| 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 | 41.2 | Very low | 54.2 | Low | 230 Ų | 230 | 138.4 Ų | 138.4 | 100% | 1.133 | 86% | 0.862 | S | S | * | * | 0 | 63 | 0 | -58.4 | -168.9 | 166 | 0 | 0 | 106.9 | |||||
| 2 | D | 43.9 | Very low | 54.6 | Low | 167 Ų | 167 | 137.3 Ų | 137.3 | 89% | 0.893 | 86% | 0.858 | S | S | * | * | 72.4 | 99.1 | 87.3 | -74 | -71.1 | 0 | 0 | 0 | 111.7 | |||||
| 3 | G | 48.3 | Very low | 54.6 | Low | 80 Ų | 80 | 133.4 Ų | 133.4 | 83% | 0.825 | 85% | 0.847 | S | S | * | * | trans | -143.6 | 101.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 4 | G | 45.1 | Very low | 55.1 | Low | 78 Ų | 78 | 133 Ų | 133 | 80% | 0.804 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 146.3 | -157.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 5 | A | 55.3 | Low | 54.9 | Low | 104 Ų | 104 | 140.1 Ų | 140.1 | 86% | 0.86 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 120.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 6 | L | 64.1 | Low | 55.2 | Low | 164 Ų | 164 | 140.3 Ų | 140.3 | 86% | 0.859 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 134.6 | 170.9 | -68.8 | 171.6 | 0 | 0 | 0 | 110.3 | ||
| 7 | P | 59.7 | Low | 55.3 | Low | 123 Ų | 123 | 138.5 Ų | 138.5 | 80% | 0.799 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 125.6 | 172.9 | 31.7 | -30.5 | 0 | 0 | 0 | 110.1 | ||
| 8 | R | 57.2 | Low | 54.8 | Low | 244 Ų | 244 | 137.9 Ų | 137.9 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 123.1 | 168.7 | -79 | -177.7 | 117.5 | -169.5 | 1.9 | 110.5 | ||
| 9 | S | 50.9 | Low | 54.5 | Low | 118 Ų | 118 | 136.9 Ų | 136.9 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 151.1 | 178.2 | 40.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 10 | A | 62.1 | Low | 53.8 | Low | 96 Ų | 96 | 135.9 Ų | 135.9 | 79% | 0.793 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 154.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 11 | P | 68.4 | Low | 53.5 | Low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 157.7 | 158.2 | 34.5 | -28.6 | 0 | 0 | 0 | 113.6 | ||
| 12 | P | 58.6 | Low | 53.7 | Low | 126 Ų | 126 | 127.8 Ų | 127.8 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 164.6 | -156.5 | 35.4 | -37.9 | 0 | 0 | 0 | 116.4 | ||
| 13 | A | 55.5 | Low | 54 | Low | 86 Ų | 86 | 131.7 Ų | 131.7 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -60 | 148.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 14 | P | 61.8 | Low | 54.1 | Low | 128 Ų | 128 | 139.3 Ų | 139.3 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 127.6 | 171.8 | 30 | -31.1 | 0 | 0 | 0 | 112.1 | ||
| 15 | R | 51.6 | Low | 54.6 | Low | 239 Ų | 239 | 147 Ų | 147 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 130.2 | 175.1 | -67.5 | 167.7 | 163.8 | -122.4 | -2.4 | 110.5 | ||
| 16 | V | 59.9 | Low | 54.2 | Low | 143 Ų | 143 | 148.2 Ų | 148.2 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 133.5 | 168.4 | -80.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 17 | P | 55.8 | Low | 53.8 | Low | 111 Ų | 111 | 146.9 Ų | 146.9 | 72% | 0.721 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 133.7 | 175.7 | 37.6 | -30.3 | 0 | 0 | 0 | 112.3 | ||
| 18 | V | 47.1 | Very low | 53.1 | Low | 128 Ų | 128 | 146.2 Ų | 146.2 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | trans | 59.8 | 108 | 146.1 | -111.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 19 | S | 49.2 | Very low | 53.1 | Low | 118 Ų | 118 | 140.3 Ų | 140.3 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -90.4 | 107.7 | 149.2 | 63.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 20 | C | 40 | Very low | 52.9 | Low | 116 Ų | 116 | 142.9 Ų | 142.9 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | -103.4 | 91.3 | 164.8 | -77.5 | 0 | 0 | 0 | 0 | 109.1 | A22 | C20-A22 PolarHBondContact O-N 3.42Š| ||
| 21 | A | 47 | Very low | 52.6 | Low | 104 Ų | 104 | 145.9 Ų | 145.9 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -89.7 | 86.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 22 | A | 45.9 | Very low | 52.1 | Low | 92 Ų | 92 | 148.1 Ų | 148.1 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | trans | -105.5 | 106.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | C20 R24 | C20-A22 PolarHBondContact O-N 3.42Å; A22-R24 PolarHBondContact O-N 2.96Å | ||
| 23 | R | 50.8 | Low | 52.1 | Low | 250 Ų | 250 | 152.9 Ų | 152.9 | 94% | 0.943 | 83% | 0.827 | S | S | * | * | trans | -62.7 | 117.7 | 167.9 | -65.8 | 173.1 | -175.8 | -95.5 | 0.4 | 108.6 | ||||
| 24 | R | 49.5 | Very low | 51.5 | Low | 239 Ų | 239 | 155 Ų | 155 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | -132.8 | 111.1 | 156.2 | -80.3 | -172.8 | 147.1 | -118.6 | -3 | 108.9 | A22 | A22-R24 PolarHBondContact O-N 2.96Š| ||
| 25 | R | 55.3 | Low | 51 | Low | 240 Ų | 240 | 154.9 Ų | 154.9 | 91% | 0.906 | 84% | 0.837 | S | S | * | * | trans | -66.1 | 133.3 | 166.4 | -82.7 | 177.2 | 155.5 | -178.2 | -6.1 | 108.7 | ||||
| 26 | P | 48.3 | Very low | 50.8 | Low | 129 Ų | 129 | 153.5 Ų | 153.5 | 84% | 0.838 | 83% | 0.832 | S | S | * | * | trans | -90 | 119 | 159.7 | 29.1 | -21.9 | 0 | 0 | 0 | 109.9 | ||||
| 27 | T | 55.9 | Low | 50.4 | Low | 136 Ų | 136 | 157.7 Ų | 157.7 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | trans | -88.7 | 112.6 | 160.3 | 43.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 28 | S | 43.5 | Very low | 50.3 | Low | 110 Ų | 110 | 163.2 Ų | 163.2 | 77% | 0.769 | 84% | 0.838 | S | S | * | * | trans | 165.1 | 140.8 | 144.2 | -166.4 | 0 | 0 | 0 | 0 | 110.4 | E30 | S28-E30 PolarHBondContact O-N 2.86Š| ||
| 29 | P | 57.9 | Low | 50.8 | Low | 120 Ų | 120 | 167.8 Ų | 167.8 | 78% | 0.779 | 84% | 0.842 | S | S | * | * | trans | -88.9 | 102.3 | -170 | 34.1 | -27.6 | 0 | 0 | 0 | 111.2 | ||||
| 30 | E | 47.2 | Very low | 50.7 | Low | 171 Ų | 171 | 167.7 Ų | 167.7 | 80% | 0.799 | 84% | 0.838 | S | S | * | * | trans | -114.4 | 57.5 | 164.9 | -126 | -117.2 | 130.8 | 0 | 0 | 108.7 | S28 | S28-E30 PolarHBondContact O-N 2.86Š| ||
| 31 | L | 54.4 | Low | 51.3 | Low | 159 Ų | 159 | 166.7 Ų | 166.7 | 83% | 0.832 | 84% | 0.838 | S | S | * | * | trans | -85.9 | 98.5 | 159.9 | -66.4 | 179.9 | 0 | 0 | 0 | 105.7 | ||||
| 32 | L | 59.1 | Low | 51.5 | Low | 166 Ų | 166 | 167.8 Ų | 167.8 | 87% | 0.869 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -179.7 | 8.5 | 147.9 | -93.8 | 160 | 0 | 0 | 0 | 117.6 | ||
| 33 | R | 58.8 | Low | 51.8 | Low | 226 Ų | 226 | 167.2 Ų | 167.2 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -134.1 | 122.9 | 160 | -79.9 | -171.8 | 174.6 | 156.5 | -0.6 | 111.7 | ||
| 34 | C | 42.8 | Very low | 51.9 | Low | 130 Ų | 130 | 163.9 Ų | 163.9 | 88% | 0.878 | 83% | 0.825 | S | S | * | * | trans | 76.7 | 54.5 | -169.9 | -54.2 | 0 | 0 | 0 | 0 | 115.5 | R36 | C34-R36 PolarHBondContact O-N 2.91Š| ||
| 35 | S | 50.7 | Low | 52.2 | Low | 125 Ų | 125 | 158.9 Ų | 158.9 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -61.6 | 86.7 | 151.8 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | R37 | S35-R37 PolarHBondContact O-N 3.49Å; S35-R37 VanDerWaalsContact O-N 3.09Å | ||
| 36 | R | 48.3 | Very low | 52.1 | Low | 211 Ų | 211 | 149.9 Ų | 149.9 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | -40.9 | 106.5 | 154.3 | -164 | 175.6 | -153.7 | -171 | 2.9 | 108.2 | C34 R38 | C34-R36 PolarHBondContact O-N 2.91Å; R36-R38 PolarHBondContact O-N 3.45Å | ||
| 37 | R | 51.6 | Low | 52.7 | Low | 230 Ų | 230 | 146.3 Ų | 146.3 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | trans | -58.1 | 91 | 157.2 | -172 | -176.9 | -81.1 | -105.3 | 5.8 | 105.8 | S35 R39 | S35-R37 PolarHBondContact O-N 3.49Å; S35-R37 VanDerWaalsContact O-N 3.09Å; R37-R39 PolarHBondContact O-N 3.49Å | ||
| 38 | R | 53.8 | Low | 53.5 | Low | 228 Ų | 228 | 143.9 Ų | 143.9 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -56 | 102.2 | 169.3 | -82.2 | -177.1 | 163.9 | -132.2 | 0.5 | 106.8 | R36 | R36-R38 PolarHBondContact O-N 3.45Š| ||
| 39 | R | 57.8 | Low | 55.6 | Low | 224 Ų | 224 | 141.7 Ų | 141.7 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | -80.9 | 147 | 154.7 | -96.5 | -179.7 | 161 | 160.4 | -5.3 | 107.9 | R37 | R37-R39 PolarHBondContact O-N 3.49Š| ||
| 40 | P | 46.7 | Very low | 57 | Low | 115 Ų | 115 | 138.2 Ų | 138.2 | 75% | 0.747 | 75% | 0.748 | S | S | * | * | trans | -65.9 | 139.9 | -163.4 | 28 | -33.6 | 0 | 0 | 0 | 111.2 | T42 | P40-T42 PolarHBondContact O-N 3.47Š| ||
| 41 | A | 52.8 | Low | 59 | Low | 96 Ų | 96 | 132.2 Ų | 132.2 | 79% | 0.793 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -71.8 | 85.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 42 | T | 50.7 | Low | 60.8 | Low | 127 Ų | 127 | 128 Ų | 128 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | trans | -165.3 | 73.5 | 159.5 | 47.1 | 0 | 0 | 0 | 0 | 109.6 | P40 | P40-T42 PolarHBondContact O-N 3.47Š| ||
| 43 | A | 52.8 | Low | 62.5 | Low | 79 Ų | 79 | 122.7 Ų | 122.7 | 65% | 0.653 | 69% | 0.689 | S | S | * | * | trans | -176.3 | 34.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112 | T45 | A43-T45 PolarHBondContact O-N 3.47Š| ||
| 44 | E | 53 | Low | 64.1 | Low | 180 Ų | 180 | 119.1 Ų | 119.1 | 84% | 0.841 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 66.5 | -179.1 | -65.5 | -65.3 | 141.5 | 0 | 0 | 110.5 | ||
