| 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 | 43.1 | Very low | 36.4 | Very low | 249 Ų | 249 | 147.1 Ų | 147.1 | 100% | 1.227 | 89% | 0.894 | S | S | * | * | 0 | 97.4 | 0 | -75.4 | 175.7 | -98.7 | 0 | 0 | 107.9 | |||||
| 2 | Q | 34.5 | Very low | 36.4 | Very low | 192 Ų | 192 | 150 Ų | 150 | 90% | 0.897 | 90% | 0.899 | S | S | * | * | trans | -136.6 | 158.7 | 178.3 | -92.4 | 175.6 | -11.2 | 0 | 0 | 108 | ||||
| 3 | S | 37 | Very low | 36.4 | Very low | 114 Ų | 114 | 151.4 Ų | 151.4 | 80% | 0.797 | 90% | 0.897 | S | S | * | * | trans | 64.9 | 108 | -175.3 | -64.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 4 | L | 37.9 | Very low | 36.2 | Very low | 161 Ų | 161 | 146.3 Ų | 146.3 | 84% | 0.843 | 89% | 0.892 | S | S | * | * | 175.8 | 105 | 112.4 | -93 | 162 | 0 | 0 | 0 | 109.1 | |||||
| 5 | F | 41.4 | Very low | 36 | Very low | 216 Ų | 216 | 142.1 Ų | 142.1 | 95% | 0.947 | 89% | 0.89 | S | S | * | * | trans | 174.7 | 91.6 | 139 | -92.1 | -59.9 | 0 | 0 | 0 | 107.8 | ||||
| 6 | G | 33.5 | Very low | 36 | Very low | 81 Ų | 81 | 138.8 Ų | 138.8 | 84% | 0.835 | 89% | 0.891 | S | S | * | * | trans | -109.9 | 163 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 7 | G | 32.4 | Very low | 35.8 | Very low | 90 Ų | 90 | 134.8 Ų | 134.8 | 93% | 0.928 | 88% | 0.882 | S | S | * | * | trans | 126 | 93.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 8 | G | 31.4 | Very low | 35.8 | Very low | 81 Ų | 81 | 133.4 Ų | 133.4 | 84% | 0.835 | 88% | 0.876 | S | S | * | * | trans | 164.7 | 36.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 9 | E | 35.9 | Very low | 35.9 | Very low | 187 Ų | 187 | 135 Ų | 135 | 87% | 0.874 | 88% | 0.876 | S | S | * | * | trans | -66.2 | 145.3 | 166.5 | -67.7 | 179.8 | 112.4 | 0 | 0 | 110.4 | ||||
| 10 | L | 38.1 | Very low | 36 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 93% | 0.927 | 87% | 0.873 | S | S | * | * | trans | -173.3 | 109.7 | 131.1 | -101.8 | 163 | 0 | 0 | 0 | 112.4 | ||||
| 11 | G | 35 | Very low | 35.9 | Very low | 70 Ų | 70 | 131.1 Ų | 131.1 | 72% | 0.722 | 88% | 0.875 | S | S | * | * | trans | 72 | 82.2 | 133.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 12 | L | 36 | Very low | 35.4 | Very low | 182 Ų | 182 | 123 Ų | 123 | 95% | 0.953 | 86% | 0.855 | S | S | * | * | trans | -82.2 | 108.6 | 147.7 | -87 | 166 | 0 | 0 | 0 | 109.7 | ||||
| 13 | L | 37.3 | Very low | 35.8 | Very low | 168 Ų | 168 | 122.4 Ų | 122.4 | 88% | 0.88 | 86% | 0.857 | S | S | * | * | trans | -139.4 | 131.3 | 160.4 | -65.9 | 172.9 | 0 | 0 | 0 | 106 | ||||
| 14 | G | 32.8 | Very low | 35.9 | Very low | 80 Ų | 80 | 124.5 Ų | 124.5 | 83% | 0.825 | 85% | 0.852 | S | S | * | * | cis | 103.9 | 91.4 | 15.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 15 | G | 33.9 | Very low | 36.2 | Very low | 84 Ų | 84 | 125.5 Ų | 125.5 | 87% | 0.866 | 85% | 0.852 | S | S | * | * | trans | 129.6 | 103.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 16 | G | 35 | Very low | 36.2 | Very low | 88 Ų | 88 | 121.5 Ų | 121.5 | 91% | 0.907 | 84% | 0.841 | S | S | * | * | trans | -91.1 | 145.3 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 17 | G | 33.5 | Very low | 36.3 | Very low | 71 Ų | 71 | 121.3 Ų | 121.3 | 73% | 0.732 | 84% | 0.839 | S | S | * | * | trans | 174.9 | 115.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 18 | S | 34.7 | Very low | 36.5 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 77% | 0.769 | 84% | 0.841 | S | S | * | * | trans | 53.2 | 123.1 | 152.2 | 59.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 19 | D | 39 | Very low | 36.8 | Very low | 164 Ų | 164 | 123 Ų | 123 | 88% | 0.877 | 83% | 0.833 | S | S | * | * | trans | 36 | 118.6 | 134.5 | -60.8 | -25 | 0 | 0 | 0 | 120.7 | ||||
| 20 | A | 37.1 | Very low | 36.8 | Very low | 100 Ų | 100 | 119.8 Ų | 119.8 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | 171.8 | 125.7 | 97.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 21 | G | 34.5 | Very low | 36.8 | Very low | 88 Ų | 88 | 119.2 Ų | 119.2 | 91% | 0.907 | 83% | 0.826 | S | S | * | * | trans | 74.2 | 155.3 | 142.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 22 | G | 32.9 | Very low | 37 | Very low | 79 Ų | 79 | 119.9 Ų | 119.9 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | trans | 131.4 | 73.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 23 | L | 42.4 | Very low | 37.1 | Very low | 180 Ų | 180 | 122.3 Ų | 122.3 | 94% | 0.942 | 82% | 0.821 | S | S | * | * | trans | -57.8 | 132.5 | 159.4 | -80.3 | 151.9 | 0 | 0 | 0 | 110.7 | ||||
| 24 | K | 39.3 | Very low | 37 | Very low | 158 Ų | 158 | 125.6 Ų | 125.6 | 69% | 0.687 | 82% | 0.822 | S | S | * | * | trans | -156.4 | 115.3 | 139.6 | -139.2 | 172.1 | 179.3 | -70.6 | 0 | 112.9 | D26 | K24-D26 IonicContact NZ-OD1 2.88Å; K24-D26 PolarHBondContact NZ-OD1 3.03Å; K24-D26 IonicContact NZ-OD2 2.61Å; K24-D26 PolarHBondContact NZ-OD2 3.03Å | ||
| 25 | E | 45 | Very low | 37.1 | Very low | 181 Ų | 181 | 128.9 Ų | 128.9 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | trans | -78 | 137.9 | 156.5 | -156.8 | -170.9 | -169.5 | 0 | 0 | 107.7 | ||||
| 26 | D | 40.1 | Very low | 37.3 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 71% | 0.706 | 82% | 0.819 | S | S | * | * | trans | -147.1 | 114.2 | 161.2 | -85.5 | -42.2 | 0 | 0 | 0 | 108.1 | K24 | K24-D26 IonicContact NZ-OD1 2.88Å; K24-D26 PolarHBondContact NZ-OD1 3.03Å; K24-D26 IonicContact NZ-OD2 2.61Å; K24-D26 PolarHBondContact NZ-OD2 3.03Å | ||
| 27 | G | 35.6 | Very low | 37.8 | Very low | 78 Ų | 78 | 130.5 Ų | 130.5 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -98.8 | 143.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 28 | C | 36.6 | Very low | 38.4 | Very low | 142 Ų | 142 | 134.7 Ų | 134.7 | 96% | 0.959 | 82% | 0.821 | S | S | * | * | trans | -161.7 | 141.1 | 161.6 | -159.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 29 | G | 39.1 | Very low | 39.2 | Very low | 65 Ų | 65 | 135 Ų | 135 | 67% | 0.67 | 82% | 0.82 | S | S | * | * | cis | -161.5 | 165.7 | 0.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M31 | G29-M31 PolarHBondContact O-N 3.31Š| ||
| 30 | S | 34.3 | Very low | 39.5 | Very low | 118 Ų | 118 | 132 Ų | 132 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -71.1 | 122.4 | -173.7 | -177 | 0 | 0 | 0 | 0 | 113.1 | A32 | S30-A32 PolarHBondContact O-N 3.43Š| ||
| 31 | M | 39.8 | Very low | 40.2 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -81.4 | 98.7 | 157.8 | -84.6 | -160.3 | 174.7 | 0 | 0 | 109.4 | G29 W33 | G29-M31 PolarHBondContact O-N 3.31Å; M31-W33 PolarHBondContact O-N 3.01Å; M31-W33 VanDerWaalsContact O-N 3.11Å | ||
| 32 | A | 38 | Very low | 41 | Very low | 84 Ų | 84 | 136.9 Ų | 136.9 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | trans | -71.3 | 99.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S30 R34 | S30-A32 PolarHBondContact O-N 3.43Å; A32-R34 PolarHBondContact O-N 3.48Å | ||
| 33 | W | 38.3 | Very low | 42 | Very low | 232 Ų | 232 | 139.2 Ų | 139.2 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -70.4 | 106.4 | 164.9 | -64.8 | 86.8 | 0 | 0 | 0 | 108.8 | M31 T35 | M31-W33 PolarHBondContact O-N 3.01Å; M31-W33 VanDerWaalsContact O-N 3.11Å; W33-T35 PolarHBondContact O-N 2.95Å | ||
| 34 | R | 35.8 | Very low | 42.6 | Very low | 238 Ų | 238 | 138.7 Ų | 138.7 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | -70.6 | 113 | 177.9 | -71.3 | -157 | -77.6 | -158.2 | -3.4 | 110.2 | A32 S36 | A32-R34 PolarHBondContact O-N 3.48Å; R34-S36 PolarHBondContact O-N 2.91Å | ||
| 35 | T | 35.3 | Very low | 43.5 | Very low | 148 Ų | 148 | 136 Ų | 136 | 91% | 0.908 | 79% | 0.789 | S | S | * | * | trans | -68.9 | 97.9 | 170.9 | -11.9 | 0 | 0 | 0 | 0 | 109.9 | W33 A37 | W33-T35 PolarHBondContact O-N 2.95Å; T35-A37 PolarHBondContact O-N 3.41Å | ||
| 36 | S | 36.3 | Very low | 44 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -72.6 | 114.7 | 169.7 | 50.3 | 0 | 0 | 0 | 0 | 109.8 | R34 L38 | R34-S36 PolarHBondContact O-N 2.91Å; S36-L38 PolarHBondContact O-N 3.17Å | ||
| 37 | A | 45.5 | Very low | 45.3 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | trans | -72.3 | 124.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | T35 | T35-A37 PolarHBondContact O-N 3.41Š| ||
| 38 | L | 46.1 | Very low | 47.1 | Very low | 160 Ų | 160 | 128.3 Ų | 128.3 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | trans | -133.3 | 143.1 | 164.1 | -78.8 | 175.7 | 0 | 0 | 0 | 109.1 | S36 | S36-L38 PolarHBondContact O-N 3.17Š| ||
| 39 | P | 51.7 | Low | 49.2 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 75% | 0.747 | 73% | 0.73 | S | S | * | * | trans | -96.7 | 161.8 | -168.3 | 37.7 | -36.4 | 0 | 0 | 0 | 114.6 | ||||
| 40 | S | 45.3 | Very low | 51.3 | Low | 103 Ų | 103 | 129.5 Ų | 129.5 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | trans | 67.3 | 113.2 | 152.7 | -145.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 41 | D | 52.4 | Low | 53.8 | Low | 135 Ų | 135 | 129.5 Ų | 129.5 | 72% | 0.722 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 13.7 | 103.7 | 134.8 | -59.5 | -39.8 | 0 | 0 | 0 | 118.4 | ||
| 42 | D | 51.8 | Low | 56 | Low | 155 Ų | 155 | 125.8 Ų | 125.8 | 83% | 0.829 | 70% | 0.698 | S | S | * | * | S | Bend | 163.1 | -10.5 | 127.9 | -95.9 | -17.8 | 0 | 0 | 0 | 111.9 | Y44 | D42-Y44 VanDerWaalsContact C-N 3.28Š| |
| 43 | V | 52.3 | Low | 58.4 | Low | 127 Ų | 127 | 124.1 Ų | 124.1 | 77% | 0.77 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -81.2 | -10 | 171.1 | -169.3 | 0 | 0 | 0 | 0 | 112.1 | S45 S47 | V43-S45 PolarHBondContact O-N 3.5Å; V43-S47 PolarHBondContact O-OG 3.21Å |
| 44 | Y | 56 | Low | 60.8 | Low | 169 Ų | 169 | 114.8 Ų | 114.8 | 66% | 0.663 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -76.3 | -19.6 | -168.8 | -109.5 | -89.3 | 0 | 0 | 0 | 115.5 | D42 S47 H48 | D42-Y44 VanDerWaalsContact C-N 3.28Å; Y44-S47 WeakPolarHBondContact CA-OG 3.27Å; Y44-S47 PolarHBondContact O-OG 3.47Å; Y44-H48 WeakPolarHBondContact O-CB 3.48Å; Y44-H48 PolarHBondContact O-N 2.98Å |
| 45 | S | 57.3 | Low | 63.5 | Low | 102 Ų | 102 | 111 Ų | 111 | 71% | 0.713 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72.6 | -45.3 | -174.6 | -151.4 | 0 | 0 | 0 | 0 | 112.5 | V43 F49 | V43-S45 PolarHBondContact O-N 3.5Å; S45-F49 WeakPolarHBondContact O-CB 3.33Å; S45-F49 PolarHBondContact O-N 3.19Å |
| 46 | A | 56.4 | Low | 66.3 | Low | 72 Ų | 72 | 109.3 Ų | 109.3 | 60% | 0.595 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71 | -40.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T50 | A46-T50 WeakPolarHBondContact O-CB 3.3Å; A46-T50 PolarHBondContact O-N 3.5Å; A46-T50 PolarHBondContact O-OG1 2.91Å |
| 47 | S | 66.9 | Low | 69.1 | Low | 56 Ų | 56 | 110 Ų | 110 | 39% | 0.392 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -71.5 | -38.2 | 178.8 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | V43 Y44 T50 L51 | V43-S47 PolarHBondContact O-OG 3.21Å; Y44-S47 WeakPolarHBondContact CA-OG 3.27Å; Y44-S47 PolarHBondContact O-OG 3.47Å; S47-T50 PolarHBondContact O-N 2.86Å; S47-L51 WeakPolarHBondContact O-CB 3.42Å; S47-L51 PolarHBondContact O-N 3.28Å |
| 48 | H | 73.9 | Confident | 71.4 | Confident | 102 Ų | 102 | 110.5 Ų | 110.5 | 47% | 0.472 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.7 | -40.4 | 174.7 | -172.7 | -112.2 | 0 | 0 | 0 | 112 | Y44 T50 L51 I52 | Y44-H48 WeakPolarHBondContact O-CB 3.48Å; Y44-H48 PolarHBondContact O-N 2.98Å; H48-T50 VanDerWaalsContact C-N 3.32Å; H48-T50 PolarHBondContact O-N 2.86Å; H48-L51 PolarHBondContact O-N 3.24Å; H48-I52 VanDerWaalsContact CE1-CD1 3.49Å; H48-I52 WeakPolarHBondContact CE1-CD1 3.5Å; H48-I52 WeakPolarHBondContact O-CG1 3.35Å; H48-I52 PolarHBondContact O-N 3.14Å |
| 49 | F | 81.1 | Confident | 73.7 | Confident | 141 Ų | 141 | 109 Ų | 109 | 62% | 0.618 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.6 | -37.5 | 172.6 | -172.6 | -95.8 | 0 | 0 | 0 | 112 | S45 S53 | S45-F49 WeakPolarHBondContact O-CB 3.33Å; S45-F49 PolarHBondContact O-N 3.19Å; F49-S53 VanDerWaalsContact O-CB 3.28Å; F49-S53 WeakPolarHBondContact O-CB 3.4Å; F49-S53 PolarHBondContact O-N 3.1Å; F49-S53 PolarHBondContact O-OG 3.44Å |
| 50 | T | 82.9 | Confident | 75.8 | Confident | 91 Ų | 91 | 107.7 Ų | 107.7 | 56% | 0.558 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.8 | -41.5 | 173 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | A46 S47 H48 S53 A54 | A46-T50 WeakPolarHBondContact O-CB 3.3Å; A46-T50 PolarHBondContact O-N 3.5Å; A46-T50 PolarHBondContact O-OG1 2.91Å; S47-T50 PolarHBondContact O-N 2.86Å; H48-T50 VanDerWaalsContact C-N 3.32Å; H48-T50 PolarHBondContact O-N 2.86Å; T50-S53 PolarHBondContact O-N 3.13Å; T50-A54 VanDerWaalsContact O-CB 3.28Å; T50-A54 WeakPolarHBondContact O-CB 3.39Å; T50-A54 PolarHBondContact O-N 3.41Å |
| 51 | L | 86.3 | Confident | 78.2 | Confident | 117 Ų | 117 | 110.8 Ų | 110.8 | 61% | 0.613 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66 | -43.1 | 176.8 | -178.5 | 62.7 | 0 | 0 | 0 | 112.3 | S47 H48 S53 A54 Y55 | S47-L51 WeakPolarHBondContact O-CB 3.42Å; S47-L51 PolarHBondContact O-N 3.28Å; H48-L51 PolarHBondContact O-N 3.24Å; L51-S53 VanDerWaalsContact C-N 3.34Å; L51-A54 PolarHBondContact O-N 3.44Å; L51-Y55 WeakPolarHBondContact O-CB 3.43Å; L51-Y55 PolarHBondContact O-N 2.9Å |
| 52 | I | 86.8 | Confident | 80.3 | Confident | 88 Ų | 88 | 108.9 Ų | 108.9 | 45% | 0.451 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.7 | -44.6 | 173.4 | -70.8 | 166.5 | 0 | 0 | 0 | 110.2 | H48 Y55 Q56 | H48-I52 VanDerWaalsContact CE1-CD1 3.49Å; H48-I52 WeakPolarHBondContact CE1-CD1 3.5Å; H48-I52 WeakPolarHBondContact O-CG1 3.35Å; H48-I52 PolarHBondContact O-N 3.14Å; I52-Y55 PolarHBondContact O-N 3.04Å; I52-Q56 WeakPolarHBondContact O-CB 3.37Å; I52-Q56 PolarHBondContact O-N 2.84Å |
| 53 | S | 88.2 | Confident | 82.3 | Confident | 49 Ų | 49 | 103.5 Ų | 103.5 | 34% | 0.343 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 178.8 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | F49 T50 L51 Q56 E57 | F49-S53 VanDerWaalsContact O-CB 3.28Å; F49-S53 WeakPolarHBondContact O-CB 3.4Å; F49-S53 PolarHBondContact O-N 3.1Å; F49-S53 PolarHBondContact O-OG 3.44Å; T50-S53 PolarHBondContact O-N 3.13Å; L51-S53 VanDerWaalsContact C-N 3.34Å; S53-Q56 PolarHBondContact O-N 3.3Å; S53-E57 WeakPolarHBondContact O-CB 3.48Å; S53-E57 PolarHBondContact O-N 3.04Å |
| 54 | A | 88.7 | Confident | 84.3 | Confident | 37 Ų | 37 | 98.9 Ų | 98.9 | 31% | 0.306 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T50 L51 E57 I58 | T50-A54 VanDerWaalsContact O-CB 3.28Å; T50-A54 WeakPolarHBondContact O-CB 3.39Å; T50-A54 PolarHBondContact O-N 3.41Å; L51-A54 PolarHBondContact O-N 3.44Å; A54-E57 PolarHBondContact O-N 2.9Å; A54-I58 WeakPolarHBondContact O-CB 3.37Å; A54-I58 WeakPolarHBondContact O-CD1 3.44Å; A54-I58 WeakPolarHBondContact O-CG1 3.31Å; A54-I58 PolarHBondContact O-N 3.08Å |
| 55 | Y | 92.9 | Very high | 86.2 | Confident | 159 Ų | 159 | 95.5 Ų | 95.5 | 62% | 0.624 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65 | -40.2 | 175 | -171.4 | -94.5 | 0 | 0 | 0 | 111.8 | L51 I52 I58 K59 | L51-Y55 WeakPolarHBondContact O-CB 3.43Å; L51-Y55 PolarHBondContact O-N 2.9Å; I52-Y55 PolarHBondContact O-N 3.04Å; Y55-I58 PolarHBondContact O-N 3.09Å; Y55-K59 VanDerWaalsContact O-CB 3.32Å; Y55-K59 WeakPolarHBondContact O-CB 3.35Å; Y55-K59 PolarHBondContact O-N 3.11Å |
| 56 | Q | 93.4 | Very high | 88.1 | Confident | 111 Ų | 111 | 96 Ų | 96 | 52% | 0.519 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.4 | -38.3 | 175.4 | -166.1 | 74.3 | -19 | 0 | 0 | 111.6 | I52 S53 K59 T60 | I52-Q56 WeakPolarHBondContact O-CB 3.37Å; I52-Q56 PolarHBondContact O-N 2.84Å; S53-Q56 PolarHBondContact O-N 3.3Å; Q56-K59 PolarHBondContact O-N 2.99Å; Q56-T60 WeakPolarHBondContact O-CG2 3.43Å; Q56-T60 PolarHBondContact O-N 3.3Å; Q56-T60 PolarHBondContact O-OG1 3.3Å |
| 57 | E | 94.8 | Very high | 90 | Very high | 121 Ų | 121 | 100.5 Ų | 100.5 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.5 | -46.2 | 172.6 | -169.5 | -169.8 | 156 | 0 | 0 | 111.7 | S53 A54 K59 T60 R61 | S53-E57 WeakPolarHBondContact O-CB 3.48Å; S53-E57 PolarHBondContact O-N 3.04Å; A54-E57 PolarHBondContact O-N 2.9Å; E57-K59 VanDerWaalsContact C-N 3.26Å; E57-K59 PolarHBondContact O-N 3.49Å; E57-T60 PolarHBondContact O-N 2.83Å; E57-T60 PolarHBondContact O-OG1 2.87Å; E57-R61 VanDerWaalsContact O-CB 3.26Å; E57-R61 WeakPolarHBondContact O-CB 3.41Å; E57-R61 PolarHBondContact O-N 3.46Å |
| 58 | I | 93.5 | Very high | 91.3 | Very high | 111 Ų | 111 | 102.5 Ų | 102.5 | 57% | 0.569 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.2 | -43.3 | 174.2 | -71.8 | 162.7 | 0 | 0 | 0 | 110 | A54 Y55 R61 L62 | A54-I58 WeakPolarHBondContact O-CB 3.37Å; A54-I58 WeakPolarHBondContact O-CD1 3.44Å; A54-I58 WeakPolarHBondContact O-CG1 3.31Å; A54-I58 PolarHBondContact O-N 3.08Å; Y55-I58 PolarHBondContact O-N 3.09Å; I58-R61 PolarHBondContact O-N 3.15Å; I58-L62 VanDerWaalsContact O-CB 3.31Å; I58-L62 WeakPolarHBondContact O-CB 3.37Å; I58-L62 PolarHBondContact O-N 3.05Å |
| 59 | K | 95.8 | Very high | 92.3 | Very high | 128 Ų | 128 | 101.4 Ų | 101.4 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.1 | -42.3 | 178.1 | -172.7 | 175.8 | -179 | 177.4 | 0 | 112.8 | Y55 Q56 E57 A63 | Y55-K59 VanDerWaalsContact O-CB 3.32Å; Y55-K59 WeakPolarHBondContact O-CB 3.35Å; Y55-K59 PolarHBondContact O-N 3.11Å; Q56-K59 PolarHBondContact O-N 2.99Å; E57-K59 VanDerWaalsContact C-N 3.26Å; E57-K59 PolarHBondContact O-N 3.49Å; K59-A63 PolarHBondContact O-N 3.35Å; K59-A63 VanDerWaalsContact O-N 3.1Å |
| 60 | T | 94.7 | Very high | 93.1 | Very high | 88 Ų | 88 | 98 Ų | 98 | 54% | 0.54 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.6 | -36.6 | 175.7 | 56.6 | 0 | 0 | 0 | 0 | 112 | Q56 E57 A63 S64 | Q56-T60 WeakPolarHBondContact O-CG2 3.43Å; Q56-T60 PolarHBondContact O-N 3.3Å; Q56-T60 PolarHBondContact O-OG1 3.3Å; E57-T60 PolarHBondContact O-N 2.83Å; E57-T60 PolarHBondContact O-OG1 2.87Å; T60-A63 PolarHBondContact O-N 3.45Å; T60-S64 PolarHBondContact O-N 3.13Å |
| 61 | R | 96.2 | Very high | 93.7 | Very high | 167 Ų | 167 | 95.7 Ų | 95.7 | 63% | 0.63 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.5 | -41.1 | 176.1 | -168.3 | 165.4 | -176.1 | 152.1 | -1 | 112 | E57 I58 S64 L65 | E57-R61 VanDerWaalsContact O-CB 3.26Å; E57-R61 WeakPolarHBondContact O-CB 3.41Å; E57-R61 PolarHBondContact O-N 3.46Å; I58-R61 PolarHBondContact O-N 3.15Å; R61-S64 WeakPolarHBondContact O-CB 3.3Å; R61-S64 PolarHBondContact O-N 3.11Å; R61-S64 VanDerWaalsContact O-N 3.14Å; R61-L65 WeakPolarHBondContact O-CG 3.32Å; R61-L65 PolarHBondContact O-N 2.76Å |
| 62 | L | 96.3 | Very high | 94.1 | Very high | 96 Ų | 96 | 95.4 Ų | 95.4 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.5 | -48.4 | 172.5 | -175.5 | 63.2 | 0 | 0 | 0 | 111 | I58 S64 L65 E66 | I58-L62 VanDerWaalsContact O-CB 3.31Å; I58-L62 WeakPolarHBondContact O-CB 3.37Å; I58-L62 PolarHBondContact O-N 3.05Å; L62-S64 PolarHBondContact O-N 3.04Å; L62-L65 PolarHBondContact O-N 2.84Å; L62-L65 VanDerWaalsContact O-N 3.12Å; L62-E66 WeakPolarHBondContact O-CG 3.48Å; L62-E66 PolarHBondContact O-N 3.29Å |
| 63 | A | 94.6 | Very high | 94.5 | Very high | 41 Ų | 41 | 97.7 Ų | 97.7 | 34% | 0.339 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.6 | -23.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K59 T60 R67 | K59-A63 PolarHBondContact O-N 3.35Å; K59-A63 VanDerWaalsContact O-N 3.1Å; T60-A63 PolarHBondContact O-N 3.45Å; A63-R67 VanDerWaalsContact O-CG 3.32Å; A63-R67 WeakPolarHBondContact O-CG 3.24Å; A63-R67 PolarHBondContact O-N 2.84Å; A63-R67 PolarHBondContact O-NE 3.49Å; A63-R67 VanDerWaalsContact O-NE 3.16Å |
| 64 | S | 94.1 | Very high | 94.8 | Very high | 31 Ų | 31 | 102.6 Ų | 102.6 | 22% | 0.217 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -74.1 | -48.3 | 169 | -155.8 | 0 | 0 | 0 | 0 | 111.8 | T60 R61 L62 E66 R67 E68 | T60-S64 PolarHBondContact O-N 3.13Å; R61-S64 WeakPolarHBondContact O-CB 3.3Å; R61-S64 PolarHBondContact O-N 3.11Å; R61-S64 VanDerWaalsContact O-N 3.14Å; L62-S64 PolarHBondContact O-N 3.04Å; S64-E66 VanDerWaalsContact C-N 3.29Å; S64-E66 PolarHBondContact O-N 2.97Å; S64-R67 WeakPolarHBondContact O-CB 3.38Å; S64-R67 PolarHBondContact O-N 2.96Å; S64-R67 VanDerWaalsContact O-N 3.08Å; S64-R67 PolarHBondContact OG-NH2 2.75Å; S64-E68 WeakPolarHBondContact O-CG 3.46Å; S64-E68 PolarHBondContact O-N 3.02Å; S64-E68 PolarHBondContact OG-OE1 3.41Å |
| 65 | L | 95.9 | Very high | 95.1 | Very high | 97 Ų | 97 | 106.7 Ų | 106.7 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.4 | -36.5 | 178.1 | -70.3 | 171 | 0 | 0 | 0 | 112.2 | R61 L62 E68 N69 | R61-L65 WeakPolarHBondContact O-CG 3.32Å; R61-L65 PolarHBondContact O-N 2.76Å; L62-L65 PolarHBondContact O-N 2.84Å; L62-L65 VanDerWaalsContact O-N 3.12Å; L65-E68 PolarHBondContact O-N 3.49Å; L65-N69 WeakPolarHBondContact O-CB 3.28Å; L65-N69 PolarHBondContact O-N 3.29Å |
| 66 | E | 96.3 | Very high | 95 | Very high | 114 Ų | 114 | 103.8 Ų | 103.8 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 172.8 | -73.1 | 173 | 162 | 0 | 0 | 111.8 | L62 S64 E68 N69 T70 | L62-E66 WeakPolarHBondContact O-CG 3.48Å; L62-E66 PolarHBondContact O-N 3.29Å; S64-E66 VanDerWaalsContact C-N 3.29Å; S64-E66 PolarHBondContact O-N 2.97Å; E66-E68 PolarHBondContact O-N 3.4Å; E66-N69 PolarHBondContact O-N 2.99Å; E66-T70 WeakPolarHBondContact O-CG2 3.49Å; E66-T70 PolarHBondContact O-N 3.4Å |
| 67 | R | 95.9 | Very high | 94.8 | Very high | 165 Ų | 165 | 104.8 Ų | 104.8 | 62% | 0.623 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.1 | -40.5 | 175.6 | -70.1 | 179.4 | -57.2 | 148.2 | 10.7 | 111.7 | A63 S64 T70 S71 | A63-R67 VanDerWaalsContact O-CG 3.32Å; A63-R67 WeakPolarHBondContact O-CG 3.24Å; A63-R67 PolarHBondContact O-N 2.84Å; A63-R67 PolarHBondContact O-NE 3.49Å; A63-R67 VanDerWaalsContact O-NE 3.16Å; S64-R67 WeakPolarHBondContact O-CB 3.38Å; S64-R67 PolarHBondContact O-N 2.96Å; S64-R67 VanDerWaalsContact O-N 3.08Å; S64-R67 PolarHBondContact OG-NH2 2.75Å; R67-T70 PolarHBondContact O-N 2.79Å; R67-T70 PolarHBondContact O-OG1 2.98Å; R67-S71 WeakPolarHBondContact O-CB 3.31Å; R67-S71 PolarHBondContact O-N 2.89Å |
| 68 | E | 95.4 | Very high | 94.6 | Very high | 98 Ų | 98 | 103 Ų | 103 | 46% | 0.458 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 174.5 | -72.7 | 162.9 | -137 | 0 | 0 | 111.4 | S64 L65 E66 T70 S71 I72 | S64-E68 WeakPolarHBondContact O-CG 3.46Å; S64-E68 PolarHBondContact O-N 3.02Å; S64-E68 PolarHBondContact OG-OE1 3.41Å; L65-E68 PolarHBondContact O-N 3.49Å; E66-E68 PolarHBondContact O-N 3.4Å; E68-T70 PolarHBondContact O-N 3.24Å; E68-S71 CarbonylContact O-C 3.57Å; E68-S71 WeakPolarHBondContact O-CA 3.42Å; E68-S71 VanDerWaalsContact O-CB 3.3Å; E68-S71 WeakPolarHBondContact O-CB 3.48Å; E68-S71 PolarHBondContact O-N 3.09Å; E68-S71 VanDerWaalsContact O-N 3.07Å; E68-I72 WeakPolarHBondContact O-CG1 3.35Å; E68-I72 PolarHBondContact O-N 2.94Å |
| 69 | N | 95.6 | Very high | 94.3 | Very high | 79 Ų | 79 | 104 Ų | 104 | 42% | 0.422 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 176.3 | -165.8 | -65.7 | 0 | 0 | 0 | 111.7 | L65 E66 S71 I72 K73 | L65-N69 WeakPolarHBondContact O-CB 3.28Å; L65-N69 PolarHBondContact O-N 3.29Å; E66-N69 PolarHBondContact O-N 2.99Å; N69-S71 VanDerWaalsContact C-N 3.28Å; N69-S71 PolarHBondContact O-N 3.04Å; N69-I72 PolarHBondContact O-N 3.17Å; N69-K73 WeakPolarHBondContact O-CB 3.46Å; N69-K73 WeakPolarHBondContact O-CG 3.43Å; N69-K73 PolarHBondContact O-N 3.28Å; N69-K73 WeakPolarHBondContact OD1-CD 3.37Å; N69-K73 WeakPolarHBondContact OD1-CE 3.44Å; N69-K73 PolarHBondContact OD1-NZ 3.34Å |
| 70 | T | 96.2 | Very high | 93.7 | Very high | 70 Ų | 70 | 102.9 Ų | 102.9 | 43% | 0.429 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.2 | -26.9 | 173.1 | 66 | 0 | 0 | 0 | 0 | 113.3 | E66 R67 E68 R74 | E66-T70 WeakPolarHBondContact O-CG2 3.49Å; E66-T70 PolarHBondContact O-N 3.4Å; R67-T70 PolarHBondContact O-N 2.79Å; R67-T70 PolarHBondContact O-OG1 2.98Å; E68-T70 PolarHBondContact O-N 3.24Å; T70-R74 WeakPolarHBondContact O-CG 3.37Å; T70-R74 PolarHBondContact O-N 3.2Å; T70-R74 PolarHBondContact O-NE 2.76Å |
| 71 | S | 95.4 | Very high | 93.2 | Very high | 43 Ų | 43 | 104.5 Ų | 104.5 | 30% | 0.301 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72.3 | -44.7 | 172.9 | -169.4 | 0 | 0 | 0 | 0 | 111 | R67 E68 N69 R74 K75 | R67-S71 WeakPolarHBondContact O-CB 3.31Å; R67-S71 PolarHBondContact O-N 2.89Å; E68-S71 CarbonylContact O-C 3.57Å; E68-S71 WeakPolarHBondContact O-CA 3.42Å; E68-S71 VanDerWaalsContact O-CB 3.3Å; E68-S71 WeakPolarHBondContact O-CB 3.48Å; E68-S71 PolarHBondContact O-N 3.09Å; E68-S71 VanDerWaalsContact O-N 3.07Å; N69-S71 VanDerWaalsContact C-N 3.28Å; N69-S71 PolarHBondContact O-N 3.04Å; S71-R74 PolarHBondContact O-N 3.02Å; S71-K75 WeakPolarHBondContact O-CG 3.4Å; S71-K75 PolarHBondContact O-N 3.38Å |
| 72 | I | 95.6 | Very high | 92.6 | Very high | 111 Ų | 111 | 103.2 Ų | 103.2 | 57% | 0.569 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.3 | -47.3 | 174.7 | -67.6 | 164.3 | 0 | 0 | 0 | 110.4 | E68 N69 R74 K75 L76 | E68-I72 WeakPolarHBondContact O-CG1 3.35Å; E68-I72 PolarHBondContact O-N 2.94Å; N69-I72 PolarHBondContact O-N 3.17Å; I72-R74 VanDerWaalsContact C-N 3.3Å; I72-R74 PolarHBondContact O-N 3.09Å; I72-K75 CarbonylContact O-C 3.58Å; I72-K75 PolarHBondContact O-N 2.88Å; I72-K75 VanDerWaalsContact O-N 3.09Å; I72-L76 WeakPolarHBondContact O-CB 3.33Å; I72-L76 PolarHBondContact O-N 3.26Å |
| 73 | K | 95.3 | Very high | 91.7 | Very high | 136 Ų | 136 | 105.5 Ų | 105.5 | 59% | 0.591 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.2 | -40.1 | 175 | -77.2 | 173.8 | 173.5 | 167.3 | 0 | 112.7 | N69 K77 | N69-K73 WeakPolarHBondContact O-CB 3.46Å; N69-K73 WeakPolarHBondContact O-CG 3.43Å; N69-K73 PolarHBondContact O-N 3.28Å; N69-K73 WeakPolarHBondContact OD1-CD 3.37Å; N69-K73 WeakPolarHBondContact OD1-CE 3.44Å; N69-K73 PolarHBondContact OD1-NZ 3.34Å; K73-K77 WeakPolarHBondContact O-CB 3.42Å; K73-K77 PolarHBondContact O-N 3.08Å |
| 74 | R | 95.3 | Very high | 90.4 | Very high | 152 Ų | 152 | 108 Ų | 108 | 57% | 0.574 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.2 | -42.3 | 173.4 | -79.7 | 177.9 | -71.6 | 148.8 | -7.5 | 112.4 | T70 S71 I72 K77 I78 | T70-R74 WeakPolarHBondContact O-CG 3.37Å; T70-R74 PolarHBondContact O-N 3.2Å; T70-R74 PolarHBondContact O-NE 2.76Å; S71-R74 PolarHBondContact O-N 3.02Å; I72-R74 VanDerWaalsContact C-N 3.3Å; I72-R74 PolarHBondContact O-N 3.09Å; R74-K77 PolarHBondContact O-N 3.1Å; R74-I78 WeakPolarHBondContact O-CB 3.23Å; R74-I78 WeakPolarHBondContact O-CD1 3.33Å; R74-I78 WeakPolarHBondContact O-CG1 3.47Å; R74-I78 PolarHBondContact O-N 3.41Å |
| 75 | K | 94.6 | Very high | 88.7 | Confident | 123 Ų | 123 | 110.1 Ų | 110.1 | 54% | 0.535 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 175.3 | -73.7 | 179.4 | 179.9 | -176.7 | 0 | 112.1 | S71 I72 I78 Y79 | S71-K75 WeakPolarHBondContact O-CG 3.4Å; S71-K75 PolarHBondContact O-N 3.38Å; I72-K75 CarbonylContact O-C 3.58Å; I72-K75 PolarHBondContact O-N 2.88Å; I72-K75 VanDerWaalsContact O-N 3.09Å; K75-I78 CarbonylContact O-C 3.57Å; K75-I78 WeakPolarHBondContact O-CB 3.42Å; K75-I78 PolarHBondContact O-N 3.22Å; K75-Y79 WeakPolarHBondContact O-CD2 3.5Å; K75-Y79 PolarHBondContact O-N 3.46Å |
| 76 | L | 89.8 | Confident | 86.8 | Confident | 97 Ų | 97 | 112.7 Ų | 112.7 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.4 | -50 | 175.1 | -174.7 | 66 | 0 | 0 | 0 | 110 | I72 I78 Y79 E80 | I72-L76 WeakPolarHBondContact O-CB 3.33Å; I72-L76 PolarHBondContact O-N 3.26Å; L76-I78 VanDerWaalsContact C-N 3.29Å; L76-I78 PolarHBondContact O-N 3.01Å; L76-Y79 CarbonylContact O-C 3.56Å; L76-Y79 WeakPolarHBondContact O-CA 3.34Å; L76-Y79 PolarHBondContact O-N 3.49Å; L76-E80 WeakPolarHBondContact O-CG 3.44Å; L76-E80 PolarHBondContact O-N 2.88Å |
| 77 | K | 90.4 | Very high | 84.7 | Confident | 133 Ų | 133 | 112.7 Ų | 112.7 | 58% | 0.578 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.1 | -34 | 174.9 | -168.9 | 163.6 | -173.2 | 166.5 | 0 | 113.7 | K73 R74 Y79 E80 I81 | K73-K77 WeakPolarHBondContact O-CB 3.42Å; K73-K77 PolarHBondContact O-N 3.08Å; R74-K77 PolarHBondContact O-N 3.1Å; K77-Y79 VanDerWaalsContact C-N 3.35Å; K77-E80 WeakPolarHBondContact CA-OE2 3.41Å; K77-I81 HydrophobicContact CG-CD1 4.24Å; K77-I81 WeakPolarHBondContact O-CB 3.34Å; K77-I81 WeakPolarHBondContact O-CD1 3.31Å; K77-I81 WeakPolarHBondContact O-CG1 3.39Å; K77-I81 PolarHBondContact O-N 3.06Å; K77-I81 VanDerWaalsContact O-N 3.09Å |
| 78 | I | 89.5 | Confident | 82.6 | Confident | 83 Ų | 83 | 110.2 Ų | 110.2 | 43% | 0.426 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.8 | -35.2 | 171.4 | -71.2 | 162.2 | 0 | 0 | 0 | 111.1 | R74 K75 L76 I81 K82 | R74-I78 WeakPolarHBondContact O-CB 3.23Å; R74-I78 WeakPolarHBondContact O-CD1 3.33Å; R74-I78 WeakPolarHBondContact O-CG1 3.47Å; R74-I78 PolarHBondContact O-N 3.41Å; K75-I78 CarbonylContact O-C 3.57Å; K75-I78 WeakPolarHBondContact O-CB 3.42Å; K75-I78 PolarHBondContact O-N 3.22Å; L76-I78 VanDerWaalsContact C-N 3.29Å; L76-I78 PolarHBondContact O-N 3.01Å; I78-I81 PolarHBondContact O-N 3.48Å; I78-K82 HydrophobicContact CG2-CD 3.93Å; I78-K82 HydrophobicContact CG2-CG 4.32Å; I78-K82 VanDerWaalsContact O-CB 3.31Å; I78-K82 WeakPolarHBondContact O-CB 3.36Å; I78-K82 VanDerWaalsContact O-CG 3.25Å; I78-K82 WeakPolarHBondContact O-CG 3.24Å; I78-K82 PolarHBondContact O-N 3.23Å |
| 79 | Y | 87.1 | Confident | 80.5 | Confident | 131 Ų | 131 | 114.9 Ų | 114.9 | 51% | 0.514 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -75.7 | -35 | 174.6 | -69.1 | -40.8 | 0 | 0 | 0 | 113.1 | K75 L76 K77 I81 K82 F83 | K75-Y79 WeakPolarHBondContact O-CD2 3.5Å; K75-Y79 PolarHBondContact O-N 3.46Å; L76-Y79 CarbonylContact O-C 3.56Å; L76-Y79 WeakPolarHBondContact O-CA 3.34Å; L76-Y79 PolarHBondContact O-N 3.49Å; K77-Y79 VanDerWaalsContact C-N 3.35Å; Y79-I81 PolarHBondContact O-N 3.42Å; Y79-K82 HydrophobicContact CD1-CD 4.44Å; Y79-K82 PolarHBondContact O-N 2.84Å; Y79-F83 AromaticContact CD1-CD2 3.96Å; Y79-F83 HydrophobicContact CD1-CD2 3.96Å; Y79-F83 AromaticContact CD1-CE2 3.76Å; Y79-F83 HydrophobicContact CD1-CE2 3.76Å; Y79-F83 HydrophobicContact CE1-CE2 4.21Å; Y79-F83 CarbonylContact O-C 3.6Å; Y79-F83 WeakPolarHBondContact O-CA 3.33Å; Y79-F83 WeakPolarHBondContact O-CB 3.41Å; Y79-F83 PolarHBondContact O-N 3.42Å |
