| 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 | 47.8 | Very low | 45.6 | Very low | 247 Ų | 247 | 146 Ų | 146 | 100% | 1.217 | 87% | 0.872 | S | S | * | * | 0 | 116.7 | 0 | -60.7 | -178.1 | 102.9 | 0 | 0 | 107.4 | |||||
| 2 | S | 40.3 | Very low | 45.1 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 87% | 0.874 | 87% | 0.867 | S | S | * | * | trans | -163.2 | 114.2 | 158.1 | -138.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 3 | A | 42.4 | Very low | 45.5 | Very low | 96 Ų | 96 | 148.4 Ų | 148.4 | 79% | 0.793 | 87% | 0.869 | S | S | * | * | trans | -88.5 | 135.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 4 | V | 46.9 | Very low | 45.5 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 85% | 0.848 | 86% | 0.856 | S | S | * | * | trans | -126.5 | 107 | 166.8 | 161.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 5 | S | 44.7 | Very low | 45.4 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | trans | -73.5 | 128.8 | 166.8 | -59.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 6 | G | 42.8 | Very low | 44.9 | Very low | 70 Ų | 70 | 148.5 Ų | 148.5 | 72% | 0.722 | 85% | 0.847 | S | S | * | * | trans | -124.4 | 96.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | M8 | G6-M8 PolarHBondContact O-N 3.43Š| ||
| 7 | N | 43.4 | Very low | 44.6 | Very low | 163 Ų | 163 | 148.8 Ų | 148.8 | 87% | 0.872 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 119.2 | 170.4 | -75.1 | -13.4 | 0 | 0 | 0 | 109.7 | ||
| 8 | M | 48.9 | Very low | 44.7 | Very low | 191 Ų | 191 | 149.9 Ų | 149.9 | 94% | 0.941 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 120 | 166.3 | -69.6 | -165.6 | 72.3 | 0 | 0 | 109.8 | G6 | G6-M8 PolarHBondContact O-N 3.43Š|
| 9 | R | 50 | Low | 44.6 | Very low | 243 Ų | 243 | 153.3 Ų | 153.3 | 92% | 0.917 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -86 | 133.1 | -174.6 | -158.3 | 173.1 | -178.1 | 161.7 | -1.2 | 109.4 | ||
| 10 | V | 46.1 | Very low | 44.1 | Very low | 147 Ų | 147 | 154.3 Ų | 154.3 | 89% | 0.891 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 126.6 | 166.2 | 169.4 | 0 | 0 | 0 | 0 | 108.9 | ||
| 11 | G | 48.2 | Very low | 43.8 | Very low | 69 Ų | 69 | 155.2 Ų | 155.2 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | trans | 145.6 | 74 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 12 | D | 39.9 | Very low | 43.2 | Very low | 153 Ų | 153 | 146.3 Ų | 146.3 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -147 | 72 | 147.9 | -150.5 | 2.2 | 0 | 0 | 0 | 109.2 | S14 | D12-S14 PolarHBondContact O-N 3.08Š| ||
| 13 | L | 49.5 | Very low | 43.3 | Very low | 170 Ų | 170 | 146 Ų | 146 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -83.8 | 93.6 | 162.2 | -103.2 | 81.5 | 0 | 0 | 0 | 106.7 | H15 | L13-H15 VanDerWaalsContact C-N 3.3Å; L13-H15 PolarHBondContact O-N 2.97Å | ||
| 14 | S | 46.3 | Very low | 43.2 | Very low | 99 Ų | 99 | 149.5 Ų | 149.5 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | trans | -70.8 | 91.1 | 165.5 | 60.2 | 0 | 0 | 0 | 0 | 109.2 | D12 F16 | D12-S14 PolarHBondContact O-N 3.08Å; S14-F16 PolarHBondContact O-N 3.34Å; S14-F16 VanDerWaalsContact O-N 3.08Å | ||
| 15 | H | 43.9 | Very low | 43 | Very low | 159 Ų | 159 | 151.3 Ų | 151.3 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | trans | -63.6 | 94 | 163.5 | 177.8 | 79.2 | 0 | 0 | 0 | 109 | L13 | L13-H15 VanDerWaalsContact C-N 3.3Å; L13-H15 PolarHBondContact O-N 2.97Å | ||
| 16 | F | 36.7 | Very low | 43 | Very low | 189 Ų | 189 | 152.5 Ų | 152.5 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | trans | -99.7 | 108.6 | 165.1 | -117.2 | -88.7 | 0 | 0 | 0 | 109.5 | S14 M18 | S14-F16 PolarHBondContact O-N 3.34Å; S14-F16 VanDerWaalsContact O-N 3.08Å; F16-M18 PolarHBondContact O-N 3.29Å | ||
| 17 | Q | 39.6 | Very low | 42.6 | Very low | 153 Ų | 153 | 156.4 Ų | 156.4 | 72% | 0.715 | 81% | 0.808 | S | S | * | * | trans | -67.4 | 106.3 | 179 | -164.8 | 169.2 | -0.1 | 0 | 0 | 109.4 | ||||
| 18 | M | 47.2 | Very low | 42.1 | Very low | 169 Ų | 169 | 152.9 Ų | 152.9 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | trans | -95.2 | 109 | 167.3 | -83.4 | -73.5 | -76.7 | 0 | 0 | 108.5 | F16 | F16-M18 PolarHBondContact O-N 3.29Š| ||
| 19 | Y | 42 | Very low | 41.6 | Very low | 215 Ų | 215 | 148.5 Ų | 148.5 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | 4.4 | 128.4 | 164.3 | -69.5 | -88.7 | 0 | 0 | 0 | 119.5 | ||||
| 20 | Q | 35.7 | Very low | 41.2 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -92 | 152.3 | 165.1 | -143.4 | 168.6 | 25.9 | 0 | 0 | 109.5 | ||||
| 21 | E | 36.7 | Very low | 40.5 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | 90.4 | 114.7 | 162.9 | -57.5 | -58.7 | 144 | 0 | 0 | 119.9 | ||||
| 22 | G | 35.8 | Very low | 40.4 | Very low | 61 Ų | 61 | 142.4 Ų | 142.4 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | trans | 163.7 | 93.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L24 | G22-L24 PolarHBondContact O-N 2.96Š| ||
| 23 | P | 41.8 | Very low | 40.2 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -68.1 | 122.5 | -178.7 | 27.3 | -31.7 | 0 | 0 | 0 | 109.8 | Q25 | P23-Q25 PolarHBondContact O-N 2.81Š| ||
| 24 | L | 41.2 | Very low | 39.9 | Very low | 169 Ų | 169 | 145.8 Ų | 145.8 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | trans | -63.3 | 102.7 | 168.1 | -66.7 | 175.4 | 0 | 0 | 0 | 107.9 | G22 L26 | G22-L24 PolarHBondContact O-N 2.96Å; L24-L26 VanDerWaalsContact C-N 3.29Å; L24-L26 PolarHBondContact O-N 2.9Å | ||
| 25 | Q | 41.6 | Very low | 39.6 | Very low | 177 Ų | 177 | 144.2 Ų | 144.2 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | -61.7 | 98.7 | 163.6 | -82.8 | -173.3 | 66.7 | 0 | 0 | 107.9 | P23 N27 | P23-Q25 PolarHBondContact O-N 2.81Å; Q25-N27 PolarHBondContact O-N 3.21Å | ||
| 26 | L | 46.2 | Very low | 39.9 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | -69.9 | 103.2 | 166.7 | -153.6 | 153.7 | 0 | 0 | 0 | 105.8 | L24 S28 | L24-L26 VanDerWaalsContact C-N 3.29Å; L24-L26 PolarHBondContact O-N 2.9Å; L26-S28 WeakPolarHBondContact CD2-OG 3.08Å; L26-S28 PolarHBondContact O-N 3.37Å | ||
| 27 | N | 33.2 | Very low | 40.5 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -71.2 | 74.7 | 167.6 | -85.3 | -6.9 | 0 | 0 | 0 | 108.9 | Q25 A29 | Q25-N27 PolarHBondContact O-N 3.21Å; N27-A29 VanDerWaalsContact C-N 3.35Å; N27-A29 PolarHBondContact O-N 3.26Å | ||
| 28 | S | 34 | Very low | 40.8 | Very low | 88 Ų | 88 | 135.6 Ų | 135.6 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | trans | -81.6 | 85.7 | 154.5 | -88.2 | 0 | 0 | 0 | 0 | 107.6 | L26 V30 | L26-S28 WeakPolarHBondContact CD2-OG 3.08Å; L26-S28 PolarHBondContact O-N 3.37Å; S28-V30 VanDerWaalsContact C-N 3.3Å; S28-V30 PolarHBondContact O-N 3.26Å | ||
| 29 | A | 37.9 | Very low | 41 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -78 | 95.7 | 148.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | N27 S31 | N27-A29 VanDerWaalsContact C-N 3.35Å; N27-A29 PolarHBondContact O-N 3.26Å; A29-S31 PolarHBondContact O-N 3.49Å | ||
| 30 | V | 40.9 | Very low | 41.4 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -52.1 | 114.6 | 157.3 | 157.3 | 0 | 0 | 0 | 0 | 108.2 | S28 | S28-V30 VanDerWaalsContact C-N 3.3Å; S28-V30 PolarHBondContact O-N 3.26Å | ||
| 31 | S | 33 | Very low | 42 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -119.6 | 91 | 138.5 | -90.7 | 0 | 0 | 0 | 0 | 106.3 | A29 D33 | A29-S31 PolarHBondContact O-N 3.49Å; S31-D33 PolarHBondContact O-N 3.41Å | ||
| 32 | S | 45.7 | Very low | 42.4 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | trans | -71.1 | 106.6 | 161.4 | 160.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 33 | D | 35 | Very low | 42.9 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | -133.6 | 81.7 | 153.1 | -80 | -44.1 | 0 | 0 | 0 | 107.6 | S31 G35 | S31-D33 PolarHBondContact O-N 3.41Å; D33-G35 VanDerWaalsContact C-N 3.28Å; D33-G35 PolarHBondContact O-N 3.07Å | ||
| 34 | Y | 43.6 | Very low | 43.3 | Very low | 239 Ų | 239 | 137 Ų | 137 | 94% | 0.937 | 78% | 0.778 | S | S | * | * | trans | -73 | 88.2 | 164.9 | -163.1 | -95 | 0 | 0 | 0 | 107.3 | ||||
| 35 | G | 39.3 | Very low | 43.3 | Very low | 67 Ų | 67 | 134 Ų | 134 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | -137.5 | 108.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | D33 | D33-G35 VanDerWaalsContact C-N 3.28Å; D33-G35 PolarHBondContact O-N 3.07Å | ||
| 36 | A | 49.7 | Very low | 44 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -49.4 | 132 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 37 | S | 49.3 | Very low | 44.1 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | 171.8 | 111.3 | 153.5 | -68.3 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 38 | D | 46.5 | Very low | 44.9 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 63% | 0.631 | 78% | 0.779 | S | S | * | * | -177.8 | 79.7 | 92.6 | -88.2 | -43.2 | 0 | 0 | 0 | 110.1 | T40 N41 | D38-T40 VanDerWaalsContact C-N 3.35Å; D38-N41 PolarHBondContact OD1-ND2 3.16Å | |||
| 39 | V | 51.5 | Low | 45.7 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 87% | 0.873 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -98.6 | 10.2 | 161.2 | 174 | 0 | 0 | 0 | 0 | 110.8 | ||
| 40 | T | 51.5 | Low | 46.4 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | -134.4 | 71.4 | -176.7 | 34.2 | 0 | 0 | 0 | 0 | 111.1 | D38 | D38-T40 VanDerWaalsContact C-N 3.35Š| ||
| 41 | N | 47.2 | Very low | 47 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 65% | 0.647 | 79% | 0.786 | S | S | * | * | trans | -135.8 | 33.3 | 164 | -90.6 | -32.4 | 0 | 0 | 0 | 112.7 | D38 | D38-N41 PolarHBondContact OD1-ND2 3.16Š| ||
| 42 | Y | 46.5 | Very low | 48.1 | Very low | 224 Ų | 224 | 139.8 Ų | 139.8 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -111 | 19 | 172.1 | -69.3 | -73.9 | 0 | 0 | 0 | 113.8 | ||
| 43 | F | 46.1 | Very low | 48.6 | Very low | 198 Ų | 198 | 141.5 Ų | 141.5 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -160.5 | 51.7 | 172.9 | -150.4 | -99.1 | 0 | 0 | 0 | 114.9 | ||
| 44 | T | 50.3 | Low | 49.7 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -162.1 | 101.4 | 153.9 | -8.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 45 | S | 39.6 | Very low | 50.3 | Low | 106 Ų | 106 | 135.4 Ų | 135.4 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | trans | -151.1 | 83.7 | 152.6 | -169.9 | 0 | 0 | 0 | 0 | 108.7 | K47 | S45-K47 PolarHBondContact O-N 3.38Š| ||
| 46 | T | 56.1 | Low | 51.3 | Low | 137 Ų | 137 | 136.5 Ų | 136.5 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | trans | -65 | 85.2 | 154.5 | 33.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 47 | K | 49.8 | Very low | 51.8 | Low | 178 Ų | 178 | 134.6 Ų | 134.6 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | trans | -146.2 | 121.6 | 154 | -73.7 | -166.2 | 179.4 | 176.1 | 0 | 108.6 | S45 G49 | S45-K47 PolarHBondContact O-N 3.38Å; K47-G49 PolarHBondContact O-N 3.41Å | ||
| 48 | P | 49.9 | Very low | 52.4 | Low | 141 Ų | 141 | 136.5 Ų | 136.5 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | trans | -84.4 | 106.4 | 174.6 | 32.4 | -26.3 | 0 | 0 | 0 | 108.2 | ||||
| 49 | G | 50.7 | Low | 53.2 | Low | 66 Ų | 66 | 138.1 Ų | 138.1 | 68% | 0.68 | 75% | 0.753 | S | S | * | * | trans | 168.1 | 123 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | K47 | K47-G49 PolarHBondContact O-N 3.41Š| ||
| 50 | A | 51.9 | Low | 53.7 | Low | 90 Ų | 90 | 135.8 Ų | 135.8 | 74% | 0.744 | 74% | 0.74 | S | S | * | * | trans | 75.9 | 80.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 51 | R | 53.1 | Low | 54.6 | Low | 240 Ų | 240 | 137.9 Ų | 137.9 | 91% | 0.906 | 74% | 0.741 | S | S | * | * | trans | -119.9 | 25.1 | 167.2 | -65 | -157.8 | 84.2 | -177.1 | 7.4 | 114.2 | ||||
| 52 | E | 56.6 | Low | 56.1 | Low | 164 Ų | 164 | 142.6 Ų | 142.6 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -107.4 | -16.8 | -174 | -77.3 | 154.7 | -176 | 0 | 0 | 115.2 | ||
| 53 | D | 56.2 | Low | 57.7 | Low | 129 Ų | 129 | 142.1 Ų | 142.1 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -98 | -7.4 | -169.4 | -57 | -38.6 | 0 | 0 | 0 | 116.2 | ||
| 54 | K | 58.2 | Low | 59.6 | Low | 173 Ų | 173 | 141.6 Ų | 141.6 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -75.8 | -25.8 | -175.7 | -64.9 | -175.3 | -177.7 | -177.3 | 0 | 113.5 | ||
| 55 | C | 57.4 | Low | 61.6 | Low | 93 Ų | 93 | 145.2 Ų | 145.2 | 63% | 0.628 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -72.4 | -30 | -179.3 | -62.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 56 | V | 59.3 | Low | 64.2 | Low | 90 Ų | 90 | 141.9 Ų | 141.9 | 55% | 0.545 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -76.1 | -33.5 | -179.1 | -173 | 0 | 0 | 0 | 0 | 111.5 | L59 T60 | V56-L59 PolarHBondContact O-N 3.16Å; V56-T60 HydrophobicContact CG1-CG2 4.18Å; V56-T60 WeakPolarHBondContact O-CB 3.38Å; V56-T60 WeakPolarHBondContact O-CG2 3.44Å; V56-T60 PolarHBondContact O-N 3.25Å; V56-T60 PolarHBondContact O-OG1 3.13Å |