| 45 | T | 54.1 | Low | 66.6 | Low | 134 Ų | 134 | 122.3 Ų | 122.3 | 82% | 0.822 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -164.6 | -19.5 | 158.1 | -12.7 | 0 | 0 | 0 | 0 | 113.4 | A43 | A43-T45 PolarHBondContact O-N 3.47Š|
| 46 | G | 54.8 | Low | 68.9 | Low | 51 Ų | 51 | 120.3 Ų | 120.3 | 53% | 0.526 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -92.4 | -24.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | S48 A49 | G46-S48 PolarHBondContact O-N 2.8Å; G46-A49 PolarHBondContact O-N 3.5Å |
| 47 | G | 61.2 | Low | 71.1 | Confident | 54 Ų | 54 | 114.3 Ų | 114.3 | 56% | 0.557 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.1 | -29.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A51 | G47-A51 PolarHBondContact O-N 2.86Å |
| 48 | S | 72.5 | Confident | 73.2 | Confident | 86 Ų | 86 | 112.1 Ų | 112.1 | 60% | 0.601 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.3 | -43.4 | 176.3 | -175.2 | 0 | 0 | 0 | 0 | 111.2 | G46 A50 A51 V52 | G46-S48 PolarHBondContact O-N 2.8Å; S48-A50 PolarHBondContact O-N 3.4Å; S48-A51 PolarHBondContact O-N 3.32Å; S48-V52 WeakPolarHBondContact O-CB 3.09Å; S48-V52 WeakPolarHBondContact O-CG2 3.44Å; S48-V52 PolarHBondContact O-N 3.16Å |
| 49 | A | 87.1 | Confident | 75.3 | Confident | 64 Ų | 64 | 105.5 Ų | 105.5 | 53% | 0.529 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.8 | -43.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G46 V52 A53 | G46-A49 PolarHBondContact O-N 3.5Å; A49-V52 PolarHBondContact O-N 3.39Å; A49-A53 WeakPolarHBondContact O-CB 3.29Å; A49-A53 PolarHBondContact O-N 3.41Å |
| 50 | A | 88.1 | Confident | 77.2 | Confident | 46 Ų | 46 | 102.8 Ų | 102.8 | 38% | 0.38 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.6 | -36.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S48 R54 | S48-A50 PolarHBondContact O-N 3.4Å; A50-R54 WeakPolarHBondContact O-CG 3.24Å; A50-R54 PolarHBondContact O-N 3.14Å; A50-R54 VanDerWaalsContact O-N 3.14Å |
| 51 | A | 88.2 | Confident | 79.5 | Confident | 45 Ų | 45 | 99.4 Ų | 99.4 | 37% | 0.372 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.6 | -41.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | G47 S48 R54 R55 | G47-A51 PolarHBondContact O-N 2.86Å; S48-A51 PolarHBondContact O-N 3.32Å; A51-R54 PolarHBondContact O-N 2.85Å; A51-R55 PolarHBondContact O-N 3.44Å |
| 52 | V | 92.4 | Very high | 81.6 | Confident | 70 Ų | 70 | 101.1 Ų | 101.1 | 42% | 0.424 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.7 | -43.7 | 174.2 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | S48 A49 R54 R55 N56 | S48-V52 WeakPolarHBondContact O-CB 3.09Å; S48-V52 WeakPolarHBondContact O-CG2 3.44Å; S48-V52 PolarHBondContact O-N 3.16Å; A49-V52 PolarHBondContact O-N 3.39Å; V52-R54 PolarHBondContact O-N 3.4Å; V52-R55 WeakPolarHBondContact O-CB 3.47Å; V52-R55 PolarHBondContact O-N 3.28Å; V52-R55 VanDerWaalsContact O-N 3.14Å; V52-N56 WeakPolarHBondContact O-CB 3.26Å; V52-N56 VanDerWaalsContact O-CG 3.3Å; V52-N56 PolarHBondContact O-N 3.44Å; V52-N56 PolarHBondContact O-OD1 3.05Å |
| 53 | A | 93.5 | Very high | 83.8 | Confident | 56 Ų | 56 | 97.6 Ų | 97.6 | 46% | 0.463 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.9 | -47.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A49 R55 N56 E57 | A49-A53 WeakPolarHBondContact O-CB 3.29Å; A49-A53 PolarHBondContact O-N 3.41Å; A53-R55 VanDerWaalsContact C-N 3.32Å; A53-R55 PolarHBondContact O-N 3.39Å; A53-N56 PolarHBondContact O-N 3.24Å; A53-E57 WeakPolarHBondContact O-CB 3.38Å; A53-E57 PolarHBondContact O-N 3.2Å |
| 54 | R | 93.9 | Very high | 85.8 | Confident | 151 Ų | 151 | 99.2 Ų | 99.2 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.4 | -37.7 | 175.2 | -71.8 | -170 | -61.2 | -94.6 | 1.1 | 112.8 | A50 A51 V52 R58 | A50-R54 WeakPolarHBondContact O-CG 3.24Å; A50-R54 PolarHBondContact O-N 3.14Å; A50-R54 VanDerWaalsContact O-N 3.14Å; A51-R54 PolarHBondContact O-N 2.85Å; V52-R54 PolarHBondContact O-N 3.4Å; R54-R58 VanDerWaalsContact O-CG 3.3Å; R54-R58 WeakPolarHBondContact O-CG 3.3Å; R54-R58 PolarHBondContact O-N 2.89Å |
| 55 | R | 95.1 | Very high | 87.7 | Confident | 197 Ų | 197 | 93.2 Ų | 93.2 | 74% | 0.743 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.6 | -45.1 | 176.2 | -178.8 | 179.6 | 175.9 | 140.5 | 0.5 | 111.5 | A51 V52 A53 E57 R58 E59 | A51-R55 PolarHBondContact O-N 3.44Å; V52-R55 WeakPolarHBondContact O-CB 3.47Å; V52-R55 PolarHBondContact O-N 3.28Å; V52-R55 VanDerWaalsContact O-N 3.14Å; A53-R55 VanDerWaalsContact C-N 3.32Å; A53-R55 PolarHBondContact O-N 3.39Å; R55-E57 VanDerWaalsContact C-N 3.29Å; R55-E57 PolarHBondContact O-N 3.39Å; R55-R58 PolarHBondContact O-N 2.86Å; R55-E59 PolarHBondContact O-N 2.92Å; R55-E59 VanDerWaalsContact O-N 3.09Å |
| 56 | N | 97.6 | Very high | 89.7 | Confident | 82 Ų | 82 | 89.8 Ų | 89.8 | 44% | 0.439 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 179.5 | -71.7 | -4.5 | 0 | 0 | 0 | 111.4 | V52 A53 E59 R60 | V52-N56 WeakPolarHBondContact O-CB 3.26Å; V52-N56 VanDerWaalsContact O-CG 3.3Å; V52-N56 PolarHBondContact O-N 3.44Å; V52-N56 PolarHBondContact O-OD1 3.05Å; A53-N56 PolarHBondContact O-N 3.24Å; N56-E59 PolarHBondContact O-N 3.23Å; N56-R60 WeakPolarHBondContact O-CG 3.49Å; N56-R60 PolarHBondContact O-N 3.47Å |
| 57 | E | 95 | Very high | 91.6 | Very high | 85 Ų | 85 | 90.2 Ų | 90.2 | 40% | 0.397 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 177.5 | -166.3 | 52 | -140.4 | 0 | 0 | 112.1 | A53 R55 E59 R60 N61 | A53-E57 WeakPolarHBondContact O-CB 3.38Å; A53-E57 PolarHBondContact O-N 3.2Å; R55-E57 VanDerWaalsContact C-N 3.29Å; R55-E57 PolarHBondContact O-N 3.39Å; E57-E59 VanDerWaalsContact C-N 3.31Å; E57-E59 PolarHBondContact O-N 2.88Å; E57-R60 PolarHBondContact O-N 2.97Å; E57-R60 IonicContact OE2-NH1 3.22Å; E57-R60 PolarHBondContact OE2-NH1 2.93Å; E57-N61 PolarHBondContact O-N 2.9Å |
| 58 | R | 96.7 | Very high | 93.2 | Very high | 185 Ų | 185 | 89.9 Ų | 89.9 | 70% | 0.698 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -59.8 | -42.2 | 172.7 | -69 | 170.3 | -174.5 | -164.7 | -0.9 | 112 | R54 R55 N61 R62 | R54-R58 VanDerWaalsContact O-CG 3.3Å; R54-R58 WeakPolarHBondContact O-CG 3.3Å; R54-R58 PolarHBondContact O-N 2.89Å; R55-R58 PolarHBondContact O-N 2.86Å; R58-N61 PolarHBondContact O-N 3.27Å; R58-R62 WeakPolarHBondContact O-CB 3.29Å; R58-R62 PolarHBondContact O-N 3.47Å |
| 59 | E | 96.8 | Very high | 94.3 | Very high | 88 Ų | 88 | 87.2 Ų | 87.2 | 41% | 0.411 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.3 | -38.3 | 179.1 | -175.7 | 56 | -160.3 | 0 | 0 | 112 | R55 N56 E57 N61 R62 V63 | R55-E59 PolarHBondContact O-N 2.92Å; R55-E59 VanDerWaalsContact O-N 3.09Å; N56-E59 PolarHBondContact O-N 3.23Å; E57-E59 VanDerWaalsContact C-N 3.31Å; E57-E59 PolarHBondContact O-N 2.88Å; E59-N61 VanDerWaalsContact C-N 3.34Å; E59-N61 PolarHBondContact O-N 3.2Å; E59-R62 PolarHBondContact O-N 3.34Å; E59-R62 IonicContact OE1-CZ 3.84Å; E59-R62 IonicContact OE1-NE 2.9Å; E59-R62 PolarHBondContact OE1-NE 3.38Å; E59-R62 VanDerWaalsContact OE1-NE 3.17Å; E59-R62 IonicContact OE1-NH2 3.89Å; E59-R62 PolarHBondContact OE1-NH2 2.99Å; E59-R62 IonicContact OE2-CZ 3.37Å; E59-R62 IonicContact OE2-NE 3.17Å; E59-R62 PolarHBondContact OE2-NE 3.47Å; E59-R62 IonicContact OE2-NH2 2.72Å; E59-V63 HydrophobicContact CG-CG2 4.46Å; E59-V63 WeakPolarHBondContact O-CB 3.37Å; E59-V63 WeakPolarHBondContact O-CG2 3.45Å; E59-V63 PolarHBondContact O-N 3.27Å; E59-V63 WeakPolarHBondContact OE1-CG2 3.36Å |
| 60 | R | 97.6 | Very high | 94.6 | Very high | 167 Ų | 167 | 85.8 Ų | 85.8 | 63% | 0.63 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -58.1 | -46.6 | 171.9 | -74.2 | 175.7 | 178.5 | 160.7 | -4.5 | 111.5 | N56 E57 V63 K64 | N56-R60 WeakPolarHBondContact O-CG 3.49Å; N56-R60 PolarHBondContact O-N 3.47Å; E57-R60 PolarHBondContact O-N 2.97Å; E57-R60 IonicContact OE2-NH1 3.22Å; E57-R60 PolarHBondContact OE2-NH1 2.93Å; R60-V63 PolarHBondContact O-N 2.94Å; R60-K64 WeakPolarHBondContact O-CB 3.39Å; R60-K64 PolarHBondContact O-N 3.47Å |
| 61 | N | 95.8 | Very high | 94.9 | Very high | 45 Ų | 45 | 88.8 Ų | 88.8 | 24% | 0.241 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 178.1 | -72.8 | -23.5 | 0 | 0 | 0 | 112.4 | E57 R58 E59 V63 K64 L65 | E57-N61 PolarHBondContact O-N 2.9Å; R58-N61 PolarHBondContact O-N 3.27Å; E59-N61 VanDerWaalsContact C-N 3.34Å; E59-N61 PolarHBondContact O-N 3.2Å; N61-V63 PolarHBondContact O-N 3.28Å; N61-K64 WeakPolarHBondContact O-CB 3.32Å; N61-K64 PolarHBondContact O-N 3.44Å; N61-L65 PolarHBondContact O-N 3.32Å |
| 62 | R | 96.7 | Very high | 95.1 | Very high | 132 Ų | 132 | 87.3 Ų | 87.3 | 50% | 0.498 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 174.8 | -165.5 | -166.2 | 72.4 | 78.4 | 2.3 | 111.7 | R58 E59 L65 V66 | R58-R62 WeakPolarHBondContact O-CB 3.29Å; R58-R62 PolarHBondContact O-N 3.47Å; E59-R62 PolarHBondContact O-N 3.34Å; E59-R62 IonicContact OE1-CZ 3.84Å; E59-R62 IonicContact OE1-NE 2.9Å; E59-R62 PolarHBondContact OE1-NE 3.38Å; E59-R62 VanDerWaalsContact OE1-NE 3.17Å; E59-R62 IonicContact OE1-NH2 3.89Å; E59-R62 PolarHBondContact OE1-NH2 2.99Å; E59-R62 IonicContact OE2-CZ 3.37Å; E59-R62 IonicContact OE2-NE 3.17Å; E59-R62 PolarHBondContact OE2-NE 3.47Å; E59-R62 IonicContact OE2-NH2 2.72Å; R62-L65 WeakPolarHBondContact O-CB 3.37Å; R62-L65 PolarHBondContact O-N 3.03Å; R62-V66 WeakPolarHBondContact O-CG2 3.47Å; R62-V66 PolarHBondContact O-N 3.05Å; R62-V66 VanDerWaalsContact O-N 3.13Å |
