| 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 | 37.7 | Very low | 41.7 | Very low | 216 Ų | 216 | 143.5 Ų | 143.5 | 100% | 1.064 | 84% | 0.836 | S | S | * | * | 0 | 143.9 | 0 | -67 | 170.5 | 71 | 0 | 0 | 107.3 | |||||
| 2 | Q | 40.2 | Very low | 41.4 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 79% | 0.785 | 84% | 0.838 | S | S | * | * | trans | 55.4 | 106.9 | 164.5 | -59.4 | 177.7 | 58.2 | 0 | 0 | 116.1 | ||||
| 3 | S | 43.9 | Very low | 41.9 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | 94.1 | 126.1 | 66.2 | -72.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 4 | S | 41.8 | Very low | 41.8 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | trans | -78.6 | 175.7 | 174.6 | -40.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 5 | P | 56.1 | Low | 41.4 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | -141.7 | 179.8 | 78.6 | 39 | -22.4 | 0 | 0 | 0 | 115.3 | |||||
| 6 | S | 37.8 | Very low | 41.1 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | trans | -109.8 | 151.5 | 170.7 | 178.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 7 | T | 39.7 | Very low | 40.8 | Very low | 135 Ų | 135 | 146.3 Ų | 146.3 | 83% | 0.828 | 83% | 0.829 | S | S | * | * | trans | -131.4 | 131 | 167.9 | -60.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 8 | A | 37.9 | Very low | 40.5 | Very low | 88 Ų | 88 | 147.7 Ų | 147.7 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -93 | 151.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 9 | H | 40.8 | Very low | 40.5 | Very low | 185 Ų | 185 | 149 Ų | 149 | 86% | 0.856 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 131.4 | 163.7 | -70.8 | -96.5 | 0 | 0 | 0 | 109.6 | ||
| 10 | P | 45.1 | Very low | 40.2 | Very low | 123 Ų | 123 | 147.5 Ų | 147.5 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 132.9 | 173.8 | 30.4 | -32.9 | 0 | 0 | 0 | 111 | ||
| 11 | Q | 38.1 | Very low | 39.8 | Very low | 188 Ų | 188 | 146.2 Ų | 146.2 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -96 | 121.6 | 174.5 | -175.9 | 178 | 5.7 | 0 | 0 | 108.8 | ||
| 12 | L | 38 | Very low | 40.1 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 129.1 | 178 | -67.2 | 177.5 | 0 | 0 | 0 | 110.7 | ||
| 13 | P | 47.4 | Very low | 40.1 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 66% | 0.662 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 149.7 | 178.6 | 34 | -34.3 | 0 | 0 | 0 | 112.4 | ||
| 14 | I | 40.7 | Very low | 39.6 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 129 | 166.2 | -62.9 | 165.3 | 0 | 0 | 0 | 108 | ||
| 15 | L | 35.9 | Very low | 39.3 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -106 | 126 | 171 | -73.5 | 179.2 | 0 | 0 | 0 | 111 | ||||
| 16 | Q | 35.8 | Very low | 38.3 | Very low | 179 Ų | 179 | 139.8 Ų | 139.8 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -99.5 | 113.4 | 178.1 | 175.7 | -179.6 | -4 | 0 | 0 | 108.2 | Q18 | Q16-Q18 PolarHBondContact O-N 3.09Å; Q16-Q18 VanDerWaalsContact O-N 3.07Å | ||
| 17 | T | 36.1 | Very low | 38 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -69.1 | 107.2 | 178.1 | -58.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 18 | Q | 36.1 | Very low | 38 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 127.1 | 170.6 | -175.8 | 175.3 | 11.4 | 0 | 0 | 108.9 | Q16 | Q16-Q18 PolarHBondContact O-N 3.09Å; Q16-Q18 VanDerWaalsContact O-N 3.07Å |
| 19 | M | 40.1 | Very low | 38.5 | Very low | 172 Ų | 172 | 143 Ų | 143 | 85% | 0.847 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 128.9 | 178 | -57.2 | -155.7 | -61 | 0 | 0 | 110.3 | ||
| 20 | V | 34 | Very low | 38.2 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 72% | 0.721 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 135.3 | 178.4 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | ||
| 21 | S | 33.6 | Very low | 37.9 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | trans | -115.8 | 93.6 | 172.4 | -60.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 22 | D | 43.7 | Very low | 38.4 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -72.7 | 144.5 | 167.9 | -77.3 | -52.8 | 0 | 0 | 0 | 110.6 | ||||
| 23 | G | 38.7 | Very low | 38.1 | Very low | 66 Ų | 66 | 133.8 Ų | 133.8 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | trans | -159.1 | 121 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 24 | M | 34.7 | Very low | 37.4 | Very low | 178 Ų | 178 | 134.4 Ų | 134.4 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | -145.3 | 141.6 | 170.2 | -92.1 | 126.1 | -170.1 | 0 | 0 | 111.1 | ||||
| 25 | T | 35.2 | Very low | 37.1 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | trans | 30.5 | 116.9 | 150.6 | 60.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 26 | G | 33.9 | Very low | 36.9 | Very low | 73 Ų | 73 | 130 Ų | 130 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | cis | 110.7 | 118 | 16.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 27 | S | 33.4 | Very low | 36.8 | Very low | 120 Ų | 120 | 127 Ų | 127 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | -160.8 | 140.9 | 171.4 | -82.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 28 | N | 38.2 | Very low | 37.6 | Very low | 151 Ų | 151 | 125.7 Ų | 125.7 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 139.6 | 178.7 | -64.8 | -35.7 | 0 | 0 | 0 | 111 | ||
| 29 | P | 49.5 | Very low | 37.2 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74 | 137.7 | 151.7 | 31.9 | -30.9 | 0 | 0 | 0 | 109.6 | ||
| 30 | V | 34.5 | Very low | 36.9 | Very low | 133 Ų | 133 | 120.6 Ų | 120.6 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 149.1 | -177 | -65.1 | 0 | 0 | 0 | 0 | 112.4 | ||
| 31 | S | 38.1 | Very low | 36.9 | Very low | 116 Ų | 116 | 120.9 Ų | 120.9 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 132.5 | 171.2 | -51 | 0 | 0 | 0 | 0 | 111.4 | ||
| 32 | P | 49.6 | Very low | 36.7 | Very low | 129 Ų | 129 | 118.5 Ų | 118.5 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 156.2 | 158.5 | 34.4 | -32.3 | 0 | 0 | 0 | 110.5 | ||
| 33 | A | 31.5 | Very low | 36.4 | Very low | 90 Ų | 90 | 116.3 Ų | 116.3 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | -147.7 | 149.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 34 | S | 32.4 | Very low | 36.1 | Very low | 114 Ų | 114 | 117.2 Ų | 117.2 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | 85.9 | 147.6 | 145.9 | -61.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 35 | S | 34.1 | Very low | 35.9 | Very low | 123 Ų | 123 | 111.9 Ų | 111.9 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | 75.3 | 140.5 | 170.3 | 76.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 36 | S | 30.8 | Very low | 35.8 | Very low | 114 Ų | 114 | 113.3 Ų | 113.3 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | cis | -144.5 | 164.9 | 5.6 | 51 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 37 | S | 34.3 | Very low | 35.8 | Very low | 115 Ų | 115 | 115.3 Ų | 115.3 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -108.3 | 169.4 | 168.5 | -37.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 38 | P | 52.6 | Low | 36.5 | Very low | 108 Ų | 108 | 115 Ų | 115 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | -149.1 | -174.5 | 64.4 | 41.3 | -21.4 | 0 | 0 | 0 | 116.5 | |||||
| 39 | D | 27.6 | Very low | 36.3 | Very low | 144 Ų | 144 | 117.6 Ų | 117.6 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | 68.8 | 148 | 154.8 | -81 | -44.4 | 0 | 0 | 0 | 120.1 | ||||
| 40 | S | 33.7 | Very low | 35.5 | Very low | 93 Ų | 93 | 119.4 Ų | 119.4 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | cis | -164.6 | 161.1 | -21.2 | -133.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 41 | S | 35.2 | Very low | 35.4 | Very low | 125 Ų | 125 | 120.3 Ų | 120.3 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | 66.3 | 141.6 | 168.1 | -58 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 42 | G | 29.9 | Very low | 35.2 | Very low | 70 Ų | 70 | 118.3 Ų | 118.3 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | cis | 174.5 | 165 | -6.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 43 | A | 36.7 | Very low | 34.5 | Very low | 112 Ų | 112 | 120.6 Ų | 120.6 | 93% | 0.926 | 79% | 0.789 | S | S | * | * | trans | 52.8 | 123.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 44 | G | 32 | Very low | 34.5 | Very low | 84 Ų | 84 | 123.1 Ų | 123.1 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | cis | 106 | 143.8 | 30 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 45 | G | 30.1 | Very low | 34.7 | Very low | 67 Ų | 67 | 122.7 Ų | 122.7 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | cis | 166.7 | 144 | -6.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 46 | I | 34 | Very low | 34.7 | Very low | 168 Ų | 168 | 123.1 Ų | 123.1 | 86% | 0.862 | 79% | 0.79 | S | S | * | * | trans | 44.9 | 109.4 | 165 | 58.3 | 165.1 | 0 | 0 | 0 | 118.2 | ||||
| 47 | S | 32.8 | Very low | 34.9 | Very low | 115 Ų | 115 | 126 Ų | 126 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | 123.8 | 162.6 | 67.6 | -85.4 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 48 | P | 48.2 | Very low | 34.8 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | trans | -110.9 | 170.1 | -154.2 | 41 | -35.7 | 0 | 0 | 0 | 115.9 | ||||
| 49 | Q | 34.8 | Very low | 33.9 | Very low | 204 Ų | 204 | 126 Ų | 126 | 95% | 0.953 | 79% | 0.794 | S | S | * | * | trans | -143.7 | 179.5 | 149.7 | -80.2 | -141.1 | 19.1 | 0 | 0 | 111.9 | ||||
| 50 | H | 32.5 | Very low | 34.6 | Very low | 170 Ų | 170 | 125.1 Ų | 125.1 | 79% | 0.787 | 80% | 0.796 | S | S | * | * | trans | -113.5 | -178 | -152.2 | 173.6 | -99.4 | 0 | 0 | 0 | 113.2 | ||||
| 51 | I | 32.7 | Very low | 35.1 | Very low | 152 Ų | 152 | 126.9 Ų | 126.9 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | 89.4 | 140.2 | 176.7 | -55.2 | 161.2 | 0 | 0 | 0 | 114.2 | ||||
| 52 | A | 33 | Very low | 35 | Very low | 74 Ų | 74 | 124.1 Ų | 124.1 | 61% | 0.612 | 80% | 0.796 | S | S | * | * | cis | -172.7 | 155.6 | -33.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 53 | Q | 35.3 | Very low | 35.5 | Very low | 177 Ų | 177 | 127 Ų | 127 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | 59.6 | 110 | 150.5 | -80.6 | -174.2 | -48 | 0 | 0 | 122.1 | ||||
| 54 | D | 31.5 | Very low | 35.4 | Very low | 143 Ų | 143 | 130.9 Ų | 130.9 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | 105.4 | 155.8 | 120.8 | -116.3 | -40.4 | 0 | 0 | 0 | 120.8 | |||||
| 55 | S | 36.3 | Very low | 35.4 | Very low | 104 Ų | 104 | 134.9 Ų | 134.9 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -125.6 | 145.3 | -156.2 | -44.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 56 | S | 34.3 | Very low | 35.6 | Very low | 133 Ų | 133 | 135 Ų | 135 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | -135.6 | 135.3 | 160.9 | -77.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 57 | L | 35.6 | Very low | 35.6 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -131.6 | 112.4 | -168.7 | -167.3 | 158.2 | 0 | 0 | 0 | 107.9 | ||||
| 58 | D | 32.8 | Very low | 35.6 | Very low | 167 Ų | 167 | 134 Ų | 134 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | -132 | 140.1 | 179.2 | -176 | 35 | 0 | 0 | 0 | 109.2 | ||||
| 59 | G | 32.6 | Very low | 35 | Very low | 56 Ų | 56 | 134.8 Ų | 134.8 | 58% | 0.577 | 80% | 0.804 | S | S | * | * | trans | 171.5 | 123.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 60 | P | 43.1 | Very low | 35.1 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 153.5 | -169.7 | 32.7 | -36.1 | 0 | 0 | 0 | 113.8 | ||
| 61 | P | 44 | Very low | 35 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -83 | 147.8 | 179.4 | 33.6 | -35.3 | 0 | 0 | 0 | 113.4 | ||
| 62 | G | 32.1 | Very low | 35.3 | Very low | 67 Ų | 67 | 132.6 Ų | 132.6 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 162.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 63 | P | 41.2 | Very low | 35.3 | Very low | 129 Ų | 129 | 132 Ų | 132 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 157.9 | -179.8 | 34.7 | -35.6 | 0 | 0 | 0 | 112.8 | ||
| 64 | Q | 35.6 | Very low | 35.2 | Very low | 195 Ų | 195 | 133.8 Ų | 133.8 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -137.1 | 134.4 | 161.1 | -72.3 | -164.2 | -36.7 | 0 | 0 | 110.3 | ||||
| 65 | D | 32 | Very low | 35.3 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | -74.8 | 150.4 | 169.9 | -76 | -62.3 | 0 | 0 | 0 | 111.5 | ||||
| 66 | G | 33.7 | Very low | 35.3 | Very low | 70 Ų | 70 | 135.6 Ų | 135.6 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | trans | -138.7 | 63.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T68 | G66-T68 PolarHBondContact O-N 3.41Š| ||
| 67 | T | 34.5 | Very low | 35.8 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 82% | 0.816 | 81% | 0.814 | S | S | * | * | trans | -70.6 | 108.1 | 176.2 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 68 | T | 31.9 | Very low | 35.8 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -128.9 | 125.2 | 164.5 | 52 | 0 | 0 | 0 | 0 | 110.4 | G66 | G66-T68 PolarHBondContact O-N 3.41Š| ||
| 69 | V | 36 | Very low | 36.6 | Very low | 131 Ų | 131 | 131 Ų | 131 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 127.7 | 179.9 | -176.7 | 0 | 0 | 0 | 0 | 109 | ||
| 70 | P | 37.3 | Very low | 37.2 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 132.1 | 174.6 | 31.2 | -32.6 | 0 | 0 | 0 | 111.2 | ||
| 71 | L | 30.1 | Very low | 37.3 | Very low | 174 Ų | 174 | 130.6 Ų | 130.6 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 137.7 | 174.9 | 178.7 | 64.5 | 0 | 0 | 0 | 111.3 | ||
| 72 | E | 37.9 | Very low | 37.6 | Very low | 190 Ų | 190 | 132.1 Ų | 132.1 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 144.5 | 177.6 | -62.5 | -170.3 | 122.3 | 0 | 0 | 112.8 | ||
| 73 | G | 34.5 | Very low | 38.5 | Very low | 62 Ų | 62 | 136 Ų | 136 | 64% | 0.639 | 81% | 0.805 | S | S | * | * | trans | -170 | 92.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 74 | F | 32.8 | Very low | 39 | Very low | 215 Ų | 215 | 135.2 Ų | 135.2 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | trans | 56.6 | 92.3 | 161 | -59.8 | -81.5 | 0 | 0 | 0 | 119.1 | ||||
| 75 | S | 32.3 | Very low | 39.8 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -155.5 | 113.4 | 142.5 | -168.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 76 | L | 38.1 | Very low | 40.5 | Very low | 166 Ų | 166 | 129.6 Ų | 129.6 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | -155.5 | 73.6 | 166.2 | -162.9 | 69.4 | 0 | 0 | 0 | 113.3 | ||||
| 77 | S | 42.9 | Very low | 41.3 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -153.6 | 32.5 | 167.2 | 54.8 | 0 | 0 | 0 | 0 | 115.2 | ||
| 78 | H | 36.8 | Very low | 42.1 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | -150 | 66.5 | 161.9 | -134.5 | -92.6 | 0 | 0 | 0 | 114.3 | A80 | H78-A80 PolarHBondContact O-N 3.22Š| ||
| 79 | A | 48.3 | Very low | 43.2 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | trans | -75.3 | 47.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 80 | A | 47 | Very low | 44.2 | Very low | 76 Ų | 76 | 141 Ų | 141 | 63% | 0.628 | 77% | 0.769 | S | S | * | * | trans | -155.4 | 37.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115 | H78 | H78-A80 PolarHBondContact O-N 3.22Š| ||
| 81 | D | 43.9 | Very low | 45.6 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 53% | 0.529 | 75% | 0.752 | S | S | . | * | trans | -152.8 | 50.4 | 172.4 | -143.9 | -9.3 | 0 | 0 | 0 | 115.9 | ||||
| 82 | L | 51 | Low | 47.7 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -108.6 | 9.8 | 175.7 | -72.7 | 177.5 | 0 | 0 | 0 | 114.4 | ||
| 83 | V | 51.2 | Low | 49.3 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 90% | 0.903 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -103 | -16.7 | 178.7 | 177.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 84 | N | 51.4 | Low | 51.5 | Low | 112 Ų | 112 | 133.7 Ų | 133.7 | 60% | 0.599 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -121.4 | 58.9 | -178.8 | -153 | -19.6 | 0 | 0 | 0 | 114.5 | ||
| 85 | R | 51.8 | Low | 53.8 | Low | 173 Ų | 173 | 127.4 Ų | 127.4 | 65% | 0.653 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -122 | 7 | 170.4 | -153.2 | 172.1 | -65.8 | -120.4 | -0.8 | 113.9 | ||
| 86 | G | 47 | Very low | 56.1 | Low | 71 Ų | 71 | 126 Ų | 126 | 73% | 0.732 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -91.7 | -24.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 87 | Q | 50.1 | Low | 58.4 | Low | 164 Ų | 164 | 120 Ų | 120 | 77% | 0.766 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -121.1 | 64.1 | -168.4 | -63.9 | -174.7 | -85.1 | 0 | 0 | 113 | ||
| 88 | K | 52.6 | Low | 60.4 | Low | 134 Ų | 134 | 120.3 Ų | 120.3 | 58% | 0.583 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -146.1 | 23.5 | 174.3 | 58.5 | -171.2 | 171.7 | -163.4 | 0 | 115.7 | ||
| 89 | W | 53.3 | Low | 62.9 | Low | 228 Ų | 228 | 116.3 Ų | 116.3 | 86% | 0.864 | 62% | 0.623 | S | S | * | * | trans | -126.8 | 3.6 | 172.6 | -68.8 | 109.6 | 0 | 0 | 0 | 113.7 | K91 | W89-K91 PolarHBondContact O-N 3.42Š| ||
| 90 | E | 57.4 | Low | 64.8 | Low | 176 Ų | 176 | 113.5 Ų | 113.5 | 82% | 0.822 | 60% | 0.599 | S | S | * | * | trans | -76.5 | 51.5 | 168.3 | -67.4 | -171.8 | 179.2 | 0 | 0 | 111.6 | ||||
| 91 | K | 66.4 | Low | 66.8 | Low | 86 Ų | 86 | 117 Ų | 117 | 37% | 0.374 | 60% | 0.6 | S | S | . | * | trans | -68.1 | 133 | 154.2 | -70.2 | -169.3 | 163 | 176.8 | 0 | 107.2 | W89 E95 I96 | W89-K91 PolarHBondContact O-N 3.42Å; K91-E95 VanDerWaalsContact CA-OE2 3.25Å; K91-E95 WeakPolarHBondContact CA-OE2 3.26Å; K91-E95 HydrophobicContact CB-CB 4.5Å; K91-E95 HydrophobicContact CB-CG 4.39Å; K91-E95 WeakPolarHBondContact CE-OE1 3.3Å; K91-E95 WeakPolarHBondContact CG-OE1 3.3Å; K91-I96 HydrophobicContact CB-CD1 4.18Å; K91-I96 HydrophobicContact CB-CG1 3.7Å | ||
| 92 | S | 74.8 | Confident | 69 | Low | 70 Ų | 70 | 117 Ų | 117 | 49% | 0.49 | 60% | 0.597 | S | S | . | * | trans | -59.9 | 147.5 | 178 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | A94 E95 I96 | S92-A94 PolarHBondContact O-N 3.03Å; S92-A94 PolarHBondContact OG-N 3.3Å; S92-E95 PolarHBondContact N-OE2 3.3Å; S92-E95 VanDerWaalsContact N-OE2 3.16Å; S92-E95 CarbonylContact O-C 3.59Å; S92-E95 WeakPolarHBondContact O-CA 3.38Å; S92-E95 WeakPolarHBondContact O-CB 3.36Å; S92-E95 PolarHBondContact O-N 3.22Å; S92-I96 WeakPolarHBondContact O-CG1 3.42Å; S92-I96 PolarHBondContact O-N 3.43Å | ||
| 93 | H | 71 | Confident | 70.8 | Confident | 162 Ų | 162 | 113.9 Ų | 113.9 | 75% | 0.75 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -57.2 | -25.6 | 172.6 | -169.6 | -50.2 | 0 | 0 | 0 | 111.6 | A97 | H93-A97 VanDerWaalsContact O-CB 3.3Å; H93-A97 WeakPolarHBondContact O-CB 3.38Å; H93-A97 PolarHBondContact O-N 2.76Å; H93-A97 VanDerWaalsContact O-N 3.16Å |
| 94 | A | 80.4 | Confident | 72.7 | Confident | 69 Ų | 69 | 109 Ų | 109 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.7 | -43 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S92 A97 E98 | S92-A94 PolarHBondContact O-N 3.03Å; S92-A94 PolarHBondContact OG-N 3.3Å; A94-A97 CarbonylContact O-C 3.59Å; A94-A97 PolarHBondContact O-N 3.4Å; A94-E98 WeakPolarHBondContact O-CB 3.3Å; A94-E98 PolarHBondContact O-N 2.6Å |
| 95 | E | 81.3 | Confident | 74.7 | Confident | 83 Ų | 83 | 109.5 Ų | 109.5 | 39% | 0.388 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.2 | -39 | 178.9 | -175 | -168.2 | 163.4 | 0 | 0 | 111.8 | K91 S92 A97 E98 Q99 | K91-E95 VanDerWaalsContact CA-OE2 3.25Å; K91-E95 WeakPolarHBondContact CA-OE2 3.26Å; K91-E95 HydrophobicContact CB-CB 4.5Å; K91-E95 HydrophobicContact CB-CG 4.39Å; K91-E95 WeakPolarHBondContact CE-OE1 3.3Å; K91-E95 WeakPolarHBondContact CG-OE1 3.3Å; S92-E95 PolarHBondContact N-OE2 3.3Å; S92-E95 VanDerWaalsContact N-OE2 3.16Å; S92-E95 CarbonylContact O-C 3.59Å; S92-E95 WeakPolarHBondContact O-CA 3.38Å; S92-E95 WeakPolarHBondContact O-CB 3.36Å; S92-E95 PolarHBondContact O-N 3.22Å; E95-A97 VanDerWaalsContact C-N 3.32Å; E95-A97 PolarHBondContact O-N 3.05Å; E95-E98 PolarHBondContact O-N 3.07Å; E95-Q99 WeakPolarHBondContact O-CB 3.34Å; E95-Q99 PolarHBondContact O-N 2.9Å |
| 96 | I | 81.6 | Confident | 76.6 | Confident | 91 Ų | 91 | 106 Ų | 106 | 47% | 0.467 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 171.8 | -62.5 | 170.9 | 0 | 0 | 0 | 110 | K91 S92 E98 A100 | K91-I96 HydrophobicContact CB-CD1 4.18Å; K91-I96 HydrophobicContact CB-CG1 3.7Å; S92-I96 WeakPolarHBondContact O-CG1 3.42Å; S92-I96 PolarHBondContact O-N 3.43Å; I96-E98 VanDerWaalsContact C-N 3.31Å; I96-E98 PolarHBondContact O-N 3.07Å; I96-A100 VanDerWaalsContact O-CB 3.28Å; I96-A100 WeakPolarHBondContact O-CB 3.36Å; I96-A100 PolarHBondContact O-N 3.01Å |
| 97 | A | 85.8 | Confident | 78.6 | Confident | 39 Ų | 39 | 109.4 Ų | 109.4 | 32% | 0.322 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72.5 | -20.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | H93 A94 E95 K101 | H93-A97 VanDerWaalsContact O-CB 3.3Å; H93-A97 WeakPolarHBondContact O-CB 3.38Å; H93-A97 PolarHBondContact O-N 2.76Å; H93-A97 VanDerWaalsContact O-N 3.16Å; A94-A97 CarbonylContact O-C 3.59Å; A94-A97 PolarHBondContact O-N 3.4Å; E95-A97 VanDerWaalsContact C-N 3.32Å; E95-A97 PolarHBondContact O-N 3.05Å; A97-K101 WeakPolarHBondContact O-CD 3.35Å; A97-K101 WeakPolarHBondContact O-CG 3.44Å; A97-K101 PolarHBondContact O-N 3.15Å |
| 98 | E | 85.9 | Confident | 80.6 | Confident | 116 Ų | 116 | 105.4 Ų | 105.4 | 54% | 0.542 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -81.3 | -45.4 | 172.8 | -175 | 166.7 | -147.9 | 0 | 0 | 111.1 | A94 E95 I96 A100 K101 H102 | A94-E98 WeakPolarHBondContact O-CB 3.3Å; A94-E98 PolarHBondContact O-N 2.6Å; E95-E98 PolarHBondContact O-N 3.07Å; I96-E98 VanDerWaalsContact C-N 3.31Å; I96-E98 PolarHBondContact O-N 3.07Å; E98-A100 VanDerWaalsContact C-N 3.35Å; E98-A100 PolarHBondContact O-N 3.38Å; E98-K101 WeakPolarHBondContact O-CB 3.34Å; E98-K101 PolarHBondContact O-N 3.01Å; E98-K101 VanDerWaalsContact O-N 3.13Å; E98-H102 PolarHBondContact O-N 3.03Å |
| 99 | Q | 87.9 | Confident | 82.5 | Confident | 73 Ų | 73 | 104 Ų | 104 | 34% | 0.341 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.2 | -47.4 | 170.9 | -179.3 | 177.4 | -20.9 | 0 | 0 | 111.1 | E95 K101 H102 E103 | E95-Q99 WeakPolarHBondContact O-CB 3.34Å; E95-Q99 PolarHBondContact O-N 2.9Å; Q99-K101 VanDerWaalsContact C-N 3.26Å; Q99-K101 PolarHBondContact O-N 3.16Å; Q99-H102 PolarHBondContact O-N 2.93Å; Q99-H102 VanDerWaalsContact O-N 3.15Å; Q99-E103 HydrophobicContact CG-CG 4.4Å; Q99-E103 WeakPolarHBondContact CG-OE1 3.44Å; Q99-E103 PolarHBondContact NE2-OE1 3.33Å; Q99-E103 WeakPolarHBondContact O-CG 3.31Å; Q99-E103 PolarHBondContact O-N 3.44Å |