| 80 | E | 83.9 | Confident | 78.4 | Confident | 106 Ų | 106 | 113.3 Ų | 113.3 | 50% | 0.495 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -57.5 | -38.2 | 167.6 | -69.4 | 162.9 | -174.2 | 0 | 0 | 111.1 | L76 K77 P84 | L76-E80 WeakPolarHBondContact O-CG 3.44Å; L76-E80 PolarHBondContact O-N 2.88Å; K77-E80 WeakPolarHBondContact CA-OE2 3.41Å; E80-P84 VanDerWaalsContact O-CA 3.24Å; E80-P84 WeakPolarHBondContact O-CA 3.25Å; E80-P84 WeakPolarHBondContact O-CB 3.46Å |
| 81 | I | 84.2 | Confident | 76.2 | Confident | 122 Ų | 122 | 119.3 Ų | 119.3 | 63% | 0.626 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -78.6 | -34.3 | 177.4 | -67.1 | 164.2 | 0 | 0 | 0 | 112.6 | K77 I78 Y79 | K77-I81 HydrophobicContact CG-CD1 4.24Å; K77-I81 WeakPolarHBondContact O-CB 3.34Å; K77-I81 WeakPolarHBondContact O-CD1 3.31Å; K77-I81 WeakPolarHBondContact O-CG1 3.39Å; K77-I81 PolarHBondContact O-N 3.06Å; K77-I81 VanDerWaalsContact O-N 3.09Å; I78-I81 PolarHBondContact O-N 3.48Å; Y79-I81 PolarHBondContact O-N 3.42Å |
| 82 | K | 83.4 | Confident | 73.8 | Confident | 140 Ų | 140 | 122.7 Ų | 122.7 | 61% | 0.609 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -81.9 | -30.9 | 179.9 | -78.4 | -178.9 | 175.9 | -169 | 0 | 113.7 | I78 Y79 | I78-K82 HydrophobicContact CG2-CD 3.93Å; I78-K82 HydrophobicContact CG2-CG 4.32Å; I78-K82 VanDerWaalsContact O-CB 3.31Å; I78-K82 WeakPolarHBondContact O-CB 3.36Å; I78-K82 VanDerWaalsContact O-CG 3.25Å; I78-K82 WeakPolarHBondContact O-CG 3.24Å; I78-K82 PolarHBondContact O-N 3.23Å; Y79-K82 HydrophobicContact CD1-CD 4.44Å; Y79-K82 PolarHBondContact O-N 2.84Å |
| 83 | F | 78.1 | Confident | 71.9 | Confident | 144 Ų | 144 | 124.3 Ų | 124.3 | 63% | 0.632 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -130.1 | 63.2 | -179.6 | -52.7 | -73.7 | 0 | 0 | 0 | 108.8 | Y79 M85 | Y79-F83 AromaticContact CD1-CD2 3.96Å; Y79-F83 HydrophobicContact CD1-CD2 3.96Å; Y79-F83 AromaticContact CD1-CE2 3.76Å; Y79-F83 HydrophobicContact CD1-CE2 3.76Å; Y79-F83 HydrophobicContact CE1-CE2 4.21Å; Y79-F83 CarbonylContact O-C 3.6Å; Y79-F83 WeakPolarHBondContact O-CA 3.33Å; Y79-F83 WeakPolarHBondContact O-CB 3.41Å; Y79-F83 PolarHBondContact O-N 3.42Å; F83-M85 PolarHBondContact O-N 3.05Å |
| 84 | P | 66.9 | Low | 69.8 | Low | 94 Ų | 94 | 124.9 Ų | 124.9 | 61% | 0.61 | 63% | 0.625 | S | S | * | * | trans | -72.5 | 84.1 | 175.2 | 31.2 | -32.8 | 0 | 0 | 0 | 108.6 | E80 | E80-P84 VanDerWaalsContact O-CA 3.24Å; E80-P84 WeakPolarHBondContact O-CA 3.25Å; E80-P84 WeakPolarHBondContact O-CB 3.46Å | ||
| 85 | M | 57.8 | Low | 68 | Low | 75 Ų | 75 | 122.6 Ų | 122.6 | 37% | 0.369 | 63% | 0.632 | S | S | . | * | trans | 162.5 | 104.1 | 159.1 | -93.8 | -165.5 | -36.8 | 0 | 0 | 110 | F83 Y96 | F83-M85 PolarHBondContact O-N 3.05Å; M85-Y96 HydrophobicContact CE-CD1 3.51Å; M85-Y96 HydrophobicContact CE-CD2 3.37Å; M85-Y96 HydrophobicContact CE-CE1 3.63Å; M85-Y96 HydrophobicContact CE-CE2 3.47Å; M85-Y96 VanDerWaalsContact CE-CE2 3.47Å; M85-Y96 HydrophobicContact CE-CG 3.39Å; M85-Y96 HydrophobicContact SD-CD1 4.22Å; M85-Y96 HydrophobicContact SD-CD2 3.72Å; M85-Y96 HydrophobicContact SD-CE2 4.39Å; M85-Y96 HydrophobicContact SD-CG 3.62Å | ||
| 86 | I | 56.3 | Low | 65.8 | Low | 150 Ų | 150 | 124.9 Ų | 124.9 | 77% | 0.769 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -149.8 | 32 | 135.8 | -32.5 | 174.4 | 0 | 0 | 0 | 110.3 | F89 | I86-F89 HydrophobicContact CG2-CD2 4.08Å; I86-F89 HydrophobicContact CG2-CE2 3.83Å |
| 87 | S | 52.6 | Low | 63.9 | Low | 114 Ų | 114 | 122.6 Ų | 122.6 | 80% | 0.797 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -115.9 | 3 | 177 | -164.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 88 | E | 50.8 | Low | 61.9 | Low | 113 Ų | 113 | 120.8 Ų | 120.8 | 53% | 0.528 | 63% | 0.634 | S | S | . | * | trans | -114.4 | 41 | -176.2 | -69.9 | 168.9 | -151.2 | 0 | 0 | 110.8 | ||||
| 89 | F | 51.2 | Low | 59.9 | Low | 196 Ų | 196 | 124.6 Ų | 124.6 | 86% | 0.86 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -83 | -3.4 | 163.4 | -88.2 | -71.5 | 0 | 0 | 0 | 112.8 | I86 | I86-F89 HydrophobicContact CG2-CD2 4.08Å; I86-F89 HydrophobicContact CG2-CE2 3.83Å |
| 90 | G | 52.8 | Low | 58.3 | Low | 46 Ų | 46 | 123.9 Ų | 123.9 | 47% | 0.474 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -112.9 | 123.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | D92 | G90-D92 PolarHBondContact O-N 3.18Š|
| 91 | E | 49 | Very low | 57.2 | Low | 196 Ų | 196 | 121.6 Ų | 121.6 | 92% | 0.916 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 76.4 | 18.7 | 147.1 | -57.6 | 170.9 | -160.7 | 0 | 0 | 120 | ||
| 92 | D | 45 | Very low | 56.2 | Low | 114 Ų | 114 | 122.6 Ų | 122.6 | 61% | 0.61 | 65% | 0.645 | S | S | * | * | trans | -125.5 | 79.1 | 166.8 | -96.1 | -52.2 | 0 | 0 | 0 | 113.9 | G90 N94 | G90-D92 PolarHBondContact O-N 3.18Å; D92-N94 PolarHBondContact O-N 3.07Å | ||
| 93 | T | 56.1 | Low | 55.8 | Low | 145 Ų | 145 | 119.3 Ų | 119.3 | 89% | 0.89 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 13.5 | -176.6 | 23.2 | 0 | 0 | 0 | 0 | 116.2 | ||
| 94 | N | 51.4 | Low | 55.7 | Low | 149 Ų | 149 | 115.8 Ų | 115.8 | 80% | 0.797 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.8 | 10.3 | -167.4 | -123.9 | -9.5 | 0 | 0 | 0 | 120.1 | D92 | D92-N94 PolarHBondContact O-N 3.07Š|
| 95 | S | 56.1 | Low | 56.5 | Low | 103 Ų | 103 | 113.8 Ų | 113.8 | 72% | 0.72 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -122.2 | -0.2 | -174.8 | -151.9 | 0 | 0 | 0 | 0 | 117.4 | ||
| 96 | Y | 48.6 | Very low | 57.9 | Low | 171 Ų | 171 | 115.5 Ų | 115.5 | 67% | 0.671 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -123.1 | 51.4 | 167.9 | -162.9 | -96 | 0 | 0 | 0 | 111.9 | M85 | M85-Y96 HydrophobicContact CE-CD1 3.51Å; M85-Y96 HydrophobicContact CE-CD2 3.37Å; M85-Y96 HydrophobicContact CE-CE1 3.63Å; M85-Y96 HydrophobicContact CE-CE2 3.47Å; M85-Y96 VanDerWaalsContact CE-CE2 3.47Å; M85-Y96 HydrophobicContact CE-CG 3.39Å; M85-Y96 HydrophobicContact SD-CD1 4.22Å; M85-Y96 HydrophobicContact SD-CD2 3.72Å; M85-Y96 HydrophobicContact SD-CE2 4.39Å; M85-Y96 HydrophobicContact SD-CG 3.62Å |
| 97 | C | 50.3 | Low | 59.4 | Low | 50 Ų | 50 | 113.4 Ų | 113.4 | 34% | 0.338 | 62% | 0.615 | S | S | . | * | trans | -154.5 | 55 | -176.9 | -139.1 | 0 | 0 | 0 | 0 | 115.1 | E100 S101 | C97-E100 WeakPolarHBondContact SG-CB 3.37Å; C97-S101 WeakPolarHBondContact CB-OG 3.33Å; C97-S101 WeakPolarHBondContact O-CB 3.46Å; C97-S101 PolarHBondContact O-OG 2.83Å; C97-S101 VanDerWaalsContact O-OG 3.1Å; C97-S101 PolarHBondContact SG-N 3.07Å; C97-S101 PolarHBondContact SG-OG 3.24Å | ||
| 98 | S | 49 | Very low | 61 | Low | 95 Ų | 95 | 114.9 Ų | 114.9 | 66% | 0.664 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -90.8 | -27.1 | 167.2 | -161.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 99 | F | 47.1 | Very low | 62.9 | Low | 163 Ų | 163 | 112.9 Ų | 112.9 | 72% | 0.715 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -85.3 | -61.6 | 177.5 | -168.2 | -107.5 | 0 | 0 | 0 | 110.1 | S101 K102 D103 | F99-S101 PolarHBondContact O-N 3.26Å; F99-K102 PolarHBondContact O-N 3.28Å; F99-K102 VanDerWaalsContact O-N 3.09Å; F99-D103 PolarHBondContact O-N 3.11Å |
| 100 | E | 53.2 | Low | 64.9 | Low | 116 Ų | 116 | 108.9 Ų | 108.9 | 54% | 0.542 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.8 | -33.3 | -179.8 | -75.4 | 178.5 | 163 | 0 | 0 | 114.5 | C97 K102 D103 T104 | C97-E100 WeakPolarHBondContact SG-CB 3.37Å; E100-K102 VanDerWaalsContact C-N 3.3Å; E100-K102 PolarHBondContact O-N 2.82Å; E100-D103 PolarHBondContact O-N 2.96Å; E100-T104 WeakPolarHBondContact O-CB 3.4Å; E100-T104 WeakPolarHBondContact O-CG2 3.33Å; E100-T104 PolarHBondContact O-N 2.86Å; E100-T104 PolarHBondContact O-OG1 2.81Å |
| 101 | S | 60.9 | Low | 66.8 | Low | 57 Ų | 57 | 110.8 Ų | 110.8 | 40% | 0.399 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.2 | -26.3 | 175.8 | -73.3 | 0 | 0 | 0 | 0 | 113.6 | C97 F99 T104 A105 | C97-S101 WeakPolarHBondContact CB-OG 3.33Å; C97-S101 WeakPolarHBondContact O-CB 3.46Å; C97-S101 PolarHBondContact O-OG 2.83Å; C97-S101 VanDerWaalsContact O-OG 3.1Å; C97-S101 PolarHBondContact SG-N 3.07Å; C97-S101 PolarHBondContact SG-OG 3.24Å; F99-S101 PolarHBondContact O-N 3.26Å; S101-T104 VanDerWaalsContact CA-OG1 3.31Å; S101-T104 WeakPolarHBondContact CA-OG1 3.35Å; S101-T104 PolarHBondContact O-OG1 3.29Å; S101-A105 WeakPolarHBondContact O-CB 3.25Å; S101-A105 PolarHBondContact O-N 3.42Å |
| 102 | K | 64.2 | Low | 69 | Low | 144 Ų | 144 | 103.4 Ų | 103.4 | 63% | 0.626 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -77.6 | -43.1 | 173.6 | -77.3 | 178.6 | 179.6 | 169.7 | 0 | 111.1 | F99 E100 A105 L106 | F99-K102 PolarHBondContact O-N 3.28Å; F99-K102 VanDerWaalsContact O-N 3.09Å; E100-K102 VanDerWaalsContact C-N 3.3Å; E100-K102 PolarHBondContact O-N 2.82Å; K102-A105 PolarHBondContact O-N 3.41Å; K102-L106 WeakPolarHBondContact O-CB 3.11Å; K102-L106 PolarHBondContact O-N 3.22Å |
| 103 | D | 74.4 | Confident | 71.5 | Confident | 70 Ų | 70 | 101.8 Ų | 101.8 | 37% | 0.374 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.4 | -40.3 | 178.7 | -68.4 | -13.3 | 0 | 0 | 0 | 111.3 | F99 E100 L106 L107 | F99-D103 PolarHBondContact O-N 3.11Å; E100-D103 PolarHBondContact O-N 2.96Å; D103-L106 PolarHBondContact O-N 3Å; D103-L107 VanDerWaalsContact O-CB 3.32Å; D103-L107 WeakPolarHBondContact O-CB 3.41Å; D103-L107 WeakPolarHBondContact O-CG 3.38Å; D103-L107 PolarHBondContact O-N 3.16Å |
| 104 | T | 76.4 | Confident | 73.4 | Confident | 70 Ų | 70 | 98.6 Ų | 98.6 | 43% | 0.429 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 174.1 | 48.6 | 0 | 0 | 0 | 0 | 112.9 | E100 S101 Q108 | E100-T104 WeakPolarHBondContact O-CB 3.4Å; E100-T104 WeakPolarHBondContact O-CG2 3.33Å; E100-T104 PolarHBondContact O-N 2.86Å; E100-T104 PolarHBondContact O-OG1 2.81Å; S101-T104 VanDerWaalsContact CA-OG1 3.31Å; S101-T104 WeakPolarHBondContact CA-OG1 3.35Å; S101-T104 PolarHBondContact O-OG1 3.29Å; T104-Q108 WeakPolarHBondContact O-CB 3.39Å; T104-Q108 VanDerWaalsContact O-CG 3.23Å; T104-Q108 WeakPolarHBondContact O-CG 3.35Å; T104-Q108 PolarHBondContact O-N 2.9Å |
| 105 | A | 83.1 | Confident | 75.6 | Confident | 53 Ų | 53 | 96.8 Ų | 96.8 | 44% | 0.438 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.1 | -40 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S101 K102 Q108 S109 | S101-A105 WeakPolarHBondContact O-CB 3.25Å; S101-A105 PolarHBondContact O-N 3.42Å; K102-A105 PolarHBondContact O-N 3.41Å; A105-Q108 PolarHBondContact O-N 3.49Å; A105-S109 PolarHBondContact O-N 3.03Å |
| 106 | L | 86.3 | Confident | 77.6 | Confident | 110 Ų | 110 | 98 Ų | 98 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.9 | -50.9 | 173.5 | -108.3 | 168.5 | 0 | 0 | 0 | 111 | K102 D103 Q108 S109 E110 | K102-L106 WeakPolarHBondContact O-CB 3.11Å; K102-L106 PolarHBondContact O-N 3.22Å; D103-L106 PolarHBondContact O-N 3Å; L106-Q108 VanDerWaalsContact C-N 3.31Å; L106-Q108 PolarHBondContact O-N 3.35Å; L106-S109 CarbonylContact O-C 3.59Å; L106-S109 PolarHBondContact O-N 2.91Å; L106-S109 PolarHBondContact O-OG 2.95Å; L106-E110 WeakPolarHBondContact O-CB 3.21Å; L106-E110 PolarHBondContact O-N 2.89Å |
| 107 | L | 88.2 | Confident | 79.9 | Confident | 107 Ų | 107 | 96.1 Ų | 96.1 | 56% | 0.56 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.9 | -38 | 177.2 | -73 | 168.2 | 0 | 0 | 0 | 112.3 | D103 N111 | D103-L107 VanDerWaalsContact O-CB 3.32Å; D103-L107 WeakPolarHBondContact O-CB 3.41Å; D103-L107 WeakPolarHBondContact O-CG 3.38Å; D103-L107 PolarHBondContact O-N 3.16Å; L107-N111 WeakPolarHBondContact O-CB 3.49Å; L107-N111 PolarHBondContact O-N 3.44Å |
| 108 | Q | 87.2 | Confident | 82.1 | Confident | 144 Ų | 144 | 97.6 Ų | 97.6 | 67% | 0.673 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.7 | -42.2 | 172.9 | -76.2 | 173.2 | 13 | 0 | 0 | 111.7 | T104 A105 L106 G112 | T104-Q108 WeakPolarHBondContact O-CB 3.39Å; T104-Q108 VanDerWaalsContact O-CG 3.23Å; T104-Q108 WeakPolarHBondContact O-CG 3.35Å; T104-Q108 PolarHBondContact O-N 2.9Å; A105-Q108 PolarHBondContact O-N 3.49Å; L106-Q108 VanDerWaalsContact C-N 3.31Å; L106-Q108 PolarHBondContact O-N 3.35Å; Q108-G112 PolarHBondContact O-N 3.31Å |
| 109 | S | 90.4 | Very high | 84.5 | Confident | 72 Ų | 72 | 98.1 Ų | 98.1 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.6 | -39 | 177.4 | 77.3 | 0 | 0 | 0 | 0 | 112.9 | A105 L106 G112 N113 | A105-S109 PolarHBondContact O-N 3.03Å; L106-S109 CarbonylContact O-C 3.59Å; L106-S109 PolarHBondContact O-N 2.91Å; L106-S109 PolarHBondContact O-OG 2.95Å; S109-G112 PolarHBondContact O-N 3.36Å; S109-N113 PolarHBondContact O-N 3.28Å |
| 110 | E | 93.3 | Very high | 86.9 | Confident | 111 Ų | 111 | 94.6 Ų | 94.6 | 52% | 0.519 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.1 | -42 | 176 | -176.8 | 171.2 | -158.3 | 0 | 0 | 111 | L106 G112 N113 L114 | L106-E110 WeakPolarHBondContact O-CB 3.21Å; L106-E110 PolarHBondContact O-N 2.89Å; E110-G112 VanDerWaalsContact C-N 3.32Å; E110-G112 PolarHBondContact O-N 2.82Å; E110-N113 CarbonylContact O-C 3.46Å; E110-N113 WeakPolarHBondContact O-CB 3.41Å; E110-N113 PolarHBondContact O-N 3.43Å; E110-N113 VanDerWaalsContact O-N 3.15Å; E110-L114 HydrophobicContact CG-CD1 4.17Å; E110-L114 HydrophobicContact CG-CG 4.45Å; E110-L114 WeakPolarHBondContact O-CB 3.43Å; E110-L114 VanDerWaalsContact O-CG 3.31Å; E110-L114 WeakPolarHBondContact O-CG 3.41Å; E110-L114 PolarHBondContact O-N 2.99Å |
| 111 | N | 92.9 | Very high | 89 | Confident | 86 Ų | 86 | 94 Ų | 94 | 46% | 0.46 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 174.9 | -165.5 | 8.4 | 0 | 0 | 0 | 111.3 | L107 L114 H115 | L107-N111 WeakPolarHBondContact O-CB 3.49Å; L107-N111 PolarHBondContact O-N 3.44Å; N111-L114 PolarHBondContact O-N 3.03Å; N111-H115 WeakPolarHBondContact O-CB 3.48Å; N111-H115 PolarHBondContact O-N 3.34Å; N111-H115 PolarHBondContact O-ND1 2.86Å; N111-H115 PolarHBondContact OD1-CE1 2.87Å; N111-H115 PolarHBondContact OD1-ND1 3.38Å |
| 112 | G | 95.1 | Very high | 90.8 | Very high | 41 Ų | 41 | 95.4 Ų | 95.4 | 42% | 0.423 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 170 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q108 S109 E110 H115 Q116 | Q108-G112 PolarHBondContact O-N 3.31Å; S109-G112 PolarHBondContact O-N 3.36Å; E110-G112 VanDerWaalsContact C-N 3.32Å; E110-G112 PolarHBondContact O-N 2.82Å; G112-H115 PolarHBondContact O-N 2.9Å; G112-Q116 PolarHBondContact O-N 3.45Å |
| 113 | N | 96.5 | Very high | 92.4 | Very high | 81 Ų | 81 | 94.8 Ų | 94.8 | 43% | 0.433 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 174.5 | -172.2 | -85 | 0 | 0 | 0 | 112 | S109 E110 Q116 R117 | S109-N113 PolarHBondContact O-N 3.28Å; E110-N113 CarbonylContact O-C 3.46Å; E110-N113 WeakPolarHBondContact O-CB 3.41Å; E110-N113 PolarHBondContact O-N 3.43Å; E110-N113 VanDerWaalsContact O-N 3.15Å; N113-Q116 PolarHBondContact O-N 2.93Å; N113-R117 WeakPolarHBondContact O-CG 3.47Å; N113-R117 PolarHBondContact O-N 3.4Å; N113-R117 VanDerWaalsContact OD1-CD 3.23Å; N113-R117 WeakPolarHBondContact OD1-CD 3.39Å |
| 114 | L | 96.9 | Very high | 93.5 | Very high | 78 Ų | 78 | 95 Ų | 95 | 41% | 0.408 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 176.6 | -72.4 | 171.2 | 0 | 0 | 0 | 111.2 | E110 N111 Q116 R117 V118 | E110-L114 HydrophobicContact CG-CD1 4.17Å; E110-L114 HydrophobicContact CG-CG 4.45Å; E110-L114 WeakPolarHBondContact O-CB 3.43Å; E110-L114 VanDerWaalsContact O-CG 3.31Å; E110-L114 WeakPolarHBondContact O-CG 3.41Å; E110-L114 PolarHBondContact O-N 2.99Å; N111-L114 PolarHBondContact O-N 3.03Å; L114-Q116 VanDerWaalsContact C-N 3.35Å; L114-Q116 PolarHBondContact O-N 2.89Å; L114-R117 PolarHBondContact O-N 2.86Å; L114-V118 WeakPolarHBondContact O-CB 3.48Å; L114-V118 WeakPolarHBondContact O-CG2 3.48Å; L114-V118 PolarHBondContact O-N 3.12Å |
| 115 | H | 97.3 | Very high | 94.6 | Very high | 110 Ų | 110 | 97.4 Ų | 97.4 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.3 | -43.6 | 172.9 | -82.7 | 78.1 | 0 | 0 | 0 | 112 | N111 G112 R117 V118 N119 | N111-H115 WeakPolarHBondContact O-CB 3.48Å; N111-H115 PolarHBondContact O-N 3.34Å; N111-H115 PolarHBondContact O-ND1 2.86Å; N111-H115 PolarHBondContact OD1-CE1 2.87Å; N111-H115 PolarHBondContact OD1-ND1 3.38Å; G112-H115 PolarHBondContact O-N 2.9Å; H115-R117 PolarHBondContact O-N 3.14Å; H115-V118 PolarHBondContact O-N 2.97Å; H115-N119 WeakPolarHBondContact O-CB 3.28Å; H115-N119 PolarHBondContact O-N 2.77Å; H115-N119 PolarHBondContact O-ND2 3.03Å |
| 116 | Q | 97.4 | Very high | 95.3 | Very high | 130 Ų | 130 | 98.9 Ų | 98.9 | 61% | 0.607 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.4 | -43.4 | 175 | -171.6 | -179.1 | 9.2 | 0 | 0 | 111.7 | G112 N113 L114 N119 V120 | G112-Q116 PolarHBondContact O-N 3.45Å; N113-Q116 PolarHBondContact O-N 2.93Å; L114-Q116 VanDerWaalsContact C-N 3.35Å; L114-Q116 PolarHBondContact O-N 2.89Å; Q116-N119 PolarHBondContact O-N 3.32Å; Q116-V120 WeakPolarHBondContact O-CG2 3.43Å; Q116-V120 PolarHBondContact O-N 2.9Å |
| 117 | R | 97.4 | Very high | 95.9 | Very high | 130 Ų | 130 | 98.6 Ų | 98.6 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 177.1 | -72.7 | 175.2 | 63.6 | -164.8 | -4.2 | 112.5 | N113 L114 H115 V120 L121 | N113-R117 WeakPolarHBondContact O-CG 3.47Å; N113-R117 PolarHBondContact O-N 3.4Å; N113-R117 VanDerWaalsContact OD1-CD 3.23Å; N113-R117 WeakPolarHBondContact OD1-CD 3.39Å; L114-R117 PolarHBondContact O-N 2.86Å; H115-R117 PolarHBondContact O-N 3.14Å; R117-V120 PolarHBondContact O-N 2.86Å; R117-L121 WeakPolarHBondContact O-CB 3.46Å; R117-L121 WeakPolarHBondContact O-CG 3.46Å; R117-L121 PolarHBondContact O-N 3.33Å |
| 118 | V | 97.9 | Very high | 96.3 | Very high | 82 Ų | 82 | 100.6 Ų | 100.6 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.2 | -48 | 173.5 | 167.9 | 0 | 0 | 0 | 0 | 110 | L114 H115 V120 L121 T122 | L114-V118 WeakPolarHBondContact O-CB 3.48Å; L114-V118 WeakPolarHBondContact O-CG2 3.48Å; L114-V118 PolarHBondContact O-N 3.12Å; H115-V118 PolarHBondContact O-N 2.97Å; V118-V120 VanDerWaalsContact C-N 3.34Å; V118-V120 PolarHBondContact O-N 3.35Å; V118-L121 PolarHBondContact O-N 2.63Å; V118-L121 VanDerWaalsContact O-N 3.17Å; V118-T122 WeakPolarHBondContact O-CB 3.34Å; V118-T122 PolarHBondContact O-N 3.22Å; V118-T122 PolarHBondContact O-OG1 3.44Å |
| 119 | N | 97.8 | Very high | 96.8 | Very high | 106 Ų | 106 | 99.4 Ų | 99.4 | 57% | 0.567 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.2 | -41.1 | 178.2 | -68.7 | -15.4 | 0 | 0 | 0 | 112.6 | H115 Q116 T122 H123 | H115-N119 WeakPolarHBondContact O-CB 3.28Å; H115-N119 PolarHBondContact O-N 2.77Å; H115-N119 PolarHBondContact O-ND2 3.03Å; Q116-N119 PolarHBondContact O-N 3.32Å; N119-T122 PolarHBondContact O-N 3.37Å; N119-H123 PolarHBondContact O-N 3.38Å |
| 120 | V | 98.1 | Very high | 97.2 | Very high | 88 Ų | 88 | 99.8 Ų | 99.8 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.6 | -47 | 174.5 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | Q116 R117 V118 T122 H123 E124 | Q116-V120 WeakPolarHBondContact O-CG2 3.43Å; Q116-V120 PolarHBondContact O-N 2.9Å; R117-V120 PolarHBondContact O-N 2.86Å; V118-V120 VanDerWaalsContact C-N 3.34Å; V118-V120 PolarHBondContact O-N 3.35Å; V120-T122 PolarHBondContact O-N 2.86Å; V120-H123 PolarHBondContact O-N 3.32Å; V120-E124 PolarHBondContact O-N 3.04Å |
| 121 | L | 98 | Very high | 97.4 | Very high | 104 Ų | 104 | 100.6 Ų | 100.6 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.4 | -37 | 178.3 | -71.7 | 171.7 | 0 | 0 | 0 | 112.4 | R117 V118 E124 L125 | R117-L121 WeakPolarHBondContact O-CB 3.46Å; R117-L121 WeakPolarHBondContact O-CG 3.46Å; R117-L121 PolarHBondContact O-N 3.33Å; V118-L121 PolarHBondContact O-N 2.63Å; V118-L121 VanDerWaalsContact O-N 3.17Å; L121-E124 PolarHBondContact O-N 2.95Å; L121-L125 VanDerWaalsContact O-CB 3.28Å; L121-L125 WeakPolarHBondContact O-CB 3.28Å; L121-L125 PolarHBondContact O-N 2.96Å |
| 122 | T | 97.4 | Very high | 97.6 | Very high | 86 Ų | 86 | 102.2 Ų | 102.2 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 173.8 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | V118 N119 V120 L125 Q126 | V118-T122 WeakPolarHBondContact O-CB 3.34Å; V118-T122 PolarHBondContact O-N 3.22Å; V118-T122 PolarHBondContact O-OG1 3.44Å; N119-T122 PolarHBondContact O-N 3.37Å; V120-T122 PolarHBondContact O-N 2.86Å; T122-L125 PolarHBondContact O-N 3.34Å; T122-Q126 PolarHBondContact O-N 3.4Å |
| 123 | H | 98.3 | Very high | 97.7 | Very high | 132 Ų | 132 | 105.8 Ų | 105.8 | 61% | 0.611 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.8 | -38.1 | 176.9 | -174.9 | 48.4 | 0 | 0 | 0 | 112.3 | N119 V120 Q126 K127 | N119-H123 PolarHBondContact O-N 3.38Å; V120-H123 PolarHBondContact O-N 3.32Å; H123-Q126 PolarHBondContact O-N 3.13Å; H123-K127 WeakPolarHBondContact O-CB 3.32Å; H123-K127 PolarHBondContact O-N 2.87Å |
| 124 | E | 98.1 | Very high | 97.8 | Very high | 75 Ų | 75 | 107.7 Ų | 107.7 | 35% | 0.35 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 174.5 | -162.4 | -170 | 147.4 | 0 | 0 | 111.8 | V120 L121 K127 R128 | V120-E124 PolarHBondContact O-N 3.04Å; L121-E124 PolarHBondContact O-N 2.95Å; E124-K127 PolarHBondContact O-N 3.29Å; E124-R128 WeakPolarHBondContact O-CG 3.39Å; E124-R128 PolarHBondContact O-N 3.45Å; E124-R128 IonicContact OE1-CZ 3.45Å; E124-R128 VanDerWaalsContact OE1-CZ 3.28Å; E124-R128 IonicContact OE1-NE 3.57Å; E124-R128 PolarHBondContact OE1-NE 3.43Å; E124-R128 IonicContact OE1-NH2 3.51Å; E124-R128 PolarHBondContact OE1-NH2 3.42Å |
| 125 | L | 98.1 | Very high | 97.9 | Very high | 119 Ų | 119 | 109 Ų | 109 | 62% | 0.623 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.3 | -44.2 | 175.3 | -173.1 | 153.7 | 0 | 0 | 0 | 111.3 | L121 T122 K127 R128 K129 | L121-L125 VanDerWaalsContact O-CB 3.28Å; L121-L125 WeakPolarHBondContact O-CB 3.28Å; L121-L125 PolarHBondContact O-N 2.96Å; T122-L125 PolarHBondContact O-N 3.34Å; L125-K127 PolarHBondContact O-N 2.93Å; L125-R128 WeakPolarHBondContact O-CB 3.4Å; L125-R128 PolarHBondContact O-N 2.87Å; L125-K129 PolarHBondContact O-N 3.21Å |
| 126 | Q | 98.3 | Very high | 97.9 | Very high | 85 Ų | 85 | 109.7 Ų | 109.7 | 40% | 0.397 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 174.3 | 177.7 | 55 | 34.6 | 0 | 0 | 111.5 | T122 H123 R128 K129 E130 | T122-Q126 PolarHBondContact O-N 3.4Å; H123-Q126 PolarHBondContact O-N 3.13Å; Q126-R128 VanDerWaalsContact C-N 3.31Å; Q126-R128 PolarHBondContact O-N 3.47Å; Q126-K129 WeakPolarHBondContact O-CB 3.35Å; Q126-K129 PolarHBondContact O-N 3.29Å; Q126-E130 WeakPolarHBondContact CG-OE1 3.5Å; Q126-E130 PolarHBondContact NE2-OE1 3.03Å; Q126-E130 WeakPolarHBondContact O-CG 3.42Å; Q126-E130 PolarHBondContact O-N 2.92Å |
| 127 | K | 98.4 | Very high | 98 | Very high | 103 Ų | 103 | 108.5 Ų | 108.5 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.4 | -29.8 | 175.4 | -174 | 173 | -174.9 | 172.2 | 0 | 113.5 | H123 E124 L125 R131 | H123-K127 WeakPolarHBondContact O-CB 3.32Å; H123-K127 PolarHBondContact O-N 2.87Å; E124-K127 PolarHBondContact O-N 3.29Å; L125-K127 PolarHBondContact O-N 2.93Å; K127-R131 WeakPolarHBondContact O-CD 3.46Å; K127-R131 WeakPolarHBondContact O-CG 3.47Å; K127-R131 PolarHBondContact O-N 2.95Å |
| 128 | R | 97.8 | Very high | 98 | Very high | 149 Ų | 149 | 105.7 Ų | 105.7 | 56% | 0.562 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.1 | -42.1 | 171.9 | -75.3 | 174.4 | -175.4 | -137.2 | 5.8 | 110.9 | E124 L125 Q126 E130 R131 E132 | E124-R128 WeakPolarHBondContact O-CG 3.39Å; E124-R128 PolarHBondContact O-N 3.45Å; E124-R128 IonicContact OE1-CZ 3.45Å; E124-R128 VanDerWaalsContact OE1-CZ 3.28Å; E124-R128 IonicContact OE1-NE 3.57Å; E124-R128 PolarHBondContact OE1-NE 3.43Å; E124-R128 IonicContact OE1-NH2 3.51Å; E124-R128 PolarHBondContact OE1-NH2 3.42Å; L125-R128 WeakPolarHBondContact O-CB 3.4Å; L125-R128 PolarHBondContact O-N 2.87Å; Q126-R128 VanDerWaalsContact C-N 3.31Å; Q126-R128 PolarHBondContact O-N 3.47Å; R128-E130 PolarHBondContact O-N 3.19Å; R128-R131 WeakPolarHBondContact O-CB 3.33Å; R128-R131 PolarHBondContact O-N 3.1Å; R128-R131 VanDerWaalsContact O-N 3.14Å; R128-E132 PolarHBondContact O-N 2.82Å |
| 129 | K | 98.4 | Very high | 98 | Very high | 119 Ų | 119 | 106.4 Ų | 106.4 | 52% | 0.517 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 176 | -170.4 | -175.1 | 175.5 | -169 | 0 | 112.5 | L125 Q126 R131 E132 E133 | L125-K129 PolarHBondContact O-N 3.21Å; Q126-K129 WeakPolarHBondContact O-CB 3.35Å; Q126-K129 PolarHBondContact O-N 3.29Å; K129-R131 VanDerWaalsContact C-N 3.26Å; K129-R131 PolarHBondContact O-N 2.96Å; K129-E132 WeakPolarHBondContact O-CB 3.36Å; K129-E132 PolarHBondContact O-N 3.48Å; K129-E132 VanDerWaalsContact O-N 3.12Å; K129-E133 PolarHBondContact O-N 3.23Å |
| 130 | E | 98.1 | Very high | 98.1 | Very high | 81 Ų | 81 | 107.7 Ų | 107.7 | 38% | 0.379 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.7 | -32.9 | 174.6 | -71.9 | 158.9 | -164.3 | 0 | 0 | 112.7 | Q126 R128 Q134 | Q126-E130 WeakPolarHBondContact CG-OE1 3.5Å; Q126-E130 PolarHBondContact NE2-OE1 3.03Å; Q126-E130 WeakPolarHBondContact O-CG 3.42Å; Q126-E130 PolarHBondContact O-N 2.92Å; R128-E130 PolarHBondContact O-N 3.19Å; E130-Q134 WeakPolarHBondContact O-CG 3.4Å; E130-Q134 PolarHBondContact O-N 2.92Å |
| 131 | R | 97.3 | Very high | 98.1 | Very high | 128 Ų | 128 | 105.8 Ų | 105.8 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -76.4 | -31 | 173.3 | -68.6 | 164.7 | 172.4 | 167.1 | -9.5 | 112.9 | K127 R128 K129 Q134 L135 | K127-R131 WeakPolarHBondContact O-CD 3.46Å; K127-R131 WeakPolarHBondContact O-CG 3.47Å; K127-R131 PolarHBondContact O-N 2.95Å; R128-R131 WeakPolarHBondContact O-CB 3.33Å; R128-R131 PolarHBondContact O-N 3.1Å; R128-R131 VanDerWaalsContact O-N 3.14Å; K129-R131 VanDerWaalsContact C-N 3.26Å; K129-R131 PolarHBondContact O-N 2.96Å; R131-Q134 PolarHBondContact O-N 3.1Å; R131-L135 VanDerWaalsContact O-CG 3.29Å; R131-L135 WeakPolarHBondContact O-CG 3.27Å; R131-L135 PolarHBondContact O-N 2.93Å |
| 132 | E | 97.1 | Very high | 98.1 | Very high | 119 Ų | 119 | 108.7 Ų | 108.7 | 56% | 0.556 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.1 | -47.1 | 175.5 | -170.3 | 169.4 | -153.9 | 0 | 0 | 109.8 | R128 K129 Q134 L135 E136 | R128-E132 PolarHBondContact O-N 2.82Å; K129-E132 WeakPolarHBondContact O-CB 3.36Å; K129-E132 PolarHBondContact O-N 3.48Å; K129-E132 VanDerWaalsContact O-N 3.12Å; E132-Q134 PolarHBondContact O-N 2.8Å; E132-L135 WeakPolarHBondContact O-CA 3.46Å; E132-L135 WeakPolarHBondContact O-CB 3.3Å; E132-L135 PolarHBondContact O-N 3.07Å; E132-E136 PolarHBondContact O-N 3.08Å |
| 133 | E | 97.7 | Very high | 98.1 | Very high | 116 Ų | 116 | 110.8 Ų | 110.8 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.4 | -44.5 | 171.6 | -172.2 | 171.7 | -174.4 | 0 | 0 | 111.9 | K129 L135 E136 D137 | K129-E133 PolarHBondContact O-N 3.23Å; E133-L135 VanDerWaalsContact C-N 3.28Å; E133-L135 PolarHBondContact O-N 3.14Å; E133-E136 WeakPolarHBondContact O-CB 3.34Å; E133-E136 PolarHBondContact O-N 3.2Å; E133-D137 PolarHBondContact O-N 3.14Å; E133-D137 VanDerWaalsContact O-N 3.1Å |
| 134 | Q | 98.1 | Very high | 98.1 | Very high | 121 Ų | 121 | 110.4 Ų | 110.4 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.6 | -30.3 | 173.4 | -73.6 | 166.2 | 8.8 | 0 | 0 | 113.8 | E130 R131 E132 V138 | E130-Q134 WeakPolarHBondContact O-CG 3.4Å; E130-Q134 PolarHBondContact O-N 2.92Å; R131-Q134 PolarHBondContact O-N 3.1Å; E132-Q134 PolarHBondContact O-N 2.8Å; Q134-V138 VanDerWaalsContact O-CG2 3.3Å; Q134-V138 WeakPolarHBondContact O-CG2 3.35Å; Q134-V138 PolarHBondContact O-N 3.46Å |
| 135 | L | 98.3 | Very high | 98.2 | Very high | 107 Ų | 107 | 111.6 Ų | 111.6 | 56% | 0.56 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -75.8 | -34.4 | 175.2 | -74.6 | 167.5 | 0 | 0 | 0 | 111.4 | R131 E132 E133 V138 I139 | R131-L135 VanDerWaalsContact O-CG 3.29Å; R131-L135 WeakPolarHBondContact O-CG 3.27Å; R131-L135 PolarHBondContact O-N 2.93Å; E132-L135 WeakPolarHBondContact O-CA 3.46Å; E132-L135 WeakPolarHBondContact O-CB 3.3Å; E132-L135 PolarHBondContact O-N 3.07Å; E133-L135 VanDerWaalsContact C-N 3.28Å; E133-L135 PolarHBondContact O-N 3.14Å; L135-V138 PolarHBondContact O-N 2.88Å; L135-I139 WeakPolarHBondContact O-CB 3.45Å; L135-I139 WeakPolarHBondContact O-CD1 3.48Å; L135-I139 WeakPolarHBondContact O-CG1 3.48Å; L135-I139 PolarHBondContact O-N 3.44Å |
| 136 | E | 98.2 | Very high | 98.2 | Very high | 124 Ų | 124 | 112.2 Ų | 112.2 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.3 | -45.1 | 172.6 | -68.1 | 177.1 | 170.9 | 0 | 0 | 111.3 | E132 E133 V138 I139 Q140 | E132-E136 PolarHBondContact O-N 3.08Å; E133-E136 WeakPolarHBondContact O-CB 3.34Å; E133-E136 PolarHBondContact O-N 3.2Å; E136-V138 VanDerWaalsContact C-N 3.35Å; E136-V138 PolarHBondContact O-N 3.01Å; E136-I139 PolarHBondContact O-N 2.86Å; E136-Q140 PolarHBondContact O-N 3.1Å |
| 137 | D | 98.5 | Very high | 98.2 | Very high | 105 Ų | 105 | 113.5 Ų | 113.5 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -57.5 | -45 | 173.1 | -77.4 | -22.4 | 0 | 0 | 0 | 112.2 | E133 Q140 A141 | E133-D137 PolarHBondContact O-N 3.14Å; E133-D137 VanDerWaalsContact O-N 3.1Å; D137-Q140 PolarHBondContact O-N 3.13Å; D137-A141 PolarHBondContact O-N 2.91Å |
| 138 | V | 98.3 | Very high | 98.2 | Very high | 70 Ų | 70 | 112.7 Ų | 112.7 | 42% | 0.424 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.1 | -41.7 | 178.8 | 168 | 0 | 0 | 0 | 0 | 111.3 | Q134 L135 E136 A141 Y142 | Q134-V138 VanDerWaalsContact O-CG2 3.3Å; Q134-V138 WeakPolarHBondContact O-CG2 3.35Å; Q134-V138 PolarHBondContact O-N 3.46Å; L135-V138 PolarHBondContact O-N 2.88Å; E136-V138 VanDerWaalsContact C-N 3.35Å; E136-V138 PolarHBondContact O-N 3.01Å; V138-A141 PolarHBondContact O-N 2.98Å; V138-Y142 HydrophobicContact CG1-CD2 3.74Å; V138-Y142 HydrophobicContact CG1-CE2 3.58Å; V138-Y142 WeakPolarHBondContact O-CD2 3.5Å; V138-Y142 PolarHBondContact O-N 3.05Å |