| 63 | V | 97.1 | Very high | 95.3 | Very high | 52 Ų | 52 | 86.7 Ų | 86.7 | 32% | 0.315 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.5 | -37.6 | 178.4 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | E59 R60 N61 L65 V66 N67 | E59-V63 HydrophobicContact CG-CG2 4.46Å; E59-V63 WeakPolarHBondContact O-CB 3.37Å; E59-V63 WeakPolarHBondContact O-CG2 3.45Å; E59-V63 PolarHBondContact O-N 3.27Å; E59-V63 WeakPolarHBondContact OE1-CG2 3.36Å; R60-V63 PolarHBondContact O-N 2.94Å; N61-V63 PolarHBondContact O-N 3.28Å; V63-L65 VanDerWaalsContact C-N 3.35Å; V63-L65 PolarHBondContact O-N 3.49Å; V63-V66 PolarHBondContact O-N 2.99Å; V63-N67 WeakPolarHBondContact O-CB 3.49Å; V63-N67 PolarHBondContact O-N 3.29Å; V63-N67 PolarHBondContact O-ND2 2.98Å |
| 64 | K | 94.9 | Very high | 95.4 | Very high | 113 Ų | 113 | 86 Ų | 86 | 49% | 0.491 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.7 | -48 | 173.5 | -175.3 | -178.2 | 176.5 | -175.8 | 0 | 110.7 | R60 N61 V66 N67 L68 | R60-K64 WeakPolarHBondContact O-CB 3.39Å; R60-K64 PolarHBondContact O-N 3.47Å; N61-K64 WeakPolarHBondContact O-CB 3.32Å; N61-K64 PolarHBondContact O-N 3.44Å; K64-V66 PolarHBondContact O-N 2.69Å; K64-N67 PolarHBondContact O-N 3.33Å; K64-L68 HydrophobicContact CG-CD1 4.35Å; K64-L68 WeakPolarHBondContact O-CG 3.33Å; K64-L68 PolarHBondContact O-N 3.39Å |
| 65 | L | 92.4 | Very high | 95.4 | Very high | 55 Ų | 55 | 84.7 Ų | 84.7 | 29% | 0.288 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.6 | -47.6 | 175.3 | -83 | 165.4 | 0 | 0 | 0 | 112.7 | N61 R62 V63 N67 L68 G69 L183 F186 | N61-L65 PolarHBondContact O-N 3.32Å; R62-L65 WeakPolarHBondContact O-CB 3.37Å; R62-L65 PolarHBondContact O-N 3.03Å; V63-L65 VanDerWaalsContact C-N 3.35Å; V63-L65 PolarHBondContact O-N 3.49Å; L65-N67 VanDerWaalsContact C-N 3.29Å; L65-N67 PolarHBondContact O-N 3.26Å; L65-L68 PolarHBondContact O-N 3.41Å; L65-G69 PolarHBondContact O-N 3.27Å; L65-L183 HydrophobicContact CD1-CD1 3.63Å; L65-L183 HydrophobicContact CD2-CD1 3.59Å; L65-L183 HydrophobicContact CG-CD1 3.32Å; L65-F186 HydrophobicContact CD2-CB 3.9Å |
| 66 | V | 96.1 | Very high | 95.3 | Very high | 61 Ų | 61 | 80.4 Ų | 80.4 | 37% | 0.37 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 178 | 172 | 0 | 0 | 0 | 0 | 110.8 | R62 V63 K64 G69 F70 | R62-V66 WeakPolarHBondContact O-CG2 3.47Å; R62-V66 PolarHBondContact O-N 3.05Å; R62-V66 VanDerWaalsContact O-N 3.13Å; V63-V66 PolarHBondContact O-N 2.99Å; K64-V66 PolarHBondContact O-N 2.69Å; V66-G69 PolarHBondContact O-N 3.13Å; V66-F70 HydrophobicContact CG1-CD2 4.03Å; V66-F70 HydrophobicContact CG1-CE2 4.16Å; V66-F70 WeakPolarHBondContact O-CD2 3.33Å; V66-F70 PolarHBondContact O-N 2.8Å |
| 67 | N | 95.8 | Very high | 95.2 | Very high | 60 Ų | 60 | 77 Ų | 77 | 32% | 0.321 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.4 | -35.5 | -179.9 | -71.2 | -21.7 | 0 | 0 | 0 | 112.4 | V63 K64 L65 F70 Q71 K88 | V63-N67 WeakPolarHBondContact O-CB 3.49Å; V63-N67 PolarHBondContact O-N 3.29Å; V63-N67 PolarHBondContact O-ND2 2.98Å; K64-N67 PolarHBondContact O-N 3.33Å; L65-N67 VanDerWaalsContact C-N 3.29Å; L65-N67 PolarHBondContact O-N 3.26Å; N67-F70 PolarHBondContact O-N 3.26Å; N67-Q71 WeakPolarHBondContact O-CG 3.35Å; N67-Q71 PolarHBondContact O-N 3.12Å; N67-K88 PolarHBondContact OD1-NZ 3.01Å |
| 68 | L | 94.3 | Very high | 95.1 | Very high | 48 Ų | 48 | 75 Ų | 75 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 171.4 | -73 | 171.3 | 0 | 0 | 0 | 111.1 | K64 L65 F70 Q71 A72 L190 | K64-L68 HydrophobicContact CG-CD1 4.35Å; K64-L68 WeakPolarHBondContact O-CG 3.33Å; K64-L68 PolarHBondContact O-N 3.39Å; L65-L68 PolarHBondContact O-N 3.41Å; L68-F70 VanDerWaalsContact C-N 3.27Å; L68-F70 PolarHBondContact O-N 3.29Å; L68-Q71 WeakPolarHBondContact O-CA 3.4Å; L68-Q71 WeakPolarHBondContact O-CB 3.23Å; L68-Q71 PolarHBondContact O-N 3.11Å; L68-A72 PolarHBondContact O-N 3.32Å; L68-L190 HydrophobicContact CB-CD1 3.94Å |
| 69 | G | 94.3 | Very high | 94.7 | Very high | 30 Ų | 30 | 73.4 Ų | 73.4 | 31% | 0.309 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58 | -39 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L65 V66 Q71 A72 L73 | L65-G69 PolarHBondContact O-N 3.27Å; V66-G69 PolarHBondContact O-N 3.13Å; G69-Q71 VanDerWaalsContact C-N 3.33Å; G69-Q71 PolarHBondContact O-N 3.16Å; G69-A72 PolarHBondContact O-N 3.4Å; G69-L73 WeakPolarHBondContact O-CB 3.24Å; G69-L73 PolarHBondContact O-N 2.75Å |
| 70 | F | 95.4 | Very high | 94.1 | Very high | 34 Ų | 34 | 69.5 Ų | 69.5 | 15% | 0.149 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.2 | -31 | 172.7 | -96.3 | -80.2 | 0 | 0 | 0 | 113.6 | V66 N67 L68 R74 K88 T91 L92 | V66-F70 HydrophobicContact CG1-CD2 4.03Å; V66-F70 HydrophobicContact CG1-CE2 4.16Å; V66-F70 WeakPolarHBondContact O-CD2 3.33Å; V66-F70 PolarHBondContact O-N 2.8Å; N67-F70 PolarHBondContact O-N 3.26Å; L68-F70 VanDerWaalsContact C-N 3.27Å; L68-F70 PolarHBondContact O-N 3.29Å; F70-R74 WeakPolarHBondContact O-CG 3.36Å; F70-R74 PolarHBondContact O-N 3.35Å; F70-R74 PolarHBondContact O-NH1 3.39Å; F70-K88 HydrophobicContact CD1-CB 4.32Å; F70-K88 HydrophobicContact CD1-CG 4.05Å; F70-K88 HydrophobicContact CD2-CD 4.45Å; F70-K88 HydrophobicContact CD2-CG 4.5Å; F70-K88 HydrophobicContact CE1-CB 3.69Å; F70-K88 HydrophobicContact CE1-CG 3.86Å; F70-K88 HydrophobicContact CE2-CD 4.15Å; F70-K88 HydrophobicContact CE2-CG 4.32Å; F70-K88 HydrophobicContact CG-CG 4.37Å; F70-K88 HydrophobicContact CZ-CB 3.89Å; F70-K88 HydrophobicContact CZ-CD 4.19Å; F70-K88 HydrophobicContact CZ-CG 4Å; F70-T91 HydrophobicContact CD1-CG2 4.33Å; F70-L92 HydrophobicContact CE1-CD1 4.45Å; F70-L92 HydrophobicContact CE1-CD2 4.13Å; F70-L92 HydrophobicContact CE1-CG 3.97Å; F70-L92 HydrophobicContact CZ-CD1 4.15Å; F70-L92 HydrophobicContact CZ-CD2 4.17Å; F70-L92 HydrophobicContact CZ-CG 4.11Å |
| 71 | Q | 93.7 | Very high | 93.3 | Very high | 108 Ų | 108 | 65.3 Ų | 65.3 | 51% | 0.505 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -72 | -46.5 | 175.2 | -72.6 | 178.4 | 13.9 | 0 | 0 | 111 | N67 L68 G69 L73 R74 Q75 | N67-Q71 WeakPolarHBondContact O-CG 3.35Å; N67-Q71 PolarHBondContact O-N 3.12Å; L68-Q71 WeakPolarHBondContact O-CA 3.4Å; L68-Q71 WeakPolarHBondContact O-CB 3.23Å; L68-Q71 PolarHBondContact O-N 3.11Å; G69-Q71 VanDerWaalsContact C-N 3.33Å; G69-Q71 PolarHBondContact O-N 3.16Å; Q71-L73 VanDerWaalsContact C-N 3.31Å; Q71-L73 PolarHBondContact O-N 2.96Å; Q71-R74 WeakPolarHBondContact O-CB 3.32Å; Q71-R74 PolarHBondContact O-N 3.32Å; Q71-Q75 PolarHBondContact O-N 3.37Å |
| 72 | A | 92.9 | Very high | 92.6 | Very high | 14 Ų | 14 | 65.6 Ų | 65.6 | 12% | 0.116 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | L68 G69 R74 Q75 H76 L190 | L68-A72 PolarHBondContact O-N 3.32Å; G69-A72 PolarHBondContact O-N 3.4Å; A72-R74 VanDerWaalsContact C-N 3.25Å; A72-R74 PolarHBondContact O-N 2.94Å; A72-Q75 WeakPolarHBondContact O-CB 3.49Å; A72-Q75 PolarHBondContact O-N 3.34Å; A72-H76 PolarHBondContact O-CD2 2.92Å; A72-H76 VanDerWaalsContact O-CD2 3.28Å; A72-L190 HydrophobicContact CB-CB 4.48Å; A72-L190 HydrophobicContact CB-CD2 3.66Å |
| 73 | L | 95.3 | Very high | 91.5 | Very high | 58 Ų | 58 | 65.9 Ų | 65.9 | 30% | 0.304 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.3 | -38.8 | 175.6 | -178 | 58.7 | 0 | 0 | 0 | 112.2 | G69 Q71 Q75 H76 V77 T91 L92 A95 | G69-L73 WeakPolarHBondContact O-CB 3.24Å; G69-L73 PolarHBondContact O-N 2.75Å; Q71-L73 VanDerWaalsContact C-N 3.31Å; Q71-L73 PolarHBondContact O-N 2.96Å; L73-Q75 PolarHBondContact O-N 3.03Å; L73-H76 PolarHBondContact O-N 2.92Å; L73-H76 VanDerWaalsContact O-N 3.13Å; L73-V77 HydrophobicContact CD1-CG2 3.9Å; L73-V77 HydrophobicContact CG-CG2 4.06Å; L73-V77 VanDerWaalsContact O-CG2 3.23Å; L73-V77 WeakPolarHBondContact O-CG2 3.48Å; L73-V77 PolarHBondContact O-N 3.41Å; L73-T91 HydrophobicContact CB-CG2 4.35Å; L73-T91 HydrophobicContact CD2-CG2 3.77Å; L73-T91 HydrophobicContact CG-CG2 3.82Å; L73-L92 HydrophobicContact CD2-CD2 4.33Å; L73-A95 HydrophobicContact CD1-CB 4.16Å; L73-A95 HydrophobicContact CD2-CB 4.41Å |
| 74 | R | 95.6 | Very high | 91 | Very high | 40 Ų | 40 | 72 Ų | 72 | 15% | 0.151 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.4 | -26.8 | 177.3 | -74.9 | 178.7 | -169.2 | 107.3 | -7.1 | 113.2 | F70 Q71 A72 H76 G80 L86 T91 | F70-R74 WeakPolarHBondContact O-CG 3.36Å; F70-R74 PolarHBondContact O-N 3.35Å; F70-R74 PolarHBondContact O-NH1 3.39Å; Q71-R74 WeakPolarHBondContact O-CB 3.32Å; Q71-R74 PolarHBondContact O-N 3.32Å; A72-R74 VanDerWaalsContact C-N 3.25Å; A72-R74 PolarHBondContact O-N 2.94Å; R74-H76 PolarHBondContact O-N 3.12Å; R74-G80 CarbonylContact O-C 3.32Å; R74-G80 WeakPolarHBondContact O-CA 3.38Å; R74-L86 VanDerWaalsContact CZ-O 3.29Å; R74-L86 PolarHBondContact NE-O 3.47Å; R74-L86 PolarHBondContact NH2-O 2.99Å; R74-T91 HydrophobicContact CG-CG2 3.81Å |
| 75 | Q | 93.6 | Very high | 90.6 | Very high | 124 Ų | 124 | 74.5 Ų | 74.5 | 58% | 0.579 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -67.5 | -25.9 | 176.4 | -64.4 | 169.7 | -42.5 | 0 | 0 | 111.9 | Q71 A72 L73 | Q71-Q75 PolarHBondContact O-N 3.37Å; A72-Q75 WeakPolarHBondContact O-CB 3.49Å; A72-Q75 PolarHBondContact O-N 3.34Å; L73-Q75 PolarHBondContact O-N 3.03Å |