| 57 | A | 60.3 | Low | 66 | Low | 60 Ų | 60 | 141.8 Ų | 141.8 | 50% | 0.496 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -68.7 | -34.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T60 | A57-T60 WeakPolarHBondContact CA-OG1 3.33Å; A57-T60 PolarHBondContact O-OG1 3.32Å |
| 58 | I | 61.3 | Low | 68.3 | Low | 142 Ų | 142 | 136.4 Ų | 136.4 | 73% | 0.728 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -73.1 | -33.5 | 178.6 | -62.1 | -170.3 | 0 | 0 | 0 | 111.5 | ||
| 59 | L | 64.3 | Low | 70.6 | Confident | 153 Ų | 153 | 133.1 Ų | 133.1 | 80% | 0.801 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -79.6 | -19.2 | 178.1 | -64.7 | 175.5 | 0 | 0 | 0 | 113.7 | V56 | V56-L59 PolarHBondContact O-N 3.16Å |
| 60 | T | 61.9 | Low | 72.9 | Confident | 95 Ų | 95 | 135.6 Ų | 135.6 | 58% | 0.583 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -99.1 | -3.1 | -175.8 | 53.7 | 0 | 0 | 0 | 0 | 114.2 | V56 A57 R62 | V56-T60 HydrophobicContact CG1-CG2 4.18Å; V56-T60 WeakPolarHBondContact O-CB 3.38Å; V56-T60 WeakPolarHBondContact O-CG2 3.44Å; V56-T60 PolarHBondContact O-N 3.25Å; V56-T60 PolarHBondContact O-OG1 3.13Å; A57-T60 WeakPolarHBondContact CA-OG1 3.33Å; A57-T60 PolarHBondContact O-OG1 3.32Å; T60-R62 PolarHBondContact O-N 3.43Å |
| 61 | H | 70.3 | Confident | 75.1 | Confident | 164 Ų | 164 | 138.2 Ų | 138.2 | 76% | 0.759 | 66% | 0.657 | S | S | * | * | trans | -77.8 | 54.2 | 179 | -153.3 | 81.6 | 0 | 0 | 0 | 113 | R63 | H61-R63 PolarHBondContact O-N 3.1Š| ||
| 62 | R | 78.1 | Confident | 77.3 | Confident | 220 Ų | 220 | 128.3 Ų | 128.3 | 83% | 0.83 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 118.1 | 172.7 | -171.7 | 175.4 | 171.3 | -170.7 | -1 | 108.5 | T60 K64 | T60-R62 PolarHBondContact O-N 3.43Å; R62-K64 PolarHBondContact O-N 2.83Å |
| 63 | R | 80.3 | Confident | 79.3 | Confident | 213 Ų | 213 | 122.5 Ų | 122.5 | 80% | 0.804 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 134.5 | 177 | -63.8 | -180 | -169.4 | 154.4 | 3.1 | 110 | H61 R65 | H61-R63 PolarHBondContact O-N 3.1Å; R63-R65 PolarHBondContact O-N 3.43Å |
| 64 | K | 85.8 | Confident | 81.3 | Confident | 188 Ų | 188 | 121.3 Ų | 121.3 | 82% | 0.817 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 136.1 | 176.7 | -61.9 | -65.6 | -175 | 179.6 | 0 | 109.8 | R62 R104 | R62-K64 PolarHBondContact O-N 2.83Å; K64-R104 PolarHBondContact O-NH2 3.46Å; K64-R104 VanDerWaalsContact O-NH2 3.16Å |
| 65 | R | 92.1 | Very high | 83.2 | Confident | 208 Ų | 208 | 116 Ų | 116 | 79% | 0.785 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 136 | -179 | -173.1 | 177.4 | -179 | 177.1 | -0.2 | 109.3 | R63 | R63-R65 PolarHBondContact O-N 3.43Š|
| 66 | T | 94.1 | Very high | 85.2 | Confident | 35 Ų | 35 | 111.6 Ų | 111.6 | 22% | 0.215 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 130.3 | 170.2 | -56.1 | 0 | 0 | 0 | 0 | 109.2 | F68 L100 R104 | T66-F68 HydrophobicContact CG2-CE1 4.26Å; T66-F68 HydrophobicContact CG2-CZ 4.29Å; T66-L100 HydrophobicContact CG2-CD2 4.06Å; T66-R104 VanDerWaalsContact OG1-CD 3.28Å; T66-R104 WeakPolarHBondContact OG1-CD 3.24Å; T66-R104 PolarHBondContact OG1-NE 2.79Å; T66-R104 VanDerWaalsContact OG1-NE 3.09Å; T66-R104 PolarHBondContact OG1-NH1 3.4Å |
| 67 | N | 95.6 | Very high | 87 | Confident | 135 Ų | 135 | 111.3 Ų | 111.3 | 72% | 0.722 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -99.4 | 132.8 | 167.3 | -67.7 | -62.2 | 0 | 0 | 0 | 108.2 | ||
| 68 | F | 97.6 | Very high | 88.9 | Confident | 65 Ų | 65 | 115.4 Ų | 115.4 | 29% | 0.285 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -97.2 | 136.1 | 178.8 | -58.2 | -86.7 | 0 | 0 | 0 | 108.7 | T66 I73 L76 L100 W108 | T66-F68 HydrophobicContact CG2-CE1 4.26Å; T66-F68 HydrophobicContact CG2-CZ 4.29Å; F68-I73 HydrophobicContact CB-CD1 4.11Å; F68-I73 HydrophobicContact CB-CG1 3.79Å; F68-L76 HydrophobicContact CD1-CD1 4.42Å; F68-L100 HydrophobicContact CD1-CD1 3.54Å; F68-L100 HydrophobicContact CD1-CD2 4.16Å; F68-L100 HydrophobicContact CE1-CD1 3.74Å; F68-L100 HydrophobicContact CE1-CD2 4.27Å; F68-W108 HydrophobicContact CE1-CB 4.49Å; F68-W108 AromaticContact CE2-CD1 3.87Å; F68-W108 HydrophobicContact CZ-CB 4.18Å; F68-W108 AromaticContact CZ-CD1 3.8Å; F68-W108 HydrophobicContact CZ-CG 4.39Å |
| 69 | T | 98.4 | Very high | 90.6 | Very high | 72 Ų | 72 | 109.7 Ų | 109.7 | 44% | 0.442 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 160.2 | 169.6 | 72 | 0 | 0 | 0 | 0 | 110 | Q71 Q72 I73 | T69-Q71 VanDerWaalsContact C-N 3.32Å; T69-Q71 PolarHBondContact O-N 3.46Å; T69-Q72 PolarHBondContact O-N 3.45Å; T69-Q72 VanDerWaalsContact OG1-CG 3.24Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.41Å; T69-Q72 PolarHBondContact OG1-N 3.22Å; T69-Q72 PolarHBondContact OG1-OE1 2.82Å; T69-I73 WeakPolarHBondContact O-CG1 3.33Å; T69-I73 PolarHBondContact O-N 2.86Å; T69-I73 VanDerWaalsContact O-N 3.09Å |
| 70 | Q | 98.1 | Very high | 92.3 | Very high | 119 Ų | 119 | 103 Ų | 103 | 56% | 0.556 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.8 | -43.3 | 179 | -177.9 | 55.6 | 31 | 0 | 0 | 111.9 | Q72 I73 E74 | Q70-Q72 VanDerWaalsContact C-N 3.33Å; Q70-Q72 PolarHBondContact O-N 3.32Å; Q70-I73 WeakPolarHBondContact O-CB 3.34Å; Q70-I73 PolarHBondContact O-N 3.21Å; Q70-I73 VanDerWaalsContact O-N 3.14Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.44Å; Q70-E74 PolarHBondContact NE2-OE1 3.19Å; Q70-E74 VanDerWaalsContact NE2-OE1 3.16Å; Q70-E74 WeakPolarHBondContact O-CG 3.35Å; Q70-E74 PolarHBondContact O-N 3.07Å |
| 71 | Q | 98.3 | Very high | 94 | Very high | 145 Ų | 145 | 102.1 Ų | 102.1 | 68% | 0.678 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.4 | -39.9 | 176.5 | -68.7 | -177.3 | -33.4 | 0 | 0 | 112.7 | T69 I73 E74 I75 | T69-Q71 VanDerWaalsContact C-N 3.32Å; T69-Q71 PolarHBondContact O-N 3.46Å; Q71-I73 VanDerWaalsContact C-N 3.35Å; Q71-E74 PolarHBondContact O-N 3.09Å; Q71-I75 WeakPolarHBondContact O-CG1 3.35Å; Q71-I75 PolarHBondContact O-N 3.28Å; Q71-I75 VanDerWaalsContact O-N 3.16Å |
| 72 | Q | 98.5 | Very high | 95.3 | Very high | 32 Ų | 32 | 100.4 Ų | 100.4 | 15% | 0.15 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 175.9 | -71.5 | 168.5 | -19.7 | 0 | 0 | 111.2 | T69 Q70 E74 I75 L76 T98 L100 | T69-Q72 PolarHBondContact O-N 3.45Å; T69-Q72 VanDerWaalsContact OG1-CG 3.24Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.41Å; T69-Q72 PolarHBondContact OG1-N 3.22Å; T69-Q72 PolarHBondContact OG1-OE1 2.82Å; Q70-Q72 VanDerWaalsContact C-N 3.33Å; Q70-Q72 PolarHBondContact O-N 3.32Å; Q72-E74 VanDerWaalsContact C-N 3.35Å; Q72-I75 PolarHBondContact O-N 3.5Å; Q72-L76 WeakPolarHBondContact O-CB 3.24Å; Q72-L76 WeakPolarHBondContact O-CG 3.48Å; Q72-L76 PolarHBondContact O-N 3.35Å; Q72-L76 VanDerWaalsContact O-N 3.07Å; Q72-T98 PolarHBondContact NE2-O 3.26Å; Q72-L100 HydrophobicContact CB-CD1 4.08Å; Q72-L100 HydrophobicContact CG-CD1 4.13Å |
| 73 | I | 98.5 | Very high | 96.3 | Very high | 42 Ų | 42 | 92.2 Ų | 92.2 | 22% | 0.215 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 177.2 | -65.3 | 167.9 | 0 | 0 | 0 | 110.3 | F68 T69 Q70 Q71 I75 L76 E77 | F68-I73 HydrophobicContact CB-CD1 4.11Å; F68-I73 HydrophobicContact CB-CG1 3.79Å; T69-I73 WeakPolarHBondContact O-CG1 3.33Å; T69-I73 PolarHBondContact O-N 2.86Å; T69-I73 VanDerWaalsContact O-N 3.09Å; Q70-I73 WeakPolarHBondContact O-CB 3.34Å; Q70-I73 PolarHBondContact O-N 3.21Å; Q70-I73 VanDerWaalsContact O-N 3.14Å; Q71-I73 VanDerWaalsContact C-N 3.35Å; I73-I75 PolarHBondContact O-N 3.43Å; I73-L76 PolarHBondContact O-N 2.98Å; I73-E77 HydrophobicContact CG2-CG 4.05Å; I73-E77 WeakPolarHBondContact O-CB 3.24Å; I73-E77 WeakPolarHBondContact O-CG 3.42Å; I73-E77 PolarHBondContact O-N 3.32Å |
| 74 | E | 98.6 | Very high | 97.1 | Very high | 103 Ų | 103 | 86.1 Ų | 86.1 | 48% | 0.481 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 179.6 | -73.6 | 167.5 | -167.2 | 0 | 0 | 112.5 | Q70 Q71 Q72 L76 E77 K78 | Q70-E74 WeakPolarHBondContact CG-OE1 3.44Å; Q70-E74 PolarHBondContact NE2-OE1 3.19Å; Q70-E74 VanDerWaalsContact NE2-OE1 3.16Å; Q70-E74 WeakPolarHBondContact O-CG 3.35Å; Q70-E74 PolarHBondContact O-N 3.07Å; Q71-E74 PolarHBondContact O-N 3.09Å; Q72-E74 VanDerWaalsContact C-N 3.35Å; E74-L76 VanDerWaalsContact C-N 3.35Å; E74-L76 PolarHBondContact O-N 2.78Å; E74-E77 PolarHBondContact O-N 3.49Å; E74-K78 WeakPolarHBondContact O-CB 3.42Å; E74-K78 PolarHBondContact O-N 3Å |
| 75 | I | 98.5 | Very high | 97.7 | Very high | 62 Ų | 62 | 84.8 Ų | 84.8 | 32% | 0.318 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 176.1 | -65.5 | 165.8 | 0 | 0 | 0 | 110.5 | Q71 Q72 I73 E77 K78 V79 L94 T98 | Q71-I75 WeakPolarHBondContact O-CG1 3.35Å; Q71-I75 PolarHBondContact O-N 3.28Å; Q71-I75 VanDerWaalsContact O-N 3.16Å; Q72-I75 PolarHBondContact O-N 3.5Å; I73-I75 PolarHBondContact O-N 3.43Å; I75-E77 VanDerWaalsContact C-N 3.35Å; I75-E77 PolarHBondContact O-N 3.45Å; I75-K78 PolarHBondContact O-N 3.17Å; I75-V79 PolarHBondContact O-N 2.66Å; I75-V79 VanDerWaalsContact O-N 3.09Å; I75-L94 HydrophobicContact CG2-CD2 3.71Å; I75-T98 HydrophobicContact CB-CG2 4.25Å; I75-T98 HydrophobicContact CD1-CG2 4.26Å; I75-T98 HydrophobicContact CG2-CG2 3.96Å |
| 76 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 179.3 | -68.1 | 170 | 0 | 0 | 0 | 112 | F68 Q72 I73 E74 V79 Y80 L94 L100 I105 W108 F109 | F68-L76 HydrophobicContact CD1-CD1 4.42Å; Q72-L76 WeakPolarHBondContact O-CB 3.24Å; Q72-L76 WeakPolarHBondContact O-CG 3.48Å; Q72-L76 PolarHBondContact O-N 3.35Å; Q72-L76 VanDerWaalsContact O-N 3.07Å; I73-L76 PolarHBondContact O-N 2.98Å; E74-L76 VanDerWaalsContact C-N 3.35Å; E74-L76 PolarHBondContact O-N 2.78Å; L76-V79 PolarHBondContact O-N 3.15Å; L76-Y80 WeakPolarHBondContact O-CB 3.41Å; L76-Y80 PolarHBondContact O-N 3.04Å; L76-L94 HydrophobicContact CD2-CD1 4.26Å; L76-L100 HydrophobicContact CD1-CD1 4.31Å; L76-I105 HydrophobicContact CD2-CG1 4.34Å; L76-I105 HydrophobicContact CD2-CG2 3.89Å; L76-W108 HydrophobicContact CB-CD2 4.17Å; L76-W108 HydrophobicContact CB-CE3 3.97Å; L76-W108 HydrophobicContact CB-CH2 3.65Å; L76-W108 HydrophobicContact CB-CZ2 3.83Å; L76-W108 HydrophobicContact CB-CZ3 3.73Å; L76-W108 HydrophobicContact CD1-CD2 3.87Å; L76-W108 HydrophobicContact CD1-CE3 4.33Å; L76-W108 HydrophobicContact CD1-CG 3.97Å; L76-F109 HydrophobicContact CD2-CE2 3.84Å |
| 77 | E | 98.6 | Very high | 98.2 | Very high | 84 Ų | 84 | 78.3 Ų | 78.3 | 39% | 0.393 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.3 | -37.7 | 176.8 | -74.4 | -164.4 | 148.3 | 0 | 0 | 112.5 | I73 E74 I75 Y80 S81 W108 R112 | I73-E77 HydrophobicContact CG2-CG 4.05Å; I73-E77 WeakPolarHBondContact O-CB 3.24Å; I73-E77 WeakPolarHBondContact O-CG 3.42Å; I73-E77 PolarHBondContact O-N 3.32Å; E74-E77 PolarHBondContact O-N 3.49Å; I75-E77 VanDerWaalsContact C-N 3.35Å; I75-E77 PolarHBondContact O-N 3.45Å; E77-Y80 CarbonylContact O-C 3.58Å; E77-Y80 WeakPolarHBondContact O-CB 3.39Å; E77-Y80 PolarHBondContact O-N 3.14Å; E77-S81 PolarHBondContact O-N 3.38Å; E77-W108 HydrophobicContact CG-CH2 3.8Å; E77-W108 HydrophobicContact CG-CZ2 3.92Å; E77-R112 IonicContact OE1-NE 3.8Å |
| 78 | K | 98.4 | Very high | 98.3 | Very high | 147 Ų | 147 | 74.5 Ų | 74.5 | 64% | 0.639 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.3 | -46.3 | 172.1 | -176.3 | -179.9 | 179.4 | 179.7 | 0 | 111.5 | E74 I75 Y80 S81 D82 | E74-K78 WeakPolarHBondContact O-CB 3.42Å; E74-K78 PolarHBondContact O-N 3Å; I75-K78 PolarHBondContact O-N 3.17Å; K78-Y80 VanDerWaalsContact C-N 3.29Å; K78-Y80 PolarHBondContact O-N 3.39Å; K78-S81 PolarHBondContact O-N 2.91Å; K78-S81 PolarHBondContact O-OG 3.5Å; K78-D82 PolarHBondContact O-N 2.88Å |
| 79 | V | 98.5 | Very high | 98.4 | Very high | 22 Ų | 22 | 79.6 Ų | 79.6 | 13% | 0.133 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.7 | -34.5 | 174.8 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | I75 L76 S81 D82 T83 L90 L94 F109 | I75-V79 PolarHBondContact O-N 2.66Å; I75-V79 VanDerWaalsContact O-N 3.09Å; L76-V79 PolarHBondContact O-N 3.15Å; V79-S81 VanDerWaalsContact C-N 3.3Å; V79-S81 PolarHBondContact O-N 3.45Å; V79-D82 PolarHBondContact O-N 3.05Å; V79-D82 VanDerWaalsContact O-N 3.11Å; V79-T83 HydrophobicContact CG1-CG2 4.12Å; V79-T83 PolarHBondContact O-N 3.07Å; V79-L90 HydrophobicContact CG1-CD2 3.87Å; V79-L90 HydrophobicContact CG1-CG 4.32Å; V79-L94 HydrophobicContact CB-CD1 4.3Å; V79-L94 HydrophobicContact CG1-CD1 4.14Å; V79-L94 HydrophobicContact CG2-CD1 4.27Å; V79-L94 HydrophobicContact CG2-CD2 3.84Å; V79-L94 HydrophobicContact CG2-CG 4.46Å; V79-F109 HydrophobicContact CB-CZ 4.23Å; V79-F109 HydrophobicContact CG1-CZ 4.02Å |