| 139 | I | 98.3 | Very high | 98.2 | Very high | 97 Ų | 97 | 112.5 Ų | 112.5 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 174.9 | -71.5 | 162.4 | 0 | 0 | 0 | 110.1 | L135 E136 A141 Y142 E143 | L135-I139 WeakPolarHBondContact O-CB 3.45Å; L135-I139 WeakPolarHBondContact O-CD1 3.48Å; L135-I139 WeakPolarHBondContact O-CG1 3.48Å; L135-I139 PolarHBondContact O-N 3.44Å; E136-I139 PolarHBondContact O-N 2.86Å; I139-A141 VanDerWaalsContact C-N 3.31Å; I139-A141 PolarHBondContact O-N 2.96Å; I139-Y142 WeakPolarHBondContact O-CB 3.31Å; I139-Y142 PolarHBondContact O-N 3.15Å; I139-Y142 VanDerWaalsContact O-N 3.13Å; I139-E143 WeakPolarHBondContact O-CG 3.33Å; I139-E143 PolarHBondContact O-N 3.33Å |
| 140 | Q | 98.6 | Very high | 98.2 | Very high | 134 Ų | 134 | 109.4 Ų | 109.4 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.4 | -38.5 | 177.6 | -174.1 | 177.4 | 78.5 | 0 | 0 | 112.2 | E136 D137 E143 K144 | E136-Q140 PolarHBondContact O-N 3.1Å; D137-Q140 PolarHBondContact O-N 3.13Å; Q140-E143 PolarHBondContact O-N 2.93Å; Q140-K144 WeakPolarHBondContact O-CB 3.5Å; Q140-K144 PolarHBondContact O-N 3.14Å |
| 141 | A | 98.2 | Very high | 98.2 | Very high | 47 Ų | 47 | 108.4 Ų | 108.4 | 39% | 0.388 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D137 V138 I139 K144 I145 | D137-A141 PolarHBondContact O-N 2.91Å; V138-A141 PolarHBondContact O-N 2.98Å; I139-A141 VanDerWaalsContact C-N 3.31Å; I139-A141 PolarHBondContact O-N 2.96Å; A141-K144 PolarHBondContact O-N 3.47Å; A141-I145 VanDerWaalsContact O-CG1 3.31Å; A141-I145 WeakPolarHBondContact O-CG1 3.49Å; A141-I145 PolarHBondContact O-N 3.4Å |
| 142 | Y | 98.3 | Very high | 98.3 | Very high | 166 Ų | 166 | 107.7 Ų | 107.7 | 65% | 0.651 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.2 | -42.4 | 174 | -84.7 | -67.1 | 0 | 0 | 0 | 112.7 | V138 I139 K144 I145 H146 | V138-Y142 HydrophobicContact CG1-CD2 3.74Å; V138-Y142 HydrophobicContact CG1-CE2 3.58Å; V138-Y142 WeakPolarHBondContact O-CD2 3.5Å; V138-Y142 PolarHBondContact O-N 3.05Å; I139-Y142 WeakPolarHBondContact O-CB 3.31Å; I139-Y142 PolarHBondContact O-N 3.15Å; I139-Y142 VanDerWaalsContact O-N 3.13Å; Y142-K144 PolarHBondContact O-N 3.01Å; Y142-I145 PolarHBondContact O-N 3.33Å; Y142-H146 WeakPolarHBondContact O-CB 3.42Å; Y142-H146 PolarHBondContact O-N 3.04Å |
| 143 | E | 98.5 | Very high | 98.4 | Very high | 129 Ų | 129 | 106.7 Ų | 106.7 | 60% | 0.603 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.9 | -43 | 175.4 | -71.3 | -176.2 | 159.8 | 0 | 0 | 111.9 | I139 Q140 H146 M147 | I139-E143 WeakPolarHBondContact O-CG 3.33Å; I139-E143 PolarHBondContact O-N 3.33Å; Q140-E143 PolarHBondContact O-N 2.93Å; E143-H146 PolarHBondContact O-N 3.42Å; E143-M147 PolarHBondContact O-N 3.05Å |
| 144 | K | 98.6 | Very high | 98.4 | Very high | 124 Ų | 124 | 106.5 Ų | 106.5 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 175.4 | -178.4 | 176.9 | 179.3 | -73.4 | 0 | 111.6 | Q140 A141 Y142 H146 M147 E148 | Q140-K144 WeakPolarHBondContact O-CB 3.5Å; Q140-K144 PolarHBondContact O-N 3.14Å; A141-K144 PolarHBondContact O-N 3.47Å; Y142-K144 PolarHBondContact O-N 3.01Å; K144-H146 VanDerWaalsContact C-N 3.29Å; K144-H146 PolarHBondContact O-N 3.26Å; K144-M147 WeakPolarHBondContact O-CB 3.48Å; K144-M147 PolarHBondContact O-N 3.15Å; K144-E148 VanDerWaalsContact CE-OE1 3.29Å; K144-E148 WeakPolarHBondContact CE-OE1 3.2Å; K144-E148 IonicContact NZ-OE1 2.7Å; K144-E148 PolarHBondContact NZ-OE1 3.38Å; K144-E148 IonicContact NZ-OE2 3.04Å; K144-E148 WeakPolarHBondContact O-CG 3.43Å; K144-E148 PolarHBondContact O-N 3.33Å |
| 145 | I | 98.4 | Very high | 98.4 | Very high | 101 Ų | 101 | 104 Ų | 104 | 52% | 0.518 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 177.8 | -69.1 | 165.6 | 0 | 0 | 0 | 110.8 | A141 Y142 E148 K149 | A141-I145 VanDerWaalsContact O-CG1 3.31Å; A141-I145 WeakPolarHBondContact O-CG1 3.49Å; A141-I145 PolarHBondContact O-N 3.4Å; Y142-I145 PolarHBondContact O-N 3.33Å; I145-E148 PolarHBondContact O-N 3.03Å; I145-K149 WeakPolarHBondContact O-CB 3.35Å; I145-K149 PolarHBondContact O-N 2.95Å |
| 146 | H | 98.5 | Very high | 98.4 | Very high | 131 Ų | 131 | 103.2 Ų | 103.2 | 61% | 0.606 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.4 | -40.4 | 176.7 | -173.2 | -89.2 | 0 | 0 | 0 | 112.2 | Y142 E143 K144 S150 | Y142-H146 WeakPolarHBondContact O-CB 3.42Å; Y142-H146 PolarHBondContact O-N 3.04Å; E143-H146 PolarHBondContact O-N 3.42Å; K144-H146 VanDerWaalsContact C-N 3.29Å; K144-H146 PolarHBondContact O-N 3.26Å; H146-S150 PolarHBondContact O-N 3.05Å |
| 147 | M | 98.5 | Very high | 98.5 | Very high | 112 Ų | 112 | 100.8 Ų | 100.8 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.7 | -44.2 | 174.7 | -169.9 | 60.5 | 62.5 | 0 | 0 | 112 | E143 K144 S150 N151 | E143-M147 PolarHBondContact O-N 3.05Å; K144-M147 WeakPolarHBondContact O-CB 3.48Å; K144-M147 PolarHBondContact O-N 3.15Å; M147-S150 PolarHBondContact O-N 3.28Å; M147-N151 PolarHBondContact O-N 2.78Å; M147-N151 PolarHBondContact O-ND2 3.1Å |
| 148 | E | 98.2 | Very high | 98.5 | Very high | 86 Ų | 86 | 101.5 Ų | 101.5 | 40% | 0.402 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 175.9 | -74.2 | 171.4 | -176.5 | 0 | 0 | 111.5 | K144 I145 S150 N151 L152 | K144-E148 VanDerWaalsContact CE-OE1 3.29Å; K144-E148 WeakPolarHBondContact CE-OE1 3.2Å; K144-E148 IonicContact NZ-OE1 2.7Å; K144-E148 PolarHBondContact NZ-OE1 3.38Å; K144-E148 IonicContact NZ-OE2 3.04Å; K144-E148 WeakPolarHBondContact O-CG 3.43Å; K144-E148 PolarHBondContact O-N 3.33Å; I145-E148 PolarHBondContact O-N 3.03Å; E148-S150 VanDerWaalsContact C-N 3.34Å; E148-S150 PolarHBondContact O-N 2.93Å; E148-N151 PolarHBondContact O-N 3.03Å; E148-L152 WeakPolarHBondContact O-CG 3.24Å; E148-L152 PolarHBondContact O-N 2.93Å |
| 149 | K | 98.3 | Very high | 98.5 | Very high | 145 Ų | 145 | 103.5 Ų | 103.5 | 63% | 0.63 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56.5 | -44.7 | 172.3 | -178 | -175.1 | 176.4 | -174.7 | 0 | 112 | I145 N151 L152 Q153 | I145-K149 WeakPolarHBondContact O-CB 3.35Å; I145-K149 PolarHBondContact O-N 2.95Å; K149-N151 VanDerWaalsContact C-N 3.33Å; K149-N151 PolarHBondContact O-N 3.25Å; K149-L152 PolarHBondContact O-N 2.83Å; K149-Q153 WeakPolarHBondContact O-CB 3.39Å; K149-Q153 PolarHBondContact O-N 3.23Å |
| 150 | S | 98.5 | Very high | 98.5 | Very high | 55 Ų | 55 | 102.3 Ų | 102.3 | 39% | 0.385 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -36.3 | 178.4 | -174.2 | 0 | 0 | 0 | 0 | 112.6 | H146 M147 E148 R154 | H146-S150 PolarHBondContact O-N 3.05Å; M147-S150 PolarHBondContact O-N 3.28Å; E148-S150 VanDerWaalsContact C-N 3.34Å; E148-S150 PolarHBondContact O-N 2.93Å; S150-R154 PolarHBondContact O-N 2.94Å |
| 151 | N | 98.6 | Very high | 98.5 | Very high | 60 Ų | 60 | 99.8 Ų | 99.8 | 32% | 0.321 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.1 | -47 | 175.6 | -68.8 | -31.5 | 0 | 0 | 0 | 111.7 | M147 E148 K149 Q153 R154 D155 | M147-N151 PolarHBondContact O-N 2.78Å; M147-N151 PolarHBondContact O-ND2 3.1Å; E148-N151 PolarHBondContact O-N 3.03Å; K149-N151 VanDerWaalsContact C-N 3.33Å; K149-N151 PolarHBondContact O-N 3.25Å; N151-Q153 VanDerWaalsContact C-N 3.33Å; N151-Q153 PolarHBondContact O-N 3.47Å; N151-R154 WeakPolarHBondContact O-CB 3.38Å; N151-R154 PolarHBondContact O-N 2.78Å; N151-R154 VanDerWaalsContact O-N 3.14Å; N151-R154 PolarHBondContact OD1-NH1 2.82Å; N151-R154 PolarHBondContact OD1-NH2 2.85Å; N151-R154 VanDerWaalsContact OD1-NH2 3.13Å; N151-D155 PolarHBondContact O-N 3.2Å |
| 152 | L | 98.6 | Very high | 98.5 | Very high | 113 Ų | 113 | 102 Ų | 102 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.5 | -40.6 | 176.1 | -71.4 | 174.1 | 0 | 0 | 0 | 112.2 | E148 K149 R154 D155 L156 | E148-L152 WeakPolarHBondContact O-CG 3.24Å; E148-L152 PolarHBondContact O-N 2.93Å; K149-L152 PolarHBondContact O-N 2.83Å; L152-R154 VanDerWaalsContact C-N 3.34Å; L152-R154 PolarHBondContact O-N 3.27Å; L152-D155 PolarHBondContact O-N 3.15Å; L152-L156 WeakPolarHBondContact O-CG 3.4Å; L152-L156 PolarHBondContact O-N 3.35Å |
| 153 | Q | 98.4 | Very high | 98.5 | Very high | 97 Ų | 97 | 98.5 Ų | 98.5 | 45% | 0.453 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.9 | -48.1 | 173.4 | -175.5 | 62.5 | 55.3 | 0 | 0 | 111 | K149 N151 D155 L156 D157 | K149-Q153 WeakPolarHBondContact O-CB 3.39Å; K149-Q153 PolarHBondContact O-N 3.23Å; N151-Q153 VanDerWaalsContact C-N 3.33Å; N151-Q153 PolarHBondContact O-N 3.47Å; Q153-D155 PolarHBondContact O-N 2.95Å; Q153-L156 WeakPolarHBondContact O-CB 3.18Å; Q153-L156 PolarHBondContact O-N 3.35Å; Q153-D157 PolarHBondContact NE2-OD1 3.1Å; Q153-D157 PolarHBondContact O-N 3.21Å |
| 154 | R | 98.7 | Very high | 98.5 | Very high | 113 Ų | 113 | 97.3 Ų | 97.3 | 43% | 0.426 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.9 | -32.1 | 179.4 | -161.3 | -172.7 | -51.6 | 111.6 | 9.9 | 112.7 | S150 N151 L152 K158 | S150-R154 PolarHBondContact O-N 2.94Å; N151-R154 WeakPolarHBondContact O-CB 3.38Å; N151-R154 PolarHBondContact O-N 2.78Å; N151-R154 VanDerWaalsContact O-N 3.14Å; N151-R154 PolarHBondContact OD1-NH1 2.82Å; N151-R154 PolarHBondContact OD1-NH2 2.85Å; N151-R154 VanDerWaalsContact OD1-NH2 3.13Å; L152-R154 VanDerWaalsContact C-N 3.34Å; L152-R154 PolarHBondContact O-N 3.27Å; R154-K158 VanDerWaalsContact O-CG 3.28Å; R154-K158 WeakPolarHBondContact O-CG 3.39Å; R154-K158 PolarHBondContact O-N 2.87Å |
| 155 | D | 98.6 | Very high | 98.6 | Very high | 69 Ų | 69 | 97.5 Ų | 97.5 | 37% | 0.369 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -80.1 | -35.6 | 177.4 | -68.3 | -25 | 0 | 0 | 0 | 112.3 | N151 L152 Q153 K158 M159 | N151-D155 PolarHBondContact O-N 3.2Å; L152-D155 PolarHBondContact O-N 3.15Å; Q153-D155 PolarHBondContact O-N 2.95Å; D155-K158 PolarHBondContact O-N 2.98Å; D155-K158 WeakPolarHBondContact OD1-CE 3.28Å; D155-K158 IonicContact OD1-NZ 2.61Å; D155-K158 PolarHBondContact OD1-NZ 3.23Å; D155-M159 WeakPolarHBondContact O-CG 3.29Å; D155-M159 PolarHBondContact O-N 3.42Å |
| 156 | L | 98.6 | Very high | 98.6 | Very high | 90 Ų | 90 | 97.4 Ų | 97.4 | 47% | 0.471 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 166.9 | -73.1 | 168.7 | 0 | 0 | 0 | 111.3 | L152 Q153 K158 M159 T160 | L152-L156 WeakPolarHBondContact O-CG 3.4Å; L152-L156 PolarHBondContact O-N 3.35Å; Q153-L156 WeakPolarHBondContact O-CB 3.18Å; Q153-L156 PolarHBondContact O-N 3.35Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 3.27Å; L156-M159 HydrophobicContact CD2-CE 3.92Å; L156-M159 PolarHBondContact O-N 3.22Å; L156-T160 WeakPolarHBondContact O-CB 3.45Å; L156-T160 PolarHBondContact O-N 3.47Å; L156-T160 PolarHBondContact O-OG1 2.97Å |
| 157 | D | 98.6 | Very high | 98.6 | Very high | 73 Ų | 73 | 94.6 Ų | 94.6 | 39% | 0.39 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 177.3 | -59.8 | -23.1 | 0 | 0 | 0 | 111 | Q153 T160 N161 | Q153-D157 PolarHBondContact NE2-OD1 3.1Å; Q153-D157 PolarHBondContact O-N 3.21Å; D157-T160 PolarHBondContact O-N 2.61Å; D157-N161 WeakPolarHBondContact O-CB 3.39Å; D157-N161 PolarHBondContact O-N 3.4Å; D157-N161 PolarHBondContact O-ND2 3.04Å |
| 158 | K | 98.7 | Very high | 98.6 | Very high | 120 Ų | 120 | 95.8 Ų | 95.8 | 52% | 0.522 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 175 | -71 | 167.4 | -162.5 | 166 | 0 | 112.3 | R154 D155 L156 N161 L162 | R154-K158 VanDerWaalsContact O-CG 3.28Å; R154-K158 WeakPolarHBondContact O-CG 3.39Å; R154-K158 PolarHBondContact O-N 2.87Å; D155-K158 PolarHBondContact O-N 2.98Å; D155-K158 WeakPolarHBondContact OD1-CE 3.28Å; D155-K158 IonicContact OD1-NZ 2.61Å; D155-K158 PolarHBondContact OD1-NZ 3.23Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 3.27Å; K158-N161 PolarHBondContact O-N 2.85Å; K158-L162 WeakPolarHBondContact O-CB 3.37Å; K158-L162 PolarHBondContact O-N 2.97Å |
| 159 | M | 98.6 | Very high | 98.6 | Very high | 112 Ų | 112 | 100.4 Ų | 100.4 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.4 | -41 | 179.3 | -71.8 | -171.5 | -62.5 | 0 | 0 | 111.3 | D155 L156 L162 V163 | D155-M159 WeakPolarHBondContact O-CG 3.29Å; D155-M159 PolarHBondContact O-N 3.42Å; L156-M159 HydrophobicContact CD2-CE 3.92Å; L156-M159 PolarHBondContact O-N 3.22Å; M159-L162 WeakPolarHBondContact O-CB 3.43Å; M159-L162 PolarHBondContact O-N 3.37Å; M159-L162 VanDerWaalsContact O-N 3.14Å; M159-V163 WeakPolarHBondContact O-CG2 3.44Å; M159-V163 PolarHBondContact O-N 3.23Å |
| 160 | T | 98.6 | Very high | 98.6 | Very high | 72 Ų | 72 | 97.8 Ų | 97.8 | 44% | 0.442 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.5 | -51 | 173.6 | -57.3 | 0 | 0 | 0 | 0 | 111 | L156 D157 L162 V163 E164 | L156-T160 WeakPolarHBondContact O-CB 3.45Å; L156-T160 PolarHBondContact O-N 3.47Å; L156-T160 PolarHBondContact O-OG1 2.97Å; D157-T160 PolarHBondContact O-N 2.61Å; T160-L162 PolarHBondContact O-N 2.83Å; T160-V163 PolarHBondContact O-N 3.23Å; T160-V163 VanDerWaalsContact O-N 3.14Å; T160-E164 WeakPolarHBondContact O-CG 3.35Å; T160-E164 PolarHBondContact O-N 3.38Å |
| 161 | N | 98.6 | Very high | 98.6 | Very high | 81 Ų | 81 | 100 Ų | 100 | 43% | 0.433 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.3 | -30.8 | 175.1 | -84.7 | -93.5 | 0 | 0 | 0 | 113.4 | D157 K158 K165 | D157-N161 WeakPolarHBondContact O-CB 3.39Å; D157-N161 PolarHBondContact O-N 3.4Å; D157-N161 PolarHBondContact O-ND2 3.04Å; K158-N161 PolarHBondContact O-N 2.85Å; N161-K165 WeakPolarHBondContact O-CD 3.48Å; N161-K165 VanDerWaalsContact O-CG 3.28Å; N161-K165 WeakPolarHBondContact O-CG 3.41Å; N161-K165 PolarHBondContact O-N 2.97Å |
| 162 | L | 98.8 | Very high | 98.6 | Very high | 94 Ų | 94 | 99.1 Ų | 99.1 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -76.6 | -41.9 | 177 | -177.7 | 61.7 | 0 | 0 | 0 | 111.4 | K158 M159 T160 K165 H166 | K158-L162 WeakPolarHBondContact O-CB 3.37Å; K158-L162 PolarHBondContact O-N 2.97Å; M159-L162 WeakPolarHBondContact O-CB 3.43Å; M159-L162 PolarHBondContact O-N 3.37Å; M159-L162 VanDerWaalsContact O-N 3.14Å; T160-L162 PolarHBondContact O-N 2.83Å; L162-K165 PolarHBondContact O-N 3.41Å; L162-H166 WeakPolarHBondContact CD1-NE2 3.42Å; L162-H166 PolarHBondContact O-CD2 3.02Å; L162-H166 PolarHBondContact O-N 3.47Å |
| 163 | V | 98.7 | Very high | 98.6 | Very high | 91 Ų | 91 | 98.5 Ų | 98.5 | 55% | 0.552 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.3 | -45.2 | 174.3 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | M159 T160 K165 H166 V167 | M159-V163 WeakPolarHBondContact O-CG2 3.44Å; M159-V163 PolarHBondContact O-N 3.23Å; T160-V163 PolarHBondContact O-N 3.23Å; T160-V163 VanDerWaalsContact O-N 3.14Å; V163-K165 PolarHBondContact O-N 2.94Å; V163-H166 PolarHBondContact O-N 3.26Å; V163-H166 VanDerWaalsContact O-N 3.12Å; V163-V167 HydrophobicContact CG1-CG2 4.37Å; V163-V167 WeakPolarHBondContact O-CG2 3.35Å; V163-V167 PolarHBondContact O-N 3.37Å |
| 164 | E | 98.5 | Very high | 98.6 | Very high | 104 Ų | 104 | 98.5 Ų | 98.5 | 49% | 0.486 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -54.9 | -50.7 | 175.2 | -73 | 170.5 | 165.9 | 0 | 0 | 111.4 | T160 H166 V167 E168 | T160-E164 WeakPolarHBondContact O-CG 3.35Å; T160-E164 PolarHBondContact O-N 3.38Å; E164-H166 VanDerWaalsContact C-N 3.3Å; E164-H166 PolarHBondContact O-N 2.94Å; E164-V167 PolarHBondContact O-N 3.45Å; E164-V167 VanDerWaalsContact O-N 3.14Å; E164-E168 WeakPolarHBondContact O-CG 3.44Å; E164-E168 PolarHBondContact O-N 3.19Å |
| 165 | K | 98.7 | Very high | 98.5 | Very high | 129 Ų | 129 | 96 Ų | 96 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.5 | -35 | 176.3 | -71.1 | 169 | -173.5 | 174.2 | 0 | 113.4 | N161 L162 V163 R169 | N161-K165 WeakPolarHBondContact O-CD 3.48Å; N161-K165 VanDerWaalsContact O-CG 3.28Å; N161-K165 WeakPolarHBondContact O-CG 3.41Å; N161-K165 PolarHBondContact O-N 2.97Å; L162-K165 PolarHBondContact O-N 3.41Å; V163-K165 PolarHBondContact O-N 2.94Å; K165-R169 WeakPolarHBondContact O-CB 3.39Å; K165-R169 PolarHBondContact O-N 2.88Å |
| 166 | H | 98.6 | Very high | 98.5 | Very high | 99 Ų | 99 | 95.1 Ų | 95.1 | 46% | 0.458 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.4 | -40.9 | 174.6 | -75.5 | -53 | 0 | 0 | 0 | 111.8 | L162 V163 E164 R169 I170 | L162-H166 WeakPolarHBondContact CD1-NE2 3.42Å; L162-H166 PolarHBondContact O-CD2 3.02Å; L162-H166 PolarHBondContact O-N 3.47Å; V163-H166 PolarHBondContact O-N 3.26Å; V163-H166 VanDerWaalsContact O-N 3.12Å; E164-H166 VanDerWaalsContact C-N 3.3Å; E164-H166 PolarHBondContact O-N 2.94Å; H166-R169 PolarHBondContact O-N 3.01Å; H166-I170 WeakPolarHBondContact O-CD1 3.43Å; H166-I170 VanDerWaalsContact O-CG1 3.25Å; H166-I170 WeakPolarHBondContact O-CG1 3.21Å; H166-I170 PolarHBondContact O-N 2.81Å |
| 167 | V | 98.7 | Very high | 98.5 | Very high | 72 Ų | 72 | 95.6 Ų | 95.6 | 44% | 0.436 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 174.6 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | V163 E164 R169 I170 L171 | V163-V167 HydrophobicContact CG1-CG2 4.37Å; V163-V167 WeakPolarHBondContact O-CG2 3.35Å; V163-V167 PolarHBondContact O-N 3.37Å; E164-V167 PolarHBondContact O-N 3.45Å; E164-V167 VanDerWaalsContact O-N 3.14Å; V167-R169 VanDerWaalsContact C-N 3.3Å; V167-R169 PolarHBondContact O-N 2.91Å; V167-I170 PolarHBondContact O-N 3.37Å; V167-I170 VanDerWaalsContact O-N 3.16Å; V167-L171 HydrophobicContact CG1-CD1 3.96Å; V167-L171 HydrophobicContact CG1-CG 4.37Å; V167-L171 WeakPolarHBondContact O-CG 3.3Å; V167-L171 PolarHBondContact O-N 2.71Å |
| 168 | E | 98.6 | Very high | 98.4 | Very high | 137 Ų | 137 | 100.8 Ų | 100.8 | 64% | 0.64 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -55.2 | -44.6 | 173.7 | -72.9 | 178.2 | 163.1 | 0 | 0 | 111.9 | E164 L171 G172 | E164-E168 WeakPolarHBondContact O-CG 3.44Å; E164-E168 PolarHBondContact O-N 3.19Å; E168-L171 PolarHBondContact O-N 3.34Å; E168-G172 PolarHBondContact O-N 3.37Å |
| 169 | R | 98.6 | Very high | 98.4 | Very high | 182 Ų | 182 | 100.9 Ų | 100.9 | 69% | 0.687 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.1 | -40.6 | 177.2 | -174.5 | 174.7 | -177.9 | 167.6 | 1 | 112.4 | K165 H166 V167 G172 L173 | K165-R169 WeakPolarHBondContact O-CB 3.39Å; K165-R169 PolarHBondContact O-N 2.88Å; H166-R169 PolarHBondContact O-N 3.01Å; V167-R169 VanDerWaalsContact C-N 3.3Å; V167-R169 PolarHBondContact O-N 2.91Å; R169-G172 PolarHBondContact O-N 2.95Å; R169-L173 HydrophobicContact CG-CD1 4.29Å; R169-L173 VanDerWaalsContact O-CG 3.31Å; R169-L173 WeakPolarHBondContact O-CG 3.46Å; R169-L173 PolarHBondContact O-N 2.78Å |
| 170 | I | 98.4 | Very high | 98.3 | Very high | 91 Ų | 91 | 102.7 Ų | 102.7 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -50.1 | 176.6 | -70.9 | 162.3 | 0 | 0 | 0 | 109.9 | H166 V167 G172 L173 E174 | H166-I170 WeakPolarHBondContact O-CD1 3.43Å; H166-I170 VanDerWaalsContact O-CG1 3.25Å; H166-I170 WeakPolarHBondContact O-CG1 3.21Å; H166-I170 PolarHBondContact O-N 2.81Å; V167-I170 PolarHBondContact O-N 3.37Å; V167-I170 VanDerWaalsContact O-N 3.16Å; I170-G172 VanDerWaalsContact C-N 3.27Å; I170-G172 PolarHBondContact O-N 3.06Å; I170-L173 PolarHBondContact O-N 3.39Å; I170-E174 HydrophobicContact CG2-CG 4.31Å; I170-E174 WeakPolarHBondContact O-CG 3.45Å; I170-E174 PolarHBondContact O-N 3.17Å |
| 171 | L | 98.3 | Very high | 98.3 | Very high | 100 Ų | 100 | 103.2 Ų | 103.2 | 52% | 0.524 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.6 | -38.3 | 177.1 | -67.7 | 171.6 | 0 | 0 | 0 | 112.2 | V167 E168 S175 | V167-L171 HydrophobicContact CG1-CD1 3.96Å; V167-L171 HydrophobicContact CG1-CG 4.37Å; V167-L171 WeakPolarHBondContact O-CG 3.3Å; V167-L171 PolarHBondContact O-N 2.71Å; E168-L171 PolarHBondContact O-N 3.34Å; L171-S175 WeakPolarHBondContact O-CB 3.45Å; L171-S175 PolarHBondContact O-N 3.2Å |
| 172 | G | 98.5 | Very high | 98.2 | Very high | 42 Ų | 42 | 104.1 Ų | 104.1 | 43% | 0.433 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E168 R169 I170 S175 A176 | E168-G172 PolarHBondContact O-N 3.37Å; R169-G172 PolarHBondContact O-N 2.95Å; I170-G172 VanDerWaalsContact C-N 3.27Å; I170-G172 PolarHBondContact O-N 3.06Å; G172-S175 PolarHBondContact O-N 3.04Å; G172-A176 PolarHBondContact O-N 3.23Å |
| 173 | L | 98.4 | Very high | 98.1 | Very high | 100 Ų | 100 | 102.9 Ų | 102.9 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.5 | -40.9 | 176.4 | -70.4 | 169.9 | 0 | 0 | 0 | 112.2 | R169 I170 S175 A176 L177 | R169-L173 HydrophobicContact CG-CD1 4.29Å; R169-L173 VanDerWaalsContact O-CG 3.31Å; R169-L173 WeakPolarHBondContact O-CG 3.46Å; R169-L173 PolarHBondContact O-N 2.78Å; I170-L173 PolarHBondContact O-N 3.39Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S175 PolarHBondContact O-N 3.2Å; L173-A176 PolarHBondContact O-N 2.98Å; L173-L177 WeakPolarHBondContact O-CG 3.2Å; L173-L177 PolarHBondContact O-N 2.81Å |
| 174 | E | 98.3 | Very high | 98.1 | Very high | 97 Ų | 97 | 102.5 Ų | 102.5 | 45% | 0.453 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 174.3 | -72.2 | 179.2 | 172.7 | 0 | 0 | 112 | I170 L177 R178 | I170-E174 HydrophobicContact CG2-CG 4.31Å; I170-E174 WeakPolarHBondContact O-CG 3.45Å; I170-E174 PolarHBondContact O-N 3.17Å; E174-L177 PolarHBondContact O-N 2.94Å; E174-R178 PolarHBondContact O-N 3.45Å |
| 175 | S | 98.1 | Very high | 98 | Very high | 62 Ų | 62 | 103.6 Ų | 103.6 | 43% | 0.434 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 173.8 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | L171 G172 L173 L177 R178 Q179 | L171-S175 WeakPolarHBondContact O-CB 3.45Å; L171-S175 PolarHBondContact O-N 3.2Å; G172-S175 PolarHBondContact O-N 3.04Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S175 PolarHBondContact O-N 3.2Å; S175-L177 PolarHBondContact O-N 2.8Å; S175-R178 PolarHBondContact O-N 2.98Å; S175-Q179 WeakPolarHBondContact O-CG 3.41Å; S175-Q179 PolarHBondContact O-N 3.46Å |
| 176 | A | 97.7 | Very high | 97.9 | Very high | 49 Ų | 49 | 103 Ų | 103 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G172 L173 Q179 R180 | G172-A176 PolarHBondContact O-N 3.23Å; L173-A176 PolarHBondContact O-N 2.98Å; A176-Q179 PolarHBondContact O-N 2.99Å; A176-R180 PolarHBondContact O-N 3.42Å |
| 177 | L | 98.1 | Very high | 97.8 | Very high | 100 Ų | 100 | 103.3 Ų | 103.3 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -47.1 | 173.5 | -73.8 | 172.4 | 0 | 0 | 0 | 111.3 | L173 E174 S175 Q179 R180 D181 | L173-L177 WeakPolarHBondContact O-CG 3.2Å; L173-L177 PolarHBondContact O-N 2.81Å; E174-L177 PolarHBondContact O-N 2.94Å; S175-L177 PolarHBondContact O-N 2.8Å; L177-Q179 PolarHBondContact O-N 3.24Å; L177-R180 WeakPolarHBondContact O-CA 3.08Å; L177-R180 VanDerWaalsContact O-CB 3.31Å; L177-R180 WeakPolarHBondContact O-CB 3.46Å; L177-R180 PolarHBondContact O-N 2.91Å; L177-R180 VanDerWaalsContact O-N 3.09Å; L177-D181 PolarHBondContact O-N 3.42Å |
| 178 | R | 97.8 | Very high | 97.6 | Very high | 183 Ų | 183 | 105 Ų | 105 | 69% | 0.691 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -56.8 | -45.5 | 175.1 | -81.2 | -179.3 | 142.8 | 145.6 | -2.6 | 112.8 | E174 S175 R180 D181 E182 | E174-R178 PolarHBondContact O-N 3.45Å; S175-R178 PolarHBondContact O-N 2.98Å; R178-R180 VanDerWaalsContact C-N 3.3Å; R178-R180 PolarHBondContact O-N 2.95Å; R178-D181 PolarHBondContact O-N 3.41Å; R178-E182 WeakPolarHBondContact O-CG 3.37Å; R178-E182 PolarHBondContact O-N 3.47Å |
| 179 | Q | 97.8 | Very high | 97.5 | Very high | 122 Ų | 122 | 103.6 Ų | 103.6 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.9 | -36 | 176.1 | -72 | -177.4 | -4.7 | 0 | 0 | 112.7 | S175 A176 L177 S183 | S175-Q179 WeakPolarHBondContact O-CG 3.41Å; S175-Q179 PolarHBondContact O-N 3.46Å; A176-Q179 PolarHBondContact O-N 2.99Å; L177-Q179 PolarHBondContact O-N 3.24Å; Q179-S183 WeakPolarHBondContact O-CB 3.47Å; Q179-S183 PolarHBondContact O-N 3.18Å; Q179-S183 VanDerWaalsContact O-N 3.11Å; Q179-S183 PolarHBondContact O-OG 3.4Å |
| 180 | R | 97.4 | Very high | 97.3 | Very high | 149 Ų | 149 | 100.7 Ų | 100.7 | 56% | 0.562 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.7 | -45.5 | 172.7 | -103.4 | -177.2 | 53.4 | 78.9 | 8.7 | 112 | A176 L177 R178 S183 L184 | A176-R180 PolarHBondContact O-N 3.42Å; L177-R180 WeakPolarHBondContact O-CA 3.08Å; L177-R180 VanDerWaalsContact O-CB 3.31Å; L177-R180 WeakPolarHBondContact O-CB 3.46Å; L177-R180 PolarHBondContact O-N 2.91Å; L177-R180 VanDerWaalsContact O-N 3.09Å; R178-R180 VanDerWaalsContact C-N 3.3Å; R178-R180 PolarHBondContact O-N 2.95Å; R180-S183 WeakPolarHBondContact O-CB 3.46Å; R180-S183 PolarHBondContact O-N 3.21Å; R180-S183 VanDerWaalsContact O-N 3.13Å; R180-L184 WeakPolarHBondContact O-CG 3.46Å; R180-L184 PolarHBondContact O-N 3.04Å |
| 181 | D | 97.8 | Very high | 97.1 | Very high | 83 Ų | 83 | 101.1 Ų | 101.1 | 44% | 0.444 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | -179.8 | -71 | -21.5 | 0 | 0 | 0 | 111.8 | L177 R178 S183 L184 Q185 | L177-D181 PolarHBondContact O-N 3.42Å; R178-D181 PolarHBondContact O-N 3.41Å; D181-S183 VanDerWaalsContact C-N 3.26Å; D181-S183 PolarHBondContact O-N 3.22Å; D181-L184 PolarHBondContact O-N 3.45Å; D181-Q185 WeakPolarHBondContact O-CB 3.42Å; D181-Q185 WeakPolarHBondContact O-CG 3.37Å; D181-Q185 PolarHBondContact O-N 2.89Å |
| 182 | E | 96.9 | Very high | 96.8 | Very high | 100 Ų | 100 | 101.3 Ų | 101.3 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.5 | -38.6 | 170.6 | -74 | -178.7 | -156.3 | 0 | 0 | 112.5 | R178 K186 | R178-E182 WeakPolarHBondContact O-CG 3.37Å; R178-E182 PolarHBondContact O-N 3.47Å; E182-K186 WeakPolarHBondContact O-CD 3.38Å; E182-K186 VanDerWaalsContact O-CG 3.24Å; E182-K186 WeakPolarHBondContact O-CG 3.48Å; E182-K186 PolarHBondContact O-N 3Å; E182-K186 IonicContact OE2-NZ 2.69Å |
| 183 | S | 97.1 | Very high | 96.5 | Very high | 69 Ų | 69 | 103.5 Ų | 103.5 | 48% | 0.483 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.9 | -39.6 | 178.9 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | Q179 R180 D181 K186 L187 | Q179-S183 WeakPolarHBondContact O-CB 3.47Å; Q179-S183 PolarHBondContact O-N 3.18Å; Q179-S183 VanDerWaalsContact O-N 3.11Å; Q179-S183 PolarHBondContact O-OG 3.4Å; R180-S183 WeakPolarHBondContact O-CB 3.46Å; R180-S183 PolarHBondContact O-N 3.21Å; R180-S183 VanDerWaalsContact O-N 3.13Å; D181-S183 VanDerWaalsContact C-N 3.26Å; D181-S183 PolarHBondContact O-N 3.22Å; S183-K186 PolarHBondContact O-N 3.14Å; S183-L187 PolarHBondContact O-N 2.83Å |
| 184 | L | 97.3 | Very high | 96.2 | Very high | 83 Ų | 83 | 105 Ų | 105 | 44% | 0.435 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 172.7 | -74.5 | 171.7 | 0 | 0 | 0 | 111.7 | R180 D181 L187 N188 | R180-L184 WeakPolarHBondContact O-CG 3.46Å; R180-L184 PolarHBondContact O-N 3.04Å; D181-L184 PolarHBondContact O-N 3.45Å; L184-L187 PolarHBondContact O-N 3.38Å; L184-N188 VanDerWaalsContact O-CB 3.28Å; L184-N188 WeakPolarHBondContact O-CB 3.33Å; L184-N188 PolarHBondContact O-N 3.48Å |
| 185 | Q | 96.4 | Very high | 95.8 | Very high | 127 Ų | 127 | 104.3 Ų | 104.3 | 59% | 0.593 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.5 | -45.3 | 174 | -74.1 | 177.2 | 11.1 | 0 | 0 | 111.5 | D181 L187 N188 I189 | D181-Q185 WeakPolarHBondContact O-CB 3.42Å; D181-Q185 WeakPolarHBondContact O-CG 3.37Å; D181-Q185 PolarHBondContact O-N 2.89Å; Q185-L187 PolarHBondContact O-N 3.04Å; Q185-N188 PolarHBondContact O-N 3.21Å; Q185-I189 VanDerWaalsContact O-CG1 3.3Å; Q185-I189 WeakPolarHBondContact O-CG1 3.42Å; Q185-I189 PolarHBondContact O-N 2.91Å |
| 186 | K | 96.8 | Very high | 95.2 | Very high | 117 Ų | 117 | 106 Ų | 106 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 174.9 | -71.6 | 160.5 | -168.5 | 158.1 | 0 | 111.6 | E182 S183 Q190 | E182-K186 WeakPolarHBondContact O-CD 3.38Å; E182-K186 VanDerWaalsContact O-CG 3.24Å; E182-K186 WeakPolarHBondContact O-CG 3.48Å; E182-K186 PolarHBondContact O-N 3Å; E182-K186 IonicContact OE2-NZ 2.69Å; S183-K186 PolarHBondContact O-N 3.14Å; K186-Q190 WeakPolarHBondContact O-CG 3.36Å; K186-Q190 PolarHBondContact O-N 2.65Å; K186-Q190 VanDerWaalsContact O-N 3.11Å |
| 187 | L | 96.2 | Very high | 94.6 | Very high | 105 Ų | 105 | 108.8 Ų | 108.8 | 55% | 0.55 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 177.3 | -171.9 | 71.3 | 0 | 0 | 0 | 112.3 | S183 L184 Q185 I189 Q190 L191 | S183-L187 PolarHBondContact O-N 2.83Å; L184-L187 PolarHBondContact O-N 3.38Å; Q185-L187 PolarHBondContact O-N 3.04Å; L187-I189 PolarHBondContact O-N 3.39Å; L187-Q190 WeakPolarHBondContact O-CB 3.4Å; L187-Q190 PolarHBondContact O-N 2.97Å; L187-Q190 VanDerWaalsContact O-N 3.15Å; L187-L191 PolarHBondContact O-N 2.87Å |
| 188 | N | 96.2 | Very high | 93.8 | Very high | 107 Ų | 107 | 110.9 Ų | 110.9 | 57% | 0.572 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.7 | -41.8 | 179.1 | -165.9 | 6.8 | 0 | 0 | 0 | 111.3 | L184 Q185 Q190 L191 H192 | L184-N188 VanDerWaalsContact O-CB 3.28Å; L184-N188 WeakPolarHBondContact O-CB 3.33Å; L184-N188 PolarHBondContact O-N 3.48Å; Q185-N188 PolarHBondContact O-N 3.21Å; N188-Q190 VanDerWaalsContact C-N 3.34Å; N188-Q190 PolarHBondContact O-N 3.46Å; N188-L191 PolarHBondContact O-N 3.06Å; N188-H192 WeakPolarHBondContact O-CB 3.45Å; N188-H192 PolarHBondContact O-N 3.4Å |
| 189 | I | 95.4 | Very high | 93 | Very high | 107 Ų | 107 | 107.6 Ų | 107.6 | 55% | 0.549 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 172.3 | -66.3 | 163.1 | 0 | 0 | 0 | 111.2 | Q185 L187 N193 | Q185-I189 VanDerWaalsContact O-CG1 3.3Å; Q185-I189 WeakPolarHBondContact O-CG1 3.42Å; Q185-I189 PolarHBondContact O-N 2.91Å; L187-I189 PolarHBondContact O-N 3.39Å; I189-N193 WeakPolarHBondContact O-CB 3.37Å; I189-N193 VanDerWaalsContact O-CG 3.24Å; I189-N193 PolarHBondContact O-N 3.46Å; I189-N193 PolarHBondContact O-ND2 3.43Å; I189-N193 VanDerWaalsContact O-ND2 3.1Å |
| 190 | Q | 94.5 | Very high | 92 | Very high | 122 Ų | 122 | 109.5 Ų | 109.5 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.3 | -42.6 | 175.7 | -72.9 | 176.2 | 9 | 0 | 0 | 112.5 | K186 L187 N188 N193 K194 | K186-Q190 WeakPolarHBondContact O-CG 3.36Å; K186-Q190 PolarHBondContact O-N 2.65Å; K186-Q190 VanDerWaalsContact O-N 3.11Å; L187-Q190 WeakPolarHBondContact O-CB 3.4Å; L187-Q190 PolarHBondContact O-N 2.97Å; L187-Q190 VanDerWaalsContact O-N 3.15Å; N188-Q190 VanDerWaalsContact C-N 3.34Å; N188-Q190 PolarHBondContact O-N 3.46Å; Q190-N193 PolarHBondContact O-N 2.99Å; Q190-K194 WeakPolarHBondContact O-CG 3.39Å; Q190-K194 PolarHBondContact O-N 3.45Å; Q190-K194 VanDerWaalsContact O-N 3.08Å |