| 76 | H | 93.9 | Very high | 90.7 | Very high | 108 Ų | 108 | 73.4 Ų | 73.4 | 50% | 0.5 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -103.1 | -3 | -177 | -60.1 | -64.7 | 0 | 0 | 0 | 114.4 | A72 L73 R74 Y98 | A72-H76 PolarHBondContact O-CD2 2.92Å; A72-H76 VanDerWaalsContact O-CD2 3.28Å; L73-H76 PolarHBondContact O-N 2.92Å; L73-H76 VanDerWaalsContact O-N 3.13Å; R74-H76 PolarHBondContact O-N 3.12Å; H76-Y98 WeakPolarHBondContact O-CD1 3.4Å; H76-Y98 VanDerWaalsContact O-CE1 3.28Å; H76-Y98 WeakPolarHBondContact O-CE1 3.44Å |
| 77 | V | 95.1 | Very high | 90.7 | Very high | 10 Ų | 10 | 73 Ų | 73 | 6% | 0.061 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -103.1 | 137.8 | -178.6 | 174 | 0 | 0 | 0 | 0 | 109.3 | L73 H79 G80 L86 S94 A95 | L73-V77 HydrophobicContact CD1-CG2 3.9Å; L73-V77 HydrophobicContact CG-CG2 4.06Å; L73-V77 VanDerWaalsContact O-CG2 3.23Å; L73-V77 WeakPolarHBondContact O-CG2 3.48Å; L73-V77 PolarHBondContact O-N 3.41Å; V77-H79 PolarHBondContact O-N 3.16Å; V77-G80 PolarHBondContact O-N 2.86Å; V77-L86 HydrophobicContact CG1-CD1 4.43Å; V77-S94 VanDerWaalsContact CG1-CB 3.45Å; V77-S94 WeakPolarHBondContact CG1-OG 3.43Å; V77-A95 HydrophobicContact CG2-CB 3.73Å |
| 78 | P | 93.8 | Very high | 90.7 | Very high | 44 Ų | 44 | 74.8 Ų | 74.8 | 29% | 0.286 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 135 | 176.3 | -27.5 | 35 | 0 | 0 | 0 | 111.6 | G80 Y98 | P78-G80 PolarHBondContact O-N 2.92Å; P78-G80 VanDerWaalsContact O-N 3.12Å; P78-Y98 VanDerWaalsContact CD-CG 3.46Å; P78-Y98 HydrophobicContact CG-CD1 4.11Å; P78-Y98 HydrophobicContact CG-CD2 3.45Å; P78-Y98 VanDerWaalsContact CG-CD2 3.45Å; P78-Y98 HydrophobicContact CG-CE1 4.36Å; P78-Y98 HydrophobicContact CG-CE2 3.76Å; P78-Y98 HydrophobicContact CG-CG 3.65Å |
| 79 | H | 86.9 | Confident | 90.9 | Very high | 151 Ų | 151 | 76.2 Ų | 76.2 | 70% | 0.699 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 6.2 | -176.3 | -41.8 | 90.1 | 0 | 0 | 0 | 115.4 | V77 G81 A82 | V77-H79 PolarHBondContact O-N 3.16Å; H79-G81 VanDerWaalsContact C-N 3.35Å; H79-G81 PolarHBondContact O-N 3.06Å; H79-A82 VanDerWaalsContact O-CB 3.3Å; H79-A82 WeakPolarHBondContact O-CB 3.48Å; H79-A82 PolarHBondContact O-N 2.96Å |
| 80 | G | 85.3 | Confident | 91 | Very high | 6 Ų | 6 | 79.5 Ų | 79.5 | 6% | 0.062 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -24.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R74 V77 P78 | R74-G80 CarbonylContact O-C 3.32Å; R74-G80 WeakPolarHBondContact O-CA 3.38Å; V77-G80 PolarHBondContact O-N 2.86Å; P78-G80 PolarHBondContact O-N 2.92Å; P78-G80 VanDerWaalsContact O-N 3.12Å |
| 81 | G | 80.4 | Confident | 91.1 | Very high | 78 Ų | 78 | 77.9 Ų | 77.9 | 80% | 0.804 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 6.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | H79 | H79-G81 VanDerWaalsContact C-N 3.35Å; H79-G81 PolarHBondContact O-N 3.06Å |
| 82 | A | 81.6 | Confident | 91.3 | Very high | 51 Ų | 51 | 77 Ų | 77 | 42% | 0.421 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -64.8 | 159.3 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | H79 K84 | H79-A82 VanDerWaalsContact O-CB 3.3Å; H79-A82 WeakPolarHBondContact O-CB 3.48Å; H79-A82 PolarHBondContact O-N 2.96Å; A82-K84 CarbonylContact O-C 3.44Å; A82-K84 PolarHBondContact O-N 2.65Å |
| 83 | S | 73.2 | Confident | 91.5 | Very high | 139 Ų | 139 | 84.1 Ų | 84.1 | 97% | 0.972 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -51 | -32.5 | 178.1 | -178.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 84 | K | 86 | Confident | 91.6 | Very high | 180 Ų | 180 | 82.5 Ų | 82.5 | 78% | 0.783 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -96.1 | 113.4 | 169.2 | -168.7 | 176 | -179.6 | -177.4 | 0 | 110.8 | A82 L86 | A82-K84 CarbonylContact O-C 3.44Å; A82-K84 PolarHBondContact O-N 2.65Å; K84-L86 PolarHBondContact O-N 2.98Å |
| 85 | K | 87.8 | Confident | 91.7 | Very high | 165 Ų | 165 | 81.2 Ų | 81.2 | 72% | 0.717 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 128.3 | 176 | -61.6 | 179.2 | -177.5 | 179.2 | 0 | 110.8 | ||
| 86 | L | 93.1 | Very high | 91.9 | Very high | 33 Ų | 33 | 78.7 Ų | 78.7 | 17% | 0.173 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -61 | 143 | 173.5 | -64.1 | 177.4 | 0 | 0 | 0 | 111.8 | R74 V77 K84 E90 T91 | R74-L86 VanDerWaalsContact CZ-O 3.29Å; R74-L86 PolarHBondContact NE-O 3.47Å; R74-L86 PolarHBondContact NH2-O 2.99Å; V77-L86 HydrophobicContact CG1-CD1 4.43Å; K84-L86 PolarHBondContact O-N 2.98Å; L86-E90 HydrophobicContact CB-CB 4.3Å; L86-E90 HydrophobicContact CD2-CB 4.38Å; L86-T91 WeakPolarHBondContact CB-OG1 3.28Å |
| 87 | S | 96.3 | Very high | 92.2 | Very high | 52 Ų | 52 | 79.3 Ų | 79.3 | 36% | 0.364 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 164.2 | 171 | 71.2 | 0 | 0 | 0 | 0 | 111.8 | V89 E90 T91 | S87-V89 VanDerWaalsContact C-N 3.3Å; S87-V89 PolarHBondContact O-N 3.2Å; S87-E90 WeakPolarHBondContact CB-OE2 3.22Å; S87-E90 PolarHBondContact N-OE2 3.28Å; S87-E90 PolarHBondContact O-N 3.13Å; S87-E90 WeakPolarHBondContact OG-CB 3.27Å; S87-E90 WeakPolarHBondContact OG-CG 3.39Å; S87-E90 PolarHBondContact OG-N 3.23Å; S87-E90 PolarHBondContact OG-OE2 2.99Å; S87-T91 WeakPolarHBondContact O-CB 3.36Å; S87-T91 PolarHBondContact O-N 3.18Å; S87-T91 PolarHBondContact O-OG1 3.38Å |
| 88 | K | 96.8 | Very high | 92.3 | Very high | 97 Ų | 97 | 83.3 Ų | 83.3 | 42% | 0.422 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -56.2 | -44.1 | 179.7 | -69.3 | -173.9 | 176.4 | -175.6 | 0 | 112.1 | N67 F70 L92 | N67-K88 PolarHBondContact OD1-NZ 3.01Å; F70-K88 HydrophobicContact CD1-CB 4.32Å; F70-K88 HydrophobicContact CD1-CG 4.05Å; F70-K88 HydrophobicContact CD2-CD 4.45Å; F70-K88 HydrophobicContact CD2-CG 4.5Å; F70-K88 HydrophobicContact CE1-CB 3.69Å; F70-K88 HydrophobicContact CE1-CG 3.86Å; F70-K88 HydrophobicContact CE2-CD 4.15Å; F70-K88 HydrophobicContact CE2-CG 4.32Å; F70-K88 HydrophobicContact CG-CG 4.37Å; F70-K88 HydrophobicContact CZ-CB 3.89Å; F70-K88 HydrophobicContact CZ-CD 4.19Å; F70-K88 HydrophobicContact CZ-CG 4Å; K88-L92 VanDerWaalsContact O-CG 3.3Å; K88-L92 WeakPolarHBondContact O-CG 3.49Å; K88-L92 PolarHBondContact O-N 2.92Å; K88-L92 VanDerWaalsContact O-N 3.1Å |
| 89 | V | 97.8 | Very high | 92.5 | Very high | 79 Ų | 79 | 85.7 Ų | 85.7 | 48% | 0.479 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.2 | -43.2 | -179.5 | 176.6 | 0 | 0 | 0 | 0 | 111 | S87 L92 R93 | S87-V89 VanDerWaalsContact C-N 3.3Å; S87-V89 PolarHBondContact O-N 3.2Å; V89-L92 PolarHBondContact O-N 2.74Å; V89-R93 HydrophobicContact CG1-CG 4.42Å; V89-R93 WeakPolarHBondContact O-CG 3.48Å; V89-R93 PolarHBondContact O-N 3.24Å |
| 90 | E | 96.7 | Very high | 93.1 | Very high | 99 Ų | 99 | 85.9 Ų | 85.9 | 46% | 0.463 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 177.2 | -70.4 | 163.6 | 148.5 | 0 | 0 | 111.8 | L86 S87 L92 R93 S94 | L86-E90 HydrophobicContact CB-CB 4.3Å; L86-E90 HydrophobicContact CD2-CB 4.38Å; S87-E90 WeakPolarHBondContact CB-OE2 3.22Å; S87-E90 PolarHBondContact N-OE2 3.28Å; S87-E90 PolarHBondContact O-N 3.13Å; S87-E90 WeakPolarHBondContact OG-CB 3.27Å; S87-E90 WeakPolarHBondContact OG-CG 3.39Å; S87-E90 PolarHBondContact OG-N 3.23Å; S87-E90 PolarHBondContact OG-OE2 2.99Å; E90-L92 VanDerWaalsContact C-N 3.32Å; E90-L92 PolarHBondContact O-N 2.78Å; E90-R93 PolarHBondContact O-N 3.17Å; E90-S94 VanDerWaalsContact O-CB 3.29Å; E90-S94 WeakPolarHBondContact O-CB 3.46Å; E90-S94 PolarHBondContact O-N 3.43Å |
| 91 | T | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 87.3 Ų | 87.3 | 0% | 0 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -58.2 | -44.8 | 175.6 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | F70 L73 R74 L86 S87 A95 | F70-T91 HydrophobicContact CD1-CG2 4.33Å; L73-T91 HydrophobicContact CB-CG2 4.35Å; L73-T91 HydrophobicContact CD2-CG2 3.77Å; L73-T91 HydrophobicContact CG-CG2 3.82Å; R74-T91 HydrophobicContact CG-CG2 3.81Å; L86-T91 WeakPolarHBondContact CB-OG1 3.28Å; S87-T91 WeakPolarHBondContact O-CB 3.36Å; S87-T91 PolarHBondContact O-N 3.18Å; S87-T91 PolarHBondContact O-OG1 3.38Å; T91-A95 VanDerWaalsContact O-CB 3.3Å; T91-A95 WeakPolarHBondContact O-CB 3.43Å; T91-A95 PolarHBondContact O-N 3.43Å |
| 92 | L | 98.1 | Very high | 94.5 | Very high | 89 Ų | 89 | 87 Ų | 87 | 47% | 0.466 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 178.4 | -68.5 | 176.4 | 0 | 0 | 0 | 112.5 | F70 L73 K88 V89 E90 A95 V96 | F70-L92 HydrophobicContact CE1-CD1 4.45Å; F70-L92 HydrophobicContact CE1-CD2 4.13Å; F70-L92 HydrophobicContact CE1-CG 3.97Å; F70-L92 HydrophobicContact CZ-CD1 4.15Å; F70-L92 HydrophobicContact CZ-CD2 4.17Å; F70-L92 HydrophobicContact CZ-CG 4.11Å; L73-L92 HydrophobicContact CD2-CD2 4.33Å; K88-L92 VanDerWaalsContact O-CG 3.3Å; K88-L92 WeakPolarHBondContact O-CG 3.49Å; K88-L92 PolarHBondContact O-N 2.92Å; K88-L92 VanDerWaalsContact O-N 3.1Å; V89-L92 PolarHBondContact O-N 2.74Å; E90-L92 VanDerWaalsContact C-N 3.32Å; E90-L92 PolarHBondContact O-N 2.78Å; L92-A95 PolarHBondContact O-N 3.09Å; L92-V96 WeakPolarHBondContact O-CG2 3.47Å; L92-V96 PolarHBondContact O-N 3.37Å |
