| 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 | 40.4 | Very low | 41 | Very low | 247 Ų | 247 | 148.1 Ų | 148.1 | 100% | 1.217 | 88% | 0.875 | S | S | * | * | 0 | 134.7 | 0 | -51.7 | 172.1 | -169.3 | 0 | 0 | 106.4 | |||||
| 2 | S | 39.9 | Very low | 40.6 | Very low | 108 Ų | 108 | 144 Ų | 144 | 76% | 0.755 | 87% | 0.87 | S | S | * | * | cis | -151.3 | 118 | -8.4 | 40.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 3 | A | 43.1 | Very low | 40.5 | Very low | 89 Ų | 89 | 142.5 Ų | 142.5 | 74% | 0.736 | 87% | 0.87 | S | S | * | * | 56.5 | 101 | 99.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 4 | F | 46.8 | Very low | 40.4 | Very low | 213 Ų | 213 | 138.9 Ų | 138.9 | 93% | 0.934 | 86% | 0.863 | S | S | * | * | trans | -139.4 | 103.5 | 147.1 | -125.1 | -81 | 0 | 0 | 0 | 109.1 | ||||
| 5 | C | 46.3 | Very low | 40.8 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 76% | 0.764 | 86% | 0.859 | S | S | * | * | trans | -110.7 | 160.3 | 169 | -64.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 6 | L | 47.1 | Very low | 41 | Very low | 177 Ų | 177 | 135.3 Ų | 135.3 | 93% | 0.927 | 86% | 0.855 | S | S | * | * | trans | 127 | 124.2 | 171.4 | -74.4 | 163.9 | 0 | 0 | 0 | 109.9 | ||||
| 7 | G | 35.7 | Very low | 41.1 | Very low | 66 Ų | 66 | 138.5 Ų | 138.5 | 68% | 0.68 | 86% | 0.857 | S | S | * | * | cis | 168.4 | 150.8 | -11.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 8 | L | 41.1 | Very low | 41.7 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 91% | 0.911 | 85% | 0.854 | S | S | * | * | trans | 47.3 | 111 | 150.1 | -61.4 | 166.9 | 0 | 0 | 0 | 119.4 | ||||
| 9 | A | 35.4 | Very low | 41.3 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 90% | 0.901 | 86% | 0.855 | S | S | * | * | 163.4 | 140.4 | 99 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 10 | G | 33.8 | Very low | 41.3 | Very low | 83 Ų | 83 | 138 Ų | 138 | 86% | 0.856 | 85% | 0.853 | S | S | * | * | trans | 159.2 | 110.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 11 | R | 41.3 | Very low | 40.9 | Very low | 250 Ų | 250 | 136.4 Ų | 136.4 | 94% | 0.943 | 85% | 0.854 | S | S | * | * | trans | -133.8 | 99.8 | -166.3 | -177.4 | -173.8 | -180 | -172.9 | 0.8 | 112.4 | ||||
| 12 | A | 36.1 | Very low | 40.6 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -148.3 | 126.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 13 | S | 39.3 | Very low | 40.3 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 87% | 0.867 | 84% | 0.839 | S | S | * | * | cis | 76 | 75.6 | 30.6 | -163.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 14 | A | 39.3 | Very low | 39.9 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 77% | 0.769 | 85% | 0.848 | S | S | * | * | trans | -128.7 | 138.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 15 | P | 46.6 | Very low | 39.3 | Very low | 124 Ų | 124 | 134 Ų | 134 | 81% | 0.805 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 168.1 | -178.3 | 35.5 | -35.6 | 0 | 0 | 0 | 112.6 | ||
| 16 | A | 44.2 | Very low | 38.7 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 79% | 0.793 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 148.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 17 | E | 43 | Very low | 38.6 | Very low | 190 Ų | 190 | 132.8 Ų | 132.8 | 89% | 0.888 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 138.9 | 174.9 | -62 | -173.5 | 138.5 | 0 | 0 | 111.4 | ||
| 18 | P | 51.3 | Low | 38.6 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 81% | 0.812 | 85% | 0.845 | S | S | * | * | trans | -103.8 | 97.1 | 173.1 | 35.4 | -27.2 | 0 | 0 | 0 | 111.3 | S20 | P18-S20 PolarHBondContact O-N 2.92Š| ||
| 19 | D | 33.6 | Very low | 38.1 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 87% | 0.872 | 84% | 0.839 | S | S | * | * | trans | -72.5 | 127.3 | 178.2 | -120.7 | -23 | 0 | 0 | 0 | 112 | A21 | D19-A21 PolarHBondContact O-N 3.24Å; D19-A21 VanDerWaalsContact O-N 3.07Å | ||
| 20 | S | 41.8 | Very low | 38 | Very low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 84% | 0.839 | S | S | * | * | trans | -88.2 | 73.7 | -165.5 | -166 | 0 | 0 | 0 | 0 | 113 | P18 C22 | P18-S20 PolarHBondContact O-N 2.92Å; S20-C22 PolarHBondContact O-N 3.19Å; S20-C22 VanDerWaalsContact O-N 3.16Å | ||
| 21 | A | 32.3 | Very low | 37.9 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 87% | 0.868 | 84% | 0.84 | S | S | * | * | trans | -79.8 | 90.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D19 | D19-A21 PolarHBondContact O-N 3.24Å; D19-A21 VanDerWaalsContact O-N 3.07Å | ||
| 22 | C | 34 | Very low | 37.5 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 78% | 0.777 | 84% | 0.838 | S | S | * | * | trans | -150.9 | 96.4 | 167.9 | -170.5 | 0 | 0 | 0 | 0 | 112.8 | S20 | S20-C22 PolarHBondContact O-N 3.19Å; S20-C22 VanDerWaalsContact O-N 3.16Å | ||
| 23 | C | 33.3 | Very low | 37.4 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 89% | 0.892 | 84% | 0.836 | S | S | * | * | trans | -164.1 | 128.8 | 152.6 | -124.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 24 | M | 36.1 | Very low | 37.2 | Very low | 187 Ų | 187 | 134.7 Ų | 134.7 | 92% | 0.921 | 83% | 0.834 | S | S | * | * | trans | -39.7 | 130.7 | -177.5 | -56.3 | -69.8 | -171.1 | 0 | 0 | 117 | ||||
| 25 | E | 34.1 | Very low | 36.8 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 81% | 0.813 | 84% | 0.84 | S | S | * | * | trans | -77.3 | 145.8 | 139.6 | -54 | -172.7 | 140.8 | 0 | 0 | 107.3 | ||||
| 26 | L | 34.4 | Very low | 36.4 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 79% | 0.785 | 84% | 0.838 | S | S | * | * | -168.5 | 179.1 | 51.1 | -80.3 | 170.3 | 0 | 0 | 0 | 108.1 | |||||
| 27 | P | 43.5 | Very low | 36.1 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 73% | 0.734 | 84% | 0.842 | S | S | * | * | cis | -123.3 | 174 | -28.6 | 35 | -20 | 0 | 0 | 0 | 112 | ||||
| 28 | A | 35.4 | Very low | 35.8 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 90% | 0.901 | 84% | 0.835 | S | S | * | * | trans | -72.5 | 134.2 | 169 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 29 | A | 30.8 | Very low | 35.3 | Very low | 96 Ų | 96 | 135 Ų | 135 | 79% | 0.793 | 84% | 0.839 | S | S | * | * | trans | -116.3 | 135.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 30 | A | 34.6 | Very low | 35.2 | Very low | 108 Ų | 108 | 132 Ų | 132 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | trans | -67 | 141.6 | -171 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 31 | R | 31.3 | Very low | 34.7 | Very low | 234 Ų | 234 | 131.9 Ų | 131.9 | 88% | 0.883 | 84% | 0.843 | S | S | * | * | trans | -130.2 | 112.1 | 160.3 | -76.6 | -173.1 | 171 | -168.6 | -3.1 | 108.6 | ||||
| 32 | D | 33.3 | Very low | 34.7 | Very low | 167 Ų | 167 | 131.2 Ų | 131.2 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | trans | 179.5 | 89.3 | 130.7 | -92 | -10.3 | 0 | 0 | 0 | 109.7 | ||||
| 33 | A | 32.7 | Very low | 35 | Very low | 95 Ų | 95 | 133.5 Ų | 133.5 | 79% | 0.785 | 84% | 0.841 | S | S | * | * | trans | -156.4 | 111.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 34 | V | 34.8 | Very low | 35.2 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 83% | 0.83 | 84% | 0.838 | S | S | * | * | trans | 36.2 | 107 | 145.2 | -171.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 35 | Q | 31 | Very low | 35 | Very low | 189 Ų | 189 | 130.6 Ų | 130.6 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -163.3 | 137.6 | 130.7 | -111.6 | 160.1 | 38.1 | 0 | 0 | 113.2 | ||||
| 36 | S | 38.3 | Very low | 34.9 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 78% | 0.776 | 83% | 0.83 | S | S | * | * | trans | -83.6 | 148.5 | 168.8 | -45.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 37 | P | 38.2 | Very low | 35.1 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 88% | 0.877 | 83% | 0.831 | S | S | * | * | trans | -106.7 | 94.4 | 157.2 | 33.8 | -24.6 | 0 | 0 | 0 | 110.5 | ||||
| 38 | A | 36.7 | Very low | 34.4 | Very low | 90 Ų | 90 | 129 Ų | 129 | 74% | 0.744 | 84% | 0.835 | S | S | * | * | trans | -97.5 | 156.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 39 | A | 40.5 | Very low | 34 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | trans | 65.3 | 85.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 40 | A | 31.6 | Very low | 34.5 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 84% | 0.843 | 84% | 0.836 | S | S | * | * | trans | -143.6 | 36.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A42 | A40-A42 VanDerWaalsContact C-N 3.35Å; A40-A42 PolarHBondContact O-N 3.2Å | ||
| 41 | A | 31.8 | Very low | 34.8 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 93% | 0.926 | 83% | 0.829 | S | S | * | * | trans | -79.5 | 79.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 42 | A | 32.2 | Very low | 35.1 | Very low | 91 Ų | 91 | 126 Ų | 126 | 75% | 0.752 | 83% | 0.832 | S | S | * | * | trans | -85.9 | 128.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A40 I44 | A40-A42 VanDerWaalsContact C-N 3.35Å; A40-A42 PolarHBondContact O-N 3.2Å; A42-I44 PolarHBondContact O-N 2.76Å | ||
| 43 | L | 41.5 | Very low | 35.3 | Very low | 163 Ų | 163 | 126 Ų | 126 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | trans | -52 | 119 | -178.8 | -70 | 149.5 | 0 | 0 | 0 | 113.5 | ||||
| 44 | I | 36 | Very low | 35.5 | Very low | 161 Ų | 161 | 130.5 Ų | 130.5 | 83% | 0.826 | 84% | 0.836 | S | S | * | * | trans | -130.7 | 103.5 | 152.6 | -59.1 | -178.2 | 0 | 0 | 0 | 107.2 | A42 | A42-I44 PolarHBondContact O-N 2.76Š| ||
| 45 | S | 33.4 | Very low | 36 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 68% | 0.678 | 84% | 0.84 | S | S | * | * | trans | -101.7 | 119.7 | 178.7 | -54.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 46 | F | 31.9 | Very low | 36.4 | Very low | 199 Ų | 199 | 127.5 Ų | 127.5 | 87% | 0.873 | 83% | 0.832 | S | S | * | * | trans | -138.2 | 146.4 | 154.6 | -95.1 | -83.7 | 0 | 0 | 0 | 109.4 | ||||
| 47 | P | 37.6 | Very low | 36.2 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | -103.2 | 153.8 | -162.8 | 38.4 | -33 | 0 | 0 | 0 | 114 | ||||
| 48 | G | 28.2 | Very low | 36.1 | Very low | 79 Ų | 79 | 133.3 Ų | 133.3 | 81% | 0.814 | 84% | 0.84 | S | S | * | * | trans | 170.1 | 110.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 49 | G | 28.6 | Very low | 36.2 | Very low | 79 Ų | 79 | 137.8 Ų | 137.8 | 81% | 0.814 | 85% | 0.846 | S | S | * | * | trans | 78 | 142.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 50 | S | 41.2 | Very low | 36.1 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 91% | 0.909 | 84% | 0.842 | S | S | * | * | cis | -157.9 | 132.9 | -12.2 | 51.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 51 | G | 39.8 | Very low | 36.1 | Very low | 71 Ų | 71 | 144.2 Ų | 144.2 | 73% | 0.732 | 84% | 0.844 | S | S | * | * | S | Bend | trans | 124.6 | 155.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 52 | E | 38.4 | Very low | 36.2 | Very low | 203 Ų | 203 | 143.3 Ų | 143.3 | 95% | 0.949 | 84% | 0.837 | S | S | * | * | S | Bend | trans | 58.4 | 48.3 | 178 | -58.5 | -169.2 | 172.9 | 0 | 0 | 116.3 | ||
| 53 | L | 37.7 | Very low | 36.2 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 89% | 0.885 | 84% | 0.842 | S | S | * | * | trans | -144.3 | 44.3 | 159.3 | -131.8 | 168.4 | 0 | 0 | 0 | 112.6 | ||||
| 54 | E | 36.3 | Very low | 35.6 | Very low | 188 Ų | 188 | 146.6 Ų | 146.6 | 88% | 0.879 | 84% | 0.841 | S | S | * | * | trans | -123.8 | 40.9 | -176.4 | -163.9 | 172.1 | -127.7 | 0 | 0 | 111.1 | ||||
| 55 | L | 45.9 | Very low | 35.6 | Very low | 177 Ų | 177 | 144 Ų | 144 | 93% | 0.927 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -145.9 | 48.9 | 177.3 | -88.3 | -174.3 | 0 | 0 | 0 | 113.2 | ||
| 56 | A | 38.5 | Very low | 35.6 | Very low | 86 Ų | 86 | 144.3 Ų | 144.3 | 71% | 0.711 | 85% | 0.852 | S | S | * | * | S | Bend | trans | -156.3 | 129.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 57 | L | 33.4 | Very low | 35.5 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 90% | 0.895 | 85% | 0.849 | S | S | * | * | trans | 63.8 | 71.6 | 176.2 | -56.4 | 173.8 | 0 | 0 | 0 | 115.9 | ||||
| 58 | E | 37.3 | Very low | 35.2 | Very low | 198 Ų | 198 | 142.1 Ų | 142.1 | 93% | 0.925 | 86% | 0.855 | S | S | * | * | trans | -108.6 | 123.6 | 136.7 | -71.8 | -164.2 | 141.6 | 0 | 0 | 108.5 | ||||
| 59 | E | 38.9 | Very low | 35.3 | Very low | 184 Ų | 184 | 149.5 Ų | 149.5 | 86% | 0.86 | 86% | 0.858 | S | S | * | * | trans | -85.1 | 127.9 | 161.6 | -69.3 | 173.8 | 111.6 | 0 | 0 | 107.9 | ||||
| 60 | E | 38.8 | Very low | 35.9 | Very low | 173 Ų | 173 | 151.5 Ų | 151.5 | 81% | 0.808 | 86% | 0.857 | S | S | * | * | -172.5 | 144.4 | 111.7 | -100.4 | -59.7 | 172.6 | 0 | 0 | 112.1 | |||||
| 61 | L | 31.8 | Very low | 35.4 | Very low | 171 Ų | 171 | 150.7 Ų | 150.7 | 90% | 0.895 | 85% | 0.851 | S | S | * | * | trans | -107.5 | 88.7 | -169.3 | -84.3 | 169.1 | 0 | 0 | 0 | 112.3 | ||||
| 62 | A | 33.4 | Very low | 35.1 | Very low | 93 Ų | 93 | 154.5 Ų | 154.5 | 77% | 0.769 | 85% | 0.854 | S | S | * | * | trans | -111.7 | 79.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 63 | L | 31.2 | Very low | 35.1 | Very low | 164 Ų | 164 | 151 Ų | 151 | 86% | 0.859 | 85% | 0.85 | S | S | * | * | trans | 168.9 | 153.8 | 133.7 | -91.2 | 165.2 | 0 | 0 | 0 | 112.8 | ||||
| 64 | L | 30.5 | Very low | 34.7 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 84% | 0.838 | 84% | 0.842 | S | S | * | * | trans | 67.4 | 106.1 | -178.7 | -48.7 | -177.9 | 0 | 0 | 0 | 113.9 | ||||
| 65 | A | 35.9 | Very low | 34.3 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 88% | 0.884 | 84% | 0.841 | S | S | * | * | cis | 72.9 | 37.3 | 49.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 66 | A | 32.9 | Very low | 33.4 | Very low | 102 Ų | 102 | 147.1 Ų | 147.1 | 84% | 0.843 | 84% | 0.84 | S | S | * | * | trans | -145.5 | 121.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 67 | G | 29.7 | Very low | 33.3 | Very low | 80 Ų | 80 | 147.6 Ų | 147.6 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | -128.7 | 119.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 68 | E | 29.9 | Very low | 33.1 | Very low | 199 Ų | 199 | 148.7 Ų | 148.7 | 93% | 0.93 | 84% | 0.837 | S | S | * | * | trans | -128 | 140.4 | 175.4 | -63.6 | -166.2 | 140.2 | 0 | 0 | 110.7 | ||||
| 69 | R | 31.7 | Very low | 32.5 | Very low | 235 Ų | 235 | 143.1 Ų | 143.1 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | trans | -86.9 | 160.2 | 174.8 | -62.5 | -178.8 | 178.6 | 140.7 | -3.6 | 110 | ||||
| 70 | P | 41.7 | Very low | 31.8 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | -119.2 | 170 | 80.3 | -2.8 | 25.4 | 0 | 0 | 0 | 112.7 | |||||
| 71 | S | 30.4 | Very low | 31.7 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | cis | -146.7 | 159.9 | 37.5 | -58 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 72 | D | 33.2 | Very low | 31.6 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 81% | 0.807 | 82% | 0.821 | S | S | * | * | trans | -69 | 175.3 | 174.7 | -71.1 | -68.3 | 0 | 0 | 0 | 115.1 | ||||
| 73 | P | 38.5 | Very low | 31.6 | Very low | 130 Ų | 130 | 137 Ų | 137 | 84% | 0.844 | 82% | 0.819 | S | S | * | * | cis | -127.3 | 175.8 | 2 | 41.3 | -27.5 | 0 | 0 | 0 | 115 | ||||
| 74 | G | 28.7 | Very low | 31.5 | Very low | 70 Ų | 70 | 137 Ų | 137 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | trans | 148.3 | 87.3 | 155.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 75 | E | 28.6 | Very low | 31.4 | Very low | 186 Ų | 186 | 133.5 Ų | 133.5 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | trans | 30.2 | 101 | 141 | -60 | 179.5 | 180 | 0 | 0 | 120.2 | ||||
| 76 | H | 26.5 | Very low | 31.2 | Very low | 196 Ų | 196 | 137.7 Ų | 137.7 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | trans | -130.2 | 141.6 | 134.3 | -89.1 | -14.1 | 0 | 0 | 0 | 110.7 | ||||
| 77 | P | 36.9 | Very low | 31.1 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 62% | 0.623 | 81% | 0.81 | S | S | * | * | trans | -110.8 | 150.6 | -158.2 | 9.1 | 14.7 | 0 | 0 | 0 | 114.2 | ||||
| 78 | Q | 28.6 | Very low | 31.3 | Very low | 194 Ų | 194 | 137.7 Ų | 137.7 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | trans | 68.6 | 157.2 | 149.1 | -62.6 | 164.2 | -28.3 | 0 | 0 | 116.4 | ||||
| 79 | A | 25.3 | Very low | 31.4 | Very low | 82 Ų | 82 | 131.8 Ų | 131.8 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | cis | -141 | 157.4 | 3.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 80 | E | 24.7 | Very low | 32.4 | Very low | 184 Ų | 184 | 126.5 Ų | 126.5 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | 171.6 | 95.4 | 136.9 | -97.1 | -59.3 | 135.2 | 0 | 0 | 109.2 | ||||
| 81 | P | 35.4 | Very low | 31.8 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | -111.8 | 121.4 | 176.4 | 35.1 | -23.8 | 0 | 0 | 0 | 113.1 | ||||
| 82 | G | 30.3 | Very low | 32.7 | Very low | 79 Ų | 79 | 129 Ų | 129 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | trans | -158.5 | 151 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 83 | S | 32.2 | Very low | 33.6 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | cis | -150.3 | 155.5 | -2.9 | 50.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 84 | L | 29.9 | Very low | 34.6 | Very low | 164 Ų | 164 | 126.7 Ų | 126.7 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | 166.7 | 152.8 | 97.3 | -79.9 | 172.6 | 0 | 0 | 0 | 105.4 | |||||
| 85 | A | 29.4 | Very low | 35 | Very low | 87 Ų | 87 | 128.8 Ų | 128.8 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | cis | -142.1 | -166.8 | -9.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 86 | E | 30.7 | Very low | 35.6 | Very low | 194 Ų | 194 | 129.1 Ų | 129.1 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | cis | -161.6 | 164.8 | 8.2 | -157.8 | 169.6 | -156.5 | 0 | 0 | 107.1 | ||||
| 87 | G | 30.5 | Very low | 36.8 | Very low | 72 Ų | 72 | 125.7 Ų | 125.7 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | 126.9 | 81.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 88 | A | 33.7 | Very low | 37.9 | Very low | 111 Ų | 111 | 126 Ų | 126 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | trans | 14.2 | 131.4 | 148.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 89 | G | 31.8 | Very low | 39.5 | Very low | 75 Ų | 75 | 124 Ų | 124 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | 114.9 | 127 | 129.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 90 | P | 53.6 | Low | 41.6 | Very low | 123 Ų | 123 | 125.5 Ų | 125.5 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -102.7 | 159.1 | 177 | 38.6 | -33.8 | 0 | 0 | 0 | 114.1 | ||||
| 91 | Q | 29.7 | Very low | 43.9 | Very low | 182 Ų | 182 | 121.5 Ų | 121.5 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | trans | 177.8 | 167.8 | 141.9 | -91.2 | -73.4 | -52.4 | 0 | 0 | 109.5 | ||||
| 92 | P | 48.8 | Very low | 46 | Very low | 103 Ų | 103 | 118.9 Ų | 118.9 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | trans | -108.6 | -142.1 | -152.9 | 45.4 | -38.6 | 0 | 0 | 0 | 116.6 | ||||
| 93 | P | 52.9 | Low | 48.4 | Very low | 113 Ų | 113 | 118.8 Ų | 118.8 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | -123 | -150.7 | -127 | 36.2 | -11.4 | 0 | 0 | 0 | 113.7 | |||||
| 94 | P | 57.5 | Low | 50.7 | Low | 121 Ų | 121 | 117.1 Ų | 117.1 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | -121.4 | 176.4 | -64.5 | 35.6 | -21 | 0 | 0 | 0 | 113.6 | |||||
| 95 | S | 37.6 | Very low | 53.2 | Low | 114 Ų | 114 | 117 Ų | 117 | 80% | 0.797 | 70% | 0.698 | S | S | * | * | trans | -147.5 | 161.4 | 161.1 | 57.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 96 | Q | 42.4 | Very low | 56 | Low | 192 Ų | 192 | 116.8 Ų | 116.8 | 90% | 0.897 | 68% | 0.682 | S | S | * | * | trans | -115.9 | 148.4 | -175.9 | -63.2 | 176.3 | -11.2 | 0 | 0 | 111.6 | ||||
| 97 | D | 51.1 | Low | 58.7 | Low | 125 Ų | 125 | 113.5 Ų | 113.5 | 67% | 0.668 | 67% | 0.665 | S | S | * | * | trans | -129.8 | 140.7 | 170.6 | -84.3 | -59.8 | 0 | 0 | 0 | 112.8 | E99 | D97-E99 PolarHBondContact O-N 3Š| ||
| 98 | P | 60.7 | Low | 61.5 | Low | 101 Ų | 101 | 115.2 Ų | 115.2 | 66% | 0.656 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -19.2 | -171.9 | 30.7 | -36.3 | 0 | 0 | 0 | 114.1 | L100 L101 | P98-L100 VanDerWaalsContact C-N 3.26Å; P98-L100 PolarHBondContact O-N 2.92Å; P98-L101 WeakPolarHBondContact O-CB 3.48Å; P98-L101 PolarHBondContact O-N 3.32Å; P98-L101 VanDerWaalsContact O-N 3.16Å |
| 99 | E | 61 | Low | 64.2 | Low | 153 Ų | 153 | 115.4 Ų | 115.4 | 72% | 0.715 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.1 | -35.3 | -179.3 | -169.2 | 163.9 | -140.6 | 0 | 0 | 111.7 | D97 L101 S102 V103 | D97-E99 PolarHBondContact O-N 3Å; E99-L101 PolarHBondContact O-N 2.79Å; E99-S102 WeakPolarHBondContact O-CB 3.46Å; E99-S102 PolarHBondContact O-N 2.67Å; E99-S102 PolarHBondContact O-OG 3.04Å; E99-V103 PolarHBondContact O-N 3.4Å |
| 100 | L | 69.6 | Low | 67 | Low | 114 Ų | 114 | 114.7 Ų | 114.7 | 60% | 0.597 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -55.4 | -37.1 | 174.7 | -167.7 | 72.6 | 0 | 0 | 0 | 112.5 | P98 S102 V103 I104 | P98-L100 VanDerWaalsContact C-N 3.26Å; P98-L100 PolarHBondContact O-N 2.92Å; L100-S102 VanDerWaalsContact C-N 3.27Å; L100-S102 PolarHBondContact O-N 2.87Å; L100-V103 PolarHBondContact O-N 3.38Å; L100-I104 HydrophobicContact CD2-CD1 4.3Å; L100-I104 HydrophobicContact CG-CD1 3.95Å; L100-I104 WeakPolarHBondContact O-CB 3.28Å; L100-I104 VanDerWaalsContact O-CG1 3.29Å; L100-I104 WeakPolarHBondContact O-CG1 3.48Å; L100-I104 PolarHBondContact O-N 2.75Å |
| 101 | L | 74.1 | Confident | 68.9 | Low | 99 Ų | 99 | 114.8 Ų | 114.8 | 52% | 0.518 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.7 | -25.6 | 179.7 | -61.2 | 174.1 | 0 | 0 | 0 | 112.7 | P98 E99 R105 | P98-L101 WeakPolarHBondContact O-CB 3.48Å; P98-L101 PolarHBondContact O-N 3.32Å; P98-L101 VanDerWaalsContact O-N 3.16Å; E99-L101 PolarHBondContact O-N 2.79Å; L101-R105 WeakPolarHBondContact O-CB 3.36Å; L101-R105 WeakPolarHBondContact O-CD 3.15Å; L101-R105 VanDerWaalsContact O-CG 3.25Å; L101-R105 WeakPolarHBondContact O-CG 3.4Å; L101-R105 PolarHBondContact O-N 3.26Å |
| 102 | S | 77.8 | Confident | 71.9 | Confident | 69 Ų | 69 | 109.5 Ų | 109.5 | 48% | 0.483 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -75 | -41.1 | 174.2 | 78 | 0 | 0 | 0 | 0 | 111.3 | E99 L100 R105 Q106 | E99-S102 WeakPolarHBondContact O-CB 3.46Å; E99-S102 PolarHBondContact O-N 2.67Å; E99-S102 PolarHBondContact O-OG 3.04Å; L100-S102 VanDerWaalsContact C-N 3.27Å; L100-S102 PolarHBondContact O-N 2.87Å; S102-R105 PolarHBondContact O-N 2.64Å; S102-Q106 PolarHBondContact O-N 2.76Å |
| 103 | V | 81.3 | Confident | 74 | Confident | 76 Ų | 76 | 109.4 Ų | 109.4 | 46% | 0.461 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67 | -43.4 | 176.9 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | E99 L100 R105 Q106 K107 | E99-V103 PolarHBondContact O-N 3.4Å; L100-V103 PolarHBondContact O-N 3.38Å; V103-R105 PolarHBondContact O-N 2.77Å; V103-Q106 PolarHBondContact O-N 3.49Å; V103-Q106 VanDerWaalsContact O-N 3.12Å; V103-K107 HydrophobicContact CG1-CG 4.5Å; V103-K107 WeakPolarHBondContact O-CG 3.42Å; V103-K107 PolarHBondContact O-N 3.49Å |
| 104 | I | 80.1 | Confident | 75.9 | Confident | 72 Ų | 72 | 106.8 Ų | 106.8 | 37% | 0.369 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -56.5 | -51.2 | 173.8 | -71.8 | 165.1 | 0 | 0 | 0 | 110.1 | L100 Q106 K107 E108 | L100-I104 HydrophobicContact CD2-CD1 4.3Å; L100-I104 HydrophobicContact CG-CD1 3.95Å; L100-I104 WeakPolarHBondContact O-CB 3.28Å; L100-I104 VanDerWaalsContact O-CG1 3.29Å; L100-I104 WeakPolarHBondContact O-CG1 3.48Å; L100-I104 PolarHBondContact O-N 2.75Å; I104-Q106 PolarHBondContact O-N 2.66Å; I104-K107 CarbonylContact O-C 3.54Å; I104-K107 PolarHBondContact O-N 3.05Å; I104-K107 VanDerWaalsContact O-N 3.08Å; I104-E108 HydrophobicContact CG2-CG 4.31Å; I104-E108 WeakPolarHBondContact CG2-OE1 3.28Å; I104-E108 WeakPolarHBondContact O-CG 3.27Å; I104-E108 PolarHBondContact O-N 2.76Å |
| 105 | R | 83.4 | Confident | 77.6 | Confident | 160 Ų | 160 | 104.2 Ų | 104.2 | 60% | 0.604 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.9 | -25.6 | 177.3 | -74.1 | 172.6 | -177.8 | 171.3 | 2.9 | 114.2 | L101 S102 V103 E108 K109 | L101-R105 WeakPolarHBondContact O-CB 3.36Å; L101-R105 WeakPolarHBondContact O-CD 3.15Å; L101-R105 VanDerWaalsContact O-CG 3.25Å; L101-R105 WeakPolarHBondContact O-CG 3.4Å; L101-R105 PolarHBondContact O-N 3.26Å; S102-R105 PolarHBondContact O-N 2.64Å; V103-R105 PolarHBondContact O-N 2.77Å; R105-E108 WeakPolarHBondContact CA-OE2 3.32Å; R105-K109 WeakPolarHBondContact O-CE 3.46Å; R105-K109 WeakPolarHBondContact O-CG 3.31Å; R105-K109 PolarHBondContact O-N 3.1Å |
| 106 | Q | 87 | Confident | 80.2 | Confident | 83 Ų | 83 | 106.9 Ų | 106.9 | 39% | 0.388 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -77.2 | -45.4 | 172.1 | -171.3 | 55.2 | 37.5 | 0 | 0 | 110.9 | S102 V103 I104 E108 K109 D110 | S102-Q106 PolarHBondContact O-N 2.76Å; V103-Q106 PolarHBondContact O-N 3.49Å; V103-Q106 VanDerWaalsContact O-N 3.12Å; I104-Q106 PolarHBondContact O-N 2.66Å; Q106-E108 VanDerWaalsContact C-N 3.3Å; Q106-E108 PolarHBondContact O-N 2.66Å; Q106-K109 WeakPolarHBondContact O-CB 3.48Å; Q106-K109 PolarHBondContact O-N 3.48Å; Q106-K109 VanDerWaalsContact O-N 3.09Å; Q106-D110 PolarHBondContact NE2-OD1 3.46Å; Q106-D110 PolarHBondContact O-N 3.03Å |
| 107 | K | 87.9 | Confident | 82.7 | Confident | 125 Ų | 125 | 103.2 Ų | 103.2 | 54% | 0.543 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.1 | -35.4 | 174.9 | -68.2 | -61.1 | -176.2 | -173.1 | 0 | 113 | V103 I104 D110 L111 | V103-K107 HydrophobicContact CG1-CG 4.5Å; V103-K107 WeakPolarHBondContact O-CG 3.42Å; V103-K107 PolarHBondContact O-N 3.49Å; I104-K107 CarbonylContact O-C 3.54Å; I104-K107 PolarHBondContact O-N 3.05Å; I104-K107 VanDerWaalsContact O-N 3.08Å; K107-D110 PolarHBondContact O-N 2.79Å; K107-L111 VanDerWaalsContact O-CB 3.3Å; K107-L111 WeakPolarHBondContact O-CB 3.35Å; K107-L111 VanDerWaalsContact O-CG 3.22Å; K107-L111 WeakPolarHBondContact O-CG 3.42Å; K107-L111 PolarHBondContact O-N 3.15Å |
| 108 | E | 89.3 | Confident | 84.8 | Confident | 108 Ų | 108 | 98.6 Ų | 98.6 | 51% | 0.505 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 171.3 | -73.9 | 169.4 | 169.8 | 0 | 0 | 111.9 | I104 R105 Q106 V112 | I104-E108 HydrophobicContact CG2-CG 4.31Å; I104-E108 WeakPolarHBondContact CG2-OE1 3.28Å; I104-E108 WeakPolarHBondContact O-CG 3.27Å; I104-E108 PolarHBondContact O-N 2.76Å; R105-E108 WeakPolarHBondContact CA-OE2 3.32Å; Q106-E108 VanDerWaalsContact C-N 3.3Å; Q106-E108 PolarHBondContact O-N 2.66Å; E108-V112 WeakPolarHBondContact O-CB 3.43Å; E108-V112 VanDerWaalsContact O-CG2 3.29Å; E108-V112 WeakPolarHBondContact O-CG2 3.49Å; E108-V112 PolarHBondContact O-N 2.73Å |
| 109 | K | 91.1 | Very high | 86.5 | Confident | 115 Ų | 115 | 99.7 Ų | 99.7 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -45.3 | 174.3 | -64 | 167.1 | -155.3 | 162 | 0 | 111.3 | R105 Q106 L111 V112 L113 | R105-K109 WeakPolarHBondContact O-CE 3.46Å; R105-K109 WeakPolarHBondContact O-CG 3.31Å; R105-K109 PolarHBondContact O-N 3.1Å; Q106-K109 WeakPolarHBondContact O-CB 3.48Å; Q106-K109 PolarHBondContact O-N 3.48Å; Q106-K109 VanDerWaalsContact O-N 3.09Å; K109-L111 VanDerWaalsContact C-N 3.33Å; K109-L111 PolarHBondContact O-N 3.21Å; K109-V112 CarbonylContact O-C 3.58Å; K109-V112 PolarHBondContact O-N 3.49Å; K109-L113 WeakPolarHBondContact O-CB 3.37Å; K109-L113 VanDerWaalsContact O-CG 3.29Å; K109-L113 WeakPolarHBondContact O-CG 3.27Å; K109-L113 PolarHBondContact O-N 2.85Å |
| 110 | D | 90.6 | Very high | 88.1 | Confident | 61 Ų | 61 | 94.8 Ų | 94.8 | 33% | 0.326 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | -178.1 | -60 | -20.6 | 0 | 0 | 0 | 110.7 | Q106 K107 L113 A114 | Q106-D110 PolarHBondContact NE2-OD1 3.46Å; Q106-D110 PolarHBondContact O-N 3.03Å; K107-D110 PolarHBondContact O-N 2.79Å; D110-L113 PolarHBondContact O-N 3.49Å; D110-A114 WeakPolarHBondContact O-CB 3.28Å; D110-A114 PolarHBondContact O-N 3.11Å |
| 111 | L | 92.8 | Very high | 89.4 | Confident | 124 Ų | 124 | 94.3 Ų | 94.3 | 65% | 0.649 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.4 | -42.1 | 173 | -74.5 | 168.5 | 0 | 0 | 0 | 112.2 | K107 K109 L113 A114 A115 | K107-L111 VanDerWaalsContact O-CB 3.3Å; K107-L111 WeakPolarHBondContact O-CB 3.35Å; K107-L111 VanDerWaalsContact O-CG 3.22Å; K107-L111 WeakPolarHBondContact O-CG 3.42Å; K107-L111 PolarHBondContact O-N 3.15Å; K109-L111 VanDerWaalsContact C-N 3.33Å; K109-L111 PolarHBondContact O-N 3.21Å; L111-L113 VanDerWaalsContact C-N 3.32Å; L111-L113 PolarHBondContact O-N 3.3Å; L111-A114 PolarHBondContact O-N 2.82Å; L111-A115 VanDerWaalsContact O-CB 3.3Å; L111-A115 WeakPolarHBondContact O-CB 2.98Å; L111-A115 PolarHBondContact O-N 3.26Å |
| 112 | V | 93.3 | Very high | 90.5 | Very high | 72 Ų | 72 | 94.7 Ų | 94.7 | 44% | 0.436 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -35.3 | 174.5 | 167.4 | 0 | 0 | 0 | 0 | 111.5 | E108 K109 R116 | E108-V112 WeakPolarHBondContact O-CB 3.43Å; E108-V112 VanDerWaalsContact O-CG2 3.29Å; E108-V112 WeakPolarHBondContact O-CG2 3.49Å; E108-V112 PolarHBondContact O-N 2.73Å; K109-V112 CarbonylContact O-C 3.58Å; K109-V112 PolarHBondContact O-N 3.49Å; V112-R116 WeakPolarHBondContact O-CB 3.3Å; V112-R116 WeakPolarHBondContact O-CD 3.46Å; V112-R116 WeakPolarHBondContact O-CG 3.24Å; V112-R116 PolarHBondContact O-N 2.89Å |
| 113 | L | 92.1 | Very high | 91.3 | Very high | 100 Ų | 100 | 95.2 Ų | 95.2 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.8 | -41.7 | 174.2 | -72.2 | 171.1 | 0 | 0 | 0 | 111.6 | K109 D110 L111 R116 L117 | K109-L113 WeakPolarHBondContact O-CB 3.37Å; K109-L113 VanDerWaalsContact O-CG 3.29Å; K109-L113 WeakPolarHBondContact O-CG 3.27Å; K109-L113 PolarHBondContact O-N 2.85Å; D110-L113 PolarHBondContact O-N 3.49Å; L111-L113 VanDerWaalsContact C-N 3.32Å; L111-L113 PolarHBondContact O-N 3.3Å; L113-R116 PolarHBondContact O-N 2.77Å; L113-L117 WeakPolarHBondContact O-CB 3.33Å; L113-L117 PolarHBondContact O-N 3.31Å |
| 114 | A | 93.1 | Very high | 92 | Very high | 58 Ų | 58 | 99.8 Ų | 99.8 | 48% | 0.479 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D110 L111 L117 G118 | D110-A114 WeakPolarHBondContact O-CB 3.28Å; D110-A114 PolarHBondContact O-N 3.11Å; L111-A114 PolarHBondContact O-N 2.82Å; A114-L117 PolarHBondContact O-N 3.05Å; A114-G118 PolarHBondContact O-N 2.86Å |
| 115 | A | 92.6 | Very high | 92.8 | Very high | 67 Ų | 67 | 101 Ų | 101 | 55% | 0.554 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.6 | -35.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | L111 K119 | L111-A115 VanDerWaalsContact O-CB 3.3Å; L111-A115 WeakPolarHBondContact O-CB 2.98Å; L111-A115 PolarHBondContact O-N 3.26Å; A115-K119 VanDerWaalsContact O-CB 3.31Å; A115-K119 WeakPolarHBondContact O-CB 3.35Å; A115-K119 PolarHBondContact O-N 2.79Å |
| 116 | R | 93.3 | Very high | 93.4 | Very high | 170 Ų | 170 | 97.8 Ų | 97.8 | 64% | 0.642 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.4 | -41.2 | 172.3 | -75.1 | 167.8 | -176 | -170.5 | 2.7 | 112.2 | V112 L113 K119 A120 | V112-R116 WeakPolarHBondContact O-CB 3.3Å; V112-R116 WeakPolarHBondContact O-CD 3.46Å; V112-R116 WeakPolarHBondContact O-CG 3.24Å; V112-R116 PolarHBondContact O-N 2.89Å; L113-R116 PolarHBondContact O-N 2.77Å; R116-K119 PolarHBondContact O-N 3.39Å; R116-A120 WeakPolarHBondContact O-CB 3.39Å; R116-A120 PolarHBondContact O-N 2.72Å |
| 117 | L | 94.3 | Very high | 93.9 | Very high | 115 Ų | 115 | 97.4 Ų | 97.4 | 60% | 0.602 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.6 | -47.9 | 173.8 | -170.9 | 85.9 | 0 | 0 | 0 | 110.4 | L113 A114 K119 A120 L121 | L113-L117 WeakPolarHBondContact O-CB 3.33Å; L113-L117 PolarHBondContact O-N 3.31Å; A114-L117 PolarHBondContact O-N 3.05Å; L117-K119 VanDerWaalsContact C-N 3.33Å; L117-K119 PolarHBondContact O-N 3.3Å; L117-A120 PolarHBondContact O-N 2.89Å; L117-L121 HydrophobicContact CD2-CD1 4.27Å; L117-L121 HydrophobicContact CG-CD1 4.13Å; L117-L121 WeakPolarHBondContact O-CB 3.27Å; L117-L121 VanDerWaalsContact O-CG 3.31Å; L117-L121 WeakPolarHBondContact O-CG 3.28Å; L117-L121 PolarHBondContact O-N 3.44Å |
| 118 | G | 95.3 | Very high | 94.3 | Very high | 28 Ų | 28 | 94.4 Ų | 94.4 | 29% | 0.289 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.4 | -42.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A114 L121 L122 | A114-G118 PolarHBondContact O-N 2.86Å; G118-L121 PolarHBondContact O-N 2.86Å; G118-L122 WeakPolarHBondContact O-CB 3.47Å; G118-L122 VanDerWaalsContact O-CG 3.27Å; G118-L122 WeakPolarHBondContact O-CG 3.5Å; G118-L122 PolarHBondContact O-N 2.84Å |
| 119 | K | 96.1 | Very high | 94.6 | Very high | 124 Ų | 124 | 91.7 Ų | 91.7 | 54% | 0.539 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 173.6 | -172.9 | 170.1 | -175.8 | -74.5 | 0 | 112.2 | A115 R116 L117 L121 L122 E123 | A115-K119 VanDerWaalsContact O-CB 3.31Å; A115-K119 WeakPolarHBondContact O-CB 3.35Å; A115-K119 PolarHBondContact O-N 2.79Å; R116-K119 PolarHBondContact O-N 3.39Å; L117-K119 VanDerWaalsContact C-N 3.33Å; L117-K119 PolarHBondContact O-N 3.3Å; K119-L121 VanDerWaalsContact C-N 3.33Å; K119-L121 PolarHBondContact O-N 3.25Å; K119-L122 PolarHBondContact O-N 2.97Å; K119-E123 IonicContact NZ-OE1 2.67Å; K119-E123 PolarHBondContact NZ-OE1 3.01Å; K119-E123 WeakPolarHBondContact O-CB 3.34Å; K119-E123 VanDerWaalsContact O-CG 3.27Å; K119-E123 WeakPolarHBondContact O-CG 3.19Å; K119-E123 PolarHBondContact O-N 2.85Å |
| 120 | A | 95.5 | Very high | 94.9 | Very high | 51 Ų | 51 | 91.8 Ų | 91.8 | 42% | 0.421 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.3 | -33.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R116 L117 R124 | R116-A120 WeakPolarHBondContact O-CB 3.39Å; R116-A120 PolarHBondContact O-N 2.72Å; L117-A120 PolarHBondContact O-N 2.89Å; A120-R124 VanDerWaalsContact O-CB 3.29Å; A120-R124 WeakPolarHBondContact O-CB 3.05Å; A120-R124 PolarHBondContact O-N 3.27Å |
| 121 | L | 96.6 | Very high | 95.2 | Very high | 103 Ų | 103 | 93.6 Ų | 93.6 | 54% | 0.539 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.4 | -39 | 172.6 | -72.7 | 170.2 | 0 | 0 | 0 | 111.7 | L117 G118 K119 N125 | L117-L121 HydrophobicContact CD2-CD1 4.27Å; L117-L121 HydrophobicContact CG-CD1 4.13Å; L117-L121 WeakPolarHBondContact O-CB 3.27Å; L117-L121 VanDerWaalsContact O-CG 3.31Å; L117-L121 WeakPolarHBondContact O-CG 3.28Å; L117-L121 PolarHBondContact O-N 3.44Å; G118-L121 PolarHBondContact O-N 2.86Å; K119-L121 VanDerWaalsContact C-N 3.33Å; K119-L121 PolarHBondContact O-N 3.25Å; L121-N125 WeakPolarHBondContact O-CB 3.39Å; L121-N125 PolarHBondContact O-N 3.47Å |