| 100 | A | 88.1 | Confident | 84.2 | Confident | 50 Ų | 50 | 95 Ų | 95 | 41% | 0.413 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -29.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I96 E98 A104 | I96-A100 VanDerWaalsContact O-CB 3.28Å; I96-A100 WeakPolarHBondContact O-CB 3.36Å; I96-A100 PolarHBondContact O-N 3.01Å; E98-A100 VanDerWaalsContact C-N 3.35Å; E98-A100 PolarHBondContact O-N 3.38Å; A100-A104 VanDerWaalsContact O-CB 3.28Å; A100-A104 WeakPolarHBondContact O-CB 3.47Å; A100-A104 PolarHBondContact O-N 3.06Å |
| 101 | K | 90.1 | Very high | 85.6 | Confident | 149 Ų | 149 | 89.1 Ų | 89.1 | 65% | 0.648 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -70.7 | -44.5 | 172.2 | -77.1 | 165.4 | -172.5 | 171.6 | 0 | 111.7 | A97 E98 Q99 E103 A104 E105 | A97-K101 WeakPolarHBondContact O-CD 3.35Å; A97-K101 WeakPolarHBondContact O-CG 3.44Å; A97-K101 PolarHBondContact O-N 3.15Å; E98-K101 WeakPolarHBondContact O-CB 3.34Å; E98-K101 PolarHBondContact O-N 3.01Å; E98-K101 VanDerWaalsContact O-N 3.13Å; Q99-K101 VanDerWaalsContact C-N 3.26Å; Q99-K101 PolarHBondContact O-N 3.16Å; K101-E103 VanDerWaalsContact C-N 3.35Å; K101-A104 PolarHBondContact O-N 3.49Å; K101-E105 VanDerWaalsContact O-CB 3.28Å; K101-E105 WeakPolarHBondContact O-CB 3.2Å; K101-E105 PolarHBondContact O-N 2.86Å |
| 102 | H | 90.2 | Very high | 86.7 | Confident | 100 Ų | 100 | 89 Ų | 89 | 46% | 0.463 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66 | -37.4 | 176.2 | -75.8 | -48.3 | 0 | 0 | 0 | 112.2 | E98 Q99 E105 I106 | E98-H102 PolarHBondContact O-N 3.03Å; Q99-H102 PolarHBondContact O-N 2.93Å; Q99-H102 VanDerWaalsContact O-N 3.15Å; H102-E105 IonicContact CE1-OE2 2.73Å; H102-E105 IonicContact ND1-OE2 3.66Å; H102-E105 PolarHBondContact ND1-OE2 3.3Å; H102-E105 VanDerWaalsContact ND1-OE2 3.12Å; H102-E105 PolarHBondContact O-N 3.36Å; H102-I106 WeakPolarHBondContact O-CB 3.36Å; H102-I106 WeakPolarHBondContact O-CD1 3.09Å; H102-I106 WeakPolarHBondContact O-CG1 3.49Å; H102-I106 PolarHBondContact O-N 3.32Å |
| 103 | E | 88.9 | Confident | 87.4 | Confident | 97 Ų | 97 | 87.6 Ų | 87.6 | 45% | 0.453 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 172.7 | -73.2 | 170.9 | -178.1 | 0 | 0 | 111 | Q99 K101 E105 I106 E107 | Q99-E103 HydrophobicContact CG-CG 4.4Å; Q99-E103 WeakPolarHBondContact CG-OE1 3.44Å; Q99-E103 PolarHBondContact NE2-OE1 3.33Å; Q99-E103 WeakPolarHBondContact O-CG 3.31Å; Q99-E103 PolarHBondContact O-N 3.44Å; K101-E103 VanDerWaalsContact C-N 3.35Å; E103-E105 PolarHBondContact O-N 2.97Å; E103-I106 PolarHBondContact O-N 3.32Å; E103-E107 WeakPolarHBondContact O-CG 3.42Å; E103-E107 PolarHBondContact O-N 3.38Å |
| 104 | A | 90.3 | Very high | 88.1 | Confident | 47 Ų | 47 | 85 Ų | 85 | 39% | 0.388 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.7 | -32.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A100 K101 T108 | A100-A104 VanDerWaalsContact O-CB 3.28Å; A100-A104 WeakPolarHBondContact O-CB 3.47Å; A100-A104 PolarHBondContact O-N 3.06Å; K101-A104 PolarHBondContact O-N 3.49Å; A104-T108 VanDerWaalsContact O-CB 3.26Å; A104-T108 WeakPolarHBondContact O-CB 3.35Å; A104-T108 PolarHBondContact O-N 2.83Å; A104-T108 PolarHBondContact O-OG1 3.11Å |
| 105 | E | 93.7 | Very high | 88.4 | Confident | 121 Ų | 121 | 90.8 Ų | 90.8 | 57% | 0.565 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -67.1 | -43.7 | 173.2 | -179.1 | 177.1 | -150.8 | 0 | 0 | 111 | K101 H102 E103 T108 R109 | K101-E105 VanDerWaalsContact O-CB 3.28Å; K101-E105 WeakPolarHBondContact O-CB 3.2Å; K101-E105 PolarHBondContact O-N 2.86Å; H102-E105 IonicContact CE1-OE2 2.73Å; H102-E105 IonicContact ND1-OE2 3.66Å; H102-E105 PolarHBondContact ND1-OE2 3.3Å; H102-E105 VanDerWaalsContact ND1-OE2 3.12Å; H102-E105 PolarHBondContact O-N 3.36Å; E103-E105 PolarHBondContact O-N 2.97Å; E105-T108 PolarHBondContact O-N 3.38Å; E105-R109 PolarHBondContact O-N 2.95Å |
| 106 | I | 92.5 | Very high | 88.8 | Confident | 100 Ų | 100 | 91.3 Ų | 91.3 | 51% | 0.513 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 173.5 | -71.2 | 163.2 | 0 | 0 | 0 | 110.5 | H102 E103 T108 R109 I110 | H102-I106 WeakPolarHBondContact O-CB 3.36Å; H102-I106 WeakPolarHBondContact O-CD1 3.09Å; H102-I106 WeakPolarHBondContact O-CG1 3.49Å; H102-I106 PolarHBondContact O-N 3.32Å; E103-I106 PolarHBondContact O-N 3.32Å; I106-T108 VanDerWaalsContact C-N 3.33Å; I106-T108 PolarHBondContact O-N 3.04Å; I106-R109 PolarHBondContact O-N 2.79Å; I106-I110 HydrophobicContact CG2-CD1 3.66Å; I106-I110 HydrophobicContact CG2-CG1 4.42Å; I106-I110 WeakPolarHBondContact O-CB 3.37Å; I106-I110 WeakPolarHBondContact O-CG1 3.47Å; I106-I110 PolarHBondContact O-N 3.11Å |
| 107 | E | 89.3 | Confident | 88.7 | Confident | 142 Ų | 142 | 89.8 Ų | 89.8 | 66% | 0.664 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61 | -41.9 | 175.8 | -74.8 | -169.6 | 159.3 | 0 | 0 | 112 | E103 I110 A111 | E103-E107 WeakPolarHBondContact O-CG 3.42Å; E103-E107 PolarHBondContact O-N 3.38Å; E107-I110 PolarHBondContact O-N 3.34Å; E107-A111 WeakPolarHBondContact O-CB 3.47Å; E107-A111 PolarHBondContact O-N 3.31Å |
| 108 | T | 91.9 | Very high | 88.3 | Confident | 80 Ų | 80 | 95.9 Ų | 95.9 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 175.8 | -60.3 | 0 | 0 | 0 | 0 | 110.7 | A104 E105 I106 I110 A111 E112 | A104-T108 VanDerWaalsContact O-CB 3.26Å; A104-T108 WeakPolarHBondContact O-CB 3.35Å; A104-T108 PolarHBondContact O-N 2.83Å; A104-T108 PolarHBondContact O-OG1 3.11Å; E105-T108 PolarHBondContact O-N 3.38Å; I106-T108 VanDerWaalsContact C-N 3.33Å; I106-T108 PolarHBondContact O-N 3.04Å; T108-I110 VanDerWaalsContact C-N 3.33Å; T108-I110 PolarHBondContact O-N 3Å; T108-A111 CarbonylContact O-C 3.59Å; T108-A111 WeakPolarHBondContact O-CB 3.43Å; T108-A111 PolarHBondContact O-N 2.78Å; T108-A111 VanDerWaalsContact O-N 3.12Å; T108-E112 WeakPolarHBondContact O-CG 3.32Å; T108-E112 PolarHBondContact O-N 2.84Å |
| 109 | R | 92.5 | Very high | 88.1 | Confident | 104 Ų | 104 | 96 Ų | 96 | 39% | 0.392 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68 | -32.3 | 178.8 | -171.4 | 62.9 | -162.1 | 141.1 | 11.1 | 112.4 | E105 I106 E112 L113 E116 | E105-R109 PolarHBondContact O-N 2.95Å; I106-R109 PolarHBondContact O-N 2.79Å; R109-E112 WeakPolarHBondContact CD-OE2 3.44Å; R109-E112 IonicContact CZ-OE2 2.95Å; R109-E112 IonicContact NE-OE2 3.7Å; R109-E112 IonicContact NH1-OE2 3.74Å; R109-E112 PolarHBondContact NH1-OE2 3.19Å; R109-E112 PolarHBondContact O-N 2.82Å; R109-L113 HydrophobicContact CG-CD1 4.31Å; R109-L113 VanDerWaalsContact NH2-CD2 3.33Å; R109-L113 WeakPolarHBondContact O-CB 3.27Å; R109-L113 VanDerWaalsContact O-CG 3.25Å; R109-L113 WeakPolarHBondContact O-CG 3.41Å; R109-L113 PolarHBondContact O-N 2.84Å; R109-E116 IonicContact CZ-OE1 3.9Å; R109-E116 IonicContact CZ-OE2 3.54Å; R109-E116 IonicContact NH1-OE1 2.65Å; R109-E116 PolarHBondContact NH1-OE1 2.89Å; R109-E116 IonicContact NH1-OE2 3.28Å; R109-E116 IonicContact NH2-OE1 2.75Å; R109-E116 IonicContact NH2-OE2 2.8Å; R109-E116 PolarHBondContact NH2-OE2 2.88Å |
| 110 | I | 88.1 | Confident | 87.5 | Confident | 39 Ų | 39 | 95.6 Ų | 95.6 | 20% | 0.2 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -67.2 | -39.3 | 171 | -70.2 | 167.7 | 0 | 0 | 0 | 110.7 | I106 E107 T108 L113 R114 | I106-I110 HydrophobicContact CG2-CD1 3.66Å; I106-I110 HydrophobicContact CG2-CG1 4.42Å; I106-I110 WeakPolarHBondContact O-CB 3.37Å; I106-I110 WeakPolarHBondContact O-CG1 3.47Å; I106-I110 PolarHBondContact O-N 3.11Å; E107-I110 PolarHBondContact O-N 3.34Å; T108-I110 VanDerWaalsContact C-N 3.33Å; T108-I110 PolarHBondContact O-N 3Å; I110-L113 PolarHBondContact O-N 2.84Å; I110-R114 HydrophobicContact CG2-CG 4.49Å; I110-R114 WeakPolarHBondContact O-CB 3.28Å; I110-R114 WeakPolarHBondContact O-CD 3.32Å; I110-R114 WeakPolarHBondContact O-CG 3.32Å; I110-R114 PolarHBondContact O-N 2.9Å |
| 111 | A | 86.9 | Confident | 86.5 | Confident | 53 Ų | 53 | 100 Ų | 100 | 44% | 0.438 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E107 T108 R114 K115 | E107-A111 WeakPolarHBondContact O-CB 3.47Å; E107-A111 PolarHBondContact O-N 3.31Å; T108-A111 CarbonylContact O-C 3.59Å; T108-A111 WeakPolarHBondContact O-CB 3.43Å; T108-A111 PolarHBondContact O-N 2.78Å; T108-A111 VanDerWaalsContact O-N 3.12Å; A111-R114 PolarHBondContact O-N 2.99Å; A111-K115 VanDerWaalsContact O-CB 3.3Å; A111-K115 WeakPolarHBondContact O-CB 3.46Å; A111-K115 PolarHBondContact O-N 3.14Å |
| 112 | E | 90.2 | Very high | 86 | Confident | 84 Ų | 84 | 101.2 Ų | 101.2 | 39% | 0.393 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -51.3 | 170.8 | -71.4 | 179.6 | 163 | 0 | 0 | 111.5 | T108 R109 R114 K115 E116 | T108-E112 WeakPolarHBondContact O-CG 3.32Å; T108-E112 PolarHBondContact O-N 2.84Å; R109-E112 WeakPolarHBondContact CD-OE2 3.44Å; R109-E112 IonicContact CZ-OE2 2.95Å; R109-E112 IonicContact NE-OE2 3.7Å; R109-E112 IonicContact NH1-OE2 3.74Å; R109-E112 PolarHBondContact NH1-OE2 3.19Å; R109-E112 PolarHBondContact O-N 2.82Å; E112-R114 VanDerWaalsContact C-N 3.26Å; E112-R114 PolarHBondContact O-N 2.84Å; E112-K115 CarbonylContact O-C 3.56Å; E112-K115 WeakPolarHBondContact O-CA 3.47Å; E112-K115 WeakPolarHBondContact O-CB 3.49Å; E112-K115 PolarHBondContact O-N 2.72Å; E112-E116 WeakPolarHBondContact O-CB 3.37Å; E112-E116 VanDerWaalsContact O-CG 3.29Å; E112-E116 WeakPolarHBondContact O-CG 3.48Å; E112-E116 PolarHBondContact O-N 2.78Å |
| 113 | L | 88.8 | Confident | 85.2 | Confident | 40 Ų | 40 | 107.2 Ų | 107.2 | 21% | 0.209 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -61.5 | -33.2 | 178.1 | -70.1 | 165.7 | 0 | 0 | 0 | 112.6 | R109 I110 G117 F118 W119 | R109-L113 HydrophobicContact CG-CD1 4.31Å; R109-L113 VanDerWaalsContact NH2-CD2 3.33Å; R109-L113 WeakPolarHBondContact O-CB 3.27Å; R109-L113 VanDerWaalsContact O-CG 3.25Å; R109-L113 WeakPolarHBondContact O-CG 3.41Å; R109-L113 PolarHBondContact O-N 2.84Å; I110-L113 PolarHBondContact O-N 2.84Å; L113-G117 CarbonylContact O-C 3.55Å; L113-G117 PolarHBondContact O-N 3.22Å; L113-G117 VanDerWaalsContact O-N 3.1Å; L113-F118 HydrophobicContact CD2-CB 3.94Å; L113-F118 PolarHBondContact O-N 3.28Å; L113-W119 HydrophobicContact CB-CB 3.76Å; L113-W119 HydrophobicContact CD1-CE3 4.24Å; L113-W119 PolarHBondContact O-N 2.96Å |
| 114 | R | 86.1 | Confident | 84.6 | Confident | 109 Ų | 109 | 108.9 Ų | 108.9 | 41% | 0.411 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.8 | -33.7 | 172.1 | -74.8 | 166.4 | -179.2 | 164.3 | 3.2 | 112.6 | I110 A111 E112 W119 L121 | I110-R114 HydrophobicContact CG2-CG 4.49Å; I110-R114 WeakPolarHBondContact O-CB 3.28Å; I110-R114 WeakPolarHBondContact O-CD 3.32Å; I110-R114 WeakPolarHBondContact O-CG 3.32Å; I110-R114 PolarHBondContact O-N 2.9Å; A111-R114 PolarHBondContact O-N 2.99Å; E112-R114 VanDerWaalsContact C-N 3.26Å; E112-R114 PolarHBondContact O-N 2.84Å; R114-W119 HydrophobicContact CG-CB 3.94Å; R114-W119 HydrophobicContact CG-CG 4.06Å; R114-L121 HydrophobicContact CB-CD2 3.96Å; R114-L121 HydrophobicContact CB-CG 4.24Å; R114-L121 HydrophobicContact CG-CD2 4.05Å; R114-L121 HydrophobicContact CG-CG 4.36Å |
| 115 | K | 86.6 | Confident | 83.9 | Confident | 190 Ų | 190 | 112.1 Ų | 112.1 | 83% | 0.826 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -79.2 | -36.2 | 177.6 | 179.8 | -173.6 | 175.2 | -171.1 | 0 | 112.6 | A111 E112 G117 | A111-K115 VanDerWaalsContact O-CB 3.3Å; A111-K115 WeakPolarHBondContact O-CB 3.46Å; A111-K115 PolarHBondContact O-N 3.14Å; E112-K115 CarbonylContact O-C 3.56Å; E112-K115 WeakPolarHBondContact O-CA 3.47Å; E112-K115 WeakPolarHBondContact O-CB 3.49Å; E112-K115 PolarHBondContact O-N 2.72Å; K115-G117 PolarHBondContact O-N 2.79Å |
| 116 | E | 89.1 | Confident | 83.2 | Confident | 93 Ų | 93 | 115.2 Ų | 115.2 | 44% | 0.435 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -73.1 | -15 | 172.6 | -67.9 | 167.1 | -168.5 | 0 | 0 | 112 | R109 E112 F118 | R109-E116 IonicContact CZ-OE1 3.9Å; R109-E116 IonicContact CZ-OE2 3.54Å; R109-E116 IonicContact NH1-OE1 2.65Å; R109-E116 PolarHBondContact NH1-OE1 2.89Å; R109-E116 IonicContact NH1-OE2 3.28Å; R109-E116 IonicContact NH2-OE1 2.75Å; R109-E116 IonicContact NH2-OE2 2.8Å; R109-E116 PolarHBondContact NH2-OE2 2.88Å; E112-E116 WeakPolarHBondContact O-CB 3.37Å; E112-E116 VanDerWaalsContact O-CG 3.29Å; E112-E116 WeakPolarHBondContact O-CG 3.48Å; E112-E116 PolarHBondContact O-N 2.78Å; E116-F118 VanDerWaalsContact C-N 3.34Å; E116-F118 HydrophobicContact CB-CD2 3.59Å; E116-F118 HydrophobicContact CB-CE2 4Å |
| 117 | G | 79.6 | Confident | 82.7 | Confident | 59 Ų | 59 | 116 Ų | 116 | 61% | 0.608 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.4 | -4.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L113 K115 W119 | L113-G117 CarbonylContact O-C 3.55Å; L113-G117 PolarHBondContact O-N 3.22Å; L113-G117 VanDerWaalsContact O-N 3.1Å; K115-G117 PolarHBondContact O-N 2.79Å; G117-W119 VanDerWaalsContact C-N 3.27Å; G117-W119 PolarHBondContact O-N 3.42Å |
| 118 | F | 77.6 | Confident | 82.4 | Confident | 167 Ų | 167 | 114.9 Ų | 114.9 | 73% | 0.732 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -73.7 | -11.4 | 178 | -63.5 | -61.2 | 0 | 0 | 0 | 114.4 | L113 E116 | L113-F118 HydrophobicContact CD2-CB 3.94Å; L113-F118 PolarHBondContact O-N 3.28Å; E116-F118 VanDerWaalsContact C-N 3.34Å; E116-F118 HydrophobicContact CB-CD2 3.59Å; E116-F118 HydrophobicContact CB-CE2 4Å |
| 119 | W | 81 | Confident | 81.9 | Confident | 120 Ų | 120 | 119.3 Ų | 119.3 | 46% | 0.455 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -124.4 | 123.2 | 173.6 | -167.3 | -65.3 | 0 | 0 | 0 | 111.2 | L113 R114 G117 L121 | L113-W119 HydrophobicContact CB-CB 3.76Å; L113-W119 HydrophobicContact CD1-CE3 4.24Å; L113-W119 PolarHBondContact O-N 2.96Å; R114-W119 HydrophobicContact CG-CB 3.94Å; R114-W119 HydrophobicContact CG-CG 4.06Å; G117-W119 VanDerWaalsContact C-N 3.27Å; G117-W119 PolarHBondContact O-N 3.42Å; W119-L121 PolarHBondContact O-N 3.35Å |
| 120 | S | 76.2 | Confident | 81.6 | Confident | 63 Ų | 63 | 120 Ų | 120 | 44% | 0.441 | 61% | 0.61 | S | S | . | * | trans | -68 | 121.3 | -178.4 | 63.9 | 0 | 0 | 0 | 0 | 111.8 | K122 | S120-K122 WeakPolarHBondContact CB-O 3.28Å; S120-K122 PolarHBondContact O-N 2.8Å; S120-K122 VanDerWaalsContact O-N 3.12Å; S120-K122 PolarHBondContact OG-O 2.83Å | ||
| 121 | L | 67.5 | Low | 81.4 | Confident | 143 Ų | 143 | 124.2 Ų | 124.2 | 75% | 0.749 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -60.8 | -17 | 174.6 | -79 | 159.4 | 0 | 0 | 0 | 113.7 | R114 W119 | R114-L121 HydrophobicContact CB-CD2 3.96Å; R114-L121 HydrophobicContact CB-CG 4.24Å; R114-L121 HydrophobicContact CG-CD2 4.05Å; R114-L121 HydrophobicContact CG-CG 4.36Å; W119-L121 PolarHBondContact O-N 3.35Å |
| 122 | K | 78.3 | Confident | 81.5 | Confident | 175 Ų | 175 | 129.4 Ų | 129.4 | 76% | 0.761 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -111.4 | 146.4 | 175.5 | -62 | 178.2 | -179.1 | 178.6 | 0 | 109.1 | S120 L124 | S120-K122 WeakPolarHBondContact CB-O 3.28Å; S120-K122 PolarHBondContact O-N 2.8Å; S120-K122 VanDerWaalsContact O-N 3.12Å; S120-K122 PolarHBondContact OG-O 2.83Å; K122-L124 PolarHBondContact O-N 3.41Å |
| 123 | R | 74.8 | Confident | 81.6 | Confident | 226 Ų | 226 | 130.5 Ų | 130.5 | 85% | 0.853 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -54 | 133.2 | 162.4 | -175.1 | 178.4 | -176.1 | 165.4 | 3.9 | 107.5 | ||
| 124 | L | 75.2 | Confident | 81.8 | Confident | 132 Ų | 132 | 133.6 Ų | 133.6 | 69% | 0.691 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 140.5 | 175.5 | -66 | 174.8 | 0 | 0 | 0 | 109.4 | K122 K126 | K122-L124 PolarHBondContact O-N 3.41Å; L124-K126 PolarHBondContact O-N 3.42Å |
| 125 | P | 75.3 | Confident | 82.2 | Confident | 114 Ų | 114 | 129.7 Ų | 129.7 | 74% | 0.74 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 137.5 | 172.4 | -25.4 | 34.4 | 0 | 0 | 0 | 109.7 | V127 | P125-V127 PolarHBondContact O-N 3.3Š|
| 126 | K | 79.4 | Confident | 82.6 | Confident | 187 Ų | 187 | 128.2 Ų | 128.2 | 81% | 0.813 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 120.9 | 169.1 | -76.3 | -171.5 | 175.2 | -172.6 | 0 | 106.9 | L124 | L124-K126 PolarHBondContact O-N 3.42Š|
| 127 | V | 83.4 | Confident | 83 | Confident | 116 Ų | 116 | 132.9 Ų | 132.9 | 70% | 0.703 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 128.5 | 169.6 | 178.7 | 0 | 0 | 0 | 0 | 106.5 | P125 E129 | P125-V127 PolarHBondContact O-N 3.3Å; V127-E129 PolarHBondContact O-N 2.82Å |
| 128 | P | 81.4 | Confident | 83.7 | Confident | 119 Ų | 119 | 132.2 Ų | 132.2 | 77% | 0.773 | 66% | 0.66 | S | S | * | * | trans | -67.3 | 101.9 | 171.5 | 27.6 | -31.9 | 0 | 0 | 0 | 107.5 | ||||
| 129 | E | 82.3 | Confident | 84.6 | Confident | 173 Ų | 173 | 129.9 Ų | 129.9 | 81% | 0.808 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 133.9 | 172.2 | -71 | 173.3 | -162.8 | 0 | 0 | 108.5 | V127 | V127-E129 PolarHBondContact O-N 2.82Š|
| 130 | P | 85.8 | Confident | 85.4 | Confident | 118 Ų | 118 | 127.6 Ų | 127.6 | 77% | 0.766 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 138.5 | 177.2 | -26.7 | 35.1 | 0 | 0 | 0 | 110.9 | R132 | P130-R132 PolarHBondContact O-N 2.74Å; P130-R132 VanDerWaalsContact O-N 3.16Å |
| 131 | P | 84.9 | Confident | 86.4 | Confident | 128 Ų | 128 | 128.1 Ų | 128.1 | 83% | 0.831 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 123.2 | -177 | 24.1 | -33.6 | 0 | 0 | 0 | 110.2 | ||
| 132 | R | 89 | Confident | 87.7 | Confident | 162 Ų | 162 | 125 Ų | 125 | 61% | 0.611 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 133.5 | 179.2 | -168.6 | 177.9 | 70.7 | 78.9 | -19.6 | 109.2 | P130 D138 | P130-R132 PolarHBondContact O-N 2.74Å; P130-R132 VanDerWaalsContact O-N 3.16Å; R132-D138 IonicContact CZ-OD1 3.98Å; R132-D138 IonicContact CZ-OD2 3.12Å; R132-D138 IonicContact NH1-OD2 3.15Å; R132-D138 PolarHBondContact NH1-OD2 3.16Å; R132-D138 VanDerWaalsContact NH1-OD2 3.15Å; R132-D138 IonicContact NH2-OD1 2.68Å; R132-D138 PolarHBondContact NH2-OD1 3.49Å; R132-D138 IonicContact NH2-OD2 2.69Å; R132-D138 PolarHBondContact NH2-OD2 2.94Å |
| 133 | P | 91.1 | Very high | 88.6 | Confident | 107 Ų | 107 | 121.8 Ų | 121.8 | 70% | 0.695 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 140.6 | 169.7 | 26.4 | -34.6 | 0 | 0 | 0 | 109.9 | G135 | P133-G135 PolarHBondContact O-N 3.21Š|
| 134 | K | 92.4 | Very high | 89.8 | Confident | 105 Ų | 105 | 116.6 Ų | 116.6 | 46% | 0.457 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -60 | 126.2 | 177.6 | -68.9 | -172.9 | 179 | -170.8 | 0 | 110 | D138 Y139 E142 | K134-D138 WeakPolarHBondContact CA-OD2 3.45Å; K134-D138 HydrophobicContact CB-CB 4.35Å; K134-D138 HydrophobicContact CG-CB 4.46Å; K134-Y139 HydrophobicContact CB-CD2 4.18Å; K134-Y139 HydrophobicContact CB-CE1 4.49Å; K134-Y139 HydrophobicContact CB-CE2 3.47Å; K134-Y139 VanDerWaalsContact CB-CE2 3.47Å; K134-Y139 HydrophobicContact CD-CD1 4.32Å; K134-Y139 HydrophobicContact CD-CE1 3.73Å; K134-Y139 HydrophobicContact CD-CE2 4.23Å; K134-E142 WeakPolarHBondContact CE-OE1 3.37Å; K134-E142 IonicContact NZ-OE1 3.45Å; K134-E142 PolarHBondContact NZ-OE1 3.25Å; K134-E142 IonicContact NZ-OE2 3.22Å; K134-E142 PolarHBondContact NZ-OE2 3.29Å |
| 135 | G | 94.8 | Very high | 90.8 | Very high | 27 Ų | 27 | 117.1 Ų | 117.1 | 28% | 0.278 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -94.4 | 166.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | P133 W137 D138 Y139 | P133-G135 PolarHBondContact O-N 3.21Å; G135-W137 PolarHBondContact O-N 3.46Å; G135-W137 VanDerWaalsContact O-N 3.1Å; G135-D138 PolarHBondContact N-OD2 3.4Å; G135-D138 WeakPolarHBondContact O-CB 3.36Å; G135-D138 PolarHBondContact O-N 2.91Å; G135-Y139 WeakPolarHBondContact O-CD2 3.38Å; G135-Y139 PolarHBondContact O-N 3.45Å |
| 136 | H | 96.1 | Very high | 91.9 | Very high | 158 Ų | 158 | 119.5 Ų | 119.5 | 73% | 0.731 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -53.5 | -34.5 | -178.8 | -174.7 | 64.7 | 0 | 0 | 0 | 113.9 | D138 Y139 L140 | H136-D138 VanDerWaalsContact C-N 3.35Å; H136-D138 PolarHBondContact O-N 2.98Å; H136-Y139 PolarHBondContact O-N 3.46Å; H136-L140 PolarHBondContact O-N 2.79Å |
| 137 | W | 96.4 | Very high | 92.8 | Very high | 191 Ų | 191 | 114 Ų | 114 | 72% | 0.723 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.7 | -29.8 | 174 | -85.6 | 98.5 | 0 | 0 | 0 | 114.6 | G135 L140 C141 | G135-W137 PolarHBondContact O-N 3.46Å; G135-W137 VanDerWaalsContact O-N 3.1Å; W137-L140 HydrophobicContact CE3-CD2 3.98Å; W137-L140 HydrophobicContact CZ3-CD2 3.92Å; W137-C141 WeakPolarHBondContact O-CB 3.46Å; W137-C141 PolarHBondContact O-N 2.81Å; W137-C141 PolarHBondContact O-SG 3.35Å |
| 138 | D | 95.9 | Very high | 93.5 | Very high | 46 Ų | 46 | 112 Ų | 112 | 25% | 0.246 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -71.4 | -44 | 177.5 | -52.7 | -51.2 | 0 | 0 | 0 | 109.7 | R132 K134 G135 H136 L140 C141 E142 | R132-D138 IonicContact CZ-OD1 3.98Å; R132-D138 IonicContact CZ-OD2 3.12Å; R132-D138 IonicContact NH1-OD2 3.15Å; R132-D138 PolarHBondContact NH1-OD2 3.16Å; R132-D138 VanDerWaalsContact NH1-OD2 3.15Å; R132-D138 IonicContact NH2-OD1 2.68Å; R132-D138 PolarHBondContact NH2-OD1 3.49Å; R132-D138 IonicContact NH2-OD2 2.69Å; R132-D138 PolarHBondContact NH2-OD2 2.94Å; K134-D138 WeakPolarHBondContact CA-OD2 3.45Å; K134-D138 HydrophobicContact CB-CB 4.35Å; K134-D138 HydrophobicContact CG-CB 4.46Å; G135-D138 PolarHBondContact N-OD2 3.4Å; G135-D138 WeakPolarHBondContact O-CB 3.36Å; G135-D138 PolarHBondContact O-N 2.91Å; H136-D138 VanDerWaalsContact C-N 3.35Å; H136-D138 PolarHBondContact O-N 2.98Å; D138-L140 PolarHBondContact O-N 3.29Å; D138-C141 PolarHBondContact O-N 2.75Å; D138-E142 WeakPolarHBondContact O-CG 3.4Å; D138-E142 PolarHBondContact O-N 3.47Å |
| 139 | Y | 95.8 | Very high | 94.3 | Very high | 118 Ų | 118 | 109.1 Ų | 109.1 | 46% | 0.463 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.6 | -44.1 | 172.9 | -65.9 | -76.3 | 0 | 0 | 0 | 112 | K134 G135 H136 C141 E142 E143 | K134-Y139 HydrophobicContact CB-CD2 4.18Å; K134-Y139 HydrophobicContact CB-CE1 4.49Å; K134-Y139 HydrophobicContact CB-CE2 3.47Å; K134-Y139 VanDerWaalsContact CB-CE2 3.47Å; K134-Y139 HydrophobicContact CD-CD1 4.32Å; K134-Y139 HydrophobicContact CD-CE1 3.73Å; K134-Y139 HydrophobicContact CD-CE2 4.23Å; G135-Y139 WeakPolarHBondContact O-CD2 3.38Å; G135-Y139 PolarHBondContact O-N 3.45Å; H136-Y139 PolarHBondContact O-N 3.46Å; Y139-C141 VanDerWaalsContact C-N 3.3Å; Y139-C141 PolarHBondContact O-N 2.88Å; Y139-E142 PolarHBondContact O-N 2.91Å; Y139-E142 VanDerWaalsContact O-N 3.16Å; Y139-E143 WeakPolarHBondContact O-CG 3.48Å; Y139-E143 PolarHBondContact O-N 3.05Å |