| 93 | R | 97.9 | Very high | 95.3 | Very high | 164 Ų | 164 | 90.3 Ų | 90.3 | 62% | 0.619 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60.3 | -50.1 | 177.8 | -73.4 | 176.5 | -179.4 | 172 | 0.5 | 111 | V89 E90 A95 V96 E97 | V89-R93 HydrophobicContact CG1-CG 4.42Å; V89-R93 WeakPolarHBondContact O-CG 3.48Å; V89-R93 PolarHBondContact O-N 3.24Å; E90-R93 PolarHBondContact O-N 3.17Å; R93-A95 VanDerWaalsContact C-N 3.34Å; R93-A95 PolarHBondContact O-N 3.42Å; R93-V96 PolarHBondContact O-N 3.02Å; R93-E97 WeakPolarHBondContact O-CG 3.3Å; R93-E97 PolarHBondContact O-N 3.05Å |
| 94 | S | 97.2 | Very high | 96.5 | Very high | 24 Ų | 24 | 91 Ų | 91 | 17% | 0.168 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.3 | -35.6 | -179.1 | -173.6 | 0 | 0 | 0 | 0 | 112.3 | V77 E90 E97 Y98 | V77-S94 VanDerWaalsContact CG1-CB 3.45Å; V77-S94 WeakPolarHBondContact CG1-OG 3.43Å; E90-S94 VanDerWaalsContact O-CB 3.29Å; E90-S94 WeakPolarHBondContact O-CB 3.46Å; E90-S94 PolarHBondContact O-N 3.43Å; S94-E97 PolarHBondContact O-N 3.48Å; S94-Y98 VanDerWaalsContact O-CB 3.24Å; S94-Y98 WeakPolarHBondContact O-CB 3.44Å; S94-Y98 PolarHBondContact O-N 3.13Å |
| 95 | A | 98.1 | Very high | 97.1 | Very high | 13 Ų | 13 | 87.3 Ų | 87.3 | 11% | 0.107 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L73 V77 T91 L92 R93 Y98 I99 | L73-A95 HydrophobicContact CD1-CB 4.16Å; L73-A95 HydrophobicContact CD2-CB 4.41Å; V77-A95 HydrophobicContact CG2-CB 3.73Å; T91-A95 VanDerWaalsContact O-CB 3.3Å; T91-A95 WeakPolarHBondContact O-CB 3.43Å; T91-A95 PolarHBondContact O-N 3.43Å; L92-A95 PolarHBondContact O-N 3.09Å; R93-A95 VanDerWaalsContact C-N 3.34Å; R93-A95 PolarHBondContact O-N 3.42Å; A95-Y98 PolarHBondContact O-N 3.33Å; A95-I99 VanDerWaalsContact O-CG1 3.32Å; A95-I99 WeakPolarHBondContact O-CG1 3.37Å; A95-I99 PolarHBondContact O-N 3.33Å |
| 96 | V | 98.3 | Very high | 97.5 | Very high | 71 Ų | 71 | 84.4 Ų | 84.4 | 43% | 0.43 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.6 | -44 | 178.5 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | L92 R93 Y98 R100 | L92-V96 WeakPolarHBondContact O-CG2 3.47Å; L92-V96 PolarHBondContact O-N 3.37Å; R93-V96 PolarHBondContact O-N 3.02Å; V96-Y98 VanDerWaalsContact C-N 3.33Å; V96-R100 WeakPolarHBondContact O-CG 3.3Å; V96-R100 PolarHBondContact O-N 3.37Å; V96-R100 VanDerWaalsContact O-N 3.16Å |
| 97 | E | 98.2 | Very high | 97.7 | Very high | 120 Ų | 120 | 85.6 Ų | 85.6 | 56% | 0.561 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.7 | -41.2 | 176.8 | -72.2 | 169.2 | -173.1 | 0 | 0 | 111.8 | R93 S94 R100 A101 | R93-E97 WeakPolarHBondContact O-CG 3.3Å; R93-E97 PolarHBondContact O-N 3.05Å; S94-E97 PolarHBondContact O-N 3.48Å; E97-R100 PolarHBondContact O-N 2.93Å; E97-A101 WeakPolarHBondContact O-CB 3.11Å; E97-A101 PolarHBondContact O-N 3.3Å |
| 98 | Y | 98.3 | Very high | 97.6 | Very high | 94 Ų | 94 | 88.9 Ų | 88.9 | 37% | 0.369 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | -179.9 | -171.8 | -135.3 | 0 | 0 | 0 | 112.1 | H76 P78 S94 A95 V96 R100 A101 L102 | H76-Y98 WeakPolarHBondContact O-CD1 3.4Å; H76-Y98 VanDerWaalsContact O-CE1 3.28Å; H76-Y98 WeakPolarHBondContact O-CE1 3.44Å; P78-Y98 VanDerWaalsContact CD-CG 3.46Å; P78-Y98 HydrophobicContact CG-CD1 4.11Å; P78-Y98 HydrophobicContact CG-CD2 3.45Å; P78-Y98 VanDerWaalsContact CG-CD2 3.45Å; P78-Y98 HydrophobicContact CG-CE1 4.36Å; P78-Y98 HydrophobicContact CG-CE2 3.76Å; P78-Y98 HydrophobicContact CG-CG 3.65Å; S94-Y98 VanDerWaalsContact O-CB 3.24Å; S94-Y98 WeakPolarHBondContact O-CB 3.44Å; S94-Y98 PolarHBondContact O-N 3.13Å; A95-Y98 PolarHBondContact O-N 3.33Å; V96-Y98 VanDerWaalsContact C-N 3.33Å; Y98-R100 VanDerWaalsContact C-N 3.31Å; Y98-R100 PolarHBondContact O-N 3.25Å; Y98-A101 WeakPolarHBondContact O-CB 3.42Å; Y98-A101 PolarHBondContact O-N 3.29Å; Y98-A101 VanDerWaalsContact O-N 3.12Å; Y98-L102 HydrophobicContact CD1-CD1 4.09Å; Y98-L102 HydrophobicContact CD2-CD1 4.45Å; Y98-L102 HydrophobicContact CD2-CG 4.2Å; Y98-L102 HydrophobicContact CE1-CD1 3.79Å; Y98-L102 HydrophobicContact CE1-CG 4.46Å; Y98-L102 HydrophobicContact CE2-CD1 4.16Å; Y98-L102 HydrophobicContact CE2-CD2 3.89Å; Y98-L102 HydrophobicContact CE2-CG 3.93Å; Y98-L102 HydrophobicContact CG-CD1 4.42Å; Y98-L102 WeakPolarHBondContact O-CG 3.4Å; Y98-L102 PolarHBondContact O-N 3.47Å |
| 99 | I | 98.3 | Very high | 97.6 | Very high | 95 Ų | 95 | 89.6 Ų | 89.6 | 49% | 0.487 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -56.5 | -47.2 | 173.7 | -67.5 | 165.2 | 0 | 0 | 0 | 110.5 | A95 A101 L102 Q103 | A95-I99 VanDerWaalsContact O-CG1 3.32Å; A95-I99 WeakPolarHBondContact O-CG1 3.37Å; A95-I99 PolarHBondContact O-N 3.33Å; I99-A101 VanDerWaalsContact C-N 3.31Å; I99-A101 PolarHBondContact O-N 3.01Å; I99-L102 PolarHBondContact O-N 3.28Å; I99-Q103 HydrophobicContact CG2-CG 4.4Å; I99-Q103 WeakPolarHBondContact O-CB 3.39Å; I99-Q103 VanDerWaalsContact O-CG 3.29Å; I99-Q103 WeakPolarHBondContact O-CG 3.42Å; I99-Q103 PolarHBondContact O-N 3.47Å |
| 100 | R | 98.5 | Very high | 97.4 | Very high | 155 Ų | 155 | 89.7 Ų | 89.7 | 59% | 0.585 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.2 | -35.6 | 177.9 | -70.6 | 172.9 | 177.9 | 173.3 | -0.6 | 112.7 | V96 E97 Y98 R104 | V96-R100 WeakPolarHBondContact O-CG 3.3Å; V96-R100 PolarHBondContact O-N 3.37Å; V96-R100 VanDerWaalsContact O-N 3.16Å; E97-R100 PolarHBondContact O-N 2.93Å; Y98-R100 VanDerWaalsContact C-N 3.31Å; Y98-R100 PolarHBondContact O-N 3.25Å; R100-R104 WeakPolarHBondContact O-CG 3.47Å; R100-R104 PolarHBondContact O-N 3.32Å; R100-R104 PolarHBondContact O-NE 2.91Å |
| 101 | A | 98.2 | Very high | 97.1 | Very high | 36 Ų | 36 | 87.7 Ų | 87.7 | 30% | 0.298 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.6 | -45.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E97 Y98 I99 Q103 R104 L105 | E97-A101 WeakPolarHBondContact O-CB 3.11Å; E97-A101 PolarHBondContact O-N 3.3Å; Y98-A101 WeakPolarHBondContact O-CB 3.42Å; Y98-A101 PolarHBondContact O-N 3.29Å; Y98-A101 VanDerWaalsContact O-N 3.12Å; I99-A101 VanDerWaalsContact C-N 3.31Å; I99-A101 PolarHBondContact O-N 3.01Å; A101-Q103 PolarHBondContact O-N 3.36Å; A101-R104 PolarHBondContact O-N 2.96Å; A101-L105 PolarHBondContact O-N 3.42Å |
| 102 | L | 98.3 | Very high | 96.9 | Very high | 72 Ų | 72 | 92.5 Ų | 92.5 | 38% | 0.377 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 177 | -66.7 | 176.4 | 0 | 0 | 0 | 112 | Y98 I99 R104 L105 L106 | Y98-L102 HydrophobicContact CD1-CD1 4.09Å; Y98-L102 HydrophobicContact CD2-CD1 4.45Å; Y98-L102 HydrophobicContact CD2-CG 4.2Å; Y98-L102 HydrophobicContact CE1-CD1 3.79Å; Y98-L102 HydrophobicContact CE1-CG 4.46Å; Y98-L102 HydrophobicContact CE2-CD1 4.16Å; Y98-L102 HydrophobicContact CE2-CD2 3.89Å; Y98-L102 HydrophobicContact CE2-CG 3.93Å; Y98-L102 HydrophobicContact CG-CD1 4.42Å; Y98-L102 WeakPolarHBondContact O-CG 3.4Å; Y98-L102 PolarHBondContact O-N 3.47Å; I99-L102 PolarHBondContact O-N 3.28Å; L102-R104 VanDerWaalsContact C-N 3.34Å; L102-R104 PolarHBondContact O-N 2.86Å; L102-L105 PolarHBondContact O-N 2.93Å; L102-L106 WeakPolarHBondContact O-CG 3.34Å; L102-L106 PolarHBondContact O-N 3.48Å |
| 103 | Q | 98.4 | Very high | 96.6 | Very high | 120 Ų | 120 | 96.3 Ų | 96.3 | 56% | 0.561 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60 | -41.9 | 175.6 | -74.7 | 172.3 | -22.9 | 0 | 0 | 112.6 | I99 A101 A107 | I99-Q103 HydrophobicContact CG2-CG 4.4Å; I99-Q103 WeakPolarHBondContact O-CB 3.39Å; I99-Q103 VanDerWaalsContact O-CG 3.29Å; I99-Q103 WeakPolarHBondContact O-CG 3.42Å; I99-Q103 PolarHBondContact O-N 3.47Å; A101-Q103 PolarHBondContact O-N 3.36Å; Q103-A107 WeakPolarHBondContact O-CB 3.23Å; Q103-A107 PolarHBondContact O-N 2.94Å |
| 104 | R | 98 | Very high | 96.1 | Very high | 153 Ų | 153 | 93.9 Ų | 93.9 | 58% | 0.577 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.3 | -46.3 | 175.8 | -75.8 | -177.8 | -69.3 | 139.2 | -5.7 | 111.8 | R100 A101 L102 L106 A107 E108 | R100-R104 WeakPolarHBondContact O-CG 3.47Å; R100-R104 PolarHBondContact O-N 3.32Å; R100-R104 PolarHBondContact O-NE 2.91Å; A101-R104 PolarHBondContact O-N 2.96Å; L102-R104 VanDerWaalsContact C-N 3.34Å; L102-R104 PolarHBondContact O-N 2.86Å; R104-L106 VanDerWaalsContact C-N 3.32Å; R104-L106 PolarHBondContact O-N 2.94Å; R104-A107 PolarHBondContact O-N 3.06Å; R104-E108 WeakPolarHBondContact O-CG 3.5Å; R104-E108 PolarHBondContact O-N 3.28Å |
| 105 | L | 97.9 | Very high | 95.7 | Very high | 103 Ų | 103 | 96.1 Ų | 96.1 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.4 | -44.9 | 178.5 | -171.8 | 161.3 | 0 | 0 | 0 | 111.4 | A101 L102 E108 H109 | A101-L105 PolarHBondContact O-N 3.42Å; L102-L105 PolarHBondContact O-N 2.93Å; L105-E108 PolarHBondContact O-N 3.31Å; L105-H109 WeakPolarHBondContact O-CB 3.44Å; L105-H109 PolarHBondContact O-N 3.12Å |
| 106 | L | 97.2 | Very high | 95 | Very high | 104 Ų | 104 | 102 Ų | 102 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 176.8 | -69.6 | 173.6 | 0 | 0 | 0 | 112 | L102 R104 E108 H109 D110 | L102-L106 WeakPolarHBondContact O-CG 3.34Å; L102-L106 PolarHBondContact O-N 3.48Å; R104-L106 VanDerWaalsContact C-N 3.32Å; R104-L106 PolarHBondContact O-N 2.94Å; L106-E108 PolarHBondContact O-N 3.35Å; L106-H109 PolarHBondContact O-N 3.07Å; L106-D110 WeakPolarHBondContact O-CB 3.3Å; L106-D110 PolarHBondContact O-N 3.46Å |
| 107 | A | 95.9 | Very high | 94.1 | Very high | 58 Ų | 58 | 101.7 Ų | 101.7 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q103 R104 D110 A111 | Q103-A107 WeakPolarHBondContact O-CB 3.23Å; Q103-A107 PolarHBondContact O-N 2.94Å; R104-A107 PolarHBondContact O-N 3.06Å; A107-D110 PolarHBondContact O-N 3.36Å; A107-A111 WeakPolarHBondContact O-CB 3.19Å; A107-A111 PolarHBondContact O-N 2.94Å |