| 122 | L | 96.8 | Very high | 95.5 | Very high | 107 Ų | 107 | 94.4 Ų | 94.4 | 56% | 0.56 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.8 | -39.8 | 173.2 | -74.3 | 168.8 | 0 | 0 | 0 | 111.9 | G118 K119 N125 Q126 | G118-L122 WeakPolarHBondContact O-CB 3.47Å; G118-L122 VanDerWaalsContact O-CG 3.27Å; G118-L122 WeakPolarHBondContact O-CG 3.5Å; G118-L122 PolarHBondContact O-N 2.84Å; K119-L122 PolarHBondContact O-N 2.97Å; L122-N125 PolarHBondContact O-N 3.25Å; L122-Q126 WeakPolarHBondContact O-CB 3.44Å; L122-Q126 VanDerWaalsContact O-CG 3.27Å; L122-Q126 WeakPolarHBondContact O-CG 3.44Å; L122-Q126 PolarHBondContact O-N 2.84Å |
| 123 | E | 95.9 | Very high | 95.7 | Very high | 81 Ų | 81 | 95.8 Ų | 95.8 | 38% | 0.379 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.6 | -48.3 | 173.4 | -75 | 166.6 | 162 | 0 | 0 | 110.7 | K119 N125 Q126 D127 | K119-E123 IonicContact NZ-OE1 2.67Å; K119-E123 PolarHBondContact NZ-OE1 3.01Å; K119-E123 WeakPolarHBondContact O-CB 3.34Å; K119-E123 VanDerWaalsContact O-CG 3.27Å; K119-E123 WeakPolarHBondContact O-CG 3.19Å; K119-E123 PolarHBondContact O-N 2.85Å; E123-N125 VanDerWaalsContact C-N 3.31Å; E123-N125 PolarHBondContact O-N 2.82Å; E123-Q126 PolarHBondContact O-N 3.09Å; E123-D127 PolarHBondContact O-N 2.82Å |
| 124 | R | 96.1 | Very high | 95.9 | Very high | 172 Ų | 172 | 96.4 Ų | 96.4 | 65% | 0.649 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.9 | -39.2 | 173.1 | -176.2 | -179.5 | 177.5 | 87.7 | 3.7 | 112.3 | A120 D127 M128 | A120-R124 VanDerWaalsContact O-CB 3.29Å; A120-R124 WeakPolarHBondContact O-CB 3.05Å; A120-R124 PolarHBondContact O-N 3.27Å; R124-D127 PolarHBondContact O-N 3.32Å; R124-M128 WeakPolarHBondContact O-CG 3.43Å; R124-M128 PolarHBondContact O-N 2.89Å |
| 125 | N | 96.3 | Very high | 96.1 | Very high | 98 Ų | 98 | 98.1 Ų | 98.1 | 52% | 0.524 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.7 | -41.4 | 177.6 | -176.8 | -106.9 | 0 | 0 | 0 | 111.4 | L121 L122 E123 D127 M128 S129 | L121-N125 WeakPolarHBondContact O-CB 3.39Å; L121-N125 PolarHBondContact O-N 3.47Å; L122-N125 PolarHBondContact O-N 3.25Å; E123-N125 VanDerWaalsContact C-N 3.31Å; E123-N125 PolarHBondContact O-N 2.82Å; N125-D127 VanDerWaalsContact C-N 3.35Å; N125-D127 PolarHBondContact O-N 3.22Å; N125-M128 PolarHBondContact O-N 3.46Å; N125-S129 PolarHBondContact O-N 2.92Å; N125-S129 PolarHBondContact O-OG 2.74Å |
| 126 | Q | 96.5 | Very high | 96.3 | Very high | 92 Ų | 92 | 100.7 Ų | 100.7 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62 | -39.5 | 171.8 | -72.7 | 171.8 | 20.9 | 0 | 0 | 112.3 | L122 E123 S129 R130 | L122-Q126 WeakPolarHBondContact O-CB 3.44Å; L122-Q126 VanDerWaalsContact O-CG 3.27Å; L122-Q126 WeakPolarHBondContact O-CG 3.44Å; L122-Q126 PolarHBondContact O-N 2.84Å; E123-Q126 PolarHBondContact O-N 3.09Å; Q126-S129 PolarHBondContact O-N 2.79Å; Q126-R130 VanDerWaalsContact O-CG 3.23Å; Q126-R130 WeakPolarHBondContact O-CG 3.35Å; Q126-R130 PolarHBondContact O-N 3Å |
| 127 | D | 96.5 | Very high | 96.6 | Very high | 75 Ų | 75 | 97.7 Ų | 97.7 | 40% | 0.401 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.4 | -38.3 | 174.9 | -74.4 | -29.1 | 0 | 0 | 0 | 112.1 | E123 R124 N125 R130 Q131 | E123-D127 PolarHBondContact O-N 2.82Å; R124-D127 PolarHBondContact O-N 3.32Å; N125-D127 VanDerWaalsContact C-N 3.35Å; N125-D127 PolarHBondContact O-N 3.22Å; D127-R130 PolarHBondContact O-N 3.29Å; D127-R130 IonicContact OD1-CZ 2.76Å; D127-R130 IonicContact OD1-NH1 3.78Å; D127-R130 PolarHBondContact OD1-NH1 3.45Å; D127-Q131 VanDerWaalsContact O-CG 3.3Å; D127-Q131 WeakPolarHBondContact O-CG 3.43Å; D127-Q131 PolarHBondContact O-N 3Å |
| 128 | M | 96.1 | Very high | 96.8 | Very high | 61 Ų | 61 | 96.3 Ų | 96.3 | 30% | 0.3 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 169.4 | -69 | -56.1 | -46.6 | 0 | 0 | 111.4 | R124 N125 R130 Q131 Y132 | R124-M128 WeakPolarHBondContact O-CG 3.43Å; R124-M128 PolarHBondContact O-N 2.89Å; N125-M128 PolarHBondContact O-N 3.46Å; M128-R130 PolarHBondContact O-N 2.81Å; M128-Q131 WeakPolarHBondContact O-CB 3.29Å; M128-Q131 PolarHBondContact O-N 3.29Å; M128-Y132 HydrophobicContact CB-CD2 4.45Å; M128-Y132 HydrophobicContact CB-CE2 4.2Å; M128-Y132 HydrophobicContact CE-CE2 3.98Å; M128-Y132 WeakPolarHBondContact O-CD2 3.35Å; M128-Y132 PolarHBondContact O-N 3.26Å |
| 129 | S | 96.4 | Very high | 96.9 | Very high | 52 Ų | 52 | 99.3 Ų | 99.3 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 175.2 | -64.2 | 0 | 0 | 0 | 0 | 112.2 | N125 Q126 Q131 Y132 E133 | N125-S129 PolarHBondContact O-N 2.92Å; N125-S129 PolarHBondContact O-OG 2.74Å; Q126-S129 PolarHBondContact O-N 2.79Å; S129-Q131 VanDerWaalsContact C-N 3.3Å; S129-Q131 PolarHBondContact O-N 3.46Å; S129-Y132 PolarHBondContact O-N 2.86Å; S129-E133 WeakPolarHBondContact O-CB 3.04Å; S129-E133 WeakPolarHBondContact O-CG 3.16Å; S129-E133 PolarHBondContact O-N 3.29Å |
| 130 | R | 97.6 | Very high | 97 | Very high | 117 Ų | 117 | 96.7 Ų | 96.7 | 44% | 0.442 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60 | -39.9 | 173.9 | -70.6 | 163.4 | -170.9 | 144 | 9.4 | 111.7 | Q126 D127 M128 Q134 | Q126-R130 VanDerWaalsContact O-CG 3.23Å; Q126-R130 WeakPolarHBondContact O-CG 3.35Å; Q126-R130 PolarHBondContact O-N 3Å; D127-R130 PolarHBondContact O-N 3.29Å; D127-R130 IonicContact OD1-CZ 2.76Å; D127-R130 IonicContact OD1-NH1 3.78Å; D127-R130 PolarHBondContact OD1-NH1 3.45Å; M128-R130 PolarHBondContact O-N 2.81Å; R130-Q134 WeakPolarHBondContact O-CB 3.41Å; R130-Q134 WeakPolarHBondContact O-CG 3.38Å; R130-Q134 PolarHBondContact O-N 2.77Å |
| 131 | Q | 97.3 | Very high | 97.1 | Very high | 98 Ų | 98 | 98 Ų | 98 | 46% | 0.458 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.9 | -43.3 | 175.1 | -72.7 | 171.1 | 11.8 | 0 | 0 | 111.8 | D127 M128 S129 Q134 M135 | D127-Q131 VanDerWaalsContact O-CG 3.3Å; D127-Q131 WeakPolarHBondContact O-CG 3.43Å; D127-Q131 PolarHBondContact O-N 3Å; M128-Q131 WeakPolarHBondContact O-CB 3.29Å; M128-Q131 PolarHBondContact O-N 3.29Å; S129-Q131 VanDerWaalsContact C-N 3.3Å; S129-Q131 PolarHBondContact O-N 3.46Å; Q131-Q134 PolarHBondContact O-N 2.83Å; Q131-M135 WeakPolarHBondContact O-CG 3.26Å; Q131-M135 PolarHBondContact O-N 2.79Å |
| 132 | Y | 97.3 | Very high | 97.2 | Very high | 142 Ų | 142 | 97.8 Ų | 97.8 | 56% | 0.557 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.4 | -44.4 | 173.6 | -72.2 | -59.5 | 0 | 0 | 0 | 111.5 | M128 S129 Q134 M135 H136 | M128-Y132 HydrophobicContact CB-CD2 4.45Å; M128-Y132 HydrophobicContact CB-CE2 4.2Å; M128-Y132 HydrophobicContact CE-CE2 3.98Å; M128-Y132 WeakPolarHBondContact O-CD2 3.35Å; M128-Y132 PolarHBondContact O-N 3.26Å; S129-Y132 PolarHBondContact O-N 2.86Å; Y132-Q134 VanDerWaalsContact C-N 3.31Å; Y132-Q134 PolarHBondContact O-N 3.48Å; Y132-M135 PolarHBondContact O-N 2.92Å; Y132-H136 WeakPolarHBondContact O-CB 3.13Å; Y132-H136 PolarHBondContact O-CD2 3.11Å; Y132-H136 PolarHBondContact O-N 3.36Å |
| 133 | E | 97.5 | Very high | 97.3 | Very high | 101 Ų | 101 | 97.6 Ų | 97.6 | 47% | 0.472 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.8 | -39.5 | 173.2 | -79 | -177.6 | -134.6 | 0 | 0 | 113.1 | S129 K137 | S129-E133 WeakPolarHBondContact O-CB 3.04Å; S129-E133 WeakPolarHBondContact O-CG 3.16Å; S129-E133 PolarHBondContact O-N 3.29Å; E133-K137 WeakPolarHBondContact O-CB 3.45Å; E133-K137 WeakPolarHBondContact O-CD 3.25Å; E133-K137 WeakPolarHBondContact O-CE 3.39Å; E133-K137 WeakPolarHBondContact O-CG 3.35Å; E133-K137 PolarHBondContact O-N 3.03Å; E133-K137 IonicContact OE2-NZ 3.66Å; E133-K137 PolarHBondContact OE2-NZ 2.96Å |
| 134 | Q | 97.7 | Very high | 97.4 | Very high | 113 Ų | 113 | 98.5 Ų | 98.5 | 53% | 0.528 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.3 | -46.6 | 175.8 | -75.8 | 162.9 | -6.8 | 0 | 0 | 111 | R130 Q131 Y132 H136 K137 E138 | R130-Q134 WeakPolarHBondContact O-CB 3.41Å; R130-Q134 WeakPolarHBondContact O-CG 3.38Å; R130-Q134 PolarHBondContact O-N 2.77Å; Q131-Q134 PolarHBondContact O-N 2.83Å; Y132-Q134 VanDerWaalsContact C-N 3.31Å; Y132-Q134 PolarHBondContact O-N 3.48Å; Q134-H136 VanDerWaalsContact C-N 3.33Å; Q134-H136 PolarHBondContact O-N 3.39Å; Q134-K137 PolarHBondContact O-N 2.98Å; Q134-E138 PolarHBondContact O-N 3.08Å |
| 135 | M | 97.5 | Very high | 97.5 | Very high | 93 Ų | 93 | 95.7 Ų | 95.7 | 46% | 0.458 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.1 | -36.7 | 175.8 | -66.7 | -50.9 | -49.9 | 0 | 0 | 112.4 | Q131 Y132 L139 | Q131-M135 WeakPolarHBondContact O-CG 3.26Å; Q131-M135 PolarHBondContact O-N 2.79Å; Y132-M135 PolarHBondContact O-N 2.92Å; M135-L139 WeakPolarHBondContact O-CB 3.16Å; M135-L139 WeakPolarHBondContact O-CG 3.18Å; M135-L139 PolarHBondContact O-N 3.34Å |
| 136 | H | 97.1 | Very high | 97.5 | Very high | 122 Ų | 122 | 96 Ų | 96 | 57% | 0.565 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.7 | -43.1 | 174.2 | -79.8 | -62.5 | 0 | 0 | 0 | 111.8 | Y132 Q134 L139 T140 | Y132-H136 WeakPolarHBondContact O-CB 3.13Å; Y132-H136 PolarHBondContact O-CD2 3.11Å; Y132-H136 PolarHBondContact O-N 3.36Å; Q134-H136 VanDerWaalsContact C-N 3.33Å; Q134-H136 PolarHBondContact O-N 3.39Å; H136-L139 PolarHBondContact O-N 3.5Å; H136-L139 VanDerWaalsContact O-N 3.16Å; H136-T140 PolarHBondContact O-N 2.9Å; H136-T140 PolarHBondContact O-OG1 3.33Å |
| 137 | K | 98.1 | Very high | 97.6 | Very high | 107 Ų | 107 | 96.8 Ų | 96.8 | 47% | 0.465 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.5 | -49.1 | 173.7 | -70.4 | 155.6 | -162.9 | 161.7 | 0 | 110.7 | E133 Q134 L139 T140 D141 | E133-K137 WeakPolarHBondContact O-CB 3.45Å; E133-K137 WeakPolarHBondContact O-CD 3.25Å; E133-K137 WeakPolarHBondContact O-CE 3.39Å; E133-K137 WeakPolarHBondContact O-CG 3.35Å; E133-K137 PolarHBondContact O-N 3.03Å; E133-K137 IonicContact OE2-NZ 3.66Å; E133-K137 PolarHBondContact OE2-NZ 2.96Å; Q134-K137 PolarHBondContact O-N 2.98Å; K137-L139 PolarHBondContact O-N 2.85Å; K137-T140 WeakPolarHBondContact CA-OG1 3.27Å; K137-T140 PolarHBondContact O-N 3.11Å; K137-T140 VanDerWaalsContact O-N 3.17Å; K137-T140 PolarHBondContact O-OG1 3.03Å; K137-D141 WeakPolarHBondContact O-CB 3.47Å; K137-D141 PolarHBondContact O-N 2.93Å |
| 138 | E | 98.1 | Very high | 97.7 | Very high | 86 Ų | 86 | 98.3 Ų | 98.3 | 40% | 0.402 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -57 | -32.1 | 173.7 | -88 | -164.5 | -137.2 | 0 | 0 | 113.9 | Q134 K142 | Q134-E138 PolarHBondContact O-N 3.08Å; E138-K142 WeakPolarHBondContact O-CB 3.38Å; E138-K142 WeakPolarHBondContact O-CD 3.42Å; E138-K142 WeakPolarHBondContact O-CE 3.45Å; E138-K142 WeakPolarHBondContact O-CG 3.43Å; E138-K142 PolarHBondContact O-N 3.23Å; E138-K142 IonicContact OE2-NZ 2.58Å; E138-K142 PolarHBondContact OE2-NZ 2.94Å |
| 139 | L | 97.9 | Very high | 97.8 | Very high | 91 Ų | 91 | 100.6 Ų | 100.6 | 48% | 0.476 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -77.9 | -41.1 | 176.9 | -74.7 | 167.6 | 0 | 0 | 0 | 111.8 | M135 H136 K137 K142 L143 | M135-L139 WeakPolarHBondContact O-CB 3.16Å; M135-L139 WeakPolarHBondContact O-CG 3.18Å; M135-L139 PolarHBondContact O-N 3.34Å; H136-L139 PolarHBondContact O-N 3.5Å; H136-L139 VanDerWaalsContact O-N 3.16Å; K137-L139 PolarHBondContact O-N 2.85Å; L139-K142 PolarHBondContact O-N 3.14Å; L139-L143 WeakPolarHBondContact O-CG 3.28Å; L139-L143 PolarHBondContact O-N 2.82Å |
| 140 | T | 98.1 | Very high | 97.9 | Very high | 69 Ų | 69 | 103.3 Ų | 103.3 | 42% | 0.423 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 173 | 50.8 | 0 | 0 | 0 | 0 | 111.1 | H136 K137 K142 L143 E144 | H136-T140 PolarHBondContact O-N 2.9Å; H136-T140 PolarHBondContact O-OG1 3.33Å; K137-T140 WeakPolarHBondContact CA-OG1 3.27Å; K137-T140 PolarHBondContact O-N 3.11Å; K137-T140 VanDerWaalsContact O-N 3.17Å; K137-T140 PolarHBondContact O-OG1 3.03Å; T140-K142 VanDerWaalsContact C-N 3.3Å; T140-K142 PolarHBondContact O-N 2.78Å; T140-L143 PolarHBondContact O-N 3.35Å; T140-L143 VanDerWaalsContact O-N 3.12Å; T140-E144 WeakPolarHBondContact O-CG 3.44Å; T140-E144 PolarHBondContact O-N 3.03Å |
| 141 | D | 98.4 | Very high | 97.9 | Very high | 77 Ų | 77 | 102.4 Ų | 102.4 | 41% | 0.412 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -56.1 | -46 | 175.5 | -61.8 | -12.5 | 0 | 0 | 0 | 110.6 | K137 E144 H145 | K137-D141 WeakPolarHBondContact O-CB 3.47Å; K137-D141 PolarHBondContact O-N 2.93Å; D141-E144 PolarHBondContact O-N 2.86Å; D141-H145 PolarHBondContact O-N 3.01Å; D141-H145 PolarHBondContact O-ND1 3.4Å |
| 142 | K | 98.4 | Very high | 98 | Very high | 100 Ų | 100 | 101.4 Ų | 101.4 | 44% | 0.435 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.5 | -35.2 | 178.9 | -71.7 | 160.7 | -156.3 | 162.2 | 0 | 112.4 | E138 L139 T140 L146 | E138-K142 WeakPolarHBondContact O-CB 3.38Å; E138-K142 WeakPolarHBondContact O-CD 3.42Å; E138-K142 WeakPolarHBondContact O-CE 3.45Å; E138-K142 WeakPolarHBondContact O-CG 3.43Å; E138-K142 PolarHBondContact O-N 3.23Å; E138-K142 IonicContact OE2-NZ 2.58Å; E138-K142 PolarHBondContact OE2-NZ 2.94Å; L139-K142 PolarHBondContact O-N 3.14Å; T140-K142 VanDerWaalsContact C-N 3.3Å; T140-K142 PolarHBondContact O-N 2.78Å; K142-L146 VanDerWaalsContact O-CG 3.29Å; K142-L146 WeakPolarHBondContact O-CG 3.23Å; K142-L146 PolarHBondContact O-N 3.39Å; K142-L146 VanDerWaalsContact O-N 3.09Å |
| 143 | L | 97.9 | Very high | 98 | Very high | 102 Ų | 102 | 98.5 Ų | 98.5 | 53% | 0.534 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.9 | -46.8 | 172.8 | -72 | 168 | 0 | 0 | 0 | 111.1 | L139 T140 H145 L146 E147 | L139-L143 WeakPolarHBondContact O-CG 3.28Å; L139-L143 PolarHBondContact O-N 2.82Å; T140-L143 PolarHBondContact O-N 3.35Å; T140-L143 VanDerWaalsContact O-N 3.12Å; L143-H145 VanDerWaalsContact C-N 3.32Å; L143-H145 PolarHBondContact O-N 3.4Å; L143-L146 PolarHBondContact O-N 3.26Å; L143-L146 VanDerWaalsContact O-N 3.15Å; L143-E147 WeakPolarHBondContact O-CG 3.4Å; L143-E147 PolarHBondContact O-N 3.29Å |
| 144 | E | 97.8 | Very high | 98.1 | Very high | 101 Ų | 101 | 99.1 Ų | 99.1 | 47% | 0.472 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58 | -42.1 | 176.3 | -73 | -179 | -159.8 | 0 | 0 | 112.1 | T140 D141 E147 Q148 | T140-E144 WeakPolarHBondContact O-CG 3.44Å; T140-E144 PolarHBondContact O-N 3.03Å; D141-E144 PolarHBondContact O-N 2.86Å; E144-E147 PolarHBondContact O-N 3.45Å; E144-Q148 WeakPolarHBondContact O-CB 3.36Å; E144-Q148 WeakPolarHBondContact O-CG 3.25Å; E144-Q148 PolarHBondContact O-N 2.93Å; E144-Q148 PolarHBondContact O-NE2 2.77Å |
| 145 | H | 98.4 | Very high | 98.1 | Very high | 113 Ų | 113 | 100.3 Ų | 100.3 | 52% | 0.523 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 175.5 | -75.3 | 74.2 | 0 | 0 | 0 | 112 | D141 L143 E147 Q148 E149 | D141-H145 PolarHBondContact O-N 3.01Å; D141-H145 PolarHBondContact O-ND1 3.4Å; L143-H145 VanDerWaalsContact C-N 3.32Å; L143-H145 PolarHBondContact O-N 3.4Å; H145-E147 VanDerWaalsContact C-N 3.32Å; H145-E147 PolarHBondContact O-N 3.18Å; H145-Q148 PolarHBondContact O-N 3.26Å; H145-E149 WeakPolarHBondContact O-CG 3.37Å; H145-E149 PolarHBondContact O-N 3.04Å |
| 146 | L | 98.1 | Very high | 98.2 | Very high | 105 Ų | 105 | 101.2 Ų | 101.2 | 55% | 0.55 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.9 | -34.3 | 177 | -72.3 | 170.1 | 0 | 0 | 0 | 112.3 | K142 L143 K150 | K142-L146 VanDerWaalsContact O-CG 3.29Å; K142-L146 WeakPolarHBondContact O-CG 3.23Å; K142-L146 PolarHBondContact O-N 3.39Å; K142-L146 VanDerWaalsContact O-N 3.09Å; L143-L146 PolarHBondContact O-N 3.26Å; L143-L146 VanDerWaalsContact O-N 3.15Å; L146-K150 WeakPolarHBondContact O-CB 3.2Å; L146-K150 PolarHBondContact O-N 2.91Å |
| 147 | E | 98.1 | Very high | 98.2 | Very high | 107 Ų | 107 | 100.8 Ų | 100.8 | 50% | 0.5 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.7 | -43.4 | 172.9 | -73.5 | -179 | 173.7 | 0 | 0 | 111.7 | L143 E144 H145 K150 H151 | L143-E147 WeakPolarHBondContact O-CG 3.4Å; L143-E147 PolarHBondContact O-N 3.29Å; E144-E147 PolarHBondContact O-N 3.45Å; H145-E147 VanDerWaalsContact C-N 3.32Å; H145-E147 PolarHBondContact O-N 3.18Å; E147-K150 WeakPolarHBondContact O-CB 3.41Å; E147-K150 PolarHBondContact O-N 2.76Å; E147-H151 WeakPolarHBondContact O-CB 3.17Å; E147-H151 PolarHBondContact O-CD2 3.49Å; E147-H151 PolarHBondContact O-N 3.3Å |
| 148 | Q | 98.3 | Very high | 98.3 | Very high | 107 Ų | 107 | 100.6 Ų | 100.6 | 50% | 0.5 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58 | -51.2 | 173 | -71.9 | 164.5 | 46.1 | 0 | 0 | 110.9 | E144 H145 K150 H151 E152 | E144-Q148 WeakPolarHBondContact O-CB 3.36Å; E144-Q148 WeakPolarHBondContact O-CG 3.25Å; E144-Q148 PolarHBondContact O-N 2.93Å; E144-Q148 PolarHBondContact O-NE2 2.77Å; H145-Q148 PolarHBondContact O-N 3.26Å; Q148-K150 PolarHBondContact O-N 3.02Å; Q148-H151 CarbonylContact O-C 3.47Å; Q148-H151 PolarHBondContact O-N 2.87Å; Q148-E152 WeakPolarHBondContact O-CG 3.5Å; Q148-E152 PolarHBondContact O-N 2.8Å |
| 149 | E | 97.9 | Very high | 98.3 | Very high | 110 Ų | 110 | 101.8 Ų | 101.8 | 51% | 0.514 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.4 | -43.6 | 175.8 | -74.4 | -175.7 | 174.6 | 0 | 0 | 112.1 | H145 H151 E152 L153 | H145-E149 WeakPolarHBondContact O-CG 3.37Å; H145-E149 PolarHBondContact O-N 3.04Å; E149-H151 PolarHBondContact O-N 3.34Å; E149-E152 PolarHBondContact O-N 2.97Å; E149-L153 VanDerWaalsContact O-CB 3.31Å; E149-L153 WeakPolarHBondContact O-CB 3.27Å; E149-L153 VanDerWaalsContact O-CG 3.26Å; E149-L153 WeakPolarHBondContact O-CG 3.4Å; E149-L153 PolarHBondContact O-N 3.04Å |
| 150 | K | 98.4 | Very high | 98.3 | Very high | 108 Ų | 108 | 103 Ų | 103 | 47% | 0.47 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 175.3 | 180 | -175 | -174.4 | -177.7 | 0 | 111.9 | L146 E147 Q148 R154 | L146-K150 WeakPolarHBondContact O-CB 3.2Å; L146-K150 PolarHBondContact O-N 2.91Å; E147-K150 WeakPolarHBondContact O-CB 3.41Å; E147-K150 PolarHBondContact O-N 2.76Å; Q148-K150 PolarHBondContact O-N 3.02Å; K150-R154 WeakPolarHBondContact O-CB 3.45Å; K150-R154 WeakPolarHBondContact O-CD 3.28Å; K150-R154 WeakPolarHBondContact O-CG 3.29Å; K150-R154 PolarHBondContact O-N 2.97Å |
| 151 | H | 98.5 | Very high | 98.3 | Very high | 98 Ų | 98 | 104.6 Ų | 104.6 | 45% | 0.454 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -75.8 | -26.6 | 176.8 | -80.1 | -77 | 0 | 0 | 0 | 113.7 | E147 Q148 E149 R154 R155 | E147-H151 WeakPolarHBondContact O-CB 3.17Å; E147-H151 PolarHBondContact O-CD2 3.49Å; E147-H151 PolarHBondContact O-N 3.3Å; Q148-H151 CarbonylContact O-C 3.47Å; Q148-H151 PolarHBondContact O-N 2.87Å; E149-H151 PolarHBondContact O-N 3.34Å; H151-R154 PolarHBondContact CE1-NH1 3.49Å; H151-R155 WeakPolarHBondContact O-CG 3.37Å; H151-R155 PolarHBondContact O-N 3.18Å; H151-R155 PolarHBondContact O-NE 3.14Å |
| 152 | E | 98.4 | Very high | 98.3 | Very high | 77 Ų | 77 | 102.5 Ų | 102.5 | 36% | 0.36 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -72.9 | -44.4 | 168.1 | -71.1 | -165.3 | 152.9 | 0 | 0 | 112.3 | Q148 E149 R155 R156 | Q148-E152 WeakPolarHBondContact O-CG 3.5Å; Q148-E152 PolarHBondContact O-N 2.8Å; E149-E152 PolarHBondContact O-N 2.97Å; E152-R155 PolarHBondContact O-N 2.97Å; E152-R156 VanDerWaalsContact CD-NH2 3.34Å; E152-R156 WeakPolarHBondContact O-CB 3.43Å; E152-R156 WeakPolarHBondContact O-CG 3.4Å; E152-R156 PolarHBondContact O-N 3.36Å; E152-R156 IonicContact OE1-NH2 2.68Å; E152-R156 IonicContact OE2-CZ 3.18Å; E152-R156 IonicContact OE2-NH1 2.82Å; E152-R156 PolarHBondContact OE2-NH1 2.9Å; E152-R156 IonicContact OE2-NH2 2.68Å; E152-R156 PolarHBondContact OE2-NH2 3.04Å |
| 153 | L | 98.4 | Very high | 98.3 | Very high | 81 Ų | 81 | 102.4 Ų | 102.4 | 42% | 0.424 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 180 | -75.3 | 171.2 | 0 | 0 | 0 | 111.1 | E149 R155 R156 F157 | E149-L153 VanDerWaalsContact O-CB 3.31Å; E149-L153 WeakPolarHBondContact O-CB 3.27Å; E149-L153 VanDerWaalsContact O-CG 3.26Å; E149-L153 WeakPolarHBondContact O-CG 3.4Å; E149-L153 PolarHBondContact O-N 3.04Å; L153-R155 PolarHBondContact O-N 2.78Å; L153-R156 CarbonylContact O-C 3.59Å; L153-R156 WeakPolarHBondContact O-CA 3.49Å; L153-R156 WeakPolarHBondContact O-CB 3.33Å; L153-R156 PolarHBondContact O-N 2.91Å; L153-R156 VanDerWaalsContact O-N 3.09Å; L153-F157 HydrophobicContact CB-CE2 4.39Å; L153-F157 WeakPolarHBondContact O-CD2 3.31Å; L153-F157 PolarHBondContact O-N 3.4Å |
| 154 | R | 98.6 | Very high | 98.3 | Very high | 115 Ų | 115 | 105.1 Ų | 105.1 | 43% | 0.434 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -48.5 | -58.9 | 170.4 | -80.5 | 166.7 | 167.6 | 171 | -13.8 | 111.9 | K150 H151 R156 F157 E158 | K150-R154 WeakPolarHBondContact O-CB 3.45Å; K150-R154 WeakPolarHBondContact O-CD 3.28Å; K150-R154 WeakPolarHBondContact O-CG 3.29Å; K150-R154 PolarHBondContact O-N 2.97Å; H151-R154 PolarHBondContact CE1-NH1 3.49Å; R154-R156 VanDerWaalsContact C-N 3.27Å; R154-R156 PolarHBondContact O-N 3.47Å; R154-F157 WeakPolarHBondContact O-CA 3.49Å; R154-F157 PolarHBondContact O-N 2.65Å; R154-E158 WeakPolarHBondContact CB-OE1 3.45Å; R154-E158 VanDerWaalsContact O-CG 3.31Å; R154-E158 WeakPolarHBondContact O-CG 3.27Å; R154-E158 PolarHBondContact O-N 3.43Å |
| 155 | R | 98.5 | Very high | 98.4 | Very high | 138 Ų | 138 | 106.9 Ų | 106.9 | 52% | 0.521 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.4 | -32.5 | 176.5 | -70.7 | 177.4 | -68.1 | 167.3 | 1.9 | 113.9 | H151 E152 L153 F157 E158 N159 | H151-R155 WeakPolarHBondContact O-CG 3.37Å; H151-R155 PolarHBondContact O-N 3.18Å; H151-R155 PolarHBondContact O-NE 3.14Å; E152-R155 PolarHBondContact O-N 2.97Å; L153-R155 PolarHBondContact O-N 2.78Å; R155-F157 VanDerWaalsContact C-N 3.35Å; R155-E158 WeakPolarHBondContact CA-OE2 3.45Å; R155-E158 WeakPolarHBondContact CG-OE2 3.49Å; R155-N159 VanDerWaalsContact O-CB 3.26Å; R155-N159 WeakPolarHBondContact O-CB 3.44Å; R155-N159 PolarHBondContact O-N 3.25Å; R155-N159 PolarHBondContact O-ND2 2.87Å |
| 156 | R | 98.6 | Very high | 98.4 | Very high | 112 Ų | 112 | 102.8 Ų | 102.8 | 42% | 0.423 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -74.8 | -19.6 | 173.8 | -71.8 | 168.4 | -179.7 | 136.7 | 9.4 | 113.2 | E152 L153 R154 R160 | E152-R156 VanDerWaalsContact CD-NH2 3.34Å; E152-R156 WeakPolarHBondContact O-CB 3.43Å; E152-R156 WeakPolarHBondContact O-CG 3.4Å; E152-R156 PolarHBondContact O-N 3.36Å; E152-R156 IonicContact OE1-NH2 2.68Å; E152-R156 IonicContact OE2-CZ 3.18Å; E152-R156 IonicContact OE2-NH1 2.82Å; E152-R156 PolarHBondContact OE2-NH1 2.9Å; E152-R156 IonicContact OE2-NH2 2.68Å; E152-R156 PolarHBondContact OE2-NH2 3.04Å; L153-R156 CarbonylContact O-C 3.59Å; L153-R156 WeakPolarHBondContact O-CA 3.49Å; L153-R156 WeakPolarHBondContact O-CB 3.33Å; L153-R156 PolarHBondContact O-N 2.91Å; L153-R156 VanDerWaalsContact O-N 3.09Å; R154-R156 VanDerWaalsContact C-N 3.27Å; R154-R156 PolarHBondContact O-N 3.47Å; R156-R160 WeakPolarHBondContact O-CD 3.44Å; R156-R160 VanDerWaalsContact O-CG 3.29Å; R156-R160 WeakPolarHBondContact O-CG 3.45Å; R156-R160 PolarHBondContact O-NH1 3.39Å |
| 157 | F | 98.2 | Very high | 98.4 | Very high | 112 Ų | 112 | 102.1 Ų | 102.1 | 49% | 0.491 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -86 | -50.6 | 169.8 | -74.1 | -65.8 | 0 | 0 | 0 | 110.1 | L153 R154 R155 N159 R160 E161 | L153-F157 HydrophobicContact CB-CE2 4.39Å; L153-F157 WeakPolarHBondContact O-CD2 3.31Å; L153-F157 PolarHBondContact O-N 3.4Å; R154-F157 WeakPolarHBondContact O-CA 3.49Å; R154-F157 PolarHBondContact O-N 2.65Å; R155-F157 VanDerWaalsContact C-N 3.35Å; F157-N159 VanDerWaalsContact C-N 3.29Å; F157-N159 PolarHBondContact O-N 3.07Å; F157-R160 CarbonylContact O-C 3.54Å; F157-R160 WeakPolarHBondContact O-CA 3.38Å; F157-R160 WeakPolarHBondContact O-CB 3.4Å; F157-R160 PolarHBondContact O-N 3.44Å; F157-E161 WeakPolarHBondContact O-CG 3.46Å; F157-E161 PolarHBondContact O-N 2.92Å |
| 158 | E | 98.5 | Very high | 98.4 | Very high | 103 Ų | 103 | 100.7 Ų | 100.7 | 48% | 0.481 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -48.8 | -47.1 | 174.1 | -66.9 | 153.6 | -155.8 | 0 | 0 | 112.1 | R154 R155 R160 E161 G162 | R154-E158 WeakPolarHBondContact CB-OE1 3.45Å; R154-E158 VanDerWaalsContact O-CG 3.31Å; R154-E158 WeakPolarHBondContact O-CG 3.27Å; R154-E158 PolarHBondContact O-N 3.43Å; R155-E158 WeakPolarHBondContact CA-OE2 3.45Å; R155-E158 WeakPolarHBondContact CG-OE2 3.49Å; E158-R160 PolarHBondContact O-N 2.82Å; E158-E161 WeakPolarHBondContact CA-OE2 3.2Å; E158-E161 PolarHBondContact O-N 3.27Å; E158-G162 PolarHBondContact O-N 2.9Å |
| 159 | N | 98.5 | Very high | 98.4 | Very high | 112 Ų | 112 | 98.9 Ų | 98.9 | 60% | 0.599 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.9 | -38.3 | 176.3 | -74.6 | -11.9 | 0 | 0 | 0 | 113 | R155 F157 E163 | R155-N159 VanDerWaalsContact O-CB 3.26Å; R155-N159 WeakPolarHBondContact O-CB 3.44Å; R155-N159 PolarHBondContact O-N 3.25Å; R155-N159 PolarHBondContact O-ND2 2.87Å; F157-N159 VanDerWaalsContact C-N 3.29Å; F157-N159 PolarHBondContact O-N 3.07Å; N159-E163 WeakPolarHBondContact O-CG 3.38Å; N159-E163 PolarHBondContact O-N 3.12Å |
| 160 | R | 98.6 | Very high | 98.4 | Very high | 116 Ų | 116 | 99.2 Ų | 99.2 | 44% | 0.438 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -75.8 | -35 | 179.2 | -71.4 | 179 | -170.2 | 117.4 | -11.8 | 111.7 | R156 F157 E158 E163 W164 | R156-R160 WeakPolarHBondContact O-CD 3.44Å; R156-R160 VanDerWaalsContact O-CG 3.29Å; R156-R160 WeakPolarHBondContact O-CG 3.45Å; R156-R160 PolarHBondContact O-NH1 3.39Å; F157-R160 CarbonylContact O-C 3.54Å; F157-R160 WeakPolarHBondContact O-CA 3.38Å; F157-R160 WeakPolarHBondContact O-CB 3.4Å; F157-R160 PolarHBondContact O-N 3.44Å; E158-R160 PolarHBondContact O-N 2.82Å; R160-E163 WeakPolarHBondContact O-CB 3.39Å; R160-E163 PolarHBondContact O-N 3.47Å; R160-W164 PolarHBondContact O-N 3.27Å |
| 161 | E | 98.1 | Very high | 98.4 | Very high | 102 Ų | 102 | 99.3 Ų | 99.3 | 48% | 0.477 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.5 | -49.4 | 171.6 | -72.6 | 158.4 | 177.9 | 0 | 0 | 108.9 | F157 E158 E163 W164 E165 | F157-E161 WeakPolarHBondContact O-CG 3.46Å; F157-E161 PolarHBondContact O-N 2.92Å; E158-E161 WeakPolarHBondContact CA-OE2 3.2Å; E158-E161 PolarHBondContact O-N 3.27Å; E161-E163 PolarHBondContact O-N 3.23Å; E161-W164 CarbonylContact O-C 3.54Å; E161-W164 WeakPolarHBondContact O-CA 3.24Å; E161-W164 PolarHBondContact O-N 2.86Å; E161-E165 WeakPolarHBondContact O-CG 3.4Å; E161-E165 PolarHBondContact O-N 3.32Å |
| 162 | G | 97.9 | Very high | 98.4 | Very high | 34 Ų | 34 | 99.3 Ų | 99.3 | 35% | 0.351 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.8 | -36.9 | 172 | 0 | 0 | 0 | 0 | 0 | 114.7 | E158 G166 | E158-G162 PolarHBondContact O-N 2.9Å; G162-G166 PolarHBondContact O-N 3.49Å |
| 163 | E | 98.6 | Very high | 98.4 | Very high | 97 Ų | 97 | 98 Ų | 98 | 45% | 0.453 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.5 | -35.9 | 171 | -71.8 | 177.5 | -152.5 | 0 | 0 | 112.8 | N159 R160 E161 R167 | N159-E163 WeakPolarHBondContact O-CG 3.38Å; N159-E163 PolarHBondContact O-N 3.12Å; R160-E163 WeakPolarHBondContact O-CB 3.39Å; R160-E163 PolarHBondContact O-N 3.47Å; E161-E163 PolarHBondContact O-N 3.23Å; E163-R167 WeakPolarHBondContact O-CG 3.35Å; E163-R167 PolarHBondContact O-N 2.84Å; E163-R167 VanDerWaalsContact O-N 3.07Å; E163-R167 IonicContact OE2-CZ 2.92Å; E163-R167 IonicContact OE2-NH1 3.74Å; E163-R167 PolarHBondContact OE2-NH1 2.96Å; E163-R167 IonicContact OE2-NH2 2.67Å; E163-R167 PolarHBondContact OE2-NH2 3.08Å |
| 164 | W | 98.3 | Very high | 98.4 | Very high | 160 Ų | 160 | 97.9 Ų | 97.9 | 61% | 0.606 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -74.7 | -40.4 | 177.3 | -74.6 | 120.4 | 0 | 0 | 0 | 111.9 | R160 E161 G166 R167 V168 | R160-W164 PolarHBondContact O-N 3.27Å; E161-W164 CarbonylContact O-C 3.54Å; E161-W164 WeakPolarHBondContact O-CA 3.24Å; E161-W164 PolarHBondContact O-N 2.86Å; W164-G166 VanDerWaalsContact C-N 3.27Å; W164-G166 PolarHBondContact O-N 2.88Å; W164-R167 HydrophobicContact CE3-CB 4.47Å; W164-R167 PolarHBondContact O-N 3.42Å; W164-V168 WeakPolarHBondContact O-CB 3.01Å; W164-V168 VanDerWaalsContact O-CG2 3.27Å; W164-V168 WeakPolarHBondContact O-CG2 3.49Å; W164-V168 PolarHBondContact O-N 3.39Å |
| 165 | E | 98.5 | Very high | 98.4 | Very high | 138 Ų | 138 | 96 Ų | 96 | 65% | 0.645 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -56.6 | -42.7 | 168.9 | -71.4 | 173.3 | 174.2 | 0 | 0 | 110.8 | E161 V168 S169 | E161-E165 WeakPolarHBondContact O-CG 3.4Å; E161-E165 PolarHBondContact O-N 3.32Å; E165-V168 PolarHBondContact O-N 3.38Å; E165-S169 WeakPolarHBondContact O-CB 3.49Å; E165-S169 PolarHBondContact O-N 2.7Å; E165-S169 PolarHBondContact O-OG 3.4Å |
| 166 | G | 98.4 | Very high | 98.4 | Very high | 26 Ų | 26 | 94.6 Ų | 94.6 | 27% | 0.268 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -53.9 | -59.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G162 W164 V168 S169 E170 | G162-G166 PolarHBondContact O-N 3.49Å; W164-G166 VanDerWaalsContact C-N 3.27Å; W164-G166 PolarHBondContact O-N 2.88Å; G166-V168 VanDerWaalsContact C-N 3.29Å; G166-V168 PolarHBondContact O-N 2.94Å; G166-S169 PolarHBondContact O-N 3.07Å; G166-S169 PolarHBondContact O-OG 2.67Å; G166-E170 WeakPolarHBondContact O-CG 3.47Å; G166-E170 PolarHBondContact O-N 2.85Å |
| 167 | R | 98.6 | Very high | 98.4 | Very high | 91 Ų | 91 | 94.1 Ų | 94.1 | 34% | 0.343 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.4 | -35.4 | 179.1 | -67.8 | 165.8 | -169 | 121.7 | 9.9 | 113.5 | E163 W164 L171 | E163-R167 WeakPolarHBondContact O-CG 3.35Å; E163-R167 PolarHBondContact O-N 2.84Å; E163-R167 VanDerWaalsContact O-N 3.07Å; E163-R167 IonicContact OE2-CZ 2.92Å; E163-R167 IonicContact OE2-NH1 3.74Å; E163-R167 PolarHBondContact OE2-NH1 2.96Å; E163-R167 IonicContact OE2-NH2 2.67Å; E163-R167 PolarHBondContact OE2-NH2 3.08Å; W164-R167 HydrophobicContact CE3-CB 4.47Å; W164-R167 PolarHBondContact O-N 3.42Å; R167-L171 WeakPolarHBondContact O-CB 3.3Å; R167-L171 VanDerWaalsContact O-CG 3.3Å; R167-L171 WeakPolarHBondContact O-CG 3.41Å; R167-L171 PolarHBondContact O-N 2.69Å |
| 168 | V | 98.6 | Very high | 98.4 | Very high | 78 Ų | 78 | 94.1 Ų | 94.1 | 47% | 0.473 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68 | -42.9 | 174.4 | 168.6 | 0 | 0 | 0 | 0 | 110.2 | W164 E165 G166 E170 L171 E172 | W164-V168 WeakPolarHBondContact O-CB 3.01Å; W164-V168 VanDerWaalsContact O-CG2 3.27Å; W164-V168 WeakPolarHBondContact O-CG2 3.49Å; W164-V168 PolarHBondContact O-N 3.39Å; E165-V168 PolarHBondContact O-N 3.38Å; G166-V168 VanDerWaalsContact C-N 3.29Å; G166-V168 PolarHBondContact O-N 2.94Å; V168-E170 PolarHBondContact O-N 2.95Å; V168-L171 PolarHBondContact O-N 3.07Å; V168-E172 HydrophobicContact CG1-CG 4.44Å; V168-E172 VanDerWaalsContact O-CB 3.27Å; V168-E172 WeakPolarHBondContact O-CB 3.38Å; V168-E172 WeakPolarHBondContact O-CG 3.48Å; V168-E172 PolarHBondContact O-N 2.67Å |
| 169 | S | 98.1 | Very high | 98.4 | Very high | 68 Ų | 68 | 94.6 Ų | 94.6 | 48% | 0.476 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.1 | -35.9 | 177.3 | 77.8 | 0 | 0 | 0 | 0 | 113 | E165 G166 S173 | E165-S169 WeakPolarHBondContact O-CB 3.49Å; E165-S169 PolarHBondContact O-N 2.7Å; E165-S169 PolarHBondContact O-OG 3.4Å; G166-S169 PolarHBondContact O-N 3.07Å; G166-S169 PolarHBondContact O-OG 2.67Å; S169-S173 WeakPolarHBondContact O-CB 3.46Å; S169-S173 PolarHBondContact O-N 3.36Å |
| 170 | E | 98.6 | Very high | 98.4 | Very high | 118 Ų | 118 | 93 Ų | 93 | 55% | 0.551 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.6 | -57.1 | 171.4 | -71 | 170.4 | 165.1 | 0 | 0 | 110.1 | G166 V168 E172 S173 D174 | G166-E170 WeakPolarHBondContact O-CG 3.47Å; G166-E170 PolarHBondContact O-N 2.85Å; V168-E170 PolarHBondContact O-N 2.95Å; E170-E172 VanDerWaalsContact C-N 3.33Å; E170-E172 PolarHBondContact O-N 3.3Å; E170-S173 CarbonylContact O-C 3.53Å; E170-S173 WeakPolarHBondContact O-CA 3.47Å; E170-S173 WeakPolarHBondContact O-CB 3.36Å; E170-S173 PolarHBondContact O-N 2.92Å; E170-S173 PolarHBondContact O-OG 3.27Å; E170-D174 PolarHBondContact O-N 2.9Å |
| 171 | L | 98.4 | Very high | 98.4 | Very high | 110 Ų | 110 | 91.9 Ų | 91.9 | 58% | 0.576 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.7 | -35.8 | 179.5 | -70.5 | 171.9 | 0 | 0 | 0 | 113.1 | R167 V168 S173 D174 V175 | R167-L171 WeakPolarHBondContact O-CB 3.3Å; R167-L171 VanDerWaalsContact O-CG 3.3Å; R167-L171 WeakPolarHBondContact O-CG 3.41Å; R167-L171 PolarHBondContact O-N 2.69Å; V168-L171 PolarHBondContact O-N 3.07Å; L171-S173 VanDerWaalsContact C-N 3.31Å; L171-D174 PolarHBondContact O-N 3.01Å; L171-V175 WeakPolarHBondContact O-CB 3.42Å; L171-V175 VanDerWaalsContact O-CG2 3.27Å; L171-V175 WeakPolarHBondContact O-CG2 3.27Å; L171-V175 PolarHBondContact O-N 2.89Å |
| 172 | E | 98.4 | Very high | 98.4 | Very high | 97 Ų | 97 | 91.4 Ų | 91.4 | 45% | 0.453 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 170.7 | -90 | -164.4 | -145.7 | 0 | 0 | 111.7 | V168 E170 K176 | V168-E172 HydrophobicContact CG1-CG 4.44Å; V168-E172 VanDerWaalsContact O-CB 3.27Å; V168-E172 WeakPolarHBondContact O-CB 3.38Å; V168-E172 WeakPolarHBondContact O-CG 3.48Å; V168-E172 PolarHBondContact O-N 2.67Å; E170-E172 VanDerWaalsContact C-N 3.33Å; E170-E172 PolarHBondContact O-N 3.3Å; E172-K176 WeakPolarHBondContact O-CB 3.41Å; E172-K176 WeakPolarHBondContact O-CD 3.2Å; E172-K176 WeakPolarHBondContact O-CE 3.34Å; E172-K176 WeakPolarHBondContact O-CG 3.45Å; E172-K176 PolarHBondContact O-N 3.25Å; E172-K176 IonicContact OE2-NZ 3.65Å; E172-K176 PolarHBondContact OE2-NZ 2.85Å |
| 173 | S | 98.6 | Very high | 98.4 | Very high | 51 Ų | 51 | 96.1 Ų | 96.1 | 36% | 0.357 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.5 | -37.4 | 177.3 | 84.3 | 0 | 0 | 0 | 0 | 111.7 | S169 E170 L171 K176 Q177 | S169-S173 WeakPolarHBondContact O-CB 3.46Å; S169-S173 PolarHBondContact O-N 3.36Å; E170-S173 CarbonylContact O-C 3.53Å; E170-S173 WeakPolarHBondContact O-CA 3.47Å; E170-S173 WeakPolarHBondContact O-CB 3.36Å; E170-S173 PolarHBondContact O-N 2.92Å; E170-S173 PolarHBondContact O-OG 3.27Å; L171-S173 VanDerWaalsContact C-N 3.31Å; S173-K176 PolarHBondContact O-N 2.87Å; S173-Q177 WeakPolarHBondContact O-CB 3.46Å; S173-Q177 VanDerWaalsContact O-CG 3.25Å; S173-Q177 WeakPolarHBondContact O-CG 3.4Å; S173-Q177 PolarHBondContact O-N 3.38Å; S173-Q177 PolarHBondContact O-NE2 3.47Å |
| 174 | D | 98.7 | Very high | 98.4 | Very high | 77 Ų | 77 | 97.6 Ų | 97.6 | 41% | 0.412 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.2 | -43.7 | 175.4 | -70.1 | -19.5 | 0 | 0 | 0 | 111.2 | E170 L171 K176 Q177 L178 | E170-D174 PolarHBondContact O-N 2.9Å; L171-D174 PolarHBondContact O-N 3.01Å; D174-K176 VanDerWaalsContact C-N 3.33Å; D174-K176 PolarHBondContact O-N 3.42Å; D174-Q177 PolarHBondContact O-N 3.49Å; D174-Q177 PolarHBondContact OD1-NE2 3.11Å; D174-L178 WeakPolarHBondContact O-CB 3.29Å; D174-L178 VanDerWaalsContact O-CG 3.28Å; D174-L178 WeakPolarHBondContact O-CG 3.35Å; D174-L178 PolarHBondContact O-N 2.89Å |
| 175 | V | 98.5 | Very high | 98.4 | Very high | 77 Ų | 77 | 95.4 Ų | 95.4 | 47% | 0.467 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 174.6 | 166.7 | 0 | 0 | 0 | 0 | 111 | L171 L178 Q179 | L171-V175 WeakPolarHBondContact O-CB 3.42Å; L171-V175 VanDerWaalsContact O-CG2 3.27Å; L171-V175 WeakPolarHBondContact O-CG2 3.27Å; L171-V175 PolarHBondContact O-N 2.89Å; V175-L178 PolarHBondContact O-N 2.96Å; V175-Q179 WeakPolarHBondContact O-CB 3.34Å; V175-Q179 WeakPolarHBondContact O-CG 3.44Å; V175-Q179 PolarHBondContact O-N 2.95Å |