| 80 | Y | 98.6 | Very high | 98.4 | Very high | 12 Ų | 12 | 78.9 Ų | 78.9 | 5% | 0.047 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64 | -32.3 | 176.4 | -172.4 | -101.5 | 0 | 0 | 0 | 112.7 | L76 E77 K78 D82 T83 K84 F109 R112 R113 | L76-Y80 WeakPolarHBondContact O-CB 3.41Å; L76-Y80 PolarHBondContact O-N 3.04Å; E77-Y80 CarbonylContact O-C 3.58Å; E77-Y80 WeakPolarHBondContact O-CB 3.39Å; E77-Y80 PolarHBondContact O-N 3.14Å; K78-Y80 VanDerWaalsContact C-N 3.29Å; K78-Y80 PolarHBondContact O-N 3.39Å; Y80-D82 VanDerWaalsContact C-N 3.3Å; Y80-T83 WeakPolarHBondContact CA-O 3.41Å; Y80-K84 HydrophobicContact CD1-CD 3.82Å; Y80-K84 HydrophobicContact CD2-CD 3.94Å; Y80-K84 HydrophobicContact CE1-CD 3.42Å; Y80-K84 VanDerWaalsContact CE1-CD 3.42Å; Y80-K84 HydrophobicContact CE2-CB 4.17Å; Y80-K84 HydrophobicContact CE2-CD 3.56Å; Y80-K84 HydrophobicContact CE2-CG 4.47Å; Y80-K84 HydrophobicContact CG-CD 4.06Å; Y80-K84 VanDerWaalsContact O-CD 3.26Å; Y80-K84 WeakPolarHBondContact O-CD 3.27Å; Y80-K84 VanDerWaalsContact O-CE 3.24Å; Y80-K84 WeakPolarHBondContact O-CE 3.43Å; Y80-K84 PolarHBondContact O-NZ 2.82Å; Y80-F109 AromaticContact CD2-CD1 3.74Å; Y80-F109 HydrophobicContact CD2-CD1 3.74Å; Y80-F109 AromaticContact CD2-CE1 3.81Å; Y80-F109 HydrophobicContact CD2-CE1 3.81Å; Y80-F109 HydrophobicContact CE2-CD1 4.47Å; Y80-F109 HydrophobicContact CG-CE1 4.42Å; Y80-R112 HydrophobicContact CD1-CG 3.92Å; Y80-R112 HydrophobicContact CD2-CB 4.37Å; Y80-R112 HydrophobicContact CD2-CG 3.8Å; Y80-R112 HydrophobicContact CE1-CG 3.74Å; Y80-R112 HydrophobicContact CE2-CB 4.06Å; Y80-R112 HydrophobicContact CE2-CG 3.61Å; Y80-R112 HydrophobicContact CG-CG 3.95Å; Y80-R113 HydrophobicContact CE2-CG 3.83Å |
| 81 | S | 98.3 | Very high | 98.4 | Very high | 77 Ų | 77 | 75.2 Ų | 75.2 | 54% | 0.538 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 172.3 | 53.6 | 0 | 0 | 0 | 0 | 111.7 | E77 K78 V79 | E77-S81 PolarHBondContact O-N 3.38Å; K78-S81 PolarHBondContact O-N 2.91Å; K78-S81 PolarHBondContact O-OG 3.5Å; V79-S81 VanDerWaalsContact C-N 3.3Å; V79-S81 PolarHBondContact O-N 3.45Å |
| 82 | D | 98 | Very high | 98.4 | Very high | 127 Ų | 127 | 72.9 Ų | 72.9 | 68% | 0.679 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -75.4 | -47.2 | -177.7 | -59.1 | -9 | 0 | 0 | 0 | 111.6 | K78 V79 Y80 | K78-D82 PolarHBondContact O-N 2.88Å; V79-D82 PolarHBondContact O-N 3.05Å; V79-D82 VanDerWaalsContact O-N 3.11Å; Y80-D82 VanDerWaalsContact C-N 3.3Å |
| 83 | T | 98 | Very high | 98.4 | Very high | 48 Ų | 48 | 79.8 Ų | 79.8 | 29% | 0.294 | 37% | 0.374 | S | S | . | . | trans | -143.4 | 127.7 | 176 | 178 | 0 | 0 | 0 | 0 | 112.4 | V79 Y80 Y85 P86 L90 | V79-T83 HydrophobicContact CG1-CG2 4.12Å; V79-T83 PolarHBondContact O-N 3.07Å; Y80-T83 WeakPolarHBondContact CA-O 3.41Å; T83-Y85 VanDerWaalsContact C-N 3.25Å; T83-Y85 PolarHBondContact O-N 3.06Å; T83-Y85 PolarHBondContact OG1-N 3.09Å; T83-Y85 PolarHBondContact OG1-O 3.25Å; T83-P86 HydrophobicContact CG2-CB 4.26Å; T83-L90 HydrophobicContact CG2-CD2 3.73Å | ||
| 84 | K | 98.1 | Very high | 98.4 | Very high | 86 Ų | 86 | 78 Ų | 78 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -75.7 | -16.4 | 175.9 | -51.6 | -65.3 | 170.6 | -158.6 | 0 | 112.5 | Y80 R113 | Y80-K84 HydrophobicContact CD1-CD 3.82Å; Y80-K84 HydrophobicContact CD2-CD 3.94Å; Y80-K84 HydrophobicContact CE1-CD 3.42Å; Y80-K84 VanDerWaalsContact CE1-CD 3.42Å; Y80-K84 HydrophobicContact CE2-CB 4.17Å; Y80-K84 HydrophobicContact CE2-CD 3.56Å; Y80-K84 HydrophobicContact CE2-CG 4.47Å; Y80-K84 HydrophobicContact CG-CD 4.06Å; Y80-K84 VanDerWaalsContact O-CD 3.26Å; Y80-K84 WeakPolarHBondContact O-CD 3.27Å; Y80-K84 VanDerWaalsContact O-CE 3.24Å; Y80-K84 WeakPolarHBondContact O-CE 3.43Å; Y80-K84 PolarHBondContact O-NZ 2.82Å; K84-R113 WeakPolarHBondContact O-CD 3.2Å; K84-R113 PolarHBondContact O-NH1 3.24Å |
| 85 | Y | 98.4 | Very high | 98.4 | Very high | 159 Ų | 159 | 76.8 Ų | 76.8 | 62% | 0.624 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -133.1 | 75.9 | -175 | -64.1 | -90.7 | 0 | 0 | 0 | 109.6 | T83 R113 | T83-Y85 VanDerWaalsContact C-N 3.25Å; T83-Y85 PolarHBondContact O-N 3.06Å; T83-Y85 PolarHBondContact OG1-N 3.09Å; T83-Y85 PolarHBondContact OG1-O 3.25Å; Y85-R113 VanDerWaalsContact CE1-CD 3.49Å; Y85-R113 VanDerWaalsContact CE1-NE 3.27Å |
| 86 | P | 98.1 | Very high | 98.4 | Very high | 8 Ų | 8 | 78 Ų | 78 | 5% | 0.052 | 38% | 0.379 | C | S | . | . | trans | -67.3 | 135.2 | 178 | 29.3 | -36.6 | 0 | 0 | 0 | 110.7 | T83 L90 R91 F109 | T83-P86 HydrophobicContact CG2-CB 4.26Å; P86-L90 HydrophobicContact CB-CB 4.26Å; P86-L90 HydrophobicContact CB-CD2 3.72Å; P86-L90 HydrophobicContact CB-CG 4.02Å; P86-R91 HydrophobicContact CB-CG 4.08Å; P86-R91 HydrophobicContact CG-CG 3.98Å; P86-R91 PolarHBondContact O-NH1 3.47Å; P86-F109 VanDerWaalsContact CD-CD1 3.41Å; P86-F109 HydrophobicContact CG-CD1 3.6Å; P86-F109 HydrophobicContact CG-CD2 3.9Å; P86-F109 HydrophobicContact CG-CE1 3.61Å; P86-F109 HydrophobicContact CG-CE2 3.91Å; P86-F109 HydrophobicContact CG-CG 3.77Å; P86-F109 HydrophobicContact CG-CZ 3.78Å | ||
| 87 | D | 98.5 | Very high | 98.4 | Very high | 100 Ų | 100 | 83.3 Ų | 83.3 | 54% | 0.535 | 41% | 0.406 | S | S | . | . | trans | -71.4 | 166.8 | 174.2 | -172.1 | 26.8 | 0 | 0 | 0 | 112 | Y89 L90 R91 | D87-Y89 PolarHBondContact O-N 3.16Å; D87-L90 PolarHBondContact O-N 3.4Å; D87-L90 VanDerWaalsContact O-N 3.12Å; D87-R91 WeakPolarHBondContact O-CG 3.49Å; D87-R91 PolarHBondContact O-N 3.01Å | ||
| 88 | I | 98.3 | Very high | 98.3 | Very high | 55 Ų | 55 | 79.9 Ų | 79.9 | 28% | 0.282 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -50.9 | -50.3 | -177.8 | -174.7 | 61.2 | 0 | 0 | 0 | 112.3 | L90 R91 E92 E102 | I88-L90 VanDerWaalsContact C-N 3.29Å; I88-L90 PolarHBondContact O-N 3.36Å; I88-R91 WeakPolarHBondContact O-CA 3.36Å; I88-R91 WeakPolarHBondContact O-CB 3.46Å; I88-R91 PolarHBondContact O-N 2.7Å; I88-E92 HydrophobicContact CD1-CG 4.48Å; I88-E92 WeakPolarHBondContact O-CG 3.39Å; I88-E92 PolarHBondContact O-N 3.09Å; I88-E102 HydrophobicContact CD1-CG 4.01Å; I88-E102 WeakPolarHBondContact CD1-OE1 3.19Å |
| 89 | Y | 98.5 | Very high | 98.3 | Very high | 171 Ų | 171 | 76.1 Ų | 76.1 | 67% | 0.671 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.2 | -35.8 | -179.4 | -60.4 | -68.8 | 0 | 0 | 0 | 113.2 | D87 R91 R93 | D87-Y89 PolarHBondContact O-N 3.16Å; Y89-R91 VanDerWaalsContact C-N 3.34Å; Y89-R93 PolarHBondContact O-N 3.44Å |
| 90 | L | 98.6 | Very high | 98.3 | Very high | 57 Ų | 57 | 75.5 Ų | 75.5 | 30% | 0.298 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.9 | -34.7 | 176.7 | -178.2 | 56.1 | 0 | 0 | 0 | 111.1 | V79 T83 P86 D87 I88 L94 | V79-L90 HydrophobicContact CG1-CD2 3.87Å; V79-L90 HydrophobicContact CG1-CG 4.32Å; T83-L90 HydrophobicContact CG2-CD2 3.73Å; P86-L90 HydrophobicContact CB-CB 4.26Å; P86-L90 HydrophobicContact CB-CD2 3.72Å; P86-L90 HydrophobicContact CB-CG 4.02Å; D87-L90 PolarHBondContact O-N 3.4Å; D87-L90 VanDerWaalsContact O-N 3.12Å; I88-L90 VanDerWaalsContact C-N 3.29Å; I88-L90 PolarHBondContact O-N 3.36Å; L90-L94 WeakPolarHBondContact O-CG 3.32Å; L90-L94 PolarHBondContact O-N 3.38Å |
| 91 | R | 98.7 | Very high | 98.2 | Very high | 43 Ų | 43 | 77.9 Ų | 77.9 | 16% | 0.162 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -69.6 | -39.5 | 174.6 | -62.5 | -167 | -56.1 | -85.5 | 0.5 | 111.9 | P86 D87 I88 Y89 L94 E95 E102 I105 | P86-R91 HydrophobicContact CB-CG 4.08Å; P86-R91 HydrophobicContact CG-CG 3.98Å; P86-R91 PolarHBondContact O-NH1 3.47Å; D87-R91 WeakPolarHBondContact O-CG 3.49Å; D87-R91 PolarHBondContact O-N 3.01Å; I88-R91 WeakPolarHBondContact O-CA 3.36Å; I88-R91 WeakPolarHBondContact O-CB 3.46Å; I88-R91 PolarHBondContact O-N 2.7Å; Y89-R91 VanDerWaalsContact C-N 3.34Å; R91-L94 CarbonylContact O-C 3.59Å; R91-L94 WeakPolarHBondContact O-CB 3.28Å; R91-L94 PolarHBondContact O-N 2.9Å; R91-L94 VanDerWaalsContact O-N 3.15Å; R91-E95 PolarHBondContact O-N 3.17Å; R91-E102 HydrophobicContact CB-CG 3.91Å; R91-E102 IonicContact CZ-OE1 3.21Å; R91-E102 IonicContact NE-OE1 2.75Å; R91-E102 PolarHBondContact NE-OE1 3.19Å; R91-E102 IonicContact NH2-OE1 2.79Å; R91-E102 PolarHBondContact NH2-OE1 3.32Å; R91-I105 HydrophobicContact CB-CG2 4.39Å; R91-I105 HydrophobicContact CG-CG2 4.28Å |
| 92 | E | 98.6 | Very high | 98.2 | Very high | 96 Ų | 96 | 76.1 Ų | 76.1 | 45% | 0.449 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 173.4 | -69.7 | 174.9 | 163.2 | 0 | 0 | 111.8 | I88 L94 E95 A96 | I88-E92 HydrophobicContact CD1-CG 4.48Å; I88-E92 WeakPolarHBondContact O-CG 3.39Å; I88-E92 PolarHBondContact O-N 3.09Å; E92-L94 VanDerWaalsContact C-N 3.28Å; E92-L94 PolarHBondContact O-N 3.46Å; E92-E95 WeakPolarHBondContact O-CB 3.21Å; E92-E95 PolarHBondContact O-N 3.32Å; E92-A96 PolarHBondContact O-N 3.03Å; E92-A96 VanDerWaalsContact O-N 3.1Å |
| 93 | R | 98.5 | Very high | 98.2 | Very high | 176 Ų | 176 | 72.9 Ų | 72.9 | 66% | 0.664 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.7 | -38.2 | 172.5 | -174.3 | 176.3 | -179.9 | 179.3 | 1 | 111.9 | Y89 E95 A96 L97 | Y89-R93 PolarHBondContact O-N 3.44Å; R93-E95 VanDerWaalsContact C-N 3.35Å; R93-A96 PolarHBondContact O-N 3.28Å; R93-L97 HydrophobicContact CG-CD1 4.36Å; R93-L97 WeakPolarHBondContact O-CG 3.45Å; R93-L97 PolarHBondContact O-N 3.12Å; R93-L97 VanDerWaalsContact O-N 3.13Å |
| 94 | L | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.7 | -33.3 | 175.4 | -76.2 | 168.5 | 0 | 0 | 0 | 112.5 | I75 L76 V79 L90 R91 E92 L97 T98 I105 F109 | I75-L94 HydrophobicContact CG2-CD2 3.71Å; L76-L94 HydrophobicContact CD2-CD1 4.26Å; V79-L94 HydrophobicContact CB-CD1 4.3Å; V79-L94 HydrophobicContact CG1-CD1 4.14Å; V79-L94 HydrophobicContact CG2-CD1 4.27Å; V79-L94 HydrophobicContact CG2-CD2 3.84Å; V79-L94 HydrophobicContact CG2-CG 4.46Å; L90-L94 WeakPolarHBondContact O-CG 3.32Å; L90-L94 PolarHBondContact O-N 3.38Å; R91-L94 CarbonylContact O-C 3.59Å; R91-L94 WeakPolarHBondContact O-CB 3.28Å; R91-L94 PolarHBondContact O-N 2.9Å; R91-L94 VanDerWaalsContact O-N 3.15Å; E92-L94 VanDerWaalsContact C-N 3.28Å; E92-L94 PolarHBondContact O-N 3.46Å; L94-L97 PolarHBondContact O-N 3.35Å; L94-T98 WeakPolarHBondContact O-CB 3.36Å; L94-T98 WeakPolarHBondContact O-CG2 3.44Å; L94-T98 PolarHBondContact O-N 2.75Å; L94-T98 PolarHBondContact O-OG1 2.92Å; L94-I105 HydrophobicContact CB-CD1 3.81Å; L94-I105 HydrophobicContact CB-CG2 4.45Å; L94-I105 HydrophobicContact CD1-CG2 4.19Å; L94-F109 HydrophobicContact CD1-CE2 4.06Å; L94-F109 HydrophobicContact CD1-CZ 4.31Å |
| 95 | E | 98.6 | Very high | 98.2 | Very high | 79 Ų | 79 | 70.3 Ų | 70.3 | 37% | 0.369 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.8 | -48 | 172.2 | 166 | 164.2 | -158.1 | 0 | 0 | 110.6 | R91 E92 R93 L97 T98 G99 L100 E102 I105 | R91-E95 PolarHBondContact O-N 3.17Å; E92-E95 WeakPolarHBondContact O-CB 3.21Å; E92-E95 PolarHBondContact O-N 3.32Å; R93-E95 VanDerWaalsContact C-N 3.35Å; E95-L97 VanDerWaalsContact C-N 3.28Å; E95-L97 PolarHBondContact O-N 2.79Å; E95-T98 PolarHBondContact O-N 2.89Å; E95-G99 WeakPolarHBondContact O-CA 3.49Å; E95-G99 PolarHBondContact O-N 3.02Å; E95-L100 VanDerWaalsContact CA-O 3.27Å; E95-L100 WeakPolarHBondContact CA-O 3.48Å; E95-L100 WeakPolarHBondContact CB-O 3.44Å; E95-L100 VanDerWaalsContact CG-O 3.24Å; E95-L100 WeakPolarHBondContact CG-O 3.49Å; E95-E102 WeakPolarHBondContact OE2-CB 3.41Å; E95-E102 PolarHBondContact OE2-N 3.37Å; E95-I105 HydrophobicContact CB-CD1 4Å; E95-I105 VanDerWaalsContact N-CD1 3.35Å |
| 96 | A | 98.3 | Very high | 98.2 | Very high | 88 Ų | 88 | 66.4 Ų | 66.4 | 73% | 0.727 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.3 | -36.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E92 R93 | E92-A96 PolarHBondContact O-N 3.03Å; E92-A96 VanDerWaalsContact O-N 3.1Å; R93-A96 PolarHBondContact O-N 3.28Å |
| 97 | L | 97.7 | Very high | 98.3 | Very high | 111 Ų | 111 | 69.2 Ų | 69.2 | 58% | 0.581 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -79.5 | -35.9 | -179 | -70.9 | 173.1 | 0 | 0 | 0 | 114 | R93 L94 E95 | R93-L97 HydrophobicContact CG-CD1 4.36Å; R93-L97 WeakPolarHBondContact O-CG 3.45Å; R93-L97 PolarHBondContact O-N 3.12Å; R93-L97 VanDerWaalsContact O-N 3.13Å; L94-L97 PolarHBondContact O-N 3.35Å; E95-L97 VanDerWaalsContact C-N 3.28Å; E95-L97 PolarHBondContact O-N 2.79Å |
| 98 | T | 97.8 | Very high | 98.3 | Very high | 12 Ų | 12 | 65.7 Ų | 65.7 | 7% | 0.074 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -102.7 | -15.7 | -171.9 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | Q72 I75 L94 E95 L100 | Q72-T98 PolarHBondContact NE2-O 3.26Å; I75-T98 HydrophobicContact CB-CG2 4.25Å; I75-T98 HydrophobicContact CD1-CG2 4.26Å; I75-T98 HydrophobicContact CG2-CG2 3.96Å; L94-T98 WeakPolarHBondContact O-CB 3.36Å; L94-T98 WeakPolarHBondContact O-CG2 3.44Å; L94-T98 PolarHBondContact O-N 2.75Å; L94-T98 PolarHBondContact O-OG1 2.92Å; E95-T98 PolarHBondContact O-N 2.89Å; T98-L100 PolarHBondContact O-N 2.81Å; T98-L100 PolarHBondContact OG1-N 3.07Å |
| 99 | G | 97.9 | Very high | 98.3 | Very high | 67 Ų | 67 | 63.2 Ų | 63.2 | 69% | 0.691 | 33% | 0.33 | S | S | * | . | trans | 69.4 | 15.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E95 | E95-G99 WeakPolarHBondContact O-CA 3.49Å; E95-G99 PolarHBondContact O-N 3.02Å | ||