| 140 | L | 97.4 | Very high | 95.1 | Very high | 72 Ų | 72 | 104.1 Ų | 104.1 | 38% | 0.377 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.4 | -42.3 | 174.6 | 178.7 | 61.1 | 0 | 0 | 0 | 112 | H136 W137 D138 M144 | H136-L140 PolarHBondContact O-N 2.79Å; W137-L140 HydrophobicContact CE3-CD2 3.98Å; W137-L140 HydrophobicContact CZ3-CD2 3.92Å; D138-L140 PolarHBondContact O-N 3.29Å; L140-M144 HydrophobicContact CD1-CG 4.22Å; L140-M144 HydrophobicContact CD1-SD 4.09Å; L140-M144 HydrophobicContact CG-SD 4.02Å; L140-M144 VanDerWaalsContact O-CB 3.3Å; L140-M144 WeakPolarHBondContact O-CB 3.32Å; L140-M144 WeakPolarHBondContact O-CG 3.42Å; L140-M144 PolarHBondContact O-N 3.36Å |
| 141 | C | 96.7 | Very high | 95.7 | Very high | 74 Ų | 74 | 103.9 Ų | 103.9 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.4 | -34.4 | 176.1 | -73.7 | 0 | 0 | 0 | 0 | 113.2 | W137 D138 Y139 Q145 | W137-C141 WeakPolarHBondContact O-CB 3.46Å; W137-C141 PolarHBondContact O-N 2.81Å; W137-C141 PolarHBondContact O-SG 3.35Å; D138-C141 PolarHBondContact O-N 2.75Å; Y139-C141 VanDerWaalsContact C-N 3.3Å; Y139-C141 PolarHBondContact O-N 2.88Å; C141-Q145 VanDerWaalsContact O-CB 3.26Å; C141-Q145 WeakPolarHBondContact O-CB 3.33Å; C141-Q145 PolarHBondContact O-N 3.2Å |
| 142 | E | 96 | Very high | 96.3 | Very high | 78 Ų | 78 | 99.9 Ų | 99.9 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.9 | -47.2 | 174.9 | -74.1 | 171.1 | -174.1 | 0 | 0 | 111.3 | K134 D138 Y139 Q145 W146 | K134-E142 WeakPolarHBondContact CE-OE1 3.37Å; K134-E142 IonicContact NZ-OE1 3.45Å; K134-E142 PolarHBondContact NZ-OE1 3.25Å; K134-E142 IonicContact NZ-OE2 3.22Å; K134-E142 PolarHBondContact NZ-OE2 3.29Å; D138-E142 WeakPolarHBondContact O-CG 3.4Å; D138-E142 PolarHBondContact O-N 3.47Å; Y139-E142 PolarHBondContact O-N 2.91Å; Y139-E142 VanDerWaalsContact O-N 3.16Å; E142-Q145 PolarHBondContact O-N 3.42Å; E142-W146 PolarHBondContact O-N 2.88Å |
| 143 | E | 97.3 | Very high | 96.8 | Very high | 107 Ų | 107 | 97.9 Ų | 97.9 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 174.5 | -66.5 | -55.7 | 147.4 | 0 | 0 | 111.6 | Y139 Q145 W146 L147 | Y139-E143 WeakPolarHBondContact O-CG 3.48Å; Y139-E143 PolarHBondContact O-N 3.05Å; E143-Q145 VanDerWaalsContact C-N 3.29Å; E143-Q145 PolarHBondContact O-N 2.99Å; E143-W146 PolarHBondContact O-N 3.03Å; E143-L147 WeakPolarHBondContact O-CB 3.41Å; E143-L147 PolarHBondContact O-N 2.85Å |
| 144 | M | 98.2 | Very high | 97.1 | Very high | 117 Ų | 117 | 95.6 Ų | 95.6 | 58% | 0.576 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.7 | -36.3 | 175.4 | -74.9 | 178.7 | 68.6 | 0 | 0 | 112.3 | L140 S148 | L140-M144 HydrophobicContact CD1-CG 4.22Å; L140-M144 HydrophobicContact CD1-SD 4.09Å; L140-M144 HydrophobicContact CG-SD 4.02Å; L140-M144 VanDerWaalsContact O-CB 3.3Å; L140-M144 WeakPolarHBondContact O-CB 3.32Å; L140-M144 WeakPolarHBondContact O-CG 3.42Å; L140-M144 PolarHBondContact O-N 3.36Å; M144-S148 VanDerWaalsContact O-CB 3.25Å; M144-S148 WeakPolarHBondContact O-CB 3.42Å; M144-S148 PolarHBondContact O-N 3Å; M144-S148 PolarHBondContact O-OG 3.27Å |
| 145 | Q | 98.1 | Very high | 97.4 | Very high | 142 Ų | 142 | 97.3 Ų | 97.3 | 66% | 0.664 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.8 | -46.7 | 173.7 | 178.8 | 168.6 | 71.4 | 0 | 0 | 111 | C141 E142 E143 S148 A149 | C141-Q145 VanDerWaalsContact O-CB 3.26Å; C141-Q145 WeakPolarHBondContact O-CB 3.33Å; C141-Q145 PolarHBondContact O-N 3.2Å; E142-Q145 PolarHBondContact O-N 3.42Å; E143-Q145 VanDerWaalsContact C-N 3.29Å; E143-Q145 PolarHBondContact O-N 2.99Å; Q145-S148 PolarHBondContact O-N 3.12Å; Q145-S148 PolarHBondContact O-OG 3.13Å; Q145-A149 PolarHBondContact O-N 3.36Å |
| 146 | W | 97.9 | Very high | 97.6 | Very high | 164 Ų | 164 | 104.3 Ų | 104.3 | 62% | 0.621 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.9 | -52.1 | 177.9 | -179.3 | 83 | 0 | 0 | 0 | 111.9 | E142 E143 S148 A149 D150 | E142-W146 PolarHBondContact O-N 2.88Å; E143-W146 PolarHBondContact O-N 3.03Å; W146-S148 VanDerWaalsContact C-N 3.3Å; W146-S148 PolarHBondContact O-N 3.37Å; W146-A149 WeakPolarHBondContact O-CB 3.34Å; W146-A149 PolarHBondContact O-N 2.94Å; W146-A149 VanDerWaalsContact O-N 3.1Å; W146-D150 PolarHBondContact O-N 3.21Å |
| 147 | L | 98.3 | Very high | 97.7 | Very high | 73 Ų | 73 | 103.4 Ų | 103.4 | 38% | 0.382 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.1 | -41.1 | 173.8 | -86 | 147.7 | 0 | 0 | 0 | 112.3 | E143 A149 D150 F151 | E143-L147 WeakPolarHBondContact O-CB 3.41Å; E143-L147 PolarHBondContact O-N 2.85Å; L147-A149 VanDerWaalsContact C-N 3.32Å; L147-A149 PolarHBondContact O-N 2.85Å; L147-D150 PolarHBondContact O-N 3.03Å; L147-F151 HydrophobicContact CB-CE2 4.47Å; L147-F151 HydrophobicContact CD2-CE2 3.85Å; L147-F151 HydrophobicContact CD2-CZ 4.35Å; L147-F151 WeakPolarHBondContact O-CD2 3.35Å; L147-F151 PolarHBondContact O-N 3.02Å |
| 148 | S | 98.4 | Very high | 97.8 | Very high | 72 Ų | 72 | 98.9 Ų | 98.9 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.2 | -35.7 | 178.3 | 79.3 | 0 | 0 | 0 | 0 | 112.7 | M144 Q145 W146 A152 | M144-S148 VanDerWaalsContact O-CB 3.25Å; M144-S148 WeakPolarHBondContact O-CB 3.42Å; M144-S148 PolarHBondContact O-N 3Å; M144-S148 PolarHBondContact O-OG 3.27Å; Q145-S148 PolarHBondContact O-N 3.12Å; Q145-S148 PolarHBondContact O-OG 3.13Å; W146-S148 VanDerWaalsContact C-N 3.3Å; W146-S148 PolarHBondContact O-N 3.37Å; S148-A152 VanDerWaalsContact O-CB 3.29Å; S148-A152 WeakPolarHBondContact O-CB 3.37Å; S148-A152 PolarHBondContact O-N 2.87Å; S148-A152 VanDerWaalsContact O-N 3.16Å |
| 149 | A | 97.9 | Very high | 97.9 | Very high | 59 Ų | 59 | 103.5 Ų | 103.5 | 49% | 0.488 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.7 | -42.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q145 W146 L147 A152 Q153 | Q145-A149 PolarHBondContact O-N 3.36Å; W146-A149 WeakPolarHBondContact O-CB 3.34Å; W146-A149 PolarHBondContact O-N 2.94Å; W146-A149 VanDerWaalsContact O-N 3.1Å; L147-A149 VanDerWaalsContact C-N 3.32Å; L147-A149 PolarHBondContact O-N 2.85Å; A149-A152 PolarHBondContact O-N 3.09Å; A149-Q153 WeakPolarHBondContact O-CB 3.19Å; A149-Q153 PolarHBondContact O-N 2.81Å |
| 150 | D | 98.3 | Very high | 98 | Very high | 68 Ų | 68 | 99.2 Ų | 99.2 | 36% | 0.364 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.1 | -52.2 | 176.9 | -171.9 | 67.6 | 0 | 0 | 0 | 111.5 | W146 L147 A152 Q153 E154 | W146-D150 PolarHBondContact O-N 3.21Å; L147-D150 PolarHBondContact O-N 3.03Å; D150-A152 PolarHBondContact O-N 3.37Å; D150-A152 VanDerWaalsContact O-N 3.12Å; D150-Q153 CarbonylContact O-C 3.55Å; D150-Q153 WeakPolarHBondContact O-CA 3.39Å; D150-Q153 WeakPolarHBondContact O-CB 3.38Å; D150-Q153 PolarHBondContact O-N 3.5Å; D150-E154 WeakPolarHBondContact O-CB 3.49Å; D150-E154 PolarHBondContact O-N 2.79Å |
| 151 | F | 98.5 | Very high | 98.1 | Very high | 113 Ų | 113 | 99.6 Ų | 99.6 | 50% | 0.496 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.5 | -30.1 | 174.8 | -73.7 | -55.6 | 0 | 0 | 0 | 113.4 | L147 R155 | L147-F151 HydrophobicContact CB-CE2 4.47Å; L147-F151 HydrophobicContact CD2-CE2 3.85Å; L147-F151 HydrophobicContact CD2-CZ 4.35Å; L147-F151 WeakPolarHBondContact O-CD2 3.35Å; L147-F151 PolarHBondContact O-N 3.02Å; F151-R155 VanDerWaalsContact O-CB 3.27Å; F151-R155 WeakPolarHBondContact O-CB 3.43Å; F151-R155 PolarHBondContact O-N 3.37Å; F151-R155 VanDerWaalsContact O-N 3.1Å; F151-R155 PolarHBondContact O-NH1 3.34Å |
| 152 | A | 98.4 | Very high | 98.2 | Very high | 44 Ų | 44 | 98.5 Ų | 98.5 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -72.3 | -40 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S148 A149 D150 R156 | S148-A152 VanDerWaalsContact O-CB 3.29Å; S148-A152 WeakPolarHBondContact O-CB 3.37Å; S148-A152 PolarHBondContact O-N 2.87Å; S148-A152 VanDerWaalsContact O-N 3.16Å; A149-A152 PolarHBondContact O-N 3.09Å; D150-A152 PolarHBondContact O-N 3.37Å; D150-A152 VanDerWaalsContact O-N 3.12Å; A152-R156 WeakPolarHBondContact O-CB 3.49Å; A152-R156 PolarHBondContact O-N 3.24Å; A152-R156 VanDerWaalsContact O-N 3.14Å |
| 153 | Q | 98.1 | Very high | 98.3 | Very high | 121 Ų | 121 | 101.7 Ų | 101.7 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68 | -40.5 | 173.1 | 178.1 | 157.8 | -49.3 | 0 | 0 | 111.6 | A149 D150 R156 W157 | A149-Q153 WeakPolarHBondContact O-CB 3.19Å; A149-Q153 PolarHBondContact O-N 2.81Å; D150-Q153 CarbonylContact O-C 3.55Å; D150-Q153 WeakPolarHBondContact O-CA 3.39Å; D150-Q153 WeakPolarHBondContact O-CB 3.38Å; D150-Q153 PolarHBondContact O-N 3.5Å; Q153-R156 CarbonylContact O-C 3.57Å; Q153-R156 WeakPolarHBondContact O-CA 3.37Å; Q153-R156 WeakPolarHBondContact O-CB 3.33Å; Q153-R156 PolarHBondContact O-N 2.99Å; Q153-W157 VanDerWaalsContact O-CD1 3.3Å; Q153-W157 PolarHBondContact O-N 2.92Å |
| 154 | E | 98.4 | Very high | 98.4 | Very high | 59 Ų | 59 | 103.9 Ų | 103.9 | 28% | 0.276 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63 | -50.3 | 178.8 | -152 | -148.3 | -147.6 | 0 | 0 | 111.4 | D150 R156 W157 K158 | D150-E154 WeakPolarHBondContact O-CB 3.49Å; D150-E154 PolarHBondContact O-N 2.79Å; E154-R156 PolarHBondContact O-N 2.82Å; E154-R156 VanDerWaalsContact O-N 3.17Å; E154-W157 HydrophobicContact CG-CZ2 3.98Å; E154-W157 PolarHBondContact O-N 3.37Å; E154-K158 HydrophobicContact CG-CD 4.11Å; E154-K158 HydrophobicContact CG-CG 4.5Å; E154-K158 WeakPolarHBondContact O-CB 3.32Å; E154-K158 WeakPolarHBondContact O-CG 3.33Å; E154-K158 PolarHBondContact O-N 3.04Å; E154-K158 VanDerWaalsContact OE1-CE 3.23Å; E154-K158 WeakPolarHBondContact OE1-CE 3.47Å; E154-K158 IonicContact OE1-NZ 2.66Å; E154-K158 PolarHBondContact OE1-NZ 2.97Å; E154-K158 WeakPolarHBondContact OE2-CE 3.44Å; E154-K158 IonicContact OE2-NZ 3.29Å; E154-K158 PolarHBondContact OE2-NZ 3.38Å |
| 155 | R | 98.6 | Very high | 98.4 | Very high | 140 Ų | 140 | 102.4 Ų | 102.4 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -20.9 | 172.6 | -164.2 | -173.1 | -61.7 | 97.4 | -0.1 | 112.7 | F151 R159 | F151-R155 VanDerWaalsContact O-CB 3.27Å; F151-R155 WeakPolarHBondContact O-CB 3.43Å; F151-R155 PolarHBondContact O-N 3.37Å; F151-R155 VanDerWaalsContact O-N 3.1Å; F151-R155 PolarHBondContact O-NH1 3.34Å; R155-R159 WeakPolarHBondContact O-CB 3.43Å; R155-R159 WeakPolarHBondContact O-CG 3.47Å; R155-R159 PolarHBondContact O-NE 2.91Å |
| 156 | R | 98.5 | Very high | 98.4 | Very high | 175 Ų | 175 | 99.7 Ų | 99.7 | 66% | 0.66 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -80.8 | -50.1 | 173.5 | -174.4 | -176.9 | -71.6 | 153.4 | -2 | 111.1 | A152 Q153 E154 G160 | A152-R156 WeakPolarHBondContact O-CB 3.49Å; A152-R156 PolarHBondContact O-N 3.24Å; A152-R156 VanDerWaalsContact O-N 3.14Å; Q153-R156 CarbonylContact O-C 3.57Å; Q153-R156 WeakPolarHBondContact O-CA 3.37Å; Q153-R156 WeakPolarHBondContact O-CB 3.33Å; Q153-R156 PolarHBondContact O-N 2.99Å; E154-R156 PolarHBondContact O-N 2.82Å; E154-R156 VanDerWaalsContact O-N 3.17Å; R156-G160 PolarHBondContact O-N 3.19Å |
| 157 | W | 98.3 | Very high | 98.5 | Very high | 139 Ų | 139 | 100 Ų | 100 | 53% | 0.527 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.7 | -40.8 | -177.1 | 76.4 | -113.3 | 0 | 0 | 0 | 112.2 | Q153 E154 R159 G160 V161 | Q153-W157 VanDerWaalsContact O-CD1 3.3Å; Q153-W157 PolarHBondContact O-N 2.92Å; E154-W157 HydrophobicContact CG-CZ2 3.98Å; E154-W157 PolarHBondContact O-N 3.37Å; W157-R159 PolarHBondContact O-N 3.45Å; W157-G160 CarbonylContact O-C 3.57Å; W157-G160 WeakPolarHBondContact O-CA 3.33Å; W157-G160 PolarHBondContact O-N 3.44Å; W157-V161 HydrophobicContact CE3-CG2 4.02Å; W157-V161 HydrophobicContact CZ3-CG2 4.38Å; W157-V161 PolarHBondContact O-N 3.2Å |
| 158 | K | 98.7 | Very high | 98.5 | Very high | 95 Ų | 95 | 101.7 Ų | 101.7 | 41% | 0.413 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.8 | -44.5 | 175.6 | -72.5 | -180 | 176.6 | 171 | 0 | 112.1 | E154 G160 V161 A162 | E154-K158 HydrophobicContact CG-CD 4.11Å; E154-K158 HydrophobicContact CG-CG 4.5Å; E154-K158 WeakPolarHBondContact O-CB 3.32Å; E154-K158 WeakPolarHBondContact O-CG 3.33Å; E154-K158 PolarHBondContact O-N 3.04Å; E154-K158 VanDerWaalsContact OE1-CE 3.23Å; E154-K158 WeakPolarHBondContact OE1-CE 3.47Å; E154-K158 IonicContact OE1-NZ 2.66Å; E154-K158 PolarHBondContact OE1-NZ 2.97Å; E154-K158 WeakPolarHBondContact OE2-CE 3.44Å; E154-K158 IonicContact OE2-NZ 3.29Å; E154-K158 PolarHBondContact OE2-NZ 3.38Å; K158-G160 VanDerWaalsContact C-N 3.31Å; K158-G160 PolarHBondContact O-N 3.07Å; K158-V161 PolarHBondContact O-N 3.09Å; K158-A162 PolarHBondContact O-N 3.34Å |
| 159 | R | 98.6 | Very high | 98.5 | Very high | 143 Ų | 143 | 101.7 Ų | 101.7 | 54% | 0.54 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.1 | -30.4 | 172.8 | -72.9 | -172.2 | -65 | 168 | -1.4 | 113.1 | R155 W157 R163 | R155-R159 WeakPolarHBondContact O-CB 3.43Å; R155-R159 WeakPolarHBondContact O-CG 3.47Å; R155-R159 PolarHBondContact O-NE 2.91Å; W157-R159 PolarHBondContact O-N 3.45Å; R159-R163 PolarHBondContact O-N 3.27Å; R159-R163 VanDerWaalsContact O-N 3.16Å |
| 160 | G | 98.5 | Very high | 98.5 | Very high | 28 Ų | 28 | 104.1 Ų | 104.1 | 29% | 0.289 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.7 | -44.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R156 W157 K158 R163 K164 | R156-G160 PolarHBondContact O-N 3.19Å; W157-G160 CarbonylContact O-C 3.57Å; W157-G160 WeakPolarHBondContact O-CA 3.33Å; W157-G160 PolarHBondContact O-N 3.44Å; K158-G160 VanDerWaalsContact C-N 3.31Å; K158-G160 PolarHBondContact O-N 3.07Å; G160-R163 PolarHBondContact O-N 3.35Å; G160-K164 PolarHBondContact O-N 2.93Å; G160-K164 VanDerWaalsContact O-N 3.13Å |
| 161 | V | 98.7 | Very high | 98.5 | Very high | 80 Ų | 80 | 105.7 Ų | 105.7 | 49% | 0.485 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 175 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | W157 K158 R163 K164 V165 | W157-V161 HydrophobicContact CE3-CG2 4.02Å; W157-V161 HydrophobicContact CZ3-CG2 4.38Å; W157-V161 PolarHBondContact O-N 3.2Å; K158-V161 PolarHBondContact O-N 3.09Å; V161-R163 VanDerWaalsContact C-N 3.35Å; V161-R163 PolarHBondContact O-N 2.8Å; V161-K164 WeakPolarHBondContact O-CA 3.34Å; V161-K164 WeakPolarHBondContact O-CB 3.38Å; V161-K164 PolarHBondContact O-N 3.22Å; V161-V165 HydrophobicContact CG1-CG2 4.47Å; V161-V165 PolarHBondContact O-N 3.33Å |
| 162 | A | 98.8 | Very high | 98.5 | Very high | 52 Ų | 52 | 104.6 Ų | 104.6 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -55.2 | -46.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K158 K164 V165 V166 | K158-A162 PolarHBondContact O-N 3.34Å; A162-K164 PolarHBondContact O-N 2.93Å; A162-V165 PolarHBondContact O-N 2.94Å; A162-V165 VanDerWaalsContact O-N 3.16Å; A162-V166 WeakPolarHBondContact O-CG2 3.4Å; A162-V166 PolarHBondContact O-N 3.43Å |
| 163 | R | 98.5 | Very high | 98.5 | Very high | 144 Ų | 144 | 107.8 Ų | 107.8 | 54% | 0.543 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.5 | -15.7 | 173.9 | -72.4 | -169.6 | -59.7 | -91.6 | -2.2 | 114.7 | R159 G160 V161 R167 | R159-R163 PolarHBondContact O-N 3.27Å; R159-R163 VanDerWaalsContact O-N 3.16Å; G160-R163 PolarHBondContact O-N 3.35Å; V161-R163 VanDerWaalsContact C-N 3.35Å; V161-R163 PolarHBondContact O-N 2.8Å; R163-R167 WeakPolarHBondContact O-CG 3.42Å; R163-R167 PolarHBondContact O-NE 3.02Å |
| 164 | K | 98.6 | Very high | 98.5 | Very high | 153 Ų | 153 | 105.4 Ų | 105.4 | 67% | 0.665 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -81.4 | -41.9 | 169.4 | -166.5 | -179.2 | 179.2 | -174.1 | 0 | 110.6 | G160 V161 A162 R167 M168 | G160-K164 PolarHBondContact O-N 2.93Å; G160-K164 VanDerWaalsContact O-N 3.13Å; V161-K164 WeakPolarHBondContact O-CA 3.34Å; V161-K164 WeakPolarHBondContact O-CB 3.38Å; V161-K164 PolarHBondContact O-N 3.22Å; A162-K164 PolarHBondContact O-N 2.93Å; K164-R167 PolarHBondContact O-N 2.99Å; K164-M168 WeakPolarHBondContact O-CB 3.4Å; K164-M168 PolarHBondContact O-N 2.99Å |
| 165 | V | 98.7 | Very high | 98.4 | Very high | 86 Ų | 86 | 106.7 Ų | 106.7 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -48.3 | 175.5 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | V161 A162 R167 M168 V169 | V161-V165 HydrophobicContact CG1-CG2 4.47Å; V161-V165 PolarHBondContact O-N 3.33Å; A162-V165 PolarHBondContact O-N 2.94Å; A162-V165 VanDerWaalsContact O-N 3.16Å; V165-R167 VanDerWaalsContact C-N 3.34Å; V165-R167 PolarHBondContact O-N 3.3Å; V165-M168 WeakPolarHBondContact O-CA 3.35Å; V165-M168 WeakPolarHBondContact O-CB 3.43Å; V165-M168 PolarHBondContact O-N 3.36Å; V165-V169 WeakPolarHBondContact O-CG2 3.27Å; V165-V169 PolarHBondContact O-N 2.92Å |
| 166 | V | 98.8 | Very high | 98.4 | Very high | 85 Ų | 85 | 103 Ų | 103 | 52% | 0.515 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -55.6 | -47.3 | 177.3 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | A162 M168 V169 I170 | A162-V166 WeakPolarHBondContact O-CG2 3.4Å; A162-V166 PolarHBondContact O-N 3.43Å; V166-M168 VanDerWaalsContact C-N 3.32Å; V166-M168 PolarHBondContact O-N 3.43Å; V166-V169 PolarHBondContact O-N 3.05Å; V166-I170 HydrophobicContact CG1-CD1 3.82Å; V166-I170 WeakPolarHBondContact O-CG1 3.42Å; V166-I170 PolarHBondContact O-N 3.05Å |
| 167 | R | 98.5 | Very high | 98.3 | Very high | 171 Ų | 171 | 102.6 Ų | 102.6 | 65% | 0.645 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.7 | -29.4 | 176.7 | -72.2 | -176.1 | -66.7 | 168.1 | 2.7 | 113.4 | R163 K164 V165 R171 | R163-R167 WeakPolarHBondContact O-CG 3.42Å; R163-R167 PolarHBondContact O-NE 3.02Å; K164-R167 PolarHBondContact O-N 2.99Å; V165-R167 VanDerWaalsContact C-N 3.34Å; V165-R167 PolarHBondContact O-N 3.3Å; R167-R171 WeakPolarHBondContact O-CB 3.4Å; R167-R171 PolarHBondContact O-N 3Å |
| 168 | M | 98.5 | Very high | 98.2 | Very high | 108 Ų | 108 | 99.9 Ų | 99.9 | 53% | 0.532 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67 | -40.4 | 173.4 | -173.6 | 65.3 | 177 | 0 | 0 | 111.6 | K164 V165 V166 R171 H172 | K164-M168 WeakPolarHBondContact O-CB 3.4Å; K164-M168 PolarHBondContact O-N 2.99Å; V165-M168 WeakPolarHBondContact O-CA 3.35Å; V165-M168 WeakPolarHBondContact O-CB 3.43Å; V165-M168 PolarHBondContact O-N 3.36Å; V166-M168 VanDerWaalsContact C-N 3.32Å; V166-M168 PolarHBondContact O-N 3.43Å; M168-R171 VanDerWaalsContact CE-NH2 3.32Å; M168-H172 WeakPolarHBondContact O-CB 3.49Å; M168-H172 PolarHBondContact O-N 3.31Å |
| 169 | V | 98.6 | Very high | 98.1 | Very high | 72 Ų | 72 | 101.2 Ų | 101.2 | 44% | 0.436 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.3 | -49.3 | 175.8 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | V165 V166 R171 H172 H173 | V165-V169 WeakPolarHBondContact O-CG2 3.27Å; V165-V169 PolarHBondContact O-N 2.92Å; V166-V169 PolarHBondContact O-N 3.05Å; V169-R171 VanDerWaalsContact C-N 3.33Å; V169-R171 PolarHBondContact O-N 3.32Å; V169-H172 WeakPolarHBondContact O-CB 3.44Å; V169-H172 PolarHBondContact O-N 2.66Å; V169-H173 PolarHBondContact O-CD2 3.19Å; V169-H173 PolarHBondContact O-N 2.69Å |
| 170 | I | 98.3 | Very high | 98 | Very high | 110 Ų | 110 | 99.5 Ų | 99.5 | 56% | 0.564 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -55.3 | -49.1 | 176.2 | -66.8 | 165.3 | 0 | 0 | 0 | 110.6 | V166 H172 H173 E174 | V166-I170 HydrophobicContact CG1-CD1 3.82Å; V166-I170 WeakPolarHBondContact O-CG1 3.42Å; V166-I170 PolarHBondContact O-N 3.05Å; I170-H172 VanDerWaalsContact C-N 3.31Å; I170-H172 PolarHBondContact O-N 3.17Å; I170-H173 PolarHBondContact O-N 2.8Å; I170-E174 WeakPolarHBondContact O-CB 3.35Å; I170-E174 PolarHBondContact O-N 3.25Å |
| 171 | R | 98.3 | Very high | 97.9 | Very high | 101 Ų | 101 | 102.7 Ų | 102.7 | 38% | 0.381 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.1 | -37.8 | 176.1 | -175.3 | -157.9 | 64.9 | 89.9 | 26.2 | 112.4 | R167 M168 V169 E174 E175 | R167-R171 WeakPolarHBondContact O-CB 3.4Å; R167-R171 PolarHBondContact O-N 3Å; M168-R171 VanDerWaalsContact CE-NH2 3.32Å; V169-R171 VanDerWaalsContact C-N 3.33Å; V169-R171 PolarHBondContact O-N 3.32Å; R171-E174 PolarHBondContact O-N 3.1Å; R171-E175 WeakPolarHBondContact CD-OE1 3.44Å; R171-E175 HydrophobicContact CG-CG 4.41Å; R171-E175 VanDerWaalsContact CG-OE1 3.3Å; R171-E175 WeakPolarHBondContact CG-OE1 3.42Å; R171-E175 IonicContact CZ-OE1 2.71Å; R171-E175 IonicContact CZ-OE2 2.95Å; R171-E175 IonicContact NE-OE1 3.73Å; R171-E175 IonicContact NH1-OE1 3.68Å; R171-E175 PolarHBondContact NH1-OE1 2.91Å; R171-E175 IonicContact NH1-OE2 2.75Å; R171-E175 PolarHBondContact NH1-OE2 3.24Å; R171-E175 IonicContact NH2-OE2 3.61Å; R171-E175 PolarHBondContact NH2-OE2 3.2Å; R171-E175 WeakPolarHBondContact O-CB 3.46Å; R171-E175 VanDerWaalsContact O-CG 3.31Å; R171-E175 WeakPolarHBondContact O-CG 3.36Å; R171-E175 PolarHBondContact O-N 3.24Å |
| 172 | H | 98.1 | Very high | 97.8 | Very high | 91 Ų | 91 | 104.5 Ų | 104.5 | 42% | 0.421 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -46.8 | 177.9 | 172.8 | -95.4 | 0 | 0 | 0 | 112.4 | M168 V169 I170 E174 E175 Q176 | M168-H172 WeakPolarHBondContact O-CB 3.49Å; M168-H172 PolarHBondContact O-N 3.31Å; V169-H172 WeakPolarHBondContact O-CB 3.44Å; V169-H172 PolarHBondContact O-N 2.66Å; I170-H172 VanDerWaalsContact C-N 3.31Å; I170-H172 PolarHBondContact O-N 3.17Å; H172-E174 VanDerWaalsContact C-N 3.33Å; H172-E174 PolarHBondContact O-N 3.21Å; H172-E175 PolarHBondContact O-N 3.42Å; H172-Q176 WeakPolarHBondContact O-CB 3.46Å; H172-Q176 WeakPolarHBondContact O-CG 3.49Å; H172-Q176 PolarHBondContact O-N 2.99Å |
| 173 | H | 98.4 | Very high | 97.7 | Very high | 111 Ų | 111 | 104.5 Ų | 104.5 | 51% | 0.514 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.7 | -36 | 176.7 | -69.4 | -75.3 | 0 | 0 | 0 | 112 | V169 I170 Q176 R177 | V169-H173 PolarHBondContact O-CD2 3.19Å; V169-H173 PolarHBondContact O-N 2.69Å; I170-H173 PolarHBondContact O-N 2.8Å; H173-Q176 PolarHBondContact O-N 2.89Å; H173-R177 WeakPolarHBondContact O-CG 3.37Å; H173-R177 PolarHBondContact O-N 2.86Å |
| 174 | E | 97.7 | Very high | 97.6 | Very high | 70 Ų | 70 | 105.7 Ų | 105.7 | 33% | 0.327 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 173.2 | -176.9 | 54.3 | -152.5 | 0 | 0 | 112.4 | I170 R171 H172 Q176 R177 Q178 | I170-E174 WeakPolarHBondContact O-CB 3.35Å; I170-E174 PolarHBondContact O-N 3.25Å; R171-E174 PolarHBondContact O-N 3.1Å; H172-E174 VanDerWaalsContact C-N 3.33Å; H172-E174 PolarHBondContact O-N 3.21Å; E174-Q176 VanDerWaalsContact C-N 3.3Å; E174-Q176 PolarHBondContact O-N 3.01Å; E174-R177 PolarHBondContact O-N 3.34Å; E174-R177 IonicContact OE2-CZ 3.55Å; E174-R177 IonicContact OE2-NE 3.57Å; E174-R177 IonicContact OE2-NH2 2.7Å; E174-R177 PolarHBondContact OE2-NH2 3.16Å; E174-Q178 WeakPolarHBondContact O-CG 3.48Å; E174-Q178 PolarHBondContact O-N 2.87Å; E174-Q178 PolarHBondContact OE1-NE2 3.12Å |
