 | Very high | 19 Ų | 19 | 57.9 Ų | 57.9 | 12% | 0.115 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 139 | -179.1 | 74.2 | 0 | 0 | 0 | 0 | 112.1 | K424 D428 E441 V442 T491 N493 | K424-V439 HydrophobicContact CB-CG1 4.07Å; K424-V439 HydrophobicContact CG-CG1 4.42Å; K424-V439 VanDerWaalsContact O-CG1 3.23Å; K424-V439 WeakPolarHBondContact O-CG1 3.4Å; D428-V439 HydrophobicContact CB-CB 4.45Å; D428-V439 HydrophobicContact CB-CG1 4.04Å; D428-V439 PolarHBondContact OD1-N 2.97Å; D428-V439 VanDerWaalsContact OD1-N 3.14Å; V439-E441 WeakPolarHBondContact CG2-O 3.36Å; V439-V442 HydrophobicContact CG2-CG1 3.72Å; V439-T491 WeakPolarHBondContact CG2-O 3.35Å; V439-N493 PolarHBondContact O-ND2 3.37Å; V439-N493 VanDerWaalsContact O-ND2 3.12Å |
| 440 | E | 97 | Very high | 96.4 | Very high | 106 Ų | 106 | 63.8 Ų | 63.8 | 50% | 0.495 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -57.2 | 166.7 | -175.7 | 176.2 | 176 | 0 | 0 | 108.6 | K424 T491 | K424-E440 PolarHBondContact NZ-O 3.26Å; E440-T491 HydrophobicContact CB-CG2 4.33Å; E440-T491 WeakPolarHBondContact CB-O 3.37Å; E440-T491 PolarHBondContact N-O 3.48Å |
| 441 | E | 97.7 | Very high | 96.3 | Very high | 89 Ų | 89 | 64 Ų | 64 | 42% | 0.416 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 151 | -178.2 | -166.8 | 153 | -126.1 | 0 | 0 | 112.1 | V439 Y443 T491 | V439-E441 WeakPolarHBondContact CG2-O 3.36Å; E441-Y443 HydrophobicContact CB-CE2 4.39Å; E441-Y443 HydrophobicContact CG-CD1 4.42Å; E441-Y443 HydrophobicContact CG-CE1 3.78Å; E441-Y443 HydrophobicContact CG-CE2 4.35Å; E441-Y443 WeakPolarHBondContact OE2-CE1 3.39Å; E441-Y443 VanDerWaalsContact OE2-CZ 3.25Å; E441-Y443 PolarHBondContact OE2-OH 3.42Å; E441-T491 PolarHBondContact N-O 3.43Å; E441-T491 VanDerWaalsContact N-O 3.14Å; E441-T491 PolarHBondContact O-N 2.77Å |
| 442 | V | 98.1 | Very high | 96.1 | Very high | 26 Ų | 26 | 70.1 Ų | 70.1 | 16% | 0.158 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 144.1 | 171.3 | -61.8 | 0 | 0 | 0 | 0 | 108.6 | K424 V439 S489 V490 | K424-V442 HydrophobicContact CG-CG2 4.22Å; V439-V442 HydrophobicContact CG2-CG1 3.72Å; V442-S489 WeakPolarHBondContact CA-O 3.37Å; V442-V490 HydrophobicContact CG1-CG1 4.15Å |
| 443 | Y | 97.8 | Very high | 96 | Very high | 59 Ų | 59 | 69.4 Ų | 69.4 | 23% | 0.231 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 140.6 | 178.1 | -56 | -76.7 | 0 | 0 | 0 | 110.8 | E441 R447 F448 S489 | E441-Y443 HydrophobicContact CB-CE2 4.39Å; E441-Y443 HydrophobicContact CG-CD1 4.42Å; E441-Y443 HydrophobicContact CG-CE1 3.78Å; E441-Y443 HydrophobicContact CG-CE2 4.35Å; E441-Y443 WeakPolarHBondContact OE2-CE1 3.39Å; E441-Y443 VanDerWaalsContact OE2-CZ 3.25Å; E441-Y443 PolarHBondContact OE2-OH 3.42Å; Y443-R447 HydrophobicContact CD1-CG 4.19Å; Y443-R447 HydrophobicContact CD2-CB 4.4Å; Y443-R447 HydrophobicContact CD2-CG 4.11Å; Y443-R447 HydrophobicContact CG-CB 3.96Å; Y443-R447 HydrophobicContact CG-CG 3.85Å; Y443-F448 AromaticContact CD2-CE2 3.86Å; Y443-F448 HydrophobicContact CD2-CE2 3.86Å; Y443-F448 HydrophobicContact CE2-CE2 4.15Å; Y443-F448 HydrophobicContact CE2-CZ 4.37Å; Y443-S489 PolarHBondContact N-O 2.89Å; Y443-S489 PolarHBondContact O-N 2.87Å; Y443-S489 VanDerWaalsContact O-N 3.09Å |
| 444 | R | 95.1 | Very high | 96 | Very high | 136 Ų | 136 | 73.3 Ų | 73.3 | 51% | 0.513 | 38% | 0.377 | S | S | . | . | trans | -98.9 | 168.9 | 168 | -52.7 | -169.1 | -179 | 164.4 | -3.5 | 108.4 | D419 W422 | D419-R444 HydrophobicContact CB-CB 3.93Å; D419-R444 HydrophobicContact CB-CG 4Å; D419-R444 WeakPolarHBondContact OD2-CA 3.42Å; D419-R444 WeakPolarHBondContact OD2-CB 3.39Å; W422-R444 PolarHBondContact O-NE 3.22Å; W422-R444 VanDerWaalsContact O-NE 3.11Å; W422-R444 PolarHBondContact O-NH2 3.38Å | ||
| 445 | T | 94.4 | Very high | 96.2 | Very high | 108 Ų | 108 | 71.4 Ų | 71.4 | 66% | 0.663 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 66 | 40.8 | 174.3 | 67.5 | 0 | 0 | 0 | 0 | 115.6 | D419 R447 A485 | D419-T445 PolarHBondContact OD2-N 3Å; T445-R447 PolarHBondContact O-N 2.87Å; T445-A485 CarbonylContact C-O 3.59Å; T445-A485 WeakPolarHBondContact CA-O 3.44Å |
| 446 | A | 95.9 | Very high | 96.3 | Very high | 11 Ų | 11 | 69.5 Ų | 69.5 | 9% | 0.091 | 35% | 0.346 | C | S | . | . | trans | 53 | 46.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F448 G449 Q450 H484 A485 D487 | A446-F448 PolarHBondContact O-N 3.22Å; A446-F448 VanDerWaalsContact O-N 3.14Å; A446-G449 CarbonylContact O-C 3.55Å; A446-G449 WeakPolarHBondContact O-CA 3.36Å; A446-G449 PolarHBondContact O-N 3.49Å; A446-Q450 HydrophobicContact CB-CG 3.96Å; A446-H484 WeakPolarHBondContact CB-O 3.29Å; A446-A485 WeakPolarHBondContact CB-O 3.43Å; A446-A485 PolarHBondContact N-O 2.94Å; A446-D487 VanDerWaalsContact CA-O 3.27Å; A446-D487 WeakPolarHBondContact CA-O 3.32Å; A446-D487 HydrophobicContact CB-CB 4.2Å; A446-D487 PolarHBondContact N-O 3.49Å; A446-D487 VanDerWaalsContact N-O 3.15Å | ||