| 176 | K | 98.3 | Very high | 98.4 | Very high | 108 Ų | 108 | 92.1 Ų | 92.1 | 47% | 0.47 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 175.9 | -69.9 | 158.5 | -159.9 | 167.3 | 0 | 111.2 | E172 S173 D174 Q179 D180 | E172-K176 WeakPolarHBondContact O-CB 3.41Å; E172-K176 WeakPolarHBondContact O-CD 3.2Å; E172-K176 WeakPolarHBondContact O-CE 3.34Å; E172-K176 WeakPolarHBondContact O-CG 3.45Å; E172-K176 PolarHBondContact O-N 3.25Å; E172-K176 IonicContact OE2-NZ 3.65Å; E172-K176 PolarHBondContact OE2-NZ 2.85Å; S173-K176 PolarHBondContact O-N 2.87Å; D174-K176 VanDerWaalsContact C-N 3.33Å; D174-K176 PolarHBondContact O-N 3.42Å; K176-Q179 PolarHBondContact O-N 3.02Å; K176-D180 VanDerWaalsContact O-CB 3.31Å; K176-D180 WeakPolarHBondContact O-CB 3.35Å; K176-D180 PolarHBondContact O-N 2.92Å |
| 177 | Q | 98.5 | Very high | 98.3 | Very high | 102 Ų | 102 | 94 Ų | 94 | 48% | 0.477 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 175.9 | -75.9 | 169.4 | 92.7 | 0 | 0 | 112.4 | S173 D174 Q179 D180 E181 | S173-Q177 WeakPolarHBondContact O-CB 3.46Å; S173-Q177 VanDerWaalsContact O-CG 3.25Å; S173-Q177 WeakPolarHBondContact O-CG 3.4Å; S173-Q177 PolarHBondContact O-N 3.38Å; S173-Q177 PolarHBondContact O-NE2 3.47Å; D174-Q177 PolarHBondContact O-N 3.49Å; D174-Q177 PolarHBondContact OD1-NE2 3.11Å; Q177-Q179 PolarHBondContact O-N 3.41Å; Q177-D180 WeakPolarHBondContact O-CB 3.18Å; Q177-D180 PolarHBondContact O-N 2.98Å; Q177-E181 WeakPolarHBondContact O-CB 3.48Å; Q177-E181 WeakPolarHBondContact O-CG 3.44Å; Q177-E181 PolarHBondContact O-N 2.94Å |
| 178 | L | 98.1 | Very high | 98.3 | Very high | 111 Ų | 111 | 95.3 Ų | 95.3 | 58% | 0.581 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.4 | -34.4 | 179.4 | -70.7 | 170.3 | 0 | 0 | 0 | 112.6 | D174 V175 L182 | D174-L178 WeakPolarHBondContact O-CB 3.29Å; D174-L178 VanDerWaalsContact O-CG 3.28Å; D174-L178 WeakPolarHBondContact O-CG 3.35Å; D174-L178 PolarHBondContact O-N 2.89Å; V175-L178 PolarHBondContact O-N 2.96Å; L178-L182 WeakPolarHBondContact O-CB 3.21Å; L178-L182 PolarHBondContact O-N 3.25Å |
| 179 | Q | 98.3 | Very high | 98.3 | Very high | 113 Ų | 113 | 96.6 Ų | 96.6 | 53% | 0.528 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -50.7 | 171.1 | -74.9 | 168.8 | -0.3 | 0 | 0 | 110.9 | V175 K176 Q177 E181 L182 E183 | V175-Q179 WeakPolarHBondContact O-CB 3.34Å; V175-Q179 WeakPolarHBondContact O-CG 3.44Å; V175-Q179 PolarHBondContact O-N 2.95Å; K176-Q179 PolarHBondContact O-N 3.02Å; Q177-Q179 PolarHBondContact O-N 3.41Å; Q179-E181 PolarHBondContact O-N 3.02Å; Q179-L182 PolarHBondContact O-N 3.2Å; Q179-E183 PolarHBondContact O-N 2.93Å |
| 180 | D | 98.5 | Very high | 98.3 | Very high | 79 Ų | 79 | 99.1 Ų | 99.1 | 42% | 0.422 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -55.3 | -45.1 | 175.9 | -107.3 | 16.7 | 0 | 0 | 0 | 112.7 | K176 Q177 R184 | K176-D180 VanDerWaalsContact O-CB 3.31Å; K176-D180 WeakPolarHBondContact O-CB 3.35Å; K176-D180 PolarHBondContact O-N 2.92Å; Q177-D180 WeakPolarHBondContact O-CB 3.18Å; Q177-D180 PolarHBondContact O-N 2.98Å; D180-R184 WeakPolarHBondContact O-CD 3.48Å; D180-R184 WeakPolarHBondContact O-CG 3.48Å; D180-R184 PolarHBondContact O-N 2.83Å; D180-R184 IonicContact OD1-NH2 2.78Å; D180-R184 IonicContact OD2-CZ 2.59Å; D180-R184 IonicContact OD2-NH1 2.74Å; D180-R184 IonicContact OD2-NH2 2.75Å; D180-R184 PolarHBondContact OD2-NH2 2.83Å |
| 181 | E | 98.5 | Very high | 98.3 | Very high | 93 Ų | 93 | 96.4 Ų | 96.4 | 44% | 0.435 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.6 | -42.1 | 177.5 | -75.9 | -172.4 | 173.5 | 0 | 0 | 112.3 | Q177 Q179 E183 R184 Q185 | Q177-E181 WeakPolarHBondContact O-CB 3.48Å; Q177-E181 WeakPolarHBondContact O-CG 3.44Å; Q177-E181 PolarHBondContact O-N 2.94Å; Q179-E181 PolarHBondContact O-N 3.02Å; E181-E183 VanDerWaalsContact C-N 3.34Å; E181-E183 PolarHBondContact O-N 3.24Å; E181-R184 PolarHBondContact O-N 3.31Å; E181-Q185 WeakPolarHBondContact O-CB 3.31Å; E181-Q185 VanDerWaalsContact O-CG 3.27Å; E181-Q185 WeakPolarHBondContact O-CG 3.27Å; E181-Q185 PolarHBondContact O-N 2.97Å |
| 182 | L | 98.1 | Very high | 98.3 | Very high | 92 Ų | 92 | 92.8 Ų | 92.8 | 48% | 0.482 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 174.9 | 177.5 | 61.3 | 0 | 0 | 0 | 111.1 | L178 Q179 Q185 Q186 | L178-L182 WeakPolarHBondContact O-CB 3.21Å; L178-L182 PolarHBondContact O-N 3.25Å; Q179-L182 PolarHBondContact O-N 3.2Å; L182-Q185 PolarHBondContact O-N 3.37Å; L182-Q186 HydrophobicContact CD1-CG 4.26Å; L182-Q186 WeakPolarHBondContact O-CB 3.28Å; L182-Q186 VanDerWaalsContact O-CG 3.24Å; L182-Q186 WeakPolarHBondContact O-CG 3.45Å; L182-Q186 PolarHBondContact O-N 3.37Å |
| 183 | E | 98.3 | Very high | 98.3 | Very high | 132 Ų | 132 | 91.9 Ų | 91.9 | 62% | 0.617 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.3 | -46.4 | 174.7 | -74.9 | -161.9 | -177.4 | 0 | 0 | 111.9 | Q179 E181 Q185 Q186 V187 | Q179-E183 PolarHBondContact O-N 2.93Å; E181-E183 VanDerWaalsContact C-N 3.34Å; E181-E183 PolarHBondContact O-N 3.24Å; E183-Q185 PolarHBondContact O-N 3.39Å; E183-Q186 PolarHBondContact O-N 2.75Å; E183-V187 WeakPolarHBondContact O-CG2 3.5Å; E183-V187 PolarHBondContact O-N 2.73Å |
| 184 | R | 98.4 | Very high | 98.3 | Very high | 129 Ų | 129 | 95.2 Ų | 95.2 | 49% | 0.487 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.4 | -48.3 | 176.1 | -71.6 | 162.8 | -168.6 | 138.1 | 14.9 | 111.8 | D180 E181 Q186 V187 H188 | D180-R184 WeakPolarHBondContact O-CD 3.48Å; D180-R184 WeakPolarHBondContact O-CG 3.48Å; D180-R184 PolarHBondContact O-N 2.83Å; D180-R184 IonicContact OD1-NH2 2.78Å; D180-R184 IonicContact OD2-CZ 2.59Å; D180-R184 IonicContact OD2-NH1 2.74Å; D180-R184 IonicContact OD2-NH2 2.75Å; D180-R184 PolarHBondContact OD2-NH2 2.83Å; E181-R184 PolarHBondContact O-N 3.31Å; R184-Q186 PolarHBondContact O-N 3.17Å; R184-V187 PolarHBondContact O-N 2.97Å; R184-H188 PolarHBondContact O-CD2 3.4Å; R184-H188 VanDerWaalsContact O-CD2 3.3Å; R184-H188 PolarHBondContact O-N 3.31Å |
| 185 | Q | 98 | Very high | 98.3 | Very high | 113 Ų | 113 | 97.2 Ų | 97.2 | 53% | 0.528 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 177.5 | -71.7 | 175.7 | 27.7 | 0 | 0 | 111.5 | E181 L182 E183 V187 H188 L189 | E181-Q185 WeakPolarHBondContact O-CB 3.31Å; E181-Q185 VanDerWaalsContact O-CG 3.27Å; E181-Q185 WeakPolarHBondContact O-CG 3.27Å; E181-Q185 PolarHBondContact O-N 2.97Å; L182-Q185 PolarHBondContact O-N 3.37Å; E183-Q185 PolarHBondContact O-N 3.39Å; Q185-V187 VanDerWaalsContact C-N 3.34Å; Q185-V187 PolarHBondContact O-N 3.02Å; Q185-H188 PolarHBondContact O-N 3.47Å; Q185-L189 WeakPolarHBondContact O-CB 3.36Å; Q185-L189 VanDerWaalsContact O-CG 3.32Å; Q185-L189 WeakPolarHBondContact O-CG 3.47Å; Q185-L189 PolarHBondContact O-N 3.38Å |
| 186 | Q | 97.7 | Very high | 98.3 | Very high | 70 Ų | 70 | 99.2 Ų | 99.2 | 33% | 0.327 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.3 | -36.1 | 176.5 | -71 | -180 | 31.3 | 0 | 0 | 112.9 | L182 E183 R184 R190 | L182-Q186 HydrophobicContact CD1-CG 4.26Å; L182-Q186 WeakPolarHBondContact O-CB 3.28Å; L182-Q186 VanDerWaalsContact O-CG 3.24Å; L182-Q186 WeakPolarHBondContact O-CG 3.45Å; L182-Q186 PolarHBondContact O-N 3.37Å; E183-Q186 PolarHBondContact O-N 2.75Å; R184-Q186 PolarHBondContact O-N 3.17Å; Q186-R190 WeakPolarHBondContact O-CB 3.45Å; Q186-R190 WeakPolarHBondContact O-CD 3.34Å; Q186-R190 WeakPolarHBondContact O-CG 3.44Å; Q186-R190 PolarHBondContact O-N 2.89Å; Q186-R190 VanDerWaalsContact O-N 3.14Å |
| 187 | V | 98.2 | Very high | 98.2 | Very high | 64 Ų | 64 | 97.8 Ų | 97.8 | 39% | 0.388 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.3 | -49.5 | 174.6 | 168.4 | 0 | 0 | 0 | 0 | 110.2 | E183 R184 Q185 L189 R190 E191 | E183-V187 WeakPolarHBondContact O-CG2 3.5Å; E183-V187 PolarHBondContact O-N 2.73Å; R184-V187 PolarHBondContact O-N 2.97Å; Q185-V187 VanDerWaalsContact C-N 3.34Å; Q185-V187 PolarHBondContact O-N 3.02Å; V187-L189 PolarHBondContact O-N 2.73Å; V187-R190 CarbonylContact O-C 3.57Å; V187-R190 PolarHBondContact O-N 3.01Å; V187-E191 HydrophobicContact CG1-CG 4.35Å; V187-E191 WeakPolarHBondContact O-CG 3.38Å; V187-E191 PolarHBondContact O-N 2.9Å |
| 188 | H | 98.4 | Very high | 98.2 | Very high | 119 Ų | 119 | 98.5 Ų | 98.5 | 55% | 0.551 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.7 | -37.3 | 179.3 | -68.9 | -34.7 | 0 | 0 | 0 | 113.4 | R184 Q185 E191 A192 | R184-H188 PolarHBondContact O-CD2 3.4Å; R184-H188 VanDerWaalsContact O-CD2 3.3Å; R184-H188 PolarHBondContact O-N 3.31Å; Q185-H188 PolarHBondContact O-N 3.47Å; H188-E191 IonicContact CE1-OE2 3.77Å; H188-E191 IonicContact ND1-OE2 2.69Å; H188-E191 PolarHBondContact ND1-OE2 3.05Å; H188-E191 VanDerWaalsContact ND1-OE2 3.16Å; H188-E191 PolarHBondContact O-N 3.16Å; H188-A192 WeakPolarHBondContact O-CB 3.43Å; H188-A192 PolarHBondContact O-N 3.38Å |
| 189 | L | 98.1 | Very high | 98.2 | Very high | 105 Ų | 105 | 95.3 Ų | 95.3 | 55% | 0.55 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | 172.2 | -72.9 | 171.1 | 0 | 0 | 0 | 111.2 | Q185 V187 E191 A192 D193 | Q185-L189 WeakPolarHBondContact O-CB 3.36Å; Q185-L189 VanDerWaalsContact O-CG 3.32Å; Q185-L189 WeakPolarHBondContact O-CG 3.47Å; Q185-L189 PolarHBondContact O-N 3.38Å; V187-L189 PolarHBondContact O-N 2.73Å; L189-E191 VanDerWaalsContact C-N 3.26Å; L189-E191 PolarHBondContact O-N 3.19Å; L189-A192 PolarHBondContact O-N 3.21Å; L189-D193 WeakPolarHBondContact O-CB 3.29Å; L189-D193 VanDerWaalsContact O-CG 3.31Å; L189-D193 PolarHBondContact O-N 3.2Å |
| 190 | R | 98.1 | Very high | 98.3 | Very high | 121 Ų | 121 | 94.6 Ų | 94.6 | 46% | 0.457 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.8 | -27.3 | 175.1 | -66.8 | 166.9 | -172.3 | 129.4 | 4.4 | 112.8 | Q186 V187 R194 | Q186-R190 WeakPolarHBondContact O-CB 3.45Å; Q186-R190 WeakPolarHBondContact O-CD 3.34Å; Q186-R190 WeakPolarHBondContact O-CG 3.44Å; Q186-R190 PolarHBondContact O-N 2.89Å; Q186-R190 VanDerWaalsContact O-N 3.14Å; V187-R190 CarbonylContact O-C 3.57Å; V187-R190 PolarHBondContact O-N 3.01Å; R190-R194 VanDerWaalsContact O-CD 3.32Å; R190-R194 WeakPolarHBondContact O-CD 3.47Å; R190-R194 WeakPolarHBondContact O-CG 3.4Å; R190-R194 PolarHBondContact O-N 3.44Å; R190-R194 PolarHBondContact O-NE 3.15Å; R190-R194 PolarHBondContact O-NH1 3.32Å |
| 191 | E | 98.4 | Very high | 98.3 | Very high | 62 Ų | 62 | 96.2 Ų | 96.2 | 29% | 0.29 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -74.9 | -48.3 | 174 | -73.3 | 172.6 | 153.3 | 0 | 0 | 110.9 | V187 H188 L189 D193 R194 E195 | V187-E191 HydrophobicContact CG1-CG 4.35Å; V187-E191 WeakPolarHBondContact O-CG 3.38Å; V187-E191 PolarHBondContact O-N 2.9Å; H188-E191 IonicContact CE1-OE2 3.77Å; H188-E191 IonicContact ND1-OE2 2.69Å; H188-E191 PolarHBondContact ND1-OE2 3.05Å; H188-E191 VanDerWaalsContact ND1-OE2 3.16Å; H188-E191 PolarHBondContact O-N 3.16Å; L189-E191 VanDerWaalsContact C-N 3.26Å; L189-E191 PolarHBondContact O-N 3.19Å; E191-D193 VanDerWaalsContact C-N 3.3Å; E191-D193 PolarHBondContact O-N 3.29Å; E191-R194 WeakPolarHBondContact O-CA 3.24Å; E191-R194 WeakPolarHBondContact O-CB 3.48Å; E191-R194 PolarHBondContact O-N 3.37Å; E191-R194 VanDerWaalsContact O-N 3.09Å; E191-E195 WeakPolarHBondContact O-CG 3.49Å; E191-E195 PolarHBondContact O-N 3.39Å |
| 192 | A | 97.8 | Very high | 98.3 | Very high | 33 Ų | 33 | 96.9 Ų | 96.9 | 27% | 0.273 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.7 | -37.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | H188 L189 E195 K196 | H188-A192 WeakPolarHBondContact O-CB 3.43Å; H188-A192 PolarHBondContact O-N 3.38Å; L189-A192 PolarHBondContact O-N 3.21Å; A192-E195 PolarHBondContact O-N 3.42Å; A192-K196 VanDerWaalsContact O-CG 3.26Å; A192-K196 WeakPolarHBondContact O-CG 3Å; A192-K196 PolarHBondContact O-N 3.1Å |
| 193 | D | 98.4 | Very high | 98.3 | Very high | 79 Ų | 79 | 97.2 Ų | 97.2 | 42% | 0.422 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.6 | -31 | 176 | -69.4 | -25.6 | 0 | 0 | 0 | 112.8 | L189 E191 E195 K196 T197 | L189-D193 WeakPolarHBondContact O-CB 3.29Å; L189-D193 VanDerWaalsContact O-CG 3.31Å; L189-D193 PolarHBondContact O-N 3.2Å; E191-D193 VanDerWaalsContact C-N 3.3Å; E191-D193 PolarHBondContact O-N 3.29Å; D193-E195 VanDerWaalsContact C-N 3.34Å; D193-K196 WeakPolarHBondContact OD1-CD 3.42Å; D193-K196 WeakPolarHBondContact OD1-CE 3.36Å; D193-K196 IonicContact OD1-NZ 3.21Å; D193-K196 PolarHBondContact OD1-NZ 3.28Å; D193-T197 WeakPolarHBondContact O-CB 3.26Å; D193-T197 WeakPolarHBondContact O-CG2 3.3Å; D193-T197 PolarHBondContact O-N 3.41Å; D193-T197 PolarHBondContact O-OG1 3.32Å |
| 194 | R | 98.5 | Very high | 98.2 | Very high | 121 Ų | 121 | 93.2 Ų | 93.2 | 46% | 0.457 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.3 | -33.2 | 168.1 | -69.2 | 166.9 | -164.4 | 124.4 | -11.6 | 111.8 | R190 E191 T197 R198 | R190-R194 VanDerWaalsContact O-CD 3.32Å; R190-R194 WeakPolarHBondContact O-CD 3.47Å; R190-R194 WeakPolarHBondContact O-CG 3.4Å; R190-R194 PolarHBondContact O-N 3.44Å; R190-R194 PolarHBondContact O-NE 3.15Å; R190-R194 PolarHBondContact O-NH1 3.32Å; E191-R194 WeakPolarHBondContact O-CA 3.24Å; E191-R194 WeakPolarHBondContact O-CB 3.48Å; E191-R194 PolarHBondContact O-N 3.37Å; E191-R194 VanDerWaalsContact O-N 3.09Å; R194-T197 VanDerWaalsContact CA-OG1 3.31Å; R194-T197 WeakPolarHBondContact CA-OG1 3.49Å; R194-T197 PolarHBondContact O-OG1 3.16Å; R194-R198 WeakPolarHBondContact O-CD 3.16Å; R194-R198 WeakPolarHBondContact O-CG 3.24Å; R194-R198 PolarHBondContact O-N 3.44Å; R194-R198 VanDerWaalsContact O-N 3.08Å |
| 195 | E | 98.4 | Very high | 98.2 | Very high | 119 Ų | 119 | 91 Ų | 91 | 56% | 0.556 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -73.5 | -43.7 | 176 | -71.2 | 170.4 | -176.2 | 0 | 0 | 112 | E191 A192 D193 T197 R198 A199 | E191-E195 WeakPolarHBondContact O-CG 3.49Å; E191-E195 PolarHBondContact O-N 3.39Å; A192-E195 PolarHBondContact O-N 3.42Å; D193-E195 VanDerWaalsContact C-N 3.34Å; E195-T197 VanDerWaalsContact C-N 3.33Å; E195-T197 PolarHBondContact O-N 3.4Å; E195-R198 VanDerWaalsContact CG-NH1 3.28Å; E195-R198 PolarHBondContact O-N 2.69Å; E195-A199 WeakPolarHBondContact O-CB 3.4Å; E195-A199 PolarHBondContact O-N 2.77Å |
| 196 | K | 98.4 | Very high | 98.3 | Very high | 119 Ų | 119 | 90.2 Ų | 90.2 | 52% | 0.517 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -56.2 | -46.6 | 170.9 | -69 | 167.2 | -155.3 | 165.2 | 0 | 111.4 | A192 D193 A199 V200 | A192-K196 VanDerWaalsContact O-CG 3.26Å; A192-K196 WeakPolarHBondContact O-CG 3Å; A192-K196 PolarHBondContact O-N 3.1Å; D193-K196 WeakPolarHBondContact OD1-CD 3.42Å; D193-K196 WeakPolarHBondContact OD1-CE 3.36Å; D193-K196 IonicContact OD1-NZ 3.21Å; D193-K196 PolarHBondContact OD1-NZ 3.28Å; K196-A199 PolarHBondContact O-N 3.43Å; K196-V200 WeakPolarHBondContact O-CB 3.34Å; K196-V200 VanDerWaalsContact O-CG2 3.29Å; K196-V200 WeakPolarHBondContact O-CG2 3.44Å; K196-V200 PolarHBondContact O-N 3.48Å |
| 197 | T | 98.2 | Very high | 98.3 | Very high | 77 Ų | 77 | 91.4 Ų | 91.4 | 47% | 0.472 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.1 | -37.4 | -179.2 | 44 | 0 | 0 | 0 | 0 | 112.8 | D193 R194 E195 V200 Q201 | D193-T197 WeakPolarHBondContact O-CB 3.26Å; D193-T197 WeakPolarHBondContact O-CG2 3.3Å; D193-T197 PolarHBondContact O-N 3.41Å; D193-T197 PolarHBondContact O-OG1 3.32Å; R194-T197 VanDerWaalsContact CA-OG1 3.31Å; R194-T197 WeakPolarHBondContact CA-OG1 3.49Å; R194-T197 PolarHBondContact O-OG1 3.16Å; E195-T197 VanDerWaalsContact C-N 3.33Å; E195-T197 PolarHBondContact O-N 3.4Å; T197-V200 PolarHBondContact O-N 3.48Å; T197-Q201 WeakPolarHBondContact O-CB 3.5Å; T197-Q201 WeakPolarHBondContact O-CG 3.3Å; T197-Q201 PolarHBondContact O-N 3.4Å |
| 198 | R | 98.6 | Very high | 98.3 | Very high | 118 Ų | 118 | 94.2 Ų | 94.2 | 45% | 0.445 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.9 | -49.5 | 169.3 | -70.9 | 167.4 | -159.2 | 133 | -2.9 | 111.9 | R194 E195 V200 Q201 E202 | R194-R198 WeakPolarHBondContact O-CD 3.16Å; R194-R198 WeakPolarHBondContact O-CG 3.24Å; R194-R198 PolarHBondContact O-N 3.44Å; R194-R198 VanDerWaalsContact O-N 3.08Å; E195-R198 VanDerWaalsContact CG-NH1 3.28Å; E195-R198 PolarHBondContact O-N 2.69Å; R198-V200 VanDerWaalsContact C-N 3.31Å; R198-V200 PolarHBondContact O-N 3.2Å; R198-Q201 WeakPolarHBondContact O-CB 3.5Å; R198-Q201 PolarHBondContact O-N 3.15Å; R198-Q201 VanDerWaalsContact O-N 3.11Å; R198-E202 WeakPolarHBondContact O-CG 3.31Å; R198-E202 PolarHBondContact O-N 3.36Å |
| 199 | A | 98.1 | Very high | 98.3 | Very high | 43 Ų | 43 | 94.7 Ų | 94.7 | 36% | 0.355 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E195 K196 L203 | E195-A199 WeakPolarHBondContact O-CB 3.4Å; E195-A199 PolarHBondContact O-N 2.77Å; K196-A199 PolarHBondContact O-N 3.43Å; A199-L203 WeakPolarHBondContact O-CB 3.31Å; A199-L203 VanDerWaalsContact O-CG 3.23Å; A199-L203 WeakPolarHBondContact O-CG 3.33Å; A199-L203 PolarHBondContact O-N 3.5Å |
| 200 | V | 98.6 | Very high | 98.3 | Very high | 98 Ų | 98 | 94 Ų | 94 | 59% | 0.594 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -66.3 | -40.3 | 173.7 | 168.5 | 0 | 0 | 0 | 0 | 111.6 | K196 T197 R198 S204 | K196-V200 WeakPolarHBondContact O-CB 3.34Å; K196-V200 VanDerWaalsContact O-CG2 3.29Å; K196-V200 WeakPolarHBondContact O-CG2 3.44Å; K196-V200 PolarHBondContact O-N 3.48Å; T197-V200 PolarHBondContact O-N 3.48Å; R198-V200 VanDerWaalsContact C-N 3.31Å; R198-V200 PolarHBondContact O-N 3.2Å; V200-S204 VanDerWaalsContact O-CB 3.27Å; V200-S204 WeakPolarHBondContact O-CB 3.3Å; V200-S204 PolarHBondContact O-N 3.12Å; V200-S204 PolarHBondContact O-OG 2.9Å |
| 201 | Q | 98.4 | Very high | 98.3 | Very high | 113 Ų | 113 | 93.6 Ų | 93.6 | 53% | 0.528 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.8 | -55.9 | 172.9 | -76.1 | 164.6 | -8.3 | 0 | 0 | 110.7 | T197 R198 L203 S204 E205 | T197-Q201 WeakPolarHBondContact O-CB 3.5Å; T197-Q201 WeakPolarHBondContact O-CG 3.3Å; T197-Q201 PolarHBondContact O-N 3.4Å; R198-Q201 WeakPolarHBondContact O-CB 3.5Å; R198-Q201 PolarHBondContact O-N 3.15Å; R198-Q201 VanDerWaalsContact O-N 3.11Å; Q201-L203 VanDerWaalsContact C-N 3.34Å; Q201-L203 PolarHBondContact O-N 3.31Å; Q201-S204 PolarHBondContact O-N 3.12Å; Q201-S204 PolarHBondContact O-OG 3.38Å; Q201-E205 WeakPolarHBondContact O-CG 3.41Å; Q201-E205 PolarHBondContact O-N 3.35Å |
| 202 | E | 98.6 | Very high | 98.3 | Very high | 108 Ų | 108 | 94.3 Ų | 94.3 | 51% | 0.505 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -53.9 | -46.2 | 178.7 | -71.5 | 169.6 | -151.5 | 0 | 0 | 112.4 | R198 E205 Q206 | R198-E202 WeakPolarHBondContact O-CG 3.31Å; R198-E202 PolarHBondContact O-N 3.36Å; E202-E205 PolarHBondContact O-N 3.05Å; E202-Q206 WeakPolarHBondContact O-CB 3.43Å; E202-Q206 WeakPolarHBondContact O-CG 3.4Å; E202-Q206 PolarHBondContact O-N 3.04Å |
| 203 | L | 98.5 | Very high | 98.4 | Very high | 98 Ų | 98 | 98.3 Ų | 98.3 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 175.7 | -71.4 | 170.3 | 0 | 0 | 0 | 112.2 | A199 Q201 Q206 N207 | A199-L203 WeakPolarHBondContact O-CB 3.31Å; A199-L203 VanDerWaalsContact O-CG 3.23Å; A199-L203 WeakPolarHBondContact O-CG 3.33Å; A199-L203 PolarHBondContact O-N 3.5Å; Q201-L203 VanDerWaalsContact C-N 3.34Å; Q201-L203 PolarHBondContact O-N 3.31Å; L203-Q206 PolarHBondContact O-N 2.8Å; L203-N207 WeakPolarHBondContact O-CB 3.43Å; L203-N207 VanDerWaalsContact O-CG 3.32Å; L203-N207 PolarHBondContact O-N 2.9Å; L203-N207 PolarHBondContact O-ND2 2.93Å; L203-N207 VanDerWaalsContact O-ND2 3.07Å |
| 204 | S | 97 | Very high | 98.4 | Very high | 49 Ų | 49 | 100.1 Ų | 100.1 | 34% | 0.343 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 176.6 | 76.1 | 0 | 0 | 0 | 0 | 112.1 | V200 Q201 N207 Q208 | V200-S204 VanDerWaalsContact O-CB 3.27Å; V200-S204 WeakPolarHBondContact O-CB 3.3Å; V200-S204 PolarHBondContact O-N 3.12Å; V200-S204 PolarHBondContact O-OG 2.9Å; Q201-S204 PolarHBondContact O-N 3.12Å; Q201-S204 PolarHBondContact O-OG 3.38Å; S204-N207 PolarHBondContact O-N 3.42Å; S204-Q208 WeakPolarHBondContact O-CB 3.36Å; S204-Q208 VanDerWaalsContact O-CG 3.31Å; S204-Q208 WeakPolarHBondContact O-CG 3.32Å; S204-Q208 PolarHBondContact O-N 3.01Å |
| 205 | E | 98.6 | Very high | 98.3 | Very high | 82 Ų | 82 | 96.7 Ų | 96.7 | 38% | 0.383 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.2 | -38.9 | 175.4 | -65 | -178.8 | 173.7 | 0 | 0 | 111.8 | Q201 E202 Q208 R209 | Q201-E205 WeakPolarHBondContact O-CG 3.41Å; Q201-E205 PolarHBondContact O-N 3.35Å; E202-E205 PolarHBondContact O-N 3.05Å; E205-Q208 PolarHBondContact O-N 2.87Å; E205-R209 WeakPolarHBondContact O-CB 3.12Å; E205-R209 WeakPolarHBondContact O-CD 3.35Å; E205-R209 WeakPolarHBondContact O-CG 3.45Å; E205-R209 PolarHBondContact O-N 2.92Å; E205-R209 IonicContact OE2-CZ 2.65Å; E205-R209 IonicContact OE2-NH1 2.71Å; E205-R209 PolarHBondContact OE2-NH1 3.49Å; E205-R209 IonicContact OE2-NH2 3.4Å; E205-R209 PolarHBondContact OE2-NH2 3.1Å |
| 206 | Q | 98.5 | Very high | 98.3 | Very high | 96 Ų | 96 | 97.4 Ų | 97.4 | 45% | 0.449 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 173.6 | -75.1 | 169.8 | 35 | 0 | 0 | 110.8 | E202 L203 R209 L210 | E202-Q206 WeakPolarHBondContact O-CB 3.43Å; E202-Q206 WeakPolarHBondContact O-CG 3.4Å; E202-Q206 PolarHBondContact O-N 3.04Å; L203-Q206 PolarHBondContact O-N 2.8Å; Q206-R209 PolarHBondContact O-N 2.97Å; Q206-L210 WeakPolarHBondContact O-CG 3.11Å; Q206-L210 PolarHBondContact O-N 2.91Å |
| 207 | N | 98.1 | Very high | 98.3 | Very high | 96 Ų | 96 | 94 Ų | 94 | 51% | 0.513 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 175.2 | -73.7 | -38.4 | 0 | 0 | 0 | 112.1 | L203 S204 L210 L211 | L203-N207 WeakPolarHBondContact O-CB 3.43Å; L203-N207 VanDerWaalsContact O-CG 3.32Å; L203-N207 PolarHBondContact O-N 2.9Å; L203-N207 PolarHBondContact O-ND2 2.93Å; L203-N207 VanDerWaalsContact O-ND2 3.07Å; S204-N207 PolarHBondContact O-N 3.42Å; N207-L210 PolarHBondContact O-N 3.48Å; N207-L211 VanDerWaalsContact O-CG 3.3Å; N207-L211 WeakPolarHBondContact O-CG 3.5Å; N207-L211 PolarHBondContact O-N 3Å |
| 208 | Q | 98.3 | Very high | 98.3 | Very high | 122 Ų | 122 | 93.3 Ų | 93.3 | 57% | 0.57 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.9 | -45.7 | 173.6 | -74.4 | 171.7 | 7 | 0 | 0 | 111.8 | S204 E205 L210 L211 D212 | S204-Q208 WeakPolarHBondContact O-CB 3.36Å; S204-Q208 VanDerWaalsContact O-CG 3.31Å; S204-Q208 WeakPolarHBondContact O-CG 3.32Å; S204-Q208 PolarHBondContact O-N 3.01Å; E205-Q208 PolarHBondContact O-N 2.87Å; Q208-L210 VanDerWaalsContact C-N 3.29Å; Q208-L210 PolarHBondContact O-N 3.41Å; Q208-L211 PolarHBondContact O-N 3.34Å; Q208-D212 WeakPolarHBondContact O-CB 3.36Å; Q208-D212 PolarHBondContact O-N 3.07Å |
| 209 | R | 98.6 | Very high | 98.3 | Very high | 130 Ų | 130 | 92.6 Ų | 92.6 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.8 | -36.4 | 176.2 | -72.3 | 163.1 | -176.5 | 129.2 | 8.6 | 112.5 | E205 Q206 D212 Q213 | E205-R209 WeakPolarHBondContact O-CB 3.12Å; E205-R209 WeakPolarHBondContact O-CD 3.35Å; E205-R209 WeakPolarHBondContact O-CG 3.45Å; E205-R209 PolarHBondContact O-N 2.92Å; E205-R209 IonicContact OE2-CZ 2.65Å; E205-R209 IonicContact OE2-NH1 2.71Å; E205-R209 PolarHBondContact OE2-NH1 3.49Å; E205-R209 IonicContact OE2-NH2 3.4Å; E205-R209 PolarHBondContact OE2-NH2 3.1Å; Q206-R209 PolarHBondContact O-N 2.97Å; R209-D212 WeakPolarHBondContact O-CB 3.37Å; R209-Q213 VanDerWaalsContact O-CG 3.28Å; R209-Q213 WeakPolarHBondContact O-CG 3.41Å; R209-Q213 PolarHBondContact O-N 3.28Å; R209-Q213 VanDerWaalsContact O-N 3.14Å |
| 210 | L | 98.4 | Very high | 98.3 | Very high | 90 Ų | 90 | 94 Ų | 94 | 47% | 0.471 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -73.3 | -41.7 | 175.8 | -70.7 | 170.8 | 0 | 0 | 0 | 112.1 | Q206 N207 Q208 D212 Q213 L214 | Q206-L210 WeakPolarHBondContact O-CG 3.11Å; Q206-L210 PolarHBondContact O-N 2.91Å; N207-L210 PolarHBondContact O-N 3.48Å; Q208-L210 VanDerWaalsContact C-N 3.29Å; Q208-L210 PolarHBondContact O-N 3.41Å; L210-D212 VanDerWaalsContact C-N 3.29Å; L210-D212 PolarHBondContact O-N 3.45Å; L210-Q213 PolarHBondContact O-N 3.03Å; L210-Q213 VanDerWaalsContact O-N 3.12Å; L210-L214 WeakPolarHBondContact O-CG 3.41Å; L210-L214 PolarHBondContact O-N 2.98Å |
| 211 | L | 98.6 | Very high | 98.3 | Very high | 112 Ų | 112 | 95.7 Ų | 95.7 | 59% | 0.586 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61 | -39.1 | 173 | -71.1 | 168 | 0 | 0 | 0 | 111.6 | N207 Q208 Q213 L214 S215 | N207-L211 VanDerWaalsContact O-CG 3.3Å; N207-L211 WeakPolarHBondContact O-CG 3.5Å; N207-L211 PolarHBondContact O-N 3Å; Q208-L211 PolarHBondContact O-N 3.34Å; L211-Q213 VanDerWaalsContact C-N 3.32Å; L211-Q213 PolarHBondContact O-N 3.17Å; L211-L214 PolarHBondContact O-N 3.35Å; L211-S215 WeakPolarHBondContact O-CB 3.4Å; L211-S215 PolarHBondContact O-N 3.06Å; L211-S215 PolarHBondContact O-OG 3.25Å |
| 212 | D | 98.4 | Very high | 98.3 | Very high | 77 Ų | 77 | 96.7 Ų | 96.7 | 41% | 0.412 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.9 | -31.4 | 172.8 | -105.1 | 19.7 | 0 | 0 | 0 | 113.7 | Q208 R209 L210 S215 R216 | Q208-D212 WeakPolarHBondContact O-CB 3.36Å; Q208-D212 PolarHBondContact O-N 3.07Å; R209-D212 WeakPolarHBondContact O-CB 3.37Å; L210-D212 VanDerWaalsContact C-N 3.29Å; L210-D212 PolarHBondContact O-N 3.45Å; D212-S215 WeakPolarHBondContact CA-OG 3.3Å; D212-S215 PolarHBondContact O-OG 3.48Å; D212-S215 VanDerWaalsContact O-OG 3.12Å; D212-R216 VanDerWaalsContact CG-NH2 3.3Å; D212-R216 WeakPolarHBondContact O-CB 3.42Å; D212-R216 WeakPolarHBondContact O-CD 3.19Å; D212-R216 WeakPolarHBondContact O-CG 3.16Å; D212-R216 PolarHBondContact O-N 2.87Å; D212-R216 PolarHBondContact O-NE 2.97Å; D212-R216 IonicContact OD2-CZ 3.69Å; D212-R216 IonicContact OD2-NH1 2.7Å; D212-R216 IonicContact OD2-NH2 3.97Å; D212-R216 PolarHBondContact OD2-NH2 3.33Å |
| 213 | Q | 98.5 | Very high | 98.2 | Very high | 117 Ų | 117 | 96 Ų | 96 | 55% | 0.547 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -77.4 | -41.1 | 174.7 | -73.9 | 169.4 | 19.4 | 0 | 0 | 110.9 | R209 L210 L211 A217 | R209-Q213 VanDerWaalsContact O-CG 3.28Å; R209-Q213 WeakPolarHBondContact O-CG 3.41Å; R209-Q213 PolarHBondContact O-N 3.28Å; R209-Q213 VanDerWaalsContact O-N 3.14Å; L210-Q213 PolarHBondContact O-N 3.03Å; L210-Q213 VanDerWaalsContact O-N 3.12Å; L211-Q213 VanDerWaalsContact C-N 3.32Å; L211-Q213 PolarHBondContact O-N 3.17Å; Q213-A217 WeakPolarHBondContact O-CB 3.36Å; Q213-A217 PolarHBondContact O-N 3.3Å |
| 214 | L | 98.3 | Very high | 98.2 | Very high | 118 Ų | 118 | 95.7 Ų | 95.7 | 62% | 0.618 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.1 | -40.5 | 176.8 | -70.4 | 168.1 | 0 | 0 | 0 | 112.2 | L210 L211 A217 S218 | L210-L214 WeakPolarHBondContact O-CG 3.41Å; L210-L214 PolarHBondContact O-N 2.98Å; L211-L214 PolarHBondContact O-N 3.35Å; L214-A217 PolarHBondContact O-N 3.03Å; L214-S218 PolarHBondContact O-N 3.4Å; L214-S218 PolarHBondContact O-OG 3.48Å |
| 215 | S | 97.8 | Very high | 98.3 | Very high | 48 Ų | 48 | 97 Ų | 97 | 34% | 0.336 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.4 | -51.9 | 175.7 | 63.8 | 0 | 0 | 0 | 0 | 110.9 | L211 D212 A217 S218 E219 | L211-S215 WeakPolarHBondContact O-CB 3.4Å; L211-S215 PolarHBondContact O-N 3.06Å; L211-S215 PolarHBondContact O-OG 3.25Å; D212-S215 WeakPolarHBondContact CA-OG 3.3Å; D212-S215 PolarHBondContact O-OG 3.48Å; D212-S215 VanDerWaalsContact O-OG 3.12Å; S215-A217 VanDerWaalsContact C-N 3.31Å; S215-A217 PolarHBondContact O-N 2.74Å; S215-S218 PolarHBondContact O-N 3.07Å; S215-S218 VanDerWaalsContact O-N 3.12Å; S215-S218 PolarHBondContact O-OG 3.16Å; S215-E219 WeakPolarHBondContact O-CG 3.47Å; S215-E219 PolarHBondContact O-N 2.92Å |
| 216 | R | 98.6 | Very high | 98.3 | Very high | 135 Ų | 135 | 98.6 Ų | 98.6 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.7 | -40.1 | 175.3 | -69.6 | 169.2 | -165.8 | 134.9 | 14.3 | 112.5 | D212 E219 V220 | D212-R216 VanDerWaalsContact CG-NH2 3.3Å; D212-R216 WeakPolarHBondContact O-CB 3.42Å; D212-R216 WeakPolarHBondContact O-CD 3.19Å; D212-R216 WeakPolarHBondContact O-CG 3.16Å; D212-R216 PolarHBondContact O-N 2.87Å; D212-R216 PolarHBondContact O-NE 2.97Å; D212-R216 IonicContact OD2-CZ 3.69Å; D212-R216 IonicContact OD2-NH1 2.7Å; D212-R216 IonicContact OD2-NH2 3.97Å; D212-R216 PolarHBondContact OD2-NH2 3.33Å; R216-E219 PolarHBondContact O-N 3.41Å; R216-V220 WeakPolarHBondContact O-CG2 3.42Å; R216-V220 PolarHBondContact O-N 3.41Å |
| 217 | A | 98.3 | Very high | 98.3 | Very high | 47 Ų | 47 | 99.3 Ų | 99.3 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -49.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q213 L214 S215 E219 V220 E221 | Q213-A217 WeakPolarHBondContact O-CB 3.36Å; Q213-A217 PolarHBondContact O-N 3.3Å; L214-A217 PolarHBondContact O-N 3.03Å; S215-A217 VanDerWaalsContact C-N 3.31Å; S215-A217 PolarHBondContact O-N 2.74Å; A217-E219 VanDerWaalsContact C-N 3.28Å; A217-E219 PolarHBondContact O-N 3.4Å; A217-V220 PolarHBondContact O-N 3.11Å; A217-V220 VanDerWaalsContact O-N 3.13Å; A217-E221 WeakPolarHBondContact O-CG 3.39Å; A217-E221 PolarHBondContact O-N 3.05Å |
| 218 | S | 97 | Very high | 98.3 | Very high | 63 Ų | 63 | 98 Ų | 98 | 44% | 0.441 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -31.2 | 177.7 | 75 | 0 | 0 | 0 | 0 | 113.4 | L214 S215 R222 | L214-S218 PolarHBondContact O-N 3.4Å; L214-S218 PolarHBondContact O-OG 3.48Å; S215-S218 PolarHBondContact O-N 3.07Å; S215-S218 VanDerWaalsContact O-N 3.12Å; S215-S218 PolarHBondContact O-OG 3.16Å; S218-R222 VanDerWaalsContact O-CB 3.27Å; S218-R222 WeakPolarHBondContact O-CB 3.44Å; S218-R222 PolarHBondContact O-N 3.49Å |
| 219 | E | 98.6 | Very high | 98.3 | Very high | 102 Ų | 102 | 96.6 Ų | 96.6 | 48% | 0.477 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 173.3 | -75.6 | -174.9 | 167 | 0 | 0 | 112 | S215 R216 A217 R222 Q223 | S215-E219 WeakPolarHBondContact O-CG 3.47Å; S215-E219 PolarHBondContact O-N 2.92Å; R216-E219 PolarHBondContact O-N 3.41Å; A217-E219 VanDerWaalsContact C-N 3.28Å; A217-E219 PolarHBondContact O-N 3.4Å; E219-R222 PolarHBondContact O-N 2.84Å; E219-Q223 VanDerWaalsContact O-CG 3.24Å; E219-Q223 WeakPolarHBondContact O-CG 3.39Å; E219-Q223 PolarHBondContact O-N 3.43Å |
| 220 | V | 98.5 | Very high | 98.3 | Very high | 74 Ų | 74 | 92.5 Ų | 92.5 | 45% | 0.448 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68 | -43.2 | 174.6 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | R216 A217 R222 Q223 L224 | R216-V220 WeakPolarHBondContact O-CG2 3.42Å; R216-V220 PolarHBondContact O-N 3.41Å; A217-V220 PolarHBondContact O-N 3.11Å; A217-V220 VanDerWaalsContact O-N 3.13Å; V220-R222 VanDerWaalsContact C-N 3.31Å; V220-R222 PolarHBondContact O-N 2.9Å; V220-Q223 PolarHBondContact O-N 3.4Å; V220-L224 HydrophobicContact CG1-CD1 3.93Å; V220-L224 HydrophobicContact CG1-CG 4.33Å; V220-L224 WeakPolarHBondContact O-CB 3.4Å; V220-L224 WeakPolarHBondContact O-CG 3.4Å; V220-L224 PolarHBondContact O-N 3.04Å |
| 221 | E | 98.1 | Very high | 98.3 | Very high | 132 Ų | 132 | 93.6 Ų | 93.6 | 62% | 0.617 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.9 | -40 | 173.6 | -72.5 | -178.3 | 165.7 | 0 | 0 | 112 | A217 S225 | A217-E221 WeakPolarHBondContact O-CG 3.39Å; A217-E221 PolarHBondContact O-N 3.05Å; E221-S225 VanDerWaalsContact O-CB 3.24Å; E221-S225 WeakPolarHBondContact O-CB 3.18Å; E221-S225 PolarHBondContact O-N 2.85Å; E221-S225 PolarHBondContact O-OG 3.42Å |
| 222 | R | 98.1 | Very high | 98.3 | Very high | 135 Ų | 135 | 95.8 Ų | 95.8 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 173.6 | -174.3 | -174.5 | 62.3 | 73.1 | -1.3 | 111.8 | S218 E219 V220 S225 M226 | S218-R222 VanDerWaalsContact O-CB 3.27Å; S218-R222 WeakPolarHBondContact O-CB 3.44Å; S218-R222 PolarHBondContact O-N 3.49Å; E219-R222 PolarHBondContact O-N 2.84Å; V220-R222 VanDerWaalsContact C-N 3.31Å; V220-R222 PolarHBondContact O-N 2.9Å; R222-S225 PolarHBondContact O-N 3.16Å; R222-M226 PolarHBondContact NH1-SD 3.11Å; R222-M226 WeakPolarHBondContact O-CG 3.4Å; R222-M226 PolarHBondContact O-N 3.08Å |
| 223 | Q | 98.4 | Very high | 98.3 | Very high | 92 Ų | 92 | 95.8 Ų | 95.8 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 176.2 | -73 | 170.4 | 39.2 | 0 | 0 | 111.6 | E219 V220 S225 M226 Q227 | E219-Q223 VanDerWaalsContact O-CG 3.24Å; E219-Q223 WeakPolarHBondContact O-CG 3.39Å; E219-Q223 PolarHBondContact O-N 3.43Å; V220-Q223 PolarHBondContact O-N 3.4Å; Q223-S225 VanDerWaalsContact C-N 3.33Å; Q223-S225 PolarHBondContact O-N 3.25Å; Q223-M226 PolarHBondContact O-N 3.07Å; Q223-Q227 WeakPolarHBondContact O-CG 3.43Å; Q223-Q227 PolarHBondContact O-N 3.32Å |
| 224 | L | 98.4 | Very high | 98.2 | Very high | 92 Ų | 92 | 93.4 Ų | 93.4 | 48% | 0.482 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 175.6 | -69.5 | 171.6 | 0 | 0 | 0 | 111.5 | V220 M226 Q227 V228 | V220-L224 HydrophobicContact CG1-CD1 3.93Å; V220-L224 HydrophobicContact CG1-CG 4.33Å; V220-L224 WeakPolarHBondContact O-CB 3.4Å; V220-L224 WeakPolarHBondContact O-CG 3.4Å; V220-L224 PolarHBondContact O-N 3.04Å; L224-M226 VanDerWaalsContact C-N 3.35Å; L224-M226 PolarHBondContact O-N 3.2Å; L224-Q227 PolarHBondContact O-N 3.09Å; L224-V228 WeakPolarHBondContact O-CB 3.38Å; L224-V228 VanDerWaalsContact O-CG2 3.32Å; L224-V228 WeakPolarHBondContact O-CG2 3.39Å; L224-V228 PolarHBondContact O-N 3.2Å |
| 225 | S | 98.3 | Very high | 98.2 | Very high | 78 Ų | 78 | 93.9 Ų | 93.9 | 55% | 0.545 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63 | -39.4 | 175.3 | -62.6 | 0 | 0 | 0 | 0 | 112.3 | E221 R222 Q223 V228 H229 | E221-S225 VanDerWaalsContact O-CB 3.24Å; E221-S225 WeakPolarHBondContact O-CB 3.18Å; E221-S225 PolarHBondContact O-N 2.85Å; E221-S225 PolarHBondContact O-OG 3.42Å; R222-S225 PolarHBondContact O-N 3.16Å; Q223-S225 VanDerWaalsContact C-N 3.33Å; Q223-S225 PolarHBondContact O-N 3.25Å; S225-V228 PolarHBondContact O-N 3.22Å; S225-H229 PolarHBondContact O-N 3.48Å |
| 226 | M | 98.2 | Very high | 98.2 | Very high | 114 Ų | 114 | 97.9 Ų | 97.9 | 56% | 0.562 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.3 | -43.3 | 173.2 | -71.5 | 175.4 | 65.8 | 0 | 0 | 111.9 | R222 Q223 L224 V228 H229 A230 | R222-M226 PolarHBondContact NH1-SD 3.11Å; R222-M226 WeakPolarHBondContact O-CG 3.4Å; R222-M226 PolarHBondContact O-N 3.08Å; Q223-M226 PolarHBondContact O-N 3.07Å; L224-M226 VanDerWaalsContact C-N 3.35Å; L224-M226 PolarHBondContact O-N 3.2Å; M226-V228 VanDerWaalsContact C-N 3.35Å; M226-V228 PolarHBondContact O-N 3.49Å; M226-H229 WeakPolarHBondContact O-CB 3.35Å; M226-H229 PolarHBondContact O-N 2.84Å; M226-H229 VanDerWaalsContact O-N 3.13Å; M226-A230 PolarHBondContact O-N 2.9Å |