| 100 | L | 97.7 | Very high | 98.3 | Very high | 10 Ų | 10 | 59.1 Ų | 59.1 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | trans | -99.6 | 135.6 | -180 | -62.8 | 166.3 | 0 | 0 | 0 | 109.6 | T66 F68 Q72 L76 E95 T98 E102 I105 | T66-L100 HydrophobicContact CG2-CD2 4.06Å; F68-L100 HydrophobicContact CD1-CD1 3.54Å; F68-L100 HydrophobicContact CD1-CD2 4.16Å; F68-L100 HydrophobicContact CE1-CD1 3.74Å; F68-L100 HydrophobicContact CE1-CD2 4.27Å; Q72-L100 HydrophobicContact CB-CD1 4.08Å; Q72-L100 HydrophobicContact CG-CD1 4.13Å; L76-L100 HydrophobicContact CD1-CD1 4.31Å; E95-L100 VanDerWaalsContact CA-O 3.27Å; E95-L100 WeakPolarHBondContact CA-O 3.48Å; E95-L100 WeakPolarHBondContact CB-O 3.44Å; E95-L100 VanDerWaalsContact CG-O 3.24Å; E95-L100 WeakPolarHBondContact CG-O 3.49Å; T98-L100 PolarHBondContact O-N 2.81Å; T98-L100 PolarHBondContact OG1-N 3.07Å; L100-E102 PolarHBondContact O-N 3.42Å; L100-I105 HydrophobicContact CB-CD1 4.26Å; L100-I105 HydrophobicContact CB-CG1 4.04Å; L100-I105 WeakPolarHBondContact O-CD1 3.42Å | ||
| 101 | P | 98 | Very high | 98.3 | Very high | 62 Ų | 62 | 61.2 Ų | 61.2 | 40% | 0.403 | 33% | 0.329 | S | S | . | . | trans | -56 | 142 | 175.5 | -24.2 | 32.5 | 0 | 0 | 0 | 111.9 | S103 R104 I105 | P101-S103 PolarHBondContact O-N 3.1Å; P101-R104 HydrophobicContact CB-CG 4.27Å; P101-R104 HydrophobicContact CG-CG 4.26Å; P101-R104 WeakPolarHBondContact O-CA 3.39Å; P101-R104 WeakPolarHBondContact O-CB 3.49Å; P101-R104 PolarHBondContact O-N 2.93Å; P101-I105 PolarHBondContact O-N 3.48Å | ||
| 102 | E | 98.1 | Very high | 98.2 | Very high | 39 Ų | 39 | 61.9 Ų | 61.9 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -45.3 | -44.2 | 177.4 | -178.4 | -83.3 | 164.7 | 0 | 0 | 112.4 | I88 R91 E95 L100 R104 I105 Q106 | I88-E102 HydrophobicContact CD1-CG 4.01Å; I88-E102 WeakPolarHBondContact CD1-OE1 3.19Å; R91-E102 HydrophobicContact CB-CG 3.91Å; R91-E102 IonicContact CZ-OE1 3.21Å; R91-E102 IonicContact NE-OE1 2.75Å; R91-E102 PolarHBondContact NE-OE1 3.19Å; R91-E102 IonicContact NH2-OE1 2.79Å; R91-E102 PolarHBondContact NH2-OE1 3.32Å; E95-E102 WeakPolarHBondContact OE2-CB 3.41Å; E95-E102 PolarHBondContact OE2-N 3.37Å; L100-E102 PolarHBondContact O-N 3.42Å; E102-R104 VanDerWaalsContact C-N 3.28Å; E102-R104 PolarHBondContact O-N 3.11Å; E102-I105 CarbonylContact O-C 3.58Å; E102-I105 WeakPolarHBondContact O-CA 3.37Å; E102-I105 WeakPolarHBondContact O-CB 3.29Å; E102-I105 PolarHBondContact O-N 3.27Å; E102-I105 VanDerWaalsContact O-N 3.07Å; E102-Q106 PolarHBondContact O-N 2.8Å |
| 103 | S | 97.8 | Very high | 98.2 | Very high | 59 Ų | 59 | 59.4 Ų | 59.4 | 41% | 0.413 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.6 | -35.2 | 179 | 63 | 0 | 0 | 0 | 0 | 113.4 | P101 V107 | P101-S103 PolarHBondContact O-N 3.1Å; S103-V107 VanDerWaalsContact O-CG2 3.29Å; S103-V107 WeakPolarHBondContact O-CG2 3.43Å; S103-V107 PolarHBondContact O-N 3.47Å |
| 104 | R | 98.1 | Very high | 98.2 | Very high | 81 Ų | 81 | 52.3 Ų | 52.3 | 31% | 0.306 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -72.3 | -37.6 | 176.9 | -63.3 | -58.8 | -178.4 | 154.2 | 6.4 | 111 | K64 T66 P101 E102 W108 | K64-R104 PolarHBondContact O-NH2 3.46Å; K64-R104 VanDerWaalsContact O-NH2 3.16Å; T66-R104 VanDerWaalsContact OG1-CD 3.28Å; T66-R104 WeakPolarHBondContact OG1-CD 3.24Å; T66-R104 PolarHBondContact OG1-NE 2.79Å; T66-R104 VanDerWaalsContact OG1-NE 3.09Å; T66-R104 PolarHBondContact OG1-NH1 3.4Å; P101-R104 HydrophobicContact CB-CG 4.27Å; P101-R104 HydrophobicContact CG-CG 4.26Å; P101-R104 WeakPolarHBondContact O-CA 3.39Å; P101-R104 WeakPolarHBondContact O-CB 3.49Å; P101-R104 PolarHBondContact O-N 2.93Å; E102-R104 VanDerWaalsContact C-N 3.28Å; E102-R104 PolarHBondContact O-N 3.11Å; R104-W108 WeakPolarHBondContact O-CB 3.49Å; R104-W108 PolarHBondContact O-N 2.72Å |
| 105 | I | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.9 | -47.3 | 174 | -62.5 | 166.1 | 0 | 0 | 0 | 109.6 | L76 R91 L94 E95 L100 P101 E102 V107 W108 F109 | L76-I105 HydrophobicContact CD2-CG1 4.34Å; L76-I105 HydrophobicContact CD2-CG2 3.89Å; R91-I105 HydrophobicContact CB-CG2 4.39Å; R91-I105 HydrophobicContact CG-CG2 4.28Å; L94-I105 HydrophobicContact CB-CD1 3.81Å; L94-I105 HydrophobicContact CB-CG2 4.45Å; L94-I105 HydrophobicContact CD1-CG2 4.19Å; E95-I105 HydrophobicContact CB-CD1 4Å; E95-I105 VanDerWaalsContact N-CD1 3.35Å; L100-I105 HydrophobicContact CB-CD1 4.26Å; L100-I105 HydrophobicContact CB-CG1 4.04Å; L100-I105 WeakPolarHBondContact O-CD1 3.42Å; P101-I105 PolarHBondContact O-N 3.48Å; E102-I105 CarbonylContact O-C 3.58Å; E102-I105 WeakPolarHBondContact O-CA 3.37Å; E102-I105 WeakPolarHBondContact O-CB 3.29Å; E102-I105 PolarHBondContact O-N 3.27Å; E102-I105 VanDerWaalsContact O-N 3.07Å; I105-V107 PolarHBondContact O-N 2.95Å; I105-W108 WeakPolarHBondContact O-CB 3.26Å; I105-W108 PolarHBondContact O-N 3.11Å; I105-W108 VanDerWaalsContact O-N 3.1Å; I105-F109 HydrophobicContact CG2-CD2 3.79Å; I105-F109 HydrophobicContact CG2-CE2 3.78Å; I105-F109 WeakPolarHBondContact O-CD2 3.36Å; I105-F109 PolarHBondContact O-N 3.44Å |
| 106 | Q | 98.5 | Very high | 98 | Very high | 76 Ų | 76 | 56.4 Ų | 56.4 | 36% | 0.355 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -54.8 | -49.7 | 176.6 | -172.3 | -164.7 | -7.9 | 0 | 0 | 111.6 | E102 W108 F109 Q110 | E102-Q106 PolarHBondContact O-N 2.8Å; Q106-W108 VanDerWaalsContact C-N 3.34Å; Q106-W108 PolarHBondContact O-N 3.39Å; Q106-F109 PolarHBondContact O-N 2.78Å; Q106-Q110 WeakPolarHBondContact O-CG 3.49Å; Q106-Q110 PolarHBondContact O-N 3.49Å |
| 107 | V | 98.3 | Very high | 97.9 | Very high | 67 Ų | 67 | 59.7 Ų | 59.7 | 41% | 0.406 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.8 | -39.4 | 177.7 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | S103 I105 F109 Q110 N111 | S103-V107 VanDerWaalsContact O-CG2 3.29Å; S103-V107 WeakPolarHBondContact O-CG2 3.43Å; S103-V107 PolarHBondContact O-N 3.47Å; I105-V107 PolarHBondContact O-N 2.95Å; V107-F109 PolarHBondContact O-N 2.78Å; V107-Q110 PolarHBondContact O-N 3.34Å; V107-N111 WeakPolarHBondContact O-CB 3.49Å; V107-N111 VanDerWaalsContact O-CG 3.31Å; V107-N111 PolarHBondContact O-N 3.39Å; V107-N111 PolarHBondContact O-ND2 2.83Å |
| 108 | W | 98.4 | Very high | 97.6 | Very high | 27 Ų | 27 | 64.2 Ų | 64.2 | 10% | 0.102 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 175.8 | -173.9 | 101.8 | 0 | 0 | 0 | 111.5 | F68 L76 E77 R104 I105 Q106 Q110 N111 R112 | F68-W108 HydrophobicContact CE1-CB 4.49Å; F68-W108 AromaticContact CE2-CD1 3.87Å; F68-W108 HydrophobicContact CZ-CB 4.18Å; F68-W108 AromaticContact CZ-CD1 3.8Å; F68-W108 HydrophobicContact CZ-CG 4.39Å; L76-W108 HydrophobicContact CB-CD2 4.17Å; L76-W108 HydrophobicContact CB-CE3 3.97Å; L76-W108 HydrophobicContact CB-CH2 3.65Å; L76-W108 HydrophobicContact CB-CZ2 3.83Å; L76-W108 HydrophobicContact CB-CZ3 3.73Å; L76-W108 HydrophobicContact CD1-CD2 3.87Å; L76-W108 HydrophobicContact CD1-CE3 4.33Å; L76-W108 HydrophobicContact CD1-CG 3.97Å; E77-W108 HydrophobicContact CG-CH2 3.8Å; E77-W108 HydrophobicContact CG-CZ2 3.92Å; R104-W108 WeakPolarHBondContact O-CB 3.49Å; R104-W108 PolarHBondContact O-N 2.72Å; I105-W108 WeakPolarHBondContact O-CB 3.26Å; I105-W108 PolarHBondContact O-N 3.11Å; I105-W108 VanDerWaalsContact O-N 3.1Å; Q106-W108 VanDerWaalsContact C-N 3.34Å; Q106-W108 PolarHBondContact O-N 3.39Å; W108-Q110 VanDerWaalsContact C-N 3.34Å; W108-Q110 PolarHBondContact O-N 3.31Å; W108-N111 PolarHBondContact O-N 3.24Å; W108-R112 HydrophobicContact CE3-CB 4.15Å; W108-R112 HydrophobicContact CH2-CB 4.2Å; W108-R112 HydrophobicContact CH2-CG 3.89Å; W108-R112 HydrophobicContact CZ3-CB 3.93Å; W108-R112 HydrophobicContact CZ3-CG 3.98Å; W108-R112 WeakPolarHBondContact O-CB 3.45Å; W108-R112 PolarHBondContact O-N 3.22Å |
| 109 | F | 98.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.009 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 178 | -88 | -91.9 | 0 | 0 | 0 | 112.3 | L76 V79 Y80 P86 L94 I105 Q106 V107 R112 R113 | L76-F109 HydrophobicContact CD2-CE2 3.84Å; V79-F109 HydrophobicContact CB-CZ 4.23Å; V79-F109 HydrophobicContact CG1-CZ 4.02Å; Y80-F109 AromaticContact CD2-CD1 3.74Å; Y80-F109 HydrophobicContact CD2-CD1 3.74Å; Y80-F109 AromaticContact CD2-CE1 3.81Å; Y80-F109 HydrophobicContact CD2-CE1 3.81Å; Y80-F109 HydrophobicContact CE2-CD1 4.47Å; Y80-F109 HydrophobicContact CG-CE1 4.42Å; P86-F109 VanDerWaalsContact CD-CD1 3.41Å; P86-F109 HydrophobicContact CG-CD1 3.6Å; P86-F109 HydrophobicContact CG-CD2 3.9Å; P86-F109 HydrophobicContact CG-CE1 3.61Å; P86-F109 HydrophobicContact CG-CE2 3.91Å; P86-F109 HydrophobicContact CG-CG 3.77Å; P86-F109 HydrophobicContact CG-CZ 3.78Å; L94-F109 HydrophobicContact CD1-CE2 4.06Å; L94-F109 HydrophobicContact CD1-CZ 4.31Å; I105-F109 HydrophobicContact CG2-CD2 3.79Å; I105-F109 HydrophobicContact CG2-CE2 3.78Å; I105-F109 WeakPolarHBondContact O-CD2 3.36Å; I105-F109 PolarHBondContact O-N 3.44Å; Q106-F109 PolarHBondContact O-N 2.78Å; V107-F109 PolarHBondContact O-N 2.78Å; F109-R112 PolarHBondContact O-N 3.04Å; F109-R113 WeakPolarHBondContact O-CG 3.39Å; F109-R113 PolarHBondContact O-N 3.43Å |
| 110 | Q | 98.6 | Very high | 96.3 | Very high | 85 Ų | 85 | 69.8 Ų | 69.8 | 40% | 0.397 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 173.4 | -70.3 | 177.7 | 36.6 | 0 | 0 | 111.8 | Q106 V107 W108 R112 R113 A114 | Q106-Q110 WeakPolarHBondContact O-CG 3.49Å; Q106-Q110 PolarHBondContact O-N 3.49Å; V107-Q110 PolarHBondContact O-N 3.34Å; W108-Q110 VanDerWaalsContact C-N 3.34Å; W108-Q110 PolarHBondContact O-N 3.31Å; Q110-R112 VanDerWaalsContact C-N 3.33Å; Q110-R112 PolarHBondContact O-N 3.47Å; Q110-R113 PolarHBondContact O-N 3.42Å; Q110-A114 PolarHBondContact O-N 2.94Å |
| 111 | N | 98.1 | Very high | 94.8 | Very high | 101 Ų | 101 | 72.3 Ų | 72.3 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 178.2 | -72.4 | -19.9 | 0 | 0 | 0 | 111.6 | V107 W108 R113 A114 K115 | V107-N111 WeakPolarHBondContact O-CB 3.49Å; V107-N111 VanDerWaalsContact O-CG 3.31Å; V107-N111 PolarHBondContact O-N 3.39Å; V107-N111 PolarHBondContact O-ND2 2.83Å; W108-N111 PolarHBondContact O-N 3.24Å; N111-R113 PolarHBondContact O-N 2.94Å; N111-A114 WeakPolarHBondContact O-CB 3.38Å; N111-A114 PolarHBondContact O-N 2.81Å; N111-K115 PolarHBondContact O-N 3.46Å |
| 112 | R | 98.3 | Very high | 93 | Very high | 58 Ų | 58 | 73.6 Ų | 73.6 | 22% | 0.219 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 178.3 | -172.6 | 66.3 | -174.2 | 88.2 | -5.9 | 111.7 | E77 Y80 W108 F109 Q110 K115 S116 | E77-R112 IonicContact OE1-NE 3.8Å; Y80-R112 HydrophobicContact CD1-CG 3.92Å; Y80-R112 HydrophobicContact CD2-CB 4.37Å; Y80-R112 HydrophobicContact CD2-CG 3.8Å; Y80-R112 HydrophobicContact CE1-CG 3.74Å; Y80-R112 HydrophobicContact CE2-CB 4.06Å; Y80-R112 HydrophobicContact CE2-CG 3.61Å; Y80-R112 HydrophobicContact CG-CG 3.95Å; W108-R112 HydrophobicContact CE3-CB 4.15Å; W108-R112 HydrophobicContact CH2-CB 4.2Å; W108-R112 HydrophobicContact CH2-CG 3.89Å; W108-R112 HydrophobicContact CZ3-CB 3.93Å; W108-R112 HydrophobicContact CZ3-CG 3.98Å; W108-R112 WeakPolarHBondContact O-CB 3.45Å; W108-R112 PolarHBondContact O-N 3.22Å; F109-R112 PolarHBondContact O-N 3.04Å; Q110-R112 VanDerWaalsContact C-N 3.33Å; Q110-R112 PolarHBondContact O-N 3.47Å; R112-K115 PolarHBondContact O-N 2.93Å; R112-S116 PolarHBondContact O-N 3.24Å |
| 113 | R | 98.3 | Very high | 91.1 | Very high | 43 Ų | 43 | 76.5 Ų | 76.5 | 16% | 0.162 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 173.6 | -70.7 | -167.8 | -61.6 | -92.6 | 3.1 | 112.1 | Y80 K84 Y85 F109 Q110 N111 K115 S116 R117 | Y80-R113 HydrophobicContact CE2-CG 3.83Å; K84-R113 WeakPolarHBondContact O-CD 3.2Å; K84-R113 PolarHBondContact O-NH1 3.24Å; Y85-R113 VanDerWaalsContact CE1-CD 3.49Å; Y85-R113 VanDerWaalsContact CE1-NE 3.27Å; F109-R113 WeakPolarHBondContact O-CG 3.39Å; F109-R113 PolarHBondContact O-N 3.43Å; Q110-R113 PolarHBondContact O-N 3.42Å; N111-R113 PolarHBondContact O-N 2.94Å; R113-K115 VanDerWaalsContact C-N 3.34Å; R113-K115 PolarHBondContact O-N 3.31Å; R113-S116 WeakPolarHBondContact O-CB 3.5Å; R113-S116 PolarHBondContact O-N 3.06Å; R113-R117 PolarHBondContact O-N 3.42Å |
| 114 | A | 97.8 | Very high | 89.1 | Confident | 28 Ų | 28 | 82.8 Ų | 82.8 | 23% | 0.231 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q110 N111 S116 R117 R118 | Q110-A114 PolarHBondContact O-N 2.94Å; N111-A114 WeakPolarHBondContact O-CB 3.38Å; N111-A114 PolarHBondContact O-N 2.81Å; A114-S116 VanDerWaalsContact C-N 3.35Å; A114-S116 PolarHBondContact O-N 3.04Å; A114-R117 PolarHBondContact O-N 3.07Å; A114-R118 WeakPolarHBondContact O-CG 3.4Å; A114-R118 PolarHBondContact O-N 2.86Å |