| 447 | R | 96.9 | Very high | 96.4 | Very high | 161 Ų | 161 | 68 Ų | 68 | 61% | 0.608 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -36 | -176.7 | 178.6 | 64.4 | 176.9 | 95.5 | 0.2 | 114.5 | Y443 T445 G449 | Y443-R447 HydrophobicContact CD1-CG 4.19Å; Y443-R447 HydrophobicContact CD2-CB 4.4Å; Y443-R447 HydrophobicContact CD2-CG 4.11Å; Y443-R447 HydrophobicContact CG-CB 3.96Å; Y443-R447 HydrophobicContact CG-CG 3.85Å; T445-R447 PolarHBondContact O-N 2.87Å; R447-G449 VanDerWaalsContact C-N 3.3Å |
| 448 | F | 97.8 | Very high | 96.6 | Very high | 27 Ų | 27 | 59.6 Ų | 59.6 | 12% | 0.118 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 29 | 176.2 | -62.4 | -80.7 | 0 | 0 | 0 | 112.3 | N397 E403 G404 R405 Y443 A446 | N397-F448 HydrophobicContact CB-CB 4.19Å; N397-F448 WeakPolarHBondContact CB-O 3.46Å; N397-F448 PolarHBondContact ND2-O 3.42Å; N397-F448 WeakPolarHBondContact O-CD1 3.42Å; E403-F448 HydrophobicContact CB-CE1 4.29Å; E403-F448 HydrophobicContact CB-CZ 3.85Å; E403-F448 HydrophobicContact CG-CE1 4.25Å; E403-F448 HydrophobicContact CG-CZ 4.29Å; G404-F448 VanDerWaalsContact CA-CD2 3.47Å; R405-F448 HydrophobicContact CB-CB 4.27Å; R405-F448 PolarHBondContact NH1-O 2.91Å; R405-F448 VanDerWaalsContact NH1-O 3.16Å; Y443-F448 AromaticContact CD2-CE2 3.86Å; Y443-F448 HydrophobicContact CD2-CE2 3.86Å; Y443-F448 HydrophobicContact CE2-CE2 4.15Å; Y443-F448 HydrophobicContact CE2-CZ 4.37Å; A446-F448 PolarHBondContact O-N 3.22Å; A446-F448 VanDerWaalsContact O-N 3.14Å |
| 449 | G | 97.3 | Very high | 96.7 | Very high | 32 Ų | 32 | 63 Ų | 63 | 33% | 0.33 | 33% | 0.325 | S | S | . | . | trans | 82.1 | 162.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R405 A446 R447 | R405-G449 WeakPolarHBondContact CD-O 3.49Å; R405-G449 PolarHBondContact NH1-O 3.48Å; A446-G449 CarbonylContact O-C 3.55Å; A446-G449 WeakPolarHBondContact O-CA 3.36Å; A446-G449 PolarHBondContact O-N 3.49Å; R447-G449 VanDerWaalsContact C-N 3.3Å | ||
| 450 | Q | 98.2 | Very high | 96.8 | Very high | 124 Ų | 124 | 62.1 Ų | 62.1 | 58% | 0.579 | 32% | 0.32 | S | S | * | . | trans | -75.8 | 140.3 | 179.5 | -60 | -170.9 | 6.2 | 0 | 0 | 110.6 | A446 H484 | A446-Q450 HydrophobicContact CB-CG 3.96Å; Q450-H484 HydrophobicContact CB-CB 3.94Å; Q450-H484 HydrophobicContact CG-CB 4.45Å; Q450-H484 WeakPolarHBondContact CG-O 3.46Å | ||
| 451 | G | 96.1 | Very high | 96.8 | Very high | 6 Ų | 6 | 59.8 Ų | 59.8 | 6% | 0.062 | 32% | 0.319 | C | S | . | . | trans | -75.4 | -178.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H484 D487 | G451-H484 PolarHBondContact O-CD2 2.89Å; G451-H484 VanDerWaalsContact O-CD2 3.3Å; G451-D487 WeakPolarHBondContact CA-OD2 3.39Å; G451-D487 PolarHBondContact N-OD2 3.42Å | ||
| 452 | T | 93.2 | Very high | 96.8 | Very high | 127 Ų | 127 | 55.9 Ų | 55.9 | 78% | 0.779 | 30% | 0.302 | S | S | * | . | trans | -135.7 | 146.4 | 173.4 | 57.8 | 0 | 0 | 0 | 0 | 109.8 | H484 | T452-H484 WeakPolarHBondContact CA-NE2 3.39Š| ||
| 453 | G | 93 | Very high | 96.7 | Very high | 67 Ų | 67 | 62.6 Ų | 62.6 | 69% | 0.691 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 96.4 | -126.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H484 | G453-H484 PolarHBondContact N-NE2 3.46Å; G453-H484 VanDerWaalsContact N-NE2 3.19Å; G453-H484 PolarHBondContact O-NE2 3.48Å |
| 454 | R | 96.4 | Very high | 96.5 | Very high | 131 Ų | 131 | 60.6 Ų | 60.6 | 49% | 0.494 | 33% | 0.326 | S | S | . | . | trans | -91.4 | 138.1 | -174.4 | -85.4 | -177.2 | 166.9 | -126.9 | -2.8 | 110.9 | G415 T416 W456 | G415-R454 CarbonylContact C-O 3.59Å; G415-R454 WeakPolarHBondContact CA-O 3.39Å; T416-R454 PolarHBondContact N-O 3.41Å; R454-W456 HydrophobicContact CB-CD2 4.31Å; R454-W456 HydrophobicContact CB-CZ2 4.31Å | ||
| 455 | I | 98.1 | Very high | 96.5 | Very high | 15 Ų | 15 | 59.7 Ų | 59.7 | 8% | 0.077 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 117.2 | 160.7 | -55 | 173.8 | 0 | 0 | 0 | 105.8 | T416 C418 G478 T480 C482 | T416-I455 CarbonylContact O-C 3.58Å; T416-I455 WeakPolarHBondContact OG1-CG1 3.43Å; C418-I455 HydrophobicContact CB-CG2 4.13Å; I455-G478 WeakPolarHBondContact O-CA 3.48Å; I455-T480 HydrophobicContact CB-CG2 3.85Å; I455-T480 HydrophobicContact CD1-CG2 4.29Å; I455-T480 HydrophobicContact CG2-CG2 4.07Å; I455-C482 HydrophobicContact CD1-CB 4.12Å; I455-C482 WeakPolarHBondContact CD1-O 3.35Å |