| 227 | Q | 98.5 | Very high | 98.2 | Very high | 111 Ų | 111 | 97.7 Ų | 97.7 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 174.9 | -70.2 | 173.4 | 10.9 | 0 | 0 | 111.7 | Q223 L224 H229 A230 L231 | Q223-Q227 WeakPolarHBondContact O-CG 3.43Å; Q223-Q227 PolarHBondContact O-N 3.32Å; L224-Q227 PolarHBondContact O-N 3.09Å; Q227-H229 VanDerWaalsContact C-N 3.3Å; Q227-H229 PolarHBondContact O-N 3.19Å; Q227-A230 PolarHBondContact O-N 3.23Å; Q227-L231 WeakPolarHBondContact O-CB 3.46Å; Q227-L231 VanDerWaalsContact O-CG 3.3Å; Q227-L231 WeakPolarHBondContact O-CG 3.39Å; Q227-L231 PolarHBondContact O-N 3.46Å |
| 228 | V | 98.6 | Very high | 98.2 | Very high | 68 Ų | 68 | 101 Ų | 101 | 41% | 0.412 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.7 | -31.7 | 174.3 | 169.2 | 0 | 0 | 0 | 0 | 111.7 | L224 S225 M226 R232 | L224-V228 WeakPolarHBondContact O-CB 3.38Å; L224-V228 VanDerWaalsContact O-CG2 3.32Å; L224-V228 WeakPolarHBondContact O-CG2 3.39Å; L224-V228 PolarHBondContact O-N 3.2Å; S225-V228 PolarHBondContact O-N 3.22Å; M226-V228 VanDerWaalsContact C-N 3.35Å; M226-V228 PolarHBondContact O-N 3.49Å; V228-R232 WeakPolarHBondContact O-CB 3.46Å; V228-R232 WeakPolarHBondContact O-CD 3.02Å; V228-R232 WeakPolarHBondContact O-CG 3.33Å; V228-R232 PolarHBondContact O-N 3.02Å; V228-R232 VanDerWaalsContact O-N 3.12Å |
| 229 | H | 98.3 | Very high | 98.2 | Very high | 93 Ų | 93 | 101 Ų | 101 | 43% | 0.431 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.6 | -49.2 | 173.5 | -150.7 | 77.1 | 0 | 0 | 0 | 111.5 | S225 M226 Q227 L231 R232 E233 | S225-H229 PolarHBondContact O-N 3.48Å; M226-H229 WeakPolarHBondContact O-CB 3.35Å; M226-H229 PolarHBondContact O-N 2.84Å; M226-H229 VanDerWaalsContact O-N 3.13Å; Q227-H229 VanDerWaalsContact C-N 3.3Å; Q227-H229 PolarHBondContact O-N 3.19Å; H229-L231 PolarHBondContact O-N 2.87Å; H229-R232 CarbonylContact O-C 3.55Å; H229-R232 WeakPolarHBondContact O-CA 3.24Å; H229-R232 WeakPolarHBondContact O-CB 3.06Å; H229-R232 PolarHBondContact O-N 3.12Å; H229-E233 IonicContact CD2-OE1 2.8Å; H229-E233 PolarHBondContact CD2-OE1 3.45Å; H229-E233 VanDerWaalsContact CD2-OE1 3.26Å; H229-E233 IonicContact CD2-OE2 3.97Å; H229-E233 IonicContact NE2-OE1 2.67Å; H229-E233 PolarHBondContact NE2-OE1 3.39Å; H229-E233 WeakPolarHBondContact O-CG 3.39Å; H229-E233 PolarHBondContact O-N 2.83Å |
| 230 | A | 98.3 | Very high | 98.2 | Very high | 45 Ų | 45 | 98.8 Ų | 98.8 | 37% | 0.372 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | M226 Q227 R232 E233 D234 | M226-A230 PolarHBondContact O-N 2.9Å; Q227-A230 PolarHBondContact O-N 3.23Å; A230-R232 PolarHBondContact O-N 3.27Å; A230-E233 CarbonylContact O-C 3.55Å; A230-E233 WeakPolarHBondContact O-CA 3.35Å; A230-E233 WeakPolarHBondContact O-CB 3.33Å; A230-E233 PolarHBondContact O-N 2.91Å; A230-D234 PolarHBondContact O-N 3Å |
| 231 | L | 98.3 | Very high | 98.1 | Very high | 113 Ų | 113 | 97.4 Ų | 97.4 | 59% | 0.592 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.7 | -27.7 | 175.1 | -70.8 | 171.9 | 0 | 0 | 0 | 113.2 | Q227 H229 E233 F235 | Q227-L231 WeakPolarHBondContact O-CB 3.46Å; Q227-L231 VanDerWaalsContact O-CG 3.3Å; Q227-L231 WeakPolarHBondContact O-CG 3.39Å; Q227-L231 PolarHBondContact O-N 3.46Å; H229-L231 PolarHBondContact O-N 2.87Å; L231-E233 VanDerWaalsContact C-N 3.33Å; L231-F235 WeakPolarHBondContact O-CB 3.08Å; L231-F235 PolarHBondContact O-N 3.26Å; L231-F235 VanDerWaalsContact O-N 3.12Å |
| 232 | R | 98.3 | Very high | 98.1 | Very high | 157 Ų | 157 | 94.4 Ų | 94.4 | 59% | 0.592 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -78.3 | -14.8 | 169.9 | -72.8 | 168.8 | -179.2 | -174.2 | 3.1 | 112.9 | V228 H229 A230 R236 | V228-R232 WeakPolarHBondContact O-CB 3.46Å; V228-R232 WeakPolarHBondContact O-CD 3.02Å; V228-R232 WeakPolarHBondContact O-CG 3.33Å; V228-R232 PolarHBondContact O-N 3.02Å; V228-R232 VanDerWaalsContact O-N 3.12Å; H229-R232 CarbonylContact O-C 3.55Å; H229-R232 WeakPolarHBondContact O-CA 3.24Å; H229-R232 WeakPolarHBondContact O-CB 3.06Å; H229-R232 PolarHBondContact O-N 3.12Å; A230-R232 PolarHBondContact O-N 3.27Å; R232-R236 WeakPolarHBondContact O-CB 3.21Å; R232-R236 WeakPolarHBondContact O-CG 3.41Å; R232-R236 PolarHBondContact O-N 2.87Å; R232-R236 PolarHBondContact O-NE 3.44Å |
| 233 | E | 98.2 | Very high | 98.1 | Very high | 77 Ų | 77 | 92.2 Ų | 92.2 | 36% | 0.36 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -86.5 | -52.5 | 174.3 | -72.5 | 173 | 156.6 | 0 | 0 | 109.4 | H229 A230 L231 F235 R236 E237 | H229-E233 IonicContact CD2-OE1 2.8Å; H229-E233 PolarHBondContact CD2-OE1 3.45Å; H229-E233 VanDerWaalsContact CD2-OE1 3.26Å; H229-E233 IonicContact CD2-OE2 3.97Å; H229-E233 IonicContact NE2-OE1 2.67Å; H229-E233 PolarHBondContact NE2-OE1 3.39Å; H229-E233 WeakPolarHBondContact O-CG 3.39Å; H229-E233 PolarHBondContact O-N 2.83Å; A230-E233 CarbonylContact O-C 3.55Å; A230-E233 WeakPolarHBondContact O-CA 3.35Å; A230-E233 WeakPolarHBondContact O-CB 3.33Å; A230-E233 PolarHBondContact O-N 2.91Å; L231-E233 VanDerWaalsContact C-N 3.33Å; E233-F235 PolarHBondContact O-N 2.87Å; E233-F235 VanDerWaalsContact O-N 3.12Å; E233-R236 CarbonylContact O-C 3.56Å; E233-R236 WeakPolarHBondContact O-CA 3.36Å; E233-R236 WeakPolarHBondContact O-CB 3.19Å; E233-R236 PolarHBondContact O-N 2.95Å; E233-R236 IonicContact OE1-CZ 3.07Å; E233-R236 IonicContact OE1-NH2 3.19Å; E233-R236 PolarHBondContact OE1-NH2 2.73Å; E233-R236 VanDerWaalsContact OE1-NH2 3.08Å; E233-E237 PolarHBondContact O-N 3.26Å |
| 234 | D | 98.3 | Very high | 98.1 | Very high | 68 Ų | 68 | 92.4 Ų | 92.4 | 36% | 0.364 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -38.9 | -50 | 162.3 | -94.1 | 46.5 | 0 | 0 | 0 | 113 | A230 K238 | A230-D234 PolarHBondContact O-N 3Å; D234-K238 VanDerWaalsContact O-CB 3.31Å; D234-K238 WeakPolarHBondContact O-CB 3.44Å; D234-K238 VanDerWaalsContact O-CD 3.24Å; D234-K238 WeakPolarHBondContact O-CD 3.48Å; D234-K238 WeakPolarHBondContact O-CG 3.32Å; D234-K238 PolarHBondContact O-N 3.15Å; D234-K238 IonicContact OD2-NZ 2.9Å; D234-K238 PolarHBondContact OD2-NZ 2.87Å |
| 235 | F | 97.4 | Very high | 98.1 | Very high | 128 Ų | 128 | 93 Ų | 93 | 56% | 0.561 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -75.4 | -31.9 | -179 | -169.4 | -115 | 0 | 0 | 0 | 112.9 | L231 E233 N239 | L231-F235 WeakPolarHBondContact O-CB 3.08Å; L231-F235 PolarHBondContact O-N 3.26Å; L231-F235 VanDerWaalsContact O-N 3.12Å; E233-F235 PolarHBondContact O-N 2.87Å; E233-F235 VanDerWaalsContact O-N 3.12Å; F235-N239 WeakPolarHBondContact CD1-ND2 3.45Å; F235-N239 WeakPolarHBondContact CE1-ND2 3.39Å; F235-N239 WeakPolarHBondContact CZ-ND2 3.38Å; F235-N239 VanDerWaalsContact O-CB 3.26Å; F235-N239 WeakPolarHBondContact O-CB 3.22Å; F235-N239 PolarHBondContact O-N 3.44Å; F235-N239 PolarHBondContact O-ND2 2.89Å |
| 236 | R | 98.1 | Very high | 98.1 | Very high | 132 Ų | 132 | 93.2 Ų | 93.2 | 50% | 0.498 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66 | -39.5 | 171.5 | -83.8 | 178.9 | -79.3 | 167.7 | -6.3 | 111.3 | R232 E233 S240 | R232-R236 WeakPolarHBondContact O-CB 3.21Å; R232-R236 WeakPolarHBondContact O-CG 3.41Å; R232-R236 PolarHBondContact O-N 2.87Å; R232-R236 PolarHBondContact O-NE 3.44Å; E233-R236 CarbonylContact O-C 3.56Å; E233-R236 WeakPolarHBondContact O-CA 3.36Å; E233-R236 WeakPolarHBondContact O-CB 3.19Å; E233-R236 PolarHBondContact O-N 2.95Å; E233-R236 IonicContact OE1-CZ 3.07Å; E233-R236 IonicContact OE1-NH2 3.19Å; E233-R236 PolarHBondContact OE1-NH2 2.73Å; E233-R236 VanDerWaalsContact OE1-NH2 3.08Å; R236-S240 WeakPolarHBondContact O-CB 3.48Å; R236-S240 PolarHBondContact O-N 3.39Å; R236-S240 PolarHBondContact O-OG 2.7Å |
| 237 | E | 98.1 | Very high | 98 | Very high | 130 Ų | 130 | 92.9 Ų | 92.9 | 61% | 0.607 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -72.6 | -41 | 176.8 | -69.7 | -178.8 | -173.4 | 0 | 0 | 112.7 | E233 N239 S240 S241 | E233-E237 PolarHBondContact O-N 3.26Å; E237-N239 VanDerWaalsContact C-N 3.32Å; E237-N239 PolarHBondContact O-N 3.34Å; E237-S240 PolarHBondContact O-N 2.85Å; E237-S240 PolarHBondContact O-OG 2.77Å; E237-S240 VanDerWaalsContact O-OG 3.1Å; E237-S241 WeakPolarHBondContact O-CB 3.38Å; E237-S241 PolarHBondContact O-N 3.13Å; E237-S241 PolarHBondContact O-OG 3.37Å |
| 238 | K | 97.9 | Very high | 98 | Very high | 116 Ų | 116 | 93.8 Ų | 93.8 | 50% | 0.504 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 171.9 | -73.2 | 158.6 | -166 | 157.4 | 0 | 110.5 | D234 S241 T242 | D234-K238 VanDerWaalsContact O-CB 3.31Å; D234-K238 WeakPolarHBondContact O-CB 3.44Å; D234-K238 VanDerWaalsContact O-CD 3.24Å; D234-K238 WeakPolarHBondContact O-CD 3.48Å; D234-K238 WeakPolarHBondContact O-CG 3.32Å; D234-K238 PolarHBondContact O-N 3.15Å; D234-K238 IonicContact OD2-NZ 2.9Å; D234-K238 PolarHBondContact OD2-NZ 2.87Å; K238-S241 WeakPolarHBondContact CA-OG 3.46Å; K238-S241 PolarHBondContact O-OG 3.09Å; K238-T242 WeakPolarHBondContact O-CB 3.32Å; K238-T242 WeakPolarHBondContact O-CG2 3.44Å; K238-T242 PolarHBondContact O-N 3.38Å; K238-T242 PolarHBondContact O-OG1 2.85Å |
| 239 | N | 98.2 | Very high | 98 | Very high | 63 Ų | 63 | 95.2 Ų | 95.2 | 34% | 0.337 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.8 | -38.7 | 175.5 | -69.4 | -15.2 | 0 | 0 | 0 | 113.3 | F235 E237 T242 N243 | F235-N239 WeakPolarHBondContact CD1-ND2 3.45Å; F235-N239 WeakPolarHBondContact CE1-ND2 3.39Å; F235-N239 WeakPolarHBondContact CZ-ND2 3.38Å; F235-N239 VanDerWaalsContact O-CB 3.26Å; F235-N239 WeakPolarHBondContact O-CB 3.22Å; F235-N239 PolarHBondContact O-N 3.44Å; F235-N239 PolarHBondContact O-ND2 2.89Å; E237-N239 VanDerWaalsContact C-N 3.32Å; E237-N239 PolarHBondContact O-N 3.34Å; N239-T242 WeakPolarHBondContact CA-OG1 3.39Å; N239-T242 PolarHBondContact O-OG1 3.3Å; N239-T242 VanDerWaalsContact O-OG1 3.05Å; N239-N243 VanDerWaalsContact O-CB 3.3Å; N239-N243 WeakPolarHBondContact O-CB 3.24Å; N239-N243 PolarHBondContact O-N 3.47Å; N239-N243 PolarHBondContact O-ND2 3.42Å; N239-N243 PolarHBondContact O-OD1 3.12Å |
| 240 | S | 96.9 | Very high | 98 | Very high | 57 Ų | 57 | 96.2 Ų | 96.2 | 40% | 0.399 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.2 | -40.2 | 178.5 | 73.7 | 0 | 0 | 0 | 0 | 111.5 | R236 E237 N243 Q244 | R236-S240 WeakPolarHBondContact O-CB 3.48Å; R236-S240 PolarHBondContact O-N 3.39Å; R236-S240 PolarHBondContact O-OG 2.7Å; E237-S240 PolarHBondContact O-N 2.85Å; E237-S240 PolarHBondContact O-OG 2.77Å; E237-S240 VanDerWaalsContact O-OG 3.1Å; S240-N243 PolarHBondContact O-N 2.82Å; S240-Q244 WeakPolarHBondContact O-CG 3.36Å; S240-Q244 PolarHBondContact O-N 3.44Å |
| 241 | S | 97.1 | Very high | 97.9 | Very high | 44 Ų | 44 | 97.5 Ų | 97.5 | 31% | 0.308 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.7 | -43.5 | 173.4 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | E237 K238 N243 Q244 H245 | E237-S241 WeakPolarHBondContact O-CB 3.38Å; E237-S241 PolarHBondContact O-N 3.13Å; E237-S241 PolarHBondContact O-OG 3.37Å; K238-S241 WeakPolarHBondContact CA-OG 3.46Å; K238-S241 PolarHBondContact O-OG 3.09Å; S241-N243 VanDerWaalsContact C-N 3.3Å; S241-N243 PolarHBondContact O-N 3.37Å; S241-Q244 WeakPolarHBondContact O-CB 3.33Å; S241-Q244 PolarHBondContact O-N 3.02Å; S241-Q244 VanDerWaalsContact O-N 3.16Å; S241-H245 PolarHBondContact O-CD2 3.21Å; S241-H245 PolarHBondContact O-N 2.89Å |
| 242 | T | 98.1 | Very high | 97.9 | Very high | 69 Ų | 69 | 96.3 Ų | 96.3 | 42% | 0.423 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.8 | -38 | 173.1 | 54.1 | 0 | 0 | 0 | 0 | 112.1 | K238 N239 H245 I246 | K238-T242 WeakPolarHBondContact O-CB 3.32Å; K238-T242 WeakPolarHBondContact O-CG2 3.44Å; K238-T242 PolarHBondContact O-N 3.38Å; K238-T242 PolarHBondContact O-OG1 2.85Å; N239-T242 WeakPolarHBondContact CA-OG1 3.39Å; N239-T242 PolarHBondContact O-OG1 3.3Å; N239-T242 VanDerWaalsContact O-OG1 3.05Å; T242-H245 PolarHBondContact O-N 3.3Å; T242-I246 VanDerWaalsContact O-CG1 3.29Å; T242-I246 WeakPolarHBondContact O-CG1 3.19Å; T242-I246 PolarHBondContact O-N 2.87Å |
| 243 | N | 98.2 | Very high | 97.9 | Very high | 90 Ų | 90 | 93.7 Ų | 93.7 | 48% | 0.481 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 174.3 | -72 | -13.8 | 0 | 0 | 0 | 111.8 | N239 S240 S241 H245 I246 I247 | N239-N243 VanDerWaalsContact O-CB 3.3Å; N239-N243 WeakPolarHBondContact O-CB 3.24Å; N239-N243 PolarHBondContact O-N 3.47Å; N239-N243 PolarHBondContact O-ND2 3.42Å; N239-N243 PolarHBondContact O-OD1 3.12Å; S240-N243 PolarHBondContact O-N 2.82Å; S241-N243 VanDerWaalsContact C-N 3.3Å; S241-N243 PolarHBondContact O-N 3.37Å; N243-H245 VanDerWaalsContact C-N 3.33Å; N243-H245 PolarHBondContact O-N 3.26Å; N243-I246 PolarHBondContact O-N 2.92Å; N243-I247 WeakPolarHBondContact O-CD1 3.38Å; N243-I247 VanDerWaalsContact O-CG1 3.3Å; N243-I247 WeakPolarHBondContact O-CG1 3.33Å; N243-I247 PolarHBondContact O-N 2.9Å |
| 244 | Q | 98.1 | Very high | 97.9 | Very high | 95 Ų | 95 | 92.4 Ų | 92.4 | 44% | 0.444 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 171.1 | -69.8 | 171.7 | 32.3 | 0 | 0 | 112.2 | S240 S241 R248 | S240-Q244 WeakPolarHBondContact O-CG 3.36Å; S240-Q244 PolarHBondContact O-N 3.44Å; S241-Q244 WeakPolarHBondContact O-CB 3.33Å; S241-Q244 PolarHBondContact O-N 3.02Å; S241-Q244 VanDerWaalsContact O-N 3.16Å; Q244-R248 WeakPolarHBondContact O-CB 3.47Å; Q244-R248 VanDerWaalsContact O-CG 3.24Å; Q244-R248 WeakPolarHBondContact O-CG 3.37Å; Q244-R248 PolarHBondContact O-N 3.28Å |
| 245 | H | 98 | Very high | 97.9 | Very high | 106 Ų | 106 | 94.5 Ų | 94.5 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.1 | -39 | 175.3 | -72.4 | -68.2 | 0 | 0 | 0 | 112.3 | S241 T242 N243 R248 L249 | S241-H245 PolarHBondContact O-CD2 3.21Å; S241-H245 PolarHBondContact O-N 2.89Å; T242-H245 PolarHBondContact O-N 3.3Å; N243-H245 VanDerWaalsContact C-N 3.33Å; N243-H245 PolarHBondContact O-N 3.26Å; H245-R248 PolarHBondContact O-N 3.45Å; H245-L249 WeakPolarHBondContact O-CB 3.48Å; H245-L249 VanDerWaalsContact O-CG 3.28Å; H245-L249 WeakPolarHBondContact O-CG 3.27Å; H245-L249 PolarHBondContact O-N 2.92Å |
| 246 | I | 98.2 | Very high | 97.9 | Very high | 81 Ų | 81 | 93.8 Ų | 93.8 | 42% | 0.415 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61 | -50.7 | 174.2 | -70.6 | 162.1 | 0 | 0 | 0 | 110.1 | T242 N243 R248 L249 E250 | T242-I246 VanDerWaalsContact O-CG1 3.29Å; T242-I246 WeakPolarHBondContact O-CG1 3.19Å; T242-I246 PolarHBondContact O-N 2.87Å; N243-I246 PolarHBondContact O-N 2.92Å; I246-R248 VanDerWaalsContact C-N 3.3Å; I246-R248 PolarHBondContact O-N 3.29Å; I246-L249 CarbonylContact O-C 3.6Å; I246-L249 WeakPolarHBondContact O-CA 3.23Å; I246-L249 WeakPolarHBondContact O-CB 3.47Å; I246-L249 PolarHBondContact O-N 2.96Å; I246-E250 HydrophobicContact CG2-CG 4.37Å; I246-E250 WeakPolarHBondContact O-CG 3.5Å; I246-E250 PolarHBondContact O-N 3.05Å |
| 247 | I | 98 | Very high | 97.9 | Very high | 107 Ų | 107 | 93.1 Ų | 93.1 | 55% | 0.549 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.6 | -40 | 178.9 | -66.5 | 162.8 | 0 | 0 | 0 | 111.4 | N243 E250 S251 | N243-I247 WeakPolarHBondContact O-CD1 3.38Å; N243-I247 VanDerWaalsContact O-CG1 3.3Å; N243-I247 WeakPolarHBondContact O-CG1 3.33Å; N243-I247 PolarHBondContact O-N 2.9Å; I247-E250 PolarHBondContact O-N 3.22Å; I247-S251 PolarHBondContact O-N 2.99Å; I247-S251 PolarHBondContact O-OG 2.9Å |
| 248 | R | 97.9 | Very high | 97.9 | Very high | 130 Ų | 130 | 93.4 Ų | 93.4 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.7 | -35.2 | 174.6 | -70.9 | 170.5 | -168.9 | 151.5 | 10 | 112.8 | Q244 H245 I246 S251 L252 | Q244-R248 WeakPolarHBondContact O-CB 3.47Å; Q244-R248 VanDerWaalsContact O-CG 3.24Å; Q244-R248 WeakPolarHBondContact O-CG 3.37Å; Q244-R248 PolarHBondContact O-N 3.28Å; H245-R248 PolarHBondContact O-N 3.45Å; I246-R248 VanDerWaalsContact C-N 3.3Å; I246-R248 PolarHBondContact O-N 3.29Å; R248-S251 PolarHBondContact O-OG 3.31Å; R248-L252 WeakPolarHBondContact O-CB 3.33Å; R248-L252 VanDerWaalsContact O-CG 3.27Å; R248-L252 WeakPolarHBondContact O-CG 3.39Å; R248-L252 PolarHBondContact O-N 3.43Å; R248-L252 VanDerWaalsContact O-N 3.11Å |
| 249 | L | 98.2 | Very high | 97.9 | Very high | 99 Ų | 99 | 93.1 Ų | 93.1 | 52% | 0.518 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.7 | -38.7 | 174.2 | -73.5 | 167.3 | 0 | 0 | 0 | 111.3 | H245 I246 L252 Q253 | H245-L249 WeakPolarHBondContact O-CB 3.48Å; H245-L249 VanDerWaalsContact O-CG 3.28Å; H245-L249 WeakPolarHBondContact O-CG 3.27Å; H245-L249 PolarHBondContact O-N 2.92Å; I246-L249 CarbonylContact O-C 3.6Å; I246-L249 WeakPolarHBondContact O-CA 3.23Å; I246-L249 WeakPolarHBondContact O-CB 3.47Å; I246-L249 PolarHBondContact O-N 2.96Å; L249-L252 PolarHBondContact O-N 3.06Å; L249-Q253 VanDerWaalsContact O-CB 3.31Å; L249-Q253 WeakPolarHBondContact O-CB 3.47Å; L249-Q253 WeakPolarHBondContact O-CG 3.46Å; L249-Q253 PolarHBondContact O-N 3.03Å |
| 250 | E | 98 | Very high | 97.9 | Very high | 114 Ų | 114 | 91.8 Ų | 91.8 | 53% | 0.533 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 175 | -71.7 | 172.8 | 162.5 | 0 | 0 | 111.6 | I246 I247 Q253 A254 | I246-E250 HydrophobicContact CG2-CG 4.37Å; I246-E250 WeakPolarHBondContact O-CG 3.5Å; I246-E250 PolarHBondContact O-N 3.05Å; I247-E250 PolarHBondContact O-N 3.22Å; E250-Q253 PolarHBondContact O-N 2.76Å; E250-A254 PolarHBondContact O-N 3.23Å |
| 251 | S | 97.5 | Very high | 98 | Very high | 71 Ų | 71 | 93.1 Ų | 93.1 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 175.7 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | I247 R248 Q253 A254 E255 | I247-S251 PolarHBondContact O-N 2.99Å; I247-S251 PolarHBondContact O-OG 2.9Å; R248-S251 PolarHBondContact O-OG 3.31Å; S251-Q253 PolarHBondContact O-N 2.88Å; S251-A254 WeakPolarHBondContact O-CB 3.27Å; S251-A254 PolarHBondContact O-N 3.08Å; S251-E255 PolarHBondContact O-N 3.23Å |
| 252 | L | 98.1 | Very high | 98 | Very high | 89 Ų | 89 | 96.7 Ų | 96.7 | 47% | 0.466 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.5 | -35.6 | 176 | -71.6 | 169.8 | 0 | 0 | 0 | 112.1 | R248 L249 A254 E255 I256 | R248-L252 WeakPolarHBondContact O-CB 3.33Å; R248-L252 VanDerWaalsContact O-CG 3.27Å; R248-L252 WeakPolarHBondContact O-CG 3.39Å; R248-L252 PolarHBondContact O-N 3.43Å; R248-L252 VanDerWaalsContact O-N 3.11Å; L249-L252 PolarHBondContact O-N 3.06Å; L252-A254 VanDerWaalsContact C-N 3.34Å; L252-E255 PolarHBondContact O-N 3.46Å; L252-I256 WeakPolarHBondContact O-CB 3.45Å; L252-I256 WeakPolarHBondContact O-CD1 3.4Å; L252-I256 VanDerWaalsContact O-CG1 3.27Å; L252-I256 WeakPolarHBondContact O-CG1 3.27Å; L252-I256 PolarHBondContact O-N 3.4Å |
| 253 | Q | 98.3 | Very high | 98 | Very high | 102 Ų | 102 | 99 Ų | 99 | 48% | 0.477 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.3 | -35.1 | 172.3 | -77.4 | 178.1 | 33.9 | 0 | 0 | 112.3 | L249 E250 S251 K257 | L249-Q253 VanDerWaalsContact O-CB 3.31Å; L249-Q253 WeakPolarHBondContact O-CB 3.47Å; L249-Q253 WeakPolarHBondContact O-CG 3.46Å; L249-Q253 PolarHBondContact O-N 3.03Å; E250-Q253 PolarHBondContact O-N 2.76Å; S251-Q253 PolarHBondContact O-N 2.88Å; Q253-K257 WeakPolarHBondContact O-CB 3.36Å; Q253-K257 WeakPolarHBondContact O-CD 3.47Å; Q253-K257 WeakPolarHBondContact O-CG 3.32Å; Q253-K257 PolarHBondContact O-N 2.85Å |
| 254 | A | 97.7 | Very high | 98 | Very high | 49 Ų | 49 | 100.5 Ų | 100.5 | 41% | 0.405 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.3 | -43.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E250 S251 L252 K257 M258 | E250-A254 PolarHBondContact O-N 3.23Å; S251-A254 WeakPolarHBondContact O-CB 3.27Å; S251-A254 PolarHBondContact O-N 3.08Å; L252-A254 VanDerWaalsContact C-N 3.34Å; A254-K257 WeakPolarHBondContact O-CB 3.28Å; A254-K257 PolarHBondContact O-N 2.84Å; A254-M258 WeakPolarHBondContact O-CG 3.4Å; A254-M258 PolarHBondContact O-N 3.4Å |
| 255 | E | 98.1 | Very high | 98 | Very high | 112 Ų | 112 | 99.5 Ų | 99.5 | 52% | 0.523 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 174.7 | -174 | 176.2 | -168.6 | 0 | 0 | 112 | S251 L252 K257 M258 L259 | S251-E255 PolarHBondContact O-N 3.23Å; L252-E255 PolarHBondContact O-N 3.46Å; E255-K257 VanDerWaalsContact C-N 3.3Å; E255-K257 PolarHBondContact O-N 3.46Å; E255-M258 PolarHBondContact O-N 3.07Å; E255-L259 HydrophobicContact CG-CD1 4.11Å; E255-L259 WeakPolarHBondContact O-CB 3.5Å; E255-L259 WeakPolarHBondContact O-CG 3.39Å; E255-L259 PolarHBondContact O-N 2.86Å |
| 256 | I | 97.4 | Very high | 98 | Very high | 114 Ų | 114 | 98.7 Ų | 98.7 | 59% | 0.585 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.5 | -38 | 175.3 | -71.2 | 162.1 | 0 | 0 | 0 | 111.6 | L252 S260 | L252-I256 WeakPolarHBondContact O-CB 3.45Å; L252-I256 WeakPolarHBondContact O-CD1 3.4Å; L252-I256 VanDerWaalsContact O-CG1 3.27Å; L252-I256 WeakPolarHBondContact O-CG1 3.27Å; L252-I256 PolarHBondContact O-N 3.4Å; I256-S260 VanDerWaalsContact O-CB 3.29Å; I256-S260 WeakPolarHBondContact O-CB 3.15Å; I256-S260 PolarHBondContact O-N 3.18Å; I256-S260 PolarHBondContact O-OG 3.47Å |
| 257 | K | 98.3 | Very high | 98 | Very high | 118 Ų | 118 | 99.4 Ų | 99.4 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.8 | -54.6 | 173.6 | -75.7 | 162.7 | -171.1 | 167.6 | 0 | 110.6 | Q253 A254 E255 L259 S260 D261 | Q253-K257 WeakPolarHBondContact O-CB 3.36Å; Q253-K257 WeakPolarHBondContact O-CD 3.47Å; Q253-K257 WeakPolarHBondContact O-CG 3.32Å; Q253-K257 PolarHBondContact O-N 2.85Å; A254-K257 WeakPolarHBondContact O-CB 3.28Å; A254-K257 PolarHBondContact O-N 2.84Å; E255-K257 VanDerWaalsContact C-N 3.3Å; E255-K257 PolarHBondContact O-N 3.46Å; K257-L259 VanDerWaalsContact C-N 3.32Å; K257-L259 PolarHBondContact O-N 3.37Å; K257-S260 CarbonylContact O-C 3.59Å; K257-S260 WeakPolarHBondContact O-CA 3.2Å; K257-S260 WeakPolarHBondContact O-CB 3.47Å; K257-S260 PolarHBondContact O-N 3.28Å; K257-S260 PolarHBondContact O-OG 2.95Å; K257-D261 PolarHBondContact O-N 3.13Å |
| 258 | M | 98.2 | Very high | 98 | Very high | 135 Ų | 135 | 100.6 Ų | 100.6 | 67% | 0.665 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -54.9 | -43.5 | 177.8 | -70.4 | -64.2 | -63.7 | 0 | 0 | 112.8 | A254 E255 D261 R262 | A254-M258 WeakPolarHBondContact O-CG 3.4Å; A254-M258 PolarHBondContact O-N 3.4Å; E255-M258 PolarHBondContact O-N 3.07Å; M258-D261 PolarHBondContact O-N 3.08Å; M258-R262 WeakPolarHBondContact O-CB 3.24Å; M258-R262 PolarHBondContact O-N 3.06Å |
| 259 | L | 98.1 | Very high | 98.1 | Very high | 111 Ų | 111 | 100.9 Ų | 100.9 | 58% | 0.581 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.9 | -38 | 174.9 | -69.9 | 172.5 | 0 | 0 | 0 | 112 | E255 K257 K263 | E255-L259 HydrophobicContact CG-CD1 4.11Å; E255-L259 WeakPolarHBondContact O-CB 3.5Å; E255-L259 WeakPolarHBondContact O-CG 3.39Å; E255-L259 PolarHBondContact O-N 2.86Å; K257-L259 VanDerWaalsContact C-N 3.32Å; K257-L259 PolarHBondContact O-N 3.37Å; L259-K263 WeakPolarHBondContact O-CB 3.27Å; L259-K263 PolarHBondContact O-N 2.94Å |
| 260 | S | 98.1 | Very high | 98 | Very high | 35 Ų | 35 | 101.1 Ų | 101.1 | 25% | 0.245 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -68.9 | -35.9 | 175.7 | 78.4 | 0 | 0 | 0 | 0 | 112.8 | I256 K257 K263 R264 | I256-S260 VanDerWaalsContact O-CB 3.29Å; I256-S260 WeakPolarHBondContact O-CB 3.15Å; I256-S260 PolarHBondContact O-N 3.18Å; I256-S260 PolarHBondContact O-OG 3.47Å; K257-S260 CarbonylContact O-C 3.59Å; K257-S260 WeakPolarHBondContact O-CA 3.2Å; K257-S260 WeakPolarHBondContact O-CB 3.47Å; K257-S260 PolarHBondContact O-N 3.28Å; K257-S260 PolarHBondContact O-OG 2.95Å; S260-K263 WeakPolarHBondContact O-CB 3.37Å; S260-K263 PolarHBondContact O-N 2.94Å; S260-R264 WeakPolarHBondContact O-CG 3.35Å; S260-R264 PolarHBondContact O-N 3.26Å; S260-R264 PolarHBondContact OG-NH1 3.25Å |
| 261 | D | 98.3 | Very high | 98 | Very high | 84 Ų | 84 | 97.7 Ų | 97.7 | 45% | 0.449 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.9 | -42 | 176.1 | -69.3 | -44.3 | 0 | 0 | 0 | 111.1 | K257 M258 K263 R264 E265 | K257-D261 PolarHBondContact O-N 3.13Å; M258-D261 PolarHBondContact O-N 3.08Å; D261-K263 VanDerWaalsContact C-N 3.27Å; D261-K263 PolarHBondContact O-N 3.24Å; D261-R264 PolarHBondContact O-N 3.32Å; D261-R264 IonicContact OD1-CZ 3.44Å; D261-R264 IonicContact OD1-NH1 3.78Å; D261-R264 PolarHBondContact OD1-NH1 2.81Å; D261-E265 PolarHBondContact O-N 3.01Å |
| 262 | R | 98.1 | Very high | 98 | Very high | 120 Ų | 120 | 96.3 Ų | 96.3 | 45% | 0.453 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.1 | -34.2 | 171.1 | -175.8 | 54.9 | 175.1 | -176.3 | -0.1 | 112.1 | M258 E265 L266 | M258-R262 WeakPolarHBondContact O-CB 3.24Å; M258-R262 PolarHBondContact O-N 3.06Å; R262-E265 WeakPolarHBondContact CD-OE2 3.2Å; R262-E265 IonicContact CZ-OE2 3.61Å; R262-E265 IonicContact NE-OE2 2.63Å; R262-E265 IonicContact NH1-OE1 2.8Å; R262-E265 PolarHBondContact NH1-OE1 2.95Å; R262-E265 VanDerWaalsContact NH1-OE1 3.07Å; R262-E265 IonicContact NH1-OE2 2.71Å; R262-E265 PolarHBondContact NH1-OE2 3.36Å; R262-E265 PolarHBondContact O-N 3.4Å; R262-L266 HydrophobicContact CG-CD1 4.5Å; R262-L266 WeakPolarHBondContact O-CG 3.48Å; R262-L266 PolarHBondContact O-N 2.87Å |
| 263 | K | 98.1 | Very high | 98 | Very high | 118 Ų | 118 | 95.2 Ų | 95.2 | 51% | 0.513 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.2 | -50.5 | 171.6 | -170.5 | -163.4 | 169.7 | -140.2 | 0 | 111.1 | L259 S260 D261 E265 L266 E267 | L259-K263 WeakPolarHBondContact O-CB 3.27Å; L259-K263 PolarHBondContact O-N 2.94Å; S260-K263 WeakPolarHBondContact O-CB 3.37Å; S260-K263 PolarHBondContact O-N 2.94Å; D261-K263 VanDerWaalsContact C-N 3.27Å; D261-K263 PolarHBondContact O-N 3.24Å; K263-E265 VanDerWaalsContact C-N 3.26Å; K263-E265 PolarHBondContact O-N 3.39Å; K263-L266 PolarHBondContact O-N 2.97Å; K263-L266 VanDerWaalsContact O-N 3.08Å; K263-E267 WeakPolarHBondContact CE-OE1 3.14Å; K263-E267 WeakPolarHBondContact CE-OE2 3.49Å; K263-E267 HydrophobicContact CG-CG 4.46Å; K263-E267 IonicContact NZ-OE1 3.89Å; K263-E267 PolarHBondContact NZ-OE1 3.28Å; K263-E267 IonicContact NZ-OE2 2.65Å; K263-E267 PolarHBondContact NZ-OE2 3.27Å; K263-E267 WeakPolarHBondContact O-CG 3.29Å; K263-E267 PolarHBondContact O-N 3.32Å |
| 264 | R | 98.1 | Very high | 98 | Very high | 121 Ų | 121 | 94.9 Ų | 94.9 | 46% | 0.457 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -55.7 | -42.3 | 176.2 | -70.5 | 170.1 | -169.2 | 101.9 | 18.2 | 111.6 | S260 D261 L266 E267 H268 | S260-R264 WeakPolarHBondContact O-CG 3.35Å; S260-R264 PolarHBondContact O-N 3.26Å; S260-R264 PolarHBondContact OG-NH1 3.25Å; D261-R264 PolarHBondContact O-N 3.32Å; D261-R264 IonicContact OD1-CZ 3.44Å; D261-R264 IonicContact OD1-NH1 3.78Å; D261-R264 PolarHBondContact OD1-NH1 2.81Å; R264-L266 VanDerWaalsContact C-N 3.34Å; R264-L266 PolarHBondContact O-N 3.25Å; R264-E267 PolarHBondContact O-N 2.93Å; R264-H268 WeakPolarHBondContact O-CB 3.44Å; R264-H268 PolarHBondContact O-CD2 2.78Å; R264-H268 PolarHBondContact O-N 2.95Å |
| 265 | E | 98.3 | Very high | 98 | Very high | 73 Ų | 73 | 98.2 Ų | 98.2 | 34% | 0.341 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 177.4 | -161.6 | -155.6 | 150.7 | 0 | 0 | 112.2 | D261 R262 K263 R269 | D261-E265 PolarHBondContact O-N 3.01Å; R262-E265 WeakPolarHBondContact CD-OE2 3.2Å; R262-E265 IonicContact CZ-OE2 3.61Å; R262-E265 IonicContact NE-OE2 2.63Å; R262-E265 IonicContact NH1-OE1 2.8Å; R262-E265 PolarHBondContact NH1-OE1 2.95Å; R262-E265 VanDerWaalsContact NH1-OE1 3.07Å; R262-E265 IonicContact NH1-OE2 2.71Å; R262-E265 PolarHBondContact NH1-OE2 3.36Å; R262-E265 PolarHBondContact O-N 3.4Å; K263-E265 VanDerWaalsContact C-N 3.26Å; K263-E265 PolarHBondContact O-N 3.39Å; E265-R269 WeakPolarHBondContact O-CB 3.44Å; E265-R269 WeakPolarHBondContact O-CD 3.35Å; E265-R269 WeakPolarHBondContact O-CG 3.45Å; E265-R269 PolarHBondContact O-N 2.92Å; E265-R269 IonicContact OE1-CZ 3.01Å; E265-R269 IonicContact OE1-NE 2.67Å; E265-R269 PolarHBondContact OE1-NE 3.24Å; E265-R269 IonicContact OE1-NH2 3.32Å; E265-R269 PolarHBondContact OE1-NH2 3.22Å |
| 266 | L | 98 | Very high | 97.9 | Very high | 89 Ų | 89 | 98.4 Ų | 98.4 | 47% | 0.466 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.3 | -37.5 | 174.2 | -69.4 | 170.6 | 0 | 0 | 0 | 112.2 | R262 K263 R264 R269 L270 | R262-L266 HydrophobicContact CG-CD1 4.5Å; R262-L266 WeakPolarHBondContact O-CG 3.48Å; R262-L266 PolarHBondContact O-N 2.87Å; K263-L266 PolarHBondContact O-N 2.97Å; K263-L266 VanDerWaalsContact O-N 3.08Å; R264-L266 VanDerWaalsContact C-N 3.34Å; R264-L266 PolarHBondContact O-N 3.25Å; L266-R269 PolarHBondContact O-N 3.44Å; L266-L270 VanDerWaalsContact O-CB 3.3Å; L266-L270 WeakPolarHBondContact O-CB 3.36Å; L266-L270 PolarHBondContact O-N 2.96Å |
| 267 | E | 98 | Very high | 97.9 | Very high | 96 Ų | 96 | 97.6 Ų | 97.6 | 45% | 0.449 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 173.5 | -72.8 | 172.4 | 135 | 0 | 0 | 111.4 | K263 R264 L270 S271 | K263-E267 WeakPolarHBondContact CE-OE1 3.14Å; K263-E267 WeakPolarHBondContact CE-OE2 3.49Å; K263-E267 HydrophobicContact CG-CG 4.46Å; K263-E267 IonicContact NZ-OE1 3.89Å; K263-E267 PolarHBondContact NZ-OE1 3.28Å; K263-E267 IonicContact NZ-OE2 2.65Å; K263-E267 PolarHBondContact NZ-OE2 3.27Å; K263-E267 WeakPolarHBondContact O-CG 3.29Å; K263-E267 PolarHBondContact O-N 3.32Å; R264-E267 PolarHBondContact O-N 2.93Å; E267-L270 PolarHBondContact O-N 2.99Å; E267-S271 PolarHBondContact O-N 2.95Å |
| 268 | H | 98.2 | Very high | 97.9 | Very high | 133 Ų | 133 | 97 Ų | 97 | 62% | 0.616 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68.9 | -38.9 | 174.2 | -75.7 | -56.3 | 0 | 0 | 0 | 113.7 | R264 L270 S271 A272 | R264-H268 WeakPolarHBondContact O-CB 3.44Å; R264-H268 PolarHBondContact O-CD2 2.78Å; R264-H268 PolarHBondContact O-N 2.95Å; H268-L270 VanDerWaalsContact C-N 3.3Å; H268-S271 PolarHBondContact O-N 3.3Å; H268-S271 PolarHBondContact O-OG 3.43Å; H268-A272 WeakPolarHBondContact O-CB 3.49Å; H268-A272 PolarHBondContact O-N 2.7Å |
| 269 | R | 98.3 | Very high | 97.9 | Very high | 136 Ų | 136 | 96.7 Ų | 96.7 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 172.3 | -74.3 | 161.3 | 177.2 | -103 | 3.8 | 110.6 | E265 L266 T273 | E265-R269 WeakPolarHBondContact O-CB 3.44Å; E265-R269 WeakPolarHBondContact O-CD 3.35Å; E265-R269 WeakPolarHBondContact O-CG 3.45Å; E265-R269 PolarHBondContact O-N 2.92Å; E265-R269 IonicContact OE1-CZ 3.01Å; E265-R269 IonicContact OE1-NE 2.67Å; E265-R269 PolarHBondContact OE1-NE 3.24Å; E265-R269 IonicContact OE1-NH2 3.32Å; E265-R269 PolarHBondContact OE1-NH2 3.22Å; L266-R269 PolarHBondContact O-N 3.44Å; R269-T273 PolarHBondContact O-N 3.46Å; R269-T273 PolarHBondContact O-OG1 2.65Å |
| 270 | L | 97.7 | Very high | 97.9 | Very high | 104 Ų | 104 | 96.4 Ų | 96.4 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.2 | -42.8 | 178.5 | -173.4 | 144.8 | 0 | 0 | 0 | 111.7 | L266 E267 H268 T273 L274 | L266-L270 VanDerWaalsContact O-CB 3.3Å; L266-L270 WeakPolarHBondContact O-CB 3.36Å; L266-L270 PolarHBondContact O-N 2.96Å; E267-L270 PolarHBondContact O-N 2.99Å; H268-L270 VanDerWaalsContact C-N 3.3Å; L270-T273 WeakPolarHBondContact CA-OG1 3.5Å; L270-T273 PolarHBondContact O-N 2.89Å; L270-T273 PolarHBondContact O-OG1 2.68Å; L270-L274 HydrophobicContact CD2-CD1 3.66Å; L270-L274 HydrophobicContact CD2-CG 4.22Å; L270-L274 WeakPolarHBondContact O-CG 3.49Å; L270-L274 PolarHBondContact O-N 2.92Å |
| 271 | S | 97.8 | Very high | 97.8 | Very high | 42 Ų | 42 | 100.1 Ų | 100.1 | 29% | 0.294 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 175.8 | 76.4 | 0 | 0 | 0 | 0 | 112 | E267 H268 T273 L274 E275 | E267-S271 PolarHBondContact O-N 2.95Å; H268-S271 PolarHBondContact O-N 3.3Å; H268-S271 PolarHBondContact O-OG 3.43Å; S271-T273 VanDerWaalsContact C-N 3.34Å; S271-T273 PolarHBondContact O-N 3.06Å; S271-L274 WeakPolarHBondContact O-CB 3.48Å; S271-L274 PolarHBondContact O-N 3.4Å; S271-E275 WeakPolarHBondContact O-CG 3.34Å; S271-E275 PolarHBondContact O-N 3.13Å |
| 272 | A | 98.1 | Very high | 97.8 | Very high | 41 Ų | 41 | 97.5 Ų | 97.5 | 34% | 0.339 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.5 | -43.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H268 L274 E275 E276 | H268-A272 WeakPolarHBondContact O-CB 3.49Å; H268-A272 PolarHBondContact O-N 2.7Å; A272-L274 VanDerWaalsContact C-N 3.27Å; A272-L274 PolarHBondContact O-N 3.34Å; A272-E275 PolarHBondContact O-N 2.71Å; A272-E276 WeakPolarHBondContact O-CG 3.47Å; A272-E276 PolarHBondContact O-N 2.97Å |
| 273 | T | 97.3 | Very high | 97.8 | Very high | 66 Ų | 66 | 95 Ų | 95 | 41% | 0.405 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.1 | -21.6 | 175.3 | 54.1 | 0 | 0 | 0 | 0 | 114 | R269 L270 S271 N277 | R269-T273 PolarHBondContact O-N 3.46Å; R269-T273 PolarHBondContact O-OG1 2.65Å; L270-T273 WeakPolarHBondContact CA-OG1 3.5Å; L270-T273 PolarHBondContact O-N 2.89Å; L270-T273 PolarHBondContact O-OG1 2.68Å; S271-T273 VanDerWaalsContact C-N 3.34Å; S271-T273 PolarHBondContact O-N 3.06Å; T273-N277 PolarHBondContact O-N 3.44Å; T273-N277 PolarHBondContact O-ND2 2.85Å |
| 274 | L | 97.5 | Very high | 97.7 | Very high | 95 Ų | 95 | 92.7 Ų | 92.7 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -76.7 | -45.2 | 170.3 | -71.5 | 174.5 | 0 | 0 | 0 | 110.8 | L270 S271 A272 E276 N277 D278 | L270-L274 HydrophobicContact CD2-CD1 3.66Å; L270-L274 HydrophobicContact CD2-CG 4.22Å; L270-L274 WeakPolarHBondContact O-CG 3.49Å; L270-L274 PolarHBondContact O-N 2.92Å; S271-L274 WeakPolarHBondContact O-CB 3.48Å; S271-L274 PolarHBondContact O-N 3.4Å; A272-L274 VanDerWaalsContact C-N 3.27Å; A272-L274 PolarHBondContact O-N 3.34Å; L274-E276 VanDerWaalsContact C-N 3.27Å; L274-E276 PolarHBondContact O-N 2.92Å; L274-N277 CarbonylContact O-C 3.45Å; L274-N277 WeakPolarHBondContact O-CA 3.31Å; L274-N277 WeakPolarHBondContact O-CB 3.36Å; L274-N277 PolarHBondContact O-N 3.12Å; L274-D278 PolarHBondContact O-N 3.32Å |
| 275 | E | 97.8 | Very high | 97.7 | Very high | 119 Ų | 119 | 91.6 Ų | 91.6 | 56% | 0.556 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -57.4 | -40.3 | 173.6 | -68.3 | 163.1 | -139.9 | 0 | 0 | 111.4 | S271 A272 D278 L279 | S271-E275 WeakPolarHBondContact O-CG 3.34Å; S271-E275 PolarHBondContact O-N 3.13Å; A272-E275 PolarHBondContact O-N 2.71Å; E275-D278 PolarHBondContact O-N 3.12Å; E275-L279 WeakPolarHBondContact O-CB 3.29Å; E275-L279 VanDerWaalsContact O-CG 3.27Å; E275-L279 WeakPolarHBondContact O-CG 3.42Å; E275-L279 PolarHBondContact O-N 2.77Å |
| 276 | E | 97.6 | Very high | 97.7 | Very high | 116 Ų | 116 | 95 Ų | 95 | 54% | 0.542 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.9 | -37.1 | 171.6 | -73.3 | 175.3 | 170.7 | 0 | 0 | 112.9 | A272 L274 L280 | A272-E276 WeakPolarHBondContact O-CG 3.47Å; A272-E276 PolarHBondContact O-N 2.97Å; L274-E276 VanDerWaalsContact C-N 3.27Å; L274-E276 PolarHBondContact O-N 2.92Å; E276-L280 WeakPolarHBondContact O-CB 3.49Å; E276-L280 VanDerWaalsContact O-CG 3.24Å; E276-L280 WeakPolarHBondContact O-CG 3.44Å; E276-L280 PolarHBondContact O-N 2.9Å |
| 277 | N | 97.4 | Very high | 97.6 | Very high | 97 Ų | 97 | 95.6 Ų | 95.6 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71 | -39.9 | 175.2 | -90.3 | -90.9 | 0 | 0 | 0 | 112.3 | T273 L274 L279 L280 Q281 | T273-N277 PolarHBondContact O-N 3.44Å; T273-N277 PolarHBondContact O-ND2 2.85Å; L274-N277 CarbonylContact O-C 3.45Å; L274-N277 WeakPolarHBondContact O-CA 3.31Å; L274-N277 WeakPolarHBondContact O-CB 3.36Å; L274-N277 PolarHBondContact O-N 3.12Å; N277-L279 VanDerWaalsContact C-N 3.33Å; N277-L280 PolarHBondContact O-N 3.48Å; N277-Q281 WeakPolarHBondContact O-CB 3.48Å; N277-Q281 PolarHBondContact O-N 3.47Å |