| 191 | L | 94.3 | Very high | 90.7 | Very high | 100 Ų | 100 | 109.3 Ų | 109.3 | 52% | 0.524 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.3 | -48.3 | 176.9 | -175.9 | 64.4 | 0 | 0 | 0 | 110.8 | L187 N188 N193 K194 D195 | L187-L191 PolarHBondContact O-N 2.87Å; N188-L191 PolarHBondContact O-N 3.06Å; L191-N193 VanDerWaalsContact C-N 3.3Å; L191-N193 PolarHBondContact O-N 3.46Å; L191-K194 CarbonylContact O-C 3.54Å; L191-K194 WeakPolarHBondContact O-CA 3.47Å; L191-K194 WeakPolarHBondContact O-CB 3.35Å; L191-K194 PolarHBondContact O-N 3.44Å; L191-D195 PolarHBondContact O-N 3.37Å |
| 192 | H | 91.8 | Very high | 89 | Confident | 103 Ų | 103 | 111 Ų | 111 | 48% | 0.477 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.6 | -38.3 | 178.4 | -165.1 | 63.7 | 0 | 0 | 0 | 112.6 | N188 K194 D195 M196 | N188-H192 WeakPolarHBondContact O-CB 3.45Å; N188-H192 PolarHBondContact O-N 3.4Å; H192-K194 VanDerWaalsContact C-N 3.3Å; H192-K194 PolarHBondContact O-N 2.78Å; H192-D195 PolarHBondContact O-N 3.22Å; H192-M196 WeakPolarHBondContact O-CB 3.49Å; H192-M196 WeakPolarHBondContact O-CG 3.25Å; H192-M196 PolarHBondContact O-N 3.37Å |
| 193 | N | 91.9 | Very high | 87.1 | Confident | 89 Ų | 89 | 110.1 Ų | 110.1 | 48% | 0.476 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.7 | -33.4 | 171.9 | -74.7 | -32.2 | 0 | 0 | 0 | 112.7 | I189 Q190 L191 Q197 | I189-N193 WeakPolarHBondContact O-CB 3.37Å; I189-N193 VanDerWaalsContact O-CG 3.24Å; I189-N193 PolarHBondContact O-N 3.46Å; I189-N193 PolarHBondContact O-ND2 3.43Å; I189-N193 VanDerWaalsContact O-ND2 3.1Å; Q190-N193 PolarHBondContact O-N 2.99Å; L191-N193 VanDerWaalsContact C-N 3.3Å; L191-N193 PolarHBondContact O-N 3.46Å; N193-Q197 VanDerWaalsContact O-CG 3.27Å; N193-Q197 WeakPolarHBondContact O-CG 3.46Å; N193-Q197 PolarHBondContact O-N 2.96Å; N193-Q197 VanDerWaalsContact O-N 3.13Å |
| 194 | K | 91.9 | Very high | 85.3 | Confident | 130 Ų | 130 | 109.5 Ų | 109.5 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -74 | -40.7 | 175.3 | -73.9 | -70.9 | 175.3 | -166.1 | 0 | 112.4 | Q190 L191 H192 M196 Q197 Y198 | Q190-K194 WeakPolarHBondContact O-CG 3.39Å; Q190-K194 PolarHBondContact O-N 3.45Å; Q190-K194 VanDerWaalsContact O-N 3.08Å; L191-K194 CarbonylContact O-C 3.54Å; L191-K194 WeakPolarHBondContact O-CA 3.47Å; L191-K194 WeakPolarHBondContact O-CB 3.35Å; L191-K194 PolarHBondContact O-N 3.44Å; H192-K194 VanDerWaalsContact C-N 3.3Å; H192-K194 PolarHBondContact O-N 2.78Å; K194-M196 VanDerWaalsContact C-N 3.34Å; K194-M196 PolarHBondContact O-N 2.81Å; K194-Q197 WeakPolarHBondContact O-CB 3.41Å; K194-Q197 PolarHBondContact O-N 3.33Å; K194-Y198 WeakPolarHBondContact O-CB 3.28Å; K194-Y198 PolarHBondContact O-N 3.31Å |
| 195 | D | 89.6 | Confident | 83.5 | Confident | 84 Ų | 84 | 112 Ų | 112 | 45% | 0.449 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.6 | -42.4 | 175.1 | -66.4 | -24.6 | 0 | 0 | 0 | 111 | L191 H192 Q197 Y198 L199 | L191-D195 PolarHBondContact O-N 3.37Å; H192-D195 PolarHBondContact O-N 3.22Å; D195-Q197 PolarHBondContact O-N 2.73Å; D195-Y198 PolarHBondContact O-N 2.92Å; D195-L199 WeakPolarHBondContact O-CB 3.47Å; D195-L199 PolarHBondContact O-N 3.31Å |
| 196 | M | 86.4 | Confident | 81 | Confident | 97 Ų | 97 | 112.5 Ų | 112.5 | 48% | 0.478 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.7 | -41.4 | 173.5 | -71.5 | -66 | 153 | 0 | 0 | 112.2 | H192 K194 L199 Q200 | H192-M196 WeakPolarHBondContact O-CB 3.49Å; H192-M196 WeakPolarHBondContact O-CG 3.25Å; H192-M196 PolarHBondContact O-N 3.37Å; K194-M196 VanDerWaalsContact C-N 3.34Å; K194-M196 PolarHBondContact O-N 2.81Å; M196-L199 PolarHBondContact O-N 2.87Å; M196-Q200 VanDerWaalsContact O-CB 3.3Å; M196-Q200 WeakPolarHBondContact O-CB 3.3Å; M196-Q200 PolarHBondContact O-N 2.94Å |
| 197 | Q | 84.6 | Confident | 78.9 | Confident | 107 Ų | 107 | 116.4 Ų | 116.4 | 50% | 0.5 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.3 | -41.1 | 173.2 | -75.9 | 170.8 | 8.8 | 0 | 0 | 112.3 | N193 K194 D195 Q200 L201 | N193-Q197 VanDerWaalsContact O-CG 3.27Å; N193-Q197 WeakPolarHBondContact O-CG 3.46Å; N193-Q197 PolarHBondContact O-N 2.96Å; N193-Q197 VanDerWaalsContact O-N 3.13Å; K194-Q197 WeakPolarHBondContact O-CB 3.41Å; K194-Q197 PolarHBondContact O-N 3.33Å; D195-Q197 PolarHBondContact O-N 2.73Å; Q197-Q200 PolarHBondContact O-N 2.7Å; Q197-L201 WeakPolarHBondContact O-CG 3.49Å; Q197-L201 PolarHBondContact O-N 3Å |
| 198 | Y | 81.3 | Confident | 76.6 | Confident | 144 Ų | 144 | 118.5 Ų | 118.5 | 57% | 0.565 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65 | -46.2 | 177.3 | -177.4 | -96.4 | 0 | 0 | 0 | 111.6 | K194 D195 Q200 L201 H202 | K194-Y198 WeakPolarHBondContact O-CB 3.28Å; K194-Y198 PolarHBondContact O-N 3.31Å; D195-Y198 PolarHBondContact O-N 2.92Å; Y198-Q200 VanDerWaalsContact C-N 3.32Å; Y198-Q200 PolarHBondContact O-N 3.45Å; Y198-L201 PolarHBondContact O-N 3.36Å; Y198-L201 VanDerWaalsContact O-N 3.14Å; Y198-H202 AromaticContact CD2-CD2 3.73Å; Y198-H202 AromaticContact CE1-CD2 3.73Å; Y198-H202 AromaticContact CE2-CD2 3.31Å; Y198-H202 WeakPolarHBondContact CE2-CD2 3.34Å; Y198-H202 AromaticContact CE2-NE2 3.39Å; Y198-H202 WeakPolarHBondContact CE2-NE2 3.34Å; Y198-H202 AromaticContact CZ-CD2 3.3Å; Y198-H202 AromaticContact CZ-NE2 3.61Å; Y198-H202 PolarHBondContact O-N 3.36Å |
| 199 | L | 81.6 | Confident | 74.7 | Confident | 114 Ų | 114 | 121.5 Ų | 121.5 | 60% | 0.597 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.8 | -36.8 | 178.4 | -151.3 | 72.4 | 0 | 0 | 0 | 111.7 | D195 M196 L201 H202 A203 | D195-L199 WeakPolarHBondContact O-CB 3.47Å; D195-L199 PolarHBondContact O-N 3.31Å; M196-L199 PolarHBondContact O-N 2.87Å; L199-L201 VanDerWaalsContact C-N 3.29Å; L199-L201 PolarHBondContact O-N 2.95Å; L199-H202 PolarHBondContact O-N 2.69Å; L199-A203 WeakPolarHBondContact O-CB 3.45Å; L199-A203 PolarHBondContact O-N 3Å |
| 200 | Q | 75.9 | Confident | 72.8 | Confident | 162 Ų | 162 | 123.7 Ų | 123.7 | 76% | 0.757 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.9 | -32.3 | 174.4 | -159.6 | 77.3 | 64.9 | 0 | 0 | 112.7 | M196 Q197 Y198 | M196-Q200 VanDerWaalsContact O-CB 3.3Å; M196-Q200 WeakPolarHBondContact O-CB 3.3Å; M196-Q200 PolarHBondContact O-N 2.94Å; Q197-Q200 PolarHBondContact O-N 2.7Å; Y198-Q200 VanDerWaalsContact C-N 3.32Å; Y198-Q200 PolarHBondContact O-N 3.45Å |
| 201 | L | 71.3 | Confident | 70.5 | Confident | 145 Ų | 145 | 124.5 Ų | 124.5 | 76% | 0.759 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -82 | -25.7 | 177.1 | -71 | 168.3 | 0 | 0 | 0 | 113.2 | Q197 Y198 L199 | Q197-L201 WeakPolarHBondContact O-CG 3.49Å; Q197-L201 PolarHBondContact O-N 3Å; Y198-L201 PolarHBondContact O-N 3.36Å; Y198-L201 VanDerWaalsContact O-N 3.14Å; L199-L201 VanDerWaalsContact C-N 3.29Å; L199-L201 PolarHBondContact O-N 2.95Å |
| 202 | H | 61.2 | Low | 68.1 | Low | 120 Ų | 120 | 125.1 Ų | 125.1 | 56% | 0.556 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -105.8 | 7.3 | -177.8 | -76.5 | -69.7 | 0 | 0 | 0 | 115.1 | Y198 L199 G204 | Y198-H202 AromaticContact CD2-CD2 3.73Å; Y198-H202 AromaticContact CE1-CD2 3.73Å; Y198-H202 AromaticContact CE2-CD2 3.31Å; Y198-H202 WeakPolarHBondContact CE2-CD2 3.34Å; Y198-H202 AromaticContact CE2-NE2 3.39Å; Y198-H202 WeakPolarHBondContact CE2-NE2 3.34Å; Y198-H202 AromaticContact CZ-CD2 3.3Å; Y198-H202 AromaticContact CZ-NE2 3.61Å; Y198-H202 PolarHBondContact O-N 3.36Å; L199-H202 PolarHBondContact O-N 2.69Å; H202-G204 PolarHBondContact O-N 2.81Å |
| 203 | A | 58.2 | Low | 66 | Low | 81 Ų | 81 | 125.6 Ų | 125.6 | 67% | 0.669 | 67% | 0.666 | S | S | * | * | trans | -72.7 | 29.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L199 | L199-A203 WeakPolarHBondContact O-CB 3.45Å; L199-A203 PolarHBondContact O-N 3Å | ||
| 204 | G | 59.2 | Low | 63.8 | Low | 55 Ų | 55 | 125.9 Ų | 125.9 | 57% | 0.567 | 68% | 0.681 | S | S | * | * | trans | -87.5 | 135.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | H202 D206 | H202-G204 PolarHBondContact O-N 2.81Å; G204-D206 PolarHBondContact O-N 2.73Å | ||
| 205 | P | 58.6 | Low | 61.8 | Low | 137 Ų | 137 | 127.3 Ų | 127.3 | 89% | 0.89 | 69% | 0.694 | S | S | * | * | trans | -82.2 | 84.7 | -177.8 | 33.6 | -34.3 | 0 | 0 | 0 | 110.6 | ||||
| 206 | D | 45 | Very low | 59.9 | Low | 136 Ų | 136 | 129 Ų | 129 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | trans | -133.7 | 129.1 | 168.2 | -135.5 | -23.6 | 0 | 0 | 0 | 114.3 | G204 H208 | G204-D206 PolarHBondContact O-N 2.73Å; D206-H208 PolarHBondContact O-N 3.01Å; D206-H208 IonicContact OD1-CD2 3.28Å | ||
| 207 | K | 52.6 | Low | 58.2 | Low | 199 Ų | 199 | 130.9 Ų | 130.9 | 87% | 0.865 | 72% | 0.719 | S | S | * | * | trans | -89.3 | 77.4 | -173.8 | -81 | -179.9 | 171.8 | 177 | 0 | 110.3 | ||||
| 208 | H | 48.1 | Very low | 56.4 | Low | 149 Ų | 149 | 134.3 Ų | 134.3 | 69% | 0.69 | 74% | 0.735 | S | S | * | * | trans | -114.3 | 86 | 166.3 | -75.4 | -72.4 | 0 | 0 | 0 | 111.2 | D206 L210 | D206-H208 PolarHBondContact O-N 3.01Å; D206-H208 IonicContact OD1-CD2 3.28Å; H208-L210 VanDerWaalsContact C-N 3.25Å; H208-L210 PolarHBondContact O-N 3.48Å | ||
| 209 | M | 55.3 | Low | 54.9 | Low | 171 Ų | 171 | 130 Ų | 130 | 84% | 0.842 | 73% | 0.726 | S | S | * | * | trans | -61.5 | 90.8 | 160.5 | -173.4 | -174.1 | 83.2 | 0 | 0 | 107.7 | D211 | M209-D211 PolarHBondContact O-N 3.03Š| ||
| 210 | L | 55.4 | Low | 53.5 | Low | 152 Ų | 152 | 127.5 Ų | 127.5 | 80% | 0.796 | 72% | 0.718 | S | S | * | * | trans | -73.8 | 110.3 | 175.3 | -86.3 | 155.8 | 0 | 0 | 0 | 108.6 | H208 C212 | H208-L210 VanDerWaalsContact C-N 3.25Å; H208-L210 PolarHBondContact O-N 3.48Å; L210-C212 PolarHBondContact O-N 3.09Å | ||
| 211 | D | 45.9 | Very low | 52.6 | Low | 140 Ų | 140 | 130.2 Ų | 130.2 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | trans | -53 | 110.4 | 162.8 | -96.4 | -34.7 | 0 | 0 | 0 | 108.7 | M209 P213 | M209-D211 PolarHBondContact O-N 3.03Å; D211-P213 WeakPolarHBondContact O-CD 3.4Å | ||
| 212 | C | 44.6 | Very low | 51.9 | Low | 112 Ų | 112 | 126 Ų | 126 | 76% | 0.757 | 70% | 0.703 | S | S | * | * | trans | -68.6 | 121.5 | 160.9 | -69.8 | 0 | 0 | 0 | 0 | 107.2 | L210 A214 | L210-C212 PolarHBondContact O-N 3.09Å; C212-A214 PolarHBondContact O-N 3.35Å; C212-A214 VanDerWaalsContact O-N 3.09Å | ||
| 213 | P | 47.2 | Very low | 51.8 | Low | 113 Ų | 113 | 125.2 Ų | 125.2 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | trans | -57.7 | 122.4 | 172.4 | -20.6 | 32.3 | 0 | 0 | 0 | 108.3 | D211 L215 | D211-P213 WeakPolarHBondContact O-CD 3.4Å; P213-L215 VanDerWaalsContact C-N 3.27Å; P213-L215 PolarHBondContact O-N 3.04Å | ||
| 214 | A | 45.5 | Very low | 52.4 | Low | 95 Ų | 95 | 125.7 Ų | 125.7 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | trans | -65.6 | 88.4 | 178 | 0 | 0 | 0 | 0 | 0 | 109.6 | C212 T216 | C212-A214 PolarHBondContact O-N 3.35Å; C212-A214 VanDerWaalsContact O-N 3.09Å; A214-T216 PolarHBondContact O-N 3.46Å | ||
| 215 | L | 51 | Low | 53.1 | Low | 160 Ų | 160 | 126.6 Ų | 126.6 | 84% | 0.838 | 69% | 0.689 | S | S | * | * | trans | -58.7 | 113.4 | 164.3 | -69.3 | -177.9 | 0 | 0 | 0 | 106.5 | P213 L217 | P213-L215 VanDerWaalsContact C-N 3.27Å; P213-L215 PolarHBondContact O-N 3.04Å; L215-L217 PolarHBondContact O-N 3.34Å | ||
| 216 | T | 48.2 | Very low | 53.8 | Low | 119 Ų | 119 | 125.5 Ų | 125.5 | 73% | 0.73 | 68% | 0.675 | S | S | * | * | trans | -56.7 | 106.7 | -165.5 | 48.1 | 0 | 0 | 0 | 0 | 111.5 | A214 Q218 | A214-T216 PolarHBondContact O-N 3.46Å; T216-Q218 PolarHBondContact O-N 3.06Å | ||
| 217 | L | 52.2 | Low | 55.5 | Low | 138 Ų | 138 | 121.9 Ų | 121.9 | 72% | 0.723 | 66% | 0.66 | S | S | * | * | trans | -68.3 | 72 | 165.2 | -76.8 | 169.9 | 0 | 0 | 0 | 109.8 | L215 S219 | L215-L217 PolarHBondContact O-N 3.34Å; L217-S219 PolarHBondContact O-N 3.17Å | ||
| 218 | Q | 46.6 | Very low | 57.1 | Low | 178 Ų | 178 | 117 Ų | 117 | 83% | 0.832 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -3.5 | 160.9 | -67.6 | -156.5 | -19.2 | 0 | 0 | 111.9 | T216 | T216-Q218 PolarHBondContact O-N 3.06Š|
| 219 | S | 48.7 | Very low | 59.1 | Low | 54 Ų | 54 | 114.9 Ų | 114.9 | 38% | 0.378 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.8 | 7.9 | -176 | -169.1 | 0 | 0 | 0 | 0 | 115.3 | L217 S222 L223 | L217-S219 PolarHBondContact O-N 3.17Å; S219-S222 PolarHBondContact O-OG 2.98Å; S219-S222 VanDerWaalsContact O-OG 3.1Å; S219-S222 PolarHBondContact OG-OG 3.43Å; S219-S222 VanDerWaalsContact OG-OG 3.09Å; S219-L223 PolarHBondContact O-N 2.9Å |
| 220 | S | 53.4 | Low | 60.8 | Low | 62 Ų | 62 | 112.5 Ų | 112.5 | 43% | 0.434 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.6 | -47.7 | 179.3 | -44.5 | 0 | 0 | 0 | 0 | 111.4 | S222 L223 D224 | S220-S222 VanDerWaalsContact C-N 3.27Å; S220-S222 PolarHBondContact O-N 2.78Å; S220-L223 PolarHBondContact O-N 3.23Å; S220-D224 VanDerWaalsContact O-CG 3.25Å; S220-D224 PolarHBondContact O-N 3.42Å; S220-D224 VanDerWaalsContact O-N 3.08Å |
| 221 | R | 55.8 | Low | 62.5 | Low | 219 Ų | 219 | 109.8 Ų | 109.8 | 83% | 0.826 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.1 | -24.8 | -177.9 | -68.8 | -172 | 175.9 | -156.7 | -2.3 | 114.6 | T225 | R221-T225 WeakPolarHBondContact O-CG2 3.22Å; R221-T225 PolarHBondContact O-OG1 2.92Å |
| 222 | S | 57.1 | Low | 64.7 | Low | 55 Ų | 55 | 109 Ų | 109 | 39% | 0.385 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -88.5 | -30.4 | 178.6 | 51.1 | 0 | 0 | 0 | 0 | 112.8 | S219 S220 T225 L226 | S219-S222 PolarHBondContact O-OG 2.98Å; S219-S222 VanDerWaalsContact O-OG 3.1Å; S219-S222 PolarHBondContact OG-OG 3.43Å; S219-S222 VanDerWaalsContact OG-OG 3.09Å; S220-S222 VanDerWaalsContact C-N 3.27Å; S220-S222 PolarHBondContact O-N 2.78Å; S222-T225 WeakPolarHBondContact CA-OG1 3.27Å; S222-T225 PolarHBondContact O-OG1 3.49Å; S222-L226 WeakPolarHBondContact O-CG 3.49Å; S222-L226 PolarHBondContact O-N 3.06Å |
| 223 | L | 59.8 | Low | 67.1 | Low | 104 Ų | 104 | 112.8 Ų | 112.8 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.4 | -45.6 | 170.9 | -88.7 | 161 | 0 | 0 | 0 | 110.9 | S219 S220 T225 L226 S227 | S219-L223 PolarHBondContact O-N 2.9Å; S220-L223 PolarHBondContact O-N 3.23Å; L223-T225 VanDerWaalsContact C-N 3.34Å; L223-T225 PolarHBondContact O-N 3.26Å; L223-L226 PolarHBondContact O-N 3.43Å; L223-S227 PolarHBondContact O-N 3Å; L223-S227 PolarHBondContact O-OG 3.42Å |
| 224 | D | 70.3 | Confident | 69.3 | Low | 92 Ų | 92 | 112 Ų | 112 | 49% | 0.492 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -55.3 | -47.9 | 176.7 | -63.8 | -24.2 | 0 | 0 | 0 | 111 | S220 L226 S227 D228 | S220-D224 VanDerWaalsContact O-CG 3.25Å; S220-D224 PolarHBondContact O-N 3.42Å; S220-D224 VanDerWaalsContact O-N 3.08Å; D224-L226 VanDerWaalsContact C-N 3.28Å; D224-L226 PolarHBondContact O-N 3.12Å; D224-S227 WeakPolarHBondContact CA-OG 3.24Å; D224-S227 PolarHBondContact O-N 3.36Å; D224-S227 PolarHBondContact O-OG 2.87Å; D224-D228 PolarHBondContact O-N 2.98Å |
| 225 | T | 73.3 | Confident | 71.6 | Confident | 74 Ų | 74 | 113 Ų | 113 | 45% | 0.454 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.6 | -28.5 | 176.9 | 52.5 | 0 | 0 | 0 | 0 | 114.2 | R221 S222 L223 L229 | R221-T225 WeakPolarHBondContact O-CG2 3.22Å; R221-T225 PolarHBondContact O-OG1 2.92Å; S222-T225 WeakPolarHBondContact CA-OG1 3.27Å; S222-T225 PolarHBondContact O-OG1 3.49Å; L223-T225 VanDerWaalsContact C-N 3.34Å; L223-T225 PolarHBondContact O-N 3.26Å; T225-L229 WeakPolarHBondContact O-CB 3.31Å; T225-L229 WeakPolarHBondContact O-CD1 3.44Å; T225-L229 VanDerWaalsContact O-CG 3.25Å; T225-L229 WeakPolarHBondContact O-CG 3.49Å; T225-L229 PolarHBondContact O-N 3.19Å; T225-L229 VanDerWaalsContact O-N 3.11Å |
| 226 | L | 75.1 | Confident | 73.6 | Confident | 113 Ų | 113 | 108.5 Ų | 108.5 | 59% | 0.592 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -79.1 | -34 | 176.1 | -75.7 | 170.6 | 0 | 0 | 0 | 112 | S222 L223 D224 K230 | S222-L226 WeakPolarHBondContact O-CG 3.49Å; S222-L226 PolarHBondContact O-N 3.06Å; L223-L226 PolarHBondContact O-N 3.43Å; D224-L226 VanDerWaalsContact C-N 3.28Å; D224-L226 PolarHBondContact O-N 3.12Å; L226-K230 WeakPolarHBondContact O-CB 3.18Å; L226-K230 PolarHBondContact O-N 2.92Å; L226-K230 VanDerWaalsContact O-N 3.07Å |
| 227 | S | 79.8 | Confident | 75.9 | Confident | 60 Ų | 60 | 108.7 Ų | 108.7 | 42% | 0.42 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.7 | -40.7 | 169.1 | 39.1 | 0 | 0 | 0 | 0 | 112 | L223 D224 K230 L231 | L223-S227 PolarHBondContact O-N 3Å; L223-S227 PolarHBondContact O-OG 3.42Å; D224-S227 WeakPolarHBondContact CA-OG 3.24Å; D224-S227 PolarHBondContact O-N 3.36Å; D224-S227 PolarHBondContact O-OG 2.87Å; S227-K230 PolarHBondContact O-N 2.87Å; S227-L231 WeakPolarHBondContact O-CB 3.42Å; S227-L231 PolarHBondContact O-N 2.93Å |
| 228 | D | 86.6 | Confident | 77.9 | Confident | 97 Ų | 97 | 106.5 Ų | 106.5 | 52% | 0.519 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 178.1 | -67.5 | -15.8 | 0 | 0 | 0 | 111.1 | D224 K230 L231 Q232 | D224-D228 PolarHBondContact O-N 2.98Å; D228-K230 VanDerWaalsContact C-N 3.32Å; D228-K230 PolarHBondContact O-N 2.96Å; D228-L231 PolarHBondContact O-N 3.35Å; D228-Q232 WeakPolarHBondContact O-CB 3.29Å; D228-Q232 PolarHBondContact O-N 3Å |
| 229 | L | 90.2 | Very high | 80.3 | Confident | 104 Ų | 104 | 102.4 Ų | 102.4 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.6 | -35.3 | 174.8 | -73.6 | 170.1 | 0 | 0 | 0 | 112.7 | T225 R233 | T225-L229 WeakPolarHBondContact O-CB 3.31Å; T225-L229 WeakPolarHBondContact O-CD1 3.44Å; T225-L229 VanDerWaalsContact O-CG 3.25Å; T225-L229 WeakPolarHBondContact O-CG 3.49Å; T225-L229 PolarHBondContact O-N 3.19Å; T225-L229 VanDerWaalsContact O-N 3.11Å; L229-R233 WeakPolarHBondContact O-CB 3.46Å; L229-R233 PolarHBondContact O-N 3.37Å |
| 230 | K | 91.3 | Very high | 82.5 | Confident | 121 Ų | 121 | 101.6 Ų | 101.6 | 53% | 0.526 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.1 | -39.6 | 175.5 | -173.8 | 177.7 | -179.7 | -178.8 | 0 | 111.7 | L226 S227 D228 R233 L234 | L226-K230 WeakPolarHBondContact O-CB 3.18Å; L226-K230 PolarHBondContact O-N 2.92Å; L226-K230 VanDerWaalsContact O-N 3.07Å; S227-K230 PolarHBondContact O-N 2.87Å; D228-K230 VanDerWaalsContact C-N 3.32Å; D228-K230 PolarHBondContact O-N 2.96Å; K230-R233 PolarHBondContact O-N 2.98Å; K230-L234 HydrophobicContact CG-CD1 4.42Å; K230-L234 WeakPolarHBondContact O-CG 3.47Å; K230-L234 PolarHBondContact O-N 3.46Å |
| 231 | L | 89.8 | Confident | 84.5 | Confident | 96 Ų | 96 | 101.2 Ų | 101.2 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.8 | -48.4 | 175.8 | -176.4 | 138.7 | 0 | 0 | 0 | 110.4 | S227 D228 R233 L234 E235 | S227-L231 WeakPolarHBondContact O-CB 3.42Å; S227-L231 PolarHBondContact O-N 2.93Å; D228-L231 PolarHBondContact O-N 3.35Å; L231-R233 VanDerWaalsContact C-N 3.26Å; L231-R233 PolarHBondContact O-N 3.08Å; L231-L234 CarbonylContact O-C 3.59Å; L231-L234 PolarHBondContact O-N 3.45Å; L231-E235 VanDerWaalsContact CD2-CD 3.47Å; L231-E235 HydrophobicContact CD2-CG 4.23Å; L231-E235 WeakPolarHBondContact CD2-OE1 3.38Å; L231-E235 WeakPolarHBondContact O-CG 3.47Å; L231-E235 PolarHBondContact O-N 2.71Å |
| 232 | Q | 92.7 | Very high | 86.4 | Confident | 122 Ų | 122 | 98 Ų | 98 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.3 | -34.8 | 175.4 | -168.5 | 178.6 | 16.4 | 0 | 0 | 112.5 | D228 A236 | D228-Q232 WeakPolarHBondContact O-CB 3.29Å; D228-Q232 PolarHBondContact O-N 3Å; Q232-A236 WeakPolarHBondContact O-CB 3.3Å; Q232-A236 PolarHBondContact O-N 2.91Å |
| 233 | R | 94.1 | Very high | 88.3 | Confident | 192 Ų | 192 | 101.2 Ų | 101.2 | 73% | 0.725 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.6 | -43.3 | 173.6 | -167 | 179.4 | -160.9 | -123.8 | 6.5 | 112.2 | L229 K230 L231 A236 E237 | L229-R233 WeakPolarHBondContact O-CB 3.46Å; L229-R233 PolarHBondContact O-N 3.37Å; K230-R233 PolarHBondContact O-N 2.98Å; L231-R233 VanDerWaalsContact C-N 3.26Å; L231-R233 PolarHBondContact O-N 3.08Å; R233-A236 PolarHBondContact O-N 3.02Å; R233-E237 WeakPolarHBondContact O-CB 3.28Å; R233-E237 PolarHBondContact O-N 3.38Å |
| 234 | L | 94.7 | Very high | 90 | Very high | 97 Ų | 97 | 103 Ų | 103 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.1 | -35.1 | 177.2 | -72.2 | 169 | 0 | 0 | 0 | 112.2 | K230 L231 E237 L238 | K230-L234 HydrophobicContact CG-CD1 4.42Å; K230-L234 WeakPolarHBondContact O-CG 3.47Å; K230-L234 PolarHBondContact O-N 3.46Å; L231-L234 CarbonylContact O-C 3.59Å; L231-L234 PolarHBondContact O-N 3.45Å; L234-E237 PolarHBondContact O-N 3.46Å; L234-L238 VanDerWaalsContact O-CB 3.23Å; L234-L238 WeakPolarHBondContact O-CB 3.33Å; L234-L238 PolarHBondContact O-N 3.32Å |
| 235 | E | 92.9 | Very high | 91.2 | Very high | 116 Ų | 116 | 101.1 Ų | 101.1 | 54% | 0.542 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 171.6 | -73.5 | 179.4 | 152.2 | 0 | 0 | 111 | L231 E237 L238 E239 | L231-E235 VanDerWaalsContact CD2-CD 3.47Å; L231-E235 HydrophobicContact CD2-CG 4.23Å; L231-E235 WeakPolarHBondContact CD2-OE1 3.38Å; L231-E235 WeakPolarHBondContact O-CG 3.47Å; L231-E235 PolarHBondContact O-N 2.71Å; E235-E237 VanDerWaalsContact C-N 3.33Å; E235-E237 PolarHBondContact O-N 3Å; E235-L238 PolarHBondContact O-N 2.98Å; E235-E239 WeakPolarHBondContact O-CB 3.34Å; E235-E239 PolarHBondContact O-N 3.13Å |
| 236 | A | 93.9 | Very high | 92.3 | Very high | 65 Ų | 65 | 103 Ų | 103 | 54% | 0.537 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -36.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q232 R233 G240 | Q232-A236 WeakPolarHBondContact O-CB 3.3Å; Q232-A236 PolarHBondContact O-N 2.91Å; R233-A236 PolarHBondContact O-N 3.02Å; A236-G240 PolarHBondContact O-N 3.03Å |
| 237 | E | 95.2 | Very high | 93.3 | Very high | 123 Ų | 123 | 98.4 Ų | 98.4 | 58% | 0.575 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.6 | -40.7 | 175.6 | -172 | 167.7 | -157.8 | 0 | 0 | 111.8 | R233 L234 E235 G240 A241 | R233-E237 WeakPolarHBondContact O-CB 3.28Å; R233-E237 PolarHBondContact O-N 3.38Å; L234-E237 PolarHBondContact O-N 3.46Å; E235-E237 VanDerWaalsContact C-N 3.33Å; E235-E237 PolarHBondContact O-N 3Å; E237-G240 PolarHBondContact O-N 2.98Å; E237-A241 WeakPolarHBondContact O-CB 3.45Å; E237-A241 PolarHBondContact O-N 2.99Å |
| 238 | L | 95.7 | Very high | 93.9 | Very high | 93 Ų | 93 | 97.5 Ų | 97.5 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.5 | -39 | 174.8 | -179 | 142.7 | 0 | 0 | 0 | 112.2 | L234 E235 A241 R242 | L234-L238 VanDerWaalsContact O-CB 3.23Å; L234-L238 WeakPolarHBondContact O-CB 3.33Å; L234-L238 PolarHBondContact O-N 3.32Å; E235-L238 PolarHBondContact O-N 2.98Å; L238-A241 PolarHBondContact O-N 3.27Å; L238-R242 WeakPolarHBondContact O-CG 3.5Å; L238-R242 PolarHBondContact O-N 2.94Å |
| 239 | E | 96.4 | Very high | 94.4 | Very high | 91 Ų | 91 | 96.6 Ų | 96.6 | 43% | 0.425 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 173.4 | -155.2 | 75.1 | -89 | 0 | 0 | 110.7 | E235 R242 H243 | E235-E239 WeakPolarHBondContact O-CB 3.34Å; E235-E239 PolarHBondContact O-N 3.13Å; E239-R242 WeakPolarHBondContact O-CB 3.26Å; E239-R242 PolarHBondContact O-N 3.36Å; E239-R242 WeakPolarHBondContact OE1-CD 3.46Å; E239-R242 IonicContact OE1-NH1 3.9Å; E239-H243 PolarHBondContact O-N 3.33Å; E239-H243 PolarHBondContact O-ND1 2.97Å |
| 240 | G | 95.4 | Very high | 94.7 | Very high | 37 Ų | 37 | 96.4 Ų | 96.4 | 38% | 0.381 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.6 | -49 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A236 E237 R242 H243 E244 | A236-G240 PolarHBondContact O-N 3.03Å; E237-G240 PolarHBondContact O-N 2.98Å; G240-R242 VanDerWaalsContact C-N 3.29Å; G240-R242 PolarHBondContact O-N 2.96Å; G240-H243 PolarHBondContact O-N 3.46Å; G240-E244 PolarHBondContact O-N 3.18Å |
| 241 | A | 95.2 | Very high | 94.9 | Very high | 54 Ų | 54 | 97 Ų | 97 | 45% | 0.446 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.7 | -34.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E237 L238 A245 | E237-A241 WeakPolarHBondContact O-CB 3.45Å; E237-A241 PolarHBondContact O-N 2.99Å; L238-A241 PolarHBondContact O-N 3.27Å; A241-A245 VanDerWaalsContact O-CB 3.24Å; A241-A245 WeakPolarHBondContact O-CB 3.31Å; A241-A245 PolarHBondContact O-N 3Å |
| 242 | R | 95.9 | Very high | 95.1 | Very high | 152 Ų | 152 | 98.8 Ų | 98.8 | 57% | 0.574 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.3 | -45.6 | 172.7 | -78 | 172.2 | 171.5 | -172.3 | 0.1 | 112.5 | L238 E239 G240 E244 A245 Q246 | L238-R242 WeakPolarHBondContact O-CG 3.5Å; L238-R242 PolarHBondContact O-N 2.94Å; E239-R242 WeakPolarHBondContact O-CB 3.26Å; E239-R242 PolarHBondContact O-N 3.36Å; E239-R242 WeakPolarHBondContact OE1-CD 3.46Å; E239-R242 IonicContact OE1-NH1 3.9Å; G240-R242 VanDerWaalsContact C-N 3.29Å; G240-R242 PolarHBondContact O-N 2.96Å; R242-E244 VanDerWaalsContact C-N 3.33Å; R242-A245 PolarHBondContact O-N 2.76Å; R242-Q246 WeakPolarHBondContact O-CB 3.37Å; R242-Q246 PolarHBondContact O-N 2.9Å |
| 243 | H | 96.6 | Very high | 95.3 | Very high | 122 Ų | 122 | 99.8 Ų | 99.8 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.5 | -39.1 | 176.8 | -73.6 | 81.7 | 0 | 0 | 0 | 111.5 | E239 G240 G247 | E239-H243 PolarHBondContact O-N 3.33Å; E239-H243 PolarHBondContact O-ND1 2.97Å; G240-H243 PolarHBondContact O-N 3.46Å; H243-G247 PolarHBondContact O-N 2.87Å |
| 244 | E | 95.8 | Very high | 95.4 | Very high | 142 Ų | 142 | 97 Ų | 97 | 66% | 0.664 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.3 | -44.8 | 175.5 | -175.1 | 169 | -163.1 | 0 | 0 | 112.2 | G240 R242 G247 A248 | G240-E244 PolarHBondContact O-N 3.18Å; R242-E244 VanDerWaalsContact C-N 3.33Å; E244-G247 PolarHBondContact O-N 3.29Å; E244-A248 PolarHBondContact O-N 2.96Å |
| 245 | A | 94.4 | Very high | 95.4 | Very high | 52 Ų | 52 | 98.7 Ų | 98.7 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A241 R242 G247 A248 C249 | A241-A245 VanDerWaalsContact O-CB 3.24Å; A241-A245 WeakPolarHBondContact O-CB 3.31Å; A241-A245 PolarHBondContact O-N 3Å; R242-A245 PolarHBondContact O-N 2.76Å; A245-G247 VanDerWaalsContact C-N 3.34Å; A245-G247 PolarHBondContact O-N 2.77Å; A245-A248 WeakPolarHBondContact O-CB 3.47Å; A245-A248 PolarHBondContact O-N 2.87Å; A245-A248 VanDerWaalsContact O-N 3.13Å; A245-C249 PolarHBondContact O-N 3.13Å; A245-C249 PolarHBondContact O-SG 3.38Å |
| 246 | Q | 96.5 | Very high | 95.6 | Very high | 115 Ų | 115 | 99.6 Ų | 99.6 | 54% | 0.537 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 175 | -175.9 | 176.6 | -1.8 | 0 | 0 | 111.6 | R242 A248 C249 Q250 | R242-Q246 WeakPolarHBondContact O-CB 3.37Å; R242-Q246 PolarHBondContact O-N 2.9Å; Q246-A248 VanDerWaalsContact C-N 3.29Å; Q246-A248 PolarHBondContact O-N 3.49Å; Q246-C249 PolarHBondContact O-N 2.98Å; Q246-Q250 WeakPolarHBondContact O-CG 3.05Å; Q246-Q250 PolarHBondContact O-N 2.99Å |
| 247 | G | 96.4 | Very high | 95.8 | Very high | 15 Ų | 15 | 99.5 Ų | 99.5 | 16% | 0.155 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -65.4 | -30.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | H243 E244 A245 R251 | H243-G247 PolarHBondContact O-N 2.87Å; E244-G247 PolarHBondContact O-N 3.29Å; A245-G247 VanDerWaalsContact C-N 3.34Å; A245-G247 PolarHBondContact O-N 2.77Å; G247-R251 WeakPolarHBondContact O-CG 3.29Å; G247-R251 VanDerWaalsContact O-CZ 3.27Å; G247-R251 PolarHBondContact O-N 3.39Å; G247-R251 PolarHBondContact O-NH1 3.17Å |
| 248 | A | 93 | Very high | 95.8 | Very high | 42 Ų | 42 | 97.6 Ų | 97.6 | 35% | 0.347 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.2 | -45.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E244 A245 Q246 Q250 R251 E252 | E244-A248 PolarHBondContact O-N 2.96Å; A245-A248 WeakPolarHBondContact O-CB 3.47Å; A245-A248 PolarHBondContact O-N 2.87Å; A245-A248 VanDerWaalsContact O-N 3.13Å; Q246-A248 VanDerWaalsContact C-N 3.29Å; Q246-A248 PolarHBondContact O-N 3.49Å; A248-Q250 VanDerWaalsContact C-N 3.31Å; A248-Q250 PolarHBondContact O-N 2.89Å; A248-R251 PolarHBondContact O-N 3.39Å; A248-E252 PolarHBondContact O-N 3.4Å |
| 249 | C | 95.5 | Very high | 95.7 | Very high | 77 Ų | 77 | 96.2 Ų | 96.2 | 52% | 0.52 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.1 | -38.9 | 175.4 | -64.5 | 0 | 0 | 0 | 0 | 112.5 | A245 Q246 E252 E253 | A245-C249 PolarHBondContact O-N 3.13Å; A245-C249 PolarHBondContact O-SG 3.38Å; Q246-C249 PolarHBondContact O-N 2.98Å; C249-E252 WeakPolarHBondContact O-CB 3.45Å; C249-E252 PolarHBondContact O-N 2.91Å; C249-E253 PolarHBondContact O-N 3.32Å |
| 250 | Q | 96.5 | Very high | 95.7 | Very high | 100 Ų | 100 | 95.9 Ų | 95.9 | 47% | 0.467 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 175.3 | -74.4 | 173 | -4.3 | 0 | 0 | 112 | Q246 A248 E252 E253 E254 | Q246-Q250 WeakPolarHBondContact O-CG 3.05Å; Q246-Q250 PolarHBondContact O-N 2.99Å; A248-Q250 VanDerWaalsContact C-N 3.31Å; A248-Q250 PolarHBondContact O-N 2.89Å; Q250-E252 VanDerWaalsContact C-N 3.3Å; Q250-E252 PolarHBondContact O-N 2.89Å; Q250-E253 PolarHBondContact O-N 3.19Å; Q250-E254 WeakPolarHBondContact O-CG 3.21Å; Q250-E254 PolarHBondContact O-N 2.62Å |
| 251 | R | 96.2 | Very high | 95.9 | Very high | 135 Ų | 135 | 99.8 Ų | 99.8 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.3 | -32.7 | 175.3 | -69.3 | -176.1 | -59.5 | -92.4 | 6.4 | 112.8 | G247 A248 M255 | G247-R251 WeakPolarHBondContact O-CG 3.29Å; G247-R251 VanDerWaalsContact O-CZ 3.27Å; G247-R251 PolarHBondContact O-N 3.39Å; G247-R251 PolarHBondContact O-NH1 3.17Å; A248-R251 PolarHBondContact O-N 3.39Å; R251-M255 WeakPolarHBondContact O-CB 3.46Å; R251-M255 PolarHBondContact O-N 3.27Å |
| 252 | E | 94.4 | Very high | 95.9 | Very high | 133 Ų | 133 | 100.7 Ų | 100.7 | 62% | 0.621 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.9 | -44 | 172.4 | -170.1 | -171.4 | 153.5 | 0 | 0 | 111.1 | A248 C249 Q250 M255 K256 | A248-E252 PolarHBondContact O-N 3.4Å; C249-E252 WeakPolarHBondContact O-CB 3.45Å; C249-E252 PolarHBondContact O-N 2.91Å; Q250-E252 VanDerWaalsContact C-N 3.3Å; Q250-E252 PolarHBondContact O-N 2.89Å; E252-M255 PolarHBondContact O-N 3.44Å; E252-K256 WeakPolarHBondContact O-CB 3.47Å; E252-K256 PolarHBondContact O-N 3.25Å |
| 253 | E | 96.4 | Very high | 95.8 | Very high | 142 Ų | 142 | 98 Ų | 98 | 66% | 0.664 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.6 | -43.6 | 177.4 | -172.2 | 168.7 | -157.1 | 0 | 0 | 112.2 | C249 Q250 K256 A257 | C249-E253 PolarHBondContact O-N 3.32Å; Q250-E253 PolarHBondContact O-N 3.19Å; E253-K256 PolarHBondContact O-N 3.08Å; E253-A257 PolarHBondContact O-N 3Å |