| 456 | W | 97.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.015 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -32.5 | -171.5 | -81.3 | 135.4 | 0 | 0 | 0 | 113.7 | V408 H410 D411 R413 G415 T416 R454 W477 G478 | V408-W456 HydrophobicContact CG2-CB 3.63Å; V408-W456 HydrophobicContact CG2-CG 4.14Å; H410-W456 HydrophobicContact CB-CD2 4.17Å; H410-W456 HydrophobicContact CB-CG 4.31Å; H410-W456 AromaticContact ND1-CE3 3.82Å; H410-W456 AromaticContact ND1-CH2 3.93Å; H410-W456 AromaticContact ND1-CZ3 3.64Å; H410-W456 WeakPolarHBondContact O-CZ2 3.38Å; D411-W456 HydrophobicContact CB-CH2 4.17Å; R413-W456 HydrophobicContact CB-CZ2 4.22Å; R413-W456 PolarHBondContact O-NE1 3.44Å; R413-W456 VanDerWaalsContact O-NE1 3.11Å; G415-W456 VanDerWaalsContact N-CD1 3.28Å; T416-W456 PolarHBondContact O-N 3.23Å; R454-W456 HydrophobicContact CB-CD2 4.31Å; R454-W456 HydrophobicContact CB-CZ2 4.31Å; W456-W477 HydrophobicContact CB-CE3 4.1Å; W456-W477 HydrophobicContact CB-CZ3 4.1Å; W456-W477 HydrophobicContact CE3-CE3 4.5Å; W456-W477 WeakPolarHBondContact O-CA 3.36Å; W456-G478 PolarHBondContact O-N 2.94Å |
| 457 | M | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 143 | -173.6 | -57.5 | -179.1 | 73.8 | 0 | 0 | 109.6 | V408 V417 C418 V460 I469 F470 F474 W477 | V408-M457 HydrophobicContact CG1-SD 4.04Å; V408-M457 HydrophobicContact CG2-CG 4.21Å; V408-M457 HydrophobicContact CG2-SD 4.09Å; V417-M457 WeakPolarHBondContact CA-O 3.32Å; V417-M457 HydrophobicContact CG1-CB 4.08Å; V417-M457 HydrophobicContact CG2-CB 4.22Å; V417-M457 HydrophobicContact CG2-SD 4.47Å; C418-M457 PolarHBondContact N-O 2.92Å; M457-V460 HydrophobicContact CB-CG2 3.92Å; M457-V460 HydrophobicContact CE-CG2 4.26Å; M457-I469 HydrophobicContact CE-CG1 4Å; M457-I469 HydrophobicContact SD-CG1 4.41Å; M457-I469 HydrophobicContact SD-CG2 4.49Å; M457-F470 HydrophobicContact SD-CD1 4.37Å; M457-F470 HydrophobicContact SD-CE1 4.42Å; M457-F474 HydrophobicContact CE-CB 4.31Å; M457-F474 HydrophobicContact CE-CD1 3.5Å; M457-F474 HydrophobicContact CE-CD2 4.2Å; M457-F474 HydrophobicContact CE-CE1 3.76Å; M457-F474 HydrophobicContact CE-CE2 4.4Å; M457-F474 HydrophobicContact CE-CG 3.76Å; M457-F474 HydrophobicContact CE-CZ 4.2Å; M457-F474 HydrophobicContact CG-CD2 4.43Å; M457-W477 HydrophobicContact CG-CE3 4.21Å; M457-W477 HydrophobicContact CG-CH2 4.44Å; M457-W477 HydrophobicContact CG-CZ3 3.75Å; M457-W477 HydrophobicContact SD-CH2 4.3Å; M457-W477 HydrophobicContact SD-CZ3 4.14Å |
| 458 | D | 98.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | trans | -149.4 | 154.1 | -178.8 | -164.2 | 2.4 | 0 | 0 | 0 | 109.3 | C418 D420 V460 F474 S475 T480 N481 | C418-D458 HydrophobicContact CB-CB 4.22Å; C418-D458 WeakPolarHBondContact CB-OD1 3.36Å; D420-D458 WeakPolarHBondContact CB-OD1 3.49Å; D458-V460 PolarHBondContact O-N 2.96Å; D458-F474 WeakPolarHBondContact O-CB 3.47Å; D458-S475 PolarHBondContact O-N 3.07Å; D458-T480 VanDerWaalsContact CG-OG1 3.29Å; D458-T480 WeakPolarHBondContact OD2-CA 3.4Å; D458-T480 WeakPolarHBondContact OD2-CB 3.39Å; D458-T480 PolarHBondContact OD2-OG1 3.36Å; D458-N481 PolarHBondContact OD2-N 2.98Å; D458-N481 PolarHBondContact OD2-OD1 3.26Å | ||
| 459 | D | 97.4 | Very high | 96.3 | Very high | 73 Ų | 73 | 54 Ų | 54 | 39% | 0.39 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 47.9 | 46.3 | -171.8 | -63.5 | -61.3 | 0 | 0 | 0 | 112.1 | D420 A461 F474 S475 | D420-D459 WeakPolarHBondContact O-CA 3.47Å; D459-A461 PolarHBondContact O-N 3.38Å; D459-F474 WeakPolarHBondContact O-CA 3.34Å; D459-S475 PolarHBondContact OD2-OG 2.98Å |
| 460 | V | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | trans | -66.2 | 124.3 | 178.8 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | V417 W422 D426 M457 D458 I469 C472 F474 | V417-V460 HydrophobicContact CG1-CG2 3.73Å; W422-V460 HydrophobicContact CE3-CB 4.17Å; W422-V460 HydrophobicContact CZ3-CB 4.1Å; W422-V460 HydrophobicContact CZ3-CG1 4.16Å; W422-V460 HydrophobicContact CZ3-CG2 4.32Å; D426-V460 HydrophobicContact CB-CG1 4.26Å; M457-V460 HydrophobicContact CB-CG2 3.92Å; M457-V460 HydrophobicContact CE-CG2 4.26Å; D458-V460 PolarHBondContact O-N 2.96Å; V460-I469 HydrophobicContact CG1-CD1 4.15Å; V460-I469 HydrophobicContact CG1-CG1 4.07Å; V460-C472 HydrophobicContact CG1-CB 4.2Å; V460-F474 HydrophobicContact CG2-CB 4.17Å | ||
| 461 | A | 97.6 | Very high | 96.1 | Very high | 57 Ų | 57 | 55.7 Ų | 55.7 | 47% | 0.471 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -135.5 | 78 | -176.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | D459 S473 | D459-A461 PolarHBondContact O-N 3.38Å; A461-S473 PolarHBondContact N-O 3.34Å |