| 108 | E | 95.6 | Very high | 92.4 | Very high | 121 Ų | 121 | 98.5 Ų | 98.5 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.3 | -45.9 | 174.2 | -72.5 | 168.2 | -159.7 | 0 | 0 | 111 | R104 L105 L106 D110 A111 V112 | R104-E108 WeakPolarHBondContact O-CG 3.5Å; R104-E108 PolarHBondContact O-N 3.28Å; L105-E108 PolarHBondContact O-N 3.31Å; L106-E108 PolarHBondContact O-N 3.35Å; E108-D110 PolarHBondContact O-N 3.48Å; E108-A111 PolarHBondContact O-N 3.42Å; E108-V112 VanDerWaalsContact O-CG2 3.32Å; E108-V112 WeakPolarHBondContact O-CG2 3.48Å; E108-V112 PolarHBondContact O-N 3.25Å |
| 109 | H | 95.1 | Very high | 90.7 | Very high | 111 Ų | 111 | 97.1 Ų | 97.1 | 51% | 0.514 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 177.8 | -177.5 | -89.2 | 0 | 0 | 0 | 112.2 | L105 L106 V112 R113 | L105-H109 WeakPolarHBondContact O-CB 3.44Å; L105-H109 PolarHBondContact O-N 3.12Å; L106-H109 PolarHBondContact O-N 3.07Å; H109-V112 PolarHBondContact O-N 2.93Å; H109-R113 VanDerWaalsContact O-CB 3.3Å; H109-R113 WeakPolarHBondContact O-CB 3.36Å; H109-R113 PolarHBondContact O-N 3.37Å |
| 110 | D | 93.7 | Very high | 88.6 | Confident | 81 Ų | 81 | 99.8 Ų | 99.8 | 43% | 0.433 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66 | -39.3 | 175.9 | -72 | -20.5 | 0 | 0 | 0 | 111.8 | L106 A107 E108 R113 N114 | L106-D110 WeakPolarHBondContact O-CB 3.3Å; L106-D110 PolarHBondContact O-N 3.46Å; A107-D110 PolarHBondContact O-N 3.36Å; E108-D110 PolarHBondContact O-N 3.48Å; D110-R113 PolarHBondContact O-N 3.39Å; D110-N114 VanDerWaalsContact O-CB 3.26Å; D110-N114 WeakPolarHBondContact O-CB 3.34Å; D110-N114 PolarHBondContact O-N 2.75Å; D110-N114 PolarHBondContact O-ND2 3.29Å; D110-N114 VanDerWaalsContact O-ND2 3.14Å |
| 111 | A | 91.8 | Very high | 86.5 | Confident | 58 Ų | 58 | 102.3 Ų | 102.3 | 48% | 0.479 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.1 | -44.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A107 E108 N114 A115 | A107-A111 WeakPolarHBondContact O-CB 3.19Å; A107-A111 PolarHBondContact O-N 2.94Å; E108-A111 PolarHBondContact O-N 3.42Å; A111-N114 PolarHBondContact O-N 3.14Å; A111-A115 WeakPolarHBondContact O-CB 3.47Å; A111-A115 PolarHBondContact O-N 3.45Å |
| 112 | V | 92.1 | Very high | 84.4 | Confident | 101 Ų | 101 | 105.2 Ų | 105.2 | 61% | 0.612 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.2 | -44.9 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 111 | E108 H109 N114 A115 L116 | E108-V112 VanDerWaalsContact O-CG2 3.32Å; E108-V112 WeakPolarHBondContact O-CG2 3.48Å; E108-V112 PolarHBondContact O-N 3.25Å; H109-V112 PolarHBondContact O-N 2.93Å; V112-N114 VanDerWaalsContact C-N 3.33Å; V112-N114 PolarHBondContact O-N 3.03Å; V112-A115 PolarHBondContact O-N 3.09Å; V112-L116 WeakPolarHBondContact O-CB 3.32Å; V112-L116 PolarHBondContact O-N 3.14Å |
| 113 | R | 91.4 | Very high | 82.3 | Confident | 168 Ų | 168 | 107.5 Ų | 107.5 | 63% | 0.634 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.7 | -42.3 | 176.7 | -176.9 | 177.1 | -179.3 | 159.8 | 2.6 | 111.7 | H109 D110 L116 A117 | H109-R113 VanDerWaalsContact O-CB 3.3Å; H109-R113 WeakPolarHBondContact O-CB 3.36Å; H109-R113 PolarHBondContact O-N 3.37Å; D110-R113 PolarHBondContact O-N 3.39Å; R113-L116 PolarHBondContact O-N 3.44Å; R113-A117 VanDerWaalsContact O-CB 3.24Å; R113-A117 WeakPolarHBondContact O-CB 3.49Å; R113-A117 PolarHBondContact O-N 3.22Å |
| 114 | N | 88.8 | Confident | 80.2 | Confident | 113 Ų | 113 | 105.8 Ų | 105.8 | 60% | 0.604 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69.4 | -37.4 | 177.6 | -71.9 | -24.3 | 0 | 0 | 0 | 112.2 | D110 A111 V112 G118 | D110-N114 VanDerWaalsContact O-CB 3.26Å; D110-N114 WeakPolarHBondContact O-CB 3.34Å; D110-N114 PolarHBondContact O-N 2.75Å; D110-N114 PolarHBondContact O-ND2 3.29Å; D110-N114 VanDerWaalsContact O-ND2 3.14Å; A111-N114 PolarHBondContact O-N 3.14Å; V112-N114 VanDerWaalsContact C-N 3.33Å; V112-N114 PolarHBondContact O-N 3.03Å; N114-G118 WeakPolarHBondContact O-CA 3.43Å; N114-G118 PolarHBondContact O-N 3.21Å |
| 115 | A | 86.8 | Confident | 78.1 | Confident | 72 Ų | 72 | 105 Ų | 105 | 60% | 0.595 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.9 | -43.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A111 V112 G118 G119 | A111-A115 WeakPolarHBondContact O-CB 3.47Å; A111-A115 PolarHBondContact O-N 3.45Å; V112-A115 PolarHBondContact O-N 3.09Å; A115-G118 PolarHBondContact O-N 3.35Å; A115-G119 PolarHBondContact O-N 2.72Å; A115-G119 VanDerWaalsContact O-N 3.16Å |
| 116 | L | 83.5 | Confident | 76.3 | Confident | 137 Ų | 137 | 111 Ų | 111 | 72% | 0.717 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.5 | -45.2 | 177 | -175.4 | 63.2 | 0 | 0 | 0 | 112.1 | V112 R113 G118 G119 | V112-L116 WeakPolarHBondContact O-CB 3.32Å; V112-L116 PolarHBondContact O-N 3.14Å; R113-L116 PolarHBondContact O-N 3.44Å; L116-G118 VanDerWaalsContact C-N 3.33Å; L116-G119 PolarHBondContact O-N 3.39Å |
| 117 | A | 80.3 | Confident | 74.2 | Confident | 64 Ų | 64 | 111.8 Ų | 111.8 | 53% | 0.529 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67.8 | -33.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R113 G119 L120 | R113-A117 VanDerWaalsContact O-CB 3.24Å; R113-A117 WeakPolarHBondContact O-CB 3.49Å; R113-A117 PolarHBondContact O-N 3.22Å; A117-G119 VanDerWaalsContact C-N 3.3Å; A117-G119 PolarHBondContact O-N 2.9Å; A117-L120 PolarHBondContact O-N 3.4Å |
| 118 | G | 63.3 | Low | 71.9 | Confident | 52 Ų | 52 | 114.5 Ų | 114.5 | 54% | 0.536 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -70.9 | -22.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N114 A115 L116 L120 R121 | N114-G118 WeakPolarHBondContact O-CA 3.43Å; N114-G118 PolarHBondContact O-N 3.21Å; A115-G118 PolarHBondContact O-N 3.35Å; L116-G118 VanDerWaalsContact C-N 3.33Å; G118-L120 VanDerWaalsContact C-N 3.26Å; G118-L120 PolarHBondContact O-N 2.93Å; G118-R121 PolarHBondContact O-N 3.17Å |
| 119 | G | 60.8 | Low | 70.1 | Confident | 65 Ų | 65 | 113.2 Ų | 113.2 | 67% | 0.67 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -12.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | A115 L116 A117 | A115-G119 PolarHBondContact O-N 2.72Å; A115-G119 VanDerWaalsContact O-N 3.16Å; L116-G119 PolarHBondContact O-N 3.39Å; A117-G119 VanDerWaalsContact C-N 3.3Å; A117-G119 PolarHBondContact O-N 2.9Å |
| 120 | L | 55.5 | Low | 68 | Low | 151 Ų | 151 | 113.9 Ų | 113.9 | 79% | 0.791 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | 10.6 | 177.5 | -69 | 177.5 | 0 | 0 | 0 | 113.8 | A117 G118 P122 | A117-L120 PolarHBondContact O-N 3.4Å; G118-L120 VanDerWaalsContact C-N 3.26Å; G118-L120 PolarHBondContact O-N 2.93Å; L120-P122 WeakPolarHBondContact O-CD 3.49Å |
| 121 | R | 53.2 | Low | 65.9 | Low | 209 Ų | 209 | 121.9 Ų | 121.9 | 79% | 0.789 | 71% | 0.708 | S | S | * | * | trans | -78.2 | 108.4 | 171.8 | -159.2 | 165.7 | 99.4 | -154.9 | 7.3 | 108.1 | G118 | G118-R121 PolarHBondContact O-N 3.17Š| ||
| 122 | P | 54.3 | Low | 63.7 | Low | 97 Ų | 97 | 122.8 Ų | 122.8 | 63% | 0.63 | 72% | 0.722 | S | S | * | * | trans | -57.1 | 145.6 | 174.2 | 25.1 | -32.2 | 0 | 0 | 0 | 108.3 | L120 A124 | L120-P122 WeakPolarHBondContact O-CD 3.49Å; P122-A124 PolarHBondContact O-N 3.33Å | ||
| 123 | P | 54.2 | Low | 61.7 | Low | 120 Ų | 120 | 126.6 Ų | 126.6 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | trans | -55.2 | 114.8 | 175 | 24.1 | -32.2 | 0 | 0 | 0 | 107.1 | V125 | P123-V125 PolarHBondContact O-N 2.95Š| ||
| 124 | A | 53.6 | Low | 60 | Low | 83 Ų | 83 | 124.4 Ų | 124.4 | 69% | 0.686 | 74% | 0.741 | S | S | * | * | trans | -57.1 | 107.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | P122 R126 | P122-A124 PolarHBondContact O-N 3.33Å; A124-R126 PolarHBondContact O-N 2.95Å | ||
| 125 | V | 55.3 | Low | 57.8 | Low | 136 Ų | 136 | 122 Ų | 122 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | trans | -55.9 | 109.7 | 167.5 | 178.4 | 0 | 0 | 0 | 0 | 105.4 | P123 P127 | P123-V125 PolarHBondContact O-N 2.95Å; V125-P127 VanDerWaalsContact O-CD 3.29Å; V125-P127 WeakPolarHBondContact O-CD 3.46Å | ||
| 126 | R | 59.2 | Low | 56.1 | Low | 229 Ų | 229 | 124.8 Ų | 124.8 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 118.9 | 176.7 | -63.1 | 172.1 | 76 | -166.9 | 5.5 | 107.2 | A124 S128 | A124-R126 PolarHBondContact O-N 2.95Å; R126-S128 PolarHBondContact O-N 3.46Å |
| 127 | P | 54.5 | Low | 54.4 | Low | 122 Ų | 122 | 124.8 Ų | 124.8 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 123.5 | 159.8 | 10.9 | 4.8 | 0 | 0 | 0 | 107.1 | V125 | V125-P127 VanDerWaalsContact O-CD 3.29Å; V125-P127 WeakPolarHBondContact O-CD 3.46Å |
| 128 | S | 47.2 | Very low | 52.8 | Low | 114 Ų | 114 | 126.4 Ų | 126.4 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 136.1 | 169.7 | 30.5 | 0 | 0 | 0 | 0 | 111.1 | R126 | R126-S128 PolarHBondContact O-N 3.46Š|
| 129 | A | 56.4 | Low | 52 | Low | 95 Ų | 95 | 131 Ų | 131 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 155.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 130 | P | 51.1 | Low | 51.3 | Low | 125 Ų | 125 | 132.3 Ų | 132.3 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -107.6 | 135.1 | 138.6 | 30 | -19.3 | 0 | 0 | 0 | 110.7 | ||||