| 254 | E | 96.1 | Very high | 95.8 | Very high | 134 Ų | 134 | 96.2 Ų | 96.2 | 63% | 0.626 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59 | -48.5 | 172.7 | -72.5 | 172.5 | 175.4 | 0 | 0 | 112 | Q250 K256 A257 E258 | Q250-E254 WeakPolarHBondContact O-CG 3.21Å; Q250-E254 PolarHBondContact O-N 2.62Å; E254-K256 VanDerWaalsContact C-N 3.3Å; E254-K256 PolarHBondContact O-N 3.5Å; E254-A257 PolarHBondContact O-N 3.31Å; E254-E258 PolarHBondContact O-N 3.36Å |
| 255 | M | 95.6 | Very high | 95.8 | Very high | 133 Ų | 133 | 93.5 Ų | 93.5 | 66% | 0.655 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.8 | -36.1 | 178.7 | -170.1 | -178.8 | -58.6 | 0 | 0 | 111.8 | R251 E252 E258 V259 | R251-M255 WeakPolarHBondContact O-CB 3.46Å; R251-M255 PolarHBondContact O-N 3.27Å; E252-M255 PolarHBondContact O-N 3.44Å; M255-E258 PolarHBondContact O-N 3.02Å; M255-V259 WeakPolarHBondContact O-CG2 3.39Å; M255-V259 PolarHBondContact O-N 3.47Å |
| 256 | K | 96.6 | Very high | 95.7 | Very high | 135 Ų | 135 | 95.4 Ų | 95.4 | 59% | 0.587 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67.4 | -39.8 | 176 | -173 | 177 | -177.3 | 177.9 | 0 | 111.9 | E252 E253 E254 V259 E260 | E252-K256 WeakPolarHBondContact O-CB 3.47Å; E252-K256 PolarHBondContact O-N 3.25Å; E253-K256 PolarHBondContact O-N 3.08Å; E254-K256 VanDerWaalsContact C-N 3.3Å; E254-K256 PolarHBondContact O-N 3.5Å; K256-V259 PolarHBondContact O-N 3.23Å; K256-E260 PolarHBondContact O-N 2.87Å |
| 257 | A | 97.1 | Very high | 95.7 | Very high | 63 Ų | 63 | 96.2 Ų | 96.2 | 52% | 0.521 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E253 E254 E260 R261 | E253-A257 PolarHBondContact O-N 3Å; E254-A257 PolarHBondContact O-N 3.31Å; A257-E260 PolarHBondContact O-N 3.46Å; A257-R261 PolarHBondContact O-N 3.36Å |
| 258 | E | 96.3 | Very high | 95.5 | Very high | 82 Ų | 82 | 101.6 Ų | 101.6 | 38% | 0.383 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.4 | -36.6 | 175.7 | -176.8 | 59.5 | -167 | 0 | 0 | 112.4 | E254 M255 R261 L262 | E254-E258 PolarHBondContact O-N 3.36Å; M255-E258 PolarHBondContact O-N 3.02Å; E258-R261 VanDerWaalsContact CD-NE 3.33Å; E258-R261 WeakPolarHBondContact O-CB 3.3Å; E258-R261 PolarHBondContact O-N 2.96Å; E258-R261 IonicContact OE1-CZ 2.73Å; E258-R261 IonicContact OE1-NE 3.72Å; E258-R261 PolarHBondContact OE1-NE 2.88Å; E258-R261 IonicContact OE1-NH2 2.81Å; E258-R261 PolarHBondContact OE1-NH2 3.37Å; E258-R261 WeakPolarHBondContact OE2-CD 3.43Å; E258-R261 IonicContact OE2-CZ 2.91Å; E258-R261 IonicContact OE2-NE 3.15Å; E258-R261 PolarHBondContact OE2-NE 3.04Å; E258-R261 IonicContact OE2-NH2 3.93Å; E258-L262 HydrophobicContact CG-CD1 4.17Å; E258-L262 WeakPolarHBondContact O-CB 3.49Å; E258-L262 WeakPolarHBondContact O-CG 3.46Å; E258-L262 PolarHBondContact O-N 3.39Å |
| 259 | V | 93.8 | Very high | 95.5 | Very high | 65 Ų | 65 | 104.5 Ų | 104.5 | 39% | 0.394 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 172.9 | 164.9 | 0 | 0 | 0 | 0 | 112.1 | M255 K256 K263 | M255-V259 WeakPolarHBondContact O-CG2 3.39Å; M255-V259 PolarHBondContact O-N 3.47Å; K256-V259 PolarHBondContact O-N 3.23Å; V259-K263 HydrophobicContact CG1-CD 4.32Å; V259-K263 VanDerWaalsContact O-CG 3.28Å; V259-K263 WeakPolarHBondContact O-CG 3.37Å; V259-K263 PolarHBondContact O-N 3.09Å |
| 260 | E | 96.6 | Very high | 95 | Very high | 84 Ų | 84 | 106 Ų | 106 | 39% | 0.393 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 173.8 | -64 | -50 | 127.7 | 0 | 0 | 111.6 | K256 A257 L262 K263 D264 | K256-E260 PolarHBondContact O-N 2.87Å; A257-E260 PolarHBondContact O-N 3.46Å; E260-L262 VanDerWaalsContact C-N 3.33Å; E260-L262 PolarHBondContact O-N 3.47Å; E260-K263 WeakPolarHBondContact O-CB 3.5Å; E260-K263 PolarHBondContact O-N 2.94Å; E260-K263 VanDerWaalsContact O-N 3.15Å; E260-K263 IonicContact OE1-NZ 3.69Å; E260-K263 PolarHBondContact OE1-NZ 3.44Å; E260-K263 IonicContact OE2-NZ 3Å; E260-D264 PolarHBondContact O-N 3.33Å |
| 261 | R | 97.9 | Very high | 94.6 | Very high | 119 Ų | 119 | 104.6 Ų | 104.6 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56.1 | -46 | 174.6 | -165.1 | -162.6 | 68 | 67 | 1.9 | 111.9 | A257 E258 D264 E265 | A257-R261 PolarHBondContact O-N 3.36Å; E258-R261 VanDerWaalsContact CD-NE 3.33Å; E258-R261 WeakPolarHBondContact O-CB 3.3Å; E258-R261 PolarHBondContact O-N 2.96Å; E258-R261 IonicContact OE1-CZ 2.73Å; E258-R261 IonicContact OE1-NE 3.72Å; E258-R261 PolarHBondContact OE1-NE 2.88Å; E258-R261 IonicContact OE1-NH2 2.81Å; E258-R261 PolarHBondContact OE1-NH2 3.37Å; E258-R261 WeakPolarHBondContact OE2-CD 3.43Å; E258-R261 IonicContact OE2-CZ 2.91Å; E258-R261 IonicContact OE2-NE 3.15Å; E258-R261 PolarHBondContact OE2-NE 3.04Å; E258-R261 IonicContact OE2-NH2 3.93Å; R261-D264 PolarHBondContact O-N 2.85Å; R261-E265 IonicContact CZ-OE2 2.69Å; R261-E265 IonicContact NH1-OE2 2.62Å; R261-E265 PolarHBondContact NH1-OE2 2.85Å; R261-E265 IonicContact NH2-OE2 3.28Å; R261-E265 PolarHBondContact NH2-OE2 3.38Å; R261-E265 PolarHBondContact O-N 2.89Å |
| 262 | L | 96.8 | Very high | 94 | Very high | 73 Ų | 73 | 101.5 Ų | 101.5 | 38% | 0.382 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.3 | -34.3 | 177.7 | -73.7 | 168.3 | 0 | 0 | 0 | 112.8 | E258 E260 E265 I266 | E258-L262 HydrophobicContact CG-CD1 4.17Å; E258-L262 WeakPolarHBondContact O-CB 3.49Å; E258-L262 WeakPolarHBondContact O-CG 3.46Å; E258-L262 PolarHBondContact O-N 3.39Å; E260-L262 VanDerWaalsContact C-N 3.33Å; E260-L262 PolarHBondContact O-N 3.47Å; L262-E265 PolarHBondContact O-N 2.78Å; L262-I266 WeakPolarHBondContact O-CB 3.38Å; L262-I266 VanDerWaalsContact O-CG1 3.27Å; L262-I266 WeakPolarHBondContact O-CG1 3.33Å; L262-I266 PolarHBondContact O-N 2.66Å |
| 263 | K | 93.4 | Very high | 93.3 | Very high | 94 Ų | 94 | 100.4 Ų | 100.4 | 41% | 0.409 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 173.7 | -77.1 | 167.5 | -177.4 | 172.6 | 0 | 111.9 | V259 E260 I266 R267 | V259-K263 HydrophobicContact CG1-CD 4.32Å; V259-K263 VanDerWaalsContact O-CG 3.28Å; V259-K263 WeakPolarHBondContact O-CG 3.37Å; V259-K263 PolarHBondContact O-N 3.09Å; E260-K263 WeakPolarHBondContact O-CB 3.5Å; E260-K263 PolarHBondContact O-N 2.94Å; E260-K263 VanDerWaalsContact O-N 3.15Å; E260-K263 IonicContact OE1-NZ 3.69Å; E260-K263 PolarHBondContact OE1-NZ 3.44Å; E260-K263 IonicContact OE2-NZ 3Å; K263-I266 PolarHBondContact O-N 3.27Å; K263-R267 WeakPolarHBondContact O-CB 3.49Å; K263-R267 PolarHBondContact O-N 2.91Å |
| 264 | D | 95.7 | Very high | 92.4 | Very high | 85 Ų | 85 | 101.1 Ų | 101.1 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -73.2 | -34.2 | 178.3 | -73.2 | -21.7 | 0 | 0 | 0 | 112 | E260 R261 R267 Q268 | E260-D264 PolarHBondContact O-N 3.33Å; R261-D264 PolarHBondContact O-N 2.85Å; D264-R267 WeakPolarHBondContact O-CB 3.43Å; D264-R267 PolarHBondContact O-N 3.38Å; D264-R267 IonicContact OD1-CZ 2.63Å; D264-R267 IonicContact OD1-NE 3.13Å; D264-R267 PolarHBondContact OD1-NE 2.96Å; D264-R267 VanDerWaalsContact OD1-NE 3.15Å; D264-R267 IonicContact OD1-NH2 3.61Å; D264-R267 PolarHBondContact OD1-NH2 2.8Å; D264-Q268 WeakPolarHBondContact O-CB 3.46Å; D264-Q268 PolarHBondContact O-N 3.38Å |
| 265 | E | 96.1 | Very high | 91.4 | Very high | 85 Ų | 85 | 101.3 Ų | 101.3 | 40% | 0.397 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 169.7 | -171.5 | 171.5 | -179 | 0 | 0 | 111.8 | R261 L262 R267 Q268 L269 | R261-E265 IonicContact CZ-OE2 2.69Å; R261-E265 IonicContact NH1-OE2 2.62Å; R261-E265 PolarHBondContact NH1-OE2 2.85Å; R261-E265 IonicContact NH2-OE2 3.28Å; R261-E265 PolarHBondContact NH2-OE2 3.38Å; R261-E265 PolarHBondContact O-N 2.89Å; L262-E265 PolarHBondContact O-N 2.78Å; E265-R267 VanDerWaalsContact C-N 3.35Å; E265-R267 PolarHBondContact O-N 3.14Å; E265-Q268 PolarHBondContact O-N 3.34Å; E265-L269 HydrophobicContact CG-CD1 4.42Å; E265-L269 WeakPolarHBondContact O-CB 3.44Å; E265-L269 VanDerWaalsContact O-CG 3.31Å; E265-L269 WeakPolarHBondContact O-CG 3.22Å; E265-L269 PolarHBondContact O-N 3.36Å |
| 266 | I | 93.1 | Very high | 90.1 | Very high | 93 Ų | 93 | 103.2 Ų | 103.2 | 48% | 0.477 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 173.6 | -71.1 | 165.4 | 0 | 0 | 0 | 111.4 | L262 K263 L269 Q270 | L262-I266 WeakPolarHBondContact O-CB 3.38Å; L262-I266 VanDerWaalsContact O-CG1 3.27Å; L262-I266 WeakPolarHBondContact O-CG1 3.33Å; L262-I266 PolarHBondContact O-N 2.66Å; K263-I266 PolarHBondContact O-N 3.27Å; I266-L269 PolarHBondContact O-N 2.85Å; I266-Q270 VanDerWaalsContact O-CG 3.3Å; I266-Q270 WeakPolarHBondContact O-CG 3.48Å; I266-Q270 PolarHBondContact O-N 3.35Å |
| 267 | R | 95.3 | Very high | 88.5 | Confident | 131 Ų | 131 | 100.5 Ų | 100.5 | 49% | 0.494 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 178.2 | -165.4 | -167.4 | -44 | -73.7 | -2.8 | 111 | K263 D264 E265 Q270 D271 | K263-R267 WeakPolarHBondContact O-CB 3.49Å; K263-R267 PolarHBondContact O-N 2.91Å; D264-R267 WeakPolarHBondContact O-CB 3.43Å; D264-R267 PolarHBondContact O-N 3.38Å; D264-R267 IonicContact OD1-CZ 2.63Å; D264-R267 IonicContact OD1-NE 3.13Å; D264-R267 PolarHBondContact OD1-NE 2.96Å; D264-R267 VanDerWaalsContact OD1-NE 3.15Å; D264-R267 IonicContact OD1-NH2 3.61Å; D264-R267 PolarHBondContact OD1-NH2 2.8Å; E265-R267 VanDerWaalsContact C-N 3.35Å; E265-R267 PolarHBondContact O-N 3.14Å; R267-Q270 WeakPolarHBondContact O-CB 3.42Å; R267-Q270 PolarHBondContact O-N 2.87Å; R267-D271 PolarHBondContact O-N 3.29Å |
| 268 | Q | 93.6 | Very high | 86.5 | Confident | 129 Ų | 129 | 105.8 Ų | 105.8 | 60% | 0.603 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.1 | -43 | 177.8 | -172.5 | 165.2 | 1.4 | 0 | 0 | 111.6 | D264 E265 Q270 D271 D272 | D264-Q268 WeakPolarHBondContact O-CB 3.46Å; D264-Q268 PolarHBondContact O-N 3.38Å; E265-Q268 PolarHBondContact O-N 3.34Å; Q268-Q270 VanDerWaalsContact C-N 3.3Å; Q268-Q270 PolarHBondContact O-N 3.29Å; Q268-D271 PolarHBondContact O-N 3.32Å; Q268-D272 WeakPolarHBondContact O-CB 3.23Å; Q268-D272 PolarHBondContact O-N 2.91Å |
| 269 | L | 91.4 | Very high | 84.6 | Confident | 103 Ų | 103 | 107.3 Ų | 107.3 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -34.5 | 174.1 | -71.3 | 170.5 | 0 | 0 | 0 | 113 | E265 I266 Q273 | E265-L269 HydrophobicContact CG-CD1 4.42Å; E265-L269 WeakPolarHBondContact O-CB 3.44Å; E265-L269 VanDerWaalsContact O-CG 3.31Å; E265-L269 WeakPolarHBondContact O-CG 3.22Å; E265-L269 PolarHBondContact O-N 3.36Å; I266-L269 PolarHBondContact O-N 2.85Å; L269-Q273 VanDerWaalsContact O-CB 3.3Å; L269-Q273 WeakPolarHBondContact O-CB 3.33Å; L269-Q273 PolarHBondContact O-N 3.37Å |
| 270 | Q | 86.5 | Confident | 82.5 | Confident | 109 Ų | 109 | 106.2 Ų | 106.2 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.2 | -37.4 | 174.9 | -75.9 | 175.7 | 3.5 | 0 | 0 | 112.5 | I266 R267 Q268 R274 | I266-Q270 VanDerWaalsContact O-CG 3.3Å; I266-Q270 WeakPolarHBondContact O-CG 3.48Å; I266-Q270 PolarHBondContact O-N 3.35Å; R267-Q270 WeakPolarHBondContact O-CB 3.42Å; R267-Q270 PolarHBondContact O-N 2.87Å; Q268-Q270 VanDerWaalsContact C-N 3.3Å; Q268-Q270 PolarHBondContact O-N 3.29Å; Q270-R274 WeakPolarHBondContact O-CB 3.49Å; Q270-R274 PolarHBondContact O-N 2.96Å |
| 271 | D | 88.3 | Confident | 80.4 | Confident | 70 Ų | 70 | 106.8 Ų | 106.8 | 37% | 0.374 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -77.5 | -37.9 | 177.2 | -70.8 | -30.9 | 0 | 0 | 0 | 111.7 | R267 Q268 Q273 R274 E275 | R267-D271 PolarHBondContact O-N 3.29Å; Q268-D271 PolarHBondContact O-N 3.32Å; D271-Q273 VanDerWaalsContact C-N 3.28Å; D271-Q273 PolarHBondContact O-N 3.4Å; D271-R274 WeakPolarHBondContact O-CA 3.28Å; D271-R274 WeakPolarHBondContact O-CB 3.33Å; D271-R274 PolarHBondContact O-N 2.98Å; D271-R274 IonicContact OD1-CZ 3.58Å; D271-R274 IonicContact OD1-NE 3.67Å; D271-R274 PolarHBondContact OD1-NE 3.25Å; D271-R274 VanDerWaalsContact OD1-NE 3.14Å; D271-R274 IonicContact OD1-NH2 3.6Å; D271-R274 PolarHBondContact OD1-NH2 3.5Å; D271-R274 VanDerWaalsContact OD1-NH2 3.13Å; D271-E275 PolarHBondContact O-N 3.17Å |
| 272 | D | 83.6 | Confident | 78.5 | Confident | 70 Ų | 70 | 104.9 Ų | 104.9 | 37% | 0.374 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.8 | -40.2 | 167.7 | -76.9 | -7.8 | 0 | 0 | 0 | 111.5 | Q268 R276 | Q268-D272 WeakPolarHBondContact O-CB 3.23Å; Q268-D272 PolarHBondContact O-N 2.91Å; D272-R276 WeakPolarHBondContact O-CB 3.44Å; D272-R276 PolarHBondContact O-N 3.38Å |
| 273 | Q | 78 | Confident | 76.4 | Confident | 110 Ų | 110 | 107.3 Ų | 107.3 | 51% | 0.514 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 173 | 179.5 | 177.4 | -10.2 | 0 | 0 | 111.1 | L269 D271 R276 E277 | L269-Q273 VanDerWaalsContact O-CB 3.3Å; L269-Q273 WeakPolarHBondContact O-CB 3.33Å; L269-Q273 PolarHBondContact O-N 3.37Å; D271-Q273 VanDerWaalsContact C-N 3.28Å; D271-Q273 PolarHBondContact O-N 3.4Å; Q273-R276 PolarHBondContact O-N 3.34Å; Q273-E277 HydrophobicContact CG-CG 4.41Å; Q273-E277 PolarHBondContact NE2-OE1 3.43Å; Q273-E277 WeakPolarHBondContact O-CB 3.33Å; Q273-E277 WeakPolarHBondContact O-CG 3.49Å; Q273-E277 PolarHBondContact O-N 3.43Å |
| 274 | R | 79 | Confident | 74.5 | Confident | 156 Ų | 156 | 108.4 Ų | 108.4 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.9 | -45 | 178.6 | -166.3 | -167.7 | -49.4 | -74.2 | -4.9 | 111.7 | Q270 D271 E277 M278 | Q270-R274 WeakPolarHBondContact O-CB 3.49Å; Q270-R274 PolarHBondContact O-N 2.96Å; D271-R274 WeakPolarHBondContact O-CA 3.28Å; D271-R274 WeakPolarHBondContact O-CB 3.33Å; D271-R274 PolarHBondContact O-N 2.98Å; D271-R274 IonicContact OD1-CZ 3.58Å; D271-R274 IonicContact OD1-NE 3.67Å; D271-R274 PolarHBondContact OD1-NE 3.25Å; D271-R274 VanDerWaalsContact OD1-NE 3.14Å; D271-R274 IonicContact OD1-NH2 3.6Å; D271-R274 PolarHBondContact OD1-NH2 3.5Å; D271-R274 VanDerWaalsContact OD1-NH2 3.13Å; R274-E277 PolarHBondContact O-N 3.38Å; R274-M278 WeakPolarHBondContact O-CB 3.48Å; R274-M278 PolarHBondContact O-N 2.94Å |
| 275 | E | 75 | Confident | 72.7 | Confident | 138 Ų | 138 | 107.7 Ų | 107.7 | 65% | 0.645 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65 | -40.4 | 174.8 | -69.5 | -164.2 | 169.5 | 0 | 0 | 111.7 | D271 M278 T279 | D271-E275 PolarHBondContact O-N 3.17Å; E275-M278 PolarHBondContact O-N 3.17Å; E275-T279 WeakPolarHBondContact O-CB 3.37Å; E275-T279 WeakPolarHBondContact O-CG2 3.5Å; E275-T279 PolarHBondContact O-N 3.48Å; E275-T279 PolarHBondContact O-OG1 3.38Å |
| 276 | R | 68 | Low | 71.3 | Confident | 173 Ų | 173 | 108.1 Ų | 108.1 | 65% | 0.653 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.2 | -40.4 | 175 | -169.1 | 177.4 | -58.3 | 168 | 7.3 | 112.3 | D272 Q273 T279 S280 | D272-R276 WeakPolarHBondContact O-CB 3.44Å; D272-R276 PolarHBondContact O-N 3.38Å; Q273-R276 PolarHBondContact O-N 3.34Å; R276-T279 WeakPolarHBondContact CA-OG1 3.31Å; R276-T279 PolarHBondContact O-N 3.32Å; R276-T279 PolarHBondContact O-OG1 2.69Å; R276-S280 WeakPolarHBondContact O-CB 3.42Å; R276-S280 PolarHBondContact O-N 3.02Å; R276-S280 PolarHBondContact O-OG 3.14Å |
| 277 | E | 62.4 | Low | 70.4 | Confident | 79 Ų | 79 | 108.3 Ų | 108.3 | 37% | 0.369 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 174.4 | -76.4 | -172.8 | -160 | 0 | 0 | 111.6 | Q273 R274 T279 S280 K283 | Q273-E277 HydrophobicContact CG-CG 4.41Å; Q273-E277 PolarHBondContact NE2-OE1 3.43Å; Q273-E277 WeakPolarHBondContact O-CB 3.33Å; Q273-E277 WeakPolarHBondContact O-CG 3.49Å; Q273-E277 PolarHBondContact O-N 3.43Å; R274-E277 PolarHBondContact O-N 3.38Å; E277-T279 VanDerWaalsContact C-N 3.3Å; E277-T279 PolarHBondContact O-N 3.04Å; E277-S280 PolarHBondContact O-N 2.98Å; E277-S280 PolarHBondContact O-OG 3.38Å; E277-K283 IonicContact OE1-NZ 3.49Å; E277-K283 IonicContact OE2-NZ 3.14Å; E277-K283 PolarHBondContact OE2-NZ 3.18Å |
| 278 | M | 55 | Low | 69.6 | Low | 173 Ų | 173 | 107.4 Ų | 107.4 | 85% | 0.852 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -69.6 | -24.1 | 178.8 | -162.8 | 169.8 | -169.7 | 0 | 0 | 113.5 | R274 E275 | R274-M278 WeakPolarHBondContact O-CB 3.48Å; R274-M278 PolarHBondContact O-N 2.94Å; E275-M278 PolarHBondContact O-N 3.17Å |
| 279 | T | 56.7 | Low | 68.9 | Low | 114 Ų | 114 | 109.4 Ų | 109.4 | 70% | 0.699 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -99.2 | -11.3 | 175.4 | 52.5 | 0 | 0 | 0 | 0 | 113.9 | E275 R276 E277 | E275-T279 WeakPolarHBondContact O-CB 3.37Å; E275-T279 WeakPolarHBondContact O-CG2 3.5Å; E275-T279 PolarHBondContact O-N 3.48Å; E275-T279 PolarHBondContact O-OG1 3.38Å; R276-T279 WeakPolarHBondContact CA-OG1 3.31Å; R276-T279 PolarHBondContact O-N 3.32Å; R276-T279 PolarHBondContact O-OG1 2.69Å; E277-T279 VanDerWaalsContact C-N 3.3Å; E277-T279 PolarHBondContact O-N 3.04Å |
| 280 | S | 49.3 | Very low | 68.5 | Low | 43 Ų | 43 | 109.7 Ų | 109.7 | 30% | 0.301 | 54% | 0.543 | S | S | . | . | trans | -78.5 | 127.8 | 177.6 | 73.4 | 0 | 0 | 0 | 0 | 111.9 | R276 E277 C282 | R276-S280 WeakPolarHBondContact O-CB 3.42Å; R276-S280 PolarHBondContact O-N 3.02Å; R276-S280 PolarHBondContact O-OG 3.14Å; E277-S280 PolarHBondContact O-N 2.98Å; E277-S280 PolarHBondContact O-OG 3.38Å; S280-C282 PolarHBondContact O-N 3.34Å; S280-C282 VanDerWaalsContact O-N 3.08Å | ||
| 281 | P | 53.6 | Low | 68.7 | Low | 96 Ų | 96 | 111 Ų | 111 | 62% | 0.623 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -65.7 | -9.9 | 173.8 | -23.1 | 34.6 | 0 | 0 | 0 | 114.5 | K283 Q284 C285 | P281-K283 PolarHBondContact O-N 3.49Å; P281-Q284 PolarHBondContact O-N 2.97Å; P281-C285 PolarHBondContact O-N 3.12Å; P281-C285 PolarHBondContact O-SG 2.94Å |
| 282 | C | 56.7 | Low | 68.8 | Low | 79 Ų | 79 | 113.7 Ų | 113.7 | 53% | 0.534 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.1 | -51.7 | -163.1 | -154.8 | 0 | 0 | 0 | 0 | 113 | S280 Q284 C285 D286 | S280-C282 PolarHBondContact O-N 3.34Å; S280-C282 VanDerWaalsContact O-N 3.08Å; C282-Q284 VanDerWaalsContact C-N 3.28Å; C282-Q284 PolarHBondContact O-N 3.01Å; C282-C285 PolarHBondContact O-N 3.32Å; C282-D286 PolarHBondContact O-N 3.1Å |
| 283 | K | 52.6 | Low | 69 | Low | 124 Ų | 124 | 112.5 Ų | 112.5 | 54% | 0.539 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.1 | -26.2 | -178.9 | -65.6 | -177.1 | 177.9 | -178.9 | 0 | 113.1 | E277 P281 | E277-K283 IonicContact OE1-NZ 3.49Å; E277-K283 IonicContact OE2-NZ 3.14Å; E277-K283 PolarHBondContact OE2-NZ 3.18Å; P281-K283 PolarHBondContact O-N 3.49Å |
| 284 | Q | 54.1 | Low | 69.5 | Low | 116 Ų | 116 | 108.9 Ų | 108.9 | 54% | 0.542 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -73 | -41.9 | 173.7 | -172.5 | 71.7 | 21.1 | 0 | 0 | 110.8 | P281 C282 D286 V287 E288 | P281-Q284 PolarHBondContact O-N 2.97Å; C282-Q284 VanDerWaalsContact C-N 3.28Å; C282-Q284 PolarHBondContact O-N 3.01Å; Q284-D286 PolarHBondContact O-N 3.17Å; Q284-V287 PolarHBondContact O-N 3.38Å; Q284-E288 PolarHBondContact NE2-OE1 2.92Å; Q284-E288 WeakPolarHBondContact O-CB 3.45Å; Q284-E288 WeakPolarHBondContact O-CG 3.49Å; Q284-E288 PolarHBondContact O-N 3.48Å |
| 285 | C | 58.4 | Low | 70.2 | Confident | 70 Ų | 70 | 105.4 Ų | 105.4 | 47% | 0.473 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 178.7 | -68.6 | 0 | 0 | 0 | 0 | 112.9 | P281 C282 W289 | P281-C285 PolarHBondContact O-N 3.12Å; P281-C285 PolarHBondContact O-SG 2.94Å; C282-C285 PolarHBondContact O-N 3.32Å; C285-W289 VanDerWaalsContact O-CB 3.24Å; C285-W289 WeakPolarHBondContact O-CB 3.2Å; C285-W289 PolarHBondContact O-N 3.43Å |
| 286 | D | 67.2 | Low | 71.1 | Confident | 95 Ų | 95 | 104 Ų | 104 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.3 | -44.6 | -179.8 | -68.4 | -23.3 | 0 | 0 | 0 | 111.8 | C282 Q284 W289 I290 | C282-D286 PolarHBondContact O-N 3.1Å; Q284-D286 PolarHBondContact O-N 3.17Å; D286-W289 PolarHBondContact O-N 2.85Å; D286-I290 WeakPolarHBondContact O-CB 3.46Å; D286-I290 WeakPolarHBondContact O-CD1 3.07Å; D286-I290 WeakPolarHBondContact O-CG1 3.32Å; D286-I290 PolarHBondContact O-N 2.86Å |
| 287 | V | 74.4 | Confident | 72.3 | Confident | 97 Ų | 97 | 101.6 Ų | 101.6 | 59% | 0.588 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.5 | -40.6 | 179.1 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | Q284 K291 | Q284-V287 PolarHBondContact O-N 3.38Å; V287-K291 WeakPolarHBondContact O-CB 3.34Å; V287-K291 PolarHBondContact O-N 3.49Å |
| 288 | E | 77.6 | Confident | 73.9 | Confident | 112 Ų | 112 | 102 Ų | 102 | 52% | 0.523 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.7 | -35.9 | 175.9 | -72.8 | -178.7 | -172.5 | 0 | 0 | 112.4 | Q284 K292 | Q284-E288 PolarHBondContact NE2-OE1 2.92Å; Q284-E288 WeakPolarHBondContact O-CB 3.45Å; Q284-E288 WeakPolarHBondContact O-CG 3.49Å; Q284-E288 PolarHBondContact O-N 3.48Å; E288-K292 VanDerWaalsContact O-CB 3.27Å; E288-K292 WeakPolarHBondContact O-CB 3.31Å; E288-K292 PolarHBondContact O-N 2.89Å |
| 289 | W | 79.5 | Confident | 75.8 | Confident | 170 Ų | 170 | 98.7 Ų | 98.7 | 64% | 0.644 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.9 | -47.9 | 173.9 | -177 | 88.4 | 0 | 0 | 0 | 111.9 | C285 D286 K291 K292 V293 | C285-W289 VanDerWaalsContact O-CB 3.24Å; C285-W289 WeakPolarHBondContact O-CB 3.2Å; C285-W289 PolarHBondContact O-N 3.43Å; D286-W289 PolarHBondContact O-N 2.85Å; W289-K291 VanDerWaalsContact C-N 3.31Å; W289-K291 PolarHBondContact O-N 3.01Å; W289-K292 PolarHBondContact O-N 2.97Å; W289-V293 HydrophobicContact CD2-CG2 3.93Å; W289-V293 HydrophobicContact CE3-CG2 4.3Å; W289-V293 HydrophobicContact CG-CG2 4.48Å; W289-V293 HydrophobicContact CH2-CG2 4.11Å; W289-V293 HydrophobicContact CZ2-CG2 3.72Å; W289-V293 HydrophobicContact CZ3-CG2 4.38Å; W289-V293 WeakPolarHBondContact O-CG2 3.33Å; W289-V293 PolarHBondContact O-N 2.82Å |
| 290 | I | 83 | Confident | 77.7 | Confident | 109 Ų | 109 | 97.2 Ų | 97.2 | 56% | 0.559 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -56.3 | -47.3 | 175.8 | -71.4 | 164.7 | 0 | 0 | 0 | 110.2 | D286 V293 G294 | D286-I290 WeakPolarHBondContact O-CB 3.46Å; D286-I290 WeakPolarHBondContact O-CD1 3.07Å; D286-I290 WeakPolarHBondContact O-CG1 3.32Å; D286-I290 PolarHBondContact O-N 2.86Å; I290-V293 PolarHBondContact O-N 3.33Å; I290-G294 PolarHBondContact O-N 2.82Å |
| 291 | K | 89.5 | Confident | 79.8 | Confident | 138 Ų | 138 | 97.7 Ų | 97.7 | 60% | 0.6 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.1 | -48 | 177.1 | -177.9 | 179.1 | 176.2 | -177.7 | 0 | 111.5 | V287 W289 V293 G294 D295 | V287-K291 WeakPolarHBondContact O-CB 3.34Å; V287-K291 PolarHBondContact O-N 3.49Å; W289-K291 VanDerWaalsContact C-N 3.31Å; W289-K291 PolarHBondContact O-N 3.01Å; K291-V293 PolarHBondContact O-N 3.17Å; K291-G294 PolarHBondContact O-N 3.3Å; K291-D295 VanDerWaalsContact O-CG 3.32Å; K291-D295 PolarHBondContact O-N 3Å |
| 292 | K | 91.3 | Very high | 81.9 | Confident | 126 Ų | 126 | 97.5 Ų | 97.5 | 55% | 0.548 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | -179 | -176.4 | 178.4 | 174.6 | -174 | 0 | 112.5 | E288 W289 G294 D295 E296 | E288-K292 VanDerWaalsContact O-CB 3.27Å; E288-K292 WeakPolarHBondContact O-CB 3.31Å; E288-K292 PolarHBondContact O-N 2.89Å; W289-K292 PolarHBondContact O-N 2.97Å; K292-G294 VanDerWaalsContact C-N 3.34Å; K292-D295 PolarHBondContact O-N 3.4Å; K292-E296 WeakPolarHBondContact CE-OE1 3.39Å; K292-E296 WeakPolarHBondContact O-CB 3.37Å; K292-E296 WeakPolarHBondContact O-CG 3.23Å; K292-E296 PolarHBondContact O-N 3.28Å |
| 293 | V | 87.6 | Confident | 83.7 | Confident | 45 Ų | 45 | 96.1 Ų | 96.1 | 27% | 0.273 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 175.7 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | W289 I290 K291 E296 Q297 | W289-V293 HydrophobicContact CD2-CG2 3.93Å; W289-V293 HydrophobicContact CE3-CG2 4.3Å; W289-V293 HydrophobicContact CG-CG2 4.48Å; W289-V293 HydrophobicContact CH2-CG2 4.11Å; W289-V293 HydrophobicContact CZ2-CG2 3.72Å; W289-V293 HydrophobicContact CZ3-CG2 4.38Å; W289-V293 WeakPolarHBondContact O-CG2 3.33Å; W289-V293 PolarHBondContact O-N 2.82Å; I290-V293 PolarHBondContact O-N 3.33Å; K291-V293 PolarHBondContact O-N 3.17Å; V293-E296 PolarHBondContact O-N 3.46Å; V293-Q297 VanDerWaalsContact O-CG 3.3Å; V293-Q297 WeakPolarHBondContact O-CG 3.14Å; V293-Q297 PolarHBondContact O-N 2.89Å |
| 294 | G | 88.9 | Confident | 85.6 | Confident | 33 Ų | 33 | 97.2 Ų | 97.2 | 34% | 0.34 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I290 K291 K292 E296 Q297 V298 | I290-G294 PolarHBondContact O-N 2.82Å; K291-G294 PolarHBondContact O-N 3.3Å; K292-G294 VanDerWaalsContact C-N 3.34Å; G294-E296 VanDerWaalsContact C-N 3.32Å; G294-E296 PolarHBondContact O-N 3.49Å; G294-Q297 PolarHBondContact O-N 3.4Å; G294-V298 WeakPolarHBondContact O-CG2 3.47Å; G294-V298 PolarHBondContact O-N 3.36Å |
| 295 | D | 93.3 | Very high | 87.6 | Confident | 84 Ų | 84 | 95.1 Ų | 95.1 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 175.9 | -69.3 | -23.8 | 0 | 0 | 0 | 111 | K291 K292 V298 N299 | K291-D295 VanDerWaalsContact O-CG 3.32Å; K291-D295 PolarHBondContact O-N 3Å; K292-D295 PolarHBondContact O-N 3.4Å; D295-V298 PolarHBondContact O-N 2.81Å; D295-N299 WeakPolarHBondContact O-CB 3.42Å; D295-N299 VanDerWaalsContact O-CG 3.31Å; D295-N299 PolarHBondContact O-N 3.43Å; D295-N299 PolarHBondContact O-ND2 3.2Å |
| 296 | E | 94.4 | Very high | 89.5 | Confident | 108 Ų | 108 | 98.3 Ų | 98.3 | 51% | 0.505 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 175.7 | -75.8 | 173.5 | -170.3 | 0 | 0 | 112.6 | K292 V293 G294 N299 L300 | K292-E296 WeakPolarHBondContact CE-OE1 3.39Å; K292-E296 WeakPolarHBondContact O-CB 3.37Å; K292-E296 WeakPolarHBondContact O-CG 3.23Å; K292-E296 PolarHBondContact O-N 3.28Å; V293-E296 PolarHBondContact O-N 3.46Å; G294-E296 VanDerWaalsContact C-N 3.32Å; G294-E296 PolarHBondContact O-N 3.49Å; E296-N299 PolarHBondContact O-N 3.47Å; E296-L300 WeakPolarHBondContact O-CB 3.25Å; E296-L300 PolarHBondContact O-N 3.36Å |
| 297 | Q | 93.8 | Very high | 90.9 | Very high | 122 Ų | 122 | 98.7 Ų | 98.7 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.8 | -41.4 | 174.8 | -70.8 | -67.1 | -17.6 | 0 | 0 | 112.4 | V293 G294 L300 A301 | V293-Q297 VanDerWaalsContact O-CG 3.3Å; V293-Q297 WeakPolarHBondContact O-CG 3.14Å; V293-Q297 PolarHBondContact O-N 2.89Å; G294-Q297 PolarHBondContact O-N 3.4Å; Q297-L300 PolarHBondContact O-N 3.01Å; Q297-A301 PolarHBondContact O-N 3.17Å |
| 298 | V | 95.9 | Very high | 91.9 | Very high | 88 Ų | 88 | 98.7 Ų | 98.7 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 175.6 | 172.5 | 0 | 0 | 0 | 0 | 111 | G294 D295 L300 A301 L302 | G294-V298 WeakPolarHBondContact O-CG2 3.47Å; G294-V298 PolarHBondContact O-N 3.36Å; D295-V298 PolarHBondContact O-N 2.81Å; V298-L300 VanDerWaalsContact C-N 3.31Å; V298-L300 PolarHBondContact O-N 2.97Å; V298-A301 PolarHBondContact O-N 3.36Å; V298-L302 HydrophobicContact CG1-CD1 4.23Å; V298-L302 WeakPolarHBondContact O-CG 3.31Å; V298-L302 PolarHBondContact O-N 3.05Å |
| 299 | N | 94.9 | Very high | 92.8 | Very high | 104 Ų | 104 | 99.8 Ų | 99.8 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.6 | -38.5 | 176.1 | -74.9 | -53.7 | 0 | 0 | 0 | 112.2 | D295 E296 L302 A303 | D295-N299 WeakPolarHBondContact O-CB 3.42Å; D295-N299 VanDerWaalsContact O-CG 3.31Å; D295-N299 PolarHBondContact O-N 3.43Å; D295-N299 PolarHBondContact O-ND2 3.2Å; E296-N299 PolarHBondContact O-N 3.47Å; N299-L302 PolarHBondContact O-N 3Å; N299-A303 WeakPolarHBondContact O-CB 3.42Å; N299-A303 PolarHBondContact O-N 2.72Å |
| 300 | L | 95.6 | Very high | 93.6 | Very high | 82 Ų | 82 | 96.2 Ų | 96.2 | 43% | 0.429 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 175.8 | -176.7 | 60.4 | 0 | 0 | 0 | 111.8 | E296 Q297 V298 A303 Y304 | E296-L300 WeakPolarHBondContact O-CB 3.25Å; E296-L300 PolarHBondContact O-N 3.36Å; Q297-L300 PolarHBondContact O-N 3.01Å; V298-L300 VanDerWaalsContact C-N 3.31Å; V298-L300 PolarHBondContact O-N 2.97Å; L300-A303 PolarHBondContact O-N 2.82Å; L300-Y304 HydrophobicContact CD1-CD2 3.98Å; L300-Y304 HydrophobicContact CD1-CE2 3.59Å; L300-Y304 HydrophobicContact CD2-CE2 4.26Å; L300-Y304 HydrophobicContact CG-CD2 3.93Å; L300-Y304 HydrophobicContact CG-CE2 3.72Å; L300-Y304 VanDerWaalsContact O-CD2 3.25Å; L300-Y304 WeakPolarHBondContact O-CD2 3.38Å; L300-Y304 PolarHBondContact O-N 3.45Å |
| 301 | A | 93.7 | Very high | 94.3 | Very high | 54 Ų | 54 | 94.1 Ų | 94.1 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q297 V298 Y304 T305 | Q297-A301 PolarHBondContact O-N 3.17Å; V298-A301 PolarHBondContact O-N 3.36Å; A301-Y304 PolarHBondContact O-N 2.94Å; A301-T305 PolarHBondContact O-N 2.79Å; A301-T305 PolarHBondContact O-OG1 3.43Å |
| 302 | L | 96.6 | Very high | 94.5 | Very high | 92 Ų | 92 | 89.1 Ų | 89.1 | 48% | 0.482 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 173.2 | -70.5 | 172.1 | 0 | 0 | 0 | 111.4 | V298 N299 Y304 T305 E306 | V298-L302 HydrophobicContact CG1-CD1 4.23Å; V298-L302 WeakPolarHBondContact O-CG 3.31Å; V298-L302 PolarHBondContact O-N 3.05Å; N299-L302 PolarHBondContact O-N 3Å; L302-Y304 VanDerWaalsContact C-N 3.34Å; L302-Y304 PolarHBondContact O-N 3.42Å; L302-T305 WeakPolarHBondContact O-CA 3.5Å; L302-T305 WeakPolarHBondContact O-CB 3.37Å; L302-T305 PolarHBondContact O-N 3.15Å; L302-E306 PolarHBondContact O-N 2.84Å |
| 303 | A | 95.1 | Very high | 94.8 | Very high | 50 Ų | 50 | 91.1 Ų | 91.1 | 41% | 0.413 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | N299 L300 T305 L307 | N299-A303 WeakPolarHBondContact O-CB 3.42Å; N299-A303 PolarHBondContact O-N 2.72Å; L300-A303 PolarHBondContact O-N 2.82Å; A303-T305 VanDerWaalsContact C-N 3.33Å; A303-L307 VanDerWaalsContact O-CB 3.31Å; A303-L307 WeakPolarHBondContact O-CB 3.24Å; A303-L307 PolarHBondContact O-N 2.88Å |
| 304 | Y | 93.8 | Very high | 95.3 | Very high | 146 Ų | 146 | 93.3 Ų | 93.3 | 57% | 0.573 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.5 | -34.8 | 172.1 | -84.5 | -63.4 | 0 | 0 | 0 | 112.7 | L300 A301 L302 T308 | L300-Y304 HydrophobicContact CD1-CD2 3.98Å; L300-Y304 HydrophobicContact CD1-CE2 3.59Å; L300-Y304 HydrophobicContact CD2-CE2 4.26Å; L300-Y304 HydrophobicContact CG-CD2 3.93Å; L300-Y304 HydrophobicContact CG-CE2 3.72Å; L300-Y304 VanDerWaalsContact O-CD2 3.25Å; L300-Y304 WeakPolarHBondContact O-CD2 3.38Å; L300-Y304 PolarHBondContact O-N 3.45Å; A301-Y304 PolarHBondContact O-N 2.94Å; L302-Y304 VanDerWaalsContact C-N 3.34Å; L302-Y304 PolarHBondContact O-N 3.42Å; Y304-T308 WeakPolarHBondContact O-CB 3.43Å; Y304-T308 PolarHBondContact O-N 3.44Å; Y304-T308 PolarHBondContact O-OG1 2.93Å |