| 462 | C | 97.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 5% | 0.054 | 30% | 0.301 | C | S | . | . | trans | -73.2 | 146.2 | 172.7 | -62.5 | 0 | 0 | 0 | 0 | 111.3 | D426 V429 G464 C472 | D426-C462 WeakPolarHBondContact OD1-CB 3.48Å; D426-C462 PolarHBondContact OD1-N 2.89Å; D426-C462 PolarHBondContact OD1-SG 3.38Å; D426-C462 VanDerWaalsContact OD1-SG 3.34Å; V429-C462 HydrophobicContact CG2-CB 3.95Å; C462-G464 VanDerWaalsContact C-N 3.26Å; C462-C472 VanDerWaalsContact CA-SG 3.55Å; C462-C472 HydrophobicContact CB-CB 3.9Å; C462-C472 WeakPolarHBondContact CB-SG 3.44Å; C462-C472 WeakPolarHBondContact SG-CB 3.49Å; C462-C472 CovalentContact SG-SG 2.02Å; C462-C472 PolarHBondContact SG-SG 2.74Å | ||
| 463 | K | 96.3 | Very high | 96.3 | Very high | 167 Ų | 167 | 53.9 Ų | 53.9 | 73% | 0.726 | 29% | 0.293 | S | S | * | . | trans | -75.1 | -21.9 | 166.8 | -63.3 | 177.5 | -177 | 175.1 | 0 | 111.5 | E466 | K463-E466 WeakPolarHBondContact CB-OE1 3.31Å; K463-E466 VanDerWaalsContact N-CD 3.31Å; K463-E466 PolarHBondContact N-OE1 2.93Å; K463-E466 PolarHBondContact N-OE2 3.16Å; K463-E466 VanDerWaalsContact N-OE2 3.08Å | ||
| 464 | G | 93.3 | Very high | 96.4 | Very high | 17 Ų | 17 | 52.6 Ų | 52.6 | 18% | 0.175 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 97.1 | -6.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R432 C462 E466 | R432-G464 PolarHBondContact NH2-O 3.39Å; C462-G464 VanDerWaalsContact C-N 3.26Å; G464-E466 PolarHBondContact N-OE2 3Å |
| 465 | T | 94.3 | Very high | 96.2 | Very high | 117 Ų | 117 | 49 Ų | 49 | 72% | 0.718 | 26% | 0.263 | S | S | * | . | trans | -101.2 | -7 | -179.6 | 55.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 466 | E | 97.2 | Very high | 96.1 | Very high | 25 Ų | 25 | 55.6 Ų | 55.6 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | trans | -64.6 | 146.9 | -179 | -63.1 | 85.3 | 168.8 | 0 | 0 | 111.2 | V429 R432 K463 G464 R471 | V429-E466 HydrophobicContact CG1-CB 4.13Å; V429-E466 HydrophobicContact CG2-CB 4.06Å; R432-E466 PolarHBondContact NH1-O 3.43Å; R432-E466 VanDerWaalsContact NH1-O 3.12Å; R432-E466 PolarHBondContact NH2-O 3.44Å; K463-E466 WeakPolarHBondContact CB-OE1 3.31Å; K463-E466 VanDerWaalsContact N-CD 3.31Å; K463-E466 PolarHBondContact N-OE1 2.93Å; K463-E466 PolarHBondContact N-OE2 3.16Å; K463-E466 VanDerWaalsContact N-OE2 3.08Å; G464-E466 PolarHBondContact N-OE2 3Å; E466-R471 HydrophobicContact CB-CB 4.37Å; E466-R471 HydrophobicContact CG-CB 4.28Å | ||
| 467 | E | 93.4 | Very high | 96 | Very high | 127 Ų | 127 | 59.3 Ų | 59.3 | 59% | 0.593 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -78.8 | -29.7 | 175.2 | -67 | 178.2 | 154.2 | 0 | 0 | 112.1 | R471 | E467-R471 IonicContact OE2-CZ 2.8Å; E467-R471 IonicContact OE2-NH1 3.27Å; E467-R471 PolarHBondContact OE2-NH1 2.96Å |
| 468 | T | 95.1 | Very high | 95.9 | Very high | 36 Ų | 36 | 60.6 Ų | 60.6 | 22% | 0.221 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -139.3 | 148.7 | -178.6 | 67.2 | 0 | 0 | 0 | 0 | 110.1 | M433 F470 R471 | M433-T468 HydrophobicContact CE-CG2 4.2Å; M433-T468 HydrophobicContact CG-CG2 4.31Å; M433-T468 HydrophobicContact SD-CG2 4.08Å; T468-F470 PolarHBondContact O-N 2.68Å; T468-F470 VanDerWaalsContact O-N 3.17Å; T468-R471 PolarHBondContact O-N 3.28Å; T468-R471 VanDerWaalsContact O-N 3.09Å |
| 469 | I | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -60.6 | -26 | 177.4 | -170.4 | 165.7 | 0 | 0 | 0 | 112 | I393 V408 W422 V429 V430 M433 M457 V460 R471 C472 | I393-I469 HydrophobicContact CD1-CG2 4Å; V408-I469 HydrophobicContact CG1-CG2 4.32Å; W422-I469 HydrophobicContact CH2-CD1 3.77Å; W422-I469 HydrophobicContact CZ3-CD1 3.8Å; V429-I469 HydrophobicContact CG1-CB 4.38Å; V430-I469 HydrophobicContact CG2-CB 4.25Å; V430-I469 HydrophobicContact CG2-CD1 3.54Å; V430-I469 HydrophobicContact CG2-CG1 4.37Å; M433-I469 HydrophobicContact SD-CG2 4.22Å; M457-I469 HydrophobicContact CE-CG1 4Å; M457-I469 HydrophobicContact SD-CG1 4.41Å; M457-I469 HydrophobicContact SD-CG2 4.49Å; V460-I469 HydrophobicContact CG1-CD1 4.15Å; V460-I469 HydrophobicContact CG1-CG1 4.07Å; I469-R471 PolarHBondContact O-N 2.83Å; I469-C472 VanDerWaalsContact O-CB 3.32Å; I469-C472 WeakPolarHBondContact O-CB 3.32Å; I469-C472 PolarHBondContact O-N 2.9Å; I469-C472 VanDerWaalsContact O-N 3.08Å |