| 278 | D | 97.6 | Very high | 97.5 | Very high | 106 Ų | 106 | 96.5 Ų | 96.5 | 57% | 0.567 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.6 | -40.9 | 176.2 | -69.2 | -21.3 | 0 | 0 | 0 | 110.6 | L274 E275 Q281 G282 | L274-D278 PolarHBondContact O-N 3.32Å; E275-D278 PolarHBondContact O-N 3.12Å; D278-Q281 PolarHBondContact O-N 3.4Å; D278-G282 PolarHBondContact O-N 3.4Å |
| 279 | L | 97.9 | Very high | 97.5 | Very high | 129 Ų | 129 | 95.2 Ų | 95.2 | 68% | 0.675 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.2 | -45.7 | 172.1 | -73.6 | 171.6 | 0 | 0 | 0 | 112 | E275 N277 G282 T283 | E275-L279 WeakPolarHBondContact O-CB 3.29Å; E275-L279 VanDerWaalsContact O-CG 3.27Å; E275-L279 WeakPolarHBondContact O-CG 3.42Å; E275-L279 PolarHBondContact O-N 2.77Å; N277-L279 VanDerWaalsContact C-N 3.33Å; L279-G282 PolarHBondContact O-N 2.88Å; L279-T283 PolarHBondContact O-N 2.9Å |
| 280 | L | 97.2 | Very high | 97.5 | Very high | 105 Ų | 105 | 96.8 Ų | 96.8 | 55% | 0.55 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 176.4 | -75.7 | 169.3 | 0 | 0 | 0 | 111.6 | E276 N277 G282 T283 V284 | E276-L280 WeakPolarHBondContact O-CB 3.49Å; E276-L280 VanDerWaalsContact O-CG 3.24Å; E276-L280 WeakPolarHBondContact O-CG 3.44Å; E276-L280 PolarHBondContact O-N 2.9Å; N277-L280 PolarHBondContact O-N 3.48Å; L280-G282 VanDerWaalsContact C-N 3.34Å; L280-G282 PolarHBondContact O-N 2.69Å; L280-T283 PolarHBondContact O-N 3.46Å; L280-T283 PolarHBondContact O-OG1 3.36Å; L280-V284 WeakPolarHBondContact O-CG2 3.45Å; L280-V284 PolarHBondContact O-N 3.19Å |
| 281 | Q | 97.4 | Very high | 97.5 | Very high | 113 Ų | 113 | 95.3 Ų | 95.3 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 174.8 | -170.5 | -177.8 | -53.6 | 0 | 0 | 110.7 | N277 D278 T283 V284 E285 | N277-Q281 WeakPolarHBondContact O-CB 3.48Å; N277-Q281 PolarHBondContact O-N 3.47Å; D278-Q281 PolarHBondContact O-N 3.4Å; Q281-T283 VanDerWaalsContact C-N 3.35Å; Q281-T283 PolarHBondContact O-N 2.89Å; Q281-V284 CarbonylContact O-C 3.57Å; Q281-V284 WeakPolarHBondContact O-CA 3.28Å; Q281-V284 WeakPolarHBondContact O-CB 3.25Å; Q281-V284 PolarHBondContact O-N 3.07Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.28Å; Q281-E285 PolarHBondContact NE2-OE1 3.3Å; Q281-E285 WeakPolarHBondContact O-CG 3.49Å; Q281-E285 PolarHBondContact O-N 3.39Å |
| 282 | G | 97.6 | Very high | 97.4 | Very high | 29 Ų | 29 | 97.1 Ų | 97.1 | 30% | 0.299 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -55.4 | -45.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.8 | D278 L279 L280 V284 E285 E286 | D278-G282 PolarHBondContact O-N 3.4Å; L279-G282 PolarHBondContact O-N 2.88Å; L280-G282 VanDerWaalsContact C-N 3.34Å; L280-G282 PolarHBondContact O-N 2.69Å; G282-V284 VanDerWaalsContact C-N 3.3Å; G282-V284 PolarHBondContact O-N 2.59Å; G282-E285 PolarHBondContact O-N 2.98Å; G282-E286 WeakPolarHBondContact O-CG 3.31Å; G282-E286 PolarHBondContact O-N 3.37Å |
| 283 | T | 97.3 | Very high | 97.4 | Very high | 66 Ų | 66 | 99.7 Ų | 99.7 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67 | -29.3 | 175 | 65.4 | 0 | 0 | 0 | 0 | 113.4 | L279 L280 Q281 L287 | L279-T283 PolarHBondContact O-N 2.9Å; L280-T283 PolarHBondContact O-N 3.46Å; L280-T283 PolarHBondContact O-OG1 3.36Å; Q281-T283 VanDerWaalsContact C-N 3.35Å; Q281-T283 PolarHBondContact O-N 2.89Å; T283-L287 WeakPolarHBondContact O-CB 3.49Å; T283-L287 WeakPolarHBondContact O-CG 3.36Å; T283-L287 PolarHBondContact O-N 3.47Å |
| 284 | V | 97.7 | Very high | 97.3 | Very high | 71 Ų | 71 | 101 Ų | 101 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72 | -37.8 | 174 | 166.5 | 0 | 0 | 0 | 0 | 111 | L280 Q281 G282 L287 Q288 | L280-V284 WeakPolarHBondContact O-CG2 3.45Å; L280-V284 PolarHBondContact O-N 3.19Å; Q281-V284 CarbonylContact O-C 3.57Å; Q281-V284 WeakPolarHBondContact O-CA 3.28Å; Q281-V284 WeakPolarHBondContact O-CB 3.25Å; Q281-V284 PolarHBondContact O-N 3.07Å; G282-V284 VanDerWaalsContact C-N 3.3Å; G282-V284 PolarHBondContact O-N 2.59Å; V284-L287 PolarHBondContact O-N 2.92Å; V284-Q288 VanDerWaalsContact O-CG 3.28Å; V284-Q288 WeakPolarHBondContact O-CG 3.49Å; V284-Q288 PolarHBondContact O-N 3.41Å |
| 285 | E | 97.5 | Very high | 97.2 | Very high | 97 Ų | 97 | 101.2 Ų | 101.2 | 45% | 0.453 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 173.3 | -71.4 | 172 | -165.9 | 0 | 0 | 111.1 | Q281 G282 L287 Q288 D289 | Q281-E285 WeakPolarHBondContact CG-OE1 3.28Å; Q281-E285 PolarHBondContact NE2-OE1 3.3Å; Q281-E285 WeakPolarHBondContact O-CG 3.49Å; Q281-E285 PolarHBondContact O-N 3.39Å; G282-E285 PolarHBondContact O-N 2.98Å; E285-L287 VanDerWaalsContact C-N 3.29Å; E285-L287 PolarHBondContact O-N 2.89Å; E285-Q288 PolarHBondContact O-N 2.91Å; E285-Q288 VanDerWaalsContact O-N 3.14Å; E285-D289 PolarHBondContact O-N 2.85Å |
| 286 | E | 97.4 | Very high | 97.1 | Very high | 145 Ų | 145 | 103.8 Ų | 103.8 | 68% | 0.678 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58 | -39.3 | 171.6 | -73.2 | -176.1 | 174.4 | 0 | 0 | 112.6 | G282 R290 | G282-E286 WeakPolarHBondContact O-CG 3.31Å; G282-E286 PolarHBondContact O-N 3.37Å; E286-R290 WeakPolarHBondContact O-CB 3.41Å; E286-R290 PolarHBondContact O-N 3.5Å |
| 287 | L | 96.3 | Very high | 97.1 | Very high | 102 Ų | 102 | 102.3 Ų | 102.3 | 53% | 0.534 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.1 | -35.3 | 176 | -74.6 | 170.3 | 0 | 0 | 0 | 112.3 | T283 V284 E285 R290 V291 | T283-L287 WeakPolarHBondContact O-CB 3.49Å; T283-L287 WeakPolarHBondContact O-CG 3.36Å; T283-L287 PolarHBondContact O-N 3.47Å; V284-L287 PolarHBondContact O-N 2.92Å; E285-L287 VanDerWaalsContact C-N 3.29Å; E285-L287 PolarHBondContact O-N 2.89Å; L287-R290 PolarHBondContact O-N 3.13Å; L287-V291 WeakPolarHBondContact O-CG2 3.19Å; L287-V291 PolarHBondContact O-N 2.92Å |
| 288 | Q | 97.1 | Very high | 97 | Very high | 114 Ų | 114 | 98.9 Ų | 98.9 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.4 | -46.9 | 173.7 | -75.4 | 173.1 | 29.8 | 0 | 0 | 111.3 | V284 E285 R290 V291 L292 | V284-Q288 VanDerWaalsContact O-CG 3.28Å; V284-Q288 WeakPolarHBondContact O-CG 3.49Å; V284-Q288 PolarHBondContact O-N 3.41Å; E285-Q288 PolarHBondContact O-N 2.91Å; E285-Q288 VanDerWaalsContact O-N 3.14Å; Q288-R290 VanDerWaalsContact C-N 3.27Å; Q288-R290 PolarHBondContact O-N 3.21Å; Q288-V291 PolarHBondContact O-N 3.04Å; Q288-V291 VanDerWaalsContact O-N 3.11Å; Q288-L292 WeakPolarHBondContact O-CG 3.35Å; Q288-L292 PolarHBondContact O-N 3.3Å |
| 289 | D | 97.4 | Very high | 96.9 | Very high | 106 Ų | 106 | 99.5 Ų | 99.5 | 57% | 0.567 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.9 | -40.4 | 173.7 | -96.5 | -9.7 | 0 | 0 | 0 | 111.5 | E285 V291 L292 I293 | E285-D289 PolarHBondContact O-N 2.85Å; D289-V291 PolarHBondContact O-N 2.82Å; D289-L292 PolarHBondContact O-N 3Å; D289-I293 VanDerWaalsContact O-CG1 3.27Å; D289-I293 WeakPolarHBondContact O-CG1 3.49Å; D289-I293 PolarHBondContact O-N 3.08Å |
| 290 | R | 97.6 | Very high | 96.8 | Very high | 170 Ų | 170 | 97.6 Ų | 97.6 | 64% | 0.642 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.3 | -36.9 | 175.2 | -172.5 | 172.5 | -179 | 162.8 | -0.7 | 112.8 | E286 L287 Q288 L294 | E286-R290 WeakPolarHBondContact O-CB 3.41Å; E286-R290 PolarHBondContact O-N 3.5Å; L287-R290 PolarHBondContact O-N 3.13Å; Q288-R290 VanDerWaalsContact C-N 3.27Å; Q288-R290 PolarHBondContact O-N 3.21Å; R290-L294 HydrophobicContact CG-CD1 4.4Å; R290-L294 VanDerWaalsContact O-CG 3.29Å; R290-L294 WeakPolarHBondContact O-CG 3.33Å; R290-L294 PolarHBondContact O-N 3.4Å; R290-L294 VanDerWaalsContact O-N 3.08Å |
| 291 | V | 97.2 | Very high | 96.7 | Very high | 73 Ų | 73 | 97.9 Ų | 97.9 | 44% | 0.442 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.4 | -48.5 | 171.7 | 167.4 | 0 | 0 | 0 | 0 | 110.4 | L287 Q288 D289 I293 L294 E295 | L287-V291 WeakPolarHBondContact O-CG2 3.19Å; L287-V291 PolarHBondContact O-N 2.92Å; Q288-V291 PolarHBondContact O-N 3.04Å; Q288-V291 VanDerWaalsContact O-N 3.11Å; D289-V291 PolarHBondContact O-N 2.82Å; V291-I293 VanDerWaalsContact C-N 3.25Å; V291-I293 PolarHBondContact O-N 2.81Å; V291-L294 CarbonylContact O-C 3.4Å; V291-L294 WeakPolarHBondContact O-CA 3.47Å; V291-L294 PolarHBondContact O-N 2.98Å; V291-E295 HydrophobicContact CG1-CG 4.1Å; V291-E295 WeakPolarHBondContact O-CG 3.41Å; V291-E295 PolarHBondContact O-N 2.98Å |
| 292 | L | 97.4 | Very high | 96.6 | Very high | 79 Ų | 79 | 97 Ų | 97 | 41% | 0.414 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.6 | -36.1 | 177.2 | -70.7 | 169.5 | 0 | 0 | 0 | 112.7 | Q288 D289 R296 | Q288-L292 WeakPolarHBondContact O-CG 3.35Å; Q288-L292 PolarHBondContact O-N 3.3Å; D289-L292 PolarHBondContact O-N 3Å; L292-R296 VanDerWaalsContact O-CG 3.25Å; L292-R296 WeakPolarHBondContact O-CG 3.36Å; L292-R296 PolarHBondContact O-N 2.92Å; L292-R296 VanDerWaalsContact O-N 3.11Å |
| 293 | I | 96.9 | Very high | 96.5 | Very high | 95 Ų | 95 | 100.2 Ų | 100.2 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 173.4 | -69.8 | 164.3 | 0 | 0 | 0 | 111.2 | D289 V291 Q297 | D289-I293 VanDerWaalsContact O-CG1 3.27Å; D289-I293 WeakPolarHBondContact O-CG1 3.49Å; D289-I293 PolarHBondContact O-N 3.08Å; V291-I293 VanDerWaalsContact C-N 3.25Å; V291-I293 PolarHBondContact O-N 2.81Å; I293-Q297 VanDerWaalsContact O-CG 3.31Å; I293-Q297 WeakPolarHBondContact O-CG 3.39Å; I293-Q297 PolarHBondContact O-N 3.21Å |
| 294 | L | 95.3 | Very high | 96.4 | Very high | 95 Ų | 95 | 102.7 Ų | 102.7 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.8 | -35.4 | 177.7 | -72.7 | 169.2 | 0 | 0 | 0 | 112.6 | R290 V291 Q297 G298 | R290-L294 HydrophobicContact CG-CD1 4.4Å; R290-L294 VanDerWaalsContact O-CG 3.29Å; R290-L294 WeakPolarHBondContact O-CG 3.33Å; R290-L294 PolarHBondContact O-N 3.4Å; R290-L294 VanDerWaalsContact O-N 3.08Å; V291-L294 CarbonylContact O-C 3.4Å; V291-L294 WeakPolarHBondContact O-CA 3.47Å; V291-L294 PolarHBondContact O-N 2.98Å; L294-Q297 CarbonylContact O-C 3.5Å; L294-Q297 PolarHBondContact O-N 3.4Å; L294-G298 PolarHBondContact O-N 3.23Å |
| 295 | E | 95.7 | Very high | 96.2 | Very high | 99 Ų | 99 | 103.7 Ų | 103.7 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 173.2 | -73.1 | 175.8 | 162.9 | 0 | 0 | 111.2 | V291 Q297 G298 H299 | V291-E295 HydrophobicContact CG1-CG 4.1Å; V291-E295 WeakPolarHBondContact O-CG 3.41Å; V291-E295 PolarHBondContact O-N 2.98Å; E295-Q297 PolarHBondContact O-N 3.26Å; E295-G298 CarbonylContact O-C 3.52Å; E295-G298 WeakPolarHBondContact O-CA 3.15Å; E295-G298 PolarHBondContact O-N 3.15Å; E295-H299 PolarHBondContact O-N 2.95Å |
| 296 | R | 96.6 | Very high | 96.1 | Very high | 173 Ų | 173 | 104.7 Ų | 104.7 | 65% | 0.653 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.8 | -46.6 | 172.1 | -71.7 | 172.6 | -168.1 | -153.2 | 6.7 | 111.7 | L292 G298 H299 D300 | L292-R296 VanDerWaalsContact O-CG 3.25Å; L292-R296 WeakPolarHBondContact O-CG 3.36Å; L292-R296 PolarHBondContact O-N 2.92Å; L292-R296 VanDerWaalsContact O-N 3.11Å; R296-G298 PolarHBondContact O-N 3.03Å; R296-H299 PolarHBondContact O-N 3.2Å; R296-D300 WeakPolarHBondContact O-CB 3.34Å; R296-D300 VanDerWaalsContact O-CG 3.29Å; R296-D300 PolarHBondContact O-N 2.98Å |
| 297 | Q | 96 | Very high | 95.9 | Very high | 85 Ų | 85 | 103 Ų | 103 | 40% | 0.397 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.2 | -24.7 | 174.1 | -72.2 | 178.2 | 23.4 | 0 | 0 | 113.5 | I293 L294 E295 K301 | I293-Q297 VanDerWaalsContact O-CG 3.31Å; I293-Q297 WeakPolarHBondContact O-CG 3.39Å; I293-Q297 PolarHBondContact O-N 3.21Å; L294-Q297 CarbonylContact O-C 3.5Å; L294-Q297 PolarHBondContact O-N 3.4Å; E295-Q297 PolarHBondContact O-N 3.26Å; Q297-K301 WeakPolarHBondContact O-CB 3.12Å; Q297-K301 WeakPolarHBondContact O-CD 3.36Å; Q297-K301 WeakPolarHBondContact O-CG 3.43Å; Q297-K301 PolarHBondContact O-N 2.92Å |
| 298 | G | 95.4 | Very high | 95.6 | Very high | 25 Ų | 25 | 100.1 Ų | 100.1 | 26% | 0.258 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.2 | -57.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L294 E295 R296 D300 K301 D302 | L294-G298 PolarHBondContact O-N 3.23Å; E295-G298 CarbonylContact O-C 3.52Å; E295-G298 WeakPolarHBondContact O-CA 3.15Å; E295-G298 PolarHBondContact O-N 3.15Å; R296-G298 PolarHBondContact O-N 3.03Å; G298-D300 VanDerWaalsContact C-N 3.32Å; G298-D300 PolarHBondContact O-N 3.27Å; G298-K301 CarbonylContact O-C 3.6Å; G298-K301 WeakPolarHBondContact O-CA 3.42Å; G298-K301 WeakPolarHBondContact O-CB 3.36Å; G298-K301 PolarHBondContact O-N 2.78Å; G298-D302 PolarHBondContact O-N 2.97Å |
| 299 | H | 95.6 | Very high | 95.5 | Very high | 119 Ų | 119 | 100.3 Ų | 100.3 | 55% | 0.551 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58.7 | -38.7 | 177.7 | -64.2 | -28.8 | 0 | 0 | 0 | 113.5 | E295 R296 K301 D302 L303 | E295-H299 PolarHBondContact O-N 2.95Å; R296-H299 PolarHBondContact O-N 3.2Å; H299-K301 VanDerWaalsContact C-N 3.32Å; H299-K301 PolarHBondContact O-N 2.75Å; H299-D302 IonicContact ND1-OD2 3.91Å; H299-D302 PolarHBondContact O-N 3.3Å; H299-L303 WeakPolarHBondContact O-CB 3.38Å; H299-L303 VanDerWaalsContact O-CG 3.25Å; H299-L303 WeakPolarHBondContact O-CG 3.48Å; H299-L303 PolarHBondContact O-N 3.3Å |
| 300 | D | 96.3 | Very high | 95.3 | Very high | 89 Ų | 89 | 99.1 Ų | 99.1 | 48% | 0.476 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 174.2 | -71.2 | -29.7 | 0 | 0 | 0 | 111.6 | R296 G298 Q304 | R296-D300 WeakPolarHBondContact O-CB 3.34Å; R296-D300 VanDerWaalsContact O-CG 3.29Å; R296-D300 PolarHBondContact O-N 2.98Å; G298-D300 VanDerWaalsContact C-N 3.32Å; G298-D300 PolarHBondContact O-N 3.27Å; D300-Q304 VanDerWaalsContact O-CG 3.23Å; D300-Q304 WeakPolarHBondContact O-CG 3.47Å; D300-Q304 PolarHBondContact O-N 2.91Å |
| 301 | K | 95.1 | Very high | 95.1 | Very high | 110 Ų | 110 | 96.8 Ų | 96.8 | 48% | 0.478 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -72 | -38.8 | 173.8 | -72.3 | 164 | -167 | 154.3 | 0 | 111.9 | Q297 G298 H299 L303 Q304 L305 | Q297-K301 WeakPolarHBondContact O-CB 3.12Å; Q297-K301 WeakPolarHBondContact O-CD 3.36Å; Q297-K301 WeakPolarHBondContact O-CG 3.43Å; Q297-K301 PolarHBondContact O-N 2.92Å; G298-K301 CarbonylContact O-C 3.6Å; G298-K301 WeakPolarHBondContact O-CA 3.42Å; G298-K301 WeakPolarHBondContact O-CB 3.36Å; G298-K301 PolarHBondContact O-N 2.78Å; H299-K301 VanDerWaalsContact C-N 3.32Å; H299-K301 PolarHBondContact O-N 2.75Å; K301-L303 VanDerWaalsContact C-N 3.29Å; K301-L303 PolarHBondContact O-N 2.92Å; K301-Q304 PolarHBondContact O-N 3.24Å; K301-L305 WeakPolarHBondContact O-CB 3.48Å; K301-L305 VanDerWaalsContact O-CG 3.28Å; K301-L305 WeakPolarHBondContact O-CG 3.5Å; K301-L305 PolarHBondContact O-N 2.74Å |
| 302 | D | 95.3 | Very high | 94.8 | Very high | 94 Ų | 94 | 97.5 Ų | 97.5 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 175.1 | -65.4 | -34.3 | 0 | 0 | 0 | 110.9 | G298 H299 L305 H306 | G298-D302 PolarHBondContact O-N 2.97Å; H299-D302 IonicContact ND1-OD2 3.91Å; H299-D302 PolarHBondContact O-N 3.3Å; D302-L305 PolarHBondContact O-N 3.35Å; D302-H306 WeakPolarHBondContact O-CB 3.36Å; D302-H306 PolarHBondContact O-N 3.14Å |
| 303 | L | 95.3 | Very high | 94.5 | Very high | 98 Ų | 98 | 99.1 Ų | 99.1 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 172.7 | -73.3 | 168.1 | 0 | 0 | 0 | 112.1 | H299 K301 H306 Q307 | H299-L303 WeakPolarHBondContact O-CB 3.38Å; H299-L303 VanDerWaalsContact O-CG 3.25Å; H299-L303 WeakPolarHBondContact O-CG 3.48Å; H299-L303 PolarHBondContact O-N 3.3Å; K301-L303 VanDerWaalsContact C-N 3.29Å; K301-L303 PolarHBondContact O-N 2.92Å; L303-H306 PolarHBondContact O-N 3.36Å; L303-Q307 WeakPolarHBondContact O-CB 3.26Å; L303-Q307 VanDerWaalsContact O-CG 3.27Å; L303-Q307 WeakPolarHBondContact O-CG 3.48Å; L303-Q307 PolarHBondContact O-N 2.91Å |
| 304 | Q | 95.8 | Very high | 94.2 | Very high | 117 Ų | 117 | 101.1 Ų | 101.1 | 55% | 0.547 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 173.6 | -72.5 | 166 | 21.2 | 0 | 0 | 112.2 | D300 K301 S308 | D300-Q304 VanDerWaalsContact O-CG 3.23Å; D300-Q304 WeakPolarHBondContact O-CG 3.47Å; D300-Q304 PolarHBondContact O-N 2.91Å; K301-Q304 PolarHBondContact O-N 3.24Å; Q304-S308 WeakPolarHBondContact O-CB 3.43Å; Q304-S308 PolarHBondContact O-N 2.85Å; Q304-S308 PolarHBondContact O-OG 3.44Å |
| 305 | L | 92.9 | Very high | 94 | Very high | 93 Ų | 93 | 100.3 Ų | 100.3 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 172.1 | -74.7 | 171.6 | 0 | 0 | 0 | 110.3 | K301 D302 S308 H309 | K301-L305 WeakPolarHBondContact O-CB 3.48Å; K301-L305 VanDerWaalsContact O-CG 3.28Å; K301-L305 WeakPolarHBondContact O-CG 3.5Å; K301-L305 PolarHBondContact O-N 2.74Å; D302-L305 PolarHBondContact O-N 3.35Å; L305-S308 WeakPolarHBondContact CA-OG 3.25Å; L305-S308 PolarHBondContact O-N 3.42Å; L305-S308 PolarHBondContact O-OG 3.12Å; L305-S308 VanDerWaalsContact O-OG 3.09Å; L305-H309 WeakPolarHBondContact O-CB 3.24Å; L305-H309 PolarHBondContact O-N 3.48Å; L305-H309 PolarHBondContact O-ND1 2.68Å |
| 306 | H | 95.1 | Very high | 93.7 | Very high | 117 Ų | 117 | 103.4 Ų | 103.4 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 176.7 | -169.9 | 70.7 | 0 | 0 | 0 | 112.2 | D302 L303 H309 L310 | D302-H306 WeakPolarHBondContact O-CB 3.36Å; D302-H306 PolarHBondContact O-N 3.14Å; L303-H306 PolarHBondContact O-N 3.36Å; H306-H309 PolarHBondContact O-N 2.82Å; H306-L310 WeakPolarHBondContact O-CG 3.36Å; H306-L310 PolarHBondContact O-N 3.38Å |
| 307 | Q | 94.2 | Very high | 93.4 | Very high | 111 Ų | 111 | 98.7 Ų | 98.7 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.4 | -52.6 | 174.2 | -74.1 | 166.6 | 0.4 | 0 | 0 | 111.2 | L303 H309 L310 E311 | L303-Q307 WeakPolarHBondContact O-CB 3.26Å; L303-Q307 VanDerWaalsContact O-CG 3.27Å; L303-Q307 WeakPolarHBondContact O-CG 3.48Å; L303-Q307 PolarHBondContact O-N 2.91Å; Q307-H309 VanDerWaalsContact C-N 3.28Å; Q307-H309 PolarHBondContact O-N 2.85Å; Q307-L310 WeakPolarHBondContact O-CB 3.35Å; Q307-L310 PolarHBondContact O-N 2.86Å; Q307-E311 WeakPolarHBondContact O-CG 3.46Å; Q307-E311 PolarHBondContact O-N 3.24Å |
| 308 | S | 90.3 | Very high | 92.9 | Very high | 41 Ų | 41 | 96.9 Ų | 96.9 | 29% | 0.287 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.8 | -25.9 | 177.6 | 55.2 | 0 | 0 | 0 | 0 | 113.5 | Q304 L305 L312 | Q304-S308 WeakPolarHBondContact O-CB 3.43Å; Q304-S308 PolarHBondContact O-N 2.85Å; Q304-S308 PolarHBondContact O-OG 3.44Å; L305-S308 WeakPolarHBondContact CA-OG 3.25Å; L305-S308 PolarHBondContact O-N 3.42Å; L305-S308 PolarHBondContact O-OG 3.12Å; L305-S308 VanDerWaalsContact O-OG 3.09Å; S308-L312 WeakPolarHBondContact O-CB 3.49Å; S308-L312 WeakPolarHBondContact O-CD1 3.17Å; S308-L312 WeakPolarHBondContact O-CG 3.48Å; S308-L312 PolarHBondContact O-N 3.21Å |
| 309 | H | 93.4 | Very high | 92.2 | Very high | 118 Ų | 118 | 98.9 Ų | 98.9 | 55% | 0.546 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.8 | -38.2 | 169.2 | -82.9 | 70.4 | 0 | 0 | 0 | 112.5 | L305 H306 Q307 Q313 | L305-H309 WeakPolarHBondContact O-CB 3.24Å; L305-H309 PolarHBondContact O-N 3.48Å; L305-H309 PolarHBondContact O-ND1 2.68Å; H306-H309 PolarHBondContact O-N 2.82Å; Q307-H309 VanDerWaalsContact C-N 3.28Å; Q307-H309 PolarHBondContact O-N 2.85Å; H309-Q313 WeakPolarHBondContact O-CB 3.49Å; H309-Q313 PolarHBondContact O-N 2.94Å |
| 310 | L | 93.9 | Very high | 91.7 | Very high | 81 Ų | 81 | 100.8 Ų | 100.8 | 42% | 0.424 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.6 | -46.6 | 173.4 | -68.6 | 171.7 | 0 | 0 | 0 | 110.9 | H306 Q307 L312 Q313 E314 | H306-L310 WeakPolarHBondContact O-CG 3.36Å; H306-L310 PolarHBondContact O-N 3.38Å; Q307-L310 WeakPolarHBondContact O-CB 3.35Å; Q307-L310 PolarHBondContact O-N 2.86Å; L310-L312 VanDerWaalsContact C-N 3.35Å; L310-L312 PolarHBondContact O-N 3.38Å; L310-Q313 CarbonylContact O-C 3.55Å; L310-Q313 WeakPolarHBondContact O-CA 3.23Å; L310-Q313 WeakPolarHBondContact O-CB 3.42Å; L310-Q313 PolarHBondContact O-N 2.94Å; L310-E314 PolarHBondContact O-N 3.36Å |
| 311 | E | 92.8 | Very high | 91.1 | Very high | 121 Ų | 121 | 102.5 Ų | 102.5 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.4 | -44.8 | 173.3 | -68.9 | 173.3 | 178 | 0 | 0 | 111.4 | Q307 Q313 E314 V315 | Q307-E311 WeakPolarHBondContact O-CG 3.46Å; Q307-E311 PolarHBondContact O-N 3.24Å; E311-Q313 VanDerWaalsContact C-N 3.27Å; E311-Q313 PolarHBondContact O-N 3.34Å; E311-E314 PolarHBondContact O-N 2.76Å; E311-V315 WeakPolarHBondContact O-CB 3.33Å; E311-V315 VanDerWaalsContact O-CG2 3.29Å; E311-V315 WeakPolarHBondContact O-CG2 3.16Å; E311-V315 PolarHBondContact O-N 2.9Å |
| 312 | L | 91.8 | Very high | 90.3 | Very high | 87 Ų | 87 | 102.1 Ų | 102.1 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -30.3 | 173.5 | -78.1 | 169.1 | 0 | 0 | 0 | 112.4 | S308 L310 R316 | S308-L312 WeakPolarHBondContact O-CB 3.49Å; S308-L312 WeakPolarHBondContact O-CD1 3.17Å; S308-L312 WeakPolarHBondContact O-CG 3.48Å; S308-L312 PolarHBondContact O-N 3.21Å; L310-L312 VanDerWaalsContact C-N 3.35Å; L310-L312 PolarHBondContact O-N 3.38Å; L312-R316 WeakPolarHBondContact O-CB 3.45Å; L312-R316 VanDerWaalsContact O-CD 3.26Å; L312-R316 WeakPolarHBondContact O-CD 3.23Å; L312-R316 WeakPolarHBondContact O-CG 3.43Å; L312-R316 PolarHBondContact O-N 3.42Å |
| 313 | Q | 91.1 | Very high | 89.6 | Confident | 113 Ų | 113 | 102.6 Ų | 102.6 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.9 | -43.2 | 173.7 | 178.8 | 171.8 | -30.9 | 0 | 0 | 111.3 | H309 L310 E311 R316 L317 | H309-Q313 WeakPolarHBondContact O-CB 3.49Å; H309-Q313 PolarHBondContact O-N 2.94Å; L310-Q313 CarbonylContact O-C 3.55Å; L310-Q313 WeakPolarHBondContact O-CA 3.23Å; L310-Q313 WeakPolarHBondContact O-CB 3.42Å; L310-Q313 PolarHBondContact O-N 2.94Å; E311-Q313 VanDerWaalsContact C-N 3.27Å; E311-Q313 PolarHBondContact O-N 3.34Å; Q313-R316 PolarHBondContact O-N 3.43Å; Q313-L317 HydrophobicContact CG-CD1 4.26Å; Q313-L317 WeakPolarHBondContact O-CB 3.5Å; Q313-L317 VanDerWaalsContact O-CG 3.28Å; Q313-L317 WeakPolarHBondContact O-CG 3.33Å; Q313-L317 PolarHBondContact O-N 3.5Å |
| 314 | E | 90.8 | Very high | 88.8 | Confident | 137 Ų | 137 | 101.4 Ų | 101.4 | 64% | 0.64 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.2 | -45.8 | 173.9 | -71 | -176 | -179 | 0 | 0 | 111.5 | L310 E311 R316 L317 S318 | L310-E314 PolarHBondContact O-N 3.36Å; E311-E314 PolarHBondContact O-N 2.76Å; E314-R316 VanDerWaalsContact C-N 3.34Å; E314-R316 PolarHBondContact O-N 2.86Å; E314-L317 CarbonylContact O-C 3.54Å; E314-L317 PolarHBondContact O-N 3.4Å; E314-L317 VanDerWaalsContact O-N 3.11Å; E314-S318 PolarHBondContact O-N 3.13Å; E314-S318 PolarHBondContact O-OG 2.8Å |
| 315 | V | 89.8 | Confident | 87.8 | Confident | 79 Ų | 79 | 101.5 Ų | 101.5 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -37 | 173.5 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | E311 L317 S318 C319 | E311-V315 WeakPolarHBondContact O-CB 3.33Å; E311-V315 VanDerWaalsContact O-CG2 3.29Å; E311-V315 WeakPolarHBondContact O-CG2 3.16Å; E311-V315 PolarHBondContact O-N 2.9Å; V315-L317 VanDerWaalsContact C-N 3.33Å; V315-L317 PolarHBondContact O-N 3.49Å; V315-S318 WeakPolarHBondContact CA-OG 3.35Å; V315-S318 PolarHBondContact O-N 3.31Å; V315-S318 PolarHBondContact O-OG 2.67Å; V315-C319 WeakPolarHBondContact O-CB 3.46Å; V315-C319 PolarHBondContact O-N 3.47Å; V315-C319 PolarHBondContact O-SG 3.25Å |
| 316 | R | 91.4 | Very high | 87 | Confident | 163 Ų | 163 | 100.9 Ų | 100.9 | 62% | 0.615 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.9 | -32.8 | 171.7 | -78.7 | 164.7 | 179.8 | 179.1 | 0.3 | 112.2 | L312 Q313 E314 R320 | L312-R316 WeakPolarHBondContact O-CB 3.45Å; L312-R316 VanDerWaalsContact O-CD 3.26Å; L312-R316 WeakPolarHBondContact O-CD 3.23Å; L312-R316 WeakPolarHBondContact O-CG 3.43Å; L312-R316 PolarHBondContact O-N 3.42Å; Q313-R316 PolarHBondContact O-N 3.43Å; E314-R316 VanDerWaalsContact C-N 3.34Å; E314-R316 PolarHBondContact O-N 2.86Å; R316-R320 WeakPolarHBondContact O-CB 3.32Å; R316-R320 WeakPolarHBondContact O-CG 3.2Å; R316-R320 PolarHBondContact O-N 3.05Å |
| 317 | L | 89.6 | Confident | 85.7 | Confident | 75 Ų | 75 | 99.2 Ų | 99.2 | 39% | 0.393 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74.2 | -40.4 | 175.3 | -72.4 | 168.5 | 0 | 0 | 0 | 111.7 | Q313 E314 V315 R320 Q321 | Q313-L317 HydrophobicContact CG-CD1 4.26Å; Q313-L317 WeakPolarHBondContact O-CB 3.5Å; Q313-L317 VanDerWaalsContact O-CG 3.28Å; Q313-L317 WeakPolarHBondContact O-CG 3.33Å; Q313-L317 PolarHBondContact O-N 3.5Å; E314-L317 CarbonylContact O-C 3.54Å; E314-L317 PolarHBondContact O-N 3.4Å; E314-L317 VanDerWaalsContact O-N 3.11Å; V315-L317 VanDerWaalsContact C-N 3.33Å; V315-L317 PolarHBondContact O-N 3.49Å; L317-R320 WeakPolarHBondContact O-CB 3.32Å; L317-R320 PolarHBondContact O-N 3.32Å; L317-Q321 VanDerWaalsContact O-CG 3.28Å; L317-Q321 WeakPolarHBondContact O-CG 3.34Å; L317-Q321 PolarHBondContact O-N 3.37Å |
| 318 | S | 85.9 | Confident | 84.6 | Confident | 47 Ų | 47 | 98.9 Ų | 98.9 | 33% | 0.329 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.4 | -36.9 | 173.8 | 71.5 | 0 | 0 | 0 | 0 | 111.8 | E314 V315 R320 Q321 L322 | E314-S318 PolarHBondContact O-N 3.13Å; E314-S318 PolarHBondContact O-OG 2.8Å; V315-S318 WeakPolarHBondContact CA-OG 3.35Å; V315-S318 PolarHBondContact O-N 3.31Å; V315-S318 PolarHBondContact O-OG 2.67Å; S318-R320 VanDerWaalsContact C-N 3.34Å; S318-Q321 PolarHBondContact O-N 2.84Å; S318-L322 WeakPolarHBondContact O-CB 3.34Å; S318-L322 WeakPolarHBondContact O-CG 3.32Å; S318-L322 PolarHBondContact O-N 3.49Å |
| 319 | C | 80.9 | Confident | 83.2 | Confident | 66 Ų | 66 | 101.9 Ų | 101.9 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -34.1 | 168.9 | -75.4 | 0 | 0 | 0 | 0 | 112 | V315 Q323 | V315-C319 WeakPolarHBondContact O-CB 3.46Å; V315-C319 PolarHBondContact O-N 3.47Å; V315-C319 PolarHBondContact O-SG 3.25Å; C319-Q323 WeakPolarHBondContact O-CA 3.4Å; C319-Q323 WeakPolarHBondContact O-CB 3.43Å; C319-Q323 PolarHBondContact O-N 2.85Å |
| 320 | R | 84.7 | Confident | 81.7 | Confident | 160 Ų | 160 | 99 Ų | 99 | 60% | 0.604 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.2 | -37.2 | 169.6 | -79.7 | 168.5 | 179.7 | 175 | -0.2 | 112.4 | R316 L317 S318 Q323 V324 | R316-R320 WeakPolarHBondContact O-CB 3.32Å; R316-R320 WeakPolarHBondContact O-CG 3.2Å; R316-R320 PolarHBondContact O-N 3.05Å; L317-R320 WeakPolarHBondContact O-CB 3.32Å; L317-R320 PolarHBondContact O-N 3.32Å; S318-R320 VanDerWaalsContact C-N 3.34Å; R320-Q323 PolarHBondContact O-N 3.01Å; R320-V324 WeakPolarHBondContact O-CB 3.4Å; R320-V324 WeakPolarHBondContact O-CG2 3.42Å; R320-V324 PolarHBondContact O-N 3.38Å |
| 321 | Q | 83.1 | Confident | 79.9 | Confident | 124 Ų | 124 | 101.7 Ų | 101.7 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.7 | -37.2 | 175.2 | -70.1 | 164.7 | 11.5 | 0 | 0 | 112.2 | L317 S318 K325 | L317-Q321 VanDerWaalsContact O-CG 3.28Å; L317-Q321 WeakPolarHBondContact O-CG 3.34Å; L317-Q321 PolarHBondContact O-N 3.37Å; S318-Q321 PolarHBondContact O-N 2.84Å; Q321-K325 WeakPolarHBondContact O-CG 3.3Å; Q321-K325 PolarHBondContact O-N 3Å |
| 322 | L | 77.3 | Confident | 78 | Confident | 102 Ų | 102 | 103.2 Ų | 103.2 | 53% | 0.534 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.6 | -33.7 | 171.4 | -72.6 | 171.4 | 0 | 0 | 0 | 111.3 | S318 K325 V326 | S318-L322 WeakPolarHBondContact O-CB 3.34Å; S318-L322 WeakPolarHBondContact O-CG 3.32Å; S318-L322 PolarHBondContact O-N 3.49Å; L322-K325 CarbonylContact O-C 3.57Å; L322-K325 PolarHBondContact O-N 3.13Å; L322-V326 WeakPolarHBondContact O-CB 3.44Å; L322-V326 VanDerWaalsContact O-CG2 3.27Å; L322-V326 WeakPolarHBondContact O-CG2 3.31Å; L322-V326 PolarHBondContact O-N 2.96Å |
| 323 | Q | 81.4 | Confident | 76 | Confident | 104 Ų | 104 | 108 Ų | 108 | 49% | 0.486 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.9 | -43.2 | 172.5 | 178.8 | 173.8 | -14.2 | 0 | 0 | 110.4 | C319 R320 K325 V326 E327 | C319-Q323 WeakPolarHBondContact O-CA 3.4Å; C319-Q323 WeakPolarHBondContact O-CB 3.43Å; C319-Q323 PolarHBondContact O-N 2.85Å; R320-Q323 PolarHBondContact O-N 3.01Å; Q323-K325 VanDerWaalsContact C-N 3.28Å; Q323-K325 PolarHBondContact O-N 3.39Å; Q323-V326 CarbonylContact O-C 3.53Å; Q323-V326 WeakPolarHBondContact O-CA 3.48Å; Q323-V326 PolarHBondContact O-N 3.47Å; Q323-E327 HydrophobicContact CG-CG 4.28Å; Q323-E327 VanDerWaalsContact CG-OE1 3.28Å; Q323-E327 WeakPolarHBondContact CG-OE1 3.47Å; Q323-E327 PolarHBondContact NE2-OE1 3.46Å; Q323-E327 VanDerWaalsContact O-CB 3.31Å; Q323-E327 WeakPolarHBondContact O-CB 3.42Å; Q323-E327 VanDerWaalsContact O-CG 3.27Å; Q323-E327 WeakPolarHBondContact O-CG 3.47Å; Q323-E327 PolarHBondContact O-N 2.92Å |
| 324 | V | 78.3 | Confident | 73.8 | Confident | 73 Ų | 73 | 106.6 Ų | 106.6 | 44% | 0.442 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.2 | -39.6 | 170.7 | 167.2 | 0 | 0 | 0 | 0 | 110.8 | R320 E327 E328 | R320-V324 WeakPolarHBondContact O-CB 3.4Å; R320-V324 WeakPolarHBondContact O-CG2 3.42Å; R320-V324 PolarHBondContact O-N 3.38Å; V324-E327 CarbonylContact O-C 3.47Å; V324-E327 PolarHBondContact O-N 3.12Å; V324-E328 WeakPolarHBondContact O-CB 3.31Å; V324-E328 VanDerWaalsContact O-CG 3.28Å; V324-E328 WeakPolarHBondContact O-CG 3.31Å; V324-E328 PolarHBondContact O-N 2.99Å |
| 325 | K | 75.8 | Confident | 71.7 | Confident | 119 Ų | 119 | 107.6 Ų | 107.6 | 52% | 0.517 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.2 | -30.7 | 172.6 | -73.6 | 171.2 | 179.1 | 178.9 | 0 | 114 | Q321 L322 Q323 E328 L329 | Q321-K325 WeakPolarHBondContact O-CG 3.3Å; Q321-K325 PolarHBondContact O-N 3Å; L322-K325 CarbonylContact O-C 3.57Å; L322-K325 PolarHBondContact O-N 3.13Å; Q323-K325 VanDerWaalsContact C-N 3.28Å; Q323-K325 PolarHBondContact O-N 3.39Å; K325-E328 WeakPolarHBondContact CA-OE2 3.39Å; K325-E328 WeakPolarHBondContact CG-OE2 3.34Å; K325-L329 VanDerWaalsContact O-CB 3.27Å; K325-L329 WeakPolarHBondContact O-CB 3.45Å; K325-L329 WeakPolarHBondContact O-CD1 3.46Å; K325-L329 WeakPolarHBondContact O-CG 3.46Å; K325-L329 PolarHBondContact O-N 2.81Å |
| 326 | V | 74.8 | Confident | 69.2 | Low | 81 Ų | 81 | 111.4 Ų | 111.4 | 49% | 0.491 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -76.2 | -28.5 | 172.7 | 166.3 | 0 | 0 | 0 | 0 | 110.3 | L322 Q323 L329 T330 | L322-V326 WeakPolarHBondContact O-CB 3.44Å; L322-V326 VanDerWaalsContact O-CG2 3.27Å; L322-V326 WeakPolarHBondContact O-CG2 3.31Å; L322-V326 PolarHBondContact O-N 2.96Å; Q323-V326 CarbonylContact O-C 3.53Å; Q323-V326 WeakPolarHBondContact O-CA 3.48Å; Q323-V326 PolarHBondContact O-N 3.47Å; V326-L329 CarbonylContact O-C 3.35Å; V326-T330 HydrophobicContact CG1-CG2 4.46Å; V326-T330 WeakPolarHBondContact O-CA 3.39Å; V326-T330 VanDerWaalsContact O-CB 3.24Å; V326-T330 WeakPolarHBondContact O-CB 3.41Å; V326-T330 VanDerWaalsContact O-CG2 3.3Å; V326-T330 WeakPolarHBondContact O-CG2 3.42Å; V326-T330 PolarHBondContact O-N 3.39Å; V326-T330 PolarHBondContact O-OG1 3.29Å |
| 327 | E | 68.9 | Low | 66.5 | Low | 81 Ų | 81 | 109.4 Ų | 109.4 | 38% | 0.379 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -73.9 | -43.3 | 172.9 | -75.4 | 162.7 | 176.8 | 0 | 0 | 109.3 | Q323 V324 L329 T330 E331 | Q323-E327 HydrophobicContact CG-CG 4.28Å; Q323-E327 VanDerWaalsContact CG-OE1 3.28Å; Q323-E327 WeakPolarHBondContact CG-OE1 3.47Å; Q323-E327 PolarHBondContact NE2-OE1 3.46Å; Q323-E327 VanDerWaalsContact O-CB 3.31Å; Q323-E327 WeakPolarHBondContact O-CB 3.42Å; Q323-E327 VanDerWaalsContact O-CG 3.27Å; Q323-E327 WeakPolarHBondContact O-CG 3.47Å; Q323-E327 PolarHBondContact O-N 2.92Å; V324-E327 CarbonylContact O-C 3.47Å; V324-E327 PolarHBondContact O-N 3.12Å; E327-L329 PolarHBondContact O-N 2.89Å; E327-T330 WeakPolarHBondContact CA-OG1 3.5Å; E327-T330 CarbonylContact O-C 3.42Å; E327-T330 PolarHBondContact O-N 3.39Å; E327-E331 WeakPolarHBondContact O-CB 3.42Å; E327-E331 WeakPolarHBondContact O-CG 3.3Å; E327-E331 PolarHBondContact O-N 2.86Å |
| 328 | E | 71.1 | Confident | 64.1 | Low | 104 Ų | 104 | 111.7 Ų | 111.7 | 49% | 0.486 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -54.1 | -54 | 165.7 | -71.6 | 164.4 | 173.2 | 0 | 0 | 110.5 | V324 K325 T330 E331 E332 | V324-E328 WeakPolarHBondContact O-CB 3.31Å; V324-E328 VanDerWaalsContact O-CG 3.28Å; V324-E328 WeakPolarHBondContact O-CG 3.31Å; V324-E328 PolarHBondContact O-N 2.99Å; K325-E328 WeakPolarHBondContact CA-OE2 3.39Å; K325-E328 WeakPolarHBondContact CG-OE2 3.34Å; E328-T330 PolarHBondContact O-N 3.45Å; E328-E331 PolarHBondContact O-N 3.38Å; E328-E332 WeakPolarHBondContact O-CG 3.48Å; E328-E332 PolarHBondContact O-N 2.87Å |
| 329 | L | 61.4 | Low | 61.7 | Low | 104 Ų | 104 | 114.3 Ų | 114.3 | 55% | 0.545 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.3 | -12.5 | 176 | -70.5 | 167.1 | 0 | 0 | 0 | 114.5 | K325 V326 E327 R333 | K325-L329 VanDerWaalsContact O-CB 3.27Å; K325-L329 WeakPolarHBondContact O-CB 3.45Å; K325-L329 WeakPolarHBondContact O-CD1 3.46Å; K325-L329 WeakPolarHBondContact O-CG 3.46Å; K325-L329 PolarHBondContact O-N 2.81Å; V326-L329 CarbonylContact O-C 3.35Å; E327-L329 PolarHBondContact O-N 2.89Å; L329-R333 WeakPolarHBondContact O-CB 3.42Å |
| 330 | T | 61.2 | Low | 59.6 | Low | 58 Ų | 58 | 115.8 Ų | 115.8 | 36% | 0.356 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -108.6 | -7.8 | 173.4 | 54.8 | 0 | 0 | 0 | 0 | 113.8 | V326 E327 E328 S334 | V326-T330 HydrophobicContact CG1-CG2 4.46Å; V326-T330 WeakPolarHBondContact O-CA 3.39Å; V326-T330 VanDerWaalsContact O-CB 3.24Å; V326-T330 WeakPolarHBondContact O-CB 3.41Å; V326-T330 VanDerWaalsContact O-CG2 3.3Å; V326-T330 WeakPolarHBondContact O-CG2 3.42Å; V326-T330 PolarHBondContact O-N 3.39Å; V326-T330 PolarHBondContact O-OG1 3.29Å; E327-T330 WeakPolarHBondContact CA-OG1 3.5Å; E327-T330 CarbonylContact O-C 3.42Å; E327-T330 PolarHBondContact O-N 3.39Å; E328-T330 PolarHBondContact O-N 3.45Å; T330-S334 WeakPolarHBondContact O-CA 3.2Å; T330-S334 WeakPolarHBondContact O-CB 3.26Å; T330-S334 PolarHBondContact O-N 3.25Å; T330-S334 PolarHBondContact O-OG 2.94Å |
| 331 | E | 56.1 | Low | 57.6 | Low | 137 Ų | 137 | 115 Ų | 115 | 64% | 0.64 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -77.4 | -42.3 | 157.9 | -74 | -179.3 | 175.2 | 0 | 0 | 108.9 | E327 E328 R333 | E327-E331 WeakPolarHBondContact O-CB 3.42Å; E327-E331 WeakPolarHBondContact O-CG 3.3Å; E327-E331 PolarHBondContact O-N 2.86Å; E328-E331 PolarHBondContact O-N 3.38Å; E331-R333 PolarHBondContact O-N 3.25Å |
| 332 | E | 53.6 | Low | 55.9 | Low | 153 Ų | 153 | 114 Ų | 114 | 72% | 0.715 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -57.5 | -26.9 | 166.2 | -72.9 | -175.2 | 173.4 | 0 | 0 | 112.8 | E328 | E328-E332 WeakPolarHBondContact O-CG 3.48Å; E328-E332 PolarHBondContact O-N 2.87Å |