| 175 | E | 97.5 | Very high | 97.5 | Very high | 86 Ų | 86 | 104.9 Ų | 104.9 | 40% | 0.402 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.8 | -34.1 | 176.6 | -76.8 | 170.8 | -173.3 | 0 | 0 | 112.6 | R171 H172 K179 | R171-E175 WeakPolarHBondContact CD-OE1 3.44Å; R171-E175 HydrophobicContact CG-CG 4.41Å; R171-E175 VanDerWaalsContact CG-OE1 3.3Å; R171-E175 WeakPolarHBondContact CG-OE1 3.42Å; R171-E175 IonicContact CZ-OE1 2.71Å; R171-E175 IonicContact CZ-OE2 2.95Å; R171-E175 IonicContact NE-OE1 3.73Å; R171-E175 IonicContact NH1-OE1 3.68Å; R171-E175 PolarHBondContact NH1-OE1 2.91Å; R171-E175 IonicContact NH1-OE2 2.75Å; R171-E175 PolarHBondContact NH1-OE2 3.24Å; R171-E175 IonicContact NH2-OE2 3.61Å; R171-E175 PolarHBondContact NH2-OE2 3.2Å; R171-E175 WeakPolarHBondContact O-CB 3.46Å; R171-E175 VanDerWaalsContact O-CG 3.31Å; R171-E175 WeakPolarHBondContact O-CG 3.36Å; R171-E175 PolarHBondContact O-N 3.24Å; H172-E175 PolarHBondContact O-N 3.42Å; E175-K179 WeakPolarHBondContact O-CB 3.34Å; E175-K179 PolarHBondContact O-N 3.12Å |
| 176 | Q | 97.4 | Very high | 97.5 | Very high | 63 Ų | 63 | 106 Ų | 106 | 29% | 0.294 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.8 | -51.3 | 173.4 | -83.6 | -64.7 | 124.1 | 0 | 0 | 112.1 | H172 H173 E174 Q178 K179 E180 | H172-Q176 WeakPolarHBondContact O-CB 3.46Å; H172-Q176 WeakPolarHBondContact O-CG 3.49Å; H172-Q176 PolarHBondContact O-N 2.99Å; H173-Q176 PolarHBondContact O-N 2.89Å; E174-Q176 VanDerWaalsContact C-N 3.3Å; E174-Q176 PolarHBondContact O-N 3.01Å; Q176-Q178 VanDerWaalsContact C-N 3.31Å; Q176-Q178 PolarHBondContact O-N 3.27Å; Q176-K179 WeakPolarHBondContact O-CA 3.43Å; Q176-K179 WeakPolarHBondContact O-CB 3.15Å; Q176-K179 PolarHBondContact O-N 2.91Å; Q176-E180 PolarHBondContact NE2-OE1 2.83Å; Q176-E180 VanDerWaalsContact O-CD 3.27Å; Q176-E180 WeakPolarHBondContact O-CG 3.45Å; Q176-E180 PolarHBondContact O-N 3.23Å |
| 177 | R | 96.4 | Very high | 97.4 | Very high | 166 Ų | 166 | 107.6 Ų | 107.6 | 63% | 0.626 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -55.3 | -46.2 | 175.1 | -68.6 | -167.4 | -58.3 | 178.9 | 2.3 | 111.7 | H173 E174 K179 E180 E181 | H173-R177 WeakPolarHBondContact O-CG 3.37Å; H173-R177 PolarHBondContact O-N 2.86Å; E174-R177 PolarHBondContact O-N 3.34Å; E174-R177 IonicContact OE2-CZ 3.55Å; E174-R177 IonicContact OE2-NE 3.57Å; E174-R177 IonicContact OE2-NH2 2.7Å; E174-R177 PolarHBondContact OE2-NH2 3.16Å; R177-K179 VanDerWaalsContact C-N 3.3Å; R177-K179 PolarHBondContact O-N 2.82Å; R177-E180 PolarHBondContact O-N 3.03Å; R177-E181 WeakPolarHBondContact O-CB 3.46Å; R177-E181 PolarHBondContact O-N 3.32Å |
| 178 | Q | 97.4 | Very high | 97.3 | Very high | 82 Ų | 82 | 103.4 Ų | 103.4 | 38% | 0.383 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.2 | -30.9 | 176.8 | -69.7 | -176.6 | 22.1 | 0 | 0 | 113.3 | E174 Q176 R182 | E174-Q178 WeakPolarHBondContact O-CG 3.48Å; E174-Q178 PolarHBondContact O-N 2.87Å; E174-Q178 PolarHBondContact OE1-NE2 3.12Å; Q176-Q178 VanDerWaalsContact C-N 3.31Å; Q176-Q178 PolarHBondContact O-N 3.27Å; Q178-R182 WeakPolarHBondContact O-CB 3.22Å; Q178-R182 PolarHBondContact O-N 2.76Å; Q178-R182 PolarHBondContact O-NH1 3.31Å |
| 179 | K | 97.1 | Very high | 97.3 | Very high | 124 Ų | 124 | 99.8 Ų | 99.8 | 54% | 0.539 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -72.3 | -41.5 | 176.2 | -179.4 | -176.8 | 174.4 | -171.5 | 0 | 111.6 | E175 Q176 R177 R182 A183 | E175-K179 WeakPolarHBondContact O-CB 3.34Å; E175-K179 PolarHBondContact O-N 3.12Å; Q176-K179 WeakPolarHBondContact O-CA 3.43Å; Q176-K179 WeakPolarHBondContact O-CB 3.15Å; Q176-K179 PolarHBondContact O-N 2.91Å; R177-K179 VanDerWaalsContact C-N 3.3Å; R177-K179 PolarHBondContact O-N 2.82Å; K179-R182 PolarHBondContact O-N 2.7Å; K179-A183 WeakPolarHBondContact O-CB 3.37Å; K179-A183 PolarHBondContact O-N 3.43Å |
| 180 | E | 96.3 | Very high | 97.2 | Very high | 107 Ų | 107 | 102.4 Ų | 102.4 | 50% | 0.5 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.5 | -44.8 | 175.4 | -70.7 | 144.9 | -150.7 | 0 | 0 | 111.3 | Q176 R177 R182 A183 R184 | Q176-E180 PolarHBondContact NE2-OE1 2.83Å; Q176-E180 VanDerWaalsContact O-CD 3.27Å; Q176-E180 WeakPolarHBondContact O-CG 3.45Å; Q176-E180 PolarHBondContact O-N 3.23Å; R177-E180 PolarHBondContact O-N 3.03Å; E180-R182 VanDerWaalsContact C-N 3.33Å; E180-R182 PolarHBondContact O-N 3Å; E180-A183 PolarHBondContact O-N 3.05Å; E180-R184 PolarHBondContact O-N 3.03Å |
| 181 | E | 95.7 | Very high | 97.2 | Very high | 94 Ų | 94 | 102.1 Ų | 102.1 | 44% | 0.439 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.4 | -35.3 | 176.5 | -159.2 | -121 | 128.5 | 0 | 0 | 112.3 | R177 R185 | R177-E181 WeakPolarHBondContact O-CB 3.46Å; R177-E181 PolarHBondContact O-N 3.32Å; E181-R185 WeakPolarHBondContact O-CB 3.17Å; E181-R185 PolarHBondContact O-N 2.83Å; E181-R185 PolarHBondContact O-NH1 2.9Å; E181-R185 IonicContact OE1-CZ 3.12Å; E181-R185 IonicContact OE1-NH1 2.69Å; E181-R185 PolarHBondContact OE1-NH1 3.39Å; E181-R185 IonicContact OE1-NH2 2.66Å; E181-R185 PolarHBondContact OE1-NH2 2.87Å |
| 182 | R | 96.7 | Very high | 97.2 | Very high | 118 Ų | 118 | 104.6 Ų | 104.6 | 45% | 0.445 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66 | -48 | 170.5 | -176 | -178.2 | -59.2 | 95.1 | 4.5 | 111.5 | Q178 K179 E180 R184 R185 E186 | Q178-R182 WeakPolarHBondContact O-CB 3.22Å; Q178-R182 PolarHBondContact O-N 2.76Å; Q178-R182 PolarHBondContact O-NH1 3.31Å; K179-R182 PolarHBondContact O-N 2.7Å; E180-R182 VanDerWaalsContact C-N 3.33Å; E180-R182 PolarHBondContact O-N 3Å; R182-R184 PolarHBondContact O-N 3.47Å; R182-R185 WeakPolarHBondContact O-CB 3.38Å; R182-R185 PolarHBondContact O-N 3.23Å; R182-R185 VanDerWaalsContact O-N 3.12Å; R182-E186 WeakPolarHBondContact CD-OE1 3.5Å; R182-E186 HydrophobicContact CG-CG 4.45Å; R182-E186 WeakPolarHBondContact CG-OE1 3.47Å; R182-E186 WeakPolarHBondContact O-CG 3.47Å; R182-E186 PolarHBondContact O-N 2.96Å |
| 183 | A | 97 | Very high | 97.3 | Very high | 53 Ų | 53 | 107.3 Ų | 107.3 | 44% | 0.438 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K179 E180 R185 E186 E187 | K179-A183 WeakPolarHBondContact O-CB 3.37Å; K179-A183 PolarHBondContact O-N 3.43Å; E180-A183 PolarHBondContact O-N 3.05Å; A183-R185 VanDerWaalsContact C-N 3.29Å; A183-R185 PolarHBondContact O-N 3.36Å; A183-E186 PolarHBondContact O-N 3.41Å; A183-E186 VanDerWaalsContact O-N 3.16Å; A183-E187 PolarHBondContact O-N 3.33Å |
| 184 | R | 96.4 | Very high | 97.2 | Very high | 169 Ų | 169 | 106 Ų | 106 | 64% | 0.638 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.1 | -39.2 | 175.2 | -166.5 | 174.6 | 80.7 | 155.4 | -0.7 | 112.2 | E180 R182 Q188 | E180-R184 PolarHBondContact O-N 3.03Å; R182-R184 PolarHBondContact O-N 3.47Å; R184-Q188 WeakPolarHBondContact O-CG 3.19Å; R184-Q188 PolarHBondContact O-N 2.92Å |
| 185 | R | 96.8 | Very high | 97.3 | Very high | 136 Ų | 136 | 105.4 Ų | 105.4 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.8 | -39.4 | 175.9 | 178.5 | -172.5 | -77.2 | 91.7 | -7.5 | 112.1 | E181 R182 A183 A189 | E181-R185 WeakPolarHBondContact O-CB 3.17Å; E181-R185 PolarHBondContact O-N 2.83Å; E181-R185 PolarHBondContact O-NH1 2.9Å; E181-R185 IonicContact OE1-CZ 3.12Å; E181-R185 IonicContact OE1-NH1 2.69Å; E181-R185 PolarHBondContact OE1-NH1 3.39Å; E181-R185 IonicContact OE1-NH2 2.66Å; E181-R185 PolarHBondContact OE1-NH2 2.87Å; R182-R185 WeakPolarHBondContact O-CB 3.38Å; R182-R185 PolarHBondContact O-N 3.23Å; R182-R185 VanDerWaalsContact O-N 3.12Å; A183-R185 VanDerWaalsContact C-N 3.29Å; A183-R185 PolarHBondContact O-N 3.36Å; R185-A189 WeakPolarHBondContact O-CB 3.24Å; R185-A189 PolarHBondContact O-N 2.96Å |
| 186 | E | 96.9 | Very high | 97.3 | Very high | 108 Ų | 108 | 104.3 Ų | 104.3 | 51% | 0.505 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.4 | -37.9 | 177.9 | -75.3 | 174.3 | -167.2 | 0 | 0 | 112.7 | R182 A183 A189 K190 | R182-E186 WeakPolarHBondContact CD-OE1 3.5Å; R182-E186 HydrophobicContact CG-CG 4.45Å; R182-E186 WeakPolarHBondContact CG-OE1 3.47Å; R182-E186 WeakPolarHBondContact O-CG 3.47Å; R182-E186 PolarHBondContact O-N 2.96Å; A183-E186 PolarHBondContact O-N 3.41Å; A183-E186 VanDerWaalsContact O-N 3.16Å; E186-A189 CarbonylContact O-C 3.54Å; E186-A189 WeakPolarHBondContact O-CB 3.37Å; E186-A189 PolarHBondContact O-N 2.9Å; E186-K190 PolarHBondContact O-N 3.15Å |
| 187 | E | 96.8 | Very high | 97.4 | Very high | 120 Ų | 120 | 104.6 Ų | 104.6 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.5 | -50.4 | 172.1 | -175.7 | -175.5 | -160.8 | 0 | 0 | 111.1 | A183 A189 K190 L191 | A183-E187 PolarHBondContact O-N 3.33Å; E187-A189 PolarHBondContact O-N 2.86Å; E187-K190 WeakPolarHBondContact O-CA 3.47Å; E187-K190 WeakPolarHBondContact O-CB 3.41Å; E187-K190 PolarHBondContact O-N 2.67Å; E187-L191 PolarHBondContact O-N 3.2Å |
| 188 | Q | 97 | Very high | 97.5 | Very high | 82 Ų | 82 | 102.4 Ų | 102.4 | 38% | 0.383 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.9 | -33.4 | 174.5 | -66.9 | -177.9 | 16.7 | 0 | 0 | 112.2 | R184 R192 | R184-Q188 WeakPolarHBondContact O-CG 3.19Å; R184-Q188 PolarHBondContact O-N 2.92Å; Q188-R192 WeakPolarHBondContact O-CB 3.32Å; Q188-R192 WeakPolarHBondContact O-CG 3.22Å; Q188-R192 PolarHBondContact O-N 2.93Å; Q188-R192 PolarHBondContact O-NE 3.45Å |
| 189 | A | 97.8 | Very high | 97.6 | Very high | 32 Ų | 32 | 100.2 Ų | 100.2 | 26% | 0.264 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.9 | -34.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R185 E186 E187 R193 | R185-A189 WeakPolarHBondContact O-CB 3.24Å; R185-A189 PolarHBondContact O-N 2.96Å; E186-A189 CarbonylContact O-C 3.54Å; E186-A189 WeakPolarHBondContact O-CB 3.37Å; E186-A189 PolarHBondContact O-N 2.9Å; E187-A189 PolarHBondContact O-N 2.86Å; A189-R193 WeakPolarHBondContact O-CB 3.31Å; A189-R193 WeakPolarHBondContact O-CG 3.39Å; A189-R193 PolarHBondContact O-N 3.49Å; A189-R193 PolarHBondContact O-NE 3.41Å |
| 190 | K | 98.1 | Very high | 97.6 | Very high | 128 Ų | 128 | 100.3 Ų | 100.3 | 56% | 0.557 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.1 | -46.2 | 171.6 | -179.7 | 179.5 | 177.7 | -178.7 | 0 | 110.9 | E186 E187 R193 I194 | E186-K190 PolarHBondContact O-N 3.15Å; E187-K190 WeakPolarHBondContact O-CA 3.47Å; E187-K190 WeakPolarHBondContact O-CB 3.41Å; E187-K190 PolarHBondContact O-N 2.67Å; K190-R193 WeakPolarHBondContact O-CB 3.36Å; K190-R193 PolarHBondContact O-N 3.38Å; K190-I194 HydrophobicContact CG-CD1 4.12Å; K190-I194 WeakPolarHBondContact O-CG1 3.3Å; K190-I194 PolarHBondContact O-N 2.88Å |
| 191 | L | 98.3 | Very high | 97.7 | Very high | 103 Ų | 103 | 99.4 Ų | 99.4 | 54% | 0.539 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 174.3 | -67.1 | 172.9 | 0 | 0 | 0 | 112 | E187 R193 I194 A195 | E187-L191 PolarHBondContact O-N 3.2Å; L191-R193 VanDerWaalsContact C-N 3.33Å; L191-R193 PolarHBondContact O-N 3.36Å; L191-I194 PolarHBondContact O-N 3.22Å; L191-A195 WeakPolarHBondContact O-CB 3.27Å; L191-A195 PolarHBondContact O-N 2.92Å |
| 192 | R | 98.3 | Very high | 97.9 | Very high | 153 Ų | 153 | 98.9 Ų | 98.9 | 58% | 0.577 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.2 | -36.5 | 174 | -77.2 | -175.5 | -86.3 | -98 | 6.1 | 112.6 | Q188 S196 | Q188-R192 WeakPolarHBondContact O-CB 3.32Å; Q188-R192 WeakPolarHBondContact O-CG 3.22Å; Q188-R192 PolarHBondContact O-N 2.93Å; Q188-R192 PolarHBondContact O-NE 3.45Å; R192-S196 WeakPolarHBondContact O-CB 3.35Å; R192-S196 PolarHBondContact O-N 3.02Å; R192-S196 VanDerWaalsContact O-N 3.07Å |
| 193 | R | 98.4 | Very high | 97.9 | Very high | 148 Ų | 148 | 100.6 Ų | 100.6 | 56% | 0.558 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.1 | -50.5 | 172.5 | -84.1 | 175.9 | -95.1 | 136.4 | -7 | 111.8 | A189 K190 L191 A195 S196 T197 | A189-R193 WeakPolarHBondContact O-CB 3.31Å; A189-R193 WeakPolarHBondContact O-CG 3.39Å; A189-R193 PolarHBondContact O-N 3.49Å; A189-R193 PolarHBondContact O-NE 3.41Å; K190-R193 WeakPolarHBondContact O-CB 3.36Å; K190-R193 PolarHBondContact O-N 3.38Å; L191-R193 VanDerWaalsContact C-N 3.33Å; L191-R193 PolarHBondContact O-N 3.36Å; R193-A195 PolarHBondContact O-N 3.4Å; R193-S196 WeakPolarHBondContact O-CB 3.45Å; R193-S196 PolarHBondContact O-N 2.92Å; R193-S196 VanDerWaalsContact O-N 3.09Å; R193-T197 PolarHBondContact O-N 3.02Å; R193-T197 PolarHBondContact O-OG1 2.95Å |
| 194 | I | 98.4 | Very high | 98 | Very high | 83 Ų | 83 | 102.7 Ų | 102.7 | 43% | 0.426 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56.9 | -49.1 | 178.5 | -67.1 | 162.5 | 0 | 0 | 0 | 110.9 | K190 L191 S196 T197 M198 | K190-I194 HydrophobicContact CG-CD1 4.12Å; K190-I194 WeakPolarHBondContact O-CG1 3.3Å; K190-I194 PolarHBondContact O-N 2.88Å; L191-I194 PolarHBondContact O-N 3.22Å; I194-S196 VanDerWaalsContact C-N 3.28Å; I194-S196 PolarHBondContact O-N 2.98Å; I194-T197 PolarHBondContact O-N 2.92Å; I194-M198 HydrophobicContact CG2-SD 4.1Å; I194-M198 WeakPolarHBondContact O-CG 3.44Å; I194-M198 PolarHBondContact O-N 3.39Å |
| 195 | A | 98.6 | Very high | 98.1 | Very high | 59 Ų | 59 | 100.4 Ų | 100.4 | 49% | 0.488 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.3 | -35.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L191 R193 A199 | L191-A195 WeakPolarHBondContact O-CB 3.27Å; L191-A195 PolarHBondContact O-N 2.92Å; R193-A195 PolarHBondContact O-N 3.4Å; A195-A199 VanDerWaalsContact O-CB 3.32Å; A195-A199 WeakPolarHBondContact O-CB 3.44Å; A195-A199 PolarHBondContact O-N 3.37Å |
| 196 | S | 98.6 | Very high | 98.2 | Very high | 62 Ų | 62 | 101.6 Ų | 101.6 | 43% | 0.434 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.2 | -40.7 | 175.2 | -170.3 | 0 | 0 | 0 | 0 | 112.4 | R192 R193 I194 A199 K200 | R192-S196 WeakPolarHBondContact O-CB 3.35Å; R192-S196 PolarHBondContact O-N 3.02Å; R192-S196 VanDerWaalsContact O-N 3.07Å; R193-S196 WeakPolarHBondContact O-CB 3.45Å; R193-S196 PolarHBondContact O-N 2.92Å; R193-S196 VanDerWaalsContact O-N 3.09Å; I194-S196 VanDerWaalsContact C-N 3.28Å; I194-S196 PolarHBondContact O-N 2.98Å; S196-A199 PolarHBondContact O-N 2.81Å; S196-K200 WeakPolarHBondContact O-CG 3.38Å; S196-K200 PolarHBondContact O-N 2.84Å |
| 197 | T | 98.6 | Very high | 98.3 | Very high | 70 Ų | 70 | 98.6 Ų | 98.6 | 43% | 0.429 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.2 | -54 | 173.5 | -58 | 0 | 0 | 0 | 0 | 110.7 | R193 I194 A199 K200 D201 | R193-T197 PolarHBondContact O-N 3.02Å; R193-T197 PolarHBondContact O-OG1 2.95Å; I194-T197 PolarHBondContact O-N 2.92Å; T197-A199 PolarHBondContact O-N 2.92Å; T197-A199 VanDerWaalsContact O-N 3.09Å; T197-K200 CarbonylContact O-C 3.59Å; T197-K200 WeakPolarHBondContact O-CA 3.49Å; T197-K200 VanDerWaalsContact O-CB 3.27Å; T197-K200 WeakPolarHBondContact O-CB 3.42Å; T197-K200 PolarHBondContact O-N 3.07Å; T197-D201 PolarHBondContact O-N 2.96Å |
| 198 | M | 98.5 | Very high | 98.3 | Very high | 119 Ų | 119 | 96.3 Ų | 96.3 | 59% | 0.586 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -54.4 | -36.6 | 176.2 | -66.1 | 177.2 | 74.3 | 0 | 0 | 112.6 | I194 D201 V202 | I194-M198 HydrophobicContact CG2-SD 4.1Å; I194-M198 WeakPolarHBondContact O-CG 3.44Å; I194-M198 PolarHBondContact O-N 3.39Å; M198-D201 WeakPolarHBondContact CA-OD2 3.36Å; M198-D201 PolarHBondContact O-N 2.64Å; M198-V202 WeakPolarHBondContact O-CG2 3.47Å; M198-V202 PolarHBondContact O-N 3.48Å |
| 199 | A | 98.7 | Very high | 98.4 | Very high | 37 Ų | 37 | 94.9 Ų | 94.9 | 31% | 0.306 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.2 | -29.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A195 S196 T197 R203 | A195-A199 VanDerWaalsContact O-CB 3.32Å; A195-A199 WeakPolarHBondContact O-CB 3.44Å; A195-A199 PolarHBondContact O-N 3.37Å; S196-A199 PolarHBondContact O-N 2.81Å; T197-A199 PolarHBondContact O-N 2.92Å; T197-A199 VanDerWaalsContact O-N 3.09Å; A199-R203 VanDerWaalsContact C-NH2 3.26Å; A199-R203 WeakPolarHBondContact O-CG 3.49Å; A199-R203 PolarHBondContact O-N 3.34Å; A199-R203 PolarHBondContact O-NE 2.97Å; A199-R203 VanDerWaalsContact O-NE 3.13Å; A199-R203 PolarHBondContact O-NH2 2.96Å |
| 200 | K | 98.6 | Very high | 98.4 | Very high | 126 Ų | 126 | 98.7 Ų | 98.7 | 55% | 0.548 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.7 | -47.7 | 167.8 | -67.2 | 173.9 | -180 | -177.4 | 0 | 110 | S196 T197 V202 R203 Q204 | S196-K200 WeakPolarHBondContact O-CG 3.38Å; S196-K200 PolarHBondContact O-N 2.84Å; T197-K200 CarbonylContact O-C 3.59Å; T197-K200 WeakPolarHBondContact O-CA 3.49Å; T197-K200 VanDerWaalsContact O-CB 3.27Å; T197-K200 WeakPolarHBondContact O-CB 3.42Å; T197-K200 PolarHBondContact O-N 3.07Å; K200-V202 VanDerWaalsContact C-N 3.34Å; K200-V202 PolarHBondContact O-N 2.74Å; K200-R203 VanDerWaalsContact N-NH2 3.19Å; K200-R203 CarbonylContact O-C 3.55Å; K200-R203 WeakPolarHBondContact O-CA 3.15Å; K200-R203 WeakPolarHBondContact O-CB 3.18Å; K200-R203 PolarHBondContact O-N 3.5Å; K200-Q204 PolarHBondContact O-N 3.04Å |
| 201 | D | 98.3 | Very high | 98.3 | Very high | 87 Ų | 87 | 98.1 Ų | 98.1 | 47% | 0.465 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | -176.1 | -49.5 | -28.7 | 0 | 0 | 0 | 111.4 | T197 M198 R203 Q204 F205 | T197-D201 PolarHBondContact O-N 2.96Å; M198-D201 WeakPolarHBondContact CA-OD2 3.36Å; M198-D201 PolarHBondContact O-N 2.64Å; D201-R203 PolarHBondContact O-N 3.42Å; D201-Q204 PolarHBondContact O-N 3.03Å; D201-F205 WeakPolarHBondContact O-CB 3.33Å; D201-F205 PolarHBondContact O-N 2.73Å |
| 202 | V | 98.7 | Very high | 98.3 | Very high | 84 Ų | 84 | 96.9 Ų | 96.9 | 51% | 0.509 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 173.6 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | M198 K200 W206 | M198-V202 WeakPolarHBondContact O-CG2 3.47Å; M198-V202 PolarHBondContact O-N 3.48Å; K200-V202 VanDerWaalsContact C-N 3.34Å; K200-V202 PolarHBondContact O-N 2.74Å; V202-W206 PolarHBondContact O-N 2.87Å; V202-W206 VanDerWaalsContact O-N 3.12Å |
| 203 | R | 98.1 | Very high | 98.3 | Very high | 153 Ų | 153 | 93.9 Ų | 93.9 | 58% | 0.577 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.6 | -40 | 174.1 | -75.1 | -179.6 | -66.6 | -106 | -3.6 | 111.7 | A199 K200 D201 W206 S207 | A199-R203 VanDerWaalsContact C-NH2 3.26Å; A199-R203 WeakPolarHBondContact O-CG 3.49Å; A199-R203 PolarHBondContact O-N 3.34Å; A199-R203 PolarHBondContact O-NE 2.97Å; A199-R203 VanDerWaalsContact O-NE 3.13Å; A199-R203 PolarHBondContact O-NH2 2.96Å; K200-R203 VanDerWaalsContact N-NH2 3.19Å; K200-R203 CarbonylContact O-C 3.55Å; K200-R203 WeakPolarHBondContact O-CA 3.15Å; K200-R203 WeakPolarHBondContact O-CB 3.18Å; K200-R203 PolarHBondContact O-N 3.5Å; D201-R203 PolarHBondContact O-N 3.42Å; R203-W206 PolarHBondContact O-N 3.27Å; R203-S207 WeakPolarHBondContact O-CB 3.44Å; R203-S207 PolarHBondContact O-N 2.66Å |
| 204 | Q | 98.4 | Very high | 98.2 | Very high | 98 Ų | 98 | 92 Ų | 92 | 46% | 0.458 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 179.1 | -168.2 | 56.6 | 47.8 | 0 | 0 | 111.8 | K200 D201 S207 N208 | K200-Q204 PolarHBondContact O-N 3.04Å; D201-Q204 PolarHBondContact O-N 3.03Å; Q204-S207 PolarHBondContact O-N 3.04Å; Q204-N208 PolarHBondContact NE2-OD1 3.14Å; Q204-N208 WeakPolarHBondContact O-CB 3.16Å; Q204-N208 PolarHBondContact O-N 3.22Å |
| 205 | F | 98.6 | Very high | 98.1 | Very high | 121 Ų | 121 | 94.6 Ų | 94.6 | 53% | 0.531 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -56.8 | -50.5 | 171.2 | 172.5 | -95.7 | 0 | 0 | 0 | 111.2 | D201 S207 N208 V209 | D201-F205 WeakPolarHBondContact O-CB 3.33Å; D201-F205 PolarHBondContact O-N 2.73Å; F205-S207 PolarHBondContact O-N 3.21Å; F205-N208 PolarHBondContact O-N 3.39Å; F205-V209 HydrophobicContact CD1-CG2 4.32Å; F205-V209 HydrophobicContact CE1-CG2 3.86Å; F205-V209 HydrophobicContact CE2-CG2 4.14Å; F205-V209 HydrophobicContact CZ-CG2 3.76Å; F205-V209 WeakPolarHBondContact O-CG2 3.41Å; F205-V209 PolarHBondContact O-N 3.36Å |
| 206 | W | 98.6 | Very high | 98.1 | Very high | 161 Ų | 161 | 98.3 Ų | 98.3 | 61% | 0.61 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.1 | -36.5 | 178.9 | -72.9 | 116.4 | 0 | 0 | 0 | 113 | V202 R203 V209 E210 | V202-W206 PolarHBondContact O-N 2.87Å; V202-W206 VanDerWaalsContact O-N 3.12Å; R203-W206 PolarHBondContact O-N 3.27Å; W206-V209 HydrophobicContact CE3-CB 4.33Å; W206-V209 HydrophobicContact CE3-CG1 4.29Å; W206-V209 HydrophobicContact CZ3-CG1 4.38Å; W206-V209 PolarHBondContact O-N 3.29Å; W206-E210 PolarHBondContact O-N 3.1Å |
| 207 | S | 98.4 | Very high | 98 | Very high | 44 Ų | 44 | 100.8 Ų | 100.8 | 31% | 0.308 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 171.1 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | R203 Q204 F205 E210 K211 | R203-S207 WeakPolarHBondContact O-CB 3.44Å; R203-S207 PolarHBondContact O-N 2.66Å; Q204-S207 PolarHBondContact O-N 3.04Å; F205-S207 PolarHBondContact O-N 3.21Å; S207-E210 WeakPolarHBondContact O-CB 3.32Å; S207-E210 PolarHBondContact O-N 3.06Å; S207-K211 WeakPolarHBondContact O-CG 3.08Å; S207-K211 PolarHBondContact O-N 2.94Å |
| 208 | N | 98.1 | Very high | 97.9 | Very high | 73 Ų | 73 | 101.8 Ų | 101.8 | 39% | 0.39 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.7 | -37.1 | 177.2 | -70.4 | -9.5 | 0 | 0 | 0 | 111.9 | Q204 F205 E210 K211 V212 | Q204-N208 PolarHBondContact NE2-OD1 3.14Å; Q204-N208 WeakPolarHBondContact O-CB 3.16Å; Q204-N208 PolarHBondContact O-N 3.22Å; F205-N208 PolarHBondContact O-N 3.39Å; N208-E210 VanDerWaalsContact C-N 3.34Å; N208-K211 PolarHBondContact O-N 2.69Å; N208-V212 WeakPolarHBondContact O-CG2 3.39Å; N208-V212 PolarHBondContact O-N 2.87Å |
| 209 | V | 97.9 | Very high | 97.8 | Very high | 52 Ų | 52 | 98.7 Ų | 98.7 | 32% | 0.315 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 170 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | F205 W206 V212 V213 | F205-V209 HydrophobicContact CD1-CG2 4.32Å; F205-V209 HydrophobicContact CE1-CG2 3.86Å; F205-V209 HydrophobicContact CE2-CG2 4.14Å; F205-V209 HydrophobicContact CZ-CG2 3.76Å; F205-V209 WeakPolarHBondContact O-CG2 3.41Å; F205-V209 PolarHBondContact O-N 3.36Å; W206-V209 HydrophobicContact CE3-CB 4.33Å; W206-V209 HydrophobicContact CE3-CG1 4.29Å; W206-V209 HydrophobicContact CZ3-CG1 4.38Å; W206-V209 PolarHBondContact O-N 3.29Å; V209-V212 PolarHBondContact O-N 3.39Å; V209-V213 WeakPolarHBondContact O-CG2 3.49Å; V209-V213 PolarHBondContact O-N 3.2Å |