| 470 | F | 95.2 | Very high | 95.7 | Very high | 24 Ų | 24 | 63.6 Ų | 63.6 | 11% | 0.105 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -67.8 | -15.6 | 178.6 | -50 | -57.3 | 0 | 0 | 0 | 114 | M391 V408 M433 M457 T468 W477 | M391-F470 HydrophobicContact CB-CD2 3.45Å; M391-F470 VanDerWaalsContact CB-CD2 3.45Å; M391-F470 HydrophobicContact CB-CE1 4.37Å; M391-F470 HydrophobicContact CB-CE2 3.23Å; M391-F470 HydrophobicContact CB-CG 4.12Å; M391-F470 HydrophobicContact CB-CZ 3.74Å; M391-F470 HydrophobicContact CE-CB 4.36Å; M391-F470 HydrophobicContact CE-CD2 4.49Å; M391-F470 HydrophobicContact CG-CD2 4.25Å; M391-F470 HydrophobicContact CG-CE2 4.38Å; M391-F470 HydrophobicContact SD-CB 3.74Å; M391-F470 HydrophobicContact SD-CD1 4.19Å; M391-F470 HydrophobicContact SD-CD2 3.79Å; M391-F470 HydrophobicContact SD-CE2 4.46Å; M391-F470 HydrophobicContact SD-CG 3.62Å; V408-F470 HydrophobicContact CB-CE1 3.87Å; V408-F470 HydrophobicContact CB-CZ 4.19Å; V408-F470 HydrophobicContact CG1-CE1 3.87Å; V408-F470 HydrophobicContact CG1-CZ 4.15Å; M433-F470 HydrophobicContact CE-CD2 4.02Å; M433-F470 HydrophobicContact CE-CE2 3.39Å; M433-F470 HydrophobicContact CE-CZ 4.28Å; M433-F470 HydrophobicContact SD-CE2 4.26Å; M457-F470 HydrophobicContact SD-CD1 4.37Å; M457-F470 HydrophobicContact SD-CE1 4.42Å; T468-F470 PolarHBondContact O-N 2.68Å; T468-F470 VanDerWaalsContact O-N 3.17Å; F470-W477 AromaticContact CD1-CH2 3.56Å; F470-W477 HydrophobicContact CD1-CH2 3.56Å; F470-W477 HydrophobicContact CD1-CZ2 4.11Å; F470-W477 AromaticContact CE1-CH2 3.83Å; F470-W477 HydrophobicContact CE1-CH2 3.83Å |
| 471 | R | 95.3 | Very high | 95.6 | Very high | 167 Ų | 167 | 69.2 Ų | 69.2 | 63% | 0.63 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -93.9 | -5.8 | 174.3 | -72.4 | -173.9 | 172.9 | 163.3 | 4 | 113.3 | E466 E467 T468 I469 | E466-R471 HydrophobicContact CB-CB 4.37Å; E466-R471 HydrophobicContact CG-CB 4.28Å; E467-R471 IonicContact OE2-CZ 2.8Å; E467-R471 IonicContact OE2-NH1 3.27Å; E467-R471 PolarHBondContact OE2-NH1 2.96Å; T468-R471 PolarHBondContact O-N 3.28Å; T468-R471 VanDerWaalsContact O-N 3.09Å; I469-R471 PolarHBondContact O-N 2.83Å |
| 472 | C | 96.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 67.4 Ų | 67.4 | 5% | 0.054 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -72.7 | 159.8 | 174.2 | -57.5 | 0 | 0 | 0 | 0 | 110.5 | V460 C462 I469 F474 | V460-C472 HydrophobicContact CG1-CB 4.2Å; C462-C472 VanDerWaalsContact CA-SG 3.55Å; C462-C472 HydrophobicContact CB-CB 3.9Å; C462-C472 WeakPolarHBondContact CB-SG 3.44Å; C462-C472 WeakPolarHBondContact SG-CB 3.49Å; C462-C472 CovalentContact SG-SG 2.02Å; C462-C472 PolarHBondContact SG-SG 2.74Å; I469-C472 VanDerWaalsContact O-CB 3.32Å; I469-C472 WeakPolarHBondContact O-CB 3.32Å; I469-C472 PolarHBondContact O-N 2.9Å; I469-C472 VanDerWaalsContact O-N 3.08Å; C472-F474 VanDerWaalsContact O-CD1 3.31Å; C472-F474 WeakPolarHBondContact O-CD1 3.43Å |
| 473 | S | 96.9 | Very high | 95.6 | Very high | 86 Ų | 86 | 68.6 Ų | 68.6 | 60% | 0.601 | 37% | 0.367 | S | S | * | . | B | Isolated β-bridge | trans | -71.6 | 137.3 | 167.2 | -171.3 | 0 | 0 | 0 | 0 | 108.5 | A461 | A461-S473 PolarHBondContact N-O 3.34Å |
| 474 | F | 96.4 | Very high | 95.7 | Very high | 41 Ų | 41 | 62.4 Ų | 62.4 | 18% | 0.18 | 34% | 0.341 | C | S | . | . | trans | -154.6 | 164.9 | 171.5 | 62.2 | -85.3 | 0 | 0 | 0 | 107.8 | M457 D458 D459 V460 C472 W477 | M457-F474 HydrophobicContact CE-CB 4.31Å; M457-F474 HydrophobicContact CE-CD1 3.5Å; M457-F474 HydrophobicContact CE-CD2 4.2Å; M457-F474 HydrophobicContact CE-CE1 3.76Å; M457-F474 HydrophobicContact CE-CE2 4.4Å; M457-F474 HydrophobicContact CE-CG 3.76Å; M457-F474 HydrophobicContact CE-CZ 4.2Å; M457-F474 HydrophobicContact CG-CD2 4.43Å; D458-F474 WeakPolarHBondContact O-CB 3.47Å; D459-F474 WeakPolarHBondContact O-CA 3.34Å; V460-F474 HydrophobicContact CG2-CB 4.17Å; C472-F474 VanDerWaalsContact O-CD1 3.31Å; C472-F474 WeakPolarHBondContact O-CD1 3.43Å; F474-W477 AromaticContact CE2-CD2 3.93Å; F474-W477 HydrophobicContact CE2-CD2 3.93Å; F474-W477 HydrophobicContact CE2-CE3 4.31Å; F474-W477 HydrophobicContact CE2-CG 4.18Å; F474-W477 HydrophobicContact CZ-CD2 4.02Å; F474-W477 AromaticContact CZ-CE2 3.64Å; F474-W477 HydrophobicContact CZ-CG 4.45Å; F474-W477 HydrophobicContact CZ-CH2 4.48Å; F474-W477 AromaticContact CZ-CZ2 3.91Å; F474-W477 HydrophobicContact CZ-CZ2 3.91Å; F474-W477 AromaticContact CZ-NE1 3.82Å | ||
| 475 | S | 91.9 | Very high | 95.9 | Very high | 56 Ų | 56 | 64 Ų | 64 | 39% | 0.392 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -54.2 | -80.7 | -172 | -85.7 | 0 | 0 | 0 | 0 | 113.1 | D458 D459 | D458-S475 PolarHBondContact O-N 3.07Å; D459-S475 PolarHBondContact OD2-OG 2.98Å |