| 115 | K | 96.8 | Very high | 87.1 | Confident | 128 Ų | 128 | 83.4 Ų | 83.4 | 56% | 0.557 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -60.3 | -43.8 | 174.2 | -168.3 | -176.3 | -178.4 | -179.9 | 0 | 111.5 | N111 R112 R113 R117 R118 Q119 | N111-K115 PolarHBondContact O-N 3.46Å; R112-K115 PolarHBondContact O-N 2.93Å; R113-K115 VanDerWaalsContact C-N 3.34Å; R113-K115 PolarHBondContact O-N 3.31Å; K115-R117 PolarHBondContact O-N 2.79Å; K115-R118 PolarHBondContact O-N 3.02Å; K115-Q119 WeakPolarHBondContact O-CG 3.47Å; K115-Q119 PolarHBondContact O-N 3.36Å |
| 116 | S | 95.9 | Very high | 84.6 | Confident | 40 Ų | 40 | 88.1 Ų | 88.1 | 28% | 0.28 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 178.8 | -161.4 | 0 | 0 | 0 | 0 | 112.6 | R112 R113 A114 R118 Q119 V120 | R112-S116 PolarHBondContact O-N 3.24Å; R113-S116 WeakPolarHBondContact O-CB 3.5Å; R113-S116 PolarHBondContact O-N 3.06Å; A114-S116 VanDerWaalsContact C-N 3.35Å; A114-S116 PolarHBondContact O-N 3.04Å; S116-R118 VanDerWaalsContact C-N 3.33Å; S116-R118 PolarHBondContact O-N 2.76Å; S116-Q119 PolarHBondContact O-N 2.97Å; S116-V120 PolarHBondContact O-N 3.2Å |
| 117 | R | 95.9 | Very high | 82.2 | Confident | 158 Ų | 158 | 90.4 Ų | 90.4 | 60% | 0.596 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.3 | -37.4 | 178.8 | -70.3 | -167.7 | -61.2 | -88.5 | 3.1 | 112.6 | R113 A114 K115 Q119 G121 | R113-R117 PolarHBondContact O-N 3.42Å; A114-R117 PolarHBondContact O-N 3.07Å; K115-R117 PolarHBondContact O-N 2.79Å; R117-Q119 VanDerWaalsContact C-N 3.35Å; R117-G121 PolarHBondContact O-N 3.46Å |
| 118 | R | 92.8 | Very high | 79.9 | Confident | 205 Ų | 205 | 91.6 Ų | 91.6 | 77% | 0.774 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.4 | -37.4 | 177.8 | -67.7 | 176.3 | -176.2 | -128.6 | 1.6 | 112.3 | A114 K115 S116 S122 | A114-R118 WeakPolarHBondContact O-CG 3.4Å; A114-R118 PolarHBondContact O-N 2.86Å; K115-R118 PolarHBondContact O-N 3.02Å; S116-R118 VanDerWaalsContact C-N 3.33Å; S116-R118 PolarHBondContact O-N 2.76Å; R118-S122 PolarHBondContact O-N 3.04Å |
| 119 | Q | 87.8 | Confident | 77.4 | Confident | 99 Ų | 99 | 96 Ų | 96 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69 | -40.7 | -179.9 | -68.9 | 175.1 | 19.9 | 0 | 0 | 112.6 | K115 S116 R117 G121 S122 | K115-Q119 WeakPolarHBondContact O-CG 3.47Å; K115-Q119 PolarHBondContact O-N 3.36Å; S116-Q119 PolarHBondContact O-N 2.97Å; R117-Q119 VanDerWaalsContact C-N 3.35Å; Q119-G121 VanDerWaalsContact C-N 3.32Å; Q119-G121 PolarHBondContact O-N 3.34Å; Q119-S122 PolarHBondContact O-N 3.02Å |
| 120 | V | 79.8 | Confident | 75.3 | Confident | 98 Ų | 98 | 102.6 Ų | 102.6 | 59% | 0.594 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70.6 | -28.3 | 179.8 | -179.2 | 0 | 0 | 0 | 0 | 112.2 | S116 T123 | S116-V120 PolarHBondContact O-N 3.2Å; V120-T123 PolarHBondContact O-OG1 3.44Å |
| 121 | G | 65.9 | Low | 72.6 | Confident | 62 Ų | 62 | 102.3 Ų | 102.3 | 64% | 0.639 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -74.5 | -23.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R117 Q119 | R117-G121 PolarHBondContact O-N 3.46Å; Q119-G121 VanDerWaalsContact C-N 3.32Å; Q119-G121 PolarHBondContact O-N 3.34Å |
| 122 | S | 60 | Low | 69.7 | Low | 90 Ų | 90 | 101 Ų | 101 | 63% | 0.629 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -87.9 | -18.2 | -175.9 | -171.8 | 0 | 0 | 0 | 0 | 114 | R118 Q119 | R118-S122 PolarHBondContact O-N 3.04Å; Q119-S122 PolarHBondContact O-N 3.02Å |
| 123 | T | 59.8 | Low | 67.6 | Low | 99 Ų | 99 | 104.3 Ų | 104.3 | 61% | 0.607 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -2.8 | -173 | 52.7 | 0 | 0 | 0 | 0 | 114.4 | V120 | V120-T123 PolarHBondContact O-OG1 3.44Š|
| 124 | K | 54.7 | Low | 65 | Low | 192 Ų | 192 | 112.1 Ų | 112.1 | 84% | 0.835 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 3.8 | 176.6 | -69.4 | -151.8 | 174.9 | -173.5 | 0 | 115.2 | ||
| 125 | A | 55.4 | Low | 62.1 | Low | 94 Ų | 94 | 114.3 Ų | 114.3 | 78% | 0.777 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -108.5 | 17.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 126 | S | 47.6 | Very low | 60 | Low | 99 Ų | 99 | 115 Ų | 115 | 69% | 0.692 | 71% | 0.712 | S | S | * | * | trans | -122.7 | 75.8 | -179.7 | 51.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 127 | S | 46.8 | Very low | 57.5 | Low | 123 Ų | 123 | 121.5 Ų | 121.5 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | trans | -144.2 | 54 | 162.2 | 68.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 128 | A | 51 | Low | 55 | Low | 92 Ų | 92 | 119.5 Ų | 119.5 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -133.6 | 144 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 129 | P | 46 | Very low | 52.6 | Low | 120 Ų | 120 | 113.6 Ų | 113.6 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | trans | -74.9 | 157.9 | -166.5 | 32 | -34.5 | 0 | 0 | 0 | 112.5 | G131 | P129-G131 PolarHBondContact O-N 3.48Š| ||
| 130 | P | 54.5 | Low | 50.1 | Low | 140 Ų | 140 | 119 Ų | 119 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | trans | -86.2 | 114 | -177 | 33.6 | -28.3 | 0 | 0 | 0 | 109.9 | ||||
| 131 | G | 40.7 | Very low | 47.7 | Very low | 80 Ų | 80 | 121 Ų | 121 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | -176.6 | 110.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P129 | P129-G131 PolarHBondContact O-N 3.48Š| ||
| 132 | G | 37.3 | Very low | 45.9 | Very low | 72 Ų | 72 | 123.9 Ų | 123.9 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | trans | 112 | 122.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 133 | P | 54.6 | Low | 45 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | trans | -84.4 | 143.6 | 175 | 34.7 | -29.4 | 0 | 0 | 0 | 110.5 | ||||
| 134 | F | 44.4 | Very low | 44 | Very low | 207 Ų | 207 | 127.8 Ų | 127.8 | 91% | 0.908 | 77% | 0.772 | S | S | * | * | trans | 67.5 | 105.7 | 158.7 | -147.8 | -98.2 | 0 | 0 | 0 | 117.9 | ||||
| 135 | G | 36.3 | Very low | 43.2 | Very low | 75 Ų | 75 | 127.9 Ų | 127.9 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -174.9 | 60.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L137 | G135-L137 PolarHBondContact O-N 3.28Š| ||
| 136 | Q | 51.5 | Low | 42.7 | Very low | 143 Ų | 143 | 129.6 Ų | 129.6 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | trans | -73.5 | 117.7 | 167.5 | -163 | 178.3 | 10.3 | 0 | 0 | 108 | Q138 | Q136-Q138 VanDerWaalsContact CD-CG 3.41Å; Q136-Q138 HydrophobicContact CG-CG 3.6Å | ||
| 137 | L | 43.7 | Very low | 42.4 | Very low | 176 Ų | 176 | 131.1 Ų | 131.1 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | trans | -103.5 | 96.5 | 152.4 | -138.5 | 132 | 0 | 0 | 0 | 106.9 | G135 | G135-L137 PolarHBondContact O-N 3.28Š| ||
| 138 | Q | 44.6 | Very low | 42.3 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 54% | 0.542 | 76% | 0.761 | S | S | . | * | trans | -57.8 | 164.2 | 166.1 | -61.8 | 178.3 | -7.1 | 0 | 0 | 109.1 | Q136 | Q136-Q138 VanDerWaalsContact CD-CG 3.41Å; Q136-Q138 HydrophobicContact CG-CG 3.6Å | ||
| 139 | S | 42.8 | Very low | 42 | Very low | 81 Ų | 81 | 131.9 Ų | 131.9 | 57% | 0.566 | 75% | 0.746 | S | S | * | * | 162.5 | 155.5 | 69.9 | -151.1 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 140 | R | 34.3 | Very low | 42 | Very low | 212 Ų | 212 | 133.6 Ų | 133.6 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | S | Bend | -170.3 | 141 | 53.9 | -81.4 | -163.9 | 152.5 | 172.8 | -2.3 | 108.8 | |||
| 141 | M | 28.6 | Very low | 41.7 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | cis | -154.5 | 141.7 | 8.5 | -70.2 | -54.6 | -156 | 0 | 0 | 109.2 | ||||
| 142 | C | 30 | Very low | 42.3 | Very low | 124 Ų | 124 | 133 Ų | 133 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | trans | -157.7 | 129.2 | 146 | -157.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 143 | P | 40.1 | Very low | 42.9 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 84% | 0.844 | 72% | 0.718 | S | S | * | * | trans | -79.4 | 144.4 | -175.2 | 31.4 | -31.7 | 0 | 0 | 0 | 112 | ||||
| 144 | E | 38 | Very low | 43 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 66% | 0.659 | 71% | 0.71 | S | S | * | * | trans | -102 | 116.9 | -174.7 | 177.5 | -164.5 | 128.8 | 0 | 0 | 109.4 | ||||
| 145 | K | 39.6 | Very low | 43.4 | Very low | 193 Ų | 193 | 136.9 Ų | 136.9 | 84% | 0.839 | 70% | 0.703 | S | S | * | * | trans | -141.7 | 143.3 | 148.9 | -72.9 | -171.3 | 179 | 176.9 | 0 | 106.9 | ||||
| 146 | D | 43.9 | Very low | 43.7 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 70% | 0.695 | 70% | 0.697 | S | S | * | * | trans | 79.3 | 61 | -179.6 | -61 | -28.1 | 0 | 0 | 0 | 119.2 | ||||
| 147 | Q | 42.7 | Very low | 43.1 | Very low | 132 Ų | 132 | 140 Ų | 140 | 62% | 0.617 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -90.2 | -5 | 156.2 | -65.9 | -172.4 | 31.8 | 0 | 0 | 113.6 | ||
| 148 | Q | 43.7 | Very low | 42.9 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 77% | 0.771 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -78.6 | -18.8 | 179.2 | -118.4 | 92.4 | 15.6 | 0 | 0 | 114.2 | T152 | Q148-T152 PolarHBondContact O-OG1 3.45Å |
| 149 | S | 45.4 | Very low | 42.6 | Very low | 66 Ų | 66 | 138.5 Ų | 138.5 | 46% | 0.462 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -88.7 | -31.1 | -173.3 | 53.9 | 0 | 0 | 0 | 0 | 114 | ||
| 150 | F | 44.3 | Very low | 42.1 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 68% | 0.684 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -77.2 | -32.4 | -177.4 | -96.6 | -88.8 | 0 | 0 | 0 | 114.2 | T152 | F150-T152 VanDerWaalsContact C-N 3.33Å |
| 151 | L | 49.5 | Very low | 41.9 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 63% | 0.628 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -75.5 | -24.2 | 176.5 | -63.8 | 179.6 | 0 | 0 | 0 | 112.3 | L155 | L151-L155 PolarHBondContact O-N 3.3Å |
| 152 | T | 52.3 | Low | 42.2 | Very low | 87 Ų | 87 | 136.8 Ų | 136.8 | 53% | 0.534 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -72.8 | -29 | 175.7 | -52.7 | 0 | 0 | 0 | 0 | 112.2 | Q148 F150 S156 | Q148-T152 PolarHBondContact O-OG1 3.45Å; F150-T152 VanDerWaalsContact C-N 3.33Å; T152-S156 PolarHBondContact O-OG 3.39Å; T152-S156 VanDerWaalsContact O-OG 3.11Å |
| 153 | W | 50.5 | Low | 42.4 | Very low | 215 Ų | 215 | 138.8 Ų | 138.8 | 81% | 0.814 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -77.7 | -28.8 | 177 | -159.9 | 68.5 | 0 | 0 | 0 | 113.7 | ||
| 154 | L | 57.6 | Low | 41.9 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 67% | 0.67 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -87.2 | -14.3 | 179.7 | -72.9 | 172.3 | 0 | 0 | 0 | 114 | ||
| 155 | L | 51.8 | Low | 41.6 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 76% | 0.759 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -111.9 | 5.3 | -178.2 | -65.6 | 176.5 | 0 | 0 | 0 | 114.8 | L151 F157 | L151-L155 PolarHBondContact O-N 3.3Å; L155-F157 VanDerWaalsContact C-N 3.35Å; L155-F157 PolarHBondContact O-N 3.36Å |
| 156 | S | 43.8 | Very low | 41.3 | Very low | 91 Ų | 91 | 134.3 Ų | 134.3 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | trans | -84.3 | 72.2 | 174.6 | -73.5 | 0 | 0 | 0 | 0 | 112.7 | T152 | T152-S156 PolarHBondContact O-OG 3.39Å; T152-S156 VanDerWaalsContact O-OG 3.11Å | ||
| 157 | F | 37 | Very low | 40.9 | Very low | 194 Ų | 194 | 135.2 Ų | 135.2 | 85% | 0.851 | 72% | 0.716 | S | S | * | * | trans | -113.2 | 110.6 | 146.1 | -81.3 | -79.7 | 0 | 0 | 0 | 106.9 | L155 V159 | L155-F157 VanDerWaalsContact C-N 3.35Å; L155-F157 PolarHBondContact O-N 3.36Å; F157-V159 PolarHBondContact O-N 3.39Å | ||
| 158 | P | 40.3 | Very low | 40.4 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | trans | -75.8 | 110 | 172.4 | 29 | -28.9 | 0 | 0 | 0 | 108.8 | Y160 | P158-Y160 PolarHBondContact O-N 3.47Š| ||
| 159 | V | 38.2 | Very low | 39.9 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 84% | 0.836 | 72% | 0.721 | S | S | * | * | trans | -71.2 | 101.6 | 148 | 171 | 0 | 0 | 0 | 0 | 105.1 | F157 D161 | F157-V159 PolarHBondContact O-N 3.39Å; V159-D161 PolarHBondContact O-N 2.96Å | ||
| 160 | Y | 32.7 | Very low | 39.2 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | trans | -80.4 | 111.1 | 167.8 | -170.7 | -96.2 | 0 | 0 | 0 | 107.6 | P158 | P158-Y160 PolarHBondContact O-N 3.47Š| ||
| 161 | D | 30 | Very low | 38.5 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | trans | -103.3 | 146.9 | 163 | -171.5 | 8 | 0 | 0 | 0 | 108.6 | V159 | V159-D161 PolarHBondContact O-N 2.96Š| ||
| 162 | S | 35.9 | Very low | 37.5 | Very low | 80 Ų | 80 | 135.1 Ų | 135.1 | 56% | 0.559 | 76% | 0.755 | S | S | * | * | trans | 92.1 | 105.9 | 158.8 | -66.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 163 | H | 33.7 | Very low | 36.7 | Very low | 166 Ų | 166 | 138 Ų | 138 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | -149.1 | 131.7 | 113.1 | 42.4 | -89.8 | 0 | 0 | 0 | 110.1 | |||||