| 210 | E | 97.3 | Very high | 97.6 | Very high | 112 Ų | 112 | 104.9 Ų | 104.9 | 52% | 0.523 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.5 | -49 | 175.3 | -161.6 | -166.7 | 157.2 | 0 | 0 | 111.4 | W206 S207 N208 V212 V213 Q214 | W206-E210 PolarHBondContact O-N 3.1Å; S207-E210 WeakPolarHBondContact O-CB 3.32Å; S207-E210 PolarHBondContact O-N 3.06Å; N208-E210 VanDerWaalsContact C-N 3.34Å; E210-V212 VanDerWaalsContact C-N 3.26Å; E210-V212 PolarHBondContact O-N 3.14Å; E210-V213 CarbonylContact O-C 3.54Å; E210-V213 WeakPolarHBondContact O-CA 3.35Å; E210-V213 PolarHBondContact O-N 3.08Å; E210-Q214 HydrophobicContact CG-CG 4.36Å; E210-Q214 WeakPolarHBondContact O-CG 3.35Å; E210-Q214 PolarHBondContact O-N 3.39Å; E210-Q214 PolarHBondContact OE1-NE2 3.43Å |
| 211 | K | 97.7 | Very high | 97.5 | Very high | 115 Ų | 115 | 103.4 Ų | 103.4 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -52.7 | -42.5 | 174.3 | -69.6 | 172.9 | -173.9 | 178.4 | 0 | 111.8 | S207 N208 Q214 F215 | S207-K211 WeakPolarHBondContact O-CG 3.08Å; S207-K211 PolarHBondContact O-N 2.94Å; N208-K211 PolarHBondContact O-N 2.69Å; K211-Q214 PolarHBondContact O-N 3.17Å; K211-F215 WeakPolarHBondContact O-CB 3.34Å; K211-F215 PolarHBondContact O-N 3.32Å |
| 212 | V | 97.8 | Very high | 97.4 | Very high | 77 Ų | 77 | 103.9 Ų | 103.9 | 47% | 0.467 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.6 | -35.7 | 176.8 | 170.5 | 0 | 0 | 0 | 0 | 112.5 | N208 V209 E210 K216 | N208-V212 WeakPolarHBondContact O-CG2 3.39Å; N208-V212 PolarHBondContact O-N 2.87Å; V209-V212 PolarHBondContact O-N 3.39Å; E210-V212 VanDerWaalsContact C-N 3.26Å; E210-V212 PolarHBondContact O-N 3.14Å; V212-K216 HydrophobicContact CG1-CD 4.4Å; V212-K216 WeakPolarHBondContact O-CB 3.39Å; V212-K216 WeakPolarHBondContact O-CG 3.12Å; V212-K216 PolarHBondContact O-N 3.47Å |
| 213 | V | 97.8 | Very high | 97.2 | Very high | 91 Ų | 91 | 104.5 Ų | 104.5 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -70.2 | -44.9 | 174.4 | 171.7 | 0 | 0 | 0 | 0 | 111 | V209 E210 K216 Q217 | V209-V213 WeakPolarHBondContact O-CG2 3.49Å; V209-V213 PolarHBondContact O-N 3.2Å; E210-V213 CarbonylContact O-C 3.54Å; E210-V213 WeakPolarHBondContact O-CA 3.35Å; E210-V213 PolarHBondContact O-N 3.08Å; V213-K216 PolarHBondContact O-N 2.98Å; V213-Q217 WeakPolarHBondContact O-CB 3.35Å; V213-Q217 PolarHBondContact O-N 3.34Å |
| 214 | Q | 96.6 | Very high | 97.1 | Very high | 107 Ų | 107 | 104.5 Ų | 104.5 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.3 | -48.6 | 173.6 | -68.9 | 177.9 | 9 | 0 | 0 | 110.6 | E210 K211 K216 Q217 Q218 | E210-Q214 HydrophobicContact CG-CG 4.36Å; E210-Q214 WeakPolarHBondContact O-CG 3.35Å; E210-Q214 PolarHBondContact O-N 3.39Å; E210-Q214 PolarHBondContact OE1-NE2 3.43Å; K211-Q214 PolarHBondContact O-N 3.17Å; Q214-K216 PolarHBondContact O-N 3.16Å; Q214-Q217 PolarHBondContact O-N 2.96Å; Q214-Q217 VanDerWaalsContact O-N 3.16Å; Q214-Q218 WeakPolarHBondContact O-CB 3.2Å; Q214-Q218 PolarHBondContact O-N 3.06Å |
| 215 | F | 97.3 | Very high | 97.1 | Very high | 139 Ų | 139 | 108.4 Ų | 108.4 | 61% | 0.61 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.8 | -44.3 | 176.2 | -179.5 | -98.1 | 0 | 0 | 0 | 112.6 | K211 Q217 Q218 S219 | K211-F215 WeakPolarHBondContact O-CB 3.34Å; K211-F215 PolarHBondContact O-N 3.32Å; F215-Q217 VanDerWaalsContact C-N 3.3Å; F215-Q217 PolarHBondContact O-N 3.02Å; F215-Q218 PolarHBondContact O-N 3.43Å; F215-S219 WeakPolarHBondContact O-CB 3.28Å; F215-S219 PolarHBondContact O-N 3.17Å |
| 216 | K | 96.8 | Very high | 97 | Very high | 137 Ų | 137 | 109.2 Ų | 109.2 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.2 | -33.6 | 175.9 | -79.4 | 176.1 | 176.8 | 172.5 | 0 | 112.9 | V212 V213 Q214 R220 | V212-K216 HydrophobicContact CG1-CD 4.4Å; V212-K216 WeakPolarHBondContact O-CB 3.39Å; V212-K216 WeakPolarHBondContact O-CG 3.12Å; V212-K216 PolarHBondContact O-N 3.47Å; V213-K216 PolarHBondContact O-N 2.98Å; Q214-K216 PolarHBondContact O-N 3.16Å; K216-R220 WeakPolarHBondContact O-CG 3.4Å; K216-R220 PolarHBondContact O-N 3.11Å |
| 217 | Q | 96.7 | Very high | 96.9 | Very high | 113 Ų | 113 | 106.9 Ų | 106.9 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.7 | -42.6 | 175.4 | 178.1 | 56.3 | 23.4 | 0 | 0 | 111.7 | V213 Q214 F215 R220 L221 | V213-Q217 WeakPolarHBondContact O-CB 3.35Å; V213-Q217 PolarHBondContact O-N 3.34Å; Q214-Q217 PolarHBondContact O-N 2.96Å; Q214-Q217 VanDerWaalsContact O-N 3.16Å; F215-Q217 VanDerWaalsContact C-N 3.3Å; F215-Q217 PolarHBondContact O-N 3.02Å; Q217-R220 PolarHBondContact O-N 3.37Å; Q217-L221 PolarHBondContact O-N 3.4Å |
| 218 | Q | 96.2 | Very high | 96.8 | Very high | 92 Ų | 92 | 107.8 Ų | 107.8 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -48 | 176.1 | -178.7 | 63.6 | 9.7 | 0 | 0 | 111.3 | Q214 F215 R220 L221 E222 | Q214-Q218 WeakPolarHBondContact O-CB 3.2Å; Q214-Q218 PolarHBondContact O-N 3.06Å; F215-Q218 PolarHBondContact O-N 3.43Å; Q218-R220 VanDerWaalsContact C-N 3.29Å; Q218-R220 PolarHBondContact O-N 2.81Å; Q218-L221 CarbonylContact O-C 3.55Å; Q218-L221 WeakPolarHBondContact O-CA 3.47Å; Q218-L221 VanDerWaalsContact O-CB 3.28Å; Q218-L221 WeakPolarHBondContact O-CB 3.47Å; Q218-L221 PolarHBondContact O-N 3.18Å; Q218-E222 HydrophobicContact CG-CG 4.42Å; Q218-E222 WeakPolarHBondContact CG-OE1 3.3Å; Q218-E222 PolarHBondContact NE2-OE1 2.95Å; Q218-E222 PolarHBondContact O-N 2.92Å |
| 219 | S | 97.1 | Very high | 96.7 | Very high | 54 Ų | 54 | 109.3 Ų | 109.3 | 38% | 0.378 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -55.9 | -40.2 | 176.4 | 178.4 | 0 | 0 | 0 | 0 | 112.5 | F215 L221 E222 E223 | F215-S219 WeakPolarHBondContact O-CB 3.28Å; F215-S219 PolarHBondContact O-N 3.17Å; S219-L221 VanDerWaalsContact C-N 3.3Å; S219-L221 PolarHBondContact O-N 3.03Å; S219-E222 PolarHBondContact O-N 2.65Å; S219-E223 WeakPolarHBondContact O-CB 3.19Å; S219-E223 PolarHBondContact O-N 3.2Å |
| 220 | R | 95.4 | Very high | 96.6 | Very high | 167 Ų | 167 | 110.5 Ų | 110.5 | 63% | 0.63 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.7 | -25.5 | 173.2 | -77.7 | 173.5 | 164.6 | -170.4 | -3.3 | 114.1 | K216 Q217 Q218 K224 | K216-R220 WeakPolarHBondContact O-CG 3.4Å; K216-R220 PolarHBondContact O-N 3.11Å; Q217-R220 PolarHBondContact O-N 3.37Å; Q218-R220 VanDerWaalsContact C-N 3.29Å; Q218-R220 PolarHBondContact O-N 2.81Å; R220-K224 WeakPolarHBondContact O-CG 3.38Å |
| 221 | L | 95.9 | Very high | 96.5 | Very high | 94 Ų | 94 | 111 Ų | 111 | 49% | 0.492 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -81.8 | -42.6 | 177.4 | -146.5 | 168.1 | 0 | 0 | 0 | 109.7 | Q217 Q218 S219 K224 R225 | Q217-L221 PolarHBondContact O-N 3.4Å; Q218-L221 CarbonylContact O-C 3.55Å; Q218-L221 WeakPolarHBondContact O-CA 3.47Å; Q218-L221 VanDerWaalsContact O-CB 3.28Å; Q218-L221 WeakPolarHBondContact O-CB 3.47Å; Q218-L221 PolarHBondContact O-N 3.18Å; S219-L221 VanDerWaalsContact C-N 3.3Å; S219-L221 PolarHBondContact O-N 3.03Å; L221-K224 PolarHBondContact O-N 3.35Å; L221-R225 PolarHBondContact O-N 2.86Å |
| 222 | E | 95.1 | Very high | 96.4 | Very high | 98 Ų | 98 | 110.8 Ų | 110.8 | 46% | 0.458 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 173.7 | -71.9 | 173.8 | -179.7 | 0 | 0 | 112.8 | Q218 S219 K224 R225 K226 | Q218-E222 HydrophobicContact CG-CG 4.42Å; Q218-E222 WeakPolarHBondContact CG-OE1 3.3Å; Q218-E222 PolarHBondContact NE2-OE1 2.95Å; Q218-E222 PolarHBondContact O-N 2.92Å; S219-E222 PolarHBondContact O-N 2.65Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 2.9Å; E222-R225 CarbonylContact O-C 3.56Å; E222-R225 PolarHBondContact O-N 3.08Å; E222-K226 WeakPolarHBondContact O-CB 3.38Å; E222-K226 PolarHBondContact O-N 3.24Å |
| 223 | E | 96.4 | Very high | 96.3 | Very high | 96 Ų | 96 | 111.9 Ų | 111.9 | 45% | 0.449 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.8 | -43.7 | 172.3 | -170.2 | -160.5 | 178.5 | 0 | 0 | 111 | S219 K226 K227 | S219-E223 WeakPolarHBondContact O-CB 3.19Å; S219-E223 PolarHBondContact O-N 3.2Å; E223-K226 PolarHBondContact O-N 3.4Å; E223-K227 WeakPolarHBondContact O-CG 3.41Å; E223-K227 PolarHBondContact O-N 3.45Å; E223-K227 WeakPolarHBondContact OE1-CE 3.49Å; E223-K227 IonicContact OE1-NZ 2.6Å; E223-K227 PolarHBondContact OE1-NZ 3.16Å |
| 224 | K | 96.1 | Very high | 96.2 | Very high | 154 Ų | 154 | 112.5 Ų | 112.5 | 67% | 0.67 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.8 | -41.8 | 175.2 | -69.8 | 172.6 | -177.3 | 179.5 | 0 | 111.7 | R220 L221 E222 K227 A228 | R220-K224 WeakPolarHBondContact O-CG 3.38Å; L221-K224 PolarHBondContact O-N 3.35Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 2.9Å; K224-K227 PolarHBondContact O-N 2.88Å; K224-A228 PolarHBondContact O-N 3.35Å |
| 225 | R | 96.8 | Very high | 96.1 | Very high | 180 Ų | 180 | 113.4 Ų | 113.4 | 68% | 0.679 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.9 | -42.7 | 176.2 | -170.7 | 176.9 | -177.6 | 169.9 | 0.5 | 111.3 | L221 E222 A228 L229 | L221-R225 PolarHBondContact O-N 2.86Å; E222-R225 CarbonylContact O-C 3.56Å; E222-R225 PolarHBondContact O-N 3.08Å; R225-A228 PolarHBondContact O-N 3.23Å; R225-L229 HydrophobicContact CG-CD1 4.42Å; R225-L229 WeakPolarHBondContact O-CG 3.3Å; R225-L229 PolarHBondContact O-N 2.83Å |
| 226 | K | 96.9 | Very high | 96.1 | Very high | 137 Ų | 137 | 110.6 Ų | 110.6 | 60% | 0.596 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63 | -47 | 175.4 | -175 | 175.3 | 177.9 | 179.2 | 0 | 111.1 | E222 E223 A228 L229 D230 | E222-K226 WeakPolarHBondContact O-CB 3.38Å; E222-K226 PolarHBondContact O-N 3.24Å; E223-K226 PolarHBondContact O-N 3.4Å; K226-A228 VanDerWaalsContact C-N 3.26Å; K226-A228 PolarHBondContact O-N 2.97Å; K226-L229 CarbonylContact O-C 3.58Å; K226-L229 WeakPolarHBondContact O-CA 3.41Å; K226-L229 WeakPolarHBondContact O-CB 3.42Å; K226-L229 PolarHBondContact O-N 3.31Å; K226-D230 PolarHBondContact O-N 3.43Å |
| 227 | K | 96.3 | Very high | 96.1 | Very high | 113 Ų | 113 | 107 Ų | 107 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.7 | -35 | 175.9 | -72.9 | 172.4 | -174 | 174.6 | 0 | 112.9 | E223 K224 L231 | E223-K227 WeakPolarHBondContact O-CG 3.41Å; E223-K227 PolarHBondContact O-N 3.45Å; E223-K227 WeakPolarHBondContact OE1-CE 3.49Å; E223-K227 IonicContact OE1-NZ 2.6Å; E223-K227 PolarHBondContact OE1-NZ 3.16Å; K224-K227 PolarHBondContact O-N 2.88Å; K227-L231 VanDerWaalsContact O-CG 3.31Å; K227-L231 WeakPolarHBondContact O-CG 3.28Å; K227-L231 PolarHBondContact O-N 3.03Å; K227-L231 VanDerWaalsContact O-N 3.11Å |
| 228 | A | 96.4 | Very high | 95.9 | Very high | 63 Ų | 63 | 102.2 Ų | 102.2 | 52% | 0.521 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.8 | -32.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K224 R225 K226 H232 | K224-A228 PolarHBondContact O-N 3.35Å; R225-A228 PolarHBondContact O-N 3.23Å; K226-A228 VanDerWaalsContact C-N 3.26Å; K226-A228 PolarHBondContact O-N 2.97Å; A228-H232 PolarHBondContact O-N 2.86Å |
| 229 | L | 95.4 | Very high | 95.8 | Very high | 105 Ų | 105 | 100.5 Ų | 100.5 | 55% | 0.55 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -75.7 | -40.2 | 173.6 | -68.4 | 168 | 0 | 0 | 0 | 112.3 | R225 K226 H232 L233 | R225-L229 HydrophobicContact CG-CD1 4.42Å; R225-L229 WeakPolarHBondContact O-CG 3.3Å; R225-L229 PolarHBondContact O-N 2.83Å; K226-L229 CarbonylContact O-C 3.58Å; K226-L229 WeakPolarHBondContact O-CA 3.41Å; K226-L229 WeakPolarHBondContact O-CB 3.42Å; K226-L229 PolarHBondContact O-N 3.31Å; L229-H232 WeakPolarHBondContact O-CB 3.43Å; L229-H232 PolarHBondContact O-N 3.13Å; L229-H232 VanDerWaalsContact O-N 3.11Å; L229-L233 PolarHBondContact O-N 2.98Å |
| 230 | D | 96.3 | Very high | 95.5 | Very high | 76 Ų | 76 | 101.8 Ų | 101.8 | 41% | 0.406 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56 | -51.6 | 172.7 | -98.3 | 6.5 | 0 | 0 | 0 | 110.1 | K226 H232 L233 D234 | K226-D230 PolarHBondContact O-N 3.43Å; D230-H232 PolarHBondContact O-N 2.94Å; D230-H232 VanDerWaalsContact O-N 3.14Å; D230-L233 CarbonylContact O-C 3.56Å; D230-L233 WeakPolarHBondContact O-CA 3.36Å; D230-L233 WeakPolarHBondContact O-CB 3.43Å; D230-L233 PolarHBondContact O-N 3.16Å; D230-D234 PolarHBondContact O-N 2.89Å |
| 231 | L | 95.9 | Very high | 95.4 | Very high | 122 Ų | 122 | 99.3 Ų | 99.3 | 64% | 0.639 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.4 | -27.8 | 177.2 | -74 | 168.5 | 0 | 0 | 0 | 113.3 | K227 F235 | K227-L231 VanDerWaalsContact O-CG 3.31Å; K227-L231 WeakPolarHBondContact O-CG 3.28Å; K227-L231 PolarHBondContact O-N 3.03Å; K227-L231 VanDerWaalsContact O-N 3.11Å; L231-F235 WeakPolarHBondContact O-CB 3.4Å; L231-F235 PolarHBondContact O-N 3.26Å |
| 232 | H | 94.6 | Very high | 95.2 | Very high | 112 Ų | 112 | 100.7 Ų | 100.7 | 52% | 0.519 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -78.6 | -37.3 | 174.1 | -172.5 | 47.8 | 0 | 0 | 0 | 112 | A228 L229 D230 F235 I236 | A228-H232 PolarHBondContact O-N 2.86Å; L229-H232 WeakPolarHBondContact O-CB 3.43Å; L229-H232 PolarHBondContact O-N 3.13Å; L229-H232 VanDerWaalsContact O-N 3.11Å; D230-H232 PolarHBondContact O-N 2.94Å; D230-H232 VanDerWaalsContact O-N 3.14Å; H232-F235 PolarHBondContact O-N 3.43Å; H232-I236 WeakPolarHBondContact O-CG1 3.46Å; H232-I236 PolarHBondContact O-N 3.35Å; H232-I236 VanDerWaalsContact O-N 3.07Å |
| 233 | L | 96.4 | Very high | 94.9 | Very high | 99 Ų | 99 | 103 Ų | 103 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -49 | 173.2 | -177.3 | 61.7 | 0 | 0 | 0 | 111.1 | L229 D230 F235 I236 V237 | L229-L233 PolarHBondContact O-N 2.98Å; D230-L233 CarbonylContact O-C 3.56Å; D230-L233 WeakPolarHBondContact O-CA 3.36Å; D230-L233 WeakPolarHBondContact O-CB 3.43Å; D230-L233 PolarHBondContact O-N 3.16Å; L233-F235 PolarHBondContact O-N 3.09Å; L233-I236 PolarHBondContact O-N 3.21Å; L233-V237 HydrophobicContact CD1-CG2 4.14Å; L233-V237 HydrophobicContact CG-CG2 4.3Å; L233-V237 WeakPolarHBondContact O-CG2 3.48Å; L233-V237 PolarHBondContact O-N 3.04Å |
| 234 | D | 95.6 | Very high | 94.7 | Very high | 105 Ų | 105 | 101.8 Ų | 101.8 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -53.6 | -42.4 | 173.2 | -74.5 | -17.3 | 0 | 0 | 0 | 111.5 | D230 G238 | D230-D234 PolarHBondContact O-N 2.89Å; D234-G238 WeakPolarHBondContact O-CA 3.36Å; D234-G238 PolarHBondContact O-N 3Å |
| 235 | F | 95.6 | Very high | 94.4 | Very high | 126 Ų | 126 | 98.8 Ų | 98.8 | 55% | 0.553 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.6 | -45.3 | 175.8 | 178.1 | -92.2 | 0 | 0 | 0 | 111.9 | L231 H232 L233 Q239 | L231-F235 WeakPolarHBondContact O-CB 3.4Å; L231-F235 PolarHBondContact O-N 3.26Å; H232-F235 PolarHBondContact O-N 3.43Å; L233-F235 PolarHBondContact O-N 3.09Å; F235-Q239 HydrophobicContact CE1-CG 4.18Å; F235-Q239 VanDerWaalsContact CE2-NE2 3.32Å; F235-Q239 HydrophobicContact CZ-CG 4.36Å; F235-Q239 VanDerWaalsContact CZ-NE2 3.31Å; F235-Q239 WeakPolarHBondContact O-CG 3.17Å; F235-Q239 PolarHBondContact O-N 3.27Å; F235-Q239 VanDerWaalsContact O-N 3.09Å |
| 236 | I | 95.8 | Very high | 93.9 | Very high | 80 Ų | 80 | 95.7 Ų | 95.7 | 41% | 0.41 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.9 | -50.5 | 179 | -68.5 | 165 | 0 | 0 | 0 | 110.7 | H232 L233 G238 Q239 T240 | H232-I236 WeakPolarHBondContact O-CG1 3.46Å; H232-I236 PolarHBondContact O-N 3.35Å; H232-I236 VanDerWaalsContact O-N 3.07Å; L233-I236 PolarHBondContact O-N 3.21Å; I236-G238 VanDerWaalsContact C-N 3.33Å; I236-G238 PolarHBondContact O-N 2.87Å; I236-Q239 WeakPolarHBondContact O-CB 3.44Å; I236-Q239 PolarHBondContact O-N 3.03Å; I236-T240 PolarHBondContact O-N 3.29Å |
| 237 | V | 96.5 | Very high | 93.4 | Very high | 61 Ų | 61 | 95.2 Ų | 95.2 | 37% | 0.37 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.3 | -49 | 178.1 | 173.8 | 0 | 0 | 0 | 0 | 109.6 | L233 Q239 T240 E241 | L233-V237 HydrophobicContact CD1-CG2 4.14Å; L233-V237 HydrophobicContact CG-CG2 4.3Å; L233-V237 WeakPolarHBondContact O-CG2 3.48Å; L233-V237 PolarHBondContact O-N 3.04Å; V237-Q239 PolarHBondContact O-N 2.98Å; V237-Q239 VanDerWaalsContact O-N 3.16Å; V237-T240 WeakPolarHBondContact CA-OG1 3.37Å; V237-T240 CarbonylContact O-C 3.54Å; V237-T240 WeakPolarHBondContact O-CA 3.33Å; V237-T240 PolarHBondContact O-N 2.93Å; V237-T240 PolarHBondContact O-OG1 2.88Å; V237-E241 HydrophobicContact CG1-CG 4.27Å; V237-E241 WeakPolarHBondContact O-CG 3.34Å; V237-E241 PolarHBondContact O-N 3.34Å |
| 238 | G | 94 | Very high | 92.8 | Very high | 12 Ų | 12 | 91.9 Ų | 91.9 | 12% | 0.124 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -67.2 | -9.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | D234 I236 K242 | D234-G238 WeakPolarHBondContact O-CA 3.36Å; D234-G238 PolarHBondContact O-N 3Å; I236-G238 VanDerWaalsContact C-N 3.33Å; I236-G238 PolarHBondContact O-N 2.87Å; G238-K242 VanDerWaalsContact O-CD 3.3Å; G238-K242 WeakPolarHBondContact O-CD 3.42Å; G238-K242 VanDerWaalsContact O-CE 3.3Å; G238-K242 WeakPolarHBondContact O-CE 3.35Å; G238-K242 VanDerWaalsContact O-CG 3.3Å; G238-K242 WeakPolarHBondContact O-CG 3.48Å; G238-K242 PolarHBondContact O-NZ 3.03Å |
| 239 | Q | 93.3 | Very high | 92 | Very high | 57 Ų | 57 | 95 Ų | 95 | 27% | 0.266 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -82.6 | -45.3 | 160.5 | -61.7 | -49.6 | -33.5 | 0 | 0 | 110.7 | F235 I236 V237 E241 K242 Y243 | F235-Q239 HydrophobicContact CE1-CG 4.18Å; F235-Q239 VanDerWaalsContact CE2-NE2 3.32Å; F235-Q239 HydrophobicContact CZ-CG 4.36Å; F235-Q239 VanDerWaalsContact CZ-NE2 3.31Å; F235-Q239 WeakPolarHBondContact O-CG 3.17Å; F235-Q239 PolarHBondContact O-N 3.27Å; F235-Q239 VanDerWaalsContact O-N 3.09Å; I236-Q239 WeakPolarHBondContact O-CB 3.44Å; I236-Q239 PolarHBondContact O-N 3.03Å; V237-Q239 PolarHBondContact O-N 2.98Å; V237-Q239 VanDerWaalsContact O-N 3.16Å; Q239-E241 VanDerWaalsContact C-N 3.3Å; Q239-E241 PolarHBondContact O-N 3.11Å; Q239-K242 PolarHBondContact O-N 2.98Å; Q239-K242 VanDerWaalsContact O-N 3.15Å; Q239-Y243 HydrophobicContact CB-CD2 4.42Å; Q239-Y243 HydrophobicContact CB-CE2 4.07Å; Q239-Y243 WeakPolarHBondContact O-CD2 3.48Å; Q239-Y243 PolarHBondContact O-N 3.42Å |
| 240 | T | 91.3 | Very high | 91 | Very high | 81 Ų | 81 | 94.1 Ų | 94.1 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.4 | -35 | 179.8 | 62.4 | 0 | 0 | 0 | 0 | 113 | I236 V237 Y243 S244 | I236-T240 PolarHBondContact O-N 3.29Å; V237-T240 WeakPolarHBondContact CA-OG1 3.37Å; V237-T240 CarbonylContact O-C 3.54Å; V237-T240 WeakPolarHBondContact O-CA 3.33Å; V237-T240 PolarHBondContact O-N 2.93Å; V237-T240 PolarHBondContact O-OG1 2.88Å; T240-Y243 PolarHBondContact O-N 3.44Å; T240-S244 WeakPolarHBondContact O-CB 3.46Å; T240-S244 PolarHBondContact O-N 2.71Å |
| 241 | E | 93.4 | Very high | 89.9 | Confident | 115 Ų | 115 | 97.8 Ų | 97.8 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 171.2 | -70.5 | 178.1 | 152.9 | 0 | 0 | 111.4 | V237 Q239 Y243 S244 D245 | V237-E241 HydrophobicContact CG1-CG 4.27Å; V237-E241 WeakPolarHBondContact O-CG 3.34Å; V237-E241 PolarHBondContact O-N 3.34Å; Q239-E241 VanDerWaalsContact C-N 3.3Å; Q239-E241 PolarHBondContact O-N 3.11Å; E241-Y243 VanDerWaalsContact C-N 3.3Å; E241-Y243 PolarHBondContact O-N 2.8Å; E241-S244 CarbonylContact O-C 3.58Å; E241-S244 WeakPolarHBondContact O-CA 3.28Å; E241-S244 WeakPolarHBondContact O-CB 3.42Å; E241-S244 PolarHBondContact O-N 3.41Å; E241-D245 PolarHBondContact O-N 3Å |
| 242 | K | 91 | Very high | 88.5 | Confident | 122 Ų | 122 | 98.2 Ų | 98.2 | 53% | 0.53 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -36.2 | 178 | -66 | 172.6 | -169.8 | 115.4 | 0 | 112.6 | G238 Q239 L246 | G238-K242 VanDerWaalsContact O-CD 3.3Å; G238-K242 WeakPolarHBondContact O-CD 3.42Å; G238-K242 VanDerWaalsContact O-CE 3.3Å; G238-K242 WeakPolarHBondContact O-CE 3.35Å; G238-K242 VanDerWaalsContact O-CG 3.3Å; G238-K242 WeakPolarHBondContact O-CG 3.48Å; G238-K242 PolarHBondContact O-NZ 3.03Å; Q239-K242 PolarHBondContact O-N 2.98Å; Q239-K242 VanDerWaalsContact O-N 3.15Å; K242-L246 WeakPolarHBondContact O-CB 3.44Å; K242-L246 PolarHBondContact O-N 3.27Å |
| 243 | Y | 90.1 | Very high | 86.6 | Confident | 148 Ų | 148 | 100.1 Ų | 100.1 | 58% | 0.58 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.4 | -37.9 | 172.6 | -66 | -54.6 | 0 | 0 | 0 | 111.7 | Q239 T240 E241 L246 L247 | Q239-Y243 HydrophobicContact CB-CD2 4.42Å; Q239-Y243 HydrophobicContact CB-CE2 4.07Å; Q239-Y243 WeakPolarHBondContact O-CD2 3.48Å; Q239-Y243 PolarHBondContact O-N 3.42Å; T240-Y243 PolarHBondContact O-N 3.44Å; E241-Y243 VanDerWaalsContact C-N 3.3Å; E241-Y243 PolarHBondContact O-N 2.8Å; Y243-L246 PolarHBondContact O-N 2.91Å; Y243-L247 WeakPolarHBondContact O-CB 3.35Å; Y243-L247 WeakPolarHBondContact O-CD1 3.27Å; Y243-L247 WeakPolarHBondContact O-CG 3.45Å; Y243-L247 PolarHBondContact O-N 2.76Å |
| 244 | S | 92.1 | Very high | 84.1 | Confident | 70 Ų | 70 | 100.6 Ų | 100.6 | 49% | 0.49 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 174.5 | -169.6 | 0 | 0 | 0 | 0 | 112.5 | T240 E241 L247 S248 | T240-S244 WeakPolarHBondContact O-CB 3.46Å; T240-S244 PolarHBondContact O-N 2.71Å; E241-S244 CarbonylContact O-C 3.58Å; E241-S244 WeakPolarHBondContact O-CA 3.28Å; E241-S244 WeakPolarHBondContact O-CB 3.42Å; E241-S244 PolarHBondContact O-N 3.41Å; S244-L247 PolarHBondContact O-N 2.75Å; S244-S248 WeakPolarHBondContact O-CB 3.34Å; S244-S248 PolarHBondContact O-N 2.93Å; S244-S248 PolarHBondContact O-OG 3.05Å |
| 245 | D | 88.6 | Confident | 81.8 | Confident | 90 Ų | 90 | 102.2 Ų | 102.2 | 48% | 0.481 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 174.2 | -79 | -14.8 | 0 | 0 | 0 | 111.4 | E241 S248 Q249 | E241-D245 PolarHBondContact O-N 3Å; D245-S248 WeakPolarHBondContact CA-OG 3.44Å; D245-S248 PolarHBondContact O-N 3.42Å; D245-S248 PolarHBondContact O-OG 3.26Å; D245-Q249 VanDerWaalsContact O-CB 3.28Å; D245-Q249 WeakPolarHBondContact O-CB 3.21Å; D245-Q249 VanDerWaalsContact O-CG 3.26Å; D245-Q249 WeakPolarHBondContact O-CG 3.34Å; D245-Q249 PolarHBondContact O-N 3.38Å |
| 246 | L | 86.3 | Confident | 78.9 | Confident | 115 Ų | 115 | 100.4 Ų | 100.4 | 60% | 0.602 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.9 | -40.7 | 177.5 | -174.8 | 61.9 | 0 | 0 | 0 | 112 | K242 Y243 S250 | K242-L246 WeakPolarHBondContact O-CB 3.44Å; K242-L246 PolarHBondContact O-N 3.27Å; Y243-L246 PolarHBondContact O-N 2.91Å; L246-S250 VanDerWaalsContact O-CB 3.27Å; L246-S250 WeakPolarHBondContact O-CB 3.43Å; L246-S250 PolarHBondContact O-N 2.95Å |
| 247 | L | 85.9 | Confident | 76.2 | Confident | 127 Ų | 127 | 101.7 Ų | 101.7 | 67% | 0.665 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.9 | -43.2 | 175.6 | -74.7 | 167.5 | 0 | 0 | 0 | 111.9 | Y243 S244 S250 L251 | Y243-L247 WeakPolarHBondContact O-CB 3.35Å; Y243-L247 WeakPolarHBondContact O-CD1 3.27Å; Y243-L247 WeakPolarHBondContact O-CG 3.45Å; Y243-L247 PolarHBondContact O-N 2.76Å; S244-L247 PolarHBondContact O-N 2.75Å; L247-S250 WeakPolarHBondContact O-CB 3.25Å; L247-S250 PolarHBondContact O-N 3.42Å; L247-L251 PolarHBondContact O-N 3.47Å |