| 131 | R | 51.3 | Low | 50.8 | Low | 249 Ų | 249 | 129.4 Ų | 129.4 | 94% | 0.94 | 79% | 0.792 | S | S | * | * | trans | -55.1 | 136.6 | 169.2 | -82.8 | 167.4 | 148.9 | -166.6 | -5.8 | 111.6 | ||||
| 132 | G | 43.9 | Very low | 50.6 | Low | 76 Ų | 76 | 124.4 Ų | 124.4 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | -157.8 | 115.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 133 | Q | 51.9 | Low | 50.9 | Low | 182 Ų | 182 | 125.8 Ų | 125.8 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | -91.3 | -163 | -179.6 | -56.1 | -169.6 | -19.8 | 0 | 0 | 111.8 | ||||
| 134 | P | 55.1 | Low | 50.4 | Low | 121 Ų | 121 | 125.6 Ų | 125.6 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | -116.2 | 163 | -110.5 | 32.1 | -10.4 | 0 | 0 | 0 | 112.8 | |||||
| 135 | G | 42.1 | Very low | 50.4 | Low | 64 Ų | 64 | 133.5 Ų | 133.5 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | trans | -157.4 | 115.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 136 | T | 51 | Low | 49.6 | Very low | 130 Ų | 130 | 131.4 Ų | 131.4 | 80% | 0.798 | 81% | 0.808 | S | S | * | * | trans | 70.9 | 102.4 | 149.1 | 68.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 137 | T | 48.4 | Very low | 48.8 | Very low | 136 Ų | 136 | 126 Ų | 126 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | 52.9 | 113.4 | 129.1 | 57.6 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 138 | A | 47.4 | Very low | 48.4 | Very low | 98 Ų | 98 | 125.2 Ų | 125.2 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -57.6 | 138.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 139 | V | 46.3 | Very low | 48.7 | Very low | 150 Ų | 150 | 125.6 Ų | 125.6 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -145.1 | 139.1 | 141.4 | 171.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 140 | A | 46.1 | Very low | 48.9 | Very low | 91 Ų | 91 | 126.8 Ų | 126.8 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -80.3 | 174.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 141 | A | 44.8 | Very low | 48.6 | Very low | 90 Ų | 90 | 124.6 Ų | 124.6 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | trans | 110.9 | 111.5 | 141.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 142 | S | 48.9 | Very low | 48.6 | Very low | 105 Ų | 105 | 124.1 Ų | 124.1 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | 69 | 124.2 | 136.3 | -55.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 143 | P | 59.8 | Low | 48.6 | Very low | 125 Ų | 125 | 124 Ų | 124 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -96.7 | 109 | 148.5 | 32.2 | -22.9 | 0 | 0 | 0 | 110.3 | R145 | P143-R145 PolarHBondContact O-N 3.01Š| ||
| 144 | S | 44.4 | Very low | 48.1 | Very low | 116 Ų | 116 | 118.8 Ų | 118.8 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -69.5 | 122.3 | 167.7 | -66.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 145 | R | 53 | Low | 47.8 | Very low | 250 Ų | 250 | 118.5 Ų | 118.5 | 94% | 0.943 | 80% | 0.799 | S | S | * | * | trans | -80.4 | 121.9 | 167.8 | -58 | 176.4 | 87.4 | -154.9 | 7.7 | 107.6 | P143 | P143-R145 PolarHBondContact O-N 3.01Š| ||
| 146 | A | 39 | Very low | 48 | Very low | 92 Ų | 92 | 120.9 Ų | 120.9 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -137.6 | 130.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 147 | S | 42.8 | Very low | 48.4 | Very low | 114 Ų | 114 | 123.5 Ų | 123.5 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | 62.2 | 124.2 | 153.8 | -147.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 148 | S | 46.7 | Very low | 48.7 | Very low | 106 Ų | 106 | 123 Ų | 123 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | -173.4 | 134 | 60.3 | 22.2 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 149 | S | 51.6 | Low | 48.6 | Very low | 122 Ų | 122 | 121.8 Ų | 121.8 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -86.3 | 137.9 | 160.7 | -58.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 150 | P | 61.6 | Low | 48.5 | Very low | 121 Ų | 121 | 120 Ų | 120 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -106.5 | 109.1 | 152 | 23.1 | -7.6 | 0 | 0 | 0 | 108.6 | ||||
| 151 | G | 45.3 | Very low | 49 | Very low | 79 Ų | 79 | 121.2 Ų | 121.2 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | -64.5 | 134 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 152 | R | 49.9 | Very low | 49 | Very low | 238 Ų | 238 | 128.8 Ų | 128.8 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | -128.6 | 100.7 | 163 | -132.7 | 179.8 | -167.5 | -80.9 | 1.9 | 108.2 | ||||
| 153 | G | 43.8 | Very low | 48.9 | Very low | 75 Ų | 75 | 129.2 Ų | 129.2 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -63 | 140.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 154 | G | 41.7 | Very low | 48.6 | Very low | 72 Ų | 72 | 127.5 Ų | 127.5 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | -161.2 | 76.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 108 | S156 | G154-S156 PolarHBondContact O-N 2.84Š| ||
| 155 | S | 49.4 | Very low | 49.1 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -60.6 | 124.6 | 162.5 | 176.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 156 | S | 47 | Very low | 48.9 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -154.4 | 115.1 | 159 | -70.6 | 0 | 0 | 0 | 0 | 107.4 | G154 | G154-S156 PolarHBondContact O-N 2.84Š| ||
| 157 | E | 58.8 | Low | 50.2 | Low | 185 Ų | 185 | 126.4 Ų | 126.4 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -62.1 | 140.1 | 176.9 | -55.9 | -167.7 | 109.8 | 0 | 0 | 111.3 | ||||
| 158 | P | 53.5 | Low | 50.6 | Low | 126 Ų | 126 | 128 Ų | 128 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -87.6 | 112.1 | 153.3 | 29.7 | -25.6 | 0 | 0 | 0 | 108.7 | S160 | P158-S160 PolarHBondContact O-N 3.33Š| ||
| 159 | G | 47.2 | Very low | 51.3 | Low | 72 Ų | 72 | 130.8 Ų | 130.8 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 130.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 160 | S | 43 | Very low | 51.2 | Low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67 | 131.4 | 177.7 | -163.8 | 0 | 0 | 0 | 0 | 110.5 | P158 R162 | P158-S160 PolarHBondContact O-N 3.33Å; S160-R162 PolarHBondContact O-N 3.29Å |
| 161 | P | 57.5 | Low | 50.2 | Low | 116 Ų | 116 | 127.7 Ų | 127.7 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 129.7 | 173 | 27 | -30.7 | 0 | 0 | 0 | 109.5 | S163 | P161-S163 PolarHBondContact O-N 2.92Š|
| 162 | R | 44.8 | Very low | 50.1 | Low | 248 Ų | 248 | 130.6 Ų | 130.6 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 116.5 | 167 | -78.6 | 178.9 | 151.5 | -140.8 | -3 | 108.3 | S160 A164 | S160-R162 PolarHBondContact O-N 3.29Å; R162-A164 PolarHBondContact O-N 2.92Å |
| 163 | S | 46.7 | Very low | 50.1 | Low | 115 Ų | 115 | 128.1 Ų | 128.1 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -75.3 | 102.5 | 166.9 | 179.1 | 0 | 0 | 0 | 0 | 108.3 | P161 | P161-S163 PolarHBondContact O-N 2.92Š| ||
| 164 | A | 52.1 | Low | 50.4 | Low | 88 Ų | 88 | 127.6 Ų | 127.6 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -77.2 | 115.6 | 151.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | R162 S166 | R162-A164 PolarHBondContact O-N 2.92Å; A164-S166 PolarHBondContact O-N 3.47Å | ||
| 165 | Y | 56.4 | Low | 51.2 | Low | 214 Ų | 214 | 128.8 Ų | 128.8 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -58.5 | 121 | 162.5 | 59 | -82.3 | 0 | 0 | 0 | 106.7 | ||||
| 166 | S | 47.4 | Very low | 51.7 | Low | 108 Ų | 108 | 127.7 Ų | 127.7 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -128 | 105.8 | 157.3 | -159.6 | 0 | 0 | 0 | 0 | 105.4 | A164 D168 | A164-S166 PolarHBondContact O-N 3.47Å; S166-D168 PolarHBondContact O-N 2.92Å | ||
| 167 | S | 67.8 | Low | 53 | Low | 114 Ų | 114 | 125 Ų | 125 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -63.7 | 120.4 | 163.2 | -87.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 168 | D | 50.4 | Low | 53.4 | Low | 147 Ų | 147 | 121 Ų | 121 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | -147.7 | 133.5 | 143.6 | -101.3 | -60 | 0 | 0 | 0 | 108.4 | S166 S170 | S166-D168 PolarHBondContact O-N 2.92Å; D168-S170 PolarHBondContact O-N 3.05Å | ||
| 169 | D | 61.5 | Low | 54 | Low | 164 Ų | 164 | 117.7 Ų | 117.7 | 88% | 0.877 | 74% | 0.742 | S | S | * | * | trans | -63.1 | 105.9 | 175.4 | -177.8 | -108 | 0 | 0 | 0 | 108.5 | ||||
| 170 | S | 48.9 | Very low | 55.1 | Low | 107 Ų | 107 | 118.4 Ų | 118.4 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | trans | -158.9 | 108.5 | 177.1 | -85.2 | 0 | 0 | 0 | 0 | 111.5 | D168 | D168-S170 PolarHBondContact O-N 3.05Š| ||
| 171 | G | 41.6 | Very low | 56.5 | Low | 72 Ų | 72 | 121.7 Ų | 121.7 | 74% | 0.742 | 72% | 0.721 | S | S | * | * | trans | 58.9 | 110.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | E173 | G171-E173 PolarHBondContact O-N 3.22Š| ||
| 172 | C | 42.7 | Very low | 57.1 | Low | 140 Ų | 140 | 122.3 Ų | 122.3 | 95% | 0.946 | 71% | 0.714 | S | S | * | * | trans | -66.6 | 61 | 161 | -73.7 | 0 | 0 | 0 | 0 | 111.8 | G174 | C172-G174 PolarHBondContact O-N 3.41Š| ||
| 173 | E | 49 | Very low | 58.1 | Low | 185 Ų | 185 | 111.5 Ų | 111.5 | 86% | 0.864 | 68% | 0.675 | S | S | * | * | trans | -81.1 | 78.7 | 152.6 | -82.2 | -74.1 | 113.4 | 0 | 0 | 105.7 | G171 A175 | G171-E173 PolarHBondContact O-N 3.22Å; E173-A175 PolarHBondContact O-N 3.1Å | ||