| 476 | K | 94.9 | Very high | 96.1 | Very high | 153 Ų | 153 | 61.5 Ų | 61.5 | 67% | 0.665 | 33% | 0.333 | S | S | * | . | B | Isolated β-bridge | trans | -160.1 | 160.3 | 166.2 | -65.9 | -172 | -177.3 | 165.3 | 0 | 108.6 | G478 V479 | K476-G478 PolarHBondContact O-N 3.3Å; K476-G478 VanDerWaalsContact O-N 3.11Å; K476-V479 HydrophobicContact CB-CB 4.1Å; K476-V479 HydrophobicContact CB-CG2 3.89Å; K476-V479 PolarHBondContact O-N 2.97Å; K476-V479 VanDerWaalsContact O-N 3.14Å |
| 477 | W | 95.8 | Very high | 96.2 | Very high | 81 Ų | 81 | 60.3 Ų | 60.3 | 31% | 0.307 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 117.5 | 176.7 | -71.3 | 114.1 | 0 | 0 | 0 | 113 | V408 H410 W456 M457 F470 F474 V479 | V408-W477 HydrophobicContact CG2-CZ3 4.34Å; H410-W477 HydrophobicContact CB-CE3 4.02Å; H410-W477 HydrophobicContact CB-CH2 4.11Å; H410-W477 HydrophobicContact CB-CZ3 3.7Å; H410-W477 AromaticContact CD2-CD2 3.61Å; H410-W477 AromaticContact CD2-CE2 3.52Å; H410-W477 AromaticContact CD2-CE3 3.8Å; H410-W477 AromaticContact CD2-CH2 3.79Å; H410-W477 AromaticContact CD2-CZ2 3.63Å; H410-W477 AromaticContact CD2-CZ3 3.9Å; H410-W477 AromaticContact CE1-CD2 3.86Å; H410-W477 AromaticContact CE1-CG 3.75Å; H410-W477 AromaticContact CG-CD2 3.86Å; H410-W477 AromaticContact CG-CE3 3.63Å; H410-W477 AromaticContact CG-CZ3 3.74Å; H410-W477 AromaticContact ND1-CE3 3.92Å; H410-W477 AromaticContact NE2-CD1 3.81Å; H410-W477 AromaticContact NE2-CD2 3.64Å; H410-W477 AromaticContact NE2-CE2 3.66Å; H410-W477 AromaticContact NE2-CG 3.74Å; H410-W477 AromaticContact NE2-NE1 3.76Å; W456-W477 HydrophobicContact CB-CE3 4.1Å; W456-W477 HydrophobicContact CB-CZ3 4.1Å; W456-W477 HydrophobicContact CE3-CE3 4.5Å; W456-W477 WeakPolarHBondContact O-CA 3.36Å; M457-W477 HydrophobicContact CG-CE3 4.21Å; M457-W477 HydrophobicContact CG-CH2 4.44Å; M457-W477 HydrophobicContact CG-CZ3 3.75Å; M457-W477 HydrophobicContact SD-CH2 4.3Å; M457-W477 HydrophobicContact SD-CZ3 4.14Å; F470-W477 AromaticContact CD1-CH2 3.56Å; F470-W477 HydrophobicContact CD1-CH2 3.56Å; F470-W477 HydrophobicContact CD1-CZ2 4.11Å; F470-W477 AromaticContact CE1-CH2 3.83Å; F470-W477 HydrophobicContact CE1-CH2 3.83Å; F474-W477 AromaticContact CE2-CD2 3.93Å; F474-W477 HydrophobicContact CE2-CD2 3.93Å; F474-W477 HydrophobicContact CE2-CE3 4.31Å; F474-W477 HydrophobicContact CE2-CG 4.18Å; F474-W477 HydrophobicContact CZ-CD2 4.02Å; F474-W477 AromaticContact CZ-CE2 3.64Å; F474-W477 HydrophobicContact CZ-CG 4.45Å; F474-W477 HydrophobicContact CZ-CH2 4.48Å; F474-W477 AromaticContact CZ-CZ2 3.91Å; F474-W477 HydrophobicContact CZ-CZ2 3.91Å; F474-W477 AromaticContact CZ-NE1 3.82Å; W477-V479 PolarHBondContact O-N 2.84Å |
| 478 | G | 95.1 | Very high | 96.4 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 29% | 0.289 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 11.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | I455 W456 K476 | I455-G478 WeakPolarHBondContact O-CA 3.48Å; W456-G478 PolarHBondContact O-N 2.94Å; K476-G478 PolarHBondContact O-N 3.3Å; K476-G478 VanDerWaalsContact O-N 3.11Å |
| 479 | V | 96.1 | Very high | 96.6 | Very high | 87 Ų | 87 | 52.6 Ų | 52.6 | 53% | 0.527 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -103.2 | 114.5 | 174.2 | 179.8 | 0 | 0 | 0 | 0 | 107.6 | K476 W477 | K476-V479 HydrophobicContact CB-CB 4.1Å; K476-V479 HydrophobicContact CB-CG2 3.89Å; K476-V479 PolarHBondContact O-N 2.97Å; K476-V479 VanDerWaalsContact O-N 3.14Å; W477-V479 PolarHBondContact O-N 2.84Å |
| 480 | T | 96.6 | Very high | 96.6 | Very high | 50 Ų | 50 | 52.6 Ų | 52.6 | 31% | 0.307 | 29% | 0.288 | S | S | . | . | trans | -153.6 | 154.7 | -177.3 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | I455 D458 C482 | I455-T480 HydrophobicContact CB-CG2 3.85Å; I455-T480 HydrophobicContact CD1-CG2 4.29Å; I455-T480 HydrophobicContact CG2-CG2 4.07Å; D458-T480 VanDerWaalsContact CG-OG1 3.29Å; D458-T480 WeakPolarHBondContact OD2-CA 3.4Å; D458-T480 WeakPolarHBondContact OD2-CB 3.39Å; D458-T480 PolarHBondContact OD2-OG1 3.36Å; T480-C482 VanDerWaalsContact OG1-CB 3.31Å; T480-C482 WeakPolarHBondContact OG1-CB 3.47Å; T480-C482 PolarHBondContact OG1-N 3.21Å; T480-C482 PolarHBondContact OG1-SG 3.47Å | ||
| 481 | N | 95.8 | Very high | 96.8 | Very high | 119 Ų | 119 | 51.8 Ų | 51.8 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -100.1 | 4.8 | 166.9 | 54.3 | -76.9 | 0 | 0 | 0 | 113.3 | D420 D458 | D420-N481 PolarHBondContact OD2-ND2 3.25Å; D420-N481 VanDerWaalsContact OD2-ND2 3.15Å; D458-N481 PolarHBondContact OD2-N 2.98Å; D458-N481 PolarHBondContact OD2-OD1 3.26Å |