| 248 | S | 83.8 | Confident | 73.6 | Confident | 44 Ų | 44 | 104.6 Ų | 104.6 | 31% | 0.308 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -74.8 | -33.2 | 179.9 | 60.2 | 0 | 0 | 0 | 0 | 112.7 | S244 D245 L251 N252 | S244-S248 WeakPolarHBondContact O-CB 3.34Å; S244-S248 PolarHBondContact O-N 2.93Å; S244-S248 PolarHBondContact O-OG 3.05Å; D245-S248 WeakPolarHBondContact CA-OG 3.44Å; D245-S248 PolarHBondContact O-N 3.42Å; D245-S248 PolarHBondContact O-OG 3.26Å; S248-L251 PolarHBondContact O-N 3.08Å; S248-N252 VanDerWaalsContact O-CB 3.32Å; S248-N252 WeakPolarHBondContact O-CB 3.39Å; S248-N252 PolarHBondContact O-N 2.88Å; S248-N252 PolarHBondContact O-ND2 3.39Å |
| 249 | Q | 80 | Confident | 70.9 | Confident | 127 Ų | 127 | 113.6 Ų | 113.6 | 59% | 0.593 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.3 | -41.6 | 166.6 | -75.8 | 179.6 | 43.1 | 0 | 0 | 111.5 | D245 L251 N252 Q253 | D245-Q249 VanDerWaalsContact O-CB 3.28Å; D245-Q249 WeakPolarHBondContact O-CB 3.21Å; D245-Q249 VanDerWaalsContact O-CG 3.26Å; D245-Q249 WeakPolarHBondContact O-CG 3.34Å; D245-Q249 PolarHBondContact O-N 3.38Å; Q249-L251 VanDerWaalsContact C-N 3.26Å; Q249-L251 PolarHBondContact O-N 2.86Å; Q249-N252 PolarHBondContact O-N 3.34Å; Q249-Q253 PolarHBondContact O-N 3.06Å |
| 250 | S | 74.3 | Confident | 68.5 | Low | 87 Ų | 87 | 115.9 Ų | 115.9 | 61% | 0.608 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -62.4 | -32.2 | 174.5 | -170.3 | 0 | 0 | 0 | 0 | 112.7 | L246 L247 | L246-S250 VanDerWaalsContact O-CB 3.27Å; L246-S250 WeakPolarHBondContact O-CB 3.43Å; L246-S250 PolarHBondContact O-N 2.95Å; L247-S250 WeakPolarHBondContact O-CB 3.25Å; L247-S250 PolarHBondContact O-N 3.42Å |
| 251 | L | 73.4 | Confident | 65.9 | Low | 153 Ų | 153 | 115.9 Ų | 115.9 | 80% | 0.801 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -80.2 | -29.2 | 177.5 | -150.8 | 75.8 | 0 | 0 | 0 | 113.6 | L247 S248 Q249 | L247-L251 PolarHBondContact O-N 3.47Å; S248-L251 PolarHBondContact O-N 3.08Å; Q249-L251 VanDerWaalsContact C-N 3.26Å; Q249-L251 PolarHBondContact O-N 2.86Å |
| 252 | N | 66.4 | Low | 63.5 | Low | 132 Ų | 132 | 116.1 Ų | 116.1 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -91.9 | 2.5 | -176.8 | -73.6 | -48.6 | 0 | 0 | 0 | 114.4 | S248 Q249 | S248-N252 VanDerWaalsContact O-CB 3.32Å; S248-N252 WeakPolarHBondContact O-CB 3.39Å; S248-N252 PolarHBondContact O-N 2.88Å; S248-N252 PolarHBondContact O-ND2 3.39Å; Q249-N252 PolarHBondContact O-N 3.34Å |
| 253 | Q | 54.8 | Low | 61.3 | Low | 152 Ų | 152 | 115.1 Ų | 115.1 | 71% | 0.71 | 70% | 0.695 | S | S | * | * | trans | -72.1 | 127 | 174.5 | -80.6 | -171.6 | 8.2 | 0 | 0 | 111.9 | Q249 | Q249-Q253 PolarHBondContact O-N 3.06Š| ||
| 254 | P | 44.3 | Very low | 59.6 | Low | 109 Ų | 109 | 113.6 Ų | 113.6 | 71% | 0.708 | 70% | 0.703 | S | S | * | * | trans | -67.4 | 146.4 | 168.1 | 29.2 | -33.6 | 0 | 0 | 0 | 110.6 | A256 | P254-A256 PolarHBondContact O-N 3.29Š| ||
| 255 | P | 46.7 | Very low | 56.8 | Low | 138 Ų | 138 | 115 Ų | 115 | 90% | 0.896 | 71% | 0.713 | S | S | * | * | trans | -75.6 | 111.5 | -160.7 | 27.7 | -35.7 | 0 | 0 | 0 | 114.2 | ||||
| 256 | A | 36 | Very low | 54.7 | Low | 88 Ų | 88 | 119.2 Ų | 119.2 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -136.1 | 72.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P254 | P254-A256 PolarHBondContact O-N 3.29Š| ||
| 257 | S | 38.7 | Very low | 52.1 | Low | 108 Ų | 108 | 117 Ų | 117 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | 56.7 | 108.6 | 152.4 | 60 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 258 | S | 41.8 | Very low | 49.9 | Very low | 121 Ų | 121 | 116.4 Ų | 116.4 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | trans | 72.4 | 153 | 150 | 80.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 259 | K | 35.9 | Very low | 48.4 | Very low | 201 Ų | 201 | 119.6 Ų | 119.6 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | cis | -144.6 | 151 | 16.8 | -169.3 | 170.9 | 180 | 175.8 | 0 | 111.8 | ||||
| 260 | A | 43.8 | Very low | 46.5 | Very low | 106 Ų | 106 | 119.3 Ų | 119.3 | 88% | 0.876 | 78% | 0.78 | S | S | * | * | trans | -75.9 | 150.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 261 | G | 36.7 | Very low | 44.9 | Very low | 80 Ų | 80 | 120 Ų | 120 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -161.9 | 85.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 262 | S | 42.8 | Very low | 43.2 | Very low | 121 Ų | 121 | 117.7 Ų | 117.7 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -49.7 | 146.6 | -175.2 | -169.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 263 | S | 44.5 | Very low | 41.7 | Very low | 101 Ų | 101 | 116.9 Ų | 116.9 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | -63.2 | 171.6 | 155.6 | -37 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 264 | P | 55.8 | Low | 41.2 | Very low | 115 Ų | 115 | 114.8 Ų | 114.8 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | -157.2 | 165.1 | 80.7 | 44.2 | -24.4 | 0 | 0 | 0 | 119.3 | |||||
| 265 | C | 33.2 | Very low | 41.5 | Very low | 101 Ų | 101 | 115.3 Ų | 115.3 | 68% | 0.682 | 80% | 0.804 | S | S | * | * | trans | 45.1 | 125.7 | 143.9 | 68.5 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 266 | L | 43.2 | Very low | 42 | Very low | 178 Ų | 178 | 114.2 Ų | 114.2 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | 68.8 | 147.9 | 123.8 | -61.9 | 172.2 | 0 | 0 | 0 | 123.6 | |||||
| 267 | G | 31.5 | Very low | 42.9 | Very low | 69 Ų | 69 | 115.4 Ų | 115.4 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | 123.1 | 90.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 268 | S | 40.4 | Very low | 43.5 | Very low | 113 Ų | 113 | 116.4 Ų | 116.4 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | 63 | 94.2 | 68.9 | -62.1 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 269 | S | 51.4 | Low | 43.4 | Very low | 111 Ų | 111 | 117.6 Ų | 117.6 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | 41.4 | 127.2 | 136 | 60.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 270 | S | 41.3 | Very low | 43.6 | Very low | 122 Ų | 122 | 113.7 Ų | 113.7 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -166.7 | 123.1 | 139 | -86.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 271 | A | 41.1 | Very low | 43.6 | Very low | 100 Ų | 100 | 119.3 Ų | 119.3 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | 62.7 | 158.8 | 134.4 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 272 | A | 36.2 | Very low | 43.8 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | trans | 69.8 | 134.8 | 173 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 273 | S | 36.3 | Very low | 43.6 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | cis | -153 | 149.4 | -8 | -176.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 274 | S | 43.5 | Very low | 43.7 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -69.7 | 161 | 167 | -46.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 275 | P | 50.9 | Low | 43.4 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | -129.7 | 155.1 | 110.2 | 36.9 | -30.6 | 0 | 0 | 0 | 113.5 | |||||
| 276 | P | 58.2 | Low | 44.4 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 159.1 | 179.6 | 35.6 | -35.6 | 0 | 0 | 0 | 113.3 | ||
| 277 | P | 54.2 | Low | 44.6 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -75 | 154.6 | 167.2 | 33.3 | -35 | 0 | 0 | 0 | 111.7 | ||
| 278 | P | 50.3 | Low | 45.5 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 140.9 | 172.8 | 31.9 | -33.8 | 0 | 0 | 0 | 111.4 | ||
| 279 | V | 40.7 | Very low | 45.7 | Very low | 145 Ų | 145 | 135 Ų | 135 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 132.1 | 165.9 | -73.7 | 0 | 0 | 0 | 0 | 110.2 | ||
| 280 | S | 40.7 | Very low | 45.7 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -122.9 | 114.5 | 164.5 | 51.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 281 | R | 42.9 | Very low | 45.9 | Very low | 224 Ų | 224 | 135.3 Ų | 135.3 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | -76.4 | -178 | 172.4 | -85.2 | -179.7 | 149.8 | 124.5 | -5.5 | 111.4 | ||||
| 282 | L | 40.3 | Very low | 46 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | trans | 92.3 | 107.1 | -169.8 | -56.4 | 177.9 | 0 | 0 | 0 | 110.5 | ||||
| 283 | D | 38.5 | Very low | 46.5 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | cis | -139.5 | 165 | -1.8 | -97.2 | -89.8 | 0 | 0 | 0 | 110.8 | ||||
| 284 | D | 47.3 | Very low | 47 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -84.2 | 115.6 | 172.8 | -65.8 | -112 | 0 | 0 | 0 | 109.5 | ||||
| 285 | E | 49.3 | Very low | 47.5 | Very low | 199 Ų | 199 | 146 Ų | 146 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | trans | -123.9 | 130.2 | 156.6 | -160.7 | 170.3 | 177.7 | 0 | 0 | 107.8 | ||||
| 286 | D | 53.6 | Low | 47.4 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 91% | 0.914 | 79% | 0.785 | S | S | * | * | trans | -107.7 | 143.7 | -160.2 | -169.8 | 11.9 | 0 | 0 | 0 | 111.3 | ||||
| 287 | G | 48.4 | Very low | 47.1 | Very low | 63 Ų | 63 | 151.3 Ų | 151.3 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | trans | 120.6 | 83.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | F289 | G287-F289 PolarHBondContact O-N 3.33Š| ||
| 288 | D | 49.3 | Very low | 47 | Very low | 147 Ų | 147 | 152.3 Ų | 152.3 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | -61.3 | 97.7 | 156.7 | -105 | -59.2 | 0 | 0 | 0 | 109.1 | Q290 | D288-Q290 PolarHBondContact OD1-NE2 3.16Š| ||
| 289 | F | 45 | Very low | 47.2 | Very low | 180 Ų | 180 | 150.8 Ų | 150.8 | 79% | 0.789 | 77% | 0.772 | S | S | * | * | trans | -99.9 | 89.2 | 156.7 | -171.4 | -95.4 | 0 | 0 | 0 | 108.4 | G287 P291 | G287-F289 PolarHBondContact O-N 3.33Å; F289-P291 HydrophobicContact CE1-CG 4.47Å; F289-P291 WeakPolarHBondContact O-CD 3.5Å | ||
| 290 | Q | 51.5 | Low | 47.9 | Very low | 140 Ų | 140 | 150.8 Ų | 150.8 | 65% | 0.654 | 76% | 0.763 | S | S | * | * | trans | -77.8 | 117.8 | 168.4 | -64.9 | -179.8 | 4.9 | 0 | 0 | 107.7 | D288 Q292 | D288-Q290 PolarHBondContact OD1-NE2 3.16Å; Q290-Q292 PolarHBondContact O-N 3.06Å | ||
| 291 | P | 46 | Very low | 48.6 | Very low | 99 Ų | 99 | 152.2 Ų | 152.2 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | trans | -66.9 | 107.5 | 163.4 | -8.9 | 26.3 | 0 | 0 | 0 | 106.2 | F289 E293 | F289-P291 HydrophobicContact CE1-CG 4.47Å; F289-P291 WeakPolarHBondContact O-CD 3.5Å; P291-E293 PolarHBondContact O-N 3.49Å | ||
| 292 | Q | 42.6 | Very low | 49.5 | Very low | 148 Ų | 148 | 145.3 Ų | 145.3 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | trans | -61.9 | 124 | 159.2 | -112.4 | 157.1 | -108 | 0 | 0 | 106.1 | Q290 E294 | Q290-Q292 PolarHBondContact O-N 3.06Å; Q292-E294 PolarHBondContact NE2-OE1 2.86Å; Q292-E294 PolarHBondContact O-N 2.92Å | ||
| 293 | E | 47.9 | Very low | 50.2 | Low | 195 Ų | 195 | 143 Ų | 143 | 91% | 0.911 | 73% | 0.726 | S | S | * | * | trans | -73.6 | 56.3 | 168 | -66.3 | 178.3 | 157.7 | 0 | 0 | 108.7 | P291 E295 | P291-E293 PolarHBondContact O-N 3.49Å; E293-E295 PolarHBondContact O-N 3.16Å | ||
| 294 | E | 46 | Very low | 51.4 | Low | 128 Ų | 128 | 142.1 Ų | 142.1 | 60% | 0.598 | 72% | 0.717 | S | S | * | * | trans | -76.3 | 101.2 | 154.2 | -83.4 | 168.7 | -127.4 | 0 | 0 | 105.3 | Q292 E296 | Q292-E294 PolarHBondContact NE2-OE1 2.86Å; Q292-E294 PolarHBondContact O-N 2.92Å; E294-E296 PolarHBondContact O-N 3.48Å | ||
| 295 | E | 52.8 | Low | 52.2 | Low | 182 Ų | 182 | 138.2 Ų | 138.2 | 85% | 0.85 | 70% | 0.699 | S | S | * | * | trans | -64.8 | 77.7 | 159.4 | -67.4 | 176.8 | 144.7 | 0 | 0 | 106.8 | E293 E297 | E293-E295 PolarHBondContact O-N 3.16Å; E295-E297 PolarHBondContact O-N 3.14Å | ||
| 296 | E | 50 | Low | 52.9 | Low | 171 Ų | 171 | 135.5 Ų | 135.5 | 80% | 0.799 | 69% | 0.686 | S | S | * | * | trans | -60.4 | 84.8 | 151.2 | -70.9 | -175.5 | 163.2 | 0 | 0 | 105.8 | E294 D298 | E294-E296 PolarHBondContact O-N 3.48Å; E296-D298 VanDerWaalsContact C-N 3.27Å; E296-D298 PolarHBondContact O-N 2.84Å | ||
| 297 | E | 51 | Low | 53.4 | Low | 174 Ų | 174 | 131.2 Ų | 131.2 | 81% | 0.813 | 66% | 0.661 | S | S | * | * | trans | -57.3 | 100.2 | 156.2 | -69.6 | -172.3 | 126.7 | 0 | 0 | 105.6 | E295 D299 | E295-E297 PolarHBondContact O-N 3.14Å; E297-D299 PolarHBondContact O-N 3.27Å | ||
| 298 | D | 52 | Low | 54 | Low | 134 Ų | 134 | 133.5 Ų | 133.5 | 72% | 0.717 | 66% | 0.655 | S | S | * | * | trans | -52.9 | 101.3 | 174.4 | -170.4 | 8.1 | 0 | 0 | 0 | 107.7 | E296 E300 | E296-D298 VanDerWaalsContact C-N 3.27Å; E296-D298 PolarHBondContact O-N 2.84Å; D298-E300 VanDerWaalsContact C-N 3.33Å; D298-E300 PolarHBondContact O-N 3.17Å | ||
| 299 | D | 55.8 | Low | 54.5 | Low | 98 Ų | 98 | 134.3 Ų | 134.3 | 52% | 0.524 | 65% | 0.654 | S | S | . | * | trans | -80.9 | 84.1 | -167 | 63 | -3.3 | 0 | 0 | 0 | 109.3 | E297 E301 T302 | E297-D299 PolarHBondContact O-N 3.27Å; D299-E301 PolarHBondContact O-N 3.05Å; D299-T302 VanDerWaalsContact CG-OG1 3.28Å; D299-T302 WeakPolarHBondContact O-CB 3.29Å; D299-T302 PolarHBondContact O-N 3.1Å; D299-T302 PolarHBondContact O-OG1 2.9Å; D299-T302 PolarHBondContact OD1-OG1 2.62Å; D299-T302 PolarHBondContact OD2-OG1 2.87Å | ||
| 300 | E | 54.7 | Low | 55.2 | Low | 146 Ų | 146 | 133.4 Ų | 133.4 | 68% | 0.682 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -18.8 | 179.9 | -69.3 | -171.7 | -170 | 0 | 0 | 112.9 | D298 T302 I303 E304 | D298-E300 VanDerWaalsContact C-N 3.33Å; D298-E300 PolarHBondContact O-N 3.17Å; E300-T302 PolarHBondContact O-N 3.23Å; E300-I303 PolarHBondContact O-N 2.88Å; E300-E304 PolarHBondContact O-N 2.86Å |
| 301 | E | 55.1 | Low | 55.6 | Low | 148 Ų | 148 | 128.9 Ų | 128.9 | 69% | 0.692 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -51.7 | -38.1 | 164.7 | -74.3 | -161.4 | 156.1 | 0 | 0 | 112.9 | D299 I303 E304 V305 | D299-E301 PolarHBondContact O-N 3.05Å; E301-I303 VanDerWaalsContact C-N 3.31Å; E301-I303 PolarHBondContact O-N 3.2Å; E301-E304 PolarHBondContact O-N 3.41Å; E301-V305 WeakPolarHBondContact O-CB 3.27Å; E301-V305 WeakPolarHBondContact O-CG2 3.46Å; E301-V305 PolarHBondContact O-N 3.2Å |
| 302 | T | 61.5 | Low | 56.4 | Low | 79 Ų | 79 | 127.6 Ų | 127.6 | 49% | 0.485 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -59.3 | -40.9 | 178 | -68 | 0 | 0 | 0 | 0 | 111.6 | D299 E300 E306 | D299-T302 VanDerWaalsContact CG-OG1 3.28Å; D299-T302 WeakPolarHBondContact O-CB 3.29Å; D299-T302 PolarHBondContact O-N 3.1Å; D299-T302 PolarHBondContact O-OG1 2.9Å; D299-T302 PolarHBondContact OD1-OG1 2.62Å; D299-T302 PolarHBondContact OD2-OG1 2.87Å; E300-T302 PolarHBondContact O-N 3.23Å; T302-E306 PolarHBondContact O-N 3.36Å; T302-E306 VanDerWaalsContact O-N 3.16Å |
| 303 | I | 56.3 | Low | 58.1 | Low | 109 Ų | 109 | 122.3 Ų | 122.3 | 56% | 0.559 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -76.5 | -42.9 | 179.6 | -40.7 | 177.4 | 0 | 0 | 0 | 110.3 | E300 E301 V305 E306 E307 | E300-I303 PolarHBondContact O-N 2.88Å; E301-I303 VanDerWaalsContact C-N 3.31Å; E301-I303 PolarHBondContact O-N 3.2Å; I303-V305 VanDerWaalsContact C-N 3.31Å; I303-V305 PolarHBondContact O-N 3Å; I303-E306 PolarHBondContact O-N 3.42Å; I303-E307 PolarHBondContact O-N 3Å |
| 304 | E | 62.4 | Low | 59.6 | Low | 120 Ų | 120 | 115.6 Ų | 115.6 | 56% | 0.561 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.7 | -36.1 | 178.7 | -146.9 | -170.6 | -173.8 | 0 | 0 | 111.6 | E300 E301 Q308 | E300-E304 PolarHBondContact O-N 2.86Å; E301-E304 PolarHBondContact O-N 3.41Å; E304-Q308 WeakPolarHBondContact O-CB 3.42Å; E304-Q308 WeakPolarHBondContact O-CG 3.5Å; E304-Q308 PolarHBondContact O-N 3.17Å; E304-Q308 VanDerWaalsContact O-N 3.09Å; E304-Q308 PolarHBondContact O-NE2 2.83Å |
| 305 | V | 64.4 | Low | 61.4 | Low | 72 Ų | 72 | 114.9 Ų | 114.9 | 44% | 0.436 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70.5 | -35.5 | 174.5 | 168 | 0 | 0 | 0 | 0 | 111.9 | E301 I303 Q309 | E301-V305 WeakPolarHBondContact O-CB 3.27Å; E301-V305 WeakPolarHBondContact O-CG2 3.46Å; E301-V305 PolarHBondContact O-N 3.2Å; I303-V305 VanDerWaalsContact C-N 3.31Å; I303-V305 PolarHBondContact O-N 3Å; V305-Q309 WeakPolarHBondContact O-CB 3.47Å; V305-Q309 PolarHBondContact O-N 2.92Å |
| 306 | E | 64.6 | Low | 63 | Low | 141 Ų | 141 | 108.8 Ų | 108.8 | 66% | 0.659 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.4 | -44.4 | 176 | -168.6 | 162.7 | -136.4 | 0 | 0 | 111.4 | T302 I303 Q308 Q309 E310 | T302-E306 PolarHBondContact O-N 3.36Å; T302-E306 VanDerWaalsContact O-N 3.16Å; I303-E306 PolarHBondContact O-N 3.42Å; E306-Q308 PolarHBondContact O-N 3.23Å; E306-Q309 PolarHBondContact O-N 3.48Å; E306-E310 PolarHBondContact O-N 2.85Å |
| 307 | E | 64.3 | Low | 64.7 | Low | 82 Ų | 82 | 105 Ų | 105 | 38% | 0.383 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 175.2 | -169.1 | -178.4 | -110.5 | 0 | 0 | 112.1 | I303 Q309 G311 N312 | I303-E307 PolarHBondContact O-N 3Å; E307-Q309 PolarHBondContact O-N 3.2Å; E307-G311 PolarHBondContact O-N 3.2Å; E307-N312 HydrophobicContact CG-CB 4.47Å; E307-N312 PolarHBondContact O-N 3.4Å |
| 308 | Q | 61.1 | Low | 66.6 | Low | 110 Ų | 110 | 105.4 Ų | 105.4 | 51% | 0.514 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.3 | -24.2 | 173.5 | -72.7 | 169.6 | 40.7 | 0 | 0 | 113.3 | E304 E306 D313 | E304-Q308 WeakPolarHBondContact O-CB 3.42Å; E304-Q308 WeakPolarHBondContact O-CG 3.5Å; E304-Q308 PolarHBondContact O-N 3.17Å; E304-Q308 VanDerWaalsContact O-N 3.09Å; E304-Q308 PolarHBondContact O-NE2 2.83Å; E306-Q308 PolarHBondContact O-N 3.23Å; Q308-D313 HydrophobicContact CG-CB 4.47Å |
| 309 | Q | 58.9 | Low | 68.4 | Low | 164 Ų | 164 | 104.5 Ų | 104.5 | 77% | 0.766 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -96.6 | -25.3 | -177.1 | -160.1 | 153.2 | 129.6 | 0 | 0 | 113.4 | V305 E306 E307 | V305-Q309 WeakPolarHBondContact O-CB 3.47Å; V305-Q309 PolarHBondContact O-N 2.92Å; E306-Q309 PolarHBondContact O-N 3.48Å; E307-Q309 PolarHBondContact O-N 3.2Å |
| 310 | E | 60.5 | Low | 70 | Confident | 162 Ų | 162 | 104.9 Ų | 104.9 | 76% | 0.757 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -75.4 | -14.2 | 166.1 | -165.4 | 163.9 | -128.5 | 0 | 0 | 112.1 | E306 | E306-E310 PolarHBondContact O-N 2.85Å |
| 311 | G | 59.7 | Low | 71.6 | Confident | 44 Ų | 44 | 102.1 Ų | 102.1 | 45% | 0.454 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 24.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | E307 | E307-G311 PolarHBondContact O-N 3.2Š|
| 312 | N | 61.9 | Low | 73.5 | Confident | 72 Ų | 72 | 101.5 Ų | 101.5 | 39% | 0.385 | 50% | 0.504 | S | S | . | . | trans | -109.1 | 24.4 | -177.1 | -160.2 | 21.2 | 0 | 0 | 0 | 111.6 | E307 | E307-N312 HydrophobicContact CG-CB 4.47Å; E307-N312 PolarHBondContact O-N 3.4Å | ||
| 313 | D | 79.9 | Confident | 74.9 | Confident | 37 Ų | 37 | 103.6 Ų | 103.6 | 20% | 0.198 | 51% | 0.512 | C | S | . | . | trans | -60.1 | 153.4 | -170.3 | 70.4 | -91 | 0 | 0 | 0 | 113.3 | Q308 E315 T316 Q317 | Q308-D313 HydrophobicContact CG-CB 4.47Å; D313-E315 PolarHBondContact O-N 3.2Å; D313-E315 VanDerWaalsContact OD2-CA 3.3Å; D313-E315 WeakPolarHBondContact OD2-CA 3.23Å; D313-E315 WeakPolarHBondContact OD2-CB 3.32Å; D313-E315 PolarHBondContact OD2-N 3.29Å; D313-T316 PolarHBondContact O-N 3.43Å; D313-T316 WeakPolarHBondContact OD1-CB 3.4Å; D313-T316 PolarHBondContact OD1-OG1 3.49Å; D313-T316 PolarHBondContact OD2-N 3.21Å; D313-T316 PolarHBondContact OD2-OG1 3.37Å; D313-Q317 PolarHBondContact O-N 3.32Å | ||
| 314 | A | 78.6 | Confident | 76.4 | Confident | 54 Ų | 54 | 103.1 Ų | 103.1 | 45% | 0.446 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -10.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R318 | A314-R318 WeakPolarHBondContact O-CD 3.28Å; A314-R318 WeakPolarHBondContact O-CG 3.26Å; A314-R318 PolarHBondContact O-NE 3.12Å; A314-R318 VanDerWaalsContact O-NE 3.17Å |
| 315 | E | 83.6 | Confident | 77.7 | Confident | 114 Ų | 114 | 104.2 Ų | 104.2 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -42.3 | 169.8 | -154.7 | -165.8 | -166.1 | 0 | 0 | 111.1 | D313 R318 R319 | D313-E315 PolarHBondContact O-N 3.2Å; D313-E315 VanDerWaalsContact OD2-CA 3.3Å; D313-E315 WeakPolarHBondContact OD2-CA 3.23Å; D313-E315 WeakPolarHBondContact OD2-CB 3.32Å; D313-E315 PolarHBondContact OD2-N 3.29Å; E315-R318 WeakPolarHBondContact O-CB 3.43Å; E315-R318 PolarHBondContact O-N 2.73Å; E315-R319 VanDerWaalsContact CD-NH1 3.29Å; E315-R319 WeakPolarHBondContact O-CG 3.45Å; E315-R319 PolarHBondContact O-N 3.25Å; E315-R319 IonicContact OE1-CZ 3.12Å; E315-R319 IonicContact OE1-NH2 3Å; E315-R319 PolarHBondContact OE1-NH2 3.13Å; E315-R319 IonicContact OE2-CZ 2.63Å; E315-R319 IonicContact OE2-NH1 2.76Å; E315-R319 PolarHBondContact OE2-NH1 3Å; E315-R319 IonicContact OE2-NH2 3.87Å; E315-R319 PolarHBondContact OE2-NH2 3.35Å |
| 316 | T | 86.4 | Confident | 78.8 | Confident | 54 Ų | 54 | 106.4 Ų | 106.4 | 33% | 0.331 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 173.1 | -65.9 | 0 | 0 | 0 | 0 | 112 | D313 R318 R319 E320 | D313-T316 PolarHBondContact O-N 3.43Å; D313-T316 WeakPolarHBondContact OD1-CB 3.4Å; D313-T316 PolarHBondContact OD1-OG1 3.49Å; D313-T316 PolarHBondContact OD2-N 3.21Å; D313-T316 PolarHBondContact OD2-OG1 3.37Å; T316-R318 VanDerWaalsContact C-N 3.28Å; T316-R318 PolarHBondContact O-N 3.16Å; T316-R319 WeakPolarHBondContact O-CB 3.38Å; T316-R319 PolarHBondContact O-N 3.18Å; T316-R319 VanDerWaalsContact O-N 3.11Å; T316-E320 PolarHBondContact O-N 2.94Å |
| 317 | Q | 85.5 | Confident | 79.9 | Confident | 90 Ų | 90 | 104.2 Ų | 104.2 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -35.5 | 174.5 | -169.3 | -178.5 | 100.3 | 0 | 0 | 112.1 | D313 E320 I321 | D313-Q317 PolarHBondContact O-N 3.32Å; Q317-E320 PolarHBondContact O-N 3.45Å; Q317-I321 HydrophobicContact CG-CD1 4.22Å; Q317-I321 WeakPolarHBondContact O-CD1 3.18Å; Q317-I321 VanDerWaalsContact O-CG1 3.28Å; Q317-I321 WeakPolarHBondContact O-CG1 3.43Å; Q317-I321 PolarHBondContact O-N 2.82Å |
| 318 | R | 90.7 | Very high | 81 | Confident | 183 Ų | 183 | 103.6 Ų | 103.6 | 69% | 0.691 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.3 | -41.3 | 173.1 | -73.5 | 168.2 | -168.3 | -92.5 | -2.4 | 112 | A314 E315 T316 I321 E322 | A314-R318 WeakPolarHBondContact O-CD 3.28Å; A314-R318 WeakPolarHBondContact O-CG 3.26Å; A314-R318 PolarHBondContact O-NE 3.12Å; A314-R318 VanDerWaalsContact O-NE 3.17Å; E315-R318 WeakPolarHBondContact O-CB 3.43Å; E315-R318 PolarHBondContact O-N 2.73Å; T316-R318 VanDerWaalsContact C-N 3.28Å; T316-R318 PolarHBondContact O-N 3.16Å; R318-I321 PolarHBondContact O-N 2.99Å; R318-E322 WeakPolarHBondContact O-CB 3.38Å; R318-E322 PolarHBondContact O-N 2.89Å |