| 305 | T | 96.1 | Very high | 95.6 | Very high | 72 Ų | 72 | 97.8 Ų | 97.8 | 44% | 0.442 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.5 | -50.5 | 176.6 | -53.8 | 0 | 0 | 0 | 0 | 110.5 | A301 L302 A303 L307 T308 E309 | A301-T305 PolarHBondContact O-N 2.79Å; A301-T305 PolarHBondContact O-OG1 3.43Å; L302-T305 WeakPolarHBondContact O-CA 3.5Å; L302-T305 WeakPolarHBondContact O-CB 3.37Å; L302-T305 PolarHBondContact O-N 3.15Å; A303-T305 VanDerWaalsContact C-N 3.33Å; T305-L307 VanDerWaalsContact C-N 3.33Å; T305-L307 PolarHBondContact O-N 2.97Å; T305-T308 WeakPolarHBondContact O-CB 3.22Å; T305-T308 PolarHBondContact O-N 3.45Å; T305-T308 VanDerWaalsContact O-N 3.08Å; T305-E309 PolarHBondContact O-N 3.36Å |
| 306 | E | 96.8 | Very high | 95.7 | Very high | 137 Ų | 137 | 96.2 Ų | 96.2 | 64% | 0.64 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -56.8 | -44.3 | 175.6 | -70 | 179.5 | -177.1 | 0 | 0 | 112.1 | L302 T308 E309 E310 | L302-E306 PolarHBondContact O-N 2.84Å; E306-T308 VanDerWaalsContact C-N 3.33Å; E306-T308 PolarHBondContact O-N 3.43Å; E306-E309 PolarHBondContact O-N 2.9Å; E306-E310 PolarHBondContact O-N 2.82Å |
| 307 | L | 97.1 | Very high | 95.8 | Very high | 103 Ų | 103 | 95.9 Ų | 95.9 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 176 | 180 | 61.7 | 0 | 0 | 0 | 112 | A303 T305 E310 V311 | A303-L307 VanDerWaalsContact O-CB 3.31Å; A303-L307 WeakPolarHBondContact O-CB 3.24Å; A303-L307 PolarHBondContact O-N 2.88Å; T305-L307 VanDerWaalsContact C-N 3.33Å; T305-L307 PolarHBondContact O-N 2.97Å; L307-E310 PolarHBondContact O-N 3.06Å; L307-V311 HydrophobicContact CD1-CG2 4.44Å; L307-V311 WeakPolarHBondContact O-CB 3.5Å; L307-V311 VanDerWaalsContact O-CG2 3.28Å; L307-V311 WeakPolarHBondContact O-CG2 3.37Å; L307-V311 PolarHBondContact O-N 3.37Å |
| 308 | T | 95.5 | Very high | 95.9 | Very high | 98 Ų | 98 | 93.5 Ų | 93.5 | 60% | 0.601 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.5 | -41.5 | 178.3 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | Y304 T305 E306 G312 | Y304-T308 WeakPolarHBondContact O-CB 3.43Å; Y304-T308 PolarHBondContact O-N 3.44Å; Y304-T308 PolarHBondContact O-OG1 2.93Å; T305-T308 WeakPolarHBondContact O-CB 3.22Å; T305-T308 PolarHBondContact O-N 3.45Å; T305-T308 VanDerWaalsContact O-N 3.08Å; E306-T308 VanDerWaalsContact C-N 3.33Å; E306-T308 PolarHBondContact O-N 3.43Å; T308-G312 PolarHBondContact O-N 3.44Å |
| 309 | E | 97 | Very high | 95.8 | Very high | 134 Ų | 134 | 93 Ų | 93 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.1 | -44.8 | 174.8 | -71.2 | -173 | -177.1 | 0 | 0 | 112.1 | T305 E306 G312 R313 | T305-E309 PolarHBondContact O-N 3.36Å; E306-E309 PolarHBondContact O-N 2.9Å; E309-G312 CarbonylContact O-C 3.59Å; E309-G312 WeakPolarHBondContact O-CA 3.47Å; E309-G312 PolarHBondContact O-N 2.83Å; E309-G312 VanDerWaalsContact O-N 3.12Å; E309-R313 WeakPolarHBondContact O-CG 3.34Å; E309-R313 PolarHBondContact O-N 3.05Å |
| 310 | E | 96.9 | Very high | 95.8 | Very high | 95 Ų | 95 | 94.6 Ų | 94.6 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.5 | -37.3 | 179.6 | -169.6 | 57.5 | -152.9 | 0 | 0 | 112 | E306 L307 G312 R313 L314 | E306-E310 PolarHBondContact O-N 2.82Å; L307-E310 PolarHBondContact O-N 3.06Å; E310-G312 VanDerWaalsContact C-N 3.29Å; E310-G312 PolarHBondContact O-N 2.92Å; E310-R313 PolarHBondContact O-N 2.96Å; E310-R313 WeakPolarHBondContact OE2-CD 3.2Å; E310-L314 WeakPolarHBondContact O-CB 3.43Å; E310-L314 WeakPolarHBondContact O-CG 3.38Å; E310-L314 PolarHBondContact O-N 3.42Å |
| 311 | V | 95.9 | Very high | 95.8 | Very high | 65 Ų | 65 | 96.5 Ų | 96.5 | 39% | 0.394 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.2 | -41.5 | 168.9 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | L307 L314 Q315 | L307-V311 HydrophobicContact CD1-CG2 4.44Å; L307-V311 WeakPolarHBondContact O-CB 3.5Å; L307-V311 VanDerWaalsContact O-CG2 3.28Å; L307-V311 WeakPolarHBondContact O-CG2 3.37Å; L307-V311 PolarHBondContact O-N 3.37Å; V311-L314 PolarHBondContact O-N 3.34Å; V311-Q315 WeakPolarHBondContact O-CG 3.4Å; V311-Q315 PolarHBondContact O-N 2.99Å |
| 312 | G | 95.2 | Very high | 95.8 | Very high | 33 Ų | 33 | 98.3 Ų | 98.3 | 34% | 0.34 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T308 E309 E310 Q315 A316 | T308-G312 PolarHBondContact O-N 3.44Å; E309-G312 CarbonylContact O-C 3.59Å; E309-G312 WeakPolarHBondContact O-CA 3.47Å; E309-G312 PolarHBondContact O-N 2.83Å; E309-G312 VanDerWaalsContact O-N 3.12Å; E310-G312 VanDerWaalsContact C-N 3.29Å; E310-G312 PolarHBondContact O-N 2.92Å; G312-Q315 PolarHBondContact O-N 2.88Å; G312-A316 WeakPolarHBondContact O-CB 3.4Å; G312-A316 PolarHBondContact O-N 3.09Å |
| 313 | R | 96.9 | Very high | 95.6 | Very high | 168 Ų | 168 | 97 Ų | 97 | 63% | 0.634 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 174.4 | -67.6 | -173.9 | 76.7 | 90 | -2.2 | 111.8 | E309 E310 A316 L317 | E309-R313 WeakPolarHBondContact O-CG 3.34Å; E309-R313 PolarHBondContact O-N 3.05Å; E310-R313 PolarHBondContact O-N 2.96Å; E310-R313 WeakPolarHBondContact OE2-CD 3.2Å; R313-A316 PolarHBondContact O-N 3.3Å; R313-L317 WeakPolarHBondContact O-CG 3.44Å; R313-L317 PolarHBondContact O-N 2.72Å |
| 314 | L | 97.5 | Very high | 95.5 | Very high | 92 Ų | 92 | 100.1 Ų | 100.1 | 48% | 0.482 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 176.6 | -72.2 | 170.8 | 0 | 0 | 0 | 111.6 | E310 V311 A316 L317 C318 | E310-L314 WeakPolarHBondContact O-CB 3.43Å; E310-L314 WeakPolarHBondContact O-CG 3.38Å; E310-L314 PolarHBondContact O-N 3.42Å; V311-L314 PolarHBondContact O-N 3.34Å; L314-A316 VanDerWaalsContact C-N 3.34Å; L314-A316 PolarHBondContact O-N 3.33Å; L314-L317 PolarHBondContact O-N 2.86Å; L314-C318 WeakPolarHBondContact O-CB 3.42Å; L314-C318 PolarHBondContact O-N 3.26Å; L314-C318 PolarHBondContact O-SG 3.27Å; L314-C318 VanDerWaalsContact O-SG 3.36Å |
| 315 | Q | 96.1 | Very high | 95.4 | Very high | 127 Ų | 127 | 98.3 Ų | 98.3 | 59% | 0.593 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.7 | -40.9 | 174.4 | -73.4 | 176.1 | 1.9 | 0 | 0 | 112.3 | V311 G312 C318 S319 | V311-Q315 WeakPolarHBondContact O-CG 3.4Å; V311-Q315 PolarHBondContact O-N 2.99Å; G312-Q315 PolarHBondContact O-N 2.88Å; Q315-C318 PolarHBondContact O-N 3.18Å; Q315-S319 WeakPolarHBondContact O-CB 3.42Å; Q315-S319 PolarHBondContact O-N 3.42Å; Q315-S319 PolarHBondContact O-OG 2.89Å |
| 316 | A | 95.7 | Very high | 95.2 | Very high | 50 Ų | 50 | 99.9 Ų | 99.9 | 41% | 0.413 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67 | -36.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G312 R313 L314 K320 | G312-A316 WeakPolarHBondContact O-CB 3.4Å; G312-A316 PolarHBondContact O-N 3.09Å; R313-A316 PolarHBondContact O-N 3.3Å; L314-A316 VanDerWaalsContact C-N 3.34Å; L314-A316 PolarHBondContact O-N 3.33Å; A316-K320 WeakPolarHBondContact O-CG 3.43Å; A316-K320 PolarHBondContact O-N 3.28Å |
| 317 | L | 96.3 | Very high | 94.7 | Very high | 102 Ų | 102 | 99.1 Ų | 99.1 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.2 | -46.9 | 173.3 | -73.3 | 172 | 0 | 0 | 0 | 111.7 | R313 L314 S319 K320 Q321 | R313-L317 WeakPolarHBondContact O-CG 3.44Å; R313-L317 PolarHBondContact O-N 2.72Å; L314-L317 PolarHBondContact O-N 2.86Å; L317-S319 VanDerWaalsContact C-N 3.29Å; L317-S319 PolarHBondContact O-N 3.11Å; L317-K320 PolarHBondContact O-N 2.75Å; L317-Q321 PolarHBondContact O-N 3.47Å |
| 318 | C | 95.1 | Very high | 93.9 | Very high | 71 Ų | 71 | 97.9 Ų | 97.9 | 48% | 0.48 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.9 | -39.9 | 174.5 | -73 | 0 | 0 | 0 | 0 | 112.2 | L314 Q315 Q321 T322 | L314-C318 WeakPolarHBondContact O-CB 3.42Å; L314-C318 PolarHBondContact O-N 3.26Å; L314-C318 PolarHBondContact O-SG 3.27Å; L314-C318 VanDerWaalsContact O-SG 3.36Å; Q315-C318 PolarHBondContact O-N 3.18Å; C318-Q321 PolarHBondContact O-N 2.77Å; C318-T322 WeakPolarHBondContact O-CB 3.45Å; C318-T322 PolarHBondContact O-N 2.86Å; C318-T322 PolarHBondContact O-OG1 3.3Å |
| 319 | S | 94 | Very high | 93 | Very high | 77 Ų | 77 | 97.4 Ų | 97.4 | 54% | 0.538 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 175.4 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | Q315 L317 T322 E323 | Q315-S319 WeakPolarHBondContact O-CB 3.42Å; Q315-S319 PolarHBondContact O-N 3.42Å; Q315-S319 PolarHBondContact O-OG 2.89Å; L317-S319 VanDerWaalsContact C-N 3.29Å; L317-S319 PolarHBondContact O-N 3.11Å; S319-T322 PolarHBondContact O-N 3.1Å; S319-E323 WeakPolarHBondContact O-CB 3.34Å; S319-E323 PolarHBondContact O-N 2.98Å |
| 320 | K | 96.1 | Very high | 91.5 | Very high | 139 Ų | 139 | 96.9 Ų | 96.9 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.7 | -41.1 | 173.8 | -74 | 174 | -179.4 | 178.5 | 0 | 112.3 | A316 L317 E323 I324 | A316-K320 WeakPolarHBondContact O-CG 3.43Å; A316-K320 PolarHBondContact O-N 3.28Å; L317-K320 PolarHBondContact O-N 2.75Å; K320-E323 PolarHBondContact O-N 2.86Å; K320-I324 VanDerWaalsContact O-CG1 3.28Å; K320-I324 WeakPolarHBondContact O-CG1 3.41Å; K320-I324 PolarHBondContact O-N 2.9Å |
| 321 | Q | 94.8 | Very high | 89.2 | Confident | 121 Ų | 121 | 100.7 Ų | 100.7 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.3 | -45.4 | 176.9 | -176.7 | 176.8 | -8.3 | 0 | 0 | 111.3 | L317 C318 E323 I324 L325 | L317-Q321 PolarHBondContact O-N 3.47Å; C318-Q321 PolarHBondContact O-N 2.77Å; Q321-E323 VanDerWaalsContact C-N 3.33Å; Q321-E323 PolarHBondContact O-N 2.92Å; Q321-I324 PolarHBondContact O-N 3.37Å; Q321-L325 HydrophobicContact CG-CD1 4.25Å; Q321-L325 WeakPolarHBondContact O-CG 3.3Å; Q321-L325 PolarHBondContact O-N 3.09Å |
| 322 | T | 92.7 | Very high | 87.1 | Confident | 93 Ų | 93 | 103 Ų | 103 | 57% | 0.571 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.3 | -43.1 | 174.4 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | C318 S319 L325 R326 | C318-T322 WeakPolarHBondContact O-CB 3.45Å; C318-T322 PolarHBondContact O-N 2.86Å; C318-T322 PolarHBondContact O-OG1 3.3Å; S319-T322 PolarHBondContact O-N 3.1Å; T322-L325 PolarHBondContact O-N 3.47Å; T322-R326 WeakPolarHBondContact O-CB 3.39Å; T322-R326 PolarHBondContact O-N 3.29Å |
| 323 | E | 93.4 | Very high | 85.2 | Confident | 64 Ų | 64 | 106.2 Ų | 106.2 | 30% | 0.299 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.9 | -36.2 | 177.5 | 174.8 | 58.4 | -168 | 0 | 0 | 113.1 | S319 K320 Q321 R326 K327 | S319-E323 WeakPolarHBondContact O-CB 3.34Å; S319-E323 PolarHBondContact O-N 2.98Å; K320-E323 PolarHBondContact O-N 2.86Å; Q321-E323 VanDerWaalsContact C-N 3.33Å; Q321-E323 PolarHBondContact O-N 2.92Å; E323-R326 VanDerWaalsContact CD-NH2 3.28Å; E323-R326 IonicContact OE1-CZ 3.35Å; E323-R326 IonicContact OE1-NH2 2.81Å; E323-R326 PolarHBondContact OE1-NH2 3.43Å; E323-R326 IonicContact OE2-CZ 2.71Å; E323-R326 VanDerWaalsContact OE2-CZ 3.28Å; E323-R326 IonicContact OE2-NE 2.65Å; E323-R326 PolarHBondContact OE2-NE 3.01Å; E323-R326 IonicContact OE2-NH2 3.77Å; E323-R326 PolarHBondContact OE2-NH2 3.18Å; E323-K327 HydrophobicContact CG-CD 4.45Å; E323-K327 WeakPolarHBondContact O-CB 3.43Å; E323-K327 WeakPolarHBondContact O-CG 3.47Å; E323-K327 PolarHBondContact O-N 3.23Å; E323-K327 WeakPolarHBondContact OE1-CE 3.32Å; E323-K327 IonicContact OE1-NZ 3.19Å; E323-K327 PolarHBondContact OE1-NZ 2.76Å |
| 324 | I | 93.4 | Very high | 82.4 | Confident | 115 Ų | 115 | 103.6 Ų | 103.6 | 59% | 0.59 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.3 | -46.6 | 172.6 | -70.5 | 163.5 | 0 | 0 | 0 | 110.4 | K320 Q321 R326 K327 A328 | K320-I324 VanDerWaalsContact O-CG1 3.28Å; K320-I324 WeakPolarHBondContact O-CG1 3.41Å; K320-I324 PolarHBondContact O-N 2.9Å; Q321-I324 PolarHBondContact O-N 3.37Å; I324-R326 VanDerWaalsContact C-N 3.33Å; I324-R326 PolarHBondContact O-N 2.89Å; I324-K327 PolarHBondContact O-N 3.33Å; I324-A328 WeakPolarHBondContact O-CB 3.49Å; I324-A328 PolarHBondContact O-N 3.09Å |
| 325 | L | 91.5 | Very high | 80.1 | Confident | 109 Ų | 109 | 104.5 Ų | 104.5 | 57% | 0.571 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.7 | -41.4 | 177.1 | -70.1 | 169.8 | 0 | 0 | 0 | 111.6 | Q321 T322 K327 A328 A329 | Q321-L325 HydrophobicContact CG-CD1 4.25Å; Q321-L325 WeakPolarHBondContact O-CG 3.3Å; Q321-L325 PolarHBondContact O-N 3.09Å; T322-L325 PolarHBondContact O-N 3.47Å; L325-K327 VanDerWaalsContact C-N 3.35Å; L325-K327 PolarHBondContact O-N 2.98Å; L325-A328 PolarHBondContact O-N 3Å; L325-A329 WeakPolarHBondContact O-CB 3.39Å; L325-A329 PolarHBondContact O-N 3.4Å |
| 326 | R | 90.9 | Very high | 77.5 | Confident | 104 Ų | 104 | 104.5 Ų | 104.5 | 39% | 0.392 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.1 | -39.7 | 175.3 | -167.8 | -168.5 | 67.7 | 70.7 | 3.8 | 112.2 | T322 E323 I324 Q330 | T322-R326 WeakPolarHBondContact O-CB 3.39Å; T322-R326 PolarHBondContact O-N 3.29Å; E323-R326 VanDerWaalsContact CD-NH2 3.28Å; E323-R326 IonicContact OE1-CZ 3.35Å; E323-R326 IonicContact OE1-NH2 2.81Å; E323-R326 PolarHBondContact OE1-NH2 3.43Å; E323-R326 IonicContact OE2-CZ 2.71Å; E323-R326 VanDerWaalsContact OE2-CZ 3.28Å; E323-R326 IonicContact OE2-NE 2.65Å; E323-R326 PolarHBondContact OE2-NE 3.01Å; E323-R326 IonicContact OE2-NH2 3.77Å; E323-R326 PolarHBondContact OE2-NH2 3.18Å; I324-R326 VanDerWaalsContact C-N 3.33Å; I324-R326 PolarHBondContact O-N 2.89Å; R326-Q330 VanDerWaalsContact NH1-CD 3.25Å; R326-Q330 WeakPolarHBondContact O-CB 3.21Å; R326-Q330 WeakPolarHBondContact O-CG 3.08Å; R326-Q330 PolarHBondContact O-N 2.89Å |
| 327 | K | 87.4 | Confident | 74.6 | Confident | 122 Ų | 122 | 111.1 Ų | 111.1 | 53% | 0.53 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -69.4 | -43.2 | 175.1 | -82.2 | 169.1 | 163.5 | 140.3 | 0 | 112.5 | E323 I324 L325 A329 Q330 | E323-K327 HydrophobicContact CG-CD 4.45Å; E323-K327 WeakPolarHBondContact O-CB 3.43Å; E323-K327 WeakPolarHBondContact O-CG 3.47Å; E323-K327 PolarHBondContact O-N 3.23Å; E323-K327 WeakPolarHBondContact OE1-CE 3.32Å; E323-K327 IonicContact OE1-NZ 3.19Å; E323-K327 PolarHBondContact OE1-NZ 2.76Å; I324-K327 PolarHBondContact O-N 3.33Å; L325-K327 VanDerWaalsContact C-N 3.35Å; L325-K327 PolarHBondContact O-N 2.98Å; K327-A329 PolarHBondContact O-N 3.07Å; K327-Q330 PolarHBondContact O-N 3.48Å |
| 328 | A | 78.5 | Confident | 71.9 | Confident | 76 Ų | 76 | 113 Ų | 113 | 63% | 0.628 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.1 | -32.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I324 L325 Q330 | I324-A328 WeakPolarHBondContact O-CB 3.49Å; I324-A328 PolarHBondContact O-N 3.09Å; L325-A328 PolarHBondContact O-N 3Å; A328-Q330 VanDerWaalsContact C-N 3.3Å; A328-Q330 PolarHBondContact O-N 2.81Å |
| 329 | A | 77 | Confident | 68.9 | Low | 88 Ų | 88 | 118.1 Ų | 118.1 | 73% | 0.727 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -5.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L325 K327 | L325-A329 WeakPolarHBondContact O-CB 3.39Å; L325-A329 PolarHBondContact O-N 3.4Å; K327-A329 PolarHBondContact O-N 3.07Å |
| 330 | Q | 66.1 | Low | 66.1 | Low | 124 Ų | 124 | 119.8 Ų | 119.8 | 58% | 0.579 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 6 | -177.5 | -83.6 | -170.8 | -8.4 | 0 | 0 | 114.6 | R326 K327 A328 P332 | R326-Q330 VanDerWaalsContact NH1-CD 3.25Å; R326-Q330 WeakPolarHBondContact O-CB 3.21Å; R326-Q330 WeakPolarHBondContact O-CG 3.08Å; R326-Q330 PolarHBondContact O-N 2.89Å; K327-Q330 PolarHBondContact O-N 3.48Å; A328-Q330 VanDerWaalsContact C-N 3.3Å; A328-Q330 PolarHBondContact O-N 2.81Å; Q330-P332 WeakPolarHBondContact O-CD 3.48Å |
| 331 | E | 48.3 | Very low | 63.8 | Low | 175 Ų | 175 | 118.3 Ų | 118.3 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 123.1 | 169.5 | -98.8 | -147.3 | 138.4 | 0 | 0 | 110.2 | ||
| 332 | P | 52 | Low | 61.1 | Low | 113 Ų | 113 | 119.7 Ų | 119.7 | 73% | 0.734 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 135.1 | -165.4 | 31.3 | -34.8 | 0 | 0 | 0 | 112.5 | Q330 | Q330-P332 WeakPolarHBondContact O-CD 3.48Š|
| 333 | A | 54.8 | Low | 58.2 | Low | 101 Ų | 101 | 122.4 Ų | 122.4 | 84% | 0.835 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 135.9 | 158.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 334 | S | 39 | Very low | 55.4 | Low | 113 Ų | 113 | 126.9 Ų | 126.9 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | trans | -146.9 | 152.6 | 163.4 | -103.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 335 | P | 49.2 | Very low | 52.8 | Low | 111 Ų | 111 | 130.2 Ų | 130.2 | 72% | 0.721 | 72% | 0.718 | S | S | * | * | -111.2 | 148.4 | -124.9 | 4.4 | 16.8 | 0 | 0 | 0 | 114.9 | |||||
| 336 | V | 40.9 | Very low | 49.9 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | trans | 46.6 | 104.6 | 142.2 | -172.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 337 | Q | 35.1 | Very low | 47.2 | Very low | 190 Ų | 190 | 140 Ų | 140 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | -151.8 | 137.8 | 119.5 | -113.3 | 163.6 | 16.6 | 0 | 0 | 113.4 | |||||
| 338 | L | 39.9 | Very low | 44.6 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | -51.9 | 139.4 | -178.8 | -62.7 | 141.3 | 0 | 0 | 0 | 112.3 | ||||
| 339 | H | 30.8 | Very low | 43 | Very low | 177 Ų | 177 | 142 Ų | 142 | 82% | 0.819 | 78% | 0.776 | S | S | * | * | 176.8 | 127.6 | 103.1 | -89.5 | 90 | 0 | 0 | 0 | 111.3 | |||||
| 340 | S | 36.7 | Very low | 41 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -99.4 | 146 | 149.6 | -69.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 341 | P | 47 | Very low | 39.4 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | -146 | 153.9 | 68.8 | 36.1 | -16.6 | 0 | 0 | 0 | 117.5 | |||||
| 342 | I | 38.4 | Very low | 38.6 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | trans | 36.6 | 123.9 | 132 | -48.5 | 167.4 | 0 | 0 | 0 | 117.4 | ||||
| 343 | H | 32 | Very low | 37.5 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 69% | 0.69 | 78% | 0.775 | S | S | * | * | 173.7 | 159.4 | 103.1 | -140.1 | -70.1 | 0 | 0 | 0 | 114.5 | |||||
| 344 | H | 34.9 | Very low | 36.5 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | 54.6 | 107.4 | 156.4 | 39.9 | -122.3 | 0 | 0 | 0 | 123 | ||||
| 345 | Q | 38.3 | Very low | 36.2 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -34.8 | 124.3 | 142.5 | 172.8 | -165.6 | 80.6 | 0 | 0 | 115.4 | ||||
| 346 | R | 29.6 | Very low | 36.2 | Very low | 242 Ų | 242 | 147 Ų | 147 | 91% | 0.913 | 77% | 0.769 | S | S | * | * | trans | -164.5 | 148.6 | 139.4 | -110.4 | -166.7 | -140.4 | -99.8 | 4.2 | 112.2 | ||||
| 347 | H | 35.9 | Very low | 35.7 | Very low | 177 Ų | 177 | 148.8 Ų | 148.8 | 82% | 0.819 | 77% | 0.773 | S | S | * | * | trans | -82.5 | 150.5 | 176.3 | -63.9 | -98.1 | 0 | 0 | 0 | 113.1 | ||||
| 348 | S | 32.9 | Very low | 36.1 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 157 | 163 | 140.9 | -77.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 349 | P | 43.4 | Very low | 35.5 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | cis | -130.7 | 177.5 | -19.4 | 32.1 | -12.5 | 0 | 0 | 0 | 114.1 | ||||
| 350 | V | 36.5 | Very low | 35.4 | Very low | 141 Ų | 141 | 147.5 Ų | 147.5 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | -98.4 | 134.6 | 166 | 158.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 351 | S | 31 | Very low | 35.1 | Very low | 96 Ų | 96 | 150.1 Ų | 150.1 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | trans | 166.2 | 137.8 | 159.1 | -91 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 352 | Q | 31.3 | Very low | 34.7 | Very low | 140 Ų | 140 | 150.4 Ų | 150.4 | 65% | 0.654 | 77% | 0.771 | S | S | * | * | cis | -163.8 | 164 | 18.8 | -100.5 | 159.2 | 46.6 | 0 | 0 | 105.6 | ||||
| 353 | R | 30.6 | Very low | 34.8 | Very low | 169 Ų | 169 | 148.7 Ų | 148.7 | 64% | 0.638 | 77% | 0.769 | S | S | * | * | cis | -171.8 | 157.4 | 23.2 | -121.8 | 163.9 | -153.4 | -86 | 9.2 | 111.8 | ||||
| 354 | H | 33 | Very low | 34.8 | Very low | 169 Ų | 169 | 148 Ų | 148 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | trans | 70 | 92.5 | 147.1 | -55 | 152.7 | 0 | 0 | 0 | 123.2 | ||||
| 355 | S | 32.5 | Very low | 35.1 | Very low | 110 Ų | 110 | 145.8 Ų | 145.8 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | -1.6 | 174.6 | 120.5 | -35.9 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 356 | P | 48.9 | Very low | 35.3 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | -145.9 | -169.7 | -51.4 | 42.7 | -23.9 | 0 | 0 | 0 | 115.5 | |||||
| 357 | I | 31.3 | Very low | 35.3 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | trans | 91.1 | 136.6 | 156.6 | -65.4 | 164 | 0 | 0 | 0 | 120.2 | ||||
| 358 | S | 42.3 | Very low | 35 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | trans | -87.5 | 159.5 | -169.5 | -26.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 359 | Q | 28.4 | Very low | 35 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -149.6 | 129.9 | 144.7 | -74.7 | -150.2 | 35.9 | 0 | 0 | 115.6 | ||||
| 360 | R | 28.1 | Very low | 34.8 | Very low | 201 Ų | 201 | 135.6 Ų | 135.6 | 76% | 0.758 | 74% | 0.743 | S | S | * | * | trans | 39.8 | 119.9 | 142.5 | -59.4 | -165.2 | -168.5 | -94.8 | 6.7 | 124.6 | ||||
| 361 | H | 31.6 | Very low | 34.6 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 78% | 0.778 | 74% | 0.742 | S | S | * | * | 58 | 142.1 | 120.5 | -55 | -61.3 | 0 | 0 | 0 | 124.7 | |||||
| 362 | S | 38.6 | Very low | 34.8 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | -67.4 | 170.5 | -179.1 | -32.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 363 | P | 40.4 | Very low | 35.3 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | -145.5 | 164.2 | 93.5 | 39.7 | -25.8 | 0 | 0 | 0 | 115.9 | |||||
| 364 | V | 31.6 | Very low | 35.3 | Very low | 136 Ų | 136 | 144.6 Ų | 144.6 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | 171.5 | 125.3 | 136.3 | 162.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 365 | P | 40.3 | Very low | 35.5 | Very low | 111 Ų | 111 | 147.7 Ų | 147.7 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | trans | -123.7 | -173.8 | 149.5 | 44.2 | -33.3 | 0 | 0 | 0 | 109.5 | ||||
| 366 | P | 42.8 | Very low | 35.5 | Very low | 93 Ų | 93 | 147.7 Ų | 147.7 | 60% | 0.604 | 77% | 0.771 | S | S | * | * | cis | -145.7 | 173.5 | 4.5 | 47.7 | -30.4 | 0 | 0 | 0 | 118.2 | ||||
| 367 | H | 30.3 | Very low | 35 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | 56 | 164.2 | 152.4 | -44.6 | -48.4 | 0 | 0 | 0 | 120.9 | ||||
| 368 | H | 30 | Very low | 35.1 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | cis | -148.8 | 136.5 | 13.1 | -105 | -61.3 | 0 | 0 | 0 | 113.8 | ||||
| 369 | S | 31.8 | Very low | 34.7 | Very low | 100 Ų | 100 | 149.2 Ų | 149.2 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | 75.2 | 155 | 134.3 | -54.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 370 | P | 39.3 | Very low | 35.2 | Very low | 120 Ų | 120 | 149.6 Ų | 149.6 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | cis | -129 | 150 | -42 | 37.6 | -23.7 | 0 | 0 | 0 | 113.3 | ||||
| 371 | I | 32.4 | Very low | 35.3 | Very low | 162 Ų | 162 | 150.9 Ų | 150.9 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 119.8 | 171.4 | -66.9 | 166.9 | 0 | 0 | 0 | 109.2 | ||
| 372 | Q | 34.6 | Very low | 35.4 | Very low | 172 Ų | 172 | 151.2 Ų | 151.2 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 121.4 | 159.6 | -78.8 | -156.4 | -12 | 0 | 0 | 109.9 | R374 | Q372-R374 PolarHBondContact O-N 3.33Š|
| 373 | Q | 42.6 | Very low | 35.1 | Very low | 176 Ų | 176 | 151.3 Ų | 151.3 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69 | 122.4 | 168.5 | -66.6 | -174.6 | -13.4 | 0 | 0 | 109.8 | ||
| 374 | R | 31.3 | Very low | 35.1 | Very low | 225 Ų | 225 | 151.7 Ų | 151.7 | 85% | 0.849 | 79% | 0.793 | S | S | * | * | trans | -111.7 | 119.4 | 150.4 | -79.9 | -166.7 | 178.1 | -91.3 | 0.4 | 109.4 | Q372 | Q372-R374 PolarHBondContact O-N 3.33Š| ||
| 375 | R | 35.7 | Very low | 35.1 | Very low | 235 Ų | 235 | 151.3 Ų | 151.3 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 125.8 | 161.8 | -69 | 177 | 170.7 | -165.9 | -3.4 | 107.8 | ||
| 376 | S | 32.8 | Very low | 34.8 | Very low | 109 Ų | 109 | 153.9 Ų | 153.9 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 120.4 | 164.5 | -56.6 | 0 | 0 | 0 | 0 | 108.9 | V378 | S376-V378 PolarHBondContact O-N 3.48Š|
| 377 | P | 37.8 | Very low | 34.6 | Very low | 118 Ų | 118 | 157.3 Ų | 157.3 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 123.2 | 165.4 | -10.1 | 26.8 | 0 | 0 | 0 | 108.8 | L379 | P377-L379 PolarHBondContact O-N 2.84Š|
| 378 | V | 34.9 | Very low | 34.6 | Very low | 127 Ų | 127 | 161.5 Ų | 161.5 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 116.6 | 167.1 | 172.3 | 0 | 0 | 0 | 0 | 107.9 | S376 Q380 | S376-V378 PolarHBondContact O-N 3.48Å; V378-Q380 HydrophobicContact CG1-CG 4.47Å |
| 379 | L | 32.3 | Very low | 34.7 | Very low | 162 Ų | 162 | 165.2 Ų | 165.2 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -112 | 107.4 | 163.5 | -78.3 | 177.8 | 0 | 0 | 0 | 109.3 | P377 R381 | P377-L379 PolarHBondContact O-N 2.84Å; L379-R381 PolarHBondContact O-N 3.23Å | ||
| 380 | Q | 40.3 | Very low | 34.7 | Very low | 183 Ų | 183 | 166 Ų | 166 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | -65.9 | 118.3 | 165.1 | -69.5 | 163.7 | -29.1 | 0 | 0 | 108.9 | V378 | V378-Q380 HydrophobicContact CG1-CG 4.47Š| ||
| 381 | R | 30.8 | Very low | 34.9 | Very low | 229 Ų | 229 | 166.4 Ų | 166.4 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -136.1 | 132.3 | 152.5 | -92.6 | -168.3 | -175.8 | -129.8 | 4.8 | 110.3 | L379 | L379-R381 PolarHBondContact O-N 3.23Š| ||
| 382 | L | 32.5 | Very low | 34.8 | Very low | 175 Ų | 175 | 166.9 Ų | 166.9 | 92% | 0.916 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 133.8 | 175.9 | -62.6 | 157.2 | 0 | 0 | 0 | 108.7 | ||
| 383 | S | 31.5 | Very low | 34.8 | Very low | 115 Ų | 115 | 166.5 Ų | 166.5 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 139 | 167.8 | -61.7 | 0 | 0 | 0 | 0 | 110.2 | ||
| 384 | P | 41.1 | Very low | 34.3 | Very low | 122 Ų | 122 | 165.8 Ų | 165.8 | 79% | 0.792 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 133.1 | 167.9 | -12.9 | 29.1 | 0 | 0 | 0 | 110.8 | ||
| 385 | D | 31.5 | Very low | 34.4 | Very low | 129 Ų | 129 | 160.7 Ų | 160.7 | 69% | 0.69 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 136.8 | 177.4 | -165.3 | -4.7 | 0 | 0 | 0 | 111 | H387 | D385-H387 IonicContact OD1-ND1 3.87Š|
| 386 | M | 35.5 | Very low | 34.2 | Very low | 165 Ų | 165 | 155.5 Ų | 155.5 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | trans | -128.6 | 56.6 | -175.5 | -85.1 | -72.2 | 103.8 | 0 | 0 | 112.2 | ||||
| 387 | H | 37.8 | Very low | 34.3 | Very low | 164 Ų | 164 | 157.8 Ų | 157.8 | 76% | 0.759 | 83% | 0.828 | S | S | * | * | trans | -138.5 | 105.3 | 171.7 | -68.8 | 93.5 | 0 | 0 | 0 | 113.3 | D385 | D385-H387 IonicContact OD1-ND1 3.87Š| ||
| 388 | R | 29.4 | Very low | 34 | Very low | 248 Ų | 248 | 155.6 Ų | 155.6 | 94% | 0.936 | 83% | 0.828 | S | S | * | * | trans | -156.6 | 109.8 | 147.7 | -103.2 | -72.8 | 170 | 168.3 | -2.4 | 110.7 | ||||
| 389 | R | 32.2 | Very low | 34.7 | Very low | 234 Ų | 234 | 155.6 Ų | 155.6 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 157.1 | 165.1 | -68.2 | -179.6 | 176.8 | -132.2 | 0.6 | 110.9 | ||
| 390 | S | 32.5 | Very low | 34.7 | Very low | 115 Ų | 115 | 152.5 Ų | 152.5 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 149.7 | 173.7 | -34.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 391 | P | 43.8 | Very low | 34.4 | Very low | 130 Ų | 130 | 150.1 Ų | 150.1 | 84% | 0.844 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 149.3 | 157.7 | 25.3 | -12.7 | 0 | 0 | 0 | 111.9 | ||
| 392 | L | 30.1 | Very low | 34.5 | Very low | 172 Ų | 172 | 149.9 Ų | 149.9 | 90% | 0.901 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 161.9 | -178.2 | -155.7 | 135.1 | 0 | 0 | 0 | 110.4 | ||
| 393 | L | 35.2 | Very low | 34.4 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 143 | 177.6 | -64.9 | 165.3 | 0 | 0 | 0 | 112 | ||
| 394 | D | 32.1 | Very low | 34.3 | Very low | 162 Ų | 162 | 150.1 Ų | 150.1 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | -144.5 | 154.1 | 152.2 | -157.4 | 5 | 0 | 0 | 0 | 110.9 | ||||
| 395 | V | 32.7 | Very low | 34.2 | Very low | 118 Ų | 118 | 153.9 Ų | 153.9 | 72% | 0.715 | 82% | 0.815 | S | S | * | * | trans | -106.8 | 137 | -168.3 | 163 | 0 | 0 | 0 | 0 | 111 | ||||
| 396 | S | 31.2 | Very low | 34.6 | Very low | 125 Ų | 125 | 153.4 Ų | 153.4 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -156.2 | 143.6 | 156.7 | -128.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 397 | D | 34.3 | Very low | 34.9 | Very low | 157 Ų | 157 | 150.9 Ų | 150.9 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | trans | -90.9 | 121.3 | -165.6 | -78.3 | -62.2 | 0 | 0 | 0 | 115.5 | ||||
| 398 | G | 32.6 | Very low | 34.8 | Very low | 73 Ų | 73 | 148.2 Ų | 148.2 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | 58.6 | 178.8 | 142.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 399 | P | 49.9 | Very low | 35.1 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | cis | -130.4 | 156.8 | -17.2 | 39.1 | -23.9 | 0 | 0 | 0 | 115.9 | ||||
| 400 | A | 31.6 | Very low | 35.3 | Very low | 96 Ų | 96 | 143 Ų | 143 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | 53.4 | 115.7 | 149.1 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 401 | S | 33.5 | Very low | 35.4 | Very low | 134 Ų | 134 | 146.3 Ų | 146.3 | 94% | 0.937 | 81% | 0.814 | S | S | * | * | -158.4 | 156.1 | 126.3 | -88.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 402 | Y | 32.6 | Very low | 35.1 | Very low | 223 Ų | 223 | 151.7 Ų | 151.7 | 88% | 0.875 | 82% | 0.817 | S | S | * | * | trans | -68.2 | 141.4 | -153.8 | -144 | -121.3 | 0 | 0 | 0 | 119.5 | ||||
| 403 | S | 30.3 | Very low | 35.3 | Very low | 76 Ų | 76 | 147.5 Ų | 147.5 | 53% | 0.531 | 81% | 0.807 | S | S | . | * | trans | 49.5 | 122.9 | 136.5 | -153.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 404 | Y | 30.8 | Very low | 35.4 | Very low | 219 Ų | 219 | 144.4 Ų | 144.4 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | -161.8 | 154.3 | 69.3 | -115.5 | -88.9 | 0 | 0 | 0 | 113.2 | |||||