| 482 | C | 97.4 | Very high | 96.9 | Very high | 18 Ų | 18 | 43.9 Ų | 43.9 | 12% | 0.122 | 26% | 0.256 | C | S | . | . | trans | -90.7 | 156.7 | -172.3 | -51.2 | 0 | 0 | 0 | 0 | 113.6 | C418 I455 T480 E486 | C418-C482 HydrophobicContact CB-CB 3.66Å; C418-C482 WeakPolarHBondContact CB-SG 3.4Å; C418-C482 WeakPolarHBondContact SG-CB 3.31Å; C418-C482 CovalentContact SG-SG 2Å; C418-C482 PolarHBondContact SG-SG 3.4Å; I455-C482 HydrophobicContact CD1-CB 4.12Å; I455-C482 WeakPolarHBondContact CD1-O 3.35Å; T480-C482 VanDerWaalsContact OG1-CB 3.31Å; T480-C482 WeakPolarHBondContact OG1-CB 3.47Å; T480-C482 PolarHBondContact OG1-N 3.21Å; T480-C482 PolarHBondContact OG1-SG 3.47Å; C482-E486 VanDerWaalsContact CA-OE2 3.25Å; C482-E486 WeakPolarHBondContact CA-OE2 3.43Å; C482-E486 HydrophobicContact CB-CB 4.14Å | ||
| 483 | G | 97.4 | Very high | 96.9 | Very high | 34 Ų | 34 | 46.6 Ų | 46.6 | 35% | 0.351 | 27% | 0.27 | S | S | . | . | trans | -102.5 | 169.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 112 | A485 E486 | G483-A485 PolarHBondContact O-N 2.83Å; G483-E486 PolarHBondContact N-OE2 3.42Å; G483-E486 WeakPolarHBondContact O-CB 3.35Å; G483-E486 PolarHBondContact O-N 3.33Å | ||
| 484 | H | 98.3 | Very high | 96.3 | Very high | 37 Ų | 37 | 50.8 Ų | 50.8 | 17% | 0.171 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -66.2 | -10.4 | 177.9 | -75.1 | -56.5 | 0 | 0 | 0 | 114.7 | T416 A446 Q450 G451 T452 G453 E486 D487 | T416-H484 PolarHBondContact OG1-CE1 2.82Å; T416-H484 PolarHBondContact OG1-ND1 2.88Å; A446-H484 WeakPolarHBondContact CB-O 3.29Å; Q450-H484 HydrophobicContact CB-CB 3.94Å; Q450-H484 HydrophobicContact CG-CB 4.45Å; Q450-H484 WeakPolarHBondContact CG-O 3.46Å; G451-H484 PolarHBondContact O-CD2 2.89Å; G451-H484 VanDerWaalsContact O-CD2 3.3Å; T452-H484 WeakPolarHBondContact CA-NE2 3.39Å; G453-H484 PolarHBondContact N-NE2 3.46Å; G453-H484 VanDerWaalsContact N-NE2 3.19Å; G453-H484 PolarHBondContact O-NE2 3.48Å; H484-E486 PolarHBondContact O-N 3.47Å; H484-D487 IonicContact CG-OD2 2.75Å; H484-D487 IonicContact ND1-OD1 3.46Å; H484-D487 PolarHBondContact ND1-OD1 2.92Å; H484-D487 VanDerWaalsContact ND1-OD1 3.07Å; H484-D487 IonicContact ND1-OD2 3.48Å; H484-D487 PolarHBondContact ND1-OD2 3.39Å; H484-D487 PolarHBondContact O-N 2.9Å |
| 485 | A | 97.9 | Very high | 95.1 | Very high | 50 Ų | 50 | 56.6 Ų | 56.6 | 41% | 0.413 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -63.9 | -18.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T445 A446 G483 | T445-A485 CarbonylContact C-O 3.59Å; T445-A485 WeakPolarHBondContact CA-O 3.44Å; A446-A485 WeakPolarHBondContact CB-O 3.43Å; A446-A485 PolarHBondContact N-O 2.94Å; G483-A485 PolarHBondContact O-N 2.83Å |
| 486 | E | 98.4 | Very high | 95.2 | Very high | 65 Ų | 65 | 56.7 Ų | 56.7 | 30% | 0.304 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -108 | 22.2 | -177.1 | -62.6 | 161.5 | 124.7 | 0 | 0 | 111.2 | C418 D419 C482 G483 H484 A488 | C418-E486 CarbonylContact C-O 3.6Å; C418-E486 WeakPolarHBondContact CA-O 3.45Å; D419-E486 WeakPolarHBondContact CB-O 3.43Å; D419-E486 VanDerWaalsContact CG-O 3.26Å; D419-E486 PolarHBondContact N-O 2.95Å; D419-E486 VanDerWaalsContact OD2-CA 3.31Å; D419-E486 WeakPolarHBondContact OD2-CA 3.45Å; C482-E486 VanDerWaalsContact CA-OE2 3.25Å; C482-E486 WeakPolarHBondContact CA-OE2 3.43Å; C482-E486 HydrophobicContact CB-CB 4.14Å; G483-E486 PolarHBondContact N-OE2 3.42Å; G483-E486 WeakPolarHBondContact O-CB 3.35Å; G483-E486 PolarHBondContact O-N 3.33Å; H484-E486 PolarHBondContact O-N 3.47Å; E486-A488 PolarHBondContact O-N 3.43Å |
| 487 | D | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -69.9 | 123.7 | 178 | -72.9 | -29.3 | 0 | 0 | 0 | 111.4 | R405 T416 V417 A446 G451 H484 | R405-D487 HydrophobicContact CG-CB 4.08Å; T416-D487 WeakPolarHBondContact CB-OD1 3.47Å; T416-D487 PolarHBondContact OG1-OD1 3.42Å; V417-D487 CarbonylContact O-C 3.53Å; V417-D487 WeakPolarHBondContact O-CA 3.5Å; A446-D487 VanDerWaalsContact CA-O 3.27Å; A446-D487 WeakPolarHBondContact CA-O 3.32Å; A446-D487 HydrophobicContact CB-CB 4.2Å; A446-D487 PolarHBondContact N-O 3.49Å; A446-D487 VanDerWaalsContact N-O 3.15Å; G451-D487 WeakPolarHBondContact CA-OD2 3.39Å; G451-D487 PolarHBondContact N-OD2 3.42Å; H484-D487 IonicContact CG-OD2 2.75Å; H484-D487 IonicContact ND1-OD1 3.46Å; H484-D487 PolarHBondContact ND1-OD1 2.92Å; H484-D487 VanDerWaalsContact ND1-OD1 3.07Å; H484-D487 IonicContact ND1-OD2 3.48Å; H484-D487 PolarHBondContact ND1-OD2 3.39Å; H484-D487 PolarHBondContact O-N 2.9Å |