| 333 | R | 48.2 | Very low | 54 | Low | 188 Ų | 188 | 116 Ų | 116 | 71% | 0.709 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -100.1 | -30.8 | -179.7 | -163.6 | 176.8 | 174.8 | -172.1 | -2.4 | 114.8 | L329 E331 L335 Q336 | L329-R333 WeakPolarHBondContact O-CB 3.42Å; E331-R333 PolarHBondContact O-N 3.25Å; R333-L335 VanDerWaalsContact C-N 3.33Å; R333-L335 PolarHBondContact O-N 3.42Å; R333-Q336 PolarHBondContact O-N 3.4Å |
| 334 | S | 44.9 | Very low | 52.3 | Low | 84 Ų | 84 | 116.5 Ų | 116.5 | 59% | 0.587 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -83.9 | -5.4 | -174.2 | 61.4 | 0 | 0 | 0 | 0 | 114.3 | T330 Q336 | T330-S334 WeakPolarHBondContact O-CA 3.2Å; T330-S334 WeakPolarHBondContact O-CB 3.26Å; T330-S334 PolarHBondContact O-N 3.25Å; T330-S334 PolarHBondContact O-OG 2.94Å; S334-Q336 PolarHBondContact O-N 2.96Å; S334-Q336 VanDerWaalsContact O-N 3.1Å |
| 335 | L | 46.6 | Very low | 51 | Low | 158 Ų | 158 | 121.2 Ų | 121.2 | 83% | 0.827 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 2.2 | 154.5 | -69.3 | 174.5 | 0 | 0 | 0 | 112.9 | R333 | R333-L335 VanDerWaalsContact C-N 3.33Å; R333-L335 PolarHBondContact O-N 3.42Å |
| 336 | Q | 38.7 | Very low | 49.5 | Very low | 159 Ų | 159 | 123.5 Ų | 123.5 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -136 | 114 | 169.8 | -60 | -173.4 | 1.3 | 0 | 0 | 113.7 | R333 S334 | R333-Q336 PolarHBondContact O-N 3.4Å; S334-Q336 PolarHBondContact O-N 2.96Å; S334-Q336 VanDerWaalsContact O-N 3.1Å |
| 337 | S | 33.7 | Very low | 48.2 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 85% | 0.846 | 72% | 0.718 | S | S | * | * | trans | 81.3 | 161.9 | 164.1 | 79 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 338 | S | 38.8 | Very low | 47.5 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 85% | 0.853 | 74% | 0.738 | S | S | * | * | trans | -162.4 | 150.7 | -165.1 | 52.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 339 | A | 36.5 | Very low | 46.4 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | trans | 144.7 | 150 | 147.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 340 | A | 37.7 | Very low | 45.9 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 79% | 0.793 | 76% | 0.758 | S | S | * | * | trans | 71.6 | 167.6 | 160 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 341 | T | 41.5 | Very low | 45.3 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | cis | -155.5 | -167.2 | 5.3 | -23.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 342 | S | 47.5 | Very low | 44.9 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -162 | -174 | -172.9 | 57.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 343 | T | 37.2 | Very low | 44.6 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | 101.4 | 166.2 | 172.2 | 71.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 344 | S | 46 | Very low | 44.6 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | cis | -163 | -177.7 | 5.5 | -155.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 345 | L | 51.3 | Low | 44.5 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | -157.2 | 0 | -174.5 | -73.6 | 171.4 | 0 | 0 | 0 | 118.2 | ||||
| 346 | L | 43.2 | Very low | 44.5 | Very low | 167 Ų | 167 | 138.7 Ų | 138.7 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | 0 | 179.4 | 0 | -98.1 | 166.9 | 0 | 0 | 0 | 116.2 | |||||
| 347 | S | 49.1 | Very low | 44.7 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | cis | -167.2 | -171.6 | -3.2 | 55.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 348 | E | 53.3 | Low | 45 | Very low | 168 Ų | 168 | 141.4 Ų | 141.4 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -125.6 | 0 | -163.5 | -44.8 | 80.1 | -177.8 | 0 | 0 | 118.7 | ||||
| 349 | I | 48.5 | Very low | 45.3 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | 0 | 0 | 0 | -167.6 | 156 | 0 | 0 | 0 | 112.3 | |||||
| 350 | E | 51 | Low | 45.7 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | 0 | 0 | 0 | -147 | 173.8 | 106.8 | 0 | 0 | 112.8 | |||||
| 351 | Q | 47.5 | Very low | 45.9 | Very low | 164 Ų | 164 | 149.6 Ų | 149.6 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | 0 | 0 | 0 | -152 | -174.8 | 83.7 | 0 | 0 | 112.2 | |||||
| 352 | S | 47.6 | Very low | 46.2 | Very low | 109 Ų | 109 | 150.4 Ų | 150.4 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | 0 | 0 | 0 | 68.3 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 353 | M | 47.8 | Very low | 46.6 | Very low | 165 Ų | 165 | 150 Ų | 150 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | 0 | -174.2 | 0 | -157.6 | 175.2 | 65.8 | 0 | 0 | 123 | |||||
| 354 | E | 47.4 | Very low | 46.9 | Very low | 174 Ų | 174 | 152 Ų | 152 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | 91.8 | 159.8 | 157.2 | -102.3 | 161.9 | -138.2 | 0 | 0 | 124.2 | ||||
| 355 | A | 43 | Very low | 47 | Very low | 93 Ų | 93 | 154.1 Ų | 154.1 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | cis | -156.1 | -161.9 | -0.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 356 | E | 47.3 | Very low | 46.9 | Very low | 197 Ų | 197 | 149.7 Ų | 149.7 | 92% | 0.921 | 75% | 0.746 | S | S | * | * | cis | -165.9 | -160.7 | 5.6 | -150.7 | 178.4 | -128.2 | 0 | 0 | 114.9 | ||||
| 357 | E | 42.7 | Very low | 47.4 | Very low | 177 Ų | 177 | 148 Ų | 148 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | trans | -138.5 | 164.4 | -165.1 | -68.7 | -168.7 | 144.5 | 0 | 0 | 122.6 | ||||
| 358 | L | 39.1 | Very low | 47.7 | Very low | 160 Ų | 160 | 151.1 Ų | 151.1 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | 176.4 | 175.2 | 128.9 | -100.6 | -179.5 | 0 | 0 | 0 | 118.4 | |||||
| 359 | E | 45.5 | Very low | 47.8 | Very low | 146 Ų | 146 | 148.8 Ų | 148.8 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | trans | -121.3 | 158.8 | -147.6 | -70.9 | -152.1 | 108.5 | 0 | 0 | 122.6 | ||||
| 360 | Q | 45.5 | Very low | 48.2 | Very low | 138 Ų | 138 | 149.8 Ų | 149.8 | 65% | 0.645 | 73% | 0.727 | S | S | * | * | trans | 34.6 | 91.5 | 141.4 | -57 | -178.4 | 40.2 | 0 | 0 | 123.7 | ||||
| 361 | E | 42.5 | Very low | 48.7 | Very low | 208 Ų | 208 | 148.8 Ų | 148.8 | 97% | 0.972 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -136.3 | 11.7 | 145.1 | -77.9 | -161.5 | 145 | 0 | 0 | 112.9 | ||
| 362 | R | 47.2 | Very low | 49.3 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 61% | 0.608 | 71% | 0.707 | S | S | * | * | trans | -108.1 | 0.2 | -160.3 | -155.9 | -179.7 | 171.2 | -135.8 | -2.5 | 115.5 | K409 | R362-K409 PolarHBondContact NH1-O 2.91Å; R362-K409 VanDerWaalsContact NH1-O 3.15Å | ||
| 363 | E | 55.8 | Low | 49.9 | Very low | 94 Ų | 94 | 142.8 Ų | 142.8 | 44% | 0.439 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -79.2 | -29.1 | -171.3 | -88.3 | 46.1 | -116.3 | 0 | 0 | 114.8 | R366 | E363-R366 WeakPolarHBondContact O-CB 3.31Å; E363-R366 PolarHBondContact O-N 2.84Å |
| 364 | Q | 43.6 | Very low | 50.5 | Low | 188 Ų | 188 | 137.2 Ų | 137.2 | 88% | 0.879 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -26.7 | -164.2 | -149.3 | 162.4 | 18.3 | 0 | 0 | 114.8 | R366 | Q364-R366 PolarHBondContact O-N 3.18Š|
| 365 | L | 48.7 | Very low | 51.1 | Low | 158 Ų | 158 | 135.7 Ų | 135.7 | 83% | 0.827 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 2.3 | 169.5 | -89.2 | 165 | 0 | 0 | 0 | 113.4 | ||
| 366 | R | 49.5 | Very low | 52.1 | Low | 78 Ų | 78 | 132.9 Ų | 132.9 | 29% | 0.294 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -93.2 | -37.5 | -162.5 | -156.5 | -165.7 | 166.9 | 66.3 | 25.9 | 114.9 | E363 Q364 Q368 L369 A408 | E363-R366 WeakPolarHBondContact O-CB 3.31Å; E363-R366 PolarHBondContact O-N 2.84Å; Q364-R366 PolarHBondContact O-N 3.18Å; R366-Q368 PolarHBondContact O-N 2.98Å; R366-L369 PolarHBondContact O-N 3.43Å; R366-A408 VanDerWaalsContact CZ-C 3.47Å; R366-A408 VanDerWaalsContact CZ-CB 3.42Å; R366-A408 VanDerWaalsContact NE-CB 3.32Å; R366-A408 VanDerWaalsContact NH1-C 3.35Å; R366-A408 PolarHBondContact NH1-O 2.97Å; R366-A408 PolarHBondContact NH2-O 3.49Å |
| 367 | L | 53.7 | Low | 52.7 | Low | 133 Ų | 133 | 131.5 Ų | 131.5 | 70% | 0.696 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.1 | -41 | -170.2 | -76.2 | 157.9 | 0 | 0 | 0 | 112.6 | L369 W370 | L367-L369 PolarHBondContact O-N 3.34Å; L367-W370 WeakPolarHBondContact O-CB 3.33Å; L367-W370 PolarHBondContact O-N 3Å; L367-W370 VanDerWaalsContact O-N 3.11Å |
| 368 | Q | 54.3 | Low | 53.8 | Low | 163 Ų | 163 | 130.6 Ų | 130.6 | 76% | 0.762 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.3 | -20.4 | 179 | -67.3 | -176.8 | -19.1 | 0 | 0 | 113.7 | R366 | R366-Q368 PolarHBondContact O-N 2.98Å |
| 369 | L | 56.7 | Low | 54.8 | Low | 120 Ų | 120 | 127.7 Ų | 127.7 | 63% | 0.628 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -84.4 | -17.1 | 178.8 | -142.5 | 143.4 | 0 | 0 | 0 | 112.1 | R366 L367 | R366-L369 PolarHBondContact O-N 3.43Å; L367-L369 PolarHBondContact O-N 3.34Å |
| 370 | W | 56.7 | Low | 55.3 | Low | 174 Ų | 174 | 121.9 Ų | 121.9 | 66% | 0.659 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -81.9 | -42.8 | 179 | -173.7 | 88.2 | 0 | 0 | 0 | 112.3 | L367 A372 Y373 C374 | L367-W370 WeakPolarHBondContact O-CB 3.33Å; L367-W370 PolarHBondContact O-N 3Å; L367-W370 VanDerWaalsContact O-N 3.11Å; W370-A372 PolarHBondContact O-N 3.37Å; W370-Y373 WeakPolarHBondContact O-CB 3.34Å; W370-Y373 PolarHBondContact O-N 2.99Å; W370-Y373 VanDerWaalsContact O-N 3.15Å; W370-C374 PolarHBondContact O-N 2.78Å; W370-C374 PolarHBondContact O-SG 3.47Å |
| 371 | E | 60.9 | Low | 56 | Low | 125 Ų | 125 | 118.6 Ų | 118.6 | 58% | 0.584 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.2 | -41.3 | -178.8 | -63.2 | -175.9 | 128.8 | 0 | 0 | 112.6 | Y373 C374 Q375 | E371-Y373 VanDerWaalsContact C-N 3.31Å; E371-Y373 PolarHBondContact O-N 3.28Å; E371-C374 PolarHBondContact O-N 3.1Å; E371-Q375 PolarHBondContact O-N 3.3Å |
| 372 | A | 59.9 | Low | 56.7 | Low | 52 Ų | 52 | 114.3 Ų | 114.3 | 43% | 0.43 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.2 | -32.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | W370 | W370-A372 PolarHBondContact O-N 3.37Å |
| 373 | Y | 60.8 | Low | 57.1 | Low | 95 Ų | 95 | 110.2 Ų | 110.2 | 37% | 0.373 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71.6 | -40.2 | 177.7 | 174.8 | -101.4 | 0 | 0 | 0 | 111.9 | W370 E371 Q375 V376 R377 | W370-Y373 WeakPolarHBondContact O-CB 3.34Å; W370-Y373 PolarHBondContact O-N 2.99Å; W370-Y373 VanDerWaalsContact O-N 3.15Å; E371-Y373 VanDerWaalsContact C-N 3.31Å; E371-Y373 PolarHBondContact O-N 3.28Å; Y373-Q375 PolarHBondContact O-N 3.01Å; Y373-V376 PolarHBondContact O-N 2.93Å; Y373-R377 PolarHBondContact O-N 3.49Å; Y373-R377 PolarHBondContact OH-NH1 3.45Å |
| 374 | C | 59 | Low | 57.1 | Low | 48 Ų | 48 | 114.9 Ų | 114.9 | 32% | 0.324 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 179.9 | -69.2 | 0 | 0 | 0 | 0 | 113.2 | W370 E371 R377 Y378 | W370-C374 PolarHBondContact O-N 2.78Å; W370-C374 PolarHBondContact O-SG 3.47Å; E371-C374 PolarHBondContact O-N 3.1Å; C374-R377 PolarHBondContact O-N 3.24Å; C374-Y378 PolarHBondContact O-N 3.4Å |
| 375 | Q | 61.6 | Low | 57.3 | Low | 141 Ų | 141 | 108 Ų | 108 | 66% | 0.659 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67 | -39.1 | -179.4 | -66.8 | 179 | 12 | 0 | 0 | 113 | E371 Y373 | E371-Q375 PolarHBondContact O-N 3.3Å; Y373-Q375 PolarHBondContact O-N 3.01Å |
| 376 | V | 63 | Low | 57.1 | Low | 34 Ų | 34 | 106.1 Ų | 106.1 | 21% | 0.206 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 177 | 178.7 | 0 | 0 | 0 | 0 | 111 | Y373 Y378 L379 C380 A419 | Y373-V376 PolarHBondContact O-N 2.93Å; V376-Y378 VanDerWaalsContact C-N 3.33Å; V376-Y378 PolarHBondContact O-N 3.41Å; V376-L379 PolarHBondContact O-N 2.9Å; V376-C380 PolarHBondContact O-N 3.47Å; V376-A419 HydrophobicContact CG1-CB 3.99Å |
| 377 | R | 61.1 | Low | 56.9 | Low | 168 Ų | 168 | 109.7 Ų | 109.7 | 63% | 0.634 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.2 | -37.4 | -179.4 | -167.1 | 169.1 | 179 | 158.2 | -4.3 | 112.5 | Y373 C374 C380 S381 | Y373-R377 PolarHBondContact O-N 3.49Å; Y373-R377 PolarHBondContact OH-NH1 3.45Å; C374-R377 PolarHBondContact O-N 3.24Å; R377-C380 PolarHBondContact O-N 3.32Å; R377-S381 PolarHBondContact O-N 3.31Å; R377-S381 PolarHBondContact O-OG 2.89Å |
| 378 | Y | 64.1 | Low | 56.4 | Low | 159 Ų | 159 | 108.4 Ų | 108.4 | 62% | 0.624 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.8 | -44.8 | 177.8 | -179.8 | -101.1 | 0 | 0 | 0 | 113.1 | C374 V376 S381 H382 | C374-Y378 PolarHBondContact O-N 3.4Å; V376-Y378 VanDerWaalsContact C-N 3.33Å; V376-Y378 PolarHBondContact O-N 3.41Å; Y378-S381 WeakPolarHBondContact CA-OG 3.34Å; Y378-S381 PolarHBondContact O-N 2.92Å; Y378-S381 PolarHBondContact O-OG 2.9Å; Y378-H382 PolarHBondContact O-N 3.43Å; Y378-H382 VanDerWaalsContact O-N 3.1Å |
| 379 | L | 60.2 | Low | 55.6 | Low | 98 Ų | 98 | 104.9 Ų | 104.9 | 51% | 0.513 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 179.7 | -68.6 | 170.3 | 0 | 0 | 0 | 112.1 | V376 S381 H382 L383 | V376-L379 PolarHBondContact O-N 2.9Å; L379-S381 VanDerWaalsContact C-N 3.31Å; L379-S381 PolarHBondContact O-N 2.94Å; L379-H382 PolarHBondContact O-N 2.89Å; L379-L383 PolarHBondContact O-N 2.9Å |
| 380 | C | 57.2 | Low | 54.6 | Low | 25 Ų | 25 | 107 Ų | 107 | 17% | 0.169 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -67.1 | -27.8 | 176.6 | -66.2 | 0 | 0 | 0 | 0 | 113.4 | V376 R377 | V376-C380 PolarHBondContact O-N 3.47Å; R377-C380 PolarHBondContact O-N 3.32Å |
| 381 | S | 60.5 | Low | 53.5 | Low | 69 Ų | 69 | 104.3 Ų | 104.3 | 48% | 0.483 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -74.7 | -36.1 | 169.9 | 38.5 | 0 | 0 | 0 | 0 | 113.1 | R377 Y378 L379 R384 G385 | R377-S381 PolarHBondContact O-N 3.31Å; R377-S381 PolarHBondContact O-OG 2.89Å; Y378-S381 WeakPolarHBondContact CA-OG 3.34Å; Y378-S381 PolarHBondContact O-N 2.92Å; Y378-S381 PolarHBondContact O-OG 2.9Å; L379-S381 VanDerWaalsContact C-N 3.31Å; L379-S381 PolarHBondContact O-N 2.94Å; S381-R384 PolarHBondContact O-N 3.35Å; S381-G385 PolarHBondContact O-N 3.02Å |
| 382 | H | 56.5 | Low | 52.4 | Low | 117 Ų | 117 | 102.3 Ų | 102.3 | 54% | 0.542 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.8 | -40.5 | -177.5 | -161 | 55.4 | 0 | 0 | 0 | 112.2 | Y378 L379 R384 G385 | Y378-H382 PolarHBondContact O-N 3.43Å; Y378-H382 VanDerWaalsContact O-N 3.1Å; L379-H382 PolarHBondContact O-N 2.89Å; H382-R384 PolarHBondContact O-N 2.84Å; H382-G385 PolarHBondContact O-N 3.22Å |
| 383 | L | 54.4 | Low | 51.3 | Low | 76 Ų | 76 | 106 Ų | 106 | 40% | 0.398 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.4 | -19.7 | 174 | -76.4 | 165.8 | 0 | 0 | 0 | 114 | L379 L423 | L379-L383 PolarHBondContact O-N 2.9Å; L383-L423 HydrophobicContact CD1-CD1 3.55Å |
| 384 | R | 57 | Low | 49.9 | Very low | 191 Ų | 191 | 106.5 Ų | 106.5 | 72% | 0.721 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -12.4 | 176.7 | -166.9 | -178.9 | -67.8 | -118.9 | 4.3 | 113 | S381 H382 | S381-R384 PolarHBondContact O-N 3.35Å; H382-R384 PolarHBondContact O-N 2.84Å |
| 385 | G | 47.2 | Very low | 48.8 | Very low | 44 Ų | 44 | 110.1 Ų | 110.1 | 45% | 0.454 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -88.8 | -14.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | S381 H382 S388 | S381-G385 PolarHBondContact O-N 3.02Å; H382-G385 PolarHBondContact O-N 3.22Å; G385-S388 PolarHBondContact O-OG 3.25Å |
| 386 | N | 45.4 | Very low | 47.5 | Very low | 119 Ų | 119 | 110.2 Ų | 110.2 | 64% | 0.636 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -91 | -15.1 | -168.9 | -71.9 | -8.9 | 0 | 0 | 0 | 114.7 | S388 | N386-S388 PolarHBondContact O-N 2.95Š|
| 387 | D | 45.2 | Very low | 46.1 | Very low | 153 Ų | 153 | 113.4 Ų | 113.4 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | trans | -85.5 | 55 | 177 | -60.4 | -34.3 | 0 | 0 | 0 | 111.2 | ||||
| 388 | S | 43.5 | Very low | 45 | Very low | 106 Ų | 106 | 110.4 Ų | 110.4 | 74% | 0.741 | 65% | 0.653 | S | S | * | * | trans | -108.6 | 55.8 | -179.7 | 45.2 | 0 | 0 | 0 | 0 | 112.8 | G385 N386 | G385-S388 PolarHBondContact O-OG 3.25Å; N386-S388 PolarHBondContact O-N 2.95Å | ||
| 389 | A | 37.8 | Very low | 43.8 | Very low | 89 Ų | 89 | 110.3 Ų | 110.3 | 74% | 0.736 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -139.4 | 120.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 390 | D | 33.8 | Very low | 42.4 | Very low | 165 Ų | 165 | 112 Ų | 112 | 88% | 0.882 | 67% | 0.67 | S | S | * | * | trans | 28 | 111.7 | 165 | -60.1 | -33.4 | 0 | 0 | 0 | 119.9 | ||||
| 391 | S | 34.2 | Very low | 41.4 | Very low | 116 Ų | 116 | 118.2 Ų | 118.2 | 81% | 0.811 | 70% | 0.696 | S | S | * | * | 177.3 | 121.5 | 94.3 | -168.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 392 | A | 38.2 | Very low | 40.2 | Very low | 84 Ų | 84 | 119.3 Ų | 119.3 | 69% | 0.694 | 70% | 0.704 | S | S | * | * | trans | 52.5 | 130.8 | 138.9 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 393 | V | 37.5 | Very low | 39.3 | Very low | 130 Ų | 130 | 119 Ų | 119 | 79% | 0.788 | 71% | 0.714 | S | S | * | * | trans | 81.7 | 105.2 | 140.4 | 172.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 394 | S | 31.3 | Very low | 38.6 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | 63.5 | 158 | 140.1 | -71.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 395 | T | 36 | Very low | 37.4 | Very low | 123 Ų | 123 | 121.6 Ų | 121.6 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | cis | -174.6 | 153.6 | -28.8 | -78.8 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 396 | D | 33.7 | Very low | 37.2 | Very low | 143 Ų | 143 | 124.9 Ų | 124.9 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | trans | 88.9 | 158.3 | 164.6 | -151.7 | 14.8 | 0 | 0 | 0 | 118.1 | ||||
| 397 | S | 34 | Very low | 37 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | 63.4 | 101.4 | -165.9 | -53.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 398 | S | 37.5 | Very low | 36.9 | Very low | 105 Ų | 105 | 117.6 Ų | 117.6 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | cis | 59.3 | 138.5 | 36.9 | 113.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 399 | M | 38.7 | Very low | 36.8 | Very low | 157 Ų | 157 | 118.4 Ų | 118.4 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | cis | -158.4 | 177.9 | -4.3 | -162.5 | 172 | 82.7 | 0 | 0 | 107.3 | ||||
| 400 | D | 31.7 | Very low | 37.3 | Very low | 134 Ų | 134 | 121 Ų | 121 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | trans | 64.1 | 157.9 | 169.8 | -82.2 | 19.1 | 0 | 0 | 0 | 118.1 | ||||
| 401 | E | 35.4 | Very low | 37.9 | Very low | 154 Ų | 154 | 117.2 Ų | 117.2 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | cis | -167.6 | 178.6 | -48.4 | -118 | -59 | 138.4 | 0 | 0 | 106.9 | ||||
| 402 | S | 35 | Very low | 38.8 | Very low | 93 Ų | 93 | 116.6 Ų | 116.6 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | trans | -45.3 | 134.2 | -177.6 | -59.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 403 | S | 37 | Very low | 39.4 | Very low | 109 Ų | 109 | 118.4 Ų | 118.4 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | -160.2 | 128.9 | 127.4 | -75.2 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 404 | E | 39.7 | Very low | 40.4 | Very low | 190 Ų | 190 | 113.9 Ų | 113.9 | 89% | 0.888 | 69% | 0.693 | S | S | * | * | 57.6 | 56.8 | 55.4 | -61.2 | -142.1 | 139.2 | 0 | 0 | 114.2 | |||||
| 405 | T | 33.3 | Very low | 41.7 | Very low | 133 Ų | 133 | 110.9 Ų | 110.9 | 82% | 0.816 | 67% | 0.672 | S | S | * | * | trans | -124.7 | 100.5 | 144.1 | 46.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 406 | S | 42.8 | Very low | 42.7 | Very low | 113 Ų | 113 | 109 Ų | 109 | 79% | 0.79 | 66% | 0.657 | S | S | * | * | trans | -63.1 | 170.8 | 145.1 | 62.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 407 | S | 41 | Very low | 44.1 | Very low | 82 Ų | 82 | 111.2 Ų | 111.2 | 57% | 0.573 | 66% | 0.655 | S | S | * | * | S | Bend | trans | 64.3 | 88.3 | -177.4 | -164.1 | 0 | 0 | 0 | 0 | 115.5 | K409 | S407-K409 PolarHBondContact O-N 3.39Š|
| 408 | A | 42.9 | Very low | 45.6 | Very low | 36 Ų | 36 | 110 Ų | 110 | 30% | 0.298 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | 49.6 | -63.1 | 111.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | R366 D410 | R366-A408 VanDerWaalsContact CZ-C 3.47Å; R366-A408 VanDerWaalsContact CZ-CB 3.42Å; R366-A408 VanDerWaalsContact NE-CB 3.32Å; R366-A408 VanDerWaalsContact NH1-C 3.35Å; R366-A408 PolarHBondContact NH1-O 2.97Å; R366-A408 PolarHBondContact NH2-O 3.49Å; A408-D410 PolarHBondContact O-N 2.8Å | |
| 409 | K | 40.7 | Very low | 46.9 | Very low | 123 Ų | 123 | 106.1 Ų | 106.1 | 54% | 0.535 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.1 | -30.3 | -149.9 | -92.3 | -179.5 | 176.4 | 174.2 | 0 | 115.1 | R362 S407 | R362-K409 PolarHBondContact NH1-O 2.91Å; R362-K409 VanDerWaalsContact NH1-O 3.15Å; S407-K409 PolarHBondContact O-N 3.39Å |
| 410 | D | 49.9 | Very low | 48.2 | Very low | 145 Ų | 145 | 102.7 Ų | 102.7 | 78% | 0.775 | 60% | 0.601 | S | S | * | * | trans | -109 | 109.6 | -176.9 | -64 | -68.2 | 0 | 0 | 0 | 114.5 | A408 | A408-D410 PolarHBondContact O-N 2.8Š| ||
| 411 | V | 45.9 | Very low | 50 | Low | 85 Ų | 85 | 100.8 Ų | 100.8 | 52% | 0.515 | 59% | 0.591 | S | S | . | * | trans | -125 | 105.9 | 159.1 | 176.4 | 0 | 0 | 0 | 0 | 106.5 | A413 | V411-A413 PolarHBondContact O-N 3.48Š| ||
| 412 | P | 52.2 | Low | 51.6 | Low | 103 Ų | 103 | 98.1 Ų | 98.1 | 67% | 0.669 | 58% | 0.579 | S | S | * | * | trans | -59.7 | 133 | -178.9 | -26.9 | 35.6 | 0 | 0 | 0 | 112.2 | G414 S415 | P412-G414 PolarHBondContact O-N 3.22Å; P412-S415 PolarHBondContact O-N 2.86Å | ||
| 413 | A | 51.6 | Low | 53.3 | Low | 121 Ų | 121 | 95.5 Ų | 95.5 | 100% | 1 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 76.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V411 | V411-A413 PolarHBondContact O-N 3.48Š|
| 414 | G | 58.3 | Low | 55 | Low | 36 Ų | 36 | 97.4 Ų | 97.4 | 37% | 0.371 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 170.2 | -23.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P412 L416 R417 T418 | P412-G414 PolarHBondContact O-N 3.22Å; G414-L416 VanDerWaalsContact C-N 3.32Å; G414-L416 PolarHBondContact O-N 2.85Å; G414-L416 VanDerWaalsContact O-N 3.16Å; G414-R417 WeakPolarHBondContact O-CA 3.45Å; G414-R417 VanDerWaalsContact O-CB 3.22Å; G414-R417 WeakPolarHBondContact O-CB 3.23Å; G414-R417 PolarHBondContact O-N 2.93Å; G414-T418 PolarHBondContact O-N 2.93Å; G414-T418 PolarHBondContact O-OG1 2.71Å |
| 415 | S | 59.3 | Low | 56.7 | Low | 42 Ų | 42 | 96.4 Ų | 96.4 | 29% | 0.294 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -54.1 | -40.4 | -172.7 | -178.4 | 0 | 0 | 0 | 0 | 114.6 | P412 R417 T418 A419 | P412-S415 PolarHBondContact O-N 2.86Å; S415-R417 VanDerWaalsContact C-N 3.34Å; S415-T418 WeakPolarHBondContact CA-OG1 3.34Å; S415-T418 PolarHBondContact O-OG1 3.39Å; S415-A419 PolarHBondContact O-N 2.63Å; S415-A419 VanDerWaalsContact O-N 3.09Å |
| 416 | L | 55.5 | Low | 58.6 | Low | 84 Ų | 84 | 92.6 Ų | 92.6 | 44% | 0.44 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -74.9 | -23.3 | 177.6 | -168.2 | 140.6 | 0 | 0 | 0 | 112.8 | G414 L420 | G414-L416 VanDerWaalsContact C-N 3.32Å; G414-L416 PolarHBondContact O-N 2.85Å; G414-L416 VanDerWaalsContact O-N 3.16Å; L416-L420 HydrophobicContact CD2-CD1 3.74Å; L416-L420 HydrophobicContact CD2-CG 4.47Å; L416-L420 WeakPolarHBondContact O-CG 3.46Å; L416-L420 PolarHBondContact O-N 2.8Å |
| 417 | R | 63.8 | Low | 60 | Low | 189 Ų | 189 | 91.7 Ų | 91.7 | 71% | 0.713 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -75.3 | -40.3 | 174.2 | -168 | 78.6 | 161.9 | -127.1 | -6.9 | 111 | G414 S415 N421 | G414-R417 WeakPolarHBondContact O-CA 3.45Å; G414-R417 VanDerWaalsContact O-CB 3.22Å; G414-R417 WeakPolarHBondContact O-CB 3.23Å; G414-R417 PolarHBondContact O-N 2.93Å; S415-R417 VanDerWaalsContact C-N 3.34Å; R417-N421 WeakPolarHBondContact O-CB 3.41Å; R417-N421 PolarHBondContact O-N 3.41Å; R417-N421 PolarHBondContact O-ND2 3.31Å |
| 418 | T | 65.9 | Low | 61.6 | Low | 77 Ų | 77 | 92.4 Ų | 92.4 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.2 | -46.2 | 172.6 | 34.4 | 0 | 0 | 0 | 0 | 111.4 | G414 S415 L420 N421 E422 | G414-T418 PolarHBondContact O-N 2.93Å; G414-T418 PolarHBondContact O-OG1 2.71Å; S415-T418 WeakPolarHBondContact CA-OG1 3.34Å; S415-T418 PolarHBondContact O-OG1 3.39Å; T418-L420 VanDerWaalsContact C-N 3.34Å; T418-L420 PolarHBondContact O-N 3.06Å; T418-N421 PolarHBondContact O-N 3.07Å; T418-N421 VanDerWaalsContact O-N 3.08Å; T418-E422 WeakPolarHBondContact O-CG 3.49Å; T418-E422 PolarHBondContact O-N 2.96Å |
| 419 | A | 63.5 | Low | 63 | Low | 23 Ų | 23 | 93.5 Ų | 93.5 | 19% | 0.19 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -57.2 | -42.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V376 S415 E422 L423 | V376-A419 HydrophobicContact CG1-CB 3.99Å; S415-A419 PolarHBondContact O-N 2.63Å; S415-A419 VanDerWaalsContact O-N 3.09Å; A419-E422 PolarHBondContact O-N 2.94Å; A419-L423 PolarHBondContact O-N 3.47Å |
| 420 | L | 66.1 | Low | 64.6 | Low | 84 Ų | 84 | 92.1 Ų | 92.1 | 44% | 0.44 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.6 | -34.6 | 175.1 | -74.3 | 172 | 0 | 0 | 0 | 113.3 | L416 T418 K424 | L416-L420 HydrophobicContact CD2-CD1 3.74Å; L416-L420 HydrophobicContact CD2-CG 4.47Å; L416-L420 WeakPolarHBondContact O-CG 3.46Å; L416-L420 PolarHBondContact O-N 2.8Å; T418-L420 VanDerWaalsContact C-N 3.34Å; T418-L420 PolarHBondContact O-N 3.06Å; L420-K424 WeakPolarHBondContact O-CB 3.43Å; L420-K424 PolarHBondContact O-N 3.39Å |
| 421 | N | 70.1 | Confident | 65.7 | Low | 94 Ų | 94 | 88.8 Ų | 88.8 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.8 | -37.1 | 174.9 | -75.1 | -14.4 | 0 | 0 | 0 | 112 | R417 T418 K424 R425 | R417-N421 WeakPolarHBondContact O-CB 3.41Å; R417-N421 PolarHBondContact O-N 3.41Å; R417-N421 PolarHBondContact O-ND2 3.31Å; T418-N421 PolarHBondContact O-N 3.07Å; T418-N421 VanDerWaalsContact O-N 3.08Å; N421-K424 PolarHBondContact O-N 2.94Å; N421-R425 WeakPolarHBondContact O-CB 3.21Å; N421-R425 PolarHBondContact O-N 2.86Å |
| 422 | E | 69.8 | Low | 67 | Low | 98 Ų | 98 | 88.8 Ų | 88.8 | 46% | 0.458 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 173.4 | -75.8 | 175.4 | -166.6 | 0 | 0 | 111.5 | T418 A419 K424 R425 L426 | T418-E422 WeakPolarHBondContact O-CG 3.49Å; T418-E422 PolarHBondContact O-N 2.96Å; A419-E422 PolarHBondContact O-N 2.94Å; E422-K424 VanDerWaalsContact C-N 3.31Å; E422-K424 PolarHBondContact O-N 2.84Å; E422-R425 PolarHBondContact O-N 3.02Å; E422-R425 VanDerWaalsContact O-N 3.16Å; E422-L426 WeakPolarHBondContact O-CG 3.29Å; E422-L426 PolarHBondContact O-N 2.89Å |
| 423 | L | 69.8 | Low | 67.9 | Low | 39 Ų | 39 | 85.9 Ų | 85.9 | 20% | 0.204 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -56.2 | -46.1 | 173.8 | -172 | 74 | 0 | 0 | 0 | 111.2 | L383 A419 R425 L426 I427 | L383-L423 HydrophobicContact CD1-CD1 3.55Å; A419-L423 PolarHBondContact O-N 3.47Å; L423-R425 PolarHBondContact O-N 2.87Å; L423-L426 PolarHBondContact O-N 3.41Å; L423-I427 HydrophobicContact CG-CD1 4.19Å; L423-I427 WeakPolarHBondContact O-CG1 3.2Å; L423-I427 PolarHBondContact O-N 3.12Å; L423-I427 VanDerWaalsContact O-N 3.07Å |
| 424 | K | 73.9 | Confident | 68.7 | Low | 149 Ų | 149 | 85.5 Ų | 85.5 | 65% | 0.648 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.7 | -40.5 | 176.6 | -172.3 | 179.4 | 179.1 | -175.8 | 0 | 112.4 | L420 N421 E422 Q428 | L420-K424 WeakPolarHBondContact O-CB 3.43Å; L420-K424 PolarHBondContact O-N 3.39Å; N421-K424 PolarHBondContact O-N 2.94Å; E422-K424 VanDerWaalsContact C-N 3.31Å; E422-K424 PolarHBondContact O-N 2.84Å; K424-Q428 PolarHBondContact O-N 3.33Å |
| 425 | R | 75.2 | Confident | 69.2 | Low | 168 Ų | 168 | 90.2 Ų | 90.2 | 63% | 0.634 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -67.4 | -40 | 178.7 | -168.2 | -177.8 | 70.8 | 89.3 | 1.3 | 112 | N421 E422 L423 Q428 S429 | N421-R425 WeakPolarHBondContact O-CB 3.21Å; N421-R425 PolarHBondContact O-N 2.86Å; E422-R425 PolarHBondContact O-N 3.02Å; E422-R425 VanDerWaalsContact O-N 3.16Å; L423-R425 PolarHBondContact O-N 2.87Å; R425-Q428 PolarHBondContact O-N 2.76Å; R425-S429 PolarHBondContact O-N 3.28Å; R425-S429 PolarHBondContact O-OG 3.12Å |
| 426 | L | 72.4 | Confident | 69.9 | Low | 54 Ų | 54 | 91.7 Ų | 91.7 | 28% | 0.283 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 176.3 | -74.4 | 166.5 | 0 | 0 | 0 | 111.7 | E422 L423 Q428 S429 I430 | E422-L426 WeakPolarHBondContact O-CG 3.29Å; E422-L426 PolarHBondContact O-N 2.89Å; L423-L426 PolarHBondContact O-N 3.41Å; L426-Q428 VanDerWaalsContact C-N 3.31Å; L426-Q428 PolarHBondContact O-N 2.8Å; L426-S429 WeakPolarHBondContact CA-OG 3.27Å; L426-S429 PolarHBondContact O-N 3.24Å; L426-S429 PolarHBondContact O-OG 3.13Å; L426-I430 WeakPolarHBondContact O-CG1 3.37Å; L426-I430 PolarHBondContact O-N 2.7Å; L426-I430 VanDerWaalsContact O-N 3.11Å |
| 427 | I | 72.1 | Confident | 70.9 | Confident | 93 Ų | 93 | 91.4 Ų | 91.4 | 48% | 0.477 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 174.9 | -68.2 | 165.5 | 0 | 0 | 0 | 110.8 | L423 I430 V431 | L423-I427 HydrophobicContact CG-CD1 4.19Å; L423-I427 WeakPolarHBondContact O-CG1 3.2Å; L423-I427 PolarHBondContact O-N 3.12Å; L423-I427 VanDerWaalsContact O-N 3.07Å; I427-I430 PolarHBondContact O-N 2.98Å; I427-V431 PolarHBondContact O-N 2.86Å |
| 428 | Q | 74.6 | Confident | 71.5 | Confident | 98 Ų | 98 | 86.8 Ų | 86.8 | 46% | 0.458 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 176.4 | -168.1 | 66.4 | 58 | 0 | 0 | 111.7 | K424 R425 L426 I430 V431 D432 | K424-Q428 PolarHBondContact O-N 3.33Å; R425-Q428 PolarHBondContact O-N 2.76Å; L426-Q428 VanDerWaalsContact C-N 3.31Å; L426-Q428 PolarHBondContact O-N 2.8Å; Q428-I430 VanDerWaalsContact C-N 3.25Å; Q428-I430 PolarHBondContact O-N 3.1Å; Q428-V431 PolarHBondContact O-N 3.01Å; Q428-V431 VanDerWaalsContact O-N 3.08Å; Q428-D432 PolarHBondContact NE2-OD1 3.37Å; Q428-D432 PolarHBondContact O-N 3.32Å |
| 429 | S | 72.9 | Confident | 72 | Confident | 59 Ų | 59 | 87.1 Ų | 87.1 | 41% | 0.413 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.1 | -27.5 | 179.6 | 49 | 0 | 0 | 0 | 0 | 114.3 | R425 L426 G433 | R425-S429 PolarHBondContact O-N 3.28Å; R425-S429 PolarHBondContact O-OG 3.12Å; L426-S429 WeakPolarHBondContact CA-OG 3.27Å; L426-S429 PolarHBondContact O-N 3.24Å; L426-S429 PolarHBondContact O-OG 3.13Å; S429-G433 PolarHBondContact O-N 2.87Å |
| 430 | I | 73.4 | Confident | 73 | Confident | 93 Ų | 93 | 90.8 Ų | 90.8 | 48% | 0.477 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.8 | -40.9 | 174.2 | -67.7 | 163.9 | 0 | 0 | 0 | 110.4 | L426 I427 Q428 G433 M434 | L426-I430 WeakPolarHBondContact O-CG1 3.37Å; L426-I430 PolarHBondContact O-N 2.7Å; L426-I430 VanDerWaalsContact O-N 3.11Å; I427-I430 PolarHBondContact O-N 2.98Å; Q428-I430 VanDerWaalsContact C-N 3.25Å; Q428-I430 PolarHBondContact O-N 3.1Å; I430-G433 PolarHBondContact O-N 2.93Å; I430-M434 HydrophobicContact CG2-SD 4.46Å; I430-M434 WeakPolarHBondContact O-CG 3.36Å; I430-M434 PolarHBondContact O-N 3.21Å |
| 431 | V | 74.7 | Confident | 73.8 | Confident | 76 Ų | 76 | 91.6 Ų | 91.6 | 46% | 0.461 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.6 | -49.2 | 175.2 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | I427 Q428 G433 M434 E435 | I427-V431 PolarHBondContact O-N 2.86Å; Q428-V431 PolarHBondContact O-N 3.01Å; Q428-V431 VanDerWaalsContact O-N 3.08Å; V431-G433 PolarHBondContact O-N 2.93Å; V431-M434 PolarHBondContact O-N 2.94Å; V431-E435 PolarHBondContact O-N 3.43Å |
| 432 | D | 72.1 | Confident | 74.4 | Confident | 84 Ų | 84 | 90.6 Ų | 90.6 | 45% | 0.449 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -30.7 | 179.8 | -57.6 | -10.3 | 0 | 0 | 0 | 111.7 | Q428 P436 | Q428-D432 PolarHBondContact NE2-OD1 3.37Å; Q428-D432 PolarHBondContact O-N 3.32Å; D432-P436 WeakPolarHBondContact O-CD 3.31Å |
| 433 | G | 72.3 | Confident | 75.3 | Confident | 42 Ų | 42 | 90.3 Ų | 90.3 | 43% | 0.433 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -75.4 | -17 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S429 I430 V431 P436 | S429-G433 PolarHBondContact O-N 2.87Å; I430-G433 PolarHBondContact O-N 2.93Å; V431-G433 PolarHBondContact O-N 2.93Å; G433-P436 WeakPolarHBondContact O-CG 3.5Å |
| 434 | M | 67.7 | Low | 76.1 | Confident | 114 Ų | 114 | 92.9 Ų | 92.9 | 56% | 0.562 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -88.8 | -25.5 | 177.7 | -71.3 | 175.9 | 68.1 | 0 | 0 | 113.1 | I430 V431 T437 V438 | I430-M434 HydrophobicContact CG2-SD 4.46Å; I430-M434 WeakPolarHBondContact O-CG 3.36Å; I430-M434 PolarHBondContact O-N 3.21Å; V431-M434 PolarHBondContact O-N 2.94Å; M434-T437 PolarHBondContact O-N 2.92Å; M434-T437 PolarHBondContact O-OG1 2.91Å; M434-V438 WeakPolarHBondContact O-CB 3.5Å; M434-V438 WeakPolarHBondContact O-CG2 3.26Å; M434-V438 PolarHBondContact O-N 2.93Å |
| 435 | E | 69.4 | Low | 76.4 | Confident | 134 Ų | 134 | 91 Ų | 91 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.4 | -43.9 | 174.7 | -63.1 | -156.5 | 146.9 | 0 | 0 | 115 | V431 T437 V438 T439 | V431-E435 PolarHBondContact O-N 3.43Å; E435-T437 VanDerWaalsContact C-N 3.33Å; E435-T437 PolarHBondContact O-N 3.36Å; E435-V438 PolarHBondContact O-N 3.14Å; E435-T439 WeakPolarHBondContact O-CB 3.42Å; E435-T439 WeakPolarHBondContact O-CG2 3.46Å; E435-T439 PolarHBondContact O-N 3.11Å; E435-T439 PolarHBondContact O-OG1 2.91Å |
| 436 | P | 73.7 | Confident | 76.9 | Confident | 74 Ų | 74 | 86.1 Ų | 86.1 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.9 | -32.1 | 178.6 | 24 | -34 | 0 | 0 | 0 | 113.3 | D432 G433 T439 L440 | D432-P436 WeakPolarHBondContact O-CD 3.31Å; G433-P436 WeakPolarHBondContact O-CG 3.5Å; P436-T439 WeakPolarHBondContact CA-OG1 3.37Å; P436-T439 PolarHBondContact O-OG1 3.36Å; P436-L440 VanDerWaalsContact O-CB 3.31Å; P436-L440 WeakPolarHBondContact O-CB 3.46Å; P436-L440 PolarHBondContact O-N 3.35Å |
| 437 | T | 75.4 | Confident | 77.6 | Confident | 78 Ų | 78 | 86.2 Ų | 86.2 | 48% | 0.479 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -76.8 | -39.4 | 177.1 | 52.4 | 0 | 0 | 0 | 0 | 111.8 | M434 E435 L440 L441 | M434-T437 PolarHBondContact O-N 2.92Å; M434-T437 PolarHBondContact O-OG1 2.91Å; E435-T437 VanDerWaalsContact C-N 3.33Å; E435-T437 PolarHBondContact O-N 3.36Å; T437-L440 PolarHBondContact O-N 3.08Å; T437-L441 WeakPolarHBondContact O-CB 3.32Å; T437-L441 VanDerWaalsContact O-CG 3.3Å; T437-L441 WeakPolarHBondContact O-CG 3.15Å; T437-L441 PolarHBondContact O-N 3.16Å |
| 438 | V | 76.8 | Confident | 78.3 | Confident | 91 Ų | 91 | 86.3 Ų | 86.3 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.7 | -39.7 | 173.4 | 170.3 | 0 | 0 | 0 | 0 | 111.8 | M434 E435 S442 | M434-V438 WeakPolarHBondContact O-CB 3.5Å; M434-V438 WeakPolarHBondContact O-CG2 3.26Å; M434-V438 PolarHBondContact O-N 2.93Å; E435-V438 PolarHBondContact O-N 3.14Å; V438-S442 WeakPolarHBondContact O-CB 3.37Å; V438-S442 PolarHBondContact O-N 2.84Å |