| 319 | R | 90.1 | Very high | 82.3 | Confident | 116 Ų | 116 | 104.7 Ų | 104.7 | 44% | 0.438 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 174.8 | -70 | 170.9 | 179.2 | 117.4 | 2.7 | 111.9 | E315 T316 E322 L323 | E315-R319 VanDerWaalsContact CD-NH1 3.29Å; E315-R319 WeakPolarHBondContact O-CG 3.45Å; E315-R319 PolarHBondContact O-N 3.25Å; E315-R319 IonicContact OE1-CZ 3.12Å; E315-R319 IonicContact OE1-NH2 3Å; E315-R319 PolarHBondContact OE1-NH2 3.13Å; E315-R319 IonicContact OE2-CZ 2.63Å; E315-R319 IonicContact OE2-NH1 2.76Å; E315-R319 PolarHBondContact OE2-NH1 3Å; E315-R319 IonicContact OE2-NH2 3.87Å; E315-R319 PolarHBondContact OE2-NH2 3.35Å; T316-R319 WeakPolarHBondContact O-CB 3.38Å; T316-R319 PolarHBondContact O-N 3.18Å; T316-R319 VanDerWaalsContact O-N 3.11Å; R319-E322 PolarHBondContact O-N 3.32Å; R319-L323 WeakPolarHBondContact O-CB 3.48Å; R319-L323 WeakPolarHBondContact O-CG 3.15Å; R319-L323 PolarHBondContact O-N 3.45Å |
| 320 | E | 89.9 | Confident | 83.7 | Confident | 106 Ų | 106 | 99.8 Ų | 99.8 | 50% | 0.495 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 175.1 | -173.4 | -175.4 | -172.6 | 0 | 0 | 111 | T316 Q317 E322 L323 L324 | T316-E320 PolarHBondContact O-N 2.94Å; Q317-E320 PolarHBondContact O-N 3.45Å; E320-E322 VanDerWaalsContact C-N 3.29Å; E320-E322 PolarHBondContact O-N 2.73Å; E320-L323 PolarHBondContact O-N 2.76Å; E320-L324 HydrophobicContact CG-CD1 4.04Å; E320-L324 HydrophobicContact CG-CG 4.46Å; E320-L324 WeakPolarHBondContact O-CB 3.32Å; E320-L324 WeakPolarHBondContact O-CG 3.34Å; E320-L324 PolarHBondContact O-N 2.63Å |
| 321 | I | 89.3 | Confident | 84.9 | Confident | 88 Ų | 88 | 95.5 Ų | 95.5 | 45% | 0.451 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.7 | -39 | 176.7 | -68.1 | 164.7 | 0 | 0 | 0 | 111.4 | Q317 R318 R325 | Q317-I321 HydrophobicContact CG-CD1 4.22Å; Q317-I321 WeakPolarHBondContact O-CD1 3.18Å; Q317-I321 VanDerWaalsContact O-CG1 3.28Å; Q317-I321 WeakPolarHBondContact O-CG1 3.43Å; Q317-I321 PolarHBondContact O-N 2.82Å; R318-I321 PolarHBondContact O-N 2.99Å; I321-R325 WeakPolarHBondContact O-CB 3.47Å; I321-R325 WeakPolarHBondContact O-CG 3.44Å; I321-R325 PolarHBondContact O-N 3.18Å |
| 322 | E | 93.1 | Very high | 86 | Confident | 134 Ų | 134 | 98.6 Ų | 98.6 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -70.6 | -37.5 | 177 | -170.5 | 157.7 | -120.4 | 0 | 0 | 112.6 | R318 R319 E320 R325 H326 | R318-E322 WeakPolarHBondContact O-CB 3.38Å; R318-E322 PolarHBondContact O-N 2.89Å; R319-E322 PolarHBondContact O-N 3.32Å; E320-E322 VanDerWaalsContact C-N 3.29Å; E320-E322 PolarHBondContact O-N 2.73Å; E322-R325 PolarHBondContact O-N 2.71Å; E322-H326 WeakPolarHBondContact O-CB 3.39Å; E322-H326 PolarHBondContact O-N 3.45Å |
| 323 | L | 91.6 | Very high | 87.2 | Confident | 124 Ų | 124 | 101.9 Ų | 101.9 | 65% | 0.649 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.1 | -48.2 | 171.6 | -82.3 | 162.3 | 0 | 0 | 0 | 112 | R319 E320 R325 H326 E327 | R319-L323 WeakPolarHBondContact O-CB 3.48Å; R319-L323 WeakPolarHBondContact O-CG 3.15Å; R319-L323 PolarHBondContact O-N 3.45Å; E320-L323 PolarHBondContact O-N 2.76Å; L323-R325 VanDerWaalsContact C-N 3.3Å; L323-R325 PolarHBondContact O-N 2.85Å; L323-H326 PolarHBondContact O-N 2.84Å; L323-E327 WeakPolarHBondContact O-CB 3.25Å; L323-E327 PolarHBondContact O-N 3.12Å |
| 324 | L | 88.3 | Confident | 87.5 | Confident | 99 Ų | 99 | 103.5 Ų | 103.5 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -36.1 | 178.2 | -71.4 | 171.2 | 0 | 0 | 0 | 112 | E320 G328 | E320-L324 HydrophobicContact CG-CD1 4.04Å; E320-L324 HydrophobicContact CG-CG 4.46Å; E320-L324 WeakPolarHBondContact O-CB 3.32Å; E320-L324 WeakPolarHBondContact O-CG 3.34Å; E320-L324 PolarHBondContact O-N 2.63Å; L324-G328 PolarHBondContact O-N 2.82Å |
| 325 | R | 89.1 | Confident | 87.7 | Confident | 143 Ų | 143 | 103.4 Ų | 103.4 | 54% | 0.54 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.3 | -47.8 | 171.2 | -82.1 | -168.3 | 59.3 | -131.1 | -20.6 | 112 | I321 E322 L323 E327 G328 E329 | I321-R325 WeakPolarHBondContact O-CB 3.47Å; I321-R325 WeakPolarHBondContact O-CG 3.44Å; I321-R325 PolarHBondContact O-N 3.18Å; E322-R325 PolarHBondContact O-N 2.71Å; L323-R325 VanDerWaalsContact C-N 3.3Å; L323-R325 PolarHBondContact O-N 2.85Å; R325-E327 VanDerWaalsContact C-N 3.3Å; R325-E327 PolarHBondContact O-N 3.36Å; R325-G328 CarbonylContact O-C 3.52Å; R325-G328 PolarHBondContact O-N 3.29Å; R325-E329 IonicContact CZ-OE1 3.21Å; R325-E329 IonicContact NE-OE1 3.16Å; R325-E329 IonicContact NH2-OE1 2.63Å; R325-E329 PolarHBondContact NH2-OE1 3.45Å; R325-E329 WeakPolarHBondContact O-CG 3.21Å; R325-E329 PolarHBondContact O-N 2.87Å |
| 326 | H | 88.4 | Confident | 87.6 | Confident | 117 Ų | 117 | 101.7 Ų | 101.7 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 177.5 | -172.3 | -54.7 | 0 | 0 | 0 | 111.5 | E322 L323 E329 L330 | E322-H326 WeakPolarHBondContact O-CB 3.39Å; E322-H326 PolarHBondContact O-N 3.45Å; L323-H326 PolarHBondContact O-N 2.84Å; H326-E329 CarbonylContact O-C 3.52Å; H326-E329 PolarHBondContact O-N 2.89Å; H326-L330 WeakPolarHBondContact O-CG 3.29Å; H326-L330 PolarHBondContact O-N 3.38Å |
| 327 | E | 87.2 | Confident | 87.5 | Confident | 95 Ų | 95 | 108.2 Ų | 108.2 | 44% | 0.444 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 174.6 | -173.5 | 174.3 | -174.4 | 0 | 0 | 111.8 | L323 R325 E329 L330 L335 | L323-E327 WeakPolarHBondContact O-CB 3.25Å; L323-E327 PolarHBondContact O-N 3.12Å; R325-E327 VanDerWaalsContact C-N 3.3Å; R325-E327 PolarHBondContact O-N 3.36Å; E327-E329 PolarHBondContact O-N 3.15Å; E327-L330 WeakPolarHBondContact O-CB 3.39Å; E327-L330 PolarHBondContact O-N 3.02Å; E327-L335 HydrophobicContact CG-CD1 4.19Å; E327-L335 VanDerWaalsContact OE1-CD1 3.32Å; E327-L335 WeakPolarHBondContact OE1-CD1 3.42Å |
| 328 | G | 87.9 | Confident | 87.3 | Confident | 69 Ų | 69 | 108 Ų | 108 | 71% | 0.711 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67 | -17.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L324 R325 | L324-G328 PolarHBondContact O-N 2.82Å; R325-G328 CarbonylContact O-C 3.52Å; R325-G328 PolarHBondContact O-N 3.29Å |
| 329 | E | 88.7 | Confident | 86.9 | Confident | 133 Ų | 133 | 102.8 Ų | 102.8 | 62% | 0.621 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -2.4 | 175.1 | -69.3 | 170.4 | -150.5 | 0 | 0 | 112.5 | R325 H326 E327 | R325-E329 IonicContact CZ-OE1 3.21Å; R325-E329 IonicContact NE-OE1 3.16Å; R325-E329 IonicContact NH2-OE1 2.63Å; R325-E329 PolarHBondContact NH2-OE1 3.45Å; R325-E329 WeakPolarHBondContact O-CG 3.21Å; R325-E329 PolarHBondContact O-N 2.87Å; H326-E329 CarbonylContact O-C 3.52Å; H326-E329 PolarHBondContact O-N 2.89Å; E327-E329 PolarHBondContact O-N 3.15Å |
| 330 | L | 86.4 | Confident | 86.5 | Confident | 61 Ų | 61 | 100.2 Ų | 100.2 | 32% | 0.319 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -78.6 | 145.8 | 175.9 | -73.7 | 179.9 | 0 | 0 | 0 | 113 | H326 E327 E334 | H326-L330 WeakPolarHBondContact O-CG 3.29Å; H326-L330 PolarHBondContact O-N 3.38Å; E327-L330 WeakPolarHBondContact O-CB 3.39Å; E327-L330 PolarHBondContact O-N 3.02Å; L330-E334 HydrophobicContact CD1-CG 4.09Å; L330-E334 HydrophobicContact CD2-CG 4.12Å |
| 331 | P | 86.4 | Confident | 85.6 | Confident | 72 Ų | 72 | 100.2 Ų | 100.2 | 47% | 0.468 | 52% | 0.52 | S | S | . | . | trans | -68.4 | 148.4 | 170.7 | 29.7 | -33.6 | 0 | 0 | 0 | 111.3 | E333 E334 L335 | P331-E333 PolarHBondContact O-N 3.45Å; P331-E333 VanDerWaalsContact O-N 3.13Å; P331-E334 HydrophobicContact CG-CB 4.03Å; P331-E334 VanDerWaalsContact O-CB 3.32Å; P331-E334 WeakPolarHBondContact O-CB 3.44Å; P331-E334 PolarHBondContact O-N 3.37Å; P331-L335 PolarHBondContact O-N 2.85Å | ||
| 332 | L | 83.3 | Confident | 84.7 | Confident | 109 Ų | 109 | 103.9 Ų | 103.9 | 57% | 0.571 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.6 | -30.9 | -172.6 | -175.9 | 59.8 | 0 | 0 | 0 | 112.9 | E334 L335 L336 | L332-E334 VanDerWaalsContact C-N 3.3Å; L332-E334 PolarHBondContact O-N 2.84Å; L332-L335 PolarHBondContact O-N 3.03Å; L332-L336 HydrophobicContact CD1-CG 4.41Å; L332-L336 HydrophobicContact CG-CD1 4.04Å; L332-L336 HydrophobicContact CG-CG 4.39Å; L332-L336 WeakPolarHBondContact O-CB 3.45Å; L332-L336 VanDerWaalsContact O-CG 3.27Å; L332-L336 WeakPolarHBondContact O-CG 3.19Å; L332-L336 PolarHBondContact O-N 3.37Å |
| 333 | E | 86.2 | Confident | 83.3 | Confident | 141 Ų | 141 | 103.7 Ų | 103.7 | 66% | 0.659 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.3 | -30.4 | 176.2 | -64 | 70.5 | -156.8 | 0 | 0 | 112.9 | P331 R337 | P331-E333 PolarHBondContact O-N 3.45Å; P331-E333 VanDerWaalsContact O-N 3.13Å; E333-R337 WeakPolarHBondContact O-CB 3.3Å; E333-R337 PolarHBondContact O-N 3.1Å |
| 334 | E | 87 | Confident | 81.9 | Confident | 71 Ų | 71 | 102.2 Ų | 102.2 | 33% | 0.332 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -75.8 | -43.2 | 175.8 | -167.4 | 84.3 | -95 | 0 | 0 | 110.4 | L330 P331 L332 R337 S338 | L330-E334 HydrophobicContact CD1-CG 4.09Å; L330-E334 HydrophobicContact CD2-CG 4.12Å; P331-E334 HydrophobicContact CG-CB 4.03Å; P331-E334 VanDerWaalsContact O-CB 3.32Å; P331-E334 WeakPolarHBondContact O-CB 3.44Å; P331-E334 PolarHBondContact O-N 3.37Å; L332-E334 VanDerWaalsContact C-N 3.3Å; L332-E334 PolarHBondContact O-N 2.84Å; E334-R337 WeakPolarHBondContact O-CA 3.38Å; E334-R337 WeakPolarHBondContact O-CB 3.25Å; E334-R337 PolarHBondContact O-N 2.74Å; E334-R337 IonicContact OE1-CZ 3.64Å; E334-R337 IonicContact OE1-NE 3.85Å; E334-R337 PolarHBondContact OE1-NE 3.43Å; E334-R337 IonicContact OE1-NH2 2.87Å; E334-R337 PolarHBondContact OE1-NH2 3.27Å; E334-S338 PolarHBondContact O-N 2.94Å; E334-S338 VanDerWaalsContact O-N 3.08Å |
| 335 | L | 82.6 | Confident | 80.3 | Confident | 53 Ų | 53 | 100.2 Ų | 100.2 | 28% | 0.277 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 177.2 | -174.2 | 62.1 | 0 | 0 | 0 | 112.2 | E327 P331 L332 R337 S338 L339 | E327-L335 HydrophobicContact CG-CD1 4.19Å; E327-L335 VanDerWaalsContact OE1-CD1 3.32Å; E327-L335 WeakPolarHBondContact OE1-CD1 3.42Å; P331-L335 PolarHBondContact O-N 2.85Å; L332-L335 PolarHBondContact O-N 3.03Å; L335-R337 PolarHBondContact O-N 2.97Å; L335-S338 PolarHBondContact O-N 3.32Å; L335-S338 PolarHBondContact O-OG 2.89Å; L335-L339 WeakPolarHBondContact O-CG 3.37Å; L335-L339 PolarHBondContact O-N 2.86Å |
| 336 | L | 80.9 | Confident | 78.2 | Confident | 78 Ų | 78 | 96 Ų | 96 | 41% | 0.408 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.7 | -21.3 | 171.3 | -74 | 171.3 | 0 | 0 | 0 | 112.9 | L332 L344 | L332-L336 HydrophobicContact CD1-CG 4.41Å; L332-L336 HydrophobicContact CG-CD1 4.04Å; L332-L336 HydrophobicContact CG-CG 4.39Å; L332-L336 WeakPolarHBondContact O-CB 3.45Å; L332-L336 VanDerWaalsContact O-CG 3.27Å; L332-L336 WeakPolarHBondContact O-CG 3.19Å; L332-L336 PolarHBondContact O-N 3.37Å; L336-L344 HydrophobicContact CB-CD2 4.36Å; L336-L344 HydrophobicContact CD2-CD1 4.39Å; L336-L344 HydrophobicContact CD2-CD2 4.46Å; L336-L344 HydrophobicContact CD2-CG 4.49Å; L336-L344 VanDerWaalsContact O-CD2 3.27Å; L336-L344 WeakPolarHBondContact O-CD2 3.45Å |
| 337 | R | 85.8 | Confident | 76.2 | Confident | 191 Ų | 191 | 96.5 Ų | 96.5 | 72% | 0.721 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -88.2 | -24.6 | 178.9 | -171.2 | 175.1 | 79.6 | 116.8 | -4.6 | 113.4 | E333 E334 L335 | E333-R337 WeakPolarHBondContact O-CB 3.3Å; E333-R337 PolarHBondContact O-N 3.1Å; E334-R337 WeakPolarHBondContact O-CA 3.38Å; E334-R337 WeakPolarHBondContact O-CB 3.25Å; E334-R337 PolarHBondContact O-N 2.74Å; E334-R337 IonicContact OE1-CZ 3.64Å; E334-R337 IonicContact OE1-NE 3.85Å; E334-R337 PolarHBondContact OE1-NE 3.43Å; E334-R337 IonicContact OE1-NH2 2.87Å; E334-R337 PolarHBondContact OE1-NH2 3.27Å; L335-R337 PolarHBondContact O-N 2.97Å |
| 338 | S | 81.3 | Confident | 74.3 | Confident | 85 Ų | 85 | 101.4 Ų | 101.4 | 59% | 0.594 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -81.7 | -27.4 | 174.8 | 64.8 | 0 | 0 | 0 | 0 | 113 | E334 L335 | E334-S338 PolarHBondContact O-N 2.94Å; E334-S338 VanDerWaalsContact O-N 3.08Å; L335-S338 PolarHBondContact O-N 3.32Å; L335-S338 PolarHBondContact O-OG 2.89Å |
| 339 | L | 81.8 | Confident | 71.9 | Confident | 73 Ų | 73 | 103.7 Ų | 103.7 | 38% | 0.382 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -66.3 | 142.3 | 179.8 | -75.9 | 167.2 | 0 | 0 | 0 | 113.1 | L335 L344 | L335-L339 WeakPolarHBondContact O-CG 3.37Å; L335-L339 PolarHBondContact O-N 2.86Å; L339-L344 HydrophobicContact CB-CD1 3.88Å; L339-L344 HydrophobicContact CD1-CD1 4.49Å |
| 340 | P | 80.8 | Confident | 70.1 | Confident | 63 Ų | 63 | 103.2 Ų | 103.2 | 41% | 0.409 | 58% | 0.582 | S | S | . | * | trans | -55.4 | 134 | 178.4 | -28.4 | 35.1 | 0 | 0 | 0 | 113.5 | Q342 L343 | P340-Q342 PolarHBondContact O-N 2.99Å; P340-L343 PolarHBondContact O-N 3.36Å | ||
| 341 | P | 71.5 | Confident | 67.5 | Low | 105 Ų | 105 | 106.2 Ų | 106.2 | 68% | 0.682 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -57.4 | -20.9 | -178 | -29.1 | 35.9 | 0 | 0 | 0 | 115.6 | L343 G345 | P341-L343 PolarHBondContact O-N 3.4Å; P341-G345 PolarHBondContact O-N 3.3Å |
| 342 | Q | 71.1 | Confident | 65 | Low | 165 Ų | 165 | 111.8 Ų | 111.8 | 77% | 0.771 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.4 | -19.7 | 174.2 | -60.4 | 95.6 | 5.9 | 0 | 0 | 113.6 | P340 | P340-Q342 PolarHBondContact O-N 2.99Å |
| 343 | L | 62.4 | Low | 62.6 | Low | 131 Ų | 131 | 113.2 Ų | 113.2 | 69% | 0.686 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -89 | -29.5 | 177.6 | -61.4 | -179.5 | 0 | 0 | 0 | 112.7 | P340 P341 | P340-L343 PolarHBondContact O-N 3.36Å; P341-L343 PolarHBondContact O-N 3.4Å |
| 344 | L | 62.6 | Low | 60.1 | Low | 93 Ų | 93 | 112.3 Ų | 112.3 | 49% | 0.487 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -82.5 | -22.7 | 171.5 | -84.9 | 71.1 | 0 | 0 | 0 | 112.6 | L336 L339 G346 | L336-L344 HydrophobicContact CB-CD2 4.36Å; L336-L344 HydrophobicContact CD2-CD1 4.39Å; L336-L344 HydrophobicContact CD2-CD2 4.46Å; L336-L344 HydrophobicContact CD2-CG 4.49Å; L336-L344 VanDerWaalsContact O-CD2 3.27Å; L336-L344 WeakPolarHBondContact O-CD2 3.45Å; L339-L344 HydrophobicContact CB-CD1 3.88Å; L339-L344 HydrophobicContact CD1-CD1 4.49Å; L344-G346 VanDerWaalsContact C-N 3.31Å; L344-G346 PolarHBondContact O-N 3.13Å |
| 345 | G | 55 | Low | 57.5 | Low | 57 Ų | 57 | 114.4 Ų | 114.4 | 59% | 0.588 | 67% | 0.67 | S | S | * | * | trans | -80.2 | 44.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | P341 | P341-G345 PolarHBondContact O-N 3.3Š| ||
| 346 | G | 45.8 | Very low | 55 | Low | 53 Ų | 53 | 120 Ų | 120 | 55% | 0.546 | 69% | 0.694 | S | S | . | * | trans | -68.3 | 139.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L344 F348 | L344-G346 VanDerWaalsContact C-N 3.31Å; L344-G346 PolarHBondContact O-N 3.13Å; G346-F348 PolarHBondContact O-N 3.39Å | ||
| 347 | P | 45.5 | Very low | 52.8 | Low | 128 Ų | 128 | 122.1 Ų | 122.1 | 83% | 0.831 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -79.8 | 73.5 | -164.3 | 32.5 | -37.7 | 0 | 0 | 0 | 114.3 | ||
| 348 | F | 47.2 | Very low | 50.4 | Low | 199 Ų | 199 | 119 Ų | 119 | 87% | 0.873 | 71% | 0.713 | S | S | * | * | trans | -128.8 | 95.4 | 167 | -78.8 | -80 | 0 | 0 | 0 | 111.8 | G346 | G346-F348 PolarHBondContact O-N 3.39Š| ||
| 349 | S | 37 | Very low | 48.4 | Very low | 116 Ų | 116 | 122.1 Ų | 122.1 | 81% | 0.811 | 72% | 0.724 | S | S | * | * | trans | -155.5 | 146.5 | 156.9 | -87.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 350 | P | 52.6 | Low | 46.2 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | trans | -87.9 | 134 | -167.3 | 33.6 | -34.7 | 0 | 0 | 0 | 113.1 | ||||
| 351 | S | 30.3 | Very low | 44 | Very low | 123 Ų | 123 | 130 Ų | 130 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -105.9 | 127.4 | 173.8 | -70.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 352 | Q | 34.1 | Very low | 42.3 | Very low | 190 Ų | 190 | 131.6 Ų | 131.6 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -77 | 151.1 | -174.5 | -61.6 | 168.1 | 16.9 | 0 | 0 | 112.3 | P354 | Q352-P354 WeakPolarHBondContact O-CD 3.21Š|
| 353 | T | 33 | Very low | 40.4 | Very low | 138 Ų | 138 | 126.7 Ų | 126.7 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 127.1 | 178.1 | 50.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 354 | P | 34.9 | Very low | 39.6 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 134.5 | 160.3 | 33.8 | -29 | 0 | 0 | 0 | 111.8 | Q352 | Q352-P354 WeakPolarHBondContact O-CD 3.21Š|
| 355 | S | 31.1 | Very low | 38.3 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 149.7 | 176.8 | 53.1 | 0 | 0 | 0 | 0 | 116.6 | ||
| 356 | H | 31.4 | Very low | 37.3 | Very low | 170 Ų | 170 | 135 Ų | 135 | 79% | 0.787 | 79% | 0.787 | S | S | * | * | -163.4 | 142.7 | 113.8 | -165.4 | -80 | 0 | 0 | 0 | 112.8 | |||||
| 357 | D | 33.1 | Very low | 36.4 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 66% | 0.658 | 79% | 0.794 | S | S | * | * | trans | -51.1 | 149.2 | -178.8 | -65.6 | -87.7 | 0 | 0 | 0 | 118.4 | ||||
| 358 | S | 36.7 | Very low | 35.5 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | -156.6 | 122.5 | 124.3 | -74.6 | 0 | 0 | 0 | 0 | 111 | |||||
| 359 | D | 37.6 | Very low | 34.8 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | -74.3 | 143.1 | 178.6 | -122.9 | -35.6 | 0 | 0 | 0 | 112.6 | ||||
| 360 | T | 35.6 | Very low | 34.4 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | -179.9 | 128.1 | 128.5 | -71.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 361 | Q | 36.4 | Very low | 33.5 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | -69.4 | 142.3 | 176.5 | 166.1 | -169.2 | -15 | 0 | 0 | 114 | ||||
| 362 | D | 33.9 | Very low | 33.9 | Very low | 139 Ų | 139 | 141.2 Ų | 141.2 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | 172.3 | 155.2 | 101.5 | -151.7 | 35.7 | 0 | 0 | 0 | 114.6 | |||||
| 363 | G | 32.2 | Very low | 33.8 | Very low | 62 Ų | 62 | 137 Ų | 137 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | trans | 78.5 | 130.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 364 | P | 46.3 | Very low | 33.8 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | -123 | 164.9 | -173.2 | 45 | -34.8 | 0 | 0 | 0 | 116.5 | ||||
| 365 | E | 34.2 | Very low | 33.6 | Very low | 186 Ų | 186 | 138.5 Ų | 138.5 | 87% | 0.869 | 76% | 0.756 | S | S | * | * | trans | 64 | 147.5 | 157 | -66.1 | -166 | -162.5 | 0 | 0 | 120.7 | ||||
| 366 | E | 33.3 | Very low | 33.6 | Very low | 149 Ų | 149 | 140 Ų | 140 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | cis | -168.8 | 159.4 | -32.2 | -113.5 | -89.2 | 172.3 | 0 | 0 | 107.8 | ||||
| 367 | N | 27.1 | Very low | 33.7 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | trans | 45.2 | 120.3 | 156.4 | -127.5 | -73.6 | 0 | 0 | 0 | 122.7 | ||||
| 368 | I | 27.7 | Very low | 33.5 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | -170.4 | 138.5 | 125.9 | -106 | 165.6 | 0 | 0 | 0 | 112.6 | |||||
| 369 | E | 31.2 | Very low | 33.3 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | trans | 83.6 | 146.9 | 152.4 | -94.9 | 161.5 | -144.3 | 0 | 0 | 125.5 | ||||
| 370 | E | 29.5 | Very low | 33.7 | Very low | 177 Ų | 177 | 138.9 Ų | 138.9 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | trans | 80.4 | 99.9 | 157.4 | -60 | -79.4 | 87.2 | 0 | 0 | 122.7 | ||||
| 371 | E | 34.2 | Very low | 33.6 | Very low | 143 Ų | 143 | 138.5 Ų | 138.5 | 67% | 0.668 | 75% | 0.745 | S | S | * | * | trans | -42.2 | 161.8 | 139.7 | -96.3 | -75.4 | 138.6 | 0 | 0 | 113.8 | S373 | E371-S373 PolarHBondContact OE2-N 3.45Å; E371-S373 PolarHBondContact OE2-OG 3.35Å | ||
| 372 | P | 38.7 | Very low | 33.3 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | -158.7 | 118.1 | 74.8 | 38 | -13.6 | 0 | 0 | 0 | 120.3 | |||||
| 373 | S | 32.7 | Very low | 33.1 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | 53.9 | -164.6 | 141.4 | -61 | 0 | 0 | 0 | 0 | 117.9 | E371 | E371-S373 PolarHBondContact OE2-N 3.45Å; E371-S373 PolarHBondContact OE2-OG 3.35Å | ||
| 374 | Q | 31.7 | Very low | 33 | Very low | 172 Ų | 172 | 137 Ų | 137 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | cis | -145.1 | -176.2 | 1.1 | -43.2 | 175.8 | -127.8 | 0 | 0 | 108.4 | ||||
| 375 | D | 30.7 | Very low | 32.4 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | cis | -166.7 | 173 | -4.6 | -139 | -55.7 | 0 | 0 | 0 | 110.9 | ||||
| 376 | L | 32 | Very low | 32.4 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | 59.9 | 162.9 | 164.4 | -58.6 | 171.5 | 0 | 0 | 0 | 121.7 | ||||
| 377 | E | 32.1 | Very low | 32.9 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 65% | 0.654 | 77% | 0.766 | S | S | * | * | cis | -175.1 | 129 | -44.4 | -174.7 | -164.9 | 140.9 | 0 | 0 | 110.2 | H379 | E377-H379 IonicContact OE1-CD2 2.76Å; E377-H379 PolarHBondContact OE1-CD2 2.94Å; E377-H379 IonicContact OE1-NE2 3.08Å | ||
| 378 | V | 29.7 | Very low | 33.1 | Very low | 147 Ų | 147 | 136.5 Ų | 136.5 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | trans | -149 | 139.4 | 154.9 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 379 | H | 32.8 | Very low | 33.6 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 162.8 | -177.7 | -97.3 | -91.3 | 0 | 0 | 0 | 115.6 | E377 | E377-H379 IonicContact OE1-CD2 2.76Å; E377-H379 PolarHBondContact OE1-CD2 2.94Å; E377-H379 IonicContact OE1-NE2 3.08Å |
| 380 | P | 45.6 | Very low | 34.3 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 159.3 | -176.8 | 38.1 | -35.4 | 0 | 0 | 0 | 115.1 | ||
| 381 | P | 33 | Very low | 34.5 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 159.1 | 164.3 | 34.2 | -34.2 | 0 | 0 | 0 | 112 | ||
| 382 | S | 30.1 | Very low | 34.5 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -134.4 | -179.6 | -178.2 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 383 | S | 31.4 | Very low | 34.5 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 75.7 | 147.9 | -169 | 80.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 384 | A | 28.6 | Very low | 34.9 | Very low | 92 Ų | 92 | 148.8 Ų | 148.8 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | cis | -128 | 153.5 | 2.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 385 | V | 35.4 | Very low | 35.6 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | -92.9 | 114.3 | 177.6 | 176 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 386 | T | 34 | Very low | 36.2 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | -102.6 | 132 | 159.9 | -56.9 | 0 | 0 | 0 | 0 | 108.6 | C388 | T386-C388 PolarHBondContact O-N 3.05Å; T386-C388 VanDerWaalsContact O-N 3.08Å | ||