| 164 | G | 29.8 | Very low | 36 | Very low | 70 Ų | 70 | 134.9 Ų | 134.9 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | -82.7 | 170.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 165 | T | 31.9 | Very low | 34.9 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 91% | 0.914 | 77% | 0.768 | S | S | * | * | trans | -145.6 | 124.3 | 149.7 | -41.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 166 | E | 32.7 | Very low | 33.8 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 71% | 0.71 | 77% | 0.768 | S | S | * | * | trans | -55.7 | 134.9 | 173.5 | 176.6 | -173.5 | 165 | 0 | 0 | 113.9 | ||||
| 167 | V | 34.5 | Very low | 33.2 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | -148.3 | 134.1 | 140.7 | -175.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 168 | H | 32.8 | Very low | 33.1 | Very low | 140 Ų | 140 | 138 Ų | 138 | 65% | 0.648 | 79% | 0.785 | S | S | * | * | trans | -60.3 | 155.5 | -177.6 | -88.5 | -138.4 | 0 | 0 | 0 | 118.8 | ||||
| 169 | R | 32.3 | Very low | 32.8 | Very low | 222 Ų | 222 | 135.3 Ų | 135.3 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | 77.4 | 112.9 | 140.2 | -92.8 | -170.1 | -161.6 | -167.7 | 5.4 | 122.2 | ||||
| 170 | S | 30.7 | Very low | 32.4 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | 139.6 | 129.1 | 85.8 | -93.4 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 171 | G | 29.7 | Very low | 32.2 | Very low | 84 Ų | 84 | 134.3 Ų | 134.3 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | trans | 83.4 | 120.6 | 152.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 172 | G | 29.3 | Very low | 32.7 | Very low | 83 Ų | 83 | 135.9 Ų | 135.9 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | cis | 104.8 | 105 | 20 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 173 | L | 34.9 | Very low | 32.4 | Very low | 147 Ų | 147 | 142 Ų | 142 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | 168 | 94.9 | 148.3 | -151.6 | 71.1 | 0 | 0 | 0 | 108.3 | ||||
| 174 | E | 36.7 | Very low | 32.4 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 70% | 0.696 | 81% | 0.806 | S | S | * | * | 45.6 | 125.6 | 91.4 | 83 | -160.6 | 147.3 | 0 | 0 | 113.3 | |||||
| 175 | D | 34.3 | Very low | 32.2 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | cis | -167.5 | 165.9 | 44.4 | -86.5 | -50.9 | 0 | 0 | 0 | 112.2 | ||||
| 176 | G | 29.1 | Very low | 32 | Very low | 74 Ų | 74 | 139 Ų | 139 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | 132.3 | 77.1 | 141.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 177 | W | 30.7 | Very low | 31.8 | Very low | 247 Ų | 247 | 142.1 Ų | 142.1 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | trans | -76.8 | 152.5 | 165 | -80.3 | 71.3 | 0 | 0 | 0 | 112.6 | ||||
| 178 | T | 35.6 | Very low | 31.9 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | 152.2 | 136.9 | 146.8 | 42.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 179 | G | 32.8 | Very low | 31.8 | Very low | 65 Ų | 65 | 145.6 Ų | 145.6 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | cis | 134.3 | 96 | 18.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 180 | V | 30 | Very low | 31.7 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | 76.1 | 137 | 141.6 | -173 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 181 | Q | 29.5 | Very low | 32.4 | Very low | 173 Ų | 173 | 145.1 Ų | 145.1 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | trans | 89.6 | 104 | 148.8 | -95.9 | 174.2 | -85.5 | 0 | 0 | 123.6 | ||||
| 182 | L | 39.3 | Very low | 33.2 | Very low | 161 Ų | 161 | 147.3 Ų | 147.3 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | 26.3 | 114.7 | 111.4 | -155.8 | 76.8 | 0 | 0 | 0 | 119.2 | |||||
| 183 | K | 29.9 | Very low | 33.3 | Very low | 210 Ų | 210 | 148.6 Ų | 148.6 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | trans | -160.5 | 140.1 | 133.3 | -116.5 | 171.9 | -178.4 | 177.2 | 0 | 112.7 | ||||
| 184 | S | 33.2 | Very low | 33.5 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -75.3 | 146.1 | 172.5 | 173.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 185 | S | 27.2 | Very low | 33.6 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -172.1 | 100.9 | 155.3 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 186 | S | 27.7 | Very low | 33.7 | Very low | 101 Ų | 101 | 150.5 Ų | 150.5 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | 56 | 102.2 | 91.6 | -68.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 187 | Y | 28.6 | Very low | 33.9 | Very low | 218 Ų | 218 | 154.7 Ų | 154.7 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | -176.4 | 144.8 | 97.9 | -151.8 | -101.6 | 0 | 0 | 0 | 112.4 | |||||
| 188 | E | 35.2 | Very low | 34.1 | Very low | 150 Ų | 150 | 151.4 Ų | 151.4 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | -64.4 | 163.1 | -176.7 | -92.7 | -83.6 | 166.8 | 0 | 0 | 117 | ||||
| 189 | R | 30.3 | Very low | 34 | Very low | 212 Ų | 212 | 147.9 Ų | 147.9 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | -174.6 | 111.8 | 125.1 | -100.3 | -166.2 | -137.3 | 147.2 | 12 | 114.7 | |||||
| 190 | E | 30.9 | Very low | 34.4 | Very low | 158 Ų | 158 | 152.3 Ų | 152.3 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | 90.2 | 98.6 | 127.9 | -54.6 | -82.5 | 143 | 0 | 0 | 119.3 | |||||
| 191 | L | 45.9 | Very low | 34.6 | Very low | 163 Ų | 163 | 157.2 Ų | 157.2 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 149.4 | 145.5 | -74.6 | 158.7 | 0 | 0 | 0 | 109.9 | ||
| 192 | P | 47.1 | Very low | 34.8 | Very low | 129 Ų | 129 | 153.1 Ų | 153.1 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 136.2 | 155.9 | 12.6 | 6 | 0 | 0 | 0 | 111.7 | ||
| 193 | S | 30.1 | Very low | 35.1 | Very low | 110 Ų | 110 | 151.8 Ų | 151.8 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 165.3 | -179.2 | 63 | 0 | 0 | 0 | 0 | 114.3 | ||
| 194 | C | 39.9 | Very low | 35.3 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 140.5 | 169 | 48.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 195 | I | 37.9 | Very low | 35.4 | Very low | 162 Ų | 162 | 150.7 Ų | 150.7 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | trans | -149.9 | 138.5 | 149.1 | -65.5 | -162.8 | 0 | 0 | 0 | 110.4 | ||||
| 196 | Y | 36.6 | Very low | 35.8 | Very low | 213 Ų | 213 | 153.7 Ų | 153.7 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | -56.9 | 155.2 | 171.4 | -93.3 | -108 | 0 | 0 | 0 | 114.9 | ||||
| 197 | D | 33.4 | Very low | 36.3 | Very low | 162 Ų | 162 | 157 Ų | 157 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | -142.6 | 147.1 | 145.1 | -163.2 | -118 | 0 | 0 | 0 | 113.3 | ||||
| 198 | K | 35.7 | Very low | 36.7 | Very low | 178 Ų | 178 | 154.2 Ų | 154.2 | 77% | 0.774 | 82% | 0.817 | S | S | * | * | trans | -102.3 | 135.7 | -169.6 | -74.2 | -145.3 | 178.1 | -168.5 | 0 | 112.4 | ||||
| 199 | G | 32.7 | Very low | 36.9 | Very low | 74 Ų | 74 | 155.1 Ų | 155.1 | 76% | 0.763 | 82% | 0.824 | S | S | * | * | 69.2 | 113.6 | 128.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 200 | T | 41.9 | Very low | 37.3 | Very low | 157 Ų | 157 | 153.7 Ų | 153.7 | 96% | 0.963 | 82% | 0.824 | S | S | * | * | trans | -145.4 | 153.2 | 143.7 | -37.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 201 | R | 33.2 | Very low | 37.9 | Very low | 235 Ų | 235 | 152.3 Ų | 152.3 | 89% | 0.887 | 83% | 0.829 | S | S | * | * | trans | -108.3 | 131.8 | -150.5 | 170.3 | -174.5 | -172.2 | -174.7 | 3.6 | 112.5 | ||||
| 202 | A | 34.8 | Very low | 37.4 | Very low | 88 Ų | 88 | 149.7 Ų | 149.7 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | trans | 63.3 | 165.3 | 144.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 203 | P | 45.7 | Very low | 36.7 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | cis | -130.5 | -178.5 | 6.1 | 39.3 | -19.7 | 0 | 0 | 0 | 116.6 | ||||
| 204 | A | 32.6 | Very low | 37.1 | Very low | 97 Ų | 97 | 146.6 Ų | 146.6 | 80% | 0.802 | 83% | 0.829 | S | S | * | * | trans | -69.2 | 152.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 205 | E | 35.9 | Very low | 37.4 | Very low | 201 Ų | 201 | 147.4 Ų | 147.4 | 94% | 0.939 | 83% | 0.831 | S | S | * | * | trans | -140.5 | 158.9 | 142.8 | -125 | -170.5 | 164.3 | 0 | 0 | 110.6 | ||||
| 206 | Q | 35.7 | Very low | 38 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | trans | -118.4 | 113.1 | -140.6 | 177.5 | 179.7 | 31.1 | 0 | 0 | 108.7 | ||||
| 207 | I | 38.9 | Very low | 38.3 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | trans | -136.8 | 123.7 | 159.6 | -56.7 | -178.9 | 0 | 0 | 0 | 109.8 | ||||
| 208 | Q | 37.3 | Very low | 38.6 | Very low | 159 Ų | 159 | 138 Ų | 138 | 74% | 0.743 | 82% | 0.819 | S | S | * | * | trans | -106.3 | 113.9 | -168.3 | 170.3 | 176.4 | 31.4 | 0 | 0 | 109.1 | ||||
| 209 | I | 38.5 | Very low | 38.7 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 86% | 0.862 | 82% | 0.821 | S | S | * | * | trans | -145.3 | 130.6 | 152.5 | -54.5 | -176.6 | 0 | 0 | 0 | 109.1 | ||||
| 210 | K | 39.5 | Very low | 39.2 | Very low | 182 Ų | 182 | 138.6 Ų | 138.6 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | -79.3 | 165.5 | -173.4 | -75.6 | 176.4 | 178 | 175.4 | 0 | 113.8 | ||||
| 211 | P | 43.7 | Very low | 39.2 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -94.3 | 144.6 | -176.4 | 36.8 | -31.2 | 0 | 0 | 0 | 113.5 | ||||
| 212 | A | 34.1 | Very low | 39.4 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | trans | -159.6 | 139.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 213 | G | 33.3 | Very low | 39.5 | Very low | 70 Ų | 70 | 139.7 Ų | 139.7 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | cis | 173.8 | 150.6 | 2.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 214 | A | 38.5 | Very low | 39.7 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | 50.3 | 116.1 | 150.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 215 | V | 46.7 | Very low | 39.9 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | -60.7 | 149.7 | 152.6 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 216 | P | 49.8 | Very low | 40 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -123.6 | 112.3 | 147.5 | 32.2 | -18.4 | 0 | 0 | 0 | 109.5 | ||||
| 217 | S | 42.3 | Very low | 40.7 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | 51.5 | 107 | 77.8 | -158.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 218 | C | 39 | Very low | 40.6 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | -55.2 | 129.7 | 170.3 | 48.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 219 | C | 38.6 | Very low | 40.6 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -137.9 | 133.7 | 165.5 | -76.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 220 | I | 42.8 | Very low | 40.5 | Very low | 144 Ų | 144 | 138.3 Ų | 138.3 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | -66.2 | 139.6 | -179.1 | -66.5 | -176.7 | 0 | 0 | 0 | 110.8 | L222 | I220-L222 PolarHBondContact O-N 2.92Š| ||
| 221 | P | 43 | Very low | 40.6 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -79.9 | 104.6 | 161.4 | -8.5 | 26.3 | 0 | 0 | 0 | 109.8 | ||||
| 222 | L | 37.8 | Very low | 40.3 | Very low | 162 Ų | 162 | 141 Ų | 141 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 127.2 | 159 | -75.4 | 164.6 | 0 | 0 | 0 | 107.7 | I220 | I220-L222 PolarHBondContact O-N 2.92Š|
| 223 | Y | 36.8 | Very low | 40.4 | Very low | 222 Ų | 222 | 142 Ų | 142 | 87% | 0.871 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 148.6 | 174.3 | -122.2 | -96 | 0 | 0 | 0 | 110.5 | ||
| 224 | P | 49.4 | Very low | 40.7 | Very low | 102 Ų | 102 | 148.7 Ų | 148.7 | 66% | 0.662 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 150.8 | -170.3 | -7.3 | 26.2 | 0 | 0 | 0 | 113.8 | ||
| 225 | D | 37.2 | Very low | 40.5 | Very low | 149 Ų | 149 | 149.8 Ų | 149.8 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 127.3 | 173.9 | -154.7 | -3.1 | 0 | 0 | 0 | 109.7 | ||
| 226 | E | 37.9 | Very low | 40 | Very low | 181 Ų | 181 | 148.8 Ų | 148.8 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -119.3 | 109.4 | 173.8 | -74.2 | -79.8 | 141.8 | 0 | 0 | 108.6 | ||||
| 227 | L | 49.8 | Very low | 39.5 | Very low | 133 Ų | 133 | 150.8 Ų | 150.8 | 70% | 0.696 | 79% | 0.794 | S | S | * | * | trans | -89.6 | 143.1 | 176.8 | -141.7 | 90.9 | 0 | 0 | 0 | 110.1 | ||||
| 228 | E | 37.1 | Very low | 39.8 | Very low | 145 Ų | 145 | 152.4 Ų | 152.4 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | 80.3 | 122.7 | 156.5 | -53.7 | -92.7 | 134.6 | 0 | 0 | 118.2 | ||||
| 229 | H | 35.9 | Very low | 39.5 | Very low | 169 Ų | 169 | 149.8 Ų | 149.8 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | 168 | 108.5 | 108.4 | -86.9 | 75.2 | 0 | 0 | 0 | 110.3 | |||||
| 230 | H | 37.6 | Very low | 39.4 | Very low | 193 Ų | 193 | 150.7 Ų | 150.7 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | trans | -74.8 | 144.1 | 161.7 | -84 | -72.1 | 0 | 0 | 0 | 110.5 | ||||
| 231 | P | 42.3 | Very low | 39.9 | Very low | 117 Ų | 117 | 153 Ų | 153 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -131.6 | 135.8 | 133 | 31 | -17.8 | 0 | 0 | 0 | 113 | ||||