| 174 | G | 51.3 | Low | 59.2 | Low | 64 Ų | 64 | 110.6 Ų | 110.6 | 66% | 0.66 | 66% | 0.66 | S | S | * | * | trans | -60.1 | 104.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | C172 L176 | C172-G174 PolarHBondContact O-N 3.41Å; G174-L176 PolarHBondContact O-N 3.34Å | ||
| 175 | A | 57.9 | Low | 60.3 | Low | 97 Ų | 97 | 111.7 Ų | 111.7 | 80% | 0.802 | 65% | 0.654 | S | S | * | * | trans | -47.8 | 112.8 | 168 | 0 | 0 | 0 | 0 | 0 | 107.7 | E173 S177 | E173-A175 PolarHBondContact O-N 3.1Å; A175-S177 PolarHBondContact O-N 2.88Å; A175-S177 VanDerWaalsContact O-N 3.16Å | ||
| 176 | L | 59.6 | Low | 60.7 | Low | 93 Ų | 93 | 106.7 Ų | 106.7 | 49% | 0.487 | 64% | 0.636 | S | S | . | * | trans | -47.4 | 126.1 | -176 | -67.3 | 170.9 | 0 | 0 | 0 | 108.6 | G174 E180 L184 | G174-L176 PolarHBondContact O-N 3.34Å; L176-E180 HydrophobicContact CB-CB 4.29Å; L176-E180 HydrophobicContact CD2-CB 4.46Å; L176-L184 HydrophobicContact CD1-CD1 3.71Å | ||
| 177 | S | 73.9 | Confident | 61.7 | Low | 57 Ų | 57 | 103.3 Ų | 103.3 | 40% | 0.399 | 61% | 0.613 | S | S | . | * | trans | -53.2 | 143.4 | 177.8 | 174.2 | 0 | 0 | 0 | 0 | 108.4 | A175 A179 E180 R181 | A175-S177 PolarHBondContact O-N 2.88Å; A175-S177 VanDerWaalsContact O-N 3.16Å; S177-A179 PolarHBondContact O-N 2.92Å; S177-E180 PolarHBondContact N-OE2 2.85Å; S177-E180 WeakPolarHBondContact O-CA 3.45Å; S177-E180 WeakPolarHBondContact O-CB 3.39Å; S177-E180 PolarHBondContact O-N 3.29Å; S177-R181 PolarHBondContact O-N 3.02Å | ||
| 178 | P | 68.9 | Low | 62 | Low | 102 Ų | 102 | 101.6 Ų | 101.6 | 66% | 0.662 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -48.4 | -34.4 | 177.6 | -29.1 | 34.7 | 0 | 0 | 0 | 113.2 | R181 E182 | P178-R181 PolarHBondContact O-N 3.22Å; P178-E182 PolarHBondContact O-N 2.81Å |
| 179 | A | 65 | Low | 63 | Low | 56 Ų | 56 | 103.3 Ų | 103.3 | 46% | 0.463 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.1 | -33 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | S177 R181 L183 | S177-A179 PolarHBondContact O-N 2.92Å; A179-R181 VanDerWaalsContact C-N 3.34Å; A179-L183 VanDerWaalsContact O-CB 3.23Å; A179-L183 WeakPolarHBondContact O-CB 3.29Å; A179-L183 PolarHBondContact O-N 3.45Å |
| 180 | E | 70.1 | Confident | 63.2 | Low | 87 Ų | 87 | 97.8 Ų | 97.8 | 41% | 0.407 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -72.3 | -32.6 | 174.4 | -66.2 | 175 | 141.7 | 0 | 0 | 111 | L176 S177 L183 L184 | L176-E180 HydrophobicContact CB-CB 4.29Å; L176-E180 HydrophobicContact CD2-CB 4.46Å; S177-E180 PolarHBondContact N-OE2 2.85Å; S177-E180 WeakPolarHBondContact O-CA 3.45Å; S177-E180 WeakPolarHBondContact O-CB 3.39Å; S177-E180 PolarHBondContact O-N 3.29Å; E180-L183 WeakPolarHBondContact O-CB 3.38Å; E180-L183 PolarHBondContact O-N 2.86Å; E180-L184 WeakPolarHBondContact O-CB 3.48Å; E180-L184 WeakPolarHBondContact O-CD1 3.22Å; E180-L184 VanDerWaalsContact O-CG 3.22Å; E180-L184 WeakPolarHBondContact O-CG 3.3Å; E180-L184 PolarHBondContact O-N 2.88Å |
| 181 | R | 73.7 | Confident | 63.6 | Low | 181 Ų | 181 | 95.8 Ų | 95.8 | 68% | 0.683 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.4 | -45.4 | 175.9 | -129.7 | 167.7 | -179.6 | -173.1 | -0.9 | 112.3 | S177 P178 A179 L183 L184 D185 | S177-R181 PolarHBondContact O-N 3.02Å; P178-R181 PolarHBondContact O-N 3.22Å; A179-R181 VanDerWaalsContact C-N 3.34Å; R181-L183 VanDerWaalsContact C-N 3.3Å; R181-L183 PolarHBondContact O-N 3.4Å; R181-L184 PolarHBondContact O-N 3Å; R181-D185 PolarHBondContact O-N 3.46Å |
| 182 | E | 68.5 | Low | 64.5 | Low | 130 Ų | 130 | 95.2 Ų | 95.2 | 61% | 0.607 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.1 | -40.6 | 170.9 | -73.4 | -179.5 | -178.5 | 0 | 0 | 111.5 | P178 L184 D185 F186 | P178-E182 PolarHBondContact O-N 2.81Å; E182-L184 VanDerWaalsContact C-N 3.29Å; E182-L184 PolarHBondContact O-N 3.25Å; E182-D185 PolarHBondContact O-N 3.28Å; E182-F186 WeakPolarHBondContact O-CD2 3.42Å; E182-F186 PolarHBondContact O-N 3.45Å |
| 183 | L | 65.6 | Low | 64.8 | Low | 21 Ų | 21 | 99.9 Ų | 99.9 | 11% | 0.11 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -60.5 | -40.2 | 177.1 | -172.2 | 73.8 | 0 | 0 | 0 | 112 | L65 A179 E180 R181 S187 | L65-L183 HydrophobicContact CD1-CD1 3.63Å; L65-L183 HydrophobicContact CD2-CD1 3.59Å; L65-L183 HydrophobicContact CG-CD1 3.32Å; A179-L183 VanDerWaalsContact O-CB 3.23Å; A179-L183 WeakPolarHBondContact O-CB 3.29Å; A179-L183 PolarHBondContact O-N 3.45Å; E180-L183 WeakPolarHBondContact O-CB 3.38Å; E180-L183 PolarHBondContact O-N 2.86Å; R181-L183 VanDerWaalsContact C-N 3.3Å; R181-L183 PolarHBondContact O-N 3.4Å; L183-S187 VanDerWaalsContact O-CB 3.27Å; L183-S187 WeakPolarHBondContact O-CB 3.42Å; L183-S187 PolarHBondContact O-N 3.31Å; L183-S187 PolarHBondContact O-OG 2.67Å |
| 184 | L | 69.9 | Low | 65.6 | Low | 96 Ų | 96 | 95.6 Ų | 95.6 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.7 | -39.6 | 177.6 | -74.1 | 165.6 | 0 | 0 | 0 | 112.1 | L176 E180 R181 E182 S187 S188 | L176-L184 HydrophobicContact CD1-CD1 3.71Å; E180-L184 WeakPolarHBondContact O-CB 3.48Å; E180-L184 WeakPolarHBondContact O-CD1 3.22Å; E180-L184 VanDerWaalsContact O-CG 3.22Å; E180-L184 WeakPolarHBondContact O-CG 3.3Å; E180-L184 PolarHBondContact O-N 2.88Å; R181-L184 PolarHBondContact O-N 3Å; E182-L184 VanDerWaalsContact C-N 3.29Å; E182-L184 PolarHBondContact O-N 3.25Å; L184-S187 PolarHBondContact O-N 3.48Å; L184-S188 WeakPolarHBondContact O-CB 3.2Å; L184-S188 PolarHBondContact O-N 3.29Å |
| 185 | D | 75.4 | Confident | 66.4 | Low | 110 Ų | 110 | 97.3 Ų | 97.3 | 59% | 0.588 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.6 | -50.7 | 176.1 | -171.6 | 45.4 | 0 | 0 | 0 | 111.1 | R181 E182 S187 S188 W189 | R181-D185 PolarHBondContact O-N 3.46Å; E182-D185 PolarHBondContact O-N 3.28Å; D185-S187 VanDerWaalsContact C-N 3.3Å; D185-S187 PolarHBondContact O-N 2.85Å; D185-S188 PolarHBondContact O-N 2.93Å; D185-S188 VanDerWaalsContact O-N 3.13Å; D185-S188 PolarHBondContact O-OG 3.24Å; D185-W189 PolarHBondContact O-N 3.28Å |
| 186 | F | 66.2 | Low | 66.8 | Low | 109 Ų | 109 | 97.3 Ų | 97.3 | 48% | 0.478 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.1 | -36.6 | 174 | -86.8 | -77.2 | 0 | 0 | 0 | 113.1 | L65 E182 W189 L190 | L65-F186 HydrophobicContact CD2-CB 3.9Å; E182-F186 WeakPolarHBondContact O-CD2 3.42Å; E182-F186 PolarHBondContact O-N 3.45Å; F186-W189 HydrophobicContact CD1-CE3 4.44Å; F186-L190 WeakPolarHBondContact O-CG 3.17Å; F186-L190 PolarHBondContact O-N 2.83Å |
| 187 | S | 68.6 | Low | 67.3 | Low | 38 Ų | 38 | 97.5 Ų | 97.5 | 27% | 0.266 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.7 | -34.1 | 176.8 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | L183 L184 D185 L190 G191 | L183-S187 VanDerWaalsContact O-CB 3.27Å; L183-S187 WeakPolarHBondContact O-CB 3.42Å; L183-S187 PolarHBondContact O-N 3.31Å; L183-S187 PolarHBondContact O-OG 2.67Å; L184-S187 PolarHBondContact O-N 3.48Å; D185-S187 VanDerWaalsContact C-N 3.3Å; D185-S187 PolarHBondContact O-N 2.85Å; S187-L190 PolarHBondContact O-N 3.43Å; S187-G191 PolarHBondContact O-N 3.32Å; S187-G191 VanDerWaalsContact O-N 3.11Å |
| 188 | S | 73.6 | Confident | 66.8 | Low | 77 Ų | 77 | 100.1 Ų | 100.1 | 54% | 0.538 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.1 | -39 | 176.3 | 79 | 0 | 0 | 0 | 0 | 111.6 | L184 D185 L190 G191 | L184-S188 WeakPolarHBondContact O-CB 3.2Å; L184-S188 PolarHBondContact O-N 3.29Å; D185-S188 PolarHBondContact O-N 2.93Å; D185-S188 VanDerWaalsContact O-N 3.13Å; D185-S188 PolarHBondContact O-OG 3.24Å; S188-L190 VanDerWaalsContact C-N 3.29Å; S188-L190 PolarHBondContact O-N 2.91Å; S188-G191 PolarHBondContact O-N 3.42Å; S188-G191 VanDerWaalsContact O-N 3.12Å |
| 189 | W | 70.9 | Confident | 66.7 | Low | 184 Ų | 184 | 99.9 Ų | 99.9 | 70% | 0.697 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.6 | -38.2 | 173.1 | -179.5 | 52.5 | 0 | 0 | 0 | 112.6 | D185 F186 G191 | D185-W189 PolarHBondContact O-N 3.28Å; F186-W189 HydrophobicContact CD1-CE3 4.44Å; W189-G191 VanDerWaalsContact C-N 3.34Å |
| 190 | L | 65.9 | Low | 66.8 | Low | 48 Ų | 48 | 103.1 Ų | 103.1 | 25% | 0.251 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -77.1 | -16.7 | 176.8 | -64.2 | 173.4 | 0 | 0 | 0 | 113.8 | L68 A72 F186 S187 S188 | L68-L190 HydrophobicContact CB-CD1 3.94Å; A72-L190 HydrophobicContact CB-CB 4.48Å; A72-L190 HydrophobicContact CB-CD2 3.66Å; F186-L190 WeakPolarHBondContact O-CG 3.17Å; F186-L190 PolarHBondContact O-N 2.83Å; S187-L190 PolarHBondContact O-N 3.43Å; S188-L190 VanDerWaalsContact C-N 3.29Å; S188-L190 PolarHBondContact O-N 2.91Å |
| 191 | G | 57.8 | Low | 66.6 | Low | 64 Ų | 64 | 104.3 Ų | 104.3 | 66% | 0.66 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 3.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | S187 S188 W189 | S187-G191 PolarHBondContact O-N 3.32Å; S187-G191 VanDerWaalsContact O-N 3.11Å; S188-G191 PolarHBondContact O-N 3.42Å; S188-G191 VanDerWaalsContact O-N 3.12Å; W189-G191 VanDerWaalsContact C-N 3.34Å |
| 192 | G | 58.9 | Low | 66 | Low | 60 Ų | 60 | 97.9 Ų | 97.9 | 62% | 0.619 | 52% | 0.521 | S | S | * | . | trans | -89.7 | 6.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 193 | Y | 50.4 | Low | 65.7 | Low | 238 Ų | 238 | 95 Ų | 95 | 93% | 0.933 | 51% | 0.513 | S | S | * | . | trans | -130.4 | 0 | -176.6 | -70.8 | -77.9 | 0 | 0 | 0 | 113 |
Retrieved 193 of 193 residues in 80.8 ms
(Link to these results)