| 405 | R | 39.3 | Very low | 35.5 | Very low | 202 Ų | 202 | 146.8 Ų | 146.8 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -109.5 | 155.9 | 172 | -141 | -173.5 | -163.9 | 179 | 6 | 109.2 | ||||
| 406 | P | 38.8 | Very low | 35.8 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | -147 | -160.6 | 93.5 | 44.4 | -26.3 | 0 | 0 | 0 | 112 | |||||
| 407 | P | 41.8 | Very low | 36 | Very low | 112 Ų | 112 | 146.8 Ų | 146.8 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | -119.7 | 153.4 | -100.6 | 32.9 | -13.9 | 0 | 0 | 0 | 115.9 | |||||
| 408 | T | 36.7 | Very low | 36.2 | Very low | 108 Ų | 108 | 150 Ų | 150 | 66% | 0.663 | 80% | 0.803 | S | S | * | * | trans | -82.6 | 139 | 169 | 48.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 409 | Q | 36 | Very low | 36.5 | Very low | 195 Ų | 195 | 158 Ų | 158 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -134.2 | 145.8 | 153.5 | -72.5 | -164.1 | -2.3 | 0 | 0 | 111.3 | ||||
| 410 | H | 36.2 | Very low | 36 | Very low | 178 Ų | 178 | 157.4 Ų | 157.4 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -87.8 | 152.4 | -167.2 | -59.7 | -108.3 | 0 | 0 | 0 | 112.2 | ||||
| 411 | L | 34.7 | Very low | 36.1 | Very low | 183 Ų | 183 | 164 Ų | 164 | 96% | 0.958 | 82% | 0.815 | S | S | * | * | trans | -132.2 | 118.5 | 147.8 | -90.4 | 172.4 | 0 | 0 | 0 | 111.2 | ||||
| 412 | R | 37 | Very low | 36.1 | Very low | 244 Ų | 244 | 163 Ų | 163 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -132.1 | 114.3 | 170.8 | 170.5 | -170.7 | 179.8 | 170.3 | 2.7 | 106.7 | ||||
| 413 | A | 34.8 | Very low | 36.4 | Very low | 84 Ų | 84 | 160.9 Ų | 160.9 | 69% | 0.694 | 81% | 0.806 | S | S | * | * | trans | -166.3 | 105.2 | 167 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 414 | S | 36.5 | Very low | 36.7 | Very low | 97 Ų | 97 | 164.5 Ų | 164.5 | 68% | 0.678 | 83% | 0.825 | S | S | * | * | 79.2 | 101.8 | 72.5 | 71.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 415 | F | 34.5 | Very low | 36.9 | Very low | 213 Ų | 213 | 159 Ų | 159 | 93% | 0.934 | 82% | 0.824 | S | S | * | * | trans | -60.5 | 132.9 | 164.3 | -76.5 | -103 | 0 | 0 | 0 | 110.4 | ||||
| 416 | Q | 38.6 | Very low | 36.6 | Very low | 161 Ų | 161 | 156.8 Ų | 156.8 | 75% | 0.752 | 83% | 0.827 | S | S | * | * | trans | -135.7 | 111.5 | 161.6 | -76.6 | -176.9 | 3.2 | 0 | 0 | 108.8 | ||||
| 417 | G | 34.8 | Very low | 36.4 | Very low | 81 Ų | 81 | 156.5 Ų | 156.5 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | -69.9 | 151.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 418 | R | 39.4 | Very low | 36 | Very low | 226 Ų | 226 | 156.9 Ų | 156.9 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | trans | -133.6 | 124.6 | 169 | -74.6 | -172.9 | 172.6 | -95.9 | -2.6 | 110.9 | ||||
| 419 | R | 39.7 | Very low | 35.8 | Very low | 241 Ų | 241 | 156.5 Ų | 156.5 | 91% | 0.909 | 84% | 0.839 | S | S | * | * | trans | -114 | 161.9 | 148.5 | -78.8 | -174.3 | 173.5 | -97 | 1.1 | 107.7 | ||||
| 420 | S | 37.9 | Very low | 35.7 | Very low | 114 Ų | 114 | 158.3 Ų | 158.3 | 80% | 0.797 | 84% | 0.839 | S | S | * | * | trans | 97.8 | 116.9 | 164.8 | -53.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 421 | Y | 33.9 | Very low | 35.5 | Very low | 233 Ų | 233 | 159.3 Ų | 159.3 | 91% | 0.914 | 84% | 0.844 | S | S | * | * | trans | -20.8 | 148.3 | 158.9 | -60.6 | -98.5 | 0 | 0 | 0 | 119.3 | ||||
| 422 | S | 33.9 | Very low | 35.3 | Very low | 114 Ų | 114 | 156.3 Ų | 156.3 | 80% | 0.797 | 84% | 0.837 | S | S | * | * | -178.4 | 159.6 | 104.6 | -165.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 423 | E | 39.1 | Very low | 35.9 | Very low | 179 Ų | 179 | 149.9 Ų | 149.9 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | trans | -67.3 | 154.8 | -179.2 | -57.1 | 153.7 | 112.3 | 0 | 0 | 114.6 | ||||
| 424 | V | 36.9 | Very low | 36.8 | Very low | 152 Ų | 152 | 150.5 Ų | 150.5 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -150.5 | 131 | 141.2 | -96.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 425 | A | 34.3 | Very low | 36.8 | Very low | 102 Ų | 102 | 155.9 Ų | 155.9 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | trans | -99 | 147.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 426 | D | 32.2 | Very low | 36.9 | Very low | 156 Ų | 156 | 153.9 Ų | 153.9 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | trans | -116 | 125.3 | 175.2 | -165.2 | 8.1 | 0 | 0 | 0 | 110 | ||||
| 427 | P | 36.3 | Very low | 36.8 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | trans | -109.7 | 108.3 | -169.8 | 36.8 | -28.6 | 0 | 0 | 0 | 114.1 | ||||
| 428 | S | 32.8 | Very low | 36.9 | Very low | 119 Ų | 119 | 155.1 Ų | 155.1 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -159.8 | 113.9 | 153.4 | 58.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 429 | A | 32.9 | Very low | 36.6 | Very low | 101 Ų | 101 | 151.9 Ų | 151.9 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | 160.5 | 102.6 | 133.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 430 | Y | 33 | Very low | 37 | Very low | 232 Ų | 232 | 145.3 Ų | 145.3 | 91% | 0.91 | 81% | 0.808 | S | S | * | * | trans | -83 | 130.8 | 171.7 | -86 | -97.3 | 0 | 0 | 0 | 111.4 | ||||
| 431 | Q | 32.3 | Very low | 36.7 | Very low | 200 Ų | 200 | 146 Ų | 146 | 94% | 0.935 | 81% | 0.807 | S | S | * | * | trans | -157.7 | 136.8 | 136 | -114 | 172.6 | 42 | 0 | 0 | 112.3 | ||||
| 432 | C | 30.7 | Very low | 36.8 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -163.2 | 172.4 | -178.5 | -139.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 433 | P | 50.3 | Low | 37.2 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | cis | -132.3 | -149.9 | 2.3 | 33.8 | -6.5 | 0 | 0 | 0 | 109.8 | ||||
| 434 | P | 52.3 | Low | 37 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | cis | -151.4 | 153.6 | 6.7 | 46.3 | -25 | 0 | 0 | 0 | 122.2 | ||||
| 435 | R | 37.8 | Very low | 37.2 | Very low | 210 Ų | 210 | 139.2 Ų | 139.2 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | 65.8 | 149.8 | 156.8 | -28.1 | -156.3 | -168.6 | -174.1 | 5.6 | 118.1 | ||||
| 436 | F | 36.3 | Very low | 37.2 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 75% | 0.75 | 80% | 0.799 | S | S | * | * | cis | -139.3 | 132.3 | 17 | -86.5 | -89.4 | 0 | 0 | 0 | 113.9 | ||||
| 437 | S | 36.1 | Very low | 37.5 | Very low | 91 Ų | 91 | 142.4 Ų | 142.4 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | trans | 39.8 | 134.4 | 133.4 | 68.4 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 438 | L | 36.3 | Very low | 37.7 | Very low | 176 Ų | 176 | 148.3 Ų | 148.3 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | 92.6 | 149.5 | 144.7 | -74.1 | 154.1 | 0 | 0 | 0 | 119.7 | ||||
| 439 | D | 33.8 | Very low | 37.9 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -98.4 | 168.2 | -151.2 | -138.3 | 26.7 | 0 | 0 | 0 | 112.8 | ||||
| 440 | P | 48 | Very low | 37.7 | Very low | 104 Ų | 104 | 153 Ų | 153 | 68% | 0.675 | 80% | 0.801 | S | S | * | * | trans | -94.3 | 152 | -166.8 | 37.3 | -34.5 | 0 | 0 | 0 | 113.9 | ||||
| 441 | V | 32.7 | Very low | 37.8 | Very low | 128 Ų | 128 | 148.5 Ų | 148.5 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -138.8 | 117.9 | 157.3 | -177 | 0 | 0 | 0 | 0 | 109.8 | T443 | V441-T443 HydrophobicContact CG1-CG2 4.12Š| ||
| 442 | S | 34.8 | Very low | 37.7 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -75.2 | 128 | 164.7 | -56.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 443 | T | 42.8 | Very low | 37.6 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | trans | -125.8 | 122.1 | 164.7 | 46.3 | 0 | 0 | 0 | 0 | 110.8 | V441 | V441-T443 HydrophobicContact CG1-CG2 4.12Š| ||
| 444 | L | 34.5 | Very low | 36.7 | Very low | 167 Ų | 167 | 147.7 Ų | 147.7 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 137.2 | 166.3 | -109 | 75.4 | 0 | 0 | 0 | 109.6 | ||
| 445 | P | 41.6 | Very low | 36.4 | Very low | 123 Ų | 123 | 148.6 Ų | 148.6 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 124.6 | 171.1 | 30.5 | -31.8 | 0 | 0 | 0 | 111 | ||
| 446 | K | 33.8 | Very low | 36.2 | Very low | 200 Ų | 200 | 147.5 Ų | 147.5 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 141.4 | 162.1 | -86.6 | 177.3 | 173.5 | 175.6 | 0 | 110 | ||
| 447 | P | 38.6 | Very low | 35.9 | Very low | 125 Ų | 125 | 148.8 Ų | 148.8 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 151 | 179.2 | 29.8 | -34.8 | 0 | 0 | 0 | 112 | ||
| 448 | R | 40 | Very low | 35.4 | Very low | 237 Ų | 237 | 153.1 Ų | 153.1 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 152.8 | 169.4 | -71.4 | -174.3 | 178.5 | -177.6 | -0.3 | 110.7 | ||
| 449 | P | 38.4 | Very low | 35.8 | Very low | 124 Ų | 124 | 149.4 Ų | 149.4 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 150.1 | -178.2 | -14.9 | 30.5 | 0 | 0 | 0 | 113.1 | ||
| 450 | Y | 28.4 | Very low | 35.6 | Very low | 196 Ų | 196 | 149.7 Ų | 149.7 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 131.5 | 172.4 | -172.9 | -100.4 | 0 | 0 | 0 | 110.2 | E452 | Y450-E452 HydrophobicContact CE1-CB 4.02Å; Y450-E452 HydrophobicContact CE1-CG 4.49Å |
| 451 | V | 35.2 | Very low | 34.6 | Very low | 137 Ų | 137 | 152.6 Ų | 152.6 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | trans | -124.4 | 127.5 | 169.4 | 171.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 452 | E | 29.2 | Very low | 34.4 | Very low | 134 Ų | 134 | 153.1 Ų | 153.1 | 63% | 0.626 | 80% | 0.8 | S | S | * | * | trans | -95.1 | 142.3 | -176.8 | -170.4 | 155.2 | -174.4 | 0 | 0 | 111.8 | Y450 | Y450-E452 HydrophobicContact CE1-CB 4.02Å; Y450-E452 HydrophobicContact CE1-CG 4.49Å | ||
| 453 | G | 29.3 | Very low | 34 | Very low | 74 Ų | 74 | 150.8 Ų | 150.8 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | -173.7 | 87.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 454 | Y | 31.4 | Very low | 33.4 | Very low | 202 Ų | 202 | 150.4 Ų | 150.4 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -76.7 | 154.8 | 162.8 | -86.8 | -76.1 | 0 | 0 | 0 | 110.1 | ||||
| 455 | P | 46.1 | Very low | 34.4 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | -153.8 | 166.1 | 57 | 41 | -19.5 | 0 | 0 | 0 | 120.4 | |||||
| 456 | K | 32.4 | Very low | 33.9 | Very low | 187 Ų | 187 | 148.6 Ų | 148.6 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | 29.5 | 121 | 150.5 | -83.2 | 178.4 | 170.1 | 173.7 | 0 | 120.5 | ||||
| 457 | Q | 30 | Very low | 33.7 | Very low | 199 Ų | 199 | 144.7 Ų | 144.7 | 93% | 0.93 | 78% | 0.779 | S | S | * | * | -166.6 | 153.8 | 110 | -104.7 | 158.5 | 81.5 | 0 | 0 | 113.8 | |||||
| 458 | Q | 26.4 | Very low | 33.3 | Very low | 182 Ų | 182 | 141.8 Ų | 141.8 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | trans | -114.1 | 179.4 | 175.8 | -119.8 | -177.7 | 4.1 | 0 | 0 | 107.5 | ||||
| 459 | P | 44.8 | Very low | 33 | Very low | 98 Ų | 98 | 138 Ų | 138 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | cis | -141.9 | -170.8 | -7.3 | 26.1 | 0.7 | 0 | 0 | 0 | 115.7 | ||||
| 460 | Q | 29 | Very low | 32.9 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | 102.8 | 125 | 145.4 | -62.1 | -155.1 | -15.1 | 0 | 0 | 123.2 | ||||
| 461 | H | 27.1 | Very low | 33 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | 62.8 | 148.8 | 146.7 | -80.3 | -105.8 | 0 | 0 | 0 | 118.2 | ||||
| 462 | V | 28.7 | Very low | 32.7 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | cis | -151.7 | 154.6 | 31.4 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 463 | G | 26.8 | Very low | 32.6 | Very low | 72 Ų | 72 | 138.3 Ų | 138.3 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | 103.7 | 111.6 | 133.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 464 | S | 29.7 | Very low | 32.7 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -85 | -162.9 | 151.3 | -145.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 465 | P | 55.3 | Low | 33.7 | Very low | 86 Ų | 86 | 136.2 Ų | 136.2 | 56% | 0.558 | 77% | 0.765 | S | S | * | * | cis | -145.4 | -164.1 | 3.8 | 24.7 | 4.9 | 0 | 0 | 0 | 117.2 | ||||
| 466 | H | 31 | Very low | 33 | Very low | 167 Ų | 167 | 136 Ų | 136 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | 87.7 | 135.3 | 164.2 | -47.7 | -64.6 | 0 | 0 | 0 | 116.6 | ||||
| 467 | S | 30.6 | Very low | 33.8 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | cis | -167.3 | 166.2 | -11.9 | -83 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 468 | G | 29.4 | Very low | 34 | Very low | 63 Ų | 63 | 129.4 Ų | 129.4 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | cis | 149.4 | 128.7 | -7.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 469 | L | 34.5 | Very low | 34.4 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | 72.7 | 146.2 | 173.2 | -51.9 | 170.7 | 0 | 0 | 0 | 116.1 | ||||
| 470 | Q | 35.3 | Very low | 33.7 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | cis | -164.1 | 162 | 2.4 | -126.9 | 170.5 | 145.7 | 0 | 0 | 113.7 | ||||
| 471 | H | 30.3 | Very low | 33.8 | Very low | 156 Ų | 156 | 125.2 Ų | 125.2 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | 68.2 | 151 | 153.5 | -68 | -35.8 | 0 | 0 | 0 | 120 | ||||
| 472 | R | 28.7 | Very low | 34.2 | Very low | 240 Ų | 240 | 122.6 Ų | 122.6 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | cis | -165.5 | 150.2 | -13.7 | -178 | -178.6 | -163.4 | -163.2 | 6.5 | 106.7 | ||||
| 473 | G | 27.7 | Very low | 34.3 | Very low | 66 Ų | 66 | 119.6 Ų | 119.6 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | -106.7 | 178.7 | -167.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 474 | S | 30.9 | Very low | 34.7 | Very low | 123 Ų | 123 | 120 Ų | 120 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | 69.5 | 164.2 | 156.3 | -63.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 475 | P | 52.8 | Low | 34.9 | Very low | 110 Ų | 110 | 121.6 Ų | 121.6 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | cis | -142.2 | 166.2 | -32.3 | 37.1 | -19.5 | 0 | 0 | 0 | 116.3 | ||||
| 476 | S | 30.9 | Very low | 34 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | 58.3 | 178.4 | 139 | -78.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 477 | P | 50.4 | Low | 34 | Very low | 104 Ų | 104 | 119.4 Ų | 119.4 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | cis | -137.6 | -166.3 | -28.6 | 28.4 | -3.8 | 0 | 0 | 0 | 115 | ||||
| 478 | L | 33.3 | Very low | 34.4 | Very low | 142 Ų | 142 | 121.9 Ų | 121.9 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | 82.2 | 152 | 155.5 | -57 | 173 | 0 | 0 | 0 | 119.7 | ||||
| 479 | Q | 35.1 | Very low | 34.5 | Very low | 171 Ų | 171 | 122.7 Ų | 122.7 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | cis | -173.7 | 163.4 | -27.3 | -167.7 | 169.5 | 64.3 | 0 | 0 | 110 | ||||
| 480 | A | 29.7 | Very low | 34.2 | Very low | 92 Ų | 92 | 123.8 Ų | 123.8 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | trans | 77.6 | 154.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 481 | A | 31.5 | Very low | 34 | Very low | 93 Ų | 93 | 122 Ų | 122 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | cis | -173.8 | 163.5 | -27.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 482 | A | 36 | Very low | 34 | Very low | 110 Ų | 110 | 119.4 Ų | 119.4 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | trans | 68 | 143.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 483 | G | 31 | Very low | 34.1 | Very low | 75 Ų | 75 | 116 Ų | 116 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | cis | -164.3 | 147.9 | -7.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 484 | G | 35.1 | Very low | 34.6 | Very low | 82 Ų | 82 | 123.6 Ų | 123.6 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | 75.1 | 123.1 | 93.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 485 | D | 32.7 | Very low | 34.5 | Very low | 150 Ų | 150 | 126.6 Ų | 126.6 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | cis | -160 | 151.8 | 28.7 | -161.8 | 6.8 | 0 | 0 | 0 | 114.9 | ||||
| 486 | S | 36.9 | Very low | 33.3 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | 12.9 | 135.3 | 159.6 | -58.4 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 487 | S | 30.9 | Very low | 33.4 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | -175.2 | 113.8 | 105.5 | -171.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 488 | M | 39.5 | Very low | 32.3 | Very low | 170 Ų | 170 | 133.1 Ų | 133.1 | 84% | 0.837 | 78% | 0.78 | S | S | * | * | trans | 46.2 | 138.9 | 145.7 | -49.9 | -55.8 | 161 | 0 | 0 | 121.4 | ||||
| 489 | A | 30.3 | Very low | 32.5 | Very low | 81 Ų | 81 | 133 Ų | 133 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | cis | -164.1 | 134.5 | -3.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 490 | E | 29.8 | Very low | 32.9 | Very low | 182 Ų | 182 | 130.6 Ų | 130.6 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | 65 | 120.1 | 79.7 | -164.9 | 162.3 | -179.5 | 0 | 0 | 112.5 | |||||
| 491 | S | 29.6 | Very low | 33.1 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | cis | -144.1 | 156.6 | 11.5 | -51.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 492 | S | 31 | Very low | 33.8 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | cis | 61.1 | 101.9 | 48.1 | -159.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 493 | M | 31.9 | Very low | 33.6 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | 177 | 149.6 | 115.4 | -93.5 | -63.6 | -176.7 | 0 | 0 | 112.4 | |||||
| 494 | R | 36.4 | Very low | 33.7 | Very low | 227 Ų | 227 | 141.5 Ų | 141.5 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | -81 | 168.8 | 170.7 | -51.1 | 180 | -176.4 | -163.2 | 0.7 | 110 | ||||
| 495 | H | 29.5 | Very low | 33.5 | Very low | 186 Ų | 186 | 145.6 Ų | 145.6 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | -165.7 | 147.9 | 126.8 | -94 | -58.7 | 0 | 0 | 0 | 112.2 | |||||
| 496 | S | 28.2 | Very low | 33.4 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -74 | 166 | 175.4 | -40.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 497 | R | 31.6 | Very low | 33.2 | Very low | 202 Ų | 202 | 143.9 Ų | 143.9 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | 152.2 | 130.8 | 109.1 | -170.1 | 165.7 | -172.4 | -149 | -16.6 | 114.9 | |||||
| 498 | E | 28.9 | Very low | 33.2 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | trans | 61.8 | 139.6 | 153.9 | -72.2 | 158.2 | -160.6 | 0 | 0 | 122.5 | ||||
| 499 | M | 37.1 | Very low | 33 | Very low | 140 Ų | 140 | 147 Ų | 147 | 69% | 0.69 | 79% | 0.787 | S | S | * | * | trans | -84.2 | 152.2 | 164.4 | -78.8 | -83.9 | -76 | 0 | 0 | 110.2 | F501 | M499-F501 HydrophobicContact CE-CD2 3.76Å; M499-F501 HydrophobicContact CE-CE1 4.3Å; M499-F501 HydrophobicContact CE-CE2 3.38Å; M499-F501 HydrophobicContact CE-CG 4.36Å; M499-F501 HydrophobicContact CE-CZ 3.69Å | ||
| 500 | P | 43.3 | Very low | 33 | Very low | 120 Ų | 120 | 150.4 Ų | 150.4 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | -146.3 | 160.9 | 101.3 | 36.5 | -20.5 | 0 | 0 | 0 | 115.6 | |||||
| 501 | F | 34.3 | Very low | 33.1 | Very low | 176 Ų | 176 | 151.7 Ų | 151.7 | 77% | 0.772 | 79% | 0.792 | S | S | * | * | trans | -70.5 | 159.6 | 169.5 | -70.8 | -82.5 | 0 | 0 | 0 | 112.6 | M499 | M499-F501 HydrophobicContact CE-CD2 3.76Å; M499-F501 HydrophobicContact CE-CE1 4.3Å; M499-F501 HydrophobicContact CE-CE2 3.38Å; M499-F501 HydrophobicContact CE-CG 4.36Å; M499-F501 HydrophobicContact CE-CZ 3.69Å | ||
| 502 | P | 45 | Very low | 33.3 | Very low | 127 Ų | 127 | 154.3 Ų | 154.3 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | -137.3 | 172.2 | 111.9 | 38.5 | -28.1 | 0 | 0 | 0 | 115.4 | |||||
| 503 | L | 32.6 | Very low | 34.1 | Very low | 170 Ų | 170 | 155 Ų | 155 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | trans | -70.9 | 154.2 | -175.2 | -67.2 | 153.1 | 0 | 0 | 0 | 114.6 | ||||
| 504 | S | 33.1 | Very low | 35 | Very low | 125 Ų | 125 | 152.5 Ų | 152.5 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -151.1 | 160.3 | 141.8 | -149.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 505 | E | 30 | Very low | 35.7 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -109.7 | 147 | -150.5 | -75 | 173.7 | 119.9 | 0 | 0 | 115.8 | ||||
| 506 | V | 31.7 | Very low | 36.4 | Very low | 109 Ų | 109 | 144.4 Ų | 144.4 | 66% | 0.661 | 79% | 0.785 | S | S | * | * | trans | 51.6 | 117.5 | 136.4 | -177.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 507 | A | 32.7 | Very low | 37.1 | Very low | 104 Ų | 104 | 144.8 Ų | 144.8 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -145.8 | 121.5 | 132.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 508 | H | 31.6 | Very low | 37.2 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 75% | 0.75 | 80% | 0.795 | S | S | * | * | trans | -85.9 | 141.6 | 179.9 | -62.2 | -88.8 | 0 | 0 | 0 | 111.6 | ||||
| 509 | L | 33.4 | Very low | 38 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 94% | 0.942 | 80% | 0.801 | S | S | * | * | trans | -126.6 | 131 | 150.4 | -76.8 | 178.4 | 0 | 0 | 0 | 109.8 | ||||
| 510 | H | 31 | Very low | 37.8 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | trans | -88 | 136.3 | -172.4 | -171.3 | -90.5 | 0 | 0 | 0 | 109.6 | E512 | H510-E512 IonicContact CE1-OE2 3.81Š| ||
| 511 | F | 31.4 | Very low | 37.5 | Very low | 209 Ų | 209 | 141.5 Ų | 141.5 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | trans | -138.7 | 135.6 | 164.4 | -121.4 | -86.2 | 0 | 0 | 0 | 110.4 | ||||
| 512 | E | 34.5 | Very low | 37.7 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 71% | 0.71 | 81% | 0.808 | S | S | * | * | trans | -113.1 | 127.8 | -164.1 | -175.1 | 174.5 | 124 | 0 | 0 | 109.8 | H510 | H510-E512 IonicContact CE1-OE2 3.81Š| ||
| 513 | P | 47.6 | Very low | 37.6 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 145.1 | 175.6 | 32.1 | -32.4 | 0 | 0 | 0 | 111.8 | ||
| 514 | P | 52 | Low | 38.2 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 161.6 | -174.7 | 31 | -36.2 | 0 | 0 | 0 | 113.9 | ||
| 515 | P | 50.7 | Low | 38.2 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 154.9 | -170.6 | 31.8 | -37 | 0 | 0 | 0 | 114.6 | ||
| 516 | P | 44.1 | Very low | 38.3 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 144.9 | 177.1 | 31.9 | -35 | 0 | 0 | 0 | 112.8 | ||
| 517 | S | 41.6 | Very low | 38.3 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -107.7 | 152.3 | 174.4 | -64.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 518 | Q | 35.6 | Very low | 38.4 | Very low | 195 Ų | 195 | 143 Ų | 143 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | trans | -79.6 | 165.3 | -166 | -78.2 | 179.6 | -42.9 | 0 | 0 | 116.1 | ||||
| 519 | P | 44.3 | Very low | 38.6 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -105.5 | 156 | -172.3 | 39.6 | -34.2 | 0 | 0 | 0 | 115.7 | ||||
| 520 | A | 32.5 | Very low | 38.9 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -175 | 162.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 521 | P | 37.8 | Very low | 39.2 | Very low | 125 Ų | 125 | 144.2 Ų | 144.2 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | cis | -124 | 172.2 | -39.6 | 37.9 | -23.9 | 0 | 0 | 0 | 112.7 | ||||
| 522 | Q | 38.8 | Very low | 39.3 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 151.1 | 177.2 | -62 | -173.2 | -95.6 | 0 | 0 | 113.6 | ||
| 523 | P | 43.4 | Very low | 39.2 | Very low | 111 Ų | 111 | 146.6 Ų | 146.6 | 72% | 0.721 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 160.6 | 157.7 | 35 | -32.6 | 0 | 0 | 0 | 112 | ||
| 524 | P | 43.5 | Very low | 38.4 | Very low | 133 Ų | 133 | 146.3 Ų | 146.3 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -79 | 162.8 | -172.6 | 32.4 | -36.2 | 0 | 0 | 0 | 114.6 | ||
| 525 | Q | 34.2 | Very low | 37.4 | Very low | 186 Ų | 186 | 146.6 Ų | 146.6 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | trans | -87.8 | -178.1 | -177 | -60.5 | -174.4 | -85.4 | 0 | 0 | 114.2 | ||||
| 526 | S | 31.3 | Very low | 36.6 | Very low | 123 Ų | 123 | 147.1 Ų | 147.1 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | 85.8 | 141.7 | 173.3 | 74.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 527 | S | 32.1 | Very low | 35.9 | Very low | 109 Ų | 109 | 149.2 Ų | 149.2 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | cis | -138.8 | 164.3 | 2.5 | 54.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 528 | E | 35.6 | Very low | 35.7 | Very low | 181 Ų | 181 | 149.6 Ų | 149.6 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -65.4 | 142.4 | 165.2 | -64.1 | 141.7 | 115.9 | 0 | 0 | 110.7 | ||||
| 529 | D | 34.6 | Very low | 35.5 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | trans | -158.5 | 132.4 | 145.4 | -111.9 | -42.1 | 0 | 0 | 0 | 108.6 | ||||
| 530 | E | 39.5 | Very low | 35 | Very low | 192 Ų | 192 | 147 Ų | 147 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | trans | -99.3 | 116.2 | 179 | -63 | -140.3 | 120.2 | 0 | 0 | 109.8 | ||||
| 531 | E | 37.7 | Very low | 35.2 | Very low | 169 Ų | 169 | 148.2 Ų | 148.2 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | -136.7 | 123.3 | 168.1 | -103.6 | -179.1 | 131.9 | 0 | 0 | 113.4 | W533 | E531-W533 PolarHBondContact O-N 3.16Š| ||
| 532 | E | 35 | Very low | 35.4 | Very low | 174 Ų | 174 | 148.3 Ų | 148.3 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -81.8 | 98.7 | -171.1 | -177.3 | 178.4 | 176.7 | 0 | 0 | 111.5 | T534 | E532-T534 PolarHBondContact O-N 2.96Š| ||
| 533 | W | 30.9 | Very low | 35.1 | Very low | 237 Ų | 237 | 151.8 Ų | 151.8 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | -76.2 | 88 | 179.3 | -75.4 | 89.2 | 0 | 0 | 0 | 112.7 | E531 | E531-W533 PolarHBondContact O-N 3.16Š| ||
| 534 | T | 30.9 | Very low | 34.7 | Very low | 108 Ų | 108 | 153.4 Ų | 153.4 | 66% | 0.663 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 130.5 | 167.2 | 31.2 | 0 | 0 | 0 | 0 | 111.5 | E532 P536 | E532-T534 PolarHBondContact O-N 2.96Å; T534-P536 WeakPolarHBondContact O-CD 3.41Å |
| 535 | C | 30.5 | Very low | 34.1 | Very low | 123 Ų | 123 | 155.7 Ų | 155.7 | 83% | 0.831 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 124.8 | 178.7 | -65.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 536 | P | 34.3 | Very low | 33.8 | Very low | 125 Ų | 125 | 150.1 Ų | 150.1 | 81% | 0.812 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -85 | 129.2 | 173.5 | -9.5 | 27.7 | 0 | 0 | 0 | 112.4 | T534 | T534-P536 WeakPolarHBondContact O-CD 3.41Š|
| 537 | H | 29.7 | Very low | 33.8 | Very low | 171 Ų | 171 | 150.8 Ų | 150.8 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 145.7 | 164.5 | -63.3 | -59.8 | 0 | 0 | 0 | 111.3 | I539 | H537-I539 PolarHBondContact O-N 3.5Š|
| 538 | P | 37.5 | Very low | 33.7 | Very low | 132 Ų | 132 | 153.5 Ų | 153.5 | 86% | 0.857 | 83% | 0.828 | S | S | * | * | trans | -78 | 114.5 | 171 | 30.6 | -31.7 | 0 | 0 | 0 | 111.1 | ||||
| 539 | I | 31.2 | Very low | 33.4 | Very low | 159 Ų | 159 | 149.9 Ų | 149.9 | 82% | 0.815 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 142.9 | 168.2 | -66.3 | 177.8 | 0 | 0 | 0 | 109.8 | H537 | H537-I539 PolarHBondContact O-N 3.5Š|
| 540 | S | 33.3 | Very low | 33.8 | Very low | 106 Ų | 106 | 148.2 Ų | 148.2 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 154.8 | -173.4 | -41.6 | 0 | 0 | 0 | 0 | 116 | ||
| 541 | P | 38 | Very low | 33.3 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 167.7 | 161.4 | 34.7 | -31.2 | 0 | 0 | 0 | 113 | ||
| 542 | P | 42.2 | Very low | 33.1 | Very low | 128 Ų | 128 | 142 Ų | 142 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | trans | -105.3 | 173.6 | -146.8 | 39.5 | -37.5 | 0 | 0 | 0 | 117.6 | ||||
| 543 | R | 31.3 | Very low | 33.6 | Very low | 240 Ų | 240 | 139.7 Ų | 139.7 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | trans | -72.1 | 144.9 | 176.9 | -69.7 | 173.8 | 166 | 159.1 | -4.8 | 113.9 | ||||
| 544 | T | 34.6 | Very low | 33.7 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | trans | -135.6 | 160.1 | 143.5 | 43.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 545 | L | 31.4 | Very low | 33.6 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 94% | 0.942 | 82% | 0.816 | S | S | * | * | trans | -96.6 | 149.6 | -163.8 | -66.3 | 156.8 | 0 | 0 | 0 | 112.8 | ||||
| 546 | G | 29.2 | Very low | 33.7 | Very low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | trans | 165.3 | 65.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 547 | V | 30.6 | Very low | 33.6 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | 54.9 | 123.7 | 127.6 | 176.9 | 0 | 0 | 0 | 0 | 121 | |||||
| 548 | L | 29.7 | Very low | 33.7 | Very low | 166 Ų | 166 | 137 Ų | 137 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | 87.6 | 112.5 | 159.6 | -69.1 | 164.1 | 0 | 0 | 0 | 122 | ||||
| 549 | S | 29.1 | Very low | 33.2 | Very low | 105 Ų | 105 | 134 Ų | 134 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -76.7 | 176.8 | 143.4 | -52 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 550 | P | 43.9 | Very low | 34.4 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | cis | -138.5 | 172.8 | 7.9 | 43.1 | -26 | 0 | 0 | 0 | 116.5 | ||||
| 551 | A | 28.4 | Very low | 34.2 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | 169.1 | 141 | 129.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 552 | V | 33.4 | Very low | 34 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -102.9 | 153 | 160.5 | -149.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 553 | P | 45.6 | Very low | 33.3 | Very low | 126 Ų | 126 | 131 Ų | 131 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | -146.4 | 174.1 | 98.6 | 36.1 | -18.3 | 0 | 0 | 0 | 115.6 | |||||
| 554 | S | 33.1 | Very low | 33.4 | Very low | 122 Ų | 122 | 126 Ų | 126 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -78 | 154 | -167.2 | -40.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 555 | G | 29.6 | Very low | 33.1 | Very low | 67 Ų | 67 | 123.9 Ų | 123.9 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | 120.4 | 125.5 | 123.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 556 | I | 31.5 | Very low | 33.1 | Very low | 159 Ų | 159 | 124.5 Ų | 124.5 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | 87.8 | 122.5 | 127.1 | -66.8 | 176.7 | 0 | 0 | 0 | 121.2 | |||||