| 232 | R | 36.8 | Very low | 39.8 | Very low | 249 Ų | 249 | 149.9 Ų | 149.9 | 94% | 0.94 | 79% | 0.79 | S | S | * | * | trans | -71.6 | 128.9 | 166.5 | -81.2 | -176.4 | 169.2 | 177 | -2.7 | 110 | ||||
| 233 | T | 35.5 | Very low | 40.4 | Very low | 131 Ų | 131 | 148.2 Ų | 148.2 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -130.2 | 130.9 | 157.2 | 45.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 234 | K | 39.4 | Very low | 40.9 | Very low | 210 Ų | 210 | 146.1 Ų | 146.1 | 91% | 0.913 | 79% | 0.787 | S | S | * | * | trans | -68.2 | 132.8 | -176.3 | -59.5 | 167 | -179.5 | 174.9 | 0 | 109.8 | ||||
| 235 | T | 34.7 | Very low | 41 | Very low | 127 Ų | 127 | 148.3 Ų | 148.3 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -111.9 | 118.3 | 173.6 | -63 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 236 | S | 37.4 | Very low | 41.6 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -84 | 130 | 159.1 | 52.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 237 | M | 39.1 | Very low | 42.4 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | trans | -67.8 | 159.2 | 168.5 | -65.4 | -62.9 | -89.5 | 0 | 0 | 109.8 | ||||
| 238 | P | 48 | Very low | 42.6 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 84% | 0.844 | 78% | 0.777 | S | S | * | * | cis | -147.4 | 165 | 42.5 | 39.2 | -18.1 | 0 | 0 | 0 | 117.4 | ||||
| 239 | G | 33.3 | Very low | 43.4 | Very low | 68 Ų | 68 | 146.6 Ų | 146.6 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | 138.6 | 108.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 240 | N | 36.4 | Very low | 44.4 | Very low | 141 Ų | 141 | 145 Ų | 145 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | 81.2 | 82.8 | 144.2 | -133.9 | 3.8 | 0 | 0 | 0 | 119.3 | G242 | N240-G242 PolarHBondContact O-N 3.35Š| ||
| 241 | Q | 52.6 | Low | 45.2 | Very low | 191 Ų | 191 | 142.6 Ų | 142.6 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | 31.4 | 88.9 | 124.9 | -51.4 | -174.3 | 97.5 | 0 | 0 | 117.3 | |||||
| 242 | G | 40.9 | Very low | 45.8 | Very low | 54 Ų | 54 | 144.4 Ų | 144.4 | 56% | 0.557 | 77% | 0.767 | S | S | * | * | trans | -127.2 | 140 | 147.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | N240 Q244 | N240-G242 PolarHBondContact O-N 3.35Å; G242-Q244 PolarHBondContact O-N 3.39Å | ||
| 243 | P | 50.2 | Low | 46.6 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | trans | -67.2 | 107 | 179.9 | 27.1 | -30.3 | 0 | 0 | 0 | 108.2 | I245 | P243-I245 PolarHBondContact O-N 3.31Š| ||
| 244 | Q | 48 | Very low | 47.3 | Very low | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | trans | -60.2 | 109.5 | 165.1 | -64 | -74.3 | 29.1 | 0 | 0 | 106.2 | G242 L246 | G242-Q244 PolarHBondContact O-N 3.39Å; Q244-L246 PolarHBondContact O-N 3.33Å | ||
| 245 | I | 51.1 | Low | 47.7 | Very low | 149 Ų | 149 | 134 Ų | 134 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | trans | -69 | 79.6 | 159.8 | -66.2 | 174.2 | 0 | 0 | 0 | 105.1 | P243 V247 | P243-I245 PolarHBondContact O-N 3.31Å; I245-V247 HydrophobicContact CG2-CG1 4.11Å; I245-V247 PolarHBondContact O-N 3.45Å | ||
| 246 | L | 50.1 | Low | 48.8 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | trans | -64 | 96.1 | 153 | -176.3 | 70.8 | 0 | 0 | 0 | 103.6 | Q244 E248 | Q244-L246 PolarHBondContact O-N 3.33Å; L246-E248 PolarHBondContact O-N 3.34Å | ||
| 247 | V | 54.9 | Low | 49.7 | Very low | 100 Ų | 100 | 138 Ų | 138 | 61% | 0.606 | 75% | 0.749 | S | S | * | * | trans | -60.3 | 91.6 | 161.3 | -97.8 | 0 | 0 | 0 | 0 | 105.5 | I245 Y249 | I245-V247 HydrophobicContact CG2-CG1 4.11Å; I245-V247 PolarHBondContact O-N 3.45Å; V247-Y249 VanDerWaalsContact C-N 3.33Å; V247-Y249 HydrophobicContact CB-CD2 4.3Å; V247-Y249 HydrophobicContact CB-CE2 4.31Å; V247-Y249 HydrophobicContact CG2-CD2 4.4Å; V247-Y249 HydrophobicContact CG2-CE2 4.16Å; V247-Y249 WeakPolarHBondContact O-CD2 3.42Å; V247-Y249 PolarHBondContact O-N 3.45Å | ||
| 248 | E | 53 | Low | 50.7 | Low | 138 Ų | 138 | 136.8 Ų | 136.8 | 65% | 0.645 | 75% | 0.745 | S | S | * | * | trans | -59.3 | 99.7 | 168.7 | -173.9 | 170.7 | -154.2 | 0 | 0 | 106 | L246 D250 | L246-E248 PolarHBondContact O-N 3.34Å; E248-D250 HydrophobicContact CG-CB 4.1Å; E248-D250 PolarHBondContact O-N 3.24Å | ||
| 249 | Y | 53.8 | Low | 51.3 | Low | 185 Ų | 185 | 131.5 Ų | 131.5 | 73% | 0.725 | 71% | 0.714 | S | S | * | * | trans | -74.2 | 32.7 | -179.3 | -103.2 | -88.4 | 0 | 0 | 0 | 112.1 | V247 F252 | V247-Y249 VanDerWaalsContact C-N 3.33Å; V247-Y249 HydrophobicContact CB-CD2 4.3Å; V247-Y249 HydrophobicContact CB-CE2 4.31Å; V247-Y249 HydrophobicContact CG2-CD2 4.4Å; V247-Y249 HydrophobicContact CG2-CE2 4.16Å; V247-Y249 WeakPolarHBondContact O-CD2 3.42Å; V247-Y249 PolarHBondContact O-N 3.45Å; Y249-F252 HydrophobicContact CD1-CD2 4.43Å; Y249-F252 AromaticContact CD1-CE2 3.94Å; Y249-F252 HydrophobicContact CD1-CE2 3.94Å; Y249-F252 HydrophobicContact CE1-CE2 4.1Å | ||
| 250 | D | 58.3 | Low | 52.6 | Low | 137 Ų | 137 | 134.7 Ų | 134.7 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | -110.3 | 18.2 | -176.4 | -125.4 | -13.4 | 0 | 0 | 0 | 113.1 | E248 | E248-D250 HydrophobicContact CG-CB 4.1Å; E248-D250 PolarHBondContact O-N 3.24Å | ||
| 251 | N | 53.8 | Low | 54 | Low | 142 Ų | 142 | 134.4 Ų | 134.4 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | trans | -111.4 | 27.5 | 173 | -71.2 | -52.4 | 0 | 0 | 0 | 112.9 | ||||
| 252 | F | 53.5 | Low | 54.3 | Low | 155 Ų | 155 | 131.4 Ų | 131.4 | 68% | 0.68 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -69.3 | 122 | 160.1 | -94.4 | -96.4 | 0 | 0 | 0 | 107.7 | Y249 | Y249-F252 HydrophobicContact CD1-CD2 4.43Å; Y249-F252 AromaticContact CD1-CE2 3.94Å; Y249-F252 HydrophobicContact CD1-CE2 3.94Å; Y249-F252 HydrophobicContact CE1-CE2 4.1Å |
| 253 | P | 53.7 | Low | 55.3 | Low | 105 Ų | 105 | 137.6 Ų | 137.6 | 68% | 0.682 | 72% | 0.715 | S | S | * | * | trans | -55.2 | 132.6 | 169.6 | 24.8 | -31.4 | 0 | 0 | 0 | 106.5 | N255 | P253-N255 PolarHBondContact O-N 3.39Š| ||
| 254 | P | 50.5 | Low | 56.1 | Low | 119 Ų | 119 | 136.9 Ų | 136.9 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | trans | -54.2 | 115.6 | -177.5 | 21.8 | -31.4 | 0 | 0 | 0 | 106.2 | K256 | P254-K256 PolarHBondContact O-N 2.83Š| ||
| 255 | N | 48.2 | Very low | 57.2 | Low | 146 Ų | 146 | 134.2 Ų | 134.2 | 78% | 0.781 | 70% | 0.704 | S | S | * | * | trans | -45.2 | 123.8 | 165.5 | -128.1 | -19.6 | 0 | 0 | 0 | 103.9 | P253 T257 | P253-N255 PolarHBondContact O-N 3.39Å; N255-T257 PolarHBondContact O-N 3.27Å | ||
| 256 | K | 58.4 | Low | 58.1 | Low | 209 Ų | 209 | 133.5 Ų | 133.5 | 91% | 0.909 | 70% | 0.7 | S | S | * | * | trans | -69.3 | 64.6 | 166.2 | -64.1 | -178.7 | -177.1 | -176 | 0 | 106.4 | P254 I258 | P254-K256 PolarHBondContact O-N 2.83Å; K256-I258 PolarHBondContact O-N 3.06Å; K256-I258 VanDerWaalsContact O-N 3.08Å | ||
| 257 | T | 56.3 | Low | 58.9 | Low | 115 Ų | 115 | 131.1 Ų | 131.1 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | trans | -53.4 | 113.6 | 154.9 | -51 | 0 | 0 | 0 | 0 | 103.1 | N255 G259 | N255-T257 PolarHBondContact O-N 3.27Å; T257-G259 VanDerWaalsContact C-N 3.3Å; T257-G259 PolarHBondContact O-N 2.76Å | ||
| 258 | I | 58.6 | Low | 59.7 | Low | 135 Ų | 135 | 132.2 Ų | 132.2 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | trans | -42 | 102.5 | 164.9 | -102.9 | 151.2 | 0 | 0 | 0 | 106.7 | K256 M262 | K256-I258 PolarHBondContact O-N 3.06Å; K256-I258 VanDerWaalsContact O-N 3.08Å; I258-M262 HydrophobicContact CD1-CE 4.19Å; I258-M262 HydrophobicContact CG1-CE 3.41Å; I258-M262 VanDerWaalsContact CG1-CE 3.41Å | ||
| 259 | G | 61.6 | Low | 60.1 | Low | 19 Ų | 19 | 132.9 Ų | 132.9 | 20% | 0.196 | 71% | 0.71 | C | S | . | * | trans | -75.2 | 150.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | T257 E261 M262 | T257-G259 VanDerWaalsContact C-N 3.3Å; T257-G259 PolarHBondContact O-N 2.76Å; G259-E261 WeakPolarHBondContact CA-OE1 3.39Å; G259-E261 PolarHBondContact O-N 3.47Å; G259-M262 PolarHBondContact O-N 3.34Å | ||
| 260 | P | 61.6 | Low | 60.4 | Low | 135 Ų | 135 | 129.8 Ų | 129.8 | 88% | 0.877 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -3.9 | 178.9 | 25.7 | -30.9 | 0 | 0 | 0 | 113.5 | ||
| 261 | E | 64.3 | Low | 60.3 | Low | 136 Ų | 136 | 129.1 Ų | 129.1 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 3.8 | 178.7 | 51.6 | -79 | 150.8 | 0 | 0 | 115.2 | G259 K263 | G259-E261 WeakPolarHBondContact CA-OE1 3.39Å; G259-E261 PolarHBondContact O-N 3.47Å; E261-K263 VanDerWaalsContact C-N 3.27Å; E261-K263 PolarHBondContact O-N 2.98Å |
| 262 | M | 58.6 | Low | 60.5 | Low | 127 Ų | 127 | 130.1 Ų | 130.1 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | trans | -70.5 | 90.2 | 171.5 | -160.1 | 144.6 | 67.8 | 0 | 0 | 109.2 | I258 G259 V264 | I258-M262 HydrophobicContact CD1-CE 4.19Å; I258-M262 HydrophobicContact CG1-CE 3.41Å; I258-M262 VanDerWaalsContact CG1-CE 3.41Å; G259-M262 PolarHBondContact O-N 3.34Å; M262-V264 PolarHBondContact O-N 3.08Å | ||
| 263 | K | 63.3 | Low | 60.5 | Low | 184 Ų | 184 | 130.8 Ų | 130.8 | 80% | 0.8 | 72% | 0.719 | S | S | * | * | trans | -64.8 | 84.4 | 176.4 | -63.1 | 172.5 | -169.2 | -80.1 | 0 | 108.5 | E261 V265 | E261-K263 VanDerWaalsContact C-N 3.27Å; E261-K263 PolarHBondContact O-N 2.98Å; K263-V265 HydrophobicContact CB-CG2 4.45Å; K263-V265 PolarHBondContact O-N 3.43Å | ||
| 264 | V | 67.4 | Low | 60.2 | Low | 113 Ų | 113 | 131.1 Ų | 131.1 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | trans | -68 | 91.4 | 162.4 | -173.5 | 0 | 0 | 0 | 0 | 105.5 | M262 I266 | M262-V264 PolarHBondContact O-N 3.08Å; V264-I266 VanDerWaalsContact C-N 3.27Å; V264-I266 HydrophobicContact CG1-CG1 4.02Å; V264-I266 PolarHBondContact O-N 3.04Å | ||
| 265 | V | 70.2 | Confident | 60 | Low | 121 Ų | 121 | 133.7 Ų | 133.7 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | trans | -71 | 92.2 | 172.1 | -179.1 | 0 | 0 | 0 | 0 | 106 | K263 P267 | K263-V265 HydrophobicContact CB-CG2 4.45Å; K263-V265 PolarHBondContact O-N 3.43Å; V265-P267 VanDerWaalsContact O-CD 3.24Å; V265-P267 WeakPolarHBondContact O-CD 3.39Å | ||
| 266 | I | 69.8 | Low | 59.7 | Low | 135 Ų | 135 | 132.4 Ų | 132.4 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | trans | -72 | 113.8 | 168.2 | -57.1 | 175.1 | 0 | 0 | 0 | 105.4 | V264 | V264-I266 VanDerWaalsContact C-N 3.27Å; V264-I266 HydrophobicContact CG1-CG1 4.02Å; V264-I266 PolarHBondContact O-N 3.04Å | ||
| 267 | P | 67.7 | Low | 59 | Low | 97 Ų | 97 | 133.5 Ų | 133.5 | 63% | 0.63 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 136.6 | 175.8 | 21.3 | -29.6 | 0 | 0 | 0 | 109.3 | V265 L269 | V265-P267 VanDerWaalsContact O-CD 3.24Å; V265-P267 WeakPolarHBondContact O-CD 3.39Å; P267-L269 PolarHBondContact O-N 2.67Å |
| 268 | P | 70.5 | Confident | 58.3 | Low | 123 Ų | 123 | 133.1 Ų | 133.1 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 130.9 | -178 | 24.4 | -32.6 | 0 | 0 | 0 | 109.5 | ||
| 269 | L | 61.1 | Low | 57.2 | Low | 152 Ų | 152 | 131.9 Ų | 131.9 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 134.1 | 170.3 | -67.7 | 169.7 | 0 | 0 | 0 | 108 | P267 T271 | P267-L269 PolarHBondContact O-N 2.67Å; L269-T271 PolarHBondContact O-N 3.49Å |
| 270 | P | 60.5 | Low | 56.4 | Low | 121 Ų | 121 | 136.9 Ų | 136.9 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | -59.9 | 113.9 | 179.1 | 23.3 | -31.7 | 0 | 0 | 0 | 109.3 | Q272 | P270-Q272 PolarHBondContact O-N 3.47Š| ||
| 271 | T | 57.5 | Low | 55.3 | Low | 122 Ų | 122 | 138.2 Ų | 138.2 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -63.7 | 118.9 | 171.3 | 39.7 | 0 | 0 | 0 | 0 | 108.4 | L269 E273 | L269-T271 PolarHBondContact O-N 3.49Å; T271-E273 VanDerWaalsContact C-N 3.29Å; T271-E273 PolarHBondContact O-N 3.37Å | ||
| 272 | Q | 57.2 | Low | 54 | Low | 163 Ų | 163 | 137.8 Ų | 137.8 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -68.3 | 87.5 | 172.3 | -72.1 | -151.8 | -3.7 | 0 | 0 | 110.1 | P270 | P270-Q272 PolarHBondContact O-N 3.47Š|
| 273 | E | 53.3 | Low | 53.3 | Low | 169 Ų | 169 | 141.1 Ų | 141.1 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | -118.7 | 3 | 161 | -71.5 | -158.2 | 153.8 | 0 | 0 | 112.8 | T271 | T271-E273 VanDerWaalsContact C-N 3.29Å; T271-E273 PolarHBondContact O-N 3.37Å | ||
| 274 | S | 48.6 | Very low | 52.1 | Low | 112 Ų | 112 | 142 Ų | 142 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -104.8 | 20.6 | -177.8 | -41.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 275 | F | 45.3 | Very low | 50.8 | Low | 173 Ų | 173 | 139.8 Ų | 139.8 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | -117.3 | 47.4 | 166.2 | -69.3 | -71.1 | 0 | 0 | 0 | 111.1 | R277 | F275-R277 PolarHBondContact O-N 3.38Š| ||