| 439 | T | 77.3 | Confident | 78.8 | Confident | 84 Ų | 84 | 86.4 Ų | 86.4 | 52% | 0.515 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.6 | -39.8 | 176.8 | 48.5 | 0 | 0 | 0 | 0 | 112.4 | E435 P436 S442 V443 | E435-T439 WeakPolarHBondContact O-CB 3.42Å; E435-T439 WeakPolarHBondContact O-CG2 3.46Å; E435-T439 PolarHBondContact O-N 3.11Å; E435-T439 PolarHBondContact O-OG1 2.91Å; P436-T439 WeakPolarHBondContact CA-OG1 3.37Å; P436-T439 PolarHBondContact O-OG1 3.36Å; T439-S442 WeakPolarHBondContact O-CB 3.18Å; T439-S442 PolarHBondContact O-N 3.23Å; T439-V443 WeakPolarHBondContact O-CG2 3.48Å; T439-V443 PolarHBondContact O-N 3.43Å |
| 440 | L | 84.2 | Confident | 79.5 | Confident | 100 Ų | 100 | 88.4 Ų | 88.4 | 52% | 0.524 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.5 | -50.3 | 172.9 | -177.4 | 64.3 | 0 | 0 | 0 | 111.8 | P436 T437 S442 V443 E444 | P436-L440 VanDerWaalsContact O-CB 3.31Å; P436-L440 WeakPolarHBondContact O-CB 3.46Å; P436-L440 PolarHBondContact O-N 3.35Å; T437-L440 PolarHBondContact O-N 3.08Å; L440-S442 PolarHBondContact O-N 3.49Å; L440-V443 PolarHBondContact O-N 2.89Å; L440-V443 VanDerWaalsContact O-N 3.07Å; L440-E444 WeakPolarHBondContact O-CG 3.46Å; L440-E444 PolarHBondContact O-N 3.33Å |
| 441 | L | 82.2 | Confident | 80 | Confident | 101 Ų | 101 | 89.3 Ų | 89.3 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -31.3 | 176.4 | -71.9 | 168.9 | 0 | 0 | 0 | 112.5 | T437 M445 | T437-L441 WeakPolarHBondContact O-CB 3.32Å; T437-L441 VanDerWaalsContact O-CG 3.3Å; T437-L441 WeakPolarHBondContact O-CG 3.15Å; T437-L441 PolarHBondContact O-N 3.16Å; L441-M445 WeakPolarHBondContact O-CB 3.2Å; L441-M445 WeakPolarHBondContact O-CG 3.33Å; L441-M445 PolarHBondContact O-N 3.17Å |
| 442 | S | 82.7 | Confident | 80.4 | Confident | 73 Ų | 73 | 92 Ų | 92 | 51% | 0.51 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.4 | -43.6 | 173 | -167.9 | 0 | 0 | 0 | 0 | 111.7 | V438 T439 L440 M445 T446 | V438-S442 WeakPolarHBondContact O-CB 3.37Å; V438-S442 PolarHBondContact O-N 2.84Å; T439-S442 WeakPolarHBondContact O-CB 3.18Å; T439-S442 PolarHBondContact O-N 3.23Å; L440-S442 PolarHBondContact O-N 3.49Å; S442-M445 CarbonylContact O-C 3.58Å; S442-M445 PolarHBondContact O-N 2.85Å; S442-T446 PolarHBondContact O-N 3.34Å; S442-T446 PolarHBondContact O-OG1 3.45Å |
| 443 | V | 88 | Confident | 80.8 | Confident | 93 Ų | 93 | 91.1 Ų | 91.1 | 56% | 0.564 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.4 | -46.7 | 176.1 | 171.4 | 0 | 0 | 0 | 0 | 111 | T439 L440 M445 T446 A447 | T439-V443 WeakPolarHBondContact O-CG2 3.48Å; T439-V443 PolarHBondContact O-N 3.43Å; L440-V443 PolarHBondContact O-N 2.89Å; L440-V443 VanDerWaalsContact O-N 3.07Å; V443-M445 VanDerWaalsContact C-N 3.34Å; V443-M445 PolarHBondContact O-N 3.09Å; V443-T446 WeakPolarHBondContact CA-OG1 3.31Å; V443-T446 PolarHBondContact O-N 2.88Å; V443-T446 PolarHBondContact O-OG1 3.01Å; V443-A447 PolarHBondContact O-N 2.73Å |
| 444 | E | 86.3 | Confident | 81.4 | Confident | 92 Ų | 92 | 97 Ų | 97 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 173.3 | -69.7 | 177.5 | 173.4 | 0 | 0 | 111.5 | L440 T446 A447 L448 | L440-E444 WeakPolarHBondContact O-CG 3.46Å; L440-E444 PolarHBondContact O-N 3.33Å; E444-T446 PolarHBondContact O-N 3.33Å; E444-A447 PolarHBondContact O-N 3.02Å; E444-L448 WeakPolarHBondContact O-CB 3.32Å; E444-L448 WeakPolarHBondContact O-CG 3.47Å; E444-L448 PolarHBondContact O-N 2.84Å |
| 445 | M | 81.3 | Confident | 81.8 | Confident | 109 Ų | 109 | 96.6 Ų | 96.6 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.1 | -18.6 | 174.8 | -79.3 | -74.6 | 160.8 | 0 | 0 | 113.9 | L441 S442 V443 K449 | L441-M445 WeakPolarHBondContact O-CB 3.2Å; L441-M445 WeakPolarHBondContact O-CG 3.33Å; L441-M445 PolarHBondContact O-N 3.17Å; S442-M445 CarbonylContact O-C 3.58Å; S442-M445 PolarHBondContact O-N 2.85Å; V443-M445 VanDerWaalsContact C-N 3.34Å; V443-M445 PolarHBondContact O-N 3.09Å; M445-K449 WeakPolarHBondContact O-CD 3.45Å; M445-K449 WeakPolarHBondContact O-CE 3.27Å; M445-K449 WeakPolarHBondContact O-CG 3.39Å; M445-K449 PolarHBondContact O-NZ 3.32Å |
| 446 | T | 85.1 | Confident | 82.3 | Confident | 67 Ų | 67 | 97 Ų | 97 | 41% | 0.411 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -83.8 | -42.3 | 167.2 | 44.9 | 0 | 0 | 0 | 0 | 112.1 | S442 V443 E444 L448 K449 E450 | S442-T446 PolarHBondContact O-N 3.34Å; S442-T446 PolarHBondContact O-OG1 3.45Å; V443-T446 WeakPolarHBondContact CA-OG1 3.31Å; V443-T446 PolarHBondContact O-N 2.88Å; V443-T446 PolarHBondContact O-OG1 3.01Å; E444-T446 PolarHBondContact O-N 3.33Å; T446-L448 PolarHBondContact O-N 3.24Å; T446-K449 WeakPolarHBondContact O-CB 3.42Å; T446-K449 PolarHBondContact O-N 2.67Å; T446-K449 VanDerWaalsContact O-N 3.12Å; T446-E450 PolarHBondContact O-N 3.33Å |
| 447 | A | 88.2 | Confident | 82.3 | Confident | 55 Ų | 55 | 98.1 Ų | 98.1 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V443 E444 K449 E450 E451 | V443-A447 PolarHBondContact O-N 2.73Å; E444-A447 PolarHBondContact O-N 3.02Å; A447-K449 VanDerWaalsContact C-N 3.31Å; A447-K449 PolarHBondContact O-N 2.65Å; A447-E450 PolarHBondContact O-N 3.3Å; A447-E451 PolarHBondContact O-N 3.26Å |
| 448 | L | 86.3 | Confident | 81.9 | Confident | 96 Ų | 96 | 98.3 Ų | 98.3 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68 | -27.2 | 176.1 | -68.9 | 170.6 | 0 | 0 | 0 | 113.2 | E444 T446 R452 | E444-L448 WeakPolarHBondContact O-CB 3.32Å; E444-L448 WeakPolarHBondContact O-CG 3.47Å; E444-L448 PolarHBondContact O-N 2.84Å; T446-L448 PolarHBondContact O-N 3.24Å; L448-R452 VanDerWaalsContact O-CB 3.24Å; L448-R452 WeakPolarHBondContact O-CB 3.34Å; L448-R452 PolarHBondContact O-N 3.49Å; L448-R452 VanDerWaalsContact O-N 3.09Å |
| 449 | K | 85.8 | Confident | 81.2 | Confident | 99 Ų | 99 | 98.6 Ų | 98.6 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.2 | -46 | 171 | -73.6 | 166.2 | -163 | 150.1 | 0 | 110.5 | M445 T446 A447 R452 D453 | M445-K449 WeakPolarHBondContact O-CD 3.45Å; M445-K449 WeakPolarHBondContact O-CE 3.27Å; M445-K449 WeakPolarHBondContact O-CG 3.39Å; M445-K449 PolarHBondContact O-NZ 3.32Å; T446-K449 WeakPolarHBondContact O-CB 3.42Å; T446-K449 PolarHBondContact O-N 2.67Å; T446-K449 VanDerWaalsContact O-N 3.12Å; A447-K449 VanDerWaalsContact C-N 3.31Å; A447-K449 PolarHBondContact O-N 2.65Å; K449-R452 PolarHBondContact O-N 3.31Å; K449-D453 WeakPolarHBondContact O-CB 3.42Å; K449-D453 PolarHBondContact O-N 2.87Å |
| 450 | E | 86.6 | Confident | 80.4 | Confident | 102 Ų | 102 | 98.7 Ų | 98.7 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 175.4 | -76 | -169.8 | -146.3 | 0 | 0 | 112.3 | T446 A447 D453 R454 | T446-E450 PolarHBondContact O-N 3.33Å; A447-E450 PolarHBondContact O-N 3.3Å; E450-D453 PolarHBondContact O-N 3.5Å; E450-R454 WeakPolarHBondContact O-CB 3.25Å; E450-R454 WeakPolarHBondContact O-CG 3.43Å; E450-R454 PolarHBondContact O-N 2.92Å; E450-R454 IonicContact OE2-CZ 3.67Å; E450-R454 IonicContact OE2-NE 3.92Å; E450-R454 IonicContact OE2-NH2 2.69Å; E450-R454 PolarHBondContact OE2-NH2 3.14Å |
| 451 | E | 84.4 | Confident | 79.4 | Confident | 112 Ų | 112 | 98 Ų | 98 | 52% | 0.523 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 176 | -174.5 | 178.5 | -158.6 | 0 | 0 | 111 | A447 D453 R454 L455 | A447-E451 PolarHBondContact O-N 3.26Å; E451-D453 VanDerWaalsContact C-N 3.31Å; E451-D453 PolarHBondContact O-N 3.31Å; E451-R454 PolarHBondContact O-N 3.03Å; E451-L455 HydrophobicContact CG-CD1 4.11Å; E451-L455 WeakPolarHBondContact O-CB 3.28Å; E451-L455 WeakPolarHBondContact O-CG 3.44Å; E451-L455 PolarHBondContact O-N 3.42Å |
| 452 | R | 82.5 | Confident | 78.5 | Confident | 131 Ų | 131 | 99.1 Ų | 99.1 | 49% | 0.494 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -37.9 | 175.6 | 175.2 | -97.3 | -73.5 | 156.1 | 3.4 | 112.5 | L448 K449 R456 | L448-R452 VanDerWaalsContact O-CB 3.24Å; L448-R452 WeakPolarHBondContact O-CB 3.34Å; L448-R452 PolarHBondContact O-N 3.49Å; L448-R452 VanDerWaalsContact O-N 3.09Å; K449-R452 PolarHBondContact O-N 3.31Å; R452-R456 VanDerWaalsContact O-CB 3.27Å; R452-R456 WeakPolarHBondContact O-CB 3.24Å; R452-R456 PolarHBondContact O-N 2.84Å |
| 453 | D | 81 | Confident | 77.8 | Confident | 67 Ų | 67 | 102 Ų | 102 | 36% | 0.358 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -77.5 | -31.2 | 178.9 | -72.8 | -32.3 | 0 | 0 | 0 | 112.6 | K449 E450 E451 R456 V457 | K449-D453 WeakPolarHBondContact O-CB 3.42Å; K449-D453 PolarHBondContact O-N 2.87Å; E450-D453 PolarHBondContact O-N 3.5Å; E451-D453 VanDerWaalsContact C-N 3.31Å; E451-D453 PolarHBondContact O-N 3.31Å; D453-R456 PolarHBondContact O-N 3.32Å; D453-V457 WeakPolarHBondContact O-CG2 3.38Å; D453-V457 PolarHBondContact O-N 3.27Å |
| 454 | R | 83.7 | Confident | 77.2 | Confident | 166 Ų | 166 | 101.5 Ų | 101.5 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.3 | -49.5 | 167.7 | -70.2 | 167.6 | -161.8 | -170.2 | 8 | 111.1 | E450 E451 R456 V457 T458 | E450-R454 WeakPolarHBondContact O-CB 3.25Å; E450-R454 WeakPolarHBondContact O-CG 3.43Å; E450-R454 PolarHBondContact O-N 2.92Å; E450-R454 IonicContact OE2-CZ 3.67Å; E450-R454 IonicContact OE2-NE 3.92Å; E450-R454 IonicContact OE2-NH2 2.69Å; E450-R454 PolarHBondContact OE2-NH2 3.14Å; E451-R454 PolarHBondContact O-N 3.03Å; R454-R456 VanDerWaalsContact C-N 3.26Å; R454-R456 PolarHBondContact O-N 2.9Å; R454-V457 PolarHBondContact O-N 3.36Å; R454-V457 VanDerWaalsContact O-N 3.13Å; R454-T458 PolarHBondContact O-N 3.44Å; R454-T458 PolarHBondContact O-OG1 2.87Å |
| 455 | L | 76.3 | Confident | 76.8 | Confident | 105 Ų | 105 | 103.7 Ų | 103.7 | 55% | 0.55 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.1 | -39.4 | 175.5 | -74.3 | 171.9 | 0 | 0 | 0 | 111.4 | E451 T458 S459 | E451-L455 HydrophobicContact CG-CD1 4.11Å; E451-L455 WeakPolarHBondContact O-CB 3.28Å; E451-L455 WeakPolarHBondContact O-CG 3.44Å; E451-L455 PolarHBondContact O-N 3.42Å; L455-T458 WeakPolarHBondContact CA-OG1 3.18Å; L455-T458 PolarHBondContact O-N 2.98Å; L455-T458 PolarHBondContact O-OG1 3.49Å; L455-S459 WeakPolarHBondContact O-CB 3.41Å; L455-S459 PolarHBondContact O-N 3.42Å |
| 456 | R | 79.9 | Confident | 76.9 | Confident | 143 Ų | 143 | 103.9 Ų | 103.9 | 54% | 0.54 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 173.6 | -177.7 | -179.2 | 168 | -167.4 | -9 | 111.6 | R452 D453 R454 T458 S459 E460 | R452-R456 VanDerWaalsContact O-CB 3.27Å; R452-R456 WeakPolarHBondContact O-CB 3.24Å; R452-R456 PolarHBondContact O-N 2.84Å; D453-R456 PolarHBondContact O-N 3.32Å; R454-R456 VanDerWaalsContact C-N 3.26Å; R454-R456 PolarHBondContact O-N 2.9Å; R456-T458 VanDerWaalsContact C-N 3.34Å; R456-T458 PolarHBondContact O-N 3.49Å; R456-S459 WeakPolarHBondContact CA-OG 3.39Å; R456-S459 CarbonylContact O-C 3.54Å; R456-S459 WeakPolarHBondContact O-CA 3.13Å; R456-S459 PolarHBondContact O-N 2.93Å; R456-S459 PolarHBondContact O-OG 2.89Å; R456-E460 IonicContact CZ-OE1 2.67Å; R456-E460 IonicContact NE-OE1 2.65Å; R456-E460 PolarHBondContact NE-OE1 3.03Å; R456-E460 IonicContact NH2-OE1 3.96Å; R456-E460 PolarHBondContact NH2-OE1 2.97Å; R456-E460 PolarHBondContact O-N 2.7Å |
| 457 | V | 73.9 | Confident | 77 | Confident | 97 Ų | 97 | 106.8 Ų | 106.8 | 59% | 0.588 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -56.8 | -47.6 | 176.4 | 168.6 | 0 | 0 | 0 | 0 | 110.7 | D453 R454 S459 E460 D461 | D453-V457 WeakPolarHBondContact O-CG2 3.38Å; D453-V457 PolarHBondContact O-N 3.27Å; R454-V457 PolarHBondContact O-N 3.36Å; R454-V457 VanDerWaalsContact O-N 3.13Å; V457-S459 VanDerWaalsContact C-N 3.27Å; V457-S459 PolarHBondContact O-N 2.96Å; V457-E460 CarbonylContact O-C 3.55Å; V457-E460 WeakPolarHBondContact O-CA 3.2Å; V457-E460 PolarHBondContact O-N 3.44Å; V457-D461 PolarHBondContact O-N 3.27Å |
| 458 | T | 66.8 | Low | 76.9 | Confident | 81 Ų | 81 | 109.3 Ų | 109.3 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.1 | -25.2 | 176.2 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | R454 L455 R456 E460 D461 | R454-T458 PolarHBondContact O-N 3.44Å; R454-T458 PolarHBondContact O-OG1 2.87Å; L455-T458 WeakPolarHBondContact CA-OG1 3.18Å; L455-T458 PolarHBondContact O-N 2.98Å; L455-T458 PolarHBondContact O-OG1 3.49Å; R456-T458 VanDerWaalsContact C-N 3.34Å; R456-T458 PolarHBondContact O-N 3.49Å; T458-E460 VanDerWaalsContact C-N 3.32Å; T458-D461 WeakPolarHBondContact CA-OD2 3.41Å; T458-D461 WeakPolarHBondContact O-CB 3.17Å; T458-D461 VanDerWaalsContact O-CG 3.32Å; T458-D461 PolarHBondContact O-N 3.48Å |
| 459 | S | 62.3 | Low | 77.1 | Confident | 97 Ų | 97 | 109.4 Ų | 109.4 | 68% | 0.678 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -77.8 | -19.4 | 171.3 | 78.3 | 0 | 0 | 0 | 0 | 113.2 | L455 R456 V457 | L455-S459 WeakPolarHBondContact O-CB 3.41Å; L455-S459 PolarHBondContact O-N 3.42Å; R456-S459 WeakPolarHBondContact CA-OG 3.39Å; R456-S459 CarbonylContact O-C 3.54Å; R456-S459 WeakPolarHBondContact O-CA 3.13Å; R456-S459 PolarHBondContact O-N 2.93Å; R456-S459 PolarHBondContact O-OG 2.89Å; V457-S459 VanDerWaalsContact C-N 3.27Å; V457-S459 PolarHBondContact O-N 2.96Å |
| 460 | E | 61.1 | Low | 77.4 | Confident | 86 Ų | 86 | 110.9 Ų | 110.9 | 40% | 0.402 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 9.7 | 172.9 | -68.9 | -171.2 | -153.8 | 0 | 0 | 112.4 | R456 V457 T458 K462 | R456-E460 IonicContact CZ-OE1 2.67Å; R456-E460 IonicContact NE-OE1 2.65Å; R456-E460 PolarHBondContact NE-OE1 3.03Å; R456-E460 IonicContact NH2-OE1 3.96Å; R456-E460 PolarHBondContact NH2-OE1 2.97Å; R456-E460 PolarHBondContact O-N 2.7Å; V457-E460 CarbonylContact O-C 3.55Å; V457-E460 WeakPolarHBondContact O-CA 3.2Å; V457-E460 PolarHBondContact O-N 3.44Å; T458-E460 VanDerWaalsContact C-N 3.32Å; E460-K462 WeakPolarHBondContact O-CG 3.4Å; E460-K462 PolarHBondContact O-N 2.9Å |
| 461 | D | 62.2 | Low | 77.7 | Confident | 87 Ų | 87 | 108.7 Ų | 108.7 | 47% | 0.465 | 53% | 0.533 | S | S | . | . | trans | -59.7 | 99.9 | 174.2 | -78.4 | -21.5 | 0 | 0 | 0 | 110.5 | V457 T458 E463 P464 | V457-D461 PolarHBondContact O-N 3.27Å; T458-D461 WeakPolarHBondContact CA-OD2 3.41Å; T458-D461 WeakPolarHBondContact O-CB 3.17Å; T458-D461 VanDerWaalsContact O-CG 3.32Å; T458-D461 PolarHBondContact O-N 3.48Å; D461-E463 VanDerWaalsContact C-N 3.3Å; D461-P464 WeakPolarHBondContact O-CD 3.42Å | ||
| 462 | K | 63.4 | Low | 78.1 | Confident | 123 Ų | 123 | 106.6 Ų | 106.6 | 54% | 0.535 | 53% | 0.525 | S | S | . | . | trans | -74.9 | -22.2 | -179.5 | -68.8 | 140.2 | -163.7 | 162.7 | 0 | 112.1 | E460 K465 E466 | E460-K462 WeakPolarHBondContact O-CG 3.4Å; E460-K462 PolarHBondContact O-N 2.9Å; K462-K465 CarbonylContact O-C 3.56Å; K462-K465 WeakPolarHBondContact O-CA 3.37Å; K462-K465 WeakPolarHBondContact O-CB 3.27Å; K462-K465 PolarHBondContact O-N 3.39Å; K462-E466 HydrophobicContact CB-CG 4.25Å; K462-E466 WeakPolarHBondContact CB-OE1 3.27Å; K462-E466 WeakPolarHBondContact O-CG 3.42Å; K462-E466 PolarHBondContact O-N 3.44Å | ||
| 463 | E | 69.6 | Low | 78.7 | Confident | 133 Ų | 133 | 106.9 Ų | 106.9 | 62% | 0.621 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -51.4 | -54 | -174.6 | -57.8 | -167 | 167.5 | 0 | 0 | 114.3 | D461 K465 E466 Q467 | D461-E463 VanDerWaalsContact C-N 3.3Å; E463-K465 PolarHBondContact O-N 3.42Å; E463-E466 PolarHBondContact O-N 3.03Å; E463-Q467 WeakPolarHBondContact O-CB 3.4Å; E463-Q467 WeakPolarHBondContact O-CG 3.33Å; E463-Q467 PolarHBondContact O-N 2.84Å |
| 464 | P | 73.7 | Confident | 79.4 | Confident | 83 Ų | 83 | 107.8 Ų | 107.8 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.4 | -29.6 | 176.6 | 24.2 | -35.2 | 0 | 0 | 0 | 113.2 | D461 L468 | D461-P464 WeakPolarHBondContact O-CD 3.42Å; P464-L468 VanDerWaalsContact O-CB 3.27Å; P464-L468 WeakPolarHBondContact O-CB 3.36Å; P464-L468 PolarHBondContact O-N 3.49Å |
| 465 | K | 79.7 | Confident | 80 | Confident | 138 Ų | 138 | 106.4 Ų | 106.4 | 60% | 0.6 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -76.5 | -36.8 | 178.1 | -170.3 | 177.2 | -177.1 | 176 | 0 | 112 | K462 E463 Q469 | K462-K465 CarbonylContact O-C 3.56Å; K462-K465 WeakPolarHBondContact O-CA 3.37Å; K462-K465 WeakPolarHBondContact O-CB 3.27Å; K462-K465 PolarHBondContact O-N 3.39Å; E463-K465 PolarHBondContact O-N 3.42Å; K465-Q469 WeakPolarHBondContact O-CB 3.27Å; K465-Q469 VanDerWaalsContact O-CG 3.31Å; K465-Q469 WeakPolarHBondContact O-CG 3.44Å; K465-Q469 PolarHBondContact O-N 2.72Å |
| 466 | E | 83.4 | Confident | 81 | Confident | 114 Ų | 114 | 104.7 Ų | 104.7 | 53% | 0.533 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -74.2 | -39 | 175.3 | -72.1 | 177.6 | -167 | 0 | 0 | 111.3 | K462 E463 Q469 K470 | K462-E466 HydrophobicContact CB-CG 4.25Å; K462-E466 WeakPolarHBondContact CB-OE1 3.27Å; K462-E466 WeakPolarHBondContact O-CG 3.42Å; K462-E466 PolarHBondContact O-N 3.44Å; E463-E466 PolarHBondContact O-N 3.03Å; E466-Q469 PolarHBondContact O-N 3.04Å; E466-K470 WeakPolarHBondContact O-CB 3.4Å; E466-K470 PolarHBondContact O-N 3.3Å |
| 467 | Q | 86.2 | Confident | 81.8 | Confident | 127 Ų | 127 | 102.7 Ų | 102.7 | 59% | 0.593 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.1 | -44.8 | 169.2 | -71.2 | 171.2 | 25.4 | 0 | 0 | 111.2 | E463 K470 A471 | E463-Q467 WeakPolarHBondContact O-CB 3.4Å; E463-Q467 WeakPolarHBondContact O-CG 3.33Å; E463-Q467 PolarHBondContact O-N 2.84Å; Q467-K470 PolarHBondContact O-N 2.98Å; Q467-A471 WeakPolarHBondContact O-CB 3.3Å; Q467-A471 PolarHBondContact O-N 2.91Å |
| 468 | L | 86.4 | Confident | 82.8 | Confident | 108 Ų | 108 | 100.8 Ų | 100.8 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.8 | -44.1 | 174.2 | 179.9 | 62.3 | 0 | 0 | 0 | 112 | P464 K470 A471 I472 | P464-L468 VanDerWaalsContact O-CB 3.27Å; P464-L468 WeakPolarHBondContact O-CB 3.36Å; P464-L468 PolarHBondContact O-N 3.49Å; L468-K470 VanDerWaalsContact C-N 3.3Å; L468-K470 PolarHBondContact O-N 2.65Å; L468-A471 PolarHBondContact O-N 3.36Å; L468-I472 HydrophobicContact CD1-CD1 4.32Å; L468-I472 HydrophobicContact CG-CD1 4.11Å; L468-I472 VanDerWaalsContact O-CG1 3.27Å; L468-I472 WeakPolarHBondContact O-CG1 3.48Å; L468-I472 PolarHBondContact O-N 2.96Å |
| 469 | Q | 89.9 | Confident | 84.1 | Confident | 98 Ų | 98 | 100.6 Ų | 100.6 | 46% | 0.458 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -35.2 | 175 | -77.3 | -179.6 | 14.2 | 0 | 0 | 112.7 | K465 E466 K473 | K465-Q469 WeakPolarHBondContact O-CB 3.27Å; K465-Q469 VanDerWaalsContact O-CG 3.31Å; K465-Q469 WeakPolarHBondContact O-CG 3.44Å; K465-Q469 PolarHBondContact O-N 2.72Å; E466-Q469 PolarHBondContact O-N 3.04Å; Q469-K473 WeakPolarHBondContact O-CG 3.43Å; Q469-K473 PolarHBondContact O-N 3.47Å; Q469-K473 VanDerWaalsContact O-N 3.08Å |
| 470 | K | 91.8 | Very high | 85.8 | Confident | 131 Ų | 131 | 98.8 Ų | 98.8 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.9 | -49.7 | 174 | -171.5 | -178.4 | 175.7 | -175.3 | 0 | 110.7 | E466 Q467 L468 I472 K473 D474 | E466-K470 WeakPolarHBondContact O-CB 3.4Å; E466-K470 PolarHBondContact O-N 3.3Å; Q467-K470 PolarHBondContact O-N 2.98Å; L468-K470 VanDerWaalsContact C-N 3.3Å; L468-K470 PolarHBondContact O-N 2.65Å; K470-I472 PolarHBondContact O-N 2.9Å; K470-K473 WeakPolarHBondContact O-CA 3.46Å; K470-K473 WeakPolarHBondContact O-CB 3.26Å; K470-K473 PolarHBondContact O-N 3.45Å; K470-D474 WeakPolarHBondContact O-CB 3.49Å; K470-D474 PolarHBondContact O-N 2.84Å |
| 471 | A | 92.7 | Very high | 87.4 | Confident | 56 Ų | 56 | 100.6 Ų | 100.6 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.2 | -34.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | Q467 L468 R475 | Q467-A471 WeakPolarHBondContact O-CB 3.3Å; Q467-A471 PolarHBondContact O-N 2.91Å; L468-A471 PolarHBondContact O-N 3.36Å; A471-R475 VanDerWaalsContact O-CB 3.23Å; A471-R475 WeakPolarHBondContact O-CB 3.49Å; A471-R475 PolarHBondContact O-N 2.79Å |
| 472 | I | 93 | Very high | 89.1 | Confident | 67 Ų | 67 | 101.8 Ų | 101.8 | 34% | 0.344 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.1 | -46.8 | 172 | -70.5 | 163.8 | 0 | 0 | 0 | 111.2 | L468 K470 R475 D476 | L468-I472 HydrophobicContact CD1-CD1 4.32Å; L468-I472 HydrophobicContact CG-CD1 4.11Å; L468-I472 VanDerWaalsContact O-CG1 3.27Å; L468-I472 WeakPolarHBondContact O-CG1 3.48Å; L468-I472 PolarHBondContact O-N 2.96Å; K470-I472 PolarHBondContact O-N 2.9Å; I472-R475 WeakPolarHBondContact O-CB 3.37Å; I472-R475 PolarHBondContact O-N 3.4Å; I472-D476 WeakPolarHBondContact O-CB 3.31Å; I472-D476 PolarHBondContact O-N 3.49Å |
| 473 | K | 95.7 | Very high | 90.7 | Very high | 138 Ų | 138 | 99.6 Ų | 99.6 | 60% | 0.6 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.8 | -46.9 | 176.2 | -71.3 | 168.4 | -178 | 175 | 0 | 111.9 | Q469 K470 R475 D476 E477 | Q469-K473 WeakPolarHBondContact O-CG 3.43Å; Q469-K473 PolarHBondContact O-N 3.47Å; Q469-K473 VanDerWaalsContact O-N 3.08Å; K470-K473 WeakPolarHBondContact O-CA 3.46Å; K470-K473 WeakPolarHBondContact O-CB 3.26Å; K470-K473 PolarHBondContact O-N 3.45Å; K473-R475 VanDerWaalsContact C-N 3.3Å; K473-R475 PolarHBondContact O-N 3.06Å; K473-D476 PolarHBondContact O-N 2.89Å; K473-D476 VanDerWaalsContact O-N 3.13Å; K473-E477 WeakPolarHBondContact O-CB 3.46Å; K473-E477 PolarHBondContact O-N 3.16Å |
| 474 | D | 96.1 | Very high | 92 | Very high | 85 Ų | 85 | 95.8 Ų | 95.8 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 179.9 | -61.2 | -9.5 | 0 | 0 | 0 | 110.6 | K470 A478 | K470-D474 WeakPolarHBondContact O-CB 3.49Å; K470-D474 PolarHBondContact O-N 2.84Å; D474-A478 WeakPolarHBondContact O-CB 3.49Å; D474-A478 PolarHBondContact O-N 3.07Å |
| 475 | R | 96.4 | Very high | 93.1 | Very high | 137 Ų | 137 | 96.4 Ų | 96.4 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 171.3 | -179.1 | -158.5 | 71.6 | -174.7 | -2.5 | 111.9 | A471 I472 K473 A478 I479 | A471-R475 VanDerWaalsContact O-CB 3.23Å; A471-R475 WeakPolarHBondContact O-CB 3.49Å; A471-R475 PolarHBondContact O-N 2.79Å; I472-R475 WeakPolarHBondContact O-CB 3.37Å; I472-R475 PolarHBondContact O-N 3.4Å; K473-R475 VanDerWaalsContact C-N 3.3Å; K473-R475 PolarHBondContact O-N 3.06Å; R475-A478 WeakPolarHBondContact O-CB 3.41Å; R475-A478 PolarHBondContact O-N 3.26Å; R475-I479 HydrophobicContact CG-CD1 3.98Å; R475-I479 WeakPolarHBondContact O-CG1 3.46Å; R475-I479 PolarHBondContact O-N 3.37Å |
| 476 | D | 96.6 | Very high | 93.8 | Very high | 69 Ų | 69 | 94.3 Ų | 94.3 | 37% | 0.369 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.5 | -33.2 | -174.4 | -67.1 | -14 | 0 | 0 | 0 | 111.6 | I472 K473 I479 A480 | I472-D476 WeakPolarHBondContact O-CB 3.31Å; I472-D476 PolarHBondContact O-N 3.49Å; K473-D476 PolarHBondContact O-N 2.89Å; K473-D476 VanDerWaalsContact O-N 3.13Å; D476-I479 PolarHBondContact O-N 3.28Å; D476-A480 WeakPolarHBondContact O-CB 3.43Å; D476-A480 PolarHBondContact O-N 2.94Å |
| 477 | E | 96.2 | Very high | 94.4 | Very high | 102 Ų | 102 | 94.8 Ų | 94.8 | 48% | 0.477 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 168.7 | -168 | -175.3 | 147.6 | 0 | 0 | 111.7 | K473 I479 A480 K481 | K473-E477 WeakPolarHBondContact O-CB 3.46Å; K473-E477 PolarHBondContact O-N 3.16Å; E477-I479 VanDerWaalsContact C-N 3.35Å; E477-A480 PolarHBondContact O-N 3.07Å; E477-K481 HydrophobicContact CG-CD 4.46Å; E477-K481 WeakPolarHBondContact O-CG 3.45Å; E477-K481 PolarHBondContact O-N 3.01Å; E477-K481 WeakPolarHBondContact OE1-CE 3.21Å; E477-K481 IonicContact OE1-NZ 3.88Å; E477-K481 PolarHBondContact OE1-NZ 2.81Å |
| 478 | A | 95.3 | Very high | 94.9 | Very high | 56 Ų | 56 | 93.5 Ų | 93.5 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D474 R475 K481 K482 | D474-A478 WeakPolarHBondContact O-CB 3.49Å; D474-A478 PolarHBondContact O-N 3.07Å; R475-A478 WeakPolarHBondContact O-CB 3.41Å; R475-A478 PolarHBondContact O-N 3.26Å; A478-K481 PolarHBondContact O-N 2.79Å; A478-K482 WeakPolarHBondContact O-CB 3.47Å; A478-K482 PolarHBondContact O-N 3.32Å |
| 479 | I | 94.6 | Very high | 95.4 | Very high | 77 Ų | 77 | 92.3 Ų | 92.3 | 40% | 0.395 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 172.6 | -69.4 | 165.2 | 0 | 0 | 0 | 110.6 | R475 D476 E477 K481 K482 N483 | R475-I479 HydrophobicContact CG-CD1 3.98Å; R475-I479 WeakPolarHBondContact O-CG1 3.46Å; R475-I479 PolarHBondContact O-N 3.37Å; D476-I479 PolarHBondContact O-N 3.28Å; E477-I479 VanDerWaalsContact C-N 3.35Å; I479-K481 PolarHBondContact O-N 3.44Å; I479-K482 PolarHBondContact O-N 2.71Å; I479-N483 WeakPolarHBondContact O-CB 3.29Å; I479-N483 PolarHBondContact O-N 3Å; I479-N483 PolarHBondContact O-OD1 3.21Å |
| 480 | A | 96.8 | Very high | 95.8 | Very high | 59 Ų | 59 | 89.7 Ų | 89.7 | 49% | 0.488 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | D476 E477 N483 A484 | D476-A480 WeakPolarHBondContact O-CB 3.43Å; D476-A480 PolarHBondContact O-N 2.94Å; E477-A480 PolarHBondContact O-N 3.07Å; A480-N483 PolarHBondContact O-N 2.95Å; A480-A484 PolarHBondContact O-N 3Å |
| 481 | K | 96.3 | Very high | 96 | Very high | 125 Ų | 125 | 88.3 Ų | 88.3 | 54% | 0.543 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 174.9 | -72.4 | 171.7 | -176.6 | 170.1 | 0 | 112.2 | E477 A478 I479 A484 V485 | E477-K481 HydrophobicContact CG-CD 4.46Å; E477-K481 WeakPolarHBondContact O-CG 3.45Å; E477-K481 PolarHBondContact O-N 3.01Å; E477-K481 WeakPolarHBondContact OE1-CE 3.21Å; E477-K481 IonicContact OE1-NZ 3.88Å; E477-K481 PolarHBondContact OE1-NZ 2.81Å; A478-K481 PolarHBondContact O-N 2.79Å; I479-K481 PolarHBondContact O-N 3.44Å; K481-A484 PolarHBondContact O-N 3.38Å; K481-V485 WeakPolarHBondContact O-CG2 3.45Å; K481-V485 PolarHBondContact O-N 3.43Å |
| 482 | K | 97.3 | Very high | 96.2 | Very high | 112 Ų | 112 | 89.2 Ų | 89.2 | 49% | 0.487 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.1 | -50.8 | 174.1 | 178.2 | -174.9 | 175.6 | -77.2 | 0 | 111 | A478 I479 A484 V485 E486 | A478-K482 WeakPolarHBondContact O-CB 3.47Å; A478-K482 PolarHBondContact O-N 3.32Å; I479-K482 PolarHBondContact O-N 2.71Å; K482-A484 VanDerWaalsContact C-N 3.31Å; K482-A484 PolarHBondContact O-N 3.19Å; K482-V485 PolarHBondContact O-N 2.86Å; K482-E486 WeakPolarHBondContact CE-OE1 3.43Å; K482-E486 IonicContact NZ-OE1 3.49Å; K482-E486 PolarHBondContact NZ-OE1 2.9Å; K482-E486 IonicContact NZ-OE2 3.16Å; K482-E486 PolarHBondContact NZ-OE2 3.02Å; K482-E486 WeakPolarHBondContact O-CG 3.38Å; K482-E486 PolarHBondContact O-N 2.8Å |
| 483 | N | 96.3 | Very high | 96.5 | Very high | 76 Ų | 76 | 93.1 Ų | 93.1 | 41% | 0.406 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.8 | -37.9 | -178 | -65.3 | -5.5 | 0 | 0 | 0 | 111.7 | I479 A480 E486 L487 | I479-N483 WeakPolarHBondContact O-CB 3.29Å; I479-N483 PolarHBondContact O-N 3Å; I479-N483 PolarHBondContact O-OD1 3.21Å; A480-N483 PolarHBondContact O-N 2.95Å; N483-E486 PolarHBondContact O-N 2.87Å; N483-L487 WeakPolarHBondContact O-CG 3.45Å; N483-L487 PolarHBondContact O-N 2.85Å |
| 484 | A | 97.1 | Very high | 96.5 | Very high | 53 Ų | 53 | 93 Ų | 93 | 44% | 0.438 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A480 K481 K482 L487 E488 | A480-A484 PolarHBondContact O-N 3Å; K481-A484 PolarHBondContact O-N 3.38Å; K482-A484 VanDerWaalsContact C-N 3.31Å; K482-A484 PolarHBondContact O-N 3.19Å; A484-L487 PolarHBondContact O-N 3.4Å; A484-E488 PolarHBondContact O-N 3.38Å |
| 485 | V | 96.5 | Very high | 96.6 | Very high | 96 Ų | 96 | 92.9 Ų | 92.9 | 58% | 0.582 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.5 | -37.9 | 174.9 | 173 | 0 | 0 | 0 | 0 | 111.5 | K481 K482 L487 L489 | K481-V485 WeakPolarHBondContact O-CG2 3.45Å; K481-V485 PolarHBondContact O-N 3.43Å; K482-V485 PolarHBondContact O-N 2.86Å; V485-L487 VanDerWaalsContact C-N 3.34Å; V485-L489 WeakPolarHBondContact O-CB 3.07Å; V485-L489 PolarHBondContact O-N 2.86Å |
| 486 | E | 94.1 | Very high | 96.6 | Very high | 94 Ų | 94 | 92.2 Ų | 92.2 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.1 | -33 | 175.7 | -75 | 177.4 | 146.2 | 0 | 0 | 112.8 | K482 N483 A490 | K482-E486 WeakPolarHBondContact CE-OE1 3.43Å; K482-E486 IonicContact NZ-OE1 3.49Å; K482-E486 PolarHBondContact NZ-OE1 2.9Å; K482-E486 IonicContact NZ-OE2 3.16Å; K482-E486 PolarHBondContact NZ-OE2 3.02Å; K482-E486 WeakPolarHBondContact O-CG 3.38Å; K482-E486 PolarHBondContact O-N 2.8Å; N483-E486 PolarHBondContact O-N 2.87Å; E486-A490 WeakPolarHBondContact O-CB 3.38Å; E486-A490 PolarHBondContact O-N 2.8Å |
| 487 | L | 97.4 | Very high | 96.6 | Very high | 125 Ų | 125 | 95 Ų | 95 | 65% | 0.654 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.5 | -47.8 | 173.5 | -74.6 | 167.8 | 0 | 0 | 0 | 112.4 | N483 A484 V485 L489 A490 K491 | N483-L487 WeakPolarHBondContact O-CG 3.45Å; N483-L487 PolarHBondContact O-N 2.85Å; A484-L487 PolarHBondContact O-N 3.4Å; V485-L487 VanDerWaalsContact C-N 3.34Å; L487-L489 VanDerWaalsContact C-N 3.32Å; L487-L489 PolarHBondContact O-N 3.28Å; L487-A490 WeakPolarHBondContact O-CB 3.22Å; L487-A490 PolarHBondContact O-N 2.9Å; L487-K491 WeakPolarHBondContact O-CB 3.4Å; L487-K491 PolarHBondContact O-N 2.79Å |
| 488 | E | 96.2 | Very high | 96.7 | Very high | 100 Ų | 100 | 92.8 Ų | 92.8 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -37 | 175.6 | -73.9 | -64.1 | 161 | 0 | 0 | 111.5 | A484 A490 K491 C492 | A484-E488 PolarHBondContact O-N 3.38Å; E488-A490 VanDerWaalsContact C-N 3.35Å; E488-A490 PolarHBondContact O-N 3.47Å; E488-K491 WeakPolarHBondContact O-CB 3.47Å; E488-K491 PolarHBondContact O-N 3.49Å; E488-K491 IonicContact OE1-NZ 3.55Å; E488-K491 PolarHBondContact OE1-NZ 3.22Å; E488-K491 IonicContact OE2-NZ 2.68Å; E488-K491 PolarHBondContact OE2-NZ 3.05Å; E488-C492 PolarHBondContact O-N 3.09Å; E488-C492 PolarHBondContact O-SG 3.32Å |
| 489 | L | 97.7 | Very high | 96.8 | Very high | 83 Ų | 83 | 95.5 Ų | 95.5 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.4 | -32.4 | 173.9 | -178.1 | 146.7 | 0 | 0 | 0 | 112.8 | V485 L487 R493 | V485-L489 WeakPolarHBondContact O-CB 3.07Å; V485-L489 PolarHBondContact O-N 2.86Å; L487-L489 VanDerWaalsContact C-N 3.32Å; L487-L489 PolarHBondContact O-N 3.28Å; L489-R493 WeakPolarHBondContact O-CD 3.47Å; L489-R493 VanDerWaalsContact O-CG 3.28Å; L489-R493 WeakPolarHBondContact O-CG 3.42Å; L489-R493 PolarHBondContact O-N 3.26Å |
| 490 | A | 96.9 | Very high | 96.9 | Very high | 42 Ų | 42 | 96.2 Ų | 96.2 | 35% | 0.347 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.6 | -41.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E486 L487 E488 R493 M494 | E486-A490 WeakPolarHBondContact O-CB 3.38Å; E486-A490 PolarHBondContact O-N 2.8Å; L487-A490 WeakPolarHBondContact O-CB 3.22Å; L487-A490 PolarHBondContact O-N 2.9Å; E488-A490 VanDerWaalsContact C-N 3.35Å; E488-A490 PolarHBondContact O-N 3.47Å; A490-R493 WeakPolarHBondContact O-CB 3.16Å; A490-R493 PolarHBondContact O-N 2.68Å; A490-M494 WeakPolarHBondContact O-CG 3.38Å; A490-M494 PolarHBondContact O-N 2.88Å |
| 491 | K | 97.7 | Very high | 96.9 | Very high | 102 Ų | 102 | 96.3 Ų | 96.3 | 44% | 0.443 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.9 | -51 | 175.4 | 174.8 | 172.8 | 148.9 | -134.7 | 0 | 111.8 | L487 E488 R493 M494 D495 | L487-K491 WeakPolarHBondContact O-CB 3.4Å; L487-K491 PolarHBondContact O-N 2.79Å; E488-K491 WeakPolarHBondContact O-CB 3.47Å; E488-K491 PolarHBondContact O-N 3.49Å; E488-K491 IonicContact OE1-NZ 3.55Å; E488-K491 PolarHBondContact OE1-NZ 3.22Å; E488-K491 IonicContact OE2-NZ 2.68Å; E488-K491 PolarHBondContact OE2-NZ 3.05Å; K491-R493 PolarHBondContact O-N 2.78Å; K491-R493 VanDerWaalsContact O-N 3.15Å; K491-M494 CarbonylContact O-C 3.57Å; K491-M494 WeakPolarHBondContact O-CA 3.26Å; K491-M494 WeakPolarHBondContact O-CB 3.31Å; K491-M494 PolarHBondContact O-N 3.41Å; K491-D495 VanDerWaalsContact O-CG 3.28Å; K491-D495 PolarHBondContact O-N 2.89Å |
| 492 | C | 96.6 | Very high | 97 | Very high | 75 Ų | 75 | 96 Ų | 96 | 51% | 0.507 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.8 | -30.5 | 174.9 | -65.2 | 0 | 0 | 0 | 0 | 113.4 | E488 M496 | E488-C492 PolarHBondContact O-N 3.09Å; E488-C492 PolarHBondContact O-SG 3.32Å; C492-M496 VanDerWaalsContact O-CB 3.29Å; C492-M496 WeakPolarHBondContact O-CB 3.41Å; C492-M496 PolarHBondContact O-N 3.35Å |
| 493 | R | 97.7 | Very high | 97 | Very high | 149 Ų | 149 | 95.4 Ų | 95.4 | 56% | 0.562 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.8 | -41.4 | 171.4 | -76.7 | 168.3 | 171.9 | 173.2 | -1.5 | 112.1 | L489 A490 K491 M496 M497 | L489-R493 WeakPolarHBondContact O-CD 3.47Å; L489-R493 VanDerWaalsContact O-CG 3.28Å; L489-R493 WeakPolarHBondContact O-CG 3.42Å; L489-R493 PolarHBondContact O-N 3.26Å; A490-R493 WeakPolarHBondContact O-CB 3.16Å; A490-R493 PolarHBondContact O-N 2.68Å; K491-R493 PolarHBondContact O-N 2.78Å; K491-R493 VanDerWaalsContact O-N 3.15Å; R493-M496 PolarHBondContact O-N 3.18Å; R493-M497 WeakPolarHBondContact O-CB 3.11Å; R493-M497 VanDerWaalsContact O-CG 3.25Å; R493-M497 WeakPolarHBondContact O-CG 3.46Å; R493-M497 PolarHBondContact O-N 3.41Å |
| 494 | M | 97.1 | Very high | 97.1 | Very high | 135 Ų | 135 | 96 Ų | 96 | 67% | 0.665 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.2 | -43.4 | 174.2 | -68.7 | 176.1 | 61.6 | 0 | 0 | 111.4 | A490 K491 M496 M497 S498 | A490-M494 WeakPolarHBondContact O-CG 3.38Å; A490-M494 PolarHBondContact O-N 2.88Å; K491-M494 CarbonylContact O-C 3.57Å; K491-M494 WeakPolarHBondContact O-CA 3.26Å; K491-M494 WeakPolarHBondContact O-CB 3.31Å; K491-M494 PolarHBondContact O-N 3.41Å; M494-M496 PolarHBondContact O-N 2.86Å; M494-M497 PolarHBondContact O-N 3.3Å; M494-S498 PolarHBondContact O-N 2.88Å; M494-S498 PolarHBondContact O-OG 3.17Å |
| 495 | D | 97.7 | Very high | 97.1 | Very high | 83 Ų | 83 | 96.8 Ų | 96.8 | 44% | 0.444 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.5 | -49.1 | 176.1 | -60.6 | -33 | 0 | 0 | 0 | 110.3 | K491 M497 S498 L499 | K491-D495 VanDerWaalsContact O-CG 3.28Å; K491-D495 PolarHBondContact O-N 2.89Å; D495-M497 PolarHBondContact O-N 2.91Å; D495-S498 PolarHBondContact O-N 3.3Å; D495-S498 PolarHBondContact O-OG 2.78Å; D495-L499 WeakPolarHBondContact O-CB 3.32Å; D495-L499 PolarHBondContact O-N 2.84Å |
| 496 | M | 97.3 | Very high | 97.2 | Very high | 124 Ų | 124 | 94.6 Ų | 94.6 | 61% | 0.611 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.2 | -40.9 | 174.8 | -174.6 | -172.5 | 73 | 0 | 0 | 112.8 | C492 R493 M494 N500 | C492-M496 VanDerWaalsContact O-CB 3.29Å; C492-M496 WeakPolarHBondContact O-CB 3.41Å; C492-M496 PolarHBondContact O-N 3.35Å; R493-M496 PolarHBondContact O-N 3.18Å; M494-M496 PolarHBondContact O-N 2.86Å; M496-N500 VanDerWaalsContact O-CB 3.28Å; M496-N500 WeakPolarHBondContact O-CB 3.48Å; M496-N500 PolarHBondContact O-N 3.47Å |
| 497 | M | 96.7 | Very high | 97.3 | Very high | 126 Ų | 126 | 94.5 Ų | 94.5 | 62% | 0.621 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66 | -41.5 | 176 | -75.1 | 175.3 | -178.9 | 0 | 0 | 112 | R493 M494 D495 N500 S501 | R493-M497 WeakPolarHBondContact O-CB 3.11Å; R493-M497 VanDerWaalsContact O-CG 3.25Å; R493-M497 WeakPolarHBondContact O-CG 3.46Å; R493-M497 PolarHBondContact O-N 3.41Å; M494-M497 PolarHBondContact O-N 3.3Å; D495-M497 PolarHBondContact O-N 2.91Å; M497-N500 PolarHBondContact O-N 3.12Å; M497-S501 PolarHBondContact O-N 3.37Å |