| 488 | A | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -68.5 | 148.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | V406 V417 D419 W422 E486 | V406-A488 PolarHBondContact N-O 2.89Å; V417-A488 HydrophobicContact CB-CB 4.29Å; V417-A488 HydrophobicContact CG1-CB 4.28Å; V417-A488 WeakPolarHBondContact O-CB 3.5Å; V417-A488 PolarHBondContact O-N 2.96Å; D419-A488 HydrophobicContact CB-CB 4.17Å; W422-A488 HydrophobicContact CB-CB 4.39Å; W422-A488 HydrophobicContact CD2-CB 3.56Å; W422-A488 HydrophobicContact CE3-CB 4.05Å; W422-A488 HydrophobicContact CG-CB 3.7Å; W422-A488 HydrophobicContact CZ2-CB 4.25Å; E486-A488 PolarHBondContact O-N 3.43Å | ||
| 489 | S | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 155 | -172 | -73.2 | 0 | 0 | 0 | 0 | 111.4 | G404 R405 W422 V442 Y443 | G404-S489 WeakPolarHBondContact O-CA 3.3Å; R405-S489 WeakPolarHBondContact CA-OG 3.42Å; W422-S489 PolarHBondContact NE1-O 3.23Å; V442-S489 WeakPolarHBondContact CA-O 3.37Å; Y443-S489 PolarHBondContact N-O 2.89Å; Y443-S489 PolarHBondContact O-N 2.87Å; Y443-S489 VanDerWaalsContact O-N 3.09Å |
| 490 | V | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 153.7 | 179.3 | -56.6 | 0 | 0 | 0 | 0 | 112.1 | L395 E403 G404 V406 W422 V430 V442 | L395-V490 HydrophobicContact CD1-CG2 3.86Å; L395-V490 HydrophobicContact CD2-CG2 3.55Å; L395-V490 HydrophobicContact CG-CG2 4.38Å; E403-V490 CarbonylContact C-O 3.49Å; E403-V490 VanDerWaalsContact CA-O 3.26Å; E403-V490 WeakPolarHBondContact CA-O 3.48Å; G404-V490 PolarHBondContact N-O 2.87Å; G404-V490 PolarHBondContact O-N 3.1Å; V406-V490 HydrophobicContact CG2-CG1 3.87Å; V406-V490 HydrophobicContact CG2-CG2 4.03Å; W422-V490 HydrophobicContact CZ2-CG1 3.61Å; V430-V490 HydrophobicContact CG1-CG2 4.05Å; V442-V490 HydrophobicContact CG1-CG1 4.15Å |
| 491 | T | 98.3 | Very high | 95.1 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 5% | 0.049 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 127 | 159.7 | -64.6 | 0 | 0 | 0 | 0 | 108.2 | H402 E403 V439 E440 E441 | H402-T491 CarbonylContact O-C 3.56Å; H402-T491 WeakPolarHBondContact O-CA 3.43Å; E403-T491 HydrophobicContact CB-CG2 4.14Å; E403-T491 WeakPolarHBondContact CB-OG1 3.3Å; V439-T491 WeakPolarHBondContact CG2-O 3.35Å; E440-T491 HydrophobicContact CB-CG2 4.33Å; E440-T491 WeakPolarHBondContact CB-O 3.37Å; E440-T491 PolarHBondContact N-O 3.48Å; E441-T491 PolarHBondContact N-O 3.43Å; E441-T491 VanDerWaalsContact N-O 3.14Å; E441-T491 PolarHBondContact O-N 2.77Å |
| 492 | C | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 146.5 | -176.1 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | H402 C431 F436 R494 | H402-C492 HydrophobicContact CB-CB 4.33Å; H402-C492 WeakPolarHBondContact O-CB 3.43Å; H402-C492 PolarHBondContact O-N 3.27Å; C431-C492 WeakPolarHBondContact CA-SG 3.33Å; C431-C492 HydrophobicContact CB-CB 3.71Å; C431-C492 WeakPolarHBondContact CB-SG 3.42Å; C431-C492 WeakPolarHBondContact SG-CA 3.42Å; C431-C492 WeakPolarHBondContact SG-CB 3.24Å; C431-C492 CovalentContact SG-SG 2.04Å; C431-C492 PolarHBondContact SG-SG 3.16Å; F436-C492 HydrophobicContact CB-CB 3.77Å; F436-C492 HydrophobicContact CD1-CB 4.35Å; F436-C492 HydrophobicContact CD2-CB 3.73Å; F436-C492 HydrophobicContact CE2-CB 4.45Å; F436-C492 HydrophobicContact CG-CB 3.68Å; C492-R494 PolarHBondContact O-N 2.86Å |
| 493 | N | 95.3 | Very high | 94.8 | Very high | 65 Ų | 65 | 45.9 Ų | 45.9 | 35% | 0.348 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -64.6 | 126.5 | 172.9 | -71.6 | -56.2 | 0 | 0 | 0 | 110.3 | R437 G438 V439 | R437-N493 HydrophobicContact CB-CB 4.47Å; G438-N493 PolarHBondContact O-N 3.23Å; V439-N493 PolarHBondContact O-ND2 3.37Å; V439-N493 VanDerWaalsContact O-ND2 3.12Å |
| 494 | R | 85.8 | Confident | 94.6 | Very high | 175 Ų | 175 | 46.9 Ų | 46.9 | 66% | 0.66 | 23% | 0.225 | S | C | * | . | P | Polyproline II helix | trans | -64.5 | 154.7 | 175.2 | -60.9 | -178.4 | -173.2 | 167 | 5.2 | 110.8 | H402 C492 | H402-R494 PolarHBondContact CE1-NE 3.24Å; H402-R494 PolarHBondContact CE1-NH2 3.14Å; H402-R494 VanDerWaalsContact NE2-CZ 3.34Å; H402-R494 PolarHBondContact NE2-NE 3.31Å; H402-R494 PolarHBondContact NE2-NH2 3.48Å; C492-R494 PolarHBondContact O-N 2.86Å |
| 495 | H | 69.9 | Low | 94.3 | Very high | 163 Ų | 163 | 47.8 Ų | 47.8 | 76% | 0.755 | 23% | 0.23 | S | C | * | . | trans | -61.1 | 0 | 179.1 | -79.1 | -68.5 | 0 | 0 | 0 | 113.6 | G435 R437 | G435-H495 PolarHBondContact O-CE1 2.81Å; G435-H495 PolarHBondContact O-NE2 3.42Å; R437-H495 VanDerWaalsContact CZ-OXT 3.3Å; R437-H495 PolarHBondContact NE-OXT 2.85Å; R437-H495 PolarHBondContact NH2-OXT 3.45Å |
Retrieved 495 of 495 residues in 88.4 ms
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