| 557 | M | 32.3 | Very low | 34.2 | Very low | 139 Ų | 139 | 127.2 Ų | 127.2 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | trans | 91.6 | 115.2 | 153.9 | -69.3 | -73.2 | 170 | 0 | 0 | 124.9 | ||||
| 558 | R | 31.7 | Very low | 34.4 | Very low | 221 Ų | 221 | 127.6 Ų | 127.6 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | 66.5 | 131.5 | 117.7 | -149.4 | 177.5 | -73 | -168.2 | -3.1 | 121.1 | |||||
| 559 | G | 26.9 | Very low | 34.9 | Very low | 69 Ų | 69 | 124.7 Ų | 124.7 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | -80.9 | -145.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 560 | P | 56.1 | Low | 34.9 | Very low | 135 Ų | 135 | 128 Ų | 128 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | cis | -144.4 | -150.6 | 12.8 | 45.4 | -24.1 | 0 | 0 | 0 | 115.5 | ||||
| 561 | A | 30.6 | Very low | 34.4 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | 106.3 | 148.6 | 162 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 562 | S | 32.6 | Very low | 35.2 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | cis | -168.1 | 158.8 | -20.7 | -92.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 563 | C | 28.4 | Very low | 35 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | -7.8 | 158.2 | 155.6 | -59.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 564 | T | 33.8 | Very low | 34.1 | Very low | 134 Ų | 134 | 133.6 Ų | 133.6 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | cis | 179.4 | 156.1 | 6.1 | 23.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 565 | A | 27.2 | Very low | 34 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | 173.8 | 150.7 | 140.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 566 | F | 32.5 | Very low | 33.7 | Very low | 193 Ų | 193 | 137.3 Ų | 137.3 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -116.4 | 166.3 | 176.1 | -92.1 | -83.7 | 0 | 0 | 0 | 111.1 | ||||
| 567 | P | 50.8 | Low | 33.4 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | -150.2 | 171.5 | 94.1 | 36.1 | -16 | 0 | 0 | 0 | 117.2 | |||||
| 568 | I | 35.3 | Very low | 33.6 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | -115.1 | 157.1 | 173.1 | -25.3 | 175.9 | 0 | 0 | 0 | 109 | ||||
| 569 | P | 39.6 | Very low | 33.8 | Very low | 105 Ų | 105 | 132 Ų | 132 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | -146.3 | -165.5 | 89.2 | 42.4 | -24.4 | 0 | 0 | 0 | 111.7 | |||||
| 570 | Q | 29.4 | Very low | 34.5 | Very low | 174 Ų | 174 | 137.6 Ų | 137.6 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | cis | -144.1 | 180 | 7.3 | -102.6 | -49.9 | -8.8 | 0 | 0 | 110.5 | ||||
| 571 | R | 33.3 | Very low | 33.3 | Very low | 227 Ų | 227 | 140.1 Ų | 140.1 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -143.8 | 158.3 | 161.6 | -130.4 | -177.5 | -167.6 | 147.1 | 1 | 110.5 | ||||
| 572 | P | 44.7 | Very low | 33.2 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | -151.8 | 151.1 | 121.6 | 36.6 | -19.6 | 0 | 0 | 0 | 117.2 | |||||
| 573 | N | 30.3 | Very low | 33.1 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | 45 | 147.3 | 138 | -63.4 | 6 | 0 | 0 | 0 | 122.1 | ||||
| 574 | N | 27 | Very low | 33.2 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 65% | 0.647 | 79% | 0.794 | S | S | * | * | cis | -157.5 | 140.2 | 5.2 | -113.9 | -13.6 | 0 | 0 | 0 | 112.3 | ||||
| 575 | L | 30.5 | Very low | 33.2 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | 31.3 | 121.7 | 141.8 | -53.5 | 171.5 | 0 | 0 | 0 | 121.5 | ||||
| 576 | S | 23.9 | Very low | 33.5 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | -179.6 | 152.6 | 98.3 | -159.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 577 | C | 25.7 | Very low | 33.8 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | 73.9 | 133.2 | 166 | -61.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 578 | H | 34.9 | Very low | 33.5 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -37.8 | 154.1 | 179 | -88.6 | -76.8 | 0 | 0 | 0 | 118.9 | ||||
| 579 | P | 36.8 | Very low | 33.4 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | -129.6 | 161.3 | 95.9 | 37.4 | -30.7 | 0 | 0 | 0 | 114.4 | |||||
| 580 | Q | 41.4 | Very low | 33.6 | Very low | 186 Ų | 186 | 148.5 Ų | 148.5 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -76.6 | 144.3 | 160.4 | -74.6 | -164.4 | -24.7 | 0 | 0 | 109.6 | ||||
| 581 | Q | 30.3 | Very low | 34 | Very low | 188 Ų | 188 | 143.9 Ų | 143.9 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -136.8 | 124.2 | 170.9 | -158.9 | 157.4 | 17.1 | 0 | 0 | 109 | ||||
| 582 | G | 28.5 | Very low | 34.1 | Very low | 72 Ų | 72 | 143 Ų | 143 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 155.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 583 | Y | 31.6 | Very low | 33.9 | Very low | 241 Ų | 241 | 144 Ų | 144 | 95% | 0.945 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 118.8 | 155.1 | -90.7 | -89.8 | 0 | 0 | 0 | 108.6 | ||
| 584 | A | 30.3 | Very low | 34.3 | Very low | 92 Ų | 92 | 140 Ų | 140 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 140.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | S586 | A584-S586 PolarHBondContact O-N 3.4Š|
| 585 | T | 34 | Very low | 35.3 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 122.1 | 167.6 | 38.5 | 0 | 0 | 0 | 0 | 110.4 | E587 | T585-E587 PolarHBondContact O-N 3.08Å; T585-E587 VanDerWaalsContact O-N 3.1Å |
| 586 | S | 31.9 | Very low | 36 | Very low | 119 Ų | 119 | 134 Ų | 134 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | trans | -78.7 | 92.8 | 170 | -166 | 0 | 0 | 0 | 0 | 109.1 | A584 H588 | A584-S586 PolarHBondContact O-N 3.4Å; S586-H588 VanDerWaalsContact C-N 3.31Å; S586-H588 PolarHBondContact O-N 2.88Å | ||
| 587 | E | 40.1 | Very low | 37 | Very low | 171 Ų | 171 | 135.4 Ų | 135.4 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | trans | -69.9 | 81.5 | 176.1 | -65.5 | -178.5 | 116.9 | 0 | 0 | 111 | T585 | T585-E587 PolarHBondContact O-N 3.08Å; T585-E587 VanDerWaalsContact O-N 3.1Å | ||
| 588 | H | 44 | Very low | 38.1 | Very low | 181 Ų | 181 | 138.7 Ų | 138.7 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | trans | -153.4 | 46.4 | 171.1 | -120.9 | -67.8 | 0 | 0 | 0 | 115.4 | S586 | S586-H588 VanDerWaalsContact C-N 3.31Å; S586-H588 PolarHBondContact O-N 2.88Å | ||
| 589 | A | 33.6 | Very low | 38.8 | Very low | 88 Ų | 88 | 132 Ų | 132 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | trans | -144.3 | 56.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S591 | A589-S591 VanDerWaalsContact C-N 3.31Å; A589-S591 PolarHBondContact O-N 3.45Å; A589-S591 VanDerWaalsContact O-N 3.1Å | ||
| 590 | Q | 42.7 | Very low | 39.4 | Very low | 212 Ų | 212 | 134 Ų | 134 | 99% | 0.991 | 71% | 0.707 | S | S | * | * | trans | -80 | 81.6 | 164.6 | -76 | -157.5 | -1.6 | 0 | 0 | 110.8 | ||||
| 591 | S | 39.3 | Very low | 39.5 | Very low | 77 Ų | 77 | 129.8 Ų | 129.8 | 54% | 0.538 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -147.5 | 101.7 | 169.3 | 53.9 | 0 | 0 | 0 | 0 | 110.3 | A589 | A589-S591 VanDerWaalsContact C-N 3.31Å; A589-S591 PolarHBondContact O-N 3.45Å; A589-S591 VanDerWaalsContact O-N 3.1Å |
| 592 | W | 35.8 | Very low | 40.5 | Very low | 209 Ų | 209 | 130.7 Ų | 130.7 | 79% | 0.792 | 70% | 0.702 | S | S | * | * | trans | 56.5 | 112.4 | 168 | -60.1 | 89.7 | 0 | 0 | 0 | 117.5 | S594 I595 | W592-S594 PolarHBondContact O-N 2.92Å; W592-I595 PolarHBondContact O-N 2.8Å | ||
| 593 | P | 38.7 | Very low | 41.3 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 83% | 0.831 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -13.4 | 176.1 | -22.4 | 33 | 0 | 0 | 0 | 115 | ||
| 594 | S | 40.2 | Very low | 42 | Very low | 59 Ų | 59 | 130.7 Ų | 130.7 | 41% | 0.413 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.9 | -21.4 | -173.8 | 39.6 | 0 | 0 | 0 | 0 | 114.6 | W592 W598 | W592-S594 PolarHBondContact O-N 2.92Å; S594-W598 PolarHBondContact O-NE1 3.32Å |
| 595 | I | 47.9 | Very low | 43.2 | Very low | 40 Ų | 40 | 133.2 Ų | 133.2 | 21% | 0.205 | 70% | 0.696 | C | S | . | * | S | Bend | trans | -72.3 | -38 | -172.9 | -90.9 | 174.9 | 0 | 0 | 0 | 114 | W592 L597 W598 I626 | W592-I595 PolarHBondContact O-N 2.8Å; I595-L597 PolarHBondContact O-N 3.14Å; I595-W598 PolarHBondContact O-N 2.99Å; I595-W598 VanDerWaalsContact O-N 3.15Å; I595-I626 HydrophobicContact CG2-CD1 4.33Å; I595-I626 HydrophobicContact CG2-CG1 4.29Å |
| 596 | N | 45 | Very low | 44.3 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 59% | 0.594 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -62.7 | -30.8 | -178.8 | -75.2 | 3.1 | 0 | 0 | 0 | 112.9 | W598 M599 | N596-W598 PolarHBondContact O-N 3.34Å; N596-M599 PolarHBondContact O-N 3.21Å; N596-M599 VanDerWaalsContact O-N 3.08Å |
| 597 | L | 44.8 | Very low | 46.1 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 73% | 0.733 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -66.4 | -16.2 | 178.3 | -102.1 | 145.5 | 0 | 0 | 0 | 114.6 | I595 | I595-L597 PolarHBondContact O-N 3.14Š|
| 598 | W | 49.4 | Very low | 47.7 | Very low | 188 Ų | 188 | 126.7 Ų | 126.7 | 71% | 0.712 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -91.7 | -3 | 174.9 | -51.5 | 83 | 0 | 0 | 0 | 112.8 | S594 I595 N596 | S594-W598 PolarHBondContact O-NE1 3.32Å; I595-W598 PolarHBondContact O-N 2.99Å; I595-W598 VanDerWaalsContact O-N 3.15Å; N596-W598 PolarHBondContact O-N 3.34Å |
| 599 | M | 49.8 | Very low | 49.3 | Very low | 34 Ų | 34 | 118.1 Ų | 118.1 | 17% | 0.167 | 61% | 0.608 | C | S | . | * | S | Bend | trans | -109.2 | -0.2 | -174.2 | -72.4 | -143.7 | -61.2 | 0 | 0 | 113.5 | N596 R607 D622 L625 | N596-M599 PolarHBondContact O-N 3.21Å; N596-M599 VanDerWaalsContact O-N 3.08Å; M599-R607 VanDerWaalsContact O-CZ 3.3Å; M599-R607 PolarHBondContact O-NH1 3.42Å; M599-R607 VanDerWaalsContact O-NH1 3.07Å; M599-R607 PolarHBondContact O-NH2 2.86Å; M599-D622 HydrophobicContact CE-CB 4.33Å; M599-L625 HydrophobicContact SD-CD2 4.5Å |
| 600 | E | 49.1 | Very low | 51 | Low | 158 Ų | 158 | 117.5 Ų | 117.5 | 74% | 0.738 | 60% | 0.597 | S | S | * | * | trans | -124 | 92.8 | 177.7 | -68.8 | 179.7 | 170.7 | 0 | 0 | 109.4 | ||||
| 601 | S | 43.6 | Very low | 52.6 | Low | 96 Ų | 96 | 111.8 Ų | 111.8 | 67% | 0.671 | 57% | 0.573 | S | S | * | * | trans | -137.4 | 98.2 | 165.8 | -68.5 | 0 | 0 | 0 | 0 | 106.8 | E603 | S601-E603 PolarHBondContact O-N 3.24Š| ||
| 602 | E | 49.7 | Very low | 54.6 | Low | 207 Ų | 207 | 110.3 Ų | 110.3 | 97% | 0.967 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 17.4 | -164.6 | -59.9 | -173.5 | 116.7 | 0 | 0 | 115.2 | ||
| 603 | E | 46.1 | Very low | 56.5 | Low | 191 Ų | 191 | 108 Ų | 108 | 89% | 0.893 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.6 | 14.4 | -171.7 | -147.8 | 176.6 | -176.8 | 0 | 0 | 114.4 | S601 | S601-E603 PolarHBondContact O-N 3.24Š|
| 604 | N | 47.1 | Very low | 58.4 | Low | 122 Ų | 122 | 106.4 Ų | 106.4 | 65% | 0.652 | 54% | 0.544 | S | S | * | . | trans | -148.5 | 114.7 | 173.8 | -145.6 | 0.7 | 0 | 0 | 0 | 112.5 | M606 | N604-M606 PolarHBondContact O-N 2.94Š| ||
| 605 | D | 54.6 | Low | 60.2 | Low | 146 Ų | 146 | 108.5 Ų | 108.5 | 78% | 0.781 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -70.7 | 26.2 | -176.4 | -72.6 | -47.4 | 0 | 0 | 0 | 114.4 | V618 | D605-V618 WeakPolarHBondContact O-CG2 3.35Š|
| 606 | M | 57.7 | Low | 61.6 | Low | 103 Ų | 103 | 107.8 Ų | 107.8 | 51% | 0.507 | 55% | 0.545 | S | S | . | . | trans | -142.3 | 98.2 | -167.1 | -61.8 | 172.7 | 91.7 | 0 | 0 | 109.8 | N604 I615 | N604-M606 PolarHBondContact O-N 2.94Å; M606-I615 HydrophobicContact CB-CG2 3.97Å; M606-I615 HydrophobicContact CE-CD1 4.04Å; M606-I615 HydrophobicContact CE-CG2 4.27Å | ||
| 607 | R | 69.6 | Low | 63 | Low | 105 Ų | 105 | 106.9 Ų | 106.9 | 40% | 0.396 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 123.4 | 176.9 | -67.6 | -176.9 | 177.8 | -103.8 | -20.9 | 109.4 | M599 F616 | M599-R607 VanDerWaalsContact O-CZ 3.3Å; M599-R607 PolarHBondContact O-NH1 3.42Å; M599-R607 VanDerWaalsContact O-NH1 3.07Å; M599-R607 PolarHBondContact O-NH2 2.86Å; R607-F616 PolarHBondContact O-N 3.4Å |
| 608 | S | 72.8 | Confident | 63.8 | Low | 66 Ų | 66 | 105.3 Ų | 105.3 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 144.3 | 178.6 | 62.8 | 0 | 0 | 0 | 0 | 112.5 | L614 | S608-L614 CarbonylContact C-O 3.56Å; S608-L614 WeakPolarHBondContact CA-O 3.42Å |
| 609 | C | 79.1 | Confident | 64.6 | Low | 0 Ų | 0 | 100 Ų | 100 | 0% | 0 | 54% | 0.544 | C | S | . | . | trans | -70.6 | 122.2 | 174 | 172.6 | 0 | 0 | 0 | 0 | 109.4 | L611 C612 Q613 L614 F616 I629 | C609-L611 PolarHBondContact O-N 3.12Å; C609-L611 VanDerWaalsContact O-N 3.17Å; C609-C612 VanDerWaalsContact CB-SG 3.58Å; C609-C612 PolarHBondContact O-N 3.1Å; C609-Q613 VanDerWaalsContact O-CA 3.24Å; C609-Q613 WeakPolarHBondContact O-CA 3.38Å; C609-Q613 PolarHBondContact O-N 2.95Å; C609-L614 PolarHBondContact N-O 2.84Å; C609-F616 HydrophobicContact CB-CE2 4.08Å; C609-I629 HydrophobicContact CB-CG1 4.5Å | ||
| 610 | P | 68.9 | Low | 65.9 | Low | 76 Ų | 76 | 102.8 Ų | 102.8 | 49% | 0.494 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.9 | -21 | -174.7 | 26 | -34.4 | 0 | 0 | 0 | 113.5 | ||
| 611 | L | 76.1 | Confident | 67.2 | Low | 91 Ų | 91 | 99 Ų | 99 | 48% | 0.476 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -24.3 | -176 | -59.5 | 174.3 | 0 | 0 | 0 | 113.5 | C609 I629 H632 L633 | C609-L611 PolarHBondContact O-N 3.12Å; C609-L611 VanDerWaalsContact O-N 3.17Å; L611-I629 HydrophobicContact CD1-CG2 4.13Å; L611-H632 HydrophobicContact CB-CB 4.16Å; L611-H632 HydrophobicContact CD1-CB 3.55Å; L611-H632 HydrophobicContact CG-CB 4.5Å; L611-L633 HydrophobicContact CD1-CD2 3.81Å; L611-L633 HydrophobicContact CD1-CG 3.93Å |
| 612 | C | 80.4 | Confident | 68.8 | Low | 47 Ų | 47 | 98 Ų | 98 | 32% | 0.318 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.8 | -1.4 | -177.2 | 67.9 | 0 | 0 | 0 | 0 | 114.7 | C609 L614 H628 H632 | C609-C612 VanDerWaalsContact CB-SG 3.58Å; C609-C612 PolarHBondContact O-N 3.1Å; C612-L614 PolarHBondContact O-N 3.25Å; C612-H628 PolarHBondContact SG-NE2 2.71Å; C612-H628 VanDerWaalsContact SG-NE2 3.36Å; C612-H632 PolarHBondContact SG-NE2 3.33Å |
| 613 | Q | 76.1 | Confident | 70.2 | Confident | 160 Ų | 160 | 93.8 Ų | 93.8 | 75% | 0.748 | 51% | 0.514 | S | S | * | . | trans | 57.7 | 16.1 | 179.7 | -58.4 | 173.3 | 16.9 | 0 | 0 | 114.9 | C609 I615 | C609-Q613 VanDerWaalsContact O-CA 3.24Å; C609-Q613 WeakPolarHBondContact O-CA 3.38Å; C609-Q613 PolarHBondContact O-N 2.95Å; Q613-I615 PolarHBondContact O-N 2.93Å | ||
| 614 | L | 78.5 | Confident | 71.7 | Confident | 95 Ų | 95 | 86.1 Ų | 86.1 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | trans | -64.6 | 126.9 | 170.4 | -78.1 | 171.3 | 0 | 0 | 0 | 110.1 | S608 C609 C612 F616 | S608-L614 CarbonylContact C-O 3.56Å; S608-L614 WeakPolarHBondContact CA-O 3.42Å; C609-L614 PolarHBondContact N-O 2.84Å; C612-L614 PolarHBondContact O-N 3.25Å; L614-F616 HydrophobicContact CB-CE2 4.02Å; L614-F616 HydrophobicContact CB-CZ 4.35Å; L614-F616 WeakPolarHBondContact O-CD2 3.31Å; L614-F616 WeakPolarHBondContact O-CE2 3.26Å | ||
| 615 | I | 78.6 | Confident | 73.2 | Confident | 102 Ų | 102 | 80.8 Ų | 80.8 | 52% | 0.523 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 130.8 | -179 | -52 | 178.8 | 0 | 0 | 0 | 109.3 | M606 Q613 | M606-I615 HydrophobicContact CB-CG2 3.97Å; M606-I615 HydrophobicContact CE-CD1 4.04Å; M606-I615 HydrophobicContact CE-CG2 4.27Å; Q613-I615 PolarHBondContact O-N 2.93Å |
| 616 | F | 77.4 | Confident | 74.5 | Confident | 26 Ų | 26 | 75.7 Ų | 75.7 | 11% | 0.114 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 144.1 | 179.3 | -64.1 | -93.7 | 0 | 0 | 0 | 110.3 | R607 C609 L614 Y620 L625 H628 | R607-F616 PolarHBondContact O-N 3.4Å; C609-F616 HydrophobicContact CB-CE2 4.08Å; L614-F616 HydrophobicContact CB-CE2 4.02Å; L614-F616 HydrophobicContact CB-CZ 4.35Å; L614-F616 WeakPolarHBondContact O-CD2 3.31Å; L614-F616 WeakPolarHBondContact O-CE2 3.26Å; F616-Y620 HydrophobicContact CB-CD1 4.36Å; F616-Y620 HydrophobicContact CB-CG 4.21Å; F616-Y620 AromaticContact CD1-CD1 3.6Å; F616-Y620 HydrophobicContact CD1-CD1 3.6Å; F616-Y620 HydrophobicContact CD1-CD2 4.08Å; F616-Y620 AromaticContact CD1-CE1 3.59Å; F616-Y620 HydrophobicContact CD1-CE1 3.59Å; F616-Y620 HydrophobicContact CD1-CE2 4.09Å; F616-Y620 AromaticContact CD1-CG 3.84Å; F616-Y620 HydrophobicContact CD1-CG 3.84Å; F616-Y620 AromaticContact CD1-CZ 3.85Å; F616-Y620 HydrophobicContact CE1-CD1 4.25Å; F616-Y620 AromaticContact CE1-CE1 3.77Å; F616-Y620 HydrophobicContact CE1-CE1 3.77Å; F616-Y620 HydrophobicContact CE1-CE2 4.47Å; F616-Y620 AromaticContact CE1-CZ 3.9Å; F616-Y620 HydrophobicContact CG-CD1 4.21Å; F616-Y620 HydrophobicContact CG-CG 4.42Å; F616-L625 HydrophobicContact CD2-CD1 3.62Å; F616-L625 HydrophobicContact CE2-CD1 3.57Å; F616-L625 HydrophobicContact CG-CD1 4.2Å; F616-L625 HydrophobicContact CZ-CD1 4.1Å; F616-H628 AromaticContact CZ-CD2 3.8Å; F616-H628 AromaticContact CZ-NE2 3.99Å |
| 617 | P | 73.8 | Confident | 75.7 | Confident | 91 Ų | 91 | 77.6 Ų | 77.6 | 59% | 0.591 | 43% | 0.432 | S | S | * | . | trans | -69.1 | 150.1 | 179.1 | 29 | -34.8 | 0 | 0 | 0 | 111.9 | G619 Y620 | P617-G619 PolarHBondContact O-N 3.35Å; P617-G619 VanDerWaalsContact O-N 3.1Å; P617-Y620 WeakPolarHBondContact O-CB 3.44Å; P617-Y620 PolarHBondContact O-N 2.84Å | ||
| 618 | V | 61.7 | Low | 76.3 | Confident | 108 Ų | 108 | 74.9 Ų | 74.9 | 66% | 0.655 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 112 | 174.4 | -174.9 | 0 | 0 | 0 | 0 | 109.3 | D605 | D605-V618 WeakPolarHBondContact O-CG2 3.35Š|
| 619 | G | 67 | Low | 76.6 | Confident | 75 Ų | 75 | 73.2 Ų | 73.2 | 77% | 0.773 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.1 | 1.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | P617 | P617-G619 PolarHBondContact O-N 3.35Å; P617-G619 VanDerWaalsContact O-N 3.1Å |
| 620 | Y | 75.6 | Confident | 76.7 | Confident | 93 Ų | 93 | 76.6 Ų | 76.6 | 37% | 0.365 | 43% | 0.428 | S | S | . | . | trans | -63.8 | 131.9 | 164.1 | -164.9 | -100 | 0 | 0 | 0 | 109.8 | F616 P617 D622 A624 L625 | F616-Y620 HydrophobicContact CB-CD1 4.36Å; F616-Y620 HydrophobicContact CB-CG 4.21Å; F616-Y620 AromaticContact CD1-CD1 3.6Å; F616-Y620 HydrophobicContact CD1-CD1 3.6Å; F616-Y620 HydrophobicContact CD1-CD2 4.08Å; F616-Y620 AromaticContact CD1-CE1 3.59Å; F616-Y620 HydrophobicContact CD1-CE1 3.59Å; F616-Y620 HydrophobicContact CD1-CE2 4.09Å; F616-Y620 AromaticContact CD1-CG 3.84Å; F616-Y620 HydrophobicContact CD1-CG 3.84Å; F616-Y620 AromaticContact CD1-CZ 3.85Å; F616-Y620 HydrophobicContact CE1-CD1 4.25Å; F616-Y620 AromaticContact CE1-CE1 3.77Å; F616-Y620 HydrophobicContact CE1-CE1 3.77Å; F616-Y620 HydrophobicContact CE1-CE2 4.47Å; F616-Y620 AromaticContact CE1-CZ 3.9Å; F616-Y620 HydrophobicContact CG-CD1 4.21Å; F616-Y620 HydrophobicContact CG-CG 4.42Å; P617-Y620 WeakPolarHBondContact O-CB 3.44Å; P617-Y620 PolarHBondContact O-N 2.84Å; Y620-D622 PolarHBondContact O-N 2.92Å; Y620-A624 HydrophobicContact CD1-CB 4.38Å; Y620-A624 HydrophobicContact CE1-CB 3.56Å; Y620-L625 HydrophobicContact CD1-CB 4.26Å; Y620-L625 HydrophobicContact CE1-CB 4.47Å | ||
| 621 | P | 77.6 | Confident | 77.2 | Confident | 78 Ų | 78 | 75.7 Ų | 75.7 | 51% | 0.506 | 42% | 0.423 | S | S | . | . | trans | -69.1 | 132.3 | -171.7 | 24.5 | -32.1 | 0 | 0 | 0 | 112.3 | D623 A624 L625 | P621-D623 VanDerWaalsContact C-N 3.31Å; P621-D623 PolarHBondContact O-N 3.37Å; P621-A624 HydrophobicContact CG-CB 3.97Å; P621-A624 WeakPolarHBondContact O-CB 3.43Å; P621-A624 PolarHBondContact O-N 3.3Å; P621-L625 PolarHBondContact O-N 3.45Å | ||
| 622 | D | 77.3 | Confident | 77.1 | Confident | 75 Ų | 75 | 74 Ų | 74 | 40% | 0.401 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.1 | -41.4 | -174.4 | -62.5 | -39.6 | 0 | 0 | 0 | 112.4 | M599 Y620 A624 L625 I626 | M599-D622 HydrophobicContact CE-CB 4.33Å; Y620-D622 PolarHBondContact O-N 2.92Å; D622-A624 PolarHBondContact O-N 2.87Å; D622-A624 VanDerWaalsContact O-N 3.1Å; D622-L625 PolarHBondContact O-N 2.83Å; D622-I626 WeakPolarHBondContact O-CB 3.4Å; D622-I626 WeakPolarHBondContact O-CG1 3.32Å; D622-I626 PolarHBondContact O-N 2.83Å |
| 623 | D | 78.3 | Confident | 76.8 | Confident | 119 Ų | 119 | 76 Ų | 76 | 64% | 0.636 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -52.8 | -32.8 | 174.2 | -71.3 | -10.9 | 0 | 0 | 0 | 113.7 | P621 K627 | P621-D623 VanDerWaalsContact C-N 3.31Å; P621-D623 PolarHBondContact O-N 3.37Å; D623-K627 WeakPolarHBondContact O-CB 3.28Å; D623-K627 VanDerWaalsContact O-CD 3.29Å; D623-K627 WeakPolarHBondContact O-CD 3.33Å; D623-K627 WeakPolarHBondContact O-CG 3.28Å; D623-K627 PolarHBondContact O-N 2.9Å |
| 624 | A | 77.3 | Confident | 76.6 | Confident | 30 Ų | 30 | 75.5 Ų | 75.5 | 25% | 0.248 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -84.3 | -32.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y620 P621 D622 H628 | Y620-A624 HydrophobicContact CD1-CB 4.38Å; Y620-A624 HydrophobicContact CE1-CB 3.56Å; P621-A624 HydrophobicContact CG-CB 3.97Å; P621-A624 WeakPolarHBondContact O-CB 3.43Å; P621-A624 PolarHBondContact O-N 3.3Å; D622-A624 PolarHBondContact O-N 2.87Å; D622-A624 VanDerWaalsContact O-N 3.1Å; A624-H628 WeakPolarHBondContact O-CB 3.35Å; A624-H628 PolarHBondContact O-N 3.35Å |
| 625 | L | 80 | Confident | 75.6 | Confident | 11 Ų | 11 | 76.6 Ų | 76.6 | 6% | 0.058 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.3 | -42.5 | 173.2 | -179.1 | 57.8 | 0 | 0 | 0 | 111.2 | M599 F616 Y620 P621 D622 H628 I629 | M599-L625 HydrophobicContact SD-CD2 4.5Å; F616-L625 HydrophobicContact CD2-CD1 3.62Å; F616-L625 HydrophobicContact CE2-CD1 3.57Å; F616-L625 HydrophobicContact CG-CD1 4.2Å; F616-L625 HydrophobicContact CZ-CD1 4.1Å; Y620-L625 HydrophobicContact CD1-CB 4.26Å; Y620-L625 HydrophobicContact CE1-CB 4.47Å; P621-L625 PolarHBondContact O-N 3.45Å; D622-L625 PolarHBondContact O-N 2.83Å; L625-H628 WeakPolarHBondContact O-CB 3.36Å; L625-H628 PolarHBondContact O-N 2.81Å; L625-I629 HydrophobicContact CD1-CD1 4.34Å; L625-I629 HydrophobicContact CG-CD1 4.19Å; L625-I629 WeakPolarHBondContact O-CG1 3.19Å; L625-I629 PolarHBondContact O-N 3.35Å |
| 626 | I | 81.5 | Confident | 74.6 | Confident | 39 Ų | 39 | 75.9 Ų | 75.9 | 20% | 0.2 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.7 | -50.3 | 175.5 | -66.6 | 166.4 | 0 | 0 | 0 | 109.8 | I595 D622 H628 I629 D630 | I595-I626 HydrophobicContact CG2-CD1 4.33Å; I595-I626 HydrophobicContact CG2-CG1 4.29Å; D622-I626 WeakPolarHBondContact O-CB 3.4Å; D622-I626 WeakPolarHBondContact O-CG1 3.32Å; D622-I626 PolarHBondContact O-N 2.83Å; I626-H628 PolarHBondContact O-N 3.44Å; I626-I629 PolarHBondContact O-N 3.05Å; I626-D630 PolarHBondContact O-N 2.75Å |
| 627 | K | 81.3 | Confident | 73.3 | Confident | 143 Ų | 143 | 83.1 Ų | 83.1 | 62% | 0.622 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -57.9 | -32.9 | 174.1 | -76.1 | 168.6 | -172.8 | 161.1 | 0 | 113.7 | D623 S631 | D623-K627 WeakPolarHBondContact O-CB 3.28Å; D623-K627 VanDerWaalsContact O-CD 3.29Å; D623-K627 WeakPolarHBondContact O-CD 3.33Å; D623-K627 WeakPolarHBondContact O-CG 3.28Å; D623-K627 PolarHBondContact O-N 2.9Å; K627-S631 WeakPolarHBondContact O-CB 3.33Å; K627-S631 PolarHBondContact O-N 3.27Å |
| 628 | H | 82.1 | Confident | 71.6 | Confident | 48 Ų | 48 | 89.6 Ų | 89.6 | 22% | 0.222 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -68.1 | -43.8 | 174.4 | 178.4 | 82.7 | 0 | 0 | 0 | 111.6 | C612 F616 A624 L625 I626 S631 H632 | C612-H628 PolarHBondContact SG-NE2 2.71Å; C612-H628 VanDerWaalsContact SG-NE2 3.36Å; F616-H628 AromaticContact CZ-CD2 3.8Å; F616-H628 AromaticContact CZ-NE2 3.99Å; A624-H628 WeakPolarHBondContact O-CB 3.35Å; A624-H628 PolarHBondContact O-N 3.35Å; L625-H628 WeakPolarHBondContact O-CB 3.36Å; L625-H628 PolarHBondContact O-N 2.81Å; I626-H628 PolarHBondContact O-N 3.44Å; H628-S631 PolarHBondContact O-N 3.33Å; H628-H632 AromaticContact CD2-CD2 3.88Å; H628-H632 AromaticContact CD2-NE2 3.67Å; H628-H632 AromaticContact CE1-NE2 3.36Å; H628-H632 PolarHBondContact CE1-NE2 2.61Å; H628-H632 AromaticContact NE2-CD2 3.68Å; H628-H632 AromaticContact NE2-NE2 3Å; H628-H632 PolarHBondContact NE2-NE2 2.96Å; H628-H632 PolarHBondContact O-CD2 3.49Å; H628-H632 PolarHBondContact O-N 2.85Å |
| 629 | I | 80.9 | Confident | 72.1 | Confident | 30 Ų | 30 | 88.7 Ų | 88.7 | 15% | 0.154 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -65.4 | -46.3 | 176 | -66.7 | 164.2 | 0 | 0 | 0 | 110.7 | C609 L611 L625 I626 S631 H632 L633 | C609-I629 HydrophobicContact CB-CG1 4.5Å; L611-I629 HydrophobicContact CD1-CG2 4.13Å; L625-I629 HydrophobicContact CD1-CD1 4.34Å; L625-I629 HydrophobicContact CG-CD1 4.19Å; L625-I629 WeakPolarHBondContact O-CG1 3.19Å; L625-I629 PolarHBondContact O-N 3.35Å; I626-I629 PolarHBondContact O-N 3.05Å; I629-S631 VanDerWaalsContact C-N 3.28Å; I629-S631 PolarHBondContact O-N 3.48Å; I629-H632 WeakPolarHBondContact O-CB 3.38Å; I629-H632 PolarHBondContact O-N 3.36Å; I629-L633 HydrophobicContact CG2-CD1 4.19Å; I629-L633 PolarHBondContact O-N 2.86Å |
| 630 | D | 79.9 | Confident | 72.4 | Confident | 71 Ų | 71 | 89.4 Ų | 89.4 | 38% | 0.38 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.9 | -39.1 | 177.1 | -71.9 | -24.1 | 0 | 0 | 0 | 111.8 | I626 H632 L633 E634 | I626-D630 PolarHBondContact O-N 2.75Å; D630-H632 VanDerWaalsContact C-N 3.31Å; D630-H632 PolarHBondContact O-N 2.95Å; D630-L633 PolarHBondContact O-N 2.88Å; D630-L633 VanDerWaalsContact O-N 3.14Å; D630-E634 WeakPolarHBondContact O-CB 3.49Å; D630-E634 PolarHBondContact O-N 3.44Å |
| 631 | S | 79.2 | Confident | 72.2 | Confident | 57 Ų | 57 | 89.2 Ų | 89.2 | 40% | 0.399 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.1 | -36 | 175.1 | -171 | 0 | 0 | 0 | 0 | 112.7 | K627 H628 I629 N635 | K627-S631 WeakPolarHBondContact O-CB 3.33Å; K627-S631 PolarHBondContact O-N 3.27Å; H628-S631 PolarHBondContact O-N 3.33Å; I629-S631 VanDerWaalsContact C-N 3.28Å; I629-S631 PolarHBondContact O-N 3.48Å; S631-N635 VanDerWaalsContact O-CB 3.3Å; S631-N635 WeakPolarHBondContact O-CB 2.95Å; S631-N635 VanDerWaalsContact O-CG 3.31Å; S631-N635 PolarHBondContact O-N 2.84Å; S631-N635 VanDerWaalsContact O-N 3.09Å; S631-N635 PolarHBondContact O-ND2 3.18Å; S631-N635 PolarHBondContact OG-ND2 3.33Å |
| 632 | H | 74.3 | Confident | 71.9 | Confident | 55 Ų | 55 | 89.8 Ų | 89.8 | 26% | 0.255 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.9 | -40.6 | 172.4 | -70 | -70.5 | 0 | 0 | 0 | 111.6 | L611 C612 H628 I629 D630 S636 | L611-H632 HydrophobicContact CB-CB 4.16Å; L611-H632 HydrophobicContact CD1-CB 3.55Å; L611-H632 HydrophobicContact CG-CB 4.5Å; C612-H632 PolarHBondContact SG-NE2 3.33Å; H628-H632 AromaticContact CD2-CD2 3.88Å; H628-H632 AromaticContact CD2-NE2 3.67Å; H628-H632 AromaticContact CE1-NE2 3.36Å; H628-H632 PolarHBondContact CE1-NE2 2.61Å; H628-H632 AromaticContact NE2-CD2 3.68Å; H628-H632 AromaticContact NE2-NE2 3Å; H628-H632 PolarHBondContact NE2-NE2 2.96Å; H628-H632 PolarHBondContact O-CD2 3.49Å; H628-H632 PolarHBondContact O-N 2.85Å; I629-H632 WeakPolarHBondContact O-CB 3.38Å; I629-H632 PolarHBondContact O-N 3.36Å; D630-H632 VanDerWaalsContact C-N 3.31Å; D630-H632 PolarHBondContact O-N 2.95Å; H632-S636 VanDerWaalsContact O-CB 3.26Å; H632-S636 WeakPolarHBondContact O-CB 3.45Å; H632-S636 PolarHBondContact O-N 3.11Å; H632-S636 PolarHBondContact O-OG 3.04Å |
| 633 | L | 75.3 | Confident | 71.6 | Confident | 90 Ų | 90 | 90.8 Ų | 90.8 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68 | -37.1 | 179.4 | -66.7 | 175.3 | 0 | 0 | 0 | 112.6 | L611 I629 D630 S636 | L611-L633 HydrophobicContact CD1-CD2 3.81Å; L611-L633 HydrophobicContact CD1-CG 3.93Å; I629-L633 HydrophobicContact CG2-CD1 4.19Å; I629-L633 PolarHBondContact O-N 2.86Å; D630-L633 PolarHBondContact O-N 2.88Å; D630-L633 VanDerWaalsContact O-N 3.14Å; L633-S636 PolarHBondContact O-N 3.21Å |
| 634 | E | 71.2 | Confident | 71.1 | Confident | 149 Ų | 149 | 88.9 Ų | 88.9 | 70% | 0.696 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -71.1 | -41.5 | 176.6 | -169.1 | 167.2 | -142.7 | 0 | 0 | 111.6 | D630 S636 K637 | D630-E634 WeakPolarHBondContact O-CB 3.49Å; D630-E634 PolarHBondContact O-N 3.44Å; E634-S636 PolarHBondContact O-N 3.47Å; E634-K637 PolarHBondContact O-N 3.37Å |
| 635 | N | 57.9 | Low | 70.7 | Confident | 119 Ų | 119 | 93.1 Ų | 93.1 | 64% | 0.636 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -70.1 | -18.3 | 172.7 | -74.4 | -52.6 | 0 | 0 | 0 | 113.6 | S631 K637 | S631-N635 VanDerWaalsContact O-CB 3.3Å; S631-N635 WeakPolarHBondContact O-CB 2.95Å; S631-N635 VanDerWaalsContact O-CG 3.31Å; S631-N635 PolarHBondContact O-N 2.84Å; S631-N635 VanDerWaalsContact O-N 3.09Å; S631-N635 PolarHBondContact O-ND2 3.18Å; S631-N635 PolarHBondContact OG-ND2 3.33Å; N635-K637 VanDerWaalsContact C-N 3.29Å; N635-K637 PolarHBondContact O-N 3.34Å |
| 636 | S | 56.8 | Low | 70 | Confident | 86 Ų | 86 | 99.4 Ų | 99.4 | 60% | 0.601 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 4.7 | 176.9 | -61.6 | 0 | 0 | 0 | 0 | 113.8 | H632 L633 E634 I638 | H632-S636 VanDerWaalsContact O-CB 3.26Å; H632-S636 WeakPolarHBondContact O-CB 3.45Å; H632-S636 PolarHBondContact O-N 3.11Å; H632-S636 PolarHBondContact O-OG 3.04Å; L633-S636 PolarHBondContact O-N 3.21Å; E634-S636 PolarHBondContact O-N 3.47Å; S636-I638 VanDerWaalsContact C-N 3.28Å; S636-I638 PolarHBondContact O-N 3.22Å; S636-I638 VanDerWaalsContact O-N 3.17Å |
| 637 | K | 50.1 | Low | 69 | Low | 179 Ų | 179 | 104.4 Ų | 104.4 | 78% | 0.778 | 53% | 0.531 | S | S | * | . | trans | -84.9 | 65.5 | 169.6 | -72.8 | -179.7 | 177.3 | 170.3 | 0 | 111.5 | E634 N635 | E634-K637 PolarHBondContact O-N 3.37Å; N635-K637 VanDerWaalsContact C-N 3.29Å; N635-K637 PolarHBondContact O-N 3.34Å | ||
| 638 | I | 39.3 | Very low | 67.9 | Low | 226 Ų | 226 | 100.9 Ų | 100.9 | 100% | 1.159 | 52% | 0.523 | S | S | * | . | trans | -135.7 | 0 | 165.9 | -55.6 | -176.9 | 0 | 0 | 0 | 108.9 | S636 | S636-I638 VanDerWaalsContact C-N 3.28Å; S636-I638 PolarHBondContact O-N 3.22Å; S636-I638 VanDerWaalsContact O-N 3.17Å |
Retrieved 638 of 638 residues in 123.4 ms
(Link to these results)