| 498 | S | 97.4 | Very high | 97.3 | Very high | 57 Ų | 57 | 93.7 Ų | 93.7 | 40% | 0.399 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.3 | -41.9 | 178.2 | 73 | 0 | 0 | 0 | 0 | 112.3 | M494 D495 N500 S501 Q502 | M494-S498 PolarHBondContact O-N 2.88Å; M494-S498 PolarHBondContact O-OG 3.17Å; D495-S498 PolarHBondContact O-N 3.3Å; D495-S498 PolarHBondContact O-OG 2.78Å; S498-N500 VanDerWaalsContact C-N 3.34Å; S498-N500 PolarHBondContact O-N 2.85Å; S498-S501 WeakPolarHBondContact O-CB 3.29Å; S498-S501 PolarHBondContact O-N 3.09Å; S498-Q502 WeakPolarHBondContact O-CG 3.44Å; S498-Q502 PolarHBondContact O-N 3.15Å |
| 499 | L | 97.5 | Very high | 97.3 | Very high | 112 Ų | 112 | 95.1 Ų | 95.1 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.4 | -37 | 175.1 | -176.3 | 64 | 0 | 0 | 0 | 111.7 | D495 Q502 L503 | D495-L499 WeakPolarHBondContact O-CB 3.32Å; D495-L499 PolarHBondContact O-N 2.84Å; L499-Q502 PolarHBondContact O-N 2.73Å; L499-L503 WeakPolarHBondContact O-CB 3.21Å; L499-L503 PolarHBondContact O-N 3.33Å |
| 500 | N | 96.6 | Very high | 97.3 | Very high | 92 Ų | 92 | 98.7 Ų | 98.7 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 174 | -167.7 | 21 | 0 | 0 | 0 | 111.7 | M496 M497 S498 L503 L504 | M496-N500 VanDerWaalsContact O-CB 3.28Å; M496-N500 WeakPolarHBondContact O-CB 3.48Å; M496-N500 PolarHBondContact O-N 3.47Å; M497-N500 PolarHBondContact O-N 3.12Å; S498-N500 VanDerWaalsContact C-N 3.34Å; S498-N500 PolarHBondContact O-N 2.85Å; N500-L503 PolarHBondContact O-N 3.01Å; N500-L504 VanDerWaalsContact O-CG 3.31Å; N500-L504 WeakPolarHBondContact O-CG 3.44Å; N500-L504 PolarHBondContact O-N 3.36Å |
| 501 | S | 97.2 | Very high | 97.4 | Very high | 62 Ų | 62 | 100.7 Ų | 100.7 | 43% | 0.434 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.8 | -52.7 | 171 | -164.8 | 0 | 0 | 0 | 0 | 111 | M497 S498 L503 L504 D505 | M497-S501 PolarHBondContact O-N 3.37Å; S498-S501 WeakPolarHBondContact O-CB 3.29Å; S498-S501 PolarHBondContact O-N 3.09Å; S501-L503 PolarHBondContact O-N 3.46Å; S501-L504 WeakPolarHBondContact O-CB 3.19Å; S501-L504 PolarHBondContact O-N 2.96Å; S501-D505 PolarHBondContact O-N 2.92Å; S501-D505 PolarHBondContact OG-OD2 2.83Å |
| 502 | Q | 97.7 | Very high | 97.4 | Very high | 119 Ų | 119 | 99.6 Ų | 99.6 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -56.9 | -37.4 | 178.6 | -69.1 | 168.6 | 23.6 | 0 | 0 | 112.5 | S498 L499 A506 | S498-Q502 WeakPolarHBondContact O-CG 3.44Å; S498-Q502 PolarHBondContact O-N 3.15Å; L499-Q502 PolarHBondContact O-N 2.73Å; Q502-A506 VanDerWaalsContact O-CB 3.26Å; Q502-A506 WeakPolarHBondContact O-CB 3.18Å; Q502-A506 PolarHBondContact O-N 2.9Å |
| 503 | L | 97.9 | Very high | 97.4 | Very high | 99 Ų | 99 | 100.8 Ų | 100.8 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.8 | -43.7 | 174.9 | 179.2 | 60.9 | 0 | 0 | 0 | 111.9 | L499 N500 S501 A506 I507 | L499-L503 WeakPolarHBondContact O-CB 3.21Å; L499-L503 PolarHBondContact O-N 3.33Å; N500-L503 PolarHBondContact O-N 3.01Å; S501-L503 PolarHBondContact O-N 3.46Å; L503-A506 PolarHBondContact O-N 3.28Å; L503-I507 HydrophobicContact CD1-CD1 4.06Å; L503-I507 HydrophobicContact CD1-CG1 4.38Å; L503-I507 HydrophobicContact CG-CD1 3.95Å; L503-I507 WeakPolarHBondContact O-CB 3.07Å; L503-I507 WeakPolarHBondContact O-CD1 3.45Å; L503-I507 WeakPolarHBondContact O-CG1 3.11Å; L503-I507 PolarHBondContact O-N 3.24Å |
| 504 | L | 98.1 | Very high | 97.3 | Very high | 88 Ų | 88 | 95.9 Ų | 95.9 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 175.1 | -70.4 | 168.9 | 0 | 0 | 0 | 111.7 | N500 S501 I507 Q508 | N500-L504 VanDerWaalsContact O-CG 3.31Å; N500-L504 WeakPolarHBondContact O-CG 3.44Å; N500-L504 PolarHBondContact O-N 3.36Å; S501-L504 WeakPolarHBondContact O-CB 3.19Å; S501-L504 PolarHBondContact O-N 2.96Å; L504-I507 PolarHBondContact O-N 2.89Å; L504-Q508 WeakPolarHBondContact O-CG 3.49Å; L504-Q508 PolarHBondContact O-N 3.17Å |
| 505 | D | 97.9 | Very high | 97.3 | Very high | 69 Ų | 69 | 94.5 Ų | 94.5 | 37% | 0.369 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 176.6 | -62.6 | -38.6 | 0 | 0 | 0 | 111 | S501 Q508 Q509 | S501-D505 PolarHBondContact O-N 2.92Å; S501-D505 PolarHBondContact OG-OD2 2.83Å; D505-Q508 PolarHBondContact O-N 3.17Å; D505-Q509 VanDerWaalsContact O-CG 3.32Å; D505-Q509 WeakPolarHBondContact O-CG 3.42Å; D505-Q509 PolarHBondContact O-N 3.16Å |
| 506 | A | 97.9 | Very high | 97.3 | Very high | 50 Ų | 50 | 96.6 Ų | 96.6 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.1 | -36.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q502 L503 K510 | Q502-A506 VanDerWaalsContact O-CB 3.26Å; Q502-A506 WeakPolarHBondContact O-CB 3.18Å; Q502-A506 PolarHBondContact O-N 2.9Å; L503-A506 PolarHBondContact O-N 3.28Å; A506-K510 WeakPolarHBondContact O-CB 3.19Å; A506-K510 PolarHBondContact O-N 2.95Å |
| 507 | I | 96.6 | Very high | 97.3 | Very high | 92 Ų | 92 | 95.7 Ų | 95.7 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 173 | -73 | 164.9 | 0 | 0 | 0 | 110.5 | L503 L504 K510 L511 | L503-I507 HydrophobicContact CD1-CD1 4.06Å; L503-I507 HydrophobicContact CD1-CG1 4.38Å; L503-I507 HydrophobicContact CG-CD1 3.95Å; L503-I507 WeakPolarHBondContact O-CB 3.07Å; L503-I507 WeakPolarHBondContact O-CD1 3.45Å; L503-I507 WeakPolarHBondContact O-CG1 3.11Å; L503-I507 PolarHBondContact O-N 3.24Å; L504-I507 PolarHBondContact O-N 2.89Å; I507-K510 PolarHBondContact O-N 2.95Å; I507-L511 VanDerWaalsContact O-CB 3.29Å; I507-L511 WeakPolarHBondContact O-CB 3.44Å; I507-L511 PolarHBondContact O-N 3.27Å |
| 508 | Q | 96.7 | Very high | 97.3 | Very high | 109 Ų | 109 | 95.1 Ų | 95.1 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 175.4 | -73.3 | 173 | 52.4 | 0 | 0 | 111.7 | L504 D505 K510 L511 N512 | L504-Q508 WeakPolarHBondContact O-CG 3.49Å; L504-Q508 PolarHBondContact O-N 3.17Å; D505-Q508 PolarHBondContact O-N 3.17Å; Q508-K510 PolarHBondContact O-N 3.45Å; Q508-L511 PolarHBondContact O-N 3.21Å; Q508-N512 WeakPolarHBondContact O-CB 3.38Å; Q508-N512 PolarHBondContact O-N 3Å; Q508-N512 PolarHBondContact O-ND2 3.35Å; Q508-N512 PolarHBondContact O-OD1 2.88Å |
| 509 | Q | 97.6 | Very high | 97.3 | Very high | 129 Ų | 129 | 95 Ų | 95 | 60% | 0.603 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.8 | -45.7 | 175.3 | -72.5 | 173.6 | 20.1 | 0 | 0 | 111.7 | D505 L511 N512 L513 | D505-Q509 VanDerWaalsContact O-CG 3.32Å; D505-Q509 WeakPolarHBondContact O-CG 3.42Å; D505-Q509 PolarHBondContact O-N 3.16Å; Q509-L511 PolarHBondContact O-N 3.39Å; Q509-N512 PolarHBondContact O-N 2.67Å; Q509-L513 WeakPolarHBondContact O-CG 3.42Å; Q509-L513 PolarHBondContact O-N 2.83Å |
| 510 | K | 97.6 | Very high | 97.3 | Very high | 159 Ų | 159 | 97.3 Ų | 97.3 | 69% | 0.691 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.6 | -43.2 | 176 | -174.4 | -178.4 | 178 | -175.7 | 0 | 112 | A506 I507 Q508 L513 S514 | A506-K510 WeakPolarHBondContact O-CB 3.19Å; A506-K510 PolarHBondContact O-N 2.95Å; I507-K510 PolarHBondContact O-N 2.95Å; Q508-K510 PolarHBondContact O-N 3.45Å; K510-L513 PolarHBondContact O-N 3.42Å; K510-S514 PolarHBondContact O-N 2.79Å; K510-S514 PolarHBondContact O-OG 2.86Å; K510-S514 VanDerWaalsContact O-OG 3.1Å |
| 511 | L | 98 | Very high | 97.3 | Very high | 84 Ų | 84 | 97.8 Ų | 97.8 | 44% | 0.44 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 178.6 | -178.8 | 147.3 | 0 | 0 | 0 | 111.5 | I507 Q508 Q509 L513 S514 Q515 | I507-L511 VanDerWaalsContact O-CB 3.29Å; I507-L511 WeakPolarHBondContact O-CB 3.44Å; I507-L511 PolarHBondContact O-N 3.27Å; Q508-L511 PolarHBondContact O-N 3.21Å; Q509-L511 PolarHBondContact O-N 3.39Å; L511-L513 VanDerWaalsContact C-N 3.34Å; L511-L513 PolarHBondContact O-N 3.25Å; L511-S514 VanDerWaalsContact CA-OG 3.32Å; L511-S514 WeakPolarHBondContact CA-OG 3.47Å; L511-S514 PolarHBondContact O-N 3.29Å; L511-S514 PolarHBondContact O-OG 3.04Å; L511-Q515 HydrophobicContact CD2-CG 4.5Å; L511-Q515 WeakPolarHBondContact O-CG 3.23Å; L511-Q515 PolarHBondContact O-N 2.68Å |
| 512 | N | 97.3 | Very high | 97.3 | Very high | 78 Ų | 78 | 98.7 Ų | 98.7 | 42% | 0.417 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 175.5 | -65.9 | -18.3 | 0 | 0 | 0 | 111.5 | Q508 Q509 Q515 Q516 | Q508-N512 WeakPolarHBondContact O-CB 3.38Å; Q508-N512 PolarHBondContact O-N 3Å; Q508-N512 PolarHBondContact O-ND2 3.35Å; Q508-N512 PolarHBondContact O-OD1 2.88Å; Q509-N512 PolarHBondContact O-N 2.67Å; N512-Q515 PolarHBondContact O-N 3.49Å; N512-Q516 WeakPolarHBondContact O-CG 3.44Å; N512-Q516 PolarHBondContact O-N 3.39Å |
| 513 | L | 97.6 | Very high | 97.2 | Very high | 100 Ų | 100 | 96.9 Ų | 96.9 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.9 | -39.2 | 175.8 | -71 | 170.7 | 0 | 0 | 0 | 112.4 | Q509 K510 L511 Q516 L517 | Q509-L513 WeakPolarHBondContact O-CG 3.42Å; Q509-L513 PolarHBondContact O-N 2.83Å; K510-L513 PolarHBondContact O-N 3.42Å; L511-L513 VanDerWaalsContact C-N 3.34Å; L511-L513 PolarHBondContact O-N 3.25Å; L513-Q516 PolarHBondContact O-N 2.89Å; L513-L517 WeakPolarHBondContact O-CG 3.3Å; L513-L517 PolarHBondContact O-N 3.3Å |
| 514 | S | 96.1 | Very high | 97.1 | Very high | 47 Ų | 47 | 95.7 Ų | 95.7 | 33% | 0.329 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 172.4 | 38.5 | 0 | 0 | 0 | 0 | 112.3 | K510 L511 Q516 L517 E518 | K510-S514 PolarHBondContact O-N 2.79Å; K510-S514 PolarHBondContact O-OG 2.86Å; K510-S514 VanDerWaalsContact O-OG 3.1Å; L511-S514 VanDerWaalsContact CA-OG 3.32Å; L511-S514 WeakPolarHBondContact CA-OG 3.47Å; L511-S514 PolarHBondContact O-N 3.29Å; L511-S514 PolarHBondContact O-OG 3.04Å; S514-Q516 VanDerWaalsContact C-N 3.33Å; S514-Q516 PolarHBondContact O-N 2.86Å; S514-L517 PolarHBondContact O-N 3.25Å; S514-E518 WeakPolarHBondContact O-CB 3.27Å; S514-E518 WeakPolarHBondContact O-CG 3.46Å; S514-E518 PolarHBondContact O-N 2.84Å |
| 515 | Q | 97 | Very high | 96.9 | Very high | 106 Ų | 106 | 96.7 Ų | 96.7 | 50% | 0.495 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.4 | -36 | 175.9 | -72.6 | 177.6 | -12.7 | 0 | 0 | 112.6 | L511 N512 A519 | L511-Q515 HydrophobicContact CD2-CG 4.5Å; L511-Q515 WeakPolarHBondContact O-CG 3.23Å; L511-Q515 PolarHBondContact O-N 2.68Å; N512-Q515 PolarHBondContact O-N 3.49Å; Q515-A519 WeakPolarHBondContact O-CB 3.21Å; Q515-A519 PolarHBondContact O-N 3.18Å |
| 516 | Q | 97.6 | Very high | 96.9 | Very high | 127 Ų | 127 | 98.6 Ų | 98.6 | 59% | 0.593 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.1 | -38.2 | 173.1 | -72.6 | 173.1 | 8.7 | 0 | 0 | 112.1 | N512 L513 S514 W520 | N512-Q516 WeakPolarHBondContact O-CG 3.44Å; N512-Q516 PolarHBondContact O-N 3.39Å; L513-Q516 PolarHBondContact O-N 2.89Å; S514-Q516 VanDerWaalsContact C-N 3.33Å; S514-Q516 PolarHBondContact O-N 2.86Å; Q516-W520 WeakPolarHBondContact O-CB 3.05Å; Q516-W520 PolarHBondContact O-N 2.84Å |
| 517 | L | 96.9 | Very high | 96.8 | Very high | 104 Ų | 104 | 98.9 Ų | 98.9 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69 | -40.5 | 175.2 | -71.1 | 169.5 | 0 | 0 | 0 | 112.1 | L513 S514 W520 Q521 | L513-L517 WeakPolarHBondContact O-CG 3.3Å; L513-L517 PolarHBondContact O-N 3.3Å; S514-L517 PolarHBondContact O-N 3.25Å; L517-W520 PolarHBondContact O-N 3.27Å; L517-Q521 WeakPolarHBondContact O-CB 3.49Å; L517-Q521 VanDerWaalsContact O-CG 3.24Å; L517-Q521 WeakPolarHBondContact O-CG 3.27Å; L517-Q521 PolarHBondContact O-N 2.96Å |
| 518 | E | 97 | Very high | 96.7 | Very high | 115 Ų | 115 | 98.2 Ų | 98.2 | 54% | 0.537 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 173.4 | -74.1 | 166.5 | -173.9 | 0 | 0 | 110.9 | S514 W520 Q521 D522 | S514-E518 WeakPolarHBondContact O-CB 3.27Å; S514-E518 WeakPolarHBondContact O-CG 3.46Å; S514-E518 PolarHBondContact O-N 2.84Å; E518-W520 VanDerWaalsContact C-N 3.35Å; E518-W520 PolarHBondContact O-N 3.2Å; E518-Q521 WeakPolarHBondContact O-CB 3.35Å; E518-Q521 PolarHBondContact O-N 3.49Å; E518-D522 WeakPolarHBondContact O-CB 3.41Å; E518-D522 PolarHBondContact O-N 2.83Å |
| 519 | A | 96 | Very high | 96.5 | Very high | 54 Ų | 54 | 97.3 Ų | 97.3 | 45% | 0.446 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q515 D522 D523 | Q515-A519 WeakPolarHBondContact O-CB 3.21Å; Q515-A519 PolarHBondContact O-N 3.18Å; A519-D522 WeakPolarHBondContact O-CB 3.39Å; A519-D522 PolarHBondContact O-N 2.92Å; A519-D523 PolarHBondContact O-N 2.58Å |
| 520 | W | 97.3 | Very high | 96.3 | Very high | 160 Ų | 160 | 98.8 Ų | 98.8 | 61% | 0.606 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -68.5 | -38 | 175.8 | -174.9 | 84.4 | 0 | 0 | 0 | 112.4 | Q516 L517 E518 D523 M524 | Q516-W520 WeakPolarHBondContact O-CB 3.05Å; Q516-W520 PolarHBondContact O-N 2.84Å; L517-W520 PolarHBondContact O-N 3.27Å; E518-W520 VanDerWaalsContact C-N 3.35Å; E518-W520 PolarHBondContact O-N 3.2Å; W520-D523 PolarHBondContact O-N 2.8Å; W520-M524 HydrophobicContact CD2-CG 3.89Å; W520-M524 HydrophobicContact CE3-CG 3.98Å; W520-M524 HydrophobicContact CH2-CG 3.72Å; W520-M524 HydrophobicContact CH2-SD 4.31Å; W520-M524 HydrophobicContact CZ2-CG 3.59Å; W520-M524 HydrophobicContact CZ2-SD 3.87Å; W520-M524 HydrophobicContact CZ3-CG 3.9Å; W520-M524 WeakPolarHBondContact O-CB 3.27Å; W520-M524 VanDerWaalsContact O-CG 3.31Å; W520-M524 WeakPolarHBondContact O-CG 3.21Å; W520-M524 PolarHBondContact O-N 3.46Å |
| 521 | Q | 96.8 | Very high | 96 | Very high | 102 Ų | 102 | 97 Ų | 97 | 48% | 0.477 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 171.4 | -75.2 | 170.5 | 18.4 | 0 | 0 | 110.7 | L517 E518 D523 M524 H525 | L517-Q521 WeakPolarHBondContact O-CB 3.49Å; L517-Q521 VanDerWaalsContact O-CG 3.24Å; L517-Q521 WeakPolarHBondContact O-CG 3.27Å; L517-Q521 PolarHBondContact O-N 2.96Å; E518-Q521 WeakPolarHBondContact O-CB 3.35Å; E518-Q521 PolarHBondContact O-N 3.49Å; Q521-D523 PolarHBondContact O-N 3.3Å; Q521-M524 PolarHBondContact O-N 3.39Å; Q521-H525 PolarHBondContact O-N 3.26Å; Q521-H525 PolarHBondContact O-ND1 2.84Å |
| 522 | D | 97.1 | Very high | 95.6 | Very high | 82 Ų | 82 | 96.9 Ų | 96.9 | 44% | 0.439 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -56.7 | -47.2 | 176.3 | -112.7 | 34.9 | 0 | 0 | 0 | 112.1 | E518 A519 H525 R526 | E518-D522 WeakPolarHBondContact O-CB 3.41Å; E518-D522 PolarHBondContact O-N 2.83Å; A519-D522 WeakPolarHBondContact O-CB 3.39Å; A519-D522 PolarHBondContact O-N 2.92Å; D522-H525 PolarHBondContact O-N 3.38Å; D522-R526 WeakPolarHBondContact O-CD 3.29Å; D522-R526 WeakPolarHBondContact O-CG 3.35Å; D522-R526 PolarHBondContact O-N 3.38Å; D522-R526 IonicContact OD2-CZ 3.66Å; D522-R526 IonicContact OD2-NH2 3.08Å; D522-R526 PolarHBondContact OD2-NH2 2.9Å |
| 523 | D | 97.4 | Very high | 95.2 | Very high | 81 Ų | 81 | 99 Ų | 99 | 43% | 0.433 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.5 | -33.8 | 177.6 | -82.5 | -29.2 | 0 | 0 | 0 | 113.2 | A519 W520 Q521 R526 V527 | A519-D523 PolarHBondContact O-N 2.58Å; W520-D523 PolarHBondContact O-N 2.8Å; Q521-D523 PolarHBondContact O-N 3.3Å; D523-R526 PolarHBondContact O-N 2.87Å; D523-R526 WeakPolarHBondContact OD1-CD 3.31Å; D523-R526 IonicContact OD1-CZ 3.27Å; D523-R526 IonicContact OD1-NE 3.6Å; D523-R526 IonicContact OD1-NH1 3.26Å; D523-R526 PolarHBondContact OD1-NH1 3.43Å; D523-V527 WeakPolarHBondContact O-CG2 3.43Å; D523-V527 PolarHBondContact O-N 3.25Å |
| 524 | M | 94.8 | Very high | 94.8 | Very high | 73 Ų | 73 | 98.1 Ų | 98.1 | 36% | 0.36 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.7 | -42.6 | 171.4 | -76.6 | -61.1 | -59.8 | 0 | 0 | 112.2 | W520 Q521 V527 I528 | W520-M524 HydrophobicContact CD2-CG 3.89Å; W520-M524 HydrophobicContact CE3-CG 3.98Å; W520-M524 HydrophobicContact CH2-CG 3.72Å; W520-M524 HydrophobicContact CH2-SD 4.31Å; W520-M524 HydrophobicContact CZ2-CG 3.59Å; W520-M524 HydrophobicContact CZ2-SD 3.87Å; W520-M524 HydrophobicContact CZ3-CG 3.9Å; W520-M524 WeakPolarHBondContact O-CB 3.27Å; W520-M524 VanDerWaalsContact O-CG 3.31Å; W520-M524 WeakPolarHBondContact O-CG 3.21Å; W520-M524 PolarHBondContact O-N 3.46Å; Q521-M524 PolarHBondContact O-N 3.39Å; M524-V527 PolarHBondContact O-N 2.96Å; M524-I528 VanDerWaalsContact O-CG1 3.31Å; M524-I528 WeakPolarHBondContact O-CG1 3.29Å; M524-I528 PolarHBondContact O-N 2.82Å |
| 525 | H | 95.1 | Very high | 94.2 | Very high | 109 Ų | 109 | 98.8 Ų | 98.8 | 51% | 0.505 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 172.6 | -70 | 110.7 | 0 | 0 | 0 | 111 | Q521 D522 V527 I528 D529 | Q521-H525 PolarHBondContact O-N 3.26Å; Q521-H525 PolarHBondContact O-ND1 2.84Å; D522-H525 PolarHBondContact O-N 3.38Å; H525-V527 VanDerWaalsContact C-N 3.27Å; H525-V527 PolarHBondContact O-N 2.82Å; H525-I528 PolarHBondContact O-N 2.93Å; H525-I528 VanDerWaalsContact O-N 3.12Å; H525-D529 WeakPolarHBondContact O-CB 3.48Å; H525-D529 PolarHBondContact O-N 2.83Å |
| 526 | R | 96.1 | Very high | 93.5 | Very high | 110 Ų | 110 | 98 Ų | 98 | 42% | 0.415 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.8 | -32.8 | 175.4 | -66.9 | 162.7 | -162.1 | 166.9 | 2 | 113 | D522 D523 R530 | D522-R526 WeakPolarHBondContact O-CD 3.29Å; D522-R526 WeakPolarHBondContact O-CG 3.35Å; D522-R526 PolarHBondContact O-N 3.38Å; D522-R526 IonicContact OD2-CZ 3.66Å; D522-R526 IonicContact OD2-NH2 3.08Å; D522-R526 PolarHBondContact OD2-NH2 2.9Å; D523-R526 PolarHBondContact O-N 2.87Å; D523-R526 WeakPolarHBondContact OD1-CD 3.31Å; D523-R526 IonicContact OD1-CZ 3.27Å; D523-R526 IonicContact OD1-NE 3.6Å; D523-R526 IonicContact OD1-NH1 3.26Å; D523-R526 PolarHBondContact OD1-NH1 3.43Å; R526-R530 WeakPolarHBondContact O-CB 3.31Å; R526-R530 WeakPolarHBondContact O-CD 3.3Å; R526-R530 WeakPolarHBondContact O-CG 3.44Å; R526-R530 PolarHBondContact O-N 2.8Å; R526-R530 VanDerWaalsContact O-N 3.13Å |
| 527 | V | 96.4 | Very high | 92.6 | Very high | 56 Ų | 56 | 97.2 Ų | 97.2 | 34% | 0.339 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.4 | -43.1 | 173.9 | 167.5 | 0 | 0 | 0 | 0 | 111.1 | D523 M524 H525 R530 Q531 | D523-V527 WeakPolarHBondContact O-CG2 3.43Å; D523-V527 PolarHBondContact O-N 3.25Å; M524-V527 PolarHBondContact O-N 2.96Å; H525-V527 VanDerWaalsContact C-N 3.27Å; H525-V527 PolarHBondContact O-N 2.82Å; V527-R530 PolarHBondContact O-N 3.36Å; V527-Q531 WeakPolarHBondContact O-CG 3.19Å; V527-Q531 PolarHBondContact O-N 2.82Å |
| 528 | I | 93.9 | Very high | 91.5 | Very high | 77 Ų | 77 | 97.6 Ų | 97.6 | 40% | 0.395 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 175.8 | -67.9 | 162.6 | 0 | 0 | 0 | 110.5 | M524 H525 R530 Q531 L532 | M524-I528 VanDerWaalsContact O-CG1 3.31Å; M524-I528 WeakPolarHBondContact O-CG1 3.29Å; M524-I528 PolarHBondContact O-N 2.82Å; H525-I528 PolarHBondContact O-N 2.93Å; H525-I528 VanDerWaalsContact O-N 3.12Å; I528-R530 VanDerWaalsContact C-N 3.34Å; I528-R530 PolarHBondContact O-N 3.36Å; I528-Q531 PolarHBondContact O-N 3.2Å; I528-Q531 VanDerWaalsContact O-N 3.13Å; I528-L532 HydrophobicContact CG2-CD1 3.9Å; I528-L532 HydrophobicContact CG2-CG 4.38Å; I528-L532 WeakPolarHBondContact O-CG 3.44Å; I528-L532 PolarHBondContact O-N 2.96Å |
| 529 | D | 93.9 | Very high | 90.3 | Very high | 91 Ų | 91 | 97.7 Ų | 97.7 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.4 | -44.4 | 176.6 | -73.6 | -26.7 | 0 | 0 | 0 | 111.7 | H525 L532 M533 | H525-D529 WeakPolarHBondContact O-CB 3.48Å; H525-D529 PolarHBondContact O-N 2.83Å; D529-L532 PolarHBondContact O-N 3.35Å; D529-M533 VanDerWaalsContact O-CG 3.23Å; D529-M533 WeakPolarHBondContact O-CG 3.35Å; D529-M533 PolarHBondContact O-N 3.35Å |
| 530 | R | 92.8 | Very high | 88.8 | Confident | 160 Ų | 160 | 105.4 Ų | 105.4 | 60% | 0.604 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.6 | -44.3 | 174.7 | -75 | 167 | -172.3 | 153.1 | 3.4 | 111.6 | R526 V527 I528 M533 D534 | R526-R530 WeakPolarHBondContact O-CB 3.31Å; R526-R530 WeakPolarHBondContact O-CD 3.3Å; R526-R530 WeakPolarHBondContact O-CG 3.44Å; R526-R530 PolarHBondContact O-N 2.8Å; R526-R530 VanDerWaalsContact O-N 3.13Å; V527-R530 PolarHBondContact O-N 3.36Å; I528-R530 VanDerWaalsContact C-N 3.34Å; I528-R530 PolarHBondContact O-N 3.36Å; R530-M533 PolarHBondContact O-N 2.79Å; R530-D534 VanDerWaalsContact O-CB 3.31Å; R530-D534 WeakPolarHBondContact O-CB 3.3Å; R530-D534 PolarHBondContact O-N 3.21Å |
| 531 | Q | 90.6 | Very high | 86.9 | Confident | 120 Ų | 120 | 102 Ų | 102 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.4 | -41.6 | 177.3 | -74 | 176.4 | 7.1 | 0 | 0 | 111.8 | V527 I528 D534 T535 | V527-Q531 WeakPolarHBondContact O-CG 3.19Å; V527-Q531 PolarHBondContact O-N 2.82Å; I528-Q531 PolarHBondContact O-N 3.2Å; I528-Q531 VanDerWaalsContact O-N 3.13Å; Q531-D534 WeakPolarHBondContact O-CB 3.34Å; Q531-D534 PolarHBondContact O-N 3.38Å; Q531-T535 WeakPolarHBondContact O-CG2 3.29Å; Q531-T535 PolarHBondContact O-N 2.84Å; Q531-T535 PolarHBondContact O-OG1 3.41Å; Q531-T535 VanDerWaalsContact O-OG1 3.12Å |
| 532 | L | 90.4 | Very high | 84.5 | Confident | 82 Ų | 82 | 104 Ų | 104 | 43% | 0.429 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 176.1 | -71.5 | 170.1 | 0 | 0 | 0 | 112.4 | I528 D529 T535 H536 | I528-L532 HydrophobicContact CG2-CD1 3.9Å; I528-L532 HydrophobicContact CG2-CG 4.38Å; I528-L532 WeakPolarHBondContact O-CG 3.44Å; I528-L532 PolarHBondContact O-N 2.96Å; D529-L532 PolarHBondContact O-N 3.35Å; L532-T535 WeakPolarHBondContact CA-OG1 3.41Å; L532-T535 PolarHBondContact O-N 2.81Å; L532-T535 PolarHBondContact O-OG1 3.49Å; L532-H536 WeakPolarHBondContact O-CB 3.44Å; L532-H536 PolarHBondContact O-CD2 3.2Å; L532-H536 VanDerWaalsContact O-CG 3.3Å; L532-H536 PolarHBondContact O-N 3.49Å |
| 533 | M | 88.5 | Confident | 82 | Confident | 123 Ų | 123 | 105.9 Ų | 105.9 | 61% | 0.606 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.9 | -42.2 | 174.7 | -66.6 | -66 | 165.5 | 0 | 0 | 111.2 | D529 R530 H536 L537 | D529-M533 VanDerWaalsContact O-CG 3.23Å; D529-M533 WeakPolarHBondContact O-CG 3.35Å; D529-M533 PolarHBondContact O-N 3.35Å; R530-M533 PolarHBondContact O-N 2.79Å; M533-H536 PolarHBondContact O-N 3.08Å; M533-L537 WeakPolarHBondContact O-CB 3.22Å; M533-L537 VanDerWaalsContact O-CG 3.23Å; M533-L537 WeakPolarHBondContact O-CG 3.49Å; M533-L537 PolarHBondContact O-N 3.09Å |
| 534 | D | 89.5 | Confident | 79.7 | Confident | 82 Ų | 82 | 107.3 Ų | 107.3 | 44% | 0.439 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 174.9 | -100.5 | 23.3 | 0 | 0 | 0 | 112.6 | R530 Q531 L537 K538 | R530-D534 VanDerWaalsContact O-CB 3.31Å; R530-D534 WeakPolarHBondContact O-CB 3.3Å; R530-D534 PolarHBondContact O-N 3.21Å; Q531-D534 WeakPolarHBondContact O-CB 3.34Å; Q531-D534 PolarHBondContact O-N 3.38Å; D534-L537 PolarHBondContact O-N 3.47Å; D534-K538 WeakPolarHBondContact O-CB 3.33Å; D534-K538 VanDerWaalsContact O-CD 3.26Å; D534-K538 WeakPolarHBondContact O-CD 3.42Å; D534-K538 WeakPolarHBondContact O-CG 3.46Å; D534-K538 PolarHBondContact O-N 2.88Å; D534-K538 IonicContact OD2-NZ 2.78Å; D534-K538 PolarHBondContact OD2-NZ 3.46Å |
| 535 | T | 83.3 | Confident | 77 | Confident | 61 Ų | 61 | 108.4 Ų | 108.4 | 37% | 0.374 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.6 | -45.2 | 175.6 | 48.2 | 0 | 0 | 0 | 0 | 110.8 | Q531 L532 L537 K538 E539 | Q531-T535 WeakPolarHBondContact O-CG2 3.29Å; Q531-T535 PolarHBondContact O-N 2.84Å; Q531-T535 PolarHBondContact O-OG1 3.41Å; Q531-T535 VanDerWaalsContact O-OG1 3.12Å; L532-T535 WeakPolarHBondContact CA-OG1 3.41Å; L532-T535 PolarHBondContact O-N 2.81Å; L532-T535 PolarHBondContact O-OG1 3.49Å; T535-L537 VanDerWaalsContact C-N 3.29Å; T535-L537 PolarHBondContact O-N 2.81Å; T535-K538 CarbonylContact O-C 3.6Å; T535-K538 PolarHBondContact O-N 3.24Å; T535-K538 VanDerWaalsContact O-N 3.1Å; T535-E539 WeakPolarHBondContact O-CB 3.47Å; T535-E539 VanDerWaalsContact O-CG 3.3Å; T535-E539 WeakPolarHBondContact O-CG 3.25Å; T535-E539 PolarHBondContact O-N 3.05Å |
| 536 | H | 82.1 | Confident | 74.4 | Confident | 90 Ų | 90 | 107.8 Ų | 107.8 | 42% | 0.417 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.4 | -29.4 | 176.9 | -69 | -34.4 | 0 | 0 | 0 | 113.4 | L532 M533 E539 R540 | L532-H536 WeakPolarHBondContact O-CB 3.44Å; L532-H536 PolarHBondContact O-CD2 3.2Å; L532-H536 VanDerWaalsContact O-CG 3.3Å; L532-H536 PolarHBondContact O-N 3.49Å; M533-H536 PolarHBondContact O-N 3.08Å; H536-E539 WeakPolarHBondContact CA-OE2 3.49Å; H536-E539 IonicContact CE1-OE2 3.19Å; H536-E539 IonicContact CG-OE2 3.11Å; H536-E539 IonicContact ND1-OE2 3.73Å; H536-E539 PolarHBondContact ND1-OE2 3.34Å; H536-R540 VanDerWaalsContact O-CB 3.25Å; H536-R540 WeakPolarHBondContact O-CB 3.44Å; H536-R540 WeakPolarHBondContact O-CD 3.5Å; H536-R540 WeakPolarHBondContact O-CG 3.29Å; H536-R540 PolarHBondContact O-N 2.89Å |
| 537 | L | 79.7 | Confident | 72 | Confident | 109 Ų | 109 | 110.3 Ų | 110.3 | 57% | 0.571 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.5 | -38.1 | 171.1 | -74.9 | 167.5 | 0 | 0 | 0 | 112 | M533 D534 T535 S541 | M533-L537 WeakPolarHBondContact O-CB 3.22Å; M533-L537 VanDerWaalsContact O-CG 3.23Å; M533-L537 WeakPolarHBondContact O-CG 3.49Å; M533-L537 PolarHBondContact O-N 3.09Å; D534-L537 PolarHBondContact O-N 3.47Å; T535-L537 VanDerWaalsContact C-N 3.29Å; T535-L537 PolarHBondContact O-N 2.81Å; L537-S541 WeakPolarHBondContact O-CB 3.47Å; L537-S541 PolarHBondContact O-N 3.28Å; L537-S541 VanDerWaalsContact O-N 3.12Å; L537-S541 PolarHBondContact O-OG 3.43Å |
| 538 | K | 73.5 | Confident | 69.2 | Low | 112 Ų | 112 | 113.1 Ų | 113.1 | 49% | 0.487 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.8 | -44.6 | 173.8 | -71 | 157.9 | -167.2 | 157.8 | 0 | 111.3 | D534 T535 R540 S541 Q542 | D534-K538 WeakPolarHBondContact O-CB 3.33Å; D534-K538 VanDerWaalsContact O-CD 3.26Å; D534-K538 WeakPolarHBondContact O-CD 3.42Å; D534-K538 WeakPolarHBondContact O-CG 3.46Å; D534-K538 PolarHBondContact O-N 2.88Å; D534-K538 IonicContact OD2-NZ 2.78Å; D534-K538 PolarHBondContact OD2-NZ 3.46Å; T535-K538 CarbonylContact O-C 3.6Å; T535-K538 PolarHBondContact O-N 3.24Å; T535-K538 VanDerWaalsContact O-N 3.1Å; K538-R540 PolarHBondContact O-N 2.89Å; K538-S541 WeakPolarHBondContact CA-OG 3.41Å; K538-S541 PolarHBondContact O-N 3.37Å; K538-S541 PolarHBondContact O-OG 3.16Å; K538-S541 VanDerWaalsContact O-OG 3.13Å; K538-Q542 WeakPolarHBondContact O-CG 3.43Å; K538-Q542 PolarHBondContact O-N 3.23Å |
| 539 | E | 71.7 | Confident | 66.3 | Low | 117 Ų | 117 | 121.7 Ų | 121.7 | 55% | 0.547 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -60.1 | -44.6 | 173.9 | -71.1 | 170.3 | 157.5 | 0 | 0 | 111.8 | T535 H536 S541 Q542 | T535-E539 WeakPolarHBondContact O-CB 3.47Å; T535-E539 VanDerWaalsContact O-CG 3.3Å; T535-E539 WeakPolarHBondContact O-CG 3.25Å; T535-E539 PolarHBondContact O-N 3.05Å; H536-E539 WeakPolarHBondContact CA-OE2 3.49Å; H536-E539 IonicContact CE1-OE2 3.19Å; H536-E539 IonicContact CG-OE2 3.11Å; H536-E539 IonicContact ND1-OE2 3.73Å; H536-E539 PolarHBondContact ND1-OE2 3.34Å; E539-S541 VanDerWaalsContact C-N 3.26Å; E539-S541 PolarHBondContact O-N 3.12Å; E539-Q542 PolarHBondContact O-N 2.79Å |
| 540 | R | 64.5 | Low | 63.5 | Low | 216 Ų | 216 | 120.2 Ų | 120.2 | 82% | 0.815 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -72.3 | -13.2 | 178.3 | -74.5 | 173.9 | 177.9 | -173.2 | 1.2 | 114.7 | H536 K538 | H536-R540 VanDerWaalsContact O-CB 3.25Å; H536-R540 WeakPolarHBondContact O-CB 3.44Å; H536-R540 WeakPolarHBondContact O-CD 3.5Å; H536-R540 WeakPolarHBondContact O-CG 3.29Å; H536-R540 PolarHBondContact O-N 2.89Å; K538-R540 PolarHBondContact O-N 2.89Å |
| 541 | S | 56.7 | Low | 61 | Low | 90 Ų | 90 | 121.8 Ų | 121.8 | 63% | 0.629 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -102.2 | -2.4 | 177.2 | 49.5 | 0 | 0 | 0 | 0 | 113.8 | L537 K538 E539 | L537-S541 WeakPolarHBondContact O-CB 3.47Å; L537-S541 PolarHBondContact O-N 3.28Å; L537-S541 VanDerWaalsContact O-N 3.12Å; L537-S541 PolarHBondContact O-OG 3.43Å; K538-S541 WeakPolarHBondContact CA-OG 3.41Å; K538-S541 PolarHBondContact O-N 3.37Å; K538-S541 PolarHBondContact O-OG 3.16Å; K538-S541 VanDerWaalsContact O-OG 3.13Å; E539-S541 VanDerWaalsContact C-N 3.26Å; E539-S541 PolarHBondContact O-N 3.12Å |
| 542 | Q | 46.3 | Very low | 58.4 | Low | 144 Ų | 144 | 121.1 Ų | 121.1 | 67% | 0.673 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -92.5 | 126.1 | 172.2 | -72.4 | 176.4 | 13.7 | 0 | 0 | 111.4 | K538 E539 | K538-Q542 WeakPolarHBondContact O-CG 3.43Å; K538-Q542 PolarHBondContact O-N 3.23Å; E539-Q542 PolarHBondContact O-N 2.79Å |
| 543 | P | 45.8 | Very low | 55.9 | Low | 121 Ų | 121 | 122.1 Ų | 122.1 | 79% | 0.786 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 137.3 | 172.4 | 30.7 | -33.3 | 0 | 0 | 0 | 111 | A545 | P543-A545 PolarHBondContact O-N 3.37Š|
| 544 | A | 47.5 | Very low | 53.2 | Low | 111 Ų | 111 | 120 Ų | 120 | 92% | 0.917 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -70 | 123.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 545 | A | 38.8 | Very low | 50.8 | Low | 95 Ų | 95 | 128.1 Ų | 128.1 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -149.4 | 129.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P543 | P543-A545 PolarHBondContact O-N 3.37Š| ||
| 546 | A | 39.8 | Very low | 48.7 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | trans | 58.3 | 75.2 | 147.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 547 | L | 45.7 | Very low | 46.4 | Very low | 163 Ų | 163 | 132 Ų | 132 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | 8.3 | 145 | 120.2 | -76 | 161.2 | 0 | 0 | 0 | 122.2 | |||||
| 548 | C | 37.6 | Very low | 44.5 | Very low | 115 Ų | 115 | 135 Ų | 135 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | trans | 84 | 107.1 | 137.2 | -75.5 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 549 | R | 33.5 | Very low | 43.5 | Very low | 257 Ų | 257 | 134.8 Ų | 134.8 | 97% | 0.97 | 79% | 0.785 | S | S | * | * | -171.1 | 139.7 | 125.7 | -101.3 | 178.6 | -172.7 | -158 | 2.6 | 109.3 | |||||
| 550 | G | 35.6 | Very low | 41.6 | Very low | 60 Ų | 60 | 133.6 Ų | 133.6 | 62% | 0.619 | 79% | 0.79 | S | S | * | * | cis | 153.4 | 119 | -18.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 551 | H | 40.7 | Very low | 40.3 | Very low | 193 Ų | 193 | 129.5 Ų | 129.5 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | trans | 67.7 | 160.5 | 165.9 | -58.4 | 100.2 | 0 | 0 | 0 | 116.9 | ||||
| 552 | S | 35.8 | Very low | 39.6 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | cis | -177.7 | 158.8 | -21.6 | 52.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 553 | A | 37.7 | Very low | 39.2 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | cis | -173.7 | 157.1 | -23.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 554 | G | 32.4 | Very low | 39.4 | Very low | 79 Ų | 79 | 128.2 Ų | 128.2 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | trans | 124.8 | 156.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 555 | R | 37.2 | Very low | 39.4 | Very low | 252 Ų | 252 | 129.6 Ų | 129.6 | 95% | 0.951 | 79% | 0.788 | S | S | * | * | cis | -149.5 | 142.9 | 2 | -162.5 | -179.3 | -161.5 | -126.2 | 10 | 106.7 | ||||
| 556 | G | 40.3 | Very low | 40 | Very low | 66 Ų | 66 | 136.7 Ų | 136.7 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | -88.1 | 149.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 557 | D | 33.4 | Very low | 40.4 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -163.5 | 143.9 | 140.2 | -94.5 | -31.2 | 0 | 0 | 0 | 110.2 | ||||
| 558 | E | 40 | Very low | 40 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -146.4 | 148 | 170.2 | -105.4 | -96.3 | 167.8 | 0 | 0 | 104.2 | ||||
| 559 | P | 51.8 | Low | 40.3 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | cis | -143.9 | -164.9 | 30.5 | 40.5 | -19.7 | 0 | 0 | 0 | 115.8 | ||||
| 560 | S | 31.5 | Very low | 41 | Very low | 93 Ų | 93 | 138 Ų | 138 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | trans | 96.5 | 106.5 | 144.5 | -145.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 561 | T | 38.4 | Very low | 41.2 | Very low | 129 Ų | 129 | 145.6 Ų | 145.6 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | 49.7 | 106.7 | 132.1 | 61.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 562 | A | 40.9 | Very low | 41 | Very low | 96 Ų | 96 | 147.2 Ų | 147.2 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | -164.1 | 161.7 | 126 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 563 | E | 39 | Very low | 41.2 | Very low | 144 Ų | 144 | 152 Ų | 152 | 67% | 0.673 | 81% | 0.813 | S | S | * | * | trans | 58.1 | 61.2 | 152.8 | -62.2 | -109.4 | 129.5 | 0 | 0 | 118.6 | K565 | E563-K565 PolarHBondContact O-N 3.34Å; E563-K565 IonicContact OE1-NZ 2.68Å; E563-K565 PolarHBondContact OE1-NZ 2.69Å; E563-K565 WeakPolarHBondContact OE2-CE 3.44Å; E563-K565 IonicContact OE2-NZ 2.65Å; E563-K565 PolarHBondContact OE2-NZ 3.02Å | ||
| 564 | G | 48.8 | Very low | 41.3 | Very low | 88 Ų | 88 | 158.6 Ų | 158.6 | 91% | 0.907 | 83% | 0.832 | S | S | * | * | trans | -65.9 | 102.4 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 565 | K | 49.3 | Very low | 41.8 | Very low | 140 Ų | 140 | 162.6 Ų | 162.6 | 61% | 0.609 | 83% | 0.833 | S | S | * | * | trans | -134.1 | 123 | 175.1 | -77.8 | 173.3 | -173.2 | 156.6 | 0 | 111.8 | E563 | E563-K565 PolarHBondContact O-N 3.34Å; E563-K565 IonicContact OE1-NZ 2.68Å; E563-K565 PolarHBondContact OE1-NZ 2.69Å; E563-K565 WeakPolarHBondContact OE2-CE 3.44Å; E563-K565 IonicContact OE2-NZ 2.65Å; E563-K565 PolarHBondContact OE2-NZ 3.02Å | ||
| 566 | R | 49.9 | Very low | 42 | Very low | 245 Ų | 245 | 157.9 Ų | 157.9 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | trans | 62.5 | 112.6 | 165.5 | -56.5 | 175.4 | -179.9 | 173.8 | -0.9 | 116.8 | ||||
| 567 | L | 47.8 | Very low | 42.1 | Very low | 159 Ų | 159 | 163 Ų | 163 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | -162.9 | 168.8 | 122.5 | -99.7 | 164.5 | 0 | 0 | 0 | 107.7 | |||||
| 568 | F | 39 | Very low | 42.6 | Very low | 198 Ų | 198 | 162.8 Ų | 162.8 | 87% | 0.868 | 83% | 0.831 | S | S | * | * | trans | 77.7 | 60.7 | -170.3 | -50.9 | -62.4 | 0 | 0 | 0 | 117.2 | ||||
| 569 | S | 43.8 | Very low | 42.8 | Very low | 116 Ų | 116 | 162.2 Ų | 162.2 | 81% | 0.811 | 83% | 0.833 | S | S | * | * | trans | -107.5 | 64.5 | 160.6 | 59.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 570 | F | 46.8 | Very low | 42.2 | Very low | 185 Ų | 185 | 165.9 Ų | 165.9 | 81% | 0.811 | 84% | 0.842 | S | S | * | * | trans | -129 | 73.4 | -178.7 | -88.7 | -73.1 | 0 | 0 | 0 | 112.4 | ||||
| 571 | F | 40.6 | Very low | 42.9 | Very low | 220 Ų | 220 | 171.1 Ų | 171.1 | 97% | 0.965 | 86% | 0.856 | S | S | * | * | trans | -162.1 | 88.3 | 153.3 | -95.2 | -62.3 | 0 | 0 | 0 | 110.1 | ||||
| 572 | R | 36.3 | Very low | 43.3 | Very low | 227 Ų | 227 | 174.4 Ų | 174.4 | 86% | 0.857 | 86% | 0.861 | S | S | * | * | trans | -152.3 | 83.8 | 165.3 | -164.5 | -178.7 | -170 | -166.8 | 3.4 | 112 | ||||
| 573 | K | 41 | Very low | 43.5 | Very low | 206 Ų | 206 | 180.9 Ų | 180.9 | 90% | 0.896 | 87% | 0.867 | S | S | * | * | trans | -162.7 | 85.7 | 152.2 | -113.2 | 170.9 | -176.3 | 176.4 | 0 | 110.4 | ||||
| 574 | I | 39.3 | Very low | 43.9 | Very low | 243 Ų | 243 | 184.3 Ų | 184.3 | 100% | 1.246 | 88% | 0.884 | S | S | * | * | -109.2 | 0 | 123.9 | -59.2 | 178.3 | 0 | 0 | 0 | 103.8 |
Retrieved 574 of 574 residues in 85.6 ms
(Link to these results)