| 276 | S | 42.5 | Very low | 49.5 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | -73.3 | 76.3 | 156.6 | -65.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 277 | R | 43.9 | Very low | 48 | Very low | 232 Ų | 232 | 145.3 Ų | 145.3 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | trans | -101.3 | 100.7 | 164.6 | -158 | 173.6 | -179.4 | -176.1 | -0.4 | 107.6 | F275 | F275-R277 PolarHBondContact O-N 3.38Š| ||
| 278 | S | 40.4 | Very low | 46.5 | Very low | 107 Ų | 107 | 151.8 Ų | 151.8 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -4.9 | 125.1 | 168.4 | 23.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 279 | S | 35.4 | Very low | 44.8 | Very low | 109 Ų | 109 | 156.3 Ų | 156.3 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 138 | 160.7 | 178.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 280 | P | 45.4 | Very low | 43.8 | Very low | 124 Ų | 124 | 155 Ų | 155 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 128 | 147.6 | 5 | 15.4 | 0 | 0 | 0 | 110.3 | ||
| 281 | Q | 39.2 | Very low | 42.7 | Very low | 163 Ų | 163 | 157.6 Ų | 157.6 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 153.9 | 178.3 | -103.6 | 172.9 | -10.7 | 0 | 0 | 115 | ||
| 282 | D | 36.9 | Very low | 42 | Very low | 126 Ų | 126 | 157.3 Ų | 157.3 | 67% | 0.674 | 81% | 0.807 | S | S | * | * | trans | 72.8 | 106.1 | 147.4 | -56.3 | -17.1 | 0 | 0 | 0 | 118.7 | ||||
| 283 | K | 43.5 | Very low | 40.9 | Very low | 197 Ų | 197 | 159.4 Ų | 159.4 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | 174.6 | 145 | 85.7 | -78.4 | -155.4 | -179.5 | -173.3 | 0 | 111.3 | |||||
| 284 | E | 38.6 | Very low | 40.3 | Very low | 202 Ų | 202 | 155.9 Ų | 155.9 | 94% | 0.944 | 81% | 0.814 | S | S | * | * | trans | -46.1 | 137.9 | 173.1 | -70.8 | 159.9 | 121.7 | 0 | 0 | 113.4 | ||||
| 285 | G | 38.9 | Very low | 39.8 | Very low | 68 Ų | 68 | 157 Ų | 157 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | -176.9 | 89.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M287 | G285-M287 PolarHBondContact O-N 2.8Š| ||
| 286 | Q | 43 | Very low | 39.6 | Very low | 193 Ų | 193 | 156.2 Ų | 156.2 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -49.9 | 112.2 | 174.2 | -162.7 | 161.2 | 26.3 | 0 | 0 | 111.9 | R288 | Q286-R288 PolarHBondContact O-N 3.47Š| ||
| 287 | M | 38.8 | Very low | 39.1 | Very low | 178 Ų | 178 | 160.9 Ų | 160.9 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -72.1 | 97.8 | 174.6 | -94.3 | -144.6 | -156.6 | 0 | 0 | 110.7 | G285 | G285-M287 PolarHBondContact O-N 2.8Š| ||
| 288 | R | 36.9 | Very low | 38.8 | Very low | 233 Ų | 233 | 158.6 Ų | 158.6 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 124.8 | 155.8 | -95.6 | -169.3 | 175.4 | 179.7 | 0.5 | 108.9 | Q286 P290 | Q286-R288 PolarHBondContact O-N 3.47Å; R288-P290 WeakPolarHBondContact O-CD 3.19Å |
| 289 | Y | 34.3 | Very low | 39 | Very low | 219 Ų | 219 | 159.9 Ų | 159.9 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 128.3 | 169.8 | -70.1 | -86.8 | 0 | 0 | 0 | 111.2 | ||
| 290 | P | 40.1 | Very low | 39.2 | Very low | 123 Ų | 123 | 163.9 Ų | 163.9 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 128.2 | 169.2 | 2.6 | 17.3 | 0 | 0 | 0 | 111.4 | R288 | R288-P290 WeakPolarHBondContact O-CD 3.19Š|
| 291 | Q | 37.6 | Very low | 38.9 | Very low | 177 Ų | 177 | 168 Ų | 168 | 83% | 0.827 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 144.2 | 163 | -95.5 | -93.2 | -25.7 | 0 | 0 | 111 | ||
| 292 | P | 41.3 | Very low | 39 | Very low | 115 Ų | 115 | 165.6 Ų | 165.6 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 129.4 | -178.9 | 31.9 | -30.8 | 0 | 0 | 0 | 111.6 | ||
| 293 | K | 34.9 | Very low | 39.5 | Very low | 208 Ų | 208 | 165.4 Ų | 165.4 | 90% | 0.904 | 83% | 0.825 | S | S | * | * | trans | -117.5 | 134.3 | 159.1 | -76.3 | -173.5 | 177.7 | -179.6 | 0 | 109 | ||||
| 294 | A | 41.2 | Very low | 39.1 | Very low | 95 Ų | 95 | 162.8 Ų | 162.8 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | trans | -64.3 | 148.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 295 | T | 37.5 | Very low | 38.9 | Very low | 135 Ų | 135 | 162.8 Ų | 162.8 | 83% | 0.828 | 82% | 0.823 | S | S | * | * | -178.7 | 141.7 | 127.5 | -68.2 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 296 | E | 40.6 | Very low | 39 | Very low | 157 Ų | 157 | 165.3 Ų | 165.3 | 73% | 0.734 | 83% | 0.83 | S | S | * | * | trans | -33.6 | 143.8 | 174.1 | -54.2 | 177.2 | 145 | 0 | 0 | 117.9 | ||||
| 297 | R | 32.8 | Very low | 38.7 | Very low | 217 Ų | 217 | 159.8 Ų | 159.8 | 82% | 0.819 | 83% | 0.825 | S | S | * | * | 160.7 | 126.7 | 107.9 | -88.3 | -170.7 | -175.2 | -172.9 | 1.3 | 113.2 | |||||
| 298 | F | 36.4 | Very low | 38.6 | Very low | 184 Ų | 184 | 160.6 Ų | 160.6 | 81% | 0.807 | 83% | 0.827 | S | S | * | * | trans | 57.8 | 106.6 | 138.1 | -98.8 | -103.7 | 0 | 0 | 0 | 122.1 | ||||
| 299 | N | 45.4 | Very low | 39.1 | Very low | 134 Ų | 134 | 155.4 Ų | 155.4 | 72% | 0.717 | 82% | 0.821 | S | S | * | * | trans | 22.4 | 109.7 | 136 | -62.9 | -41 | 0 | 0 | 0 | 119.8 | ||||
| 300 | Q | 40.1 | Very low | 39.4 | Very low | 194 Ų | 194 | 153.8 Ų | 153.8 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | trans | -164.8 | 112.5 | 143.4 | -111.5 | 158.9 | 20.9 | 0 | 0 | 110.8 | ||||
| 301 | F | 38.7 | Very low | 39.9 | Very low | 209 Ų | 209 | 155.7 Ų | 155.7 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | trans | -104.1 | 139.4 | 164.9 | -83.6 | -81.9 | 0 | 0 | 0 | 109 | ||||
| 302 | P | 41.8 | Very low | 40.1 | Very low | 114 Ų | 114 | 154.9 Ų | 154.9 | 74% | 0.74 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 152.5 | 169.5 | 32.4 | -29.6 | 0 | 0 | 0 | 112.3 | ||
| 303 | P | 46.6 | Very low | 40.3 | Very low | 121 Ų | 121 | 155.2 Ų | 155.2 | 79% | 0.786 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 155.6 | -169.2 | 34.9 | -34 | 0 | 0 | 0 | 114.1 | ||
| 304 | V | 36 | Very low | 41.1 | Very low | 142 Ų | 142 | 153.1 Ų | 153.1 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -82 | 133.7 | -177.7 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 305 | F | 33.5 | Very low | 41.9 | Very low | 202 Ų | 202 | 154.3 Ų | 154.3 | 89% | 0.886 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 128.7 | 164.8 | -89.4 | -86.7 | 0 | 0 | 0 | 110.3 | ||
| 306 | S | 42.4 | Very low | 42.7 | Very low | 121 Ų | 121 | 154.7 Ų | 154.7 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 130.5 | 169.4 | 44.8 | 0 | 0 | 0 | 0 | 110.6 | ||
| 307 | G | 35.8 | Very low | 43.4 | Very low | 78 Ų | 78 | 148.8 Ų | 148.8 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -142.7 | 144.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 308 | E | 36.5 | Very low | 44.6 | Very low | 195 Ų | 195 | 145.5 Ų | 145.5 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -60.8 | 168 | -160.8 | -91.4 | 161.2 | 102.5 | 0 | 0 | 120.5 | ||||
| 309 | T | 46.9 | Very low | 46.2 | Very low | 123 Ų | 123 | 145 Ų | 145 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -47.3 | 144.6 | 177.2 | 49.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 310 | Q | 41.8 | Very low | 46.9 | Very low | 186 Ų | 186 | 143.6 Ų | 143.6 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | -144.1 | 115.8 | 150.6 | -156.6 | 103.9 | 38.1 | 0 | 0 | 110.3 | ||||
| 311 | D | 50.4 | Low | 47.8 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | trans | -55.6 | 131.7 | 170.8 | -111.9 | -39.3 | 0 | 0 | 0 | 111.4 | ||||
| 312 | I | 41.3 | Very low | 48.8 | Very low | 160 Ų | 160 | 133.8 Ų | 133.8 | 82% | 0.821 | 75% | 0.753 | S | S | * | * | trans | -131.6 | 106.8 | 163.3 | 5.6 | 172.8 | 0 | 0 | 0 | 107.2 | D314 | I312-D314 PolarHBondContact O-N 2.95Š| ||
| 313 | S | 45.8 | Very low | 49.9 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | -60.1 | 117.5 | 176.6 | -166.2 | 0 | 0 | 0 | 0 | 110.2 | S315 | S313-S315 PolarHBondContact O-N 3.2Š| ||
| 314 | D | 52.3 | Low | 50.6 | Low | 165 Ų | 165 | 133.2 Ų | 133.2 | 88% | 0.882 | 74% | 0.743 | S | S | * | * | trans | -72.5 | 117 | 173.1 | -115.9 | -32.5 | 0 | 0 | 0 | 109 | I312 D316 | I312-D314 PolarHBondContact O-N 2.95Å; D314-D316 PolarHBondContact O-N 2.79Å | ||
| 315 | S | 58.2 | Low | 51.9 | Low | 119 Ų | 119 | 131.3 Ų | 131.3 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | trans | -85.6 | 105.5 | 176.8 | -168 | 0 | 0 | 0 | 0 | 108.3 | S313 S317 | S313-S315 PolarHBondContact O-N 3.2Å; S315-S317 PolarHBondContact O-N 2.91Å | ||
| 316 | D | 53.8 | Low | 53.1 | Low | 144 Ų | 144 | 125 Ų | 125 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | trans | -76.3 | 115.4 | -175.5 | -133.1 | -18.6 | 0 | 0 | 0 | 111.6 | D314 | D314-D316 PolarHBondContact O-N 2.79Š| ||
| 317 | S | 55.7 | Low | 53.7 | Low | 32 Ų | 32 | 128.1 Ų | 128.1 | 22% | 0.224 | 72% | 0.723 | C | S | . | * | trans | 68 | 81.2 | 131.1 | -58.8 | 0 | 0 | 0 | 0 | 121.2 | S315 W319 E320 | S315-S317 PolarHBondContact O-N 2.91Å; S317-W319 VanDerWaalsContact C-N 3.34Å; S317-W319 PolarHBondContact OG-NE1 2.79Å; S317-E320 WeakPolarHBondContact CB-OE2 3.24Å; S317-E320 PolarHBondContact OG-OE2 3.3Å | ||
| 318 | D | 58 | Low | 54.5 | Low | 148 Ų | 148 | 132.8 Ų | 132.8 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -80.5 | -9 | 156.8 | -76.7 | -36.3 | 0 | 0 | 0 | 113.7 | S321 | D318-S321 PolarHBondContact O-OG 3.28Å; D318-S321 VanDerWaalsContact O-OG 3.06Å |
| 319 | W | 69.9 | Low | 55.5 | Low | 175 Ų | 175 | 126.9 Ų | 126.9 | 66% | 0.663 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -90.3 | -22.2 | -176.7 | 64.9 | -83.2 | 0 | 0 | 0 | 113.3 | S317 | S317-W319 VanDerWaalsContact C-N 3.34Å; S317-W319 PolarHBondContact OG-NE1 2.79Å |
| 320 | E | 59.8 | Low | 55.7 | Low | 104 Ų | 104 | 130.6 Ų | 130.6 | 49% | 0.486 | 72% | 0.721 | S | S | . | * | H | α-helix | trans | -76.3 | -30.3 | 175.9 | -94.2 | 170.1 | 106.7 | 0 | 0 | 112.6 | S317 M324 | S317-E320 WeakPolarHBondContact CB-OE2 3.24Å; S317-E320 PolarHBondContact OG-OE2 3.3Å; E320-M324 WeakPolarHBondContact O-CG 3.44Å |
| 321 | S | 59.2 | Low | 56 | Low | 64 Ų | 64 | 134.2 Ų | 134.2 | 45% | 0.448 | 74% | 0.741 | S | S | . | * | H | α-helix | trans | -72.2 | -36.8 | 179.1 | 44.2 | 0 | 0 | 0 | 0 | 112.4 | D318 M324 T325 | D318-S321 PolarHBondContact O-OG 3.28Å; D318-S321 VanDerWaalsContact O-OG 3.06Å; S321-M324 PolarHBondContact O-N 3Å; S321-T325 PolarHBondContact O-N 2.96Å; S321-T325 PolarHBondContact O-OG1 2.94Å |
| 322 | D | 59.6 | Low | 56.3 | Low | 133 Ų | 133 | 132.8 Ų | 132.8 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -72.7 | -31.4 | -179.1 | -152.2 | 36.1 | 0 | 0 | 0 | 112.3 | M324 | D322-M324 VanDerWaalsContact C-N 3.34Å; D322-M324 PolarHBondContact O-N 2.89Å |
| 323 | A | 64.1 | Low | 57.1 | Low | 72 Ų | 72 | 131.3 Ų | 131.3 | 60% | 0.595 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -69.1 | -30.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 324 | M | 61.9 | Low | 57.7 | Low | 150 Ų | 150 | 131.9 Ų | 131.9 | 74% | 0.739 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -84.7 | -20.5 | -177.8 | -70 | -89.2 | -108 | 0 | 0 | 112.9 | E320 S321 D322 G326 | E320-M324 WeakPolarHBondContact O-CG 3.44Å; S321-M324 PolarHBondContact O-N 3Å; D322-M324 VanDerWaalsContact C-N 3.34Å; D322-M324 PolarHBondContact O-N 2.89Å; M324-G326 VanDerWaalsContact C-N 3.35Å |
| 325 | T | 62.5 | Low | 58 | Low | 102 Ų | 102 | 129.9 Ų | 129.9 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -78.8 | -19.3 | -176.5 | -44.3 | 0 | 0 | 0 | 0 | 112.6 | S321 F327 | S321-T325 PolarHBondContact O-N 2.96Å; S321-T325 PolarHBondContact O-OG1 2.94Å; T325-F327 VanDerWaalsContact C-N 3.33Å; T325-F327 PolarHBondContact O-N 3.02Å |
| 326 | G | 58.3 | Low | 58 | Low | 69 Ų | 69 | 130.6 Ų | 130.6 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | M324 | M324-G326 VanDerWaalsContact C-N 3.35Š|
| 327 | F | 56.8 | Low | 58.3 | Low | 187 Ų | 187 | 129.7 Ų | 129.7 | 82% | 0.82 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -7.1 | -176.6 | -93.6 | -87 | 0 | 0 | 0 | 114.9 | T325 G329 | T325-F327 VanDerWaalsContact C-N 3.33Å; T325-F327 PolarHBondContact O-N 3.02Å; F327-G329 VanDerWaalsContact C-N 3.3Å; F327-G329 PolarHBondContact O-N 3.2Å |
| 328 | H | 52.5 | Low | 58.5 | Low | 177 Ų | 177 | 136.7 Ų | 136.7 | 82% | 0.819 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 5.8 | -177.6 | -98.5 | -80.4 | 0 | 0 | 0 | 115.2 | ||
| 329 | G | 55.6 | Low | 58.5 | Low | 71 Ų | 71 | 135.8 Ų | 135.8 | 73% | 0.732 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 14.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | F327 | F327-G329 VanDerWaalsContact C-N 3.3Å; F327-G329 PolarHBondContact O-N 3.2Å |
| 330 | F | 52.8 | Low | 57.6 | Low | 200 Ų | 200 | 132.6 Ų | 132.6 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | trans | -127 | 63.1 | -179.4 | -133.7 | -88.5 | 0 | 0 | 0 | 111.8 | ||||
| 331 | M | 48 | Very low | 57.4 | Low | 262 Ų | 262 | 135.2 Ų | 135.2 | 100% | 1.291 | 76% | 0.761 | S | S | * | * | trans | -142.2 | 0 | 153.9 | -79.3 | -159.9 | 179.3 | 0 | 0 | 109.1 |
Retrieved 331 of 331 residues in 1047.2 ms
(Link to these results)