| 387 | Q | 42.3 | Very low | 37 | Very low | 181 Ų | 181 | 146.9 Ų | 146.9 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -72 | 103.5 | -173.9 | -66.7 | 175.9 | -6 | 0 | 0 | 111.1 | N389 | Q387-N389 PolarHBondContact O-N 3Š| ||
| 388 | C | 32.5 | Very low | 37.7 | Very low | 122 Ų | 122 | 147.2 Ų | 147.2 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -67.5 | 116.3 | 167.2 | -173.5 | 0 | 0 | 0 | 0 | 109.2 | T386 | T386-C388 PolarHBondContact O-N 3.05Å; T386-C388 VanDerWaalsContact O-N 3.08Å | ||
| 389 | N | 37.4 | Very low | 38.7 | Very low | 134 Ų | 134 | 148.3 Ų | 148.3 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | trans | -70.1 | 134.8 | -174.2 | -165.4 | 3.4 | 0 | 0 | 0 | 110.8 | Q387 Q391 | Q387-N389 PolarHBondContact O-N 3Å; N389-Q391 PolarHBondContact O-N 2.63Å | ||
| 390 | K | 45.3 | Very low | 39.6 | Very low | 202 Ų | 202 | 149.7 Ų | 149.7 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | trans | -80.6 | 63.8 | -177 | -73.1 | -175.5 | 177.4 | 177.3 | 0 | 112 | R392 | K390-R392 PolarHBondContact O-N 2.75Š| ||
| 391 | Q | 34 | Very low | 39.8 | Very low | 162 Ų | 162 | 153.3 Ų | 153.3 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | trans | -72.9 | 108.2 | 163 | -80 | -178.8 | -45.9 | 0 | 0 | 109.3 | N389 W393 | N389-Q391 PolarHBondContact O-N 2.63Å; Q391-W393 PolarHBondContact O-N 2.73Å | ||
| 392 | R | 34.6 | Very low | 40.1 | Very low | 241 Ų | 241 | 156.4 Ų | 156.4 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -72.7 | 111.1 | 168.1 | 171.8 | -179.9 | 174.8 | 178.3 | -3.2 | 107.1 | K390 H394 | K390-R392 PolarHBondContact O-N 2.75Å; R392-H394 PolarHBondContact O-N 3.27Å; R392-H394 VanDerWaalsContact O-N 3.14Å | ||
| 393 | W | 38.1 | Very low | 40.8 | Very low | 236 Ų | 236 | 156.6 Ų | 156.6 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | trans | -53.5 | 118.5 | 173.5 | -64.9 | 92.5 | 0 | 0 | 0 | 110.3 | Q391 | Q391-W393 PolarHBondContact O-N 2.73Š| ||
| 394 | H | 40.7 | Very low | 41.4 | Very low | 130 Ų | 130 | 154.3 Ų | 154.3 | 60% | 0.602 | 79% | 0.789 | S | S | * | * | trans | -82.5 | 150.6 | 161 | -152.3 | -96.7 | 0 | 0 | 0 | 107.3 | R392 D396 | R392-H394 PolarHBondContact O-N 3.27Å; R392-H394 VanDerWaalsContact O-N 3.14Å; H394-D396 IonicContact ND1-OD1 3.87Å; H394-D396 PolarHBondContact O-N 2.97Å | ||
| 395 | P | 47.9 | Very low | 41.9 | Very low | 108 Ų | 108 | 156 Ų | 156 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -74.1 | 105 | 152.4 | 2.4 | 16.6 | 0 | 0 | 0 | 105.9 | ||||
| 396 | D | 43.1 | Very low | 42.8 | Very low | 113 Ų | 113 | 158.1 Ų | 158.1 | 60% | 0.604 | 79% | 0.786 | S | S | * | * | trans | -74.9 | 138.1 | 172.4 | -58.8 | -46.9 | 0 | 0 | 0 | 108.2 | H394 D398 | H394-D396 IonicContact ND1-OD1 3.87Å; H394-D396 PolarHBondContact O-N 2.97Å; D396-D398 PolarHBondContact O-N 2.84Å | ||
| 397 | E | 49.1 | Very low | 43.8 | Very low | 177 Ų | 177 | 158.5 Ų | 158.5 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -87.3 | 22.1 | -166.6 | -61.9 | -179.9 | 131.6 | 0 | 0 | 112.6 | D399 | E397-D399 PolarHBondContact O-N 3.46Š| ||
| 398 | D | 46.9 | Very low | 44.1 | Very low | 147 Ų | 147 | 158.6 Ų | 158.6 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -80.6 | 49.1 | -173.9 | -57.5 | -41.6 | 0 | 0 | 0 | 112.9 | D396 | D396-D398 PolarHBondContact O-N 2.84Š| ||
| 399 | D | 49.3 | Very low | 45.3 | Very low | 170 Ų | 170 | 162 Ų | 162 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | -93.6 | 10.3 | 173.5 | -108.6 | -12.4 | 0 | 0 | 0 | 112 | E397 | E397-D399 PolarHBondContact O-N 3.46Š| ||
| 400 | E | 52.2 | Low | 45.9 | Very low | 183 Ų | 183 | 162.1 Ų | 162.1 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -108.5 | 8.4 | -172.8 | -66.3 | -156.9 | 160.9 | 0 | 0 | 116.4 | ||||
| 401 | E | 50.9 | Low | 46.3 | Very low | 182 Ų | 182 | 160 Ų | 160 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -108 | 61.8 | 175.3 | -157.6 | 170.2 | -144.9 | 0 | 0 | 113.6 | ||||
| 402 | F | 39.2 | Very low | 47.1 | Very low | 196 Ų | 196 | 159.4 Ų | 159.4 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -131.4 | 62.9 | 154.8 | -154.7 | -87.8 | 0 | 0 | 0 | 110.5 | A404 | F402-A404 PolarHBondContact O-N 3.43Å; F402-A404 VanDerWaalsContact O-N 3.1Å | ||
| 403 | T | 44.8 | Very low | 48.2 | Very low | 121 Ų | 121 | 155.1 Ų | 155.1 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | -67.8 | 104.4 | 167 | 50.9 | 0 | 0 | 0 | 0 | 108.8 | N405 | T403-N405 PolarHBondContact O-N 3.32Š| ||
| 404 | A | 42.8 | Very low | 49.2 | Very low | 71 Ų | 71 | 148.2 Ų | 148.2 | 59% | 0.587 | 76% | 0.758 | S | S | * | * | trans | -57.8 | 122 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109 | F402 E406 | F402-A404 PolarHBondContact O-N 3.43Å; F402-A404 VanDerWaalsContact O-N 3.1Å; A404-E406 PolarHBondContact O-N 2.97Å | ||
| 405 | N | 39.9 | Very low | 50.1 | Low | 129 Ų | 129 | 147.9 Ų | 147.9 | 69% | 0.69 | 76% | 0.759 | S | S | * | * | trans | -90.9 | 90.3 | 177.8 | -169.5 | 88.9 | 0 | 0 | 0 | 107.7 | T403 D407 | T403-N405 PolarHBondContact O-N 3.32Å; N405-D407 PolarHBondContact O-N 2.89Å | ||
| 406 | E | 54.2 | Low | 50.8 | Low | 182 Ų | 182 | 145 Ų | 145 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | trans | -69.6 | 30.3 | -169 | -57.2 | -174.9 | 136.5 | 0 | 0 | 115.1 | A404 | A404-E406 PolarHBondContact O-N 2.97Š| ||
| 407 | D | 54 | Low | 51.7 | Low | 142 Ų | 142 | 142.5 Ų | 142.5 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | trans | -130 | 39 | -175.2 | -72.2 | -57 | 0 | 0 | 0 | 112.3 | N405 | N405-D407 PolarHBondContact O-N 2.89Š| ||
| 408 | E | 50.3 | Low | 52.3 | Low | 183 Ų | 183 | 140.8 Ų | 140.8 | 86% | 0.855 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -103.1 | 121.7 | 156.2 | -72.7 | -168.8 | 147.4 | 0 | 0 | 108 | D410 | E408-D410 PolarHBondContact O-N 3.45Š|
| 409 | E | 55.9 | Low | 53.3 | Low | 194 Ų | 194 | 141.1 Ų | 141.1 | 91% | 0.907 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 123.2 | -175.9 | -64.6 | -179 | 134.5 | 0 | 0 | 110.2 | E411 | E409-E411 PolarHBondContact O-N 3.12Š|
| 410 | D | 51.4 | Low | 54.1 | Low | 136 Ų | 136 | 140.9 Ų | 140.9 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 117.6 | -173 | -162.7 | -7.1 | 0 | 0 | 0 | 112 | E408 E412 | E408-D410 PolarHBondContact O-N 3.45Å; D410-E412 PolarHBondContact O-N 3.42Å |
| 411 | E | 53.3 | Low | 54.4 | Low | 157 Ų | 157 | 139.5 Ų | 139.5 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | trans | -81.3 | 58.9 | 178 | -66.3 | -169 | 165.2 | 0 | 0 | 111.2 | E409 D413 T414 | E409-E411 PolarHBondContact O-N 3.12Å; E411-D413 PolarHBondContact O-N 3.12Å; E411-T414 PolarHBondContact O-N 3.25Å; E411-T414 PolarHBondContact O-OG1 2.86Å | ||
| 412 | E | 51.2 | Low | 54.8 | Low | 149 Ų | 149 | 138.5 Ų | 138.5 | 70% | 0.696 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -49.8 | -28.2 | -178.9 | -76.6 | -167.1 | 132.4 | 0 | 0 | 113.6 | D410 T414 I415 | D410-E412 PolarHBondContact O-N 3.42Å; E412-T414 PolarHBondContact O-N 3.4Å; E412-I415 PolarHBondContact O-N 2.93Å |
| 413 | D | 57.3 | Low | 55.6 | Low | 152 Ų | 152 | 131.8 Ų | 131.8 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -54.8 | -22.8 | 176.9 | -87.3 | -23.5 | 0 | 0 | 0 | 113.5 | E411 | E411-D413 PolarHBondContact O-N 3.12Š|
| 414 | T | 60 | Low | 56.5 | Low | 90 Ų | 90 | 135.4 Ų | 135.4 | 55% | 0.552 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -69.6 | -41.2 | -177.5 | -49.1 | 0 | 0 | 0 | 0 | 112.4 | E411 E412 A417 | E411-T414 PolarHBondContact O-N 3.25Å; E411-T414 PolarHBondContact O-OG1 2.86Å; E412-T414 PolarHBondContact O-N 3.4Å; T414-A417 PolarHBondContact O-N 3.16Å |
| 415 | I | 57.7 | Low | 57.7 | Low | 123 Ų | 123 | 135.6 Ų | 135.6 | 63% | 0.631 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -72.5 | -41.8 | -170.7 | -49.5 | 175.6 | 0 | 0 | 0 | 110.5 | E412 A417 E418 E419 | E412-I415 PolarHBondContact O-N 2.93Å; I415-A417 PolarHBondContact O-N 2.87Å; I415-A417 VanDerWaalsContact O-N 3.17Å; I415-E418 PolarHBondContact O-N 3.07Å; I415-E418 VanDerWaalsContact O-N 3.12Å; I415-E419 PolarHBondContact O-N 3.32Å |
| 416 | A | 64.6 | Low | 59.1 | Low | 47 Ų | 47 | 133.7 Ų | 133.7 | 39% | 0.388 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -65.9 | -16.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q420 | A416-Q420 PolarHBondContact O-NE2 3.18Å |
| 417 | A | 60.7 | Low | 60.2 | Low | 61 Ų | 61 | 130.9 Ų | 130.9 | 50% | 0.504 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -82.5 | -30.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T414 I415 | T414-A417 PolarHBondContact O-N 3.16Å; I415-A417 PolarHBondContact O-N 2.87Å; I415-A417 VanDerWaalsContact O-N 3.17Å |
| 418 | E | 61.8 | Low | 61.5 | Low | 141 Ų | 141 | 126.9 Ų | 126.9 | 66% | 0.659 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -78.3 | -41.4 | 179.3 | -163.4 | 159.7 | -139.6 | 0 | 0 | 111.1 | I415 Q420 L421 E422 | I415-E418 PolarHBondContact O-N 3.07Å; I415-E418 VanDerWaalsContact O-N 3.12Å; E418-Q420 PolarHBondContact O-N 3.37Å; E418-L421 WeakPolarHBondContact O-CA 3.26Å; E418-L421 WeakPolarHBondContact O-CB 3.49Å; E418-L421 PolarHBondContact O-N 3.06Å; E418-E422 PolarHBondContact O-N 2.89Å |
| 419 | E | 67.6 | Low | 62.9 | Low | 155 Ų | 155 | 124.1 Ų | 124.1 | 72% | 0.724 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -59.2 | -30.2 | 172.7 | -172.3 | -179.8 | -154 | 0 | 0 | 112.8 | I415 L421 | I415-E419 PolarHBondContact O-N 3.32Å; E419-L421 VanDerWaalsContact C-N 3.33Å |
| 420 | Q | 66.9 | Low | 64.1 | Low | 165 Ų | 165 | 119.7 Ų | 119.7 | 77% | 0.771 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -13.1 | 174.3 | -79.2 | 176 | 85.2 | 0 | 0 | 114 | A416 E418 | A416-Q420 PolarHBondContact O-NE2 3.18Å; E418-Q420 PolarHBondContact O-N 3.37Å |
| 421 | L | 57.3 | Low | 65.6 | Low | 153 Ų | 153 | 119 Ų | 119 | 80% | 0.801 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -36.2 | 177.9 | -167.9 | 69.4 | 0 | 0 | 0 | 111.9 | E418 E419 G423 | E418-L421 WeakPolarHBondContact O-CA 3.26Å; E418-L421 WeakPolarHBondContact O-CB 3.49Å; E418-L421 PolarHBondContact O-N 3.06Å; E419-L421 VanDerWaalsContact C-N 3.33Å; L421-G423 PolarHBondContact O-N 2.92Å |
| 422 | E | 59.3 | Low | 67 | Low | 161 Ų | 161 | 115.3 Ų | 115.3 | 75% | 0.752 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -79.8 | 46 | 178.8 | -158.6 | 170.8 | -124.2 | 0 | 0 | 112.5 | E418 E424 | E418-E422 PolarHBondContact O-N 2.89Å; E422-E424 PolarHBondContact O-N 2.9Å |
| 423 | G | 57.9 | Low | 68.6 | Low | 56 Ų | 56 | 113 Ų | 113 | 58% | 0.577 | 61% | 0.61 | S | S | * | * | trans | -59 | 127.3 | -163.7 | 0 | 0 | 0 | 0 | 0 | 116 | L421 V425 | L421-G423 PolarHBondContact O-N 2.92Å; G423-V425 PolarHBondContact O-N 3.2Å; G423-V425 VanDerWaalsContact O-N 3.15Å | ||
| 424 | E | 62.1 | Low | 69.7 | Low | 197 Ų | 197 | 111 Ų | 111 | 92% | 0.921 | 60% | 0.599 | S | S | * | * | trans | 3.3 | 83.6 | 174.7 | -162 | 170.3 | -152.1 | 0 | 0 | 116.1 | E422 D426 | E422-E424 PolarHBondContact O-N 2.9Å; E424-D426 PolarHBondContact O-N 3.37Å | ||
| 425 | V | 68.4 | Low | 70.7 | Confident | 74 Ų | 74 | 109.5 Ų | 109.5 | 45% | 0.448 | 60% | 0.596 | S | S | . | * | trans | -67 | 119 | 172.9 | 178.9 | 0 | 0 | 0 | 0 | 109.7 | G423 H427 E430 | G423-V425 PolarHBondContact O-N 3.2Å; G423-V425 VanDerWaalsContact O-N 3.15Å; V425-H427 PolarHBondContact O-N 3.35Å; V425-E430 HydrophobicContact CG1-CG 4.18Å | ||
| 426 | D | 70.3 | Confident | 71.8 | Confident | 89 Ų | 89 | 109.9 Ų | 109.9 | 48% | 0.476 | 59% | 0.589 | S | S | . | * | trans | -72 | 90.5 | 175.2 | -177.7 | 4.5 | 0 | 0 | 0 | 110.8 | E424 A428 M429 E430 | E424-D426 PolarHBondContact O-N 3.37Å; D426-A428 PolarHBondContact O-N 3.25Å; D426-A428 VanDerWaalsContact OD1-CB 3.24Å; D426-A428 WeakPolarHBondContact OD1-CB 3.41Å; D426-A428 PolarHBondContact OD1-N 2.87Å; D426-M429 HydrophobicContact CB-CB 4.2Å; D426-M429 HydrophobicContact CB-CE 4.37Å; D426-M429 WeakPolarHBondContact O-CA 3.21Å; D426-M429 WeakPolarHBondContact O-CB 3.3Å; D426-M429 PolarHBondContact O-N 2.91Å; D426-E430 PolarHBondContact O-N 3.08Å | ||
| 427 | H | 75.9 | Confident | 72.5 | Confident | 123 Ų | 123 | 112.1 Ų | 112.1 | 57% | 0.569 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -57.4 | -20.1 | 176.4 | -57.5 | -52.3 | 0 | 0 | 0 | 113.8 | V425 M429 E430 L431 | V425-H427 PolarHBondContact O-N 3.35Å; H427-M429 VanDerWaalsContact C-N 3.3Å; H427-E430 IonicContact CE1-OE2 3.8Å; H427-E430 IonicContact CG-OE2 3.74Å; H427-E430 IonicContact ND1-OE2 2.81Å; H427-E430 PolarHBondContact ND1-OE2 3.5Å; H427-L431 WeakPolarHBondContact O-CB 3.36Å; H427-L431 VanDerWaalsContact O-CG 3.27Å; H427-L431 WeakPolarHBondContact O-CG 3.27Å; H427-L431 PolarHBondContact O-N 2.87Å; H427-L431 VanDerWaalsContact O-N 3.08Å |
| 428 | A | 81.9 | Confident | 73.1 | Confident | 59 Ų | 59 | 110.9 Ų | 110.9 | 49% | 0.488 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72.4 | -27 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D426 S432 | D426-A428 PolarHBondContact O-N 3.25Å; D426-A428 VanDerWaalsContact OD1-CB 3.24Å; D426-A428 WeakPolarHBondContact OD1-CB 3.41Å; D426-A428 PolarHBondContact OD1-N 2.87Å; A428-S432 WeakPolarHBondContact O-CB 3.41Å; A428-S432 PolarHBondContact O-N 3.07Å; A428-S432 VanDerWaalsContact O-N 3.14Å; A428-S432 PolarHBondContact O-OG 2.95Å |
| 429 | M | 79 | Confident | 73.5 | Confident | 125 Ų | 125 | 109.2 Ų | 109.2 | 62% | 0.616 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -72.1 | -46.3 | 172 | -160.3 | 177.3 | -52.4 | 0 | 0 | 111.1 | D426 H427 L431 S432 E433 | D426-M429 HydrophobicContact CB-CB 4.2Å; D426-M429 HydrophobicContact CB-CE 4.37Å; D426-M429 WeakPolarHBondContact O-CA 3.21Å; D426-M429 WeakPolarHBondContact O-CB 3.3Å; D426-M429 PolarHBondContact O-N 2.91Å; H427-M429 VanDerWaalsContact C-N 3.3Å; M429-L431 PolarHBondContact O-N 3.37Å; M429-S432 WeakPolarHBondContact O-CB 3.35Å; M429-S432 PolarHBondContact O-N 2.8Å; M429-S432 VanDerWaalsContact O-N 3.1Å; M429-E433 PolarHBondContact O-N 2.95Å |
| 430 | E | 80.6 | Confident | 73.4 | Confident | 100 Ų | 100 | 105.8 Ų | 105.8 | 47% | 0.467 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -57.6 | -46.3 | 175.2 | -62.5 | -175.5 | 113.9 | 0 | 0 | 112 | V425 D426 H427 S432 E433 L434 | V425-E430 HydrophobicContact CG1-CG 4.18Å; D426-E430 PolarHBondContact O-N 3.08Å; H427-E430 IonicContact CE1-OE2 3.8Å; H427-E430 IonicContact CG-OE2 3.74Å; H427-E430 IonicContact ND1-OE2 2.81Å; H427-E430 PolarHBondContact ND1-OE2 3.5Å; E430-S432 VanDerWaalsContact C-N 3.28Å; E430-S432 PolarHBondContact O-N 3.39Å; E430-E433 WeakPolarHBondContact O-CB 3.27Å; E430-E433 PolarHBondContact O-N 3.1Å; E430-L434 PolarHBondContact O-N 2.96Å |
| 431 | L | 83.4 | Confident | 73 | Confident | 122 Ų | 122 | 105.7 Ų | 105.7 | 64% | 0.639 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.7 | -30.7 | 176.8 | -70.6 | 171.1 | 0 | 0 | 0 | 112.8 | H427 M429 A435 | H427-L431 WeakPolarHBondContact O-CB 3.36Å; H427-L431 VanDerWaalsContact O-CG 3.27Å; H427-L431 WeakPolarHBondContact O-CG 3.27Å; H427-L431 PolarHBondContact O-N 2.87Å; H427-L431 VanDerWaalsContact O-N 3.08Å; M429-L431 PolarHBondContact O-N 3.37Å; L431-A435 WeakPolarHBondContact O-CB 3.44Å; L431-A435 PolarHBondContact O-N 3.47Å; L431-A435 VanDerWaalsContact O-N 3.11Å |
| 432 | S | 82.2 | Confident | 73.1 | Confident | 79 Ų | 79 | 105.5 Ų | 105.5 | 55% | 0.552 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -73.3 | -35.3 | 174.1 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | A428 M429 E430 R436 | A428-S432 WeakPolarHBondContact O-CB 3.41Å; A428-S432 PolarHBondContact O-N 3.07Å; A428-S432 VanDerWaalsContact O-N 3.14Å; A428-S432 PolarHBondContact O-OG 2.95Å; M429-S432 WeakPolarHBondContact O-CB 3.35Å; M429-S432 PolarHBondContact O-N 2.8Å; M429-S432 VanDerWaalsContact O-N 3.1Å; E430-S432 VanDerWaalsContact C-N 3.28Å; E430-S432 PolarHBondContact O-N 3.39Å; S432-R436 VanDerWaalsContact O-CB 3.32Å; S432-R436 WeakPolarHBondContact O-CB 3.44Å; S432-R436 PolarHBondContact O-N 3.48Å |
| 433 | E | 84.8 | Confident | 73 | Confident | 100 Ų | 100 | 104.2 Ų | 104.2 | 47% | 0.467 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66 | -48.7 | 174.1 | -167.5 | 98.3 | -84.1 | 0 | 0 | 110.9 | M429 E430 A435 R436 E437 | M429-E433 PolarHBondContact O-N 2.95Å; E430-E433 WeakPolarHBondContact O-CB 3.27Å; E430-E433 PolarHBondContact O-N 3.1Å; E433-A435 VanDerWaalsContact C-N 3.33Å; E433-A435 PolarHBondContact O-N 3.1Å; E433-R436 WeakPolarHBondContact O-CB 3.02Å; E433-R436 PolarHBondContact O-N 3.03Å; E433-R436 IonicContact OE1-CZ 3.34Å; E433-R436 VanDerWaalsContact OE1-CZ 3.28Å; E433-R436 IonicContact OE1-NE 3.74Å; E433-R436 PolarHBondContact OE1-NE 3.45Å; E433-R436 VanDerWaalsContact OE1-NE 3.08Å; E433-R436 IonicContact OE1-NH2 2.64Å; E433-R436 PolarHBondContact OE1-NH2 2.99Å; E433-E437 WeakPolarHBondContact O-CB 3.43Å; E433-E437 PolarHBondContact O-N 2.75Å |
| 434 | L | 80.9 | Confident | 73 | Confident | 110 Ų | 110 | 110 Ų | 110 | 58% | 0.576 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.7 | -38.9 | 175.8 | -101.6 | 66.5 | 0 | 0 | 0 | 112.6 | E430 E437 G438 | E430-L434 PolarHBondContact O-N 2.96Å; L434-E437 PolarHBondContact O-N 2.68Å; L434-G438 PolarHBondContact O-N 2.87Å |
| 435 | A | 81.5 | Confident | 72.5 | Confident | 59 Ų | 59 | 114.1 Ų | 114.1 | 49% | 0.488 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65 | -44.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L431 E433 E437 G438 D439 | L431-A435 WeakPolarHBondContact O-CB 3.44Å; L431-A435 PolarHBondContact O-N 3.47Å; L431-A435 VanDerWaalsContact O-N 3.11Å; E433-A435 VanDerWaalsContact C-N 3.33Å; E433-A435 PolarHBondContact O-N 3.1Å; A435-E437 VanDerWaalsContact C-N 3.29Å; A435-E437 PolarHBondContact O-N 3.38Å; A435-G438 PolarHBondContact O-N 3.45Å; A435-D439 PolarHBondContact O-N 2.96Å |
| 436 | R | 81.5 | Confident | 72.7 | Confident | 131 Ų | 131 | 116.1 Ų | 116.1 | 49% | 0.494 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.5 | -34.5 | 175.8 | -174.5 | -171.8 | 66.8 | 66.1 | -7.3 | 112.3 | S432 E433 I440 | S432-R436 VanDerWaalsContact O-CB 3.32Å; S432-R436 WeakPolarHBondContact O-CB 3.44Å; S432-R436 PolarHBondContact O-N 3.48Å; E433-R436 WeakPolarHBondContact O-CB 3.02Å; E433-R436 PolarHBondContact O-N 3.03Å; E433-R436 IonicContact OE1-CZ 3.34Å; E433-R436 VanDerWaalsContact OE1-CZ 3.28Å; E433-R436 IonicContact OE1-NE 3.74Å; E433-R436 PolarHBondContact OE1-NE 3.45Å; E433-R436 VanDerWaalsContact OE1-NE 3.08Å; E433-R436 IonicContact OE1-NH2 2.64Å; E433-R436 PolarHBondContact OE1-NH2 2.99Å; R436-I440 WeakPolarHBondContact O-CG1 3.34Å; R436-I440 PolarHBondContact O-N 3.45Å |
| 437 | E | 77.6 | Confident | 72.9 | Confident | 94 Ų | 94 | 117.5 Ų | 117.5 | 44% | 0.439 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71.7 | -42.8 | 174.1 | -178.6 | 165.9 | -130 | 0 | 0 | 111.8 | E433 L434 A435 D439 I440 Y441 | E433-E437 WeakPolarHBondContact O-CB 3.43Å; E433-E437 PolarHBondContact O-N 2.75Å; L434-E437 PolarHBondContact O-N 2.68Å; A435-E437 VanDerWaalsContact C-N 3.29Å; A435-E437 PolarHBondContact O-N 3.38Å; E437-D439 VanDerWaalsContact C-N 3.33Å; E437-D439 PolarHBondContact O-N 3.16Å; E437-I440 WeakPolarHBondContact O-CB 3.41Å; E437-I440 PolarHBondContact O-N 2.9Å; E437-Y441 HydrophobicContact CG-CD2 4.25Å; E437-Y441 HydrophobicContact CG-CE2 3.76Å; E437-Y441 VanDerWaalsContact O-CD2 3.27Å; E437-Y441 WeakPolarHBondContact O-CD2 3.34Å; E437-Y441 PolarHBondContact O-N 2.97Å |
| 438 | G | 73.2 | Confident | 72.7 | Confident | 35 Ų | 35 | 117.2 Ų | 117.2 | 36% | 0.361 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -55.4 | -45 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | L434 A435 I440 Y441 Q442 | L434-G438 PolarHBondContact O-N 2.87Å; A435-G438 PolarHBondContact O-N 3.45Å; G438-I440 VanDerWaalsContact C-N 3.27Å; G438-I440 PolarHBondContact O-N 3.15Å; G438-Y441 PolarHBondContact O-N 3.31Å; G438-Q442 PolarHBondContact O-N 3.02Å; G438-Q442 VanDerWaalsContact O-N 3.17Å |
| 439 | D | 70.7 | Confident | 72.1 | Confident | 106 Ų | 106 | 120.6 Ų | 120.6 | 57% | 0.567 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.8 | -31.9 | 175.9 | -82.6 | -17.8 | 0 | 0 | 0 | 112.9 | A435 E437 Q442 I443 | A435-D439 PolarHBondContact O-N 2.96Å; E437-D439 VanDerWaalsContact C-N 3.33Å; E437-D439 PolarHBondContact O-N 3.16Å; D439-Q442 PolarHBondContact O-N 3.42Å; D439-I443 WeakPolarHBondContact O-CG1 3.46Å; D439-I443 PolarHBondContact O-N 2.69Å |
| 440 | I | 66 | Low | 71.7 | Confident | 84 Ų | 84 | 120.4 Ų | 120.4 | 43% | 0.431 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.9 | -41.3 | 177 | -70.9 | 166.3 | 0 | 0 | 0 | 110.9 | R436 E437 G438 Q442 I443 | R436-I440 WeakPolarHBondContact O-CG1 3.34Å; R436-I440 PolarHBondContact O-N 3.45Å; E437-I440 WeakPolarHBondContact O-CB 3.41Å; E437-I440 PolarHBondContact O-N 2.9Å; G438-I440 VanDerWaalsContact C-N 3.27Å; G438-I440 PolarHBondContact O-N 3.15Å; I440-Q442 PolarHBondContact O-N 2.84Å; I440-I443 PolarHBondContact O-N 2.71Å |
| 441 | Y | 58.6 | Low | 71.1 | Confident | 163 Ų | 163 | 121.7 Ų | 121.7 | 64% | 0.639 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.7 | -24 | 174.5 | -70.1 | -70.3 | 0 | 0 | 0 | 112.9 | E437 G438 I443 | E437-Y441 HydrophobicContact CG-CD2 4.25Å; E437-Y441 HydrophobicContact CG-CE2 3.76Å; E437-Y441 VanDerWaalsContact O-CD2 3.27Å; E437-Y441 WeakPolarHBondContact O-CD2 3.34Å; E437-Y441 PolarHBondContact O-N 2.97Å; G438-Y441 PolarHBondContact O-N 3.31Å; Y441-I443 VanDerWaalsContact C-N 3.3Å; Y441-I443 PolarHBondContact O-N 2.84Å |
| 442 | Q | 58.3 | Low | 70.2 | Confident | 148 Ų | 148 | 121.7 Ų | 121.7 | 69% | 0.692 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -1.3 | -179.3 | -158.1 | 148.4 | 2.2 | 0 | 0 | 114.2 | G438 D439 I440 | G438-Q442 PolarHBondContact O-N 3.02Å; G438-Q442 VanDerWaalsContact O-N 3.17Å; D439-Q442 PolarHBondContact O-N 3.42Å; I440-Q442 PolarHBondContact O-N 2.84Å |
| 443 | I | 58.1 | Low | 69.3 | Low | 135 Ų | 135 | 125 Ų | 125 | 69% | 0.692 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -9.3 | 173.5 | -69.4 | 165.9 | 0 | 0 | 0 | 112.4 | D439 I440 Y441 | D439-I443 WeakPolarHBondContact O-CG1 3.46Å; D439-I443 PolarHBondContact O-N 2.69Å; I440-I443 PolarHBondContact O-N 2.71Å; Y441-I443 VanDerWaalsContact C-N 3.3Å; Y441-I443 PolarHBondContact O-N 2.84Å |
| 444 | F | 57.7 | Low | 68 | Low | 178 Ų | 178 | 127.1 Ų | 127.1 | 78% | 0.781 | 61% | 0.605 | S | S | * | * | trans | -106 | 21.4 | -175.3 | -80 | -80.7 | 0 | 0 | 0 | 115.3 | ||||
| 445 | Y | 52.3 | Low | 66.9 | Low | 282 Ų | 282 | 128.6 Ų | 128.6 | 100% | 1.106 | 61% | 0.608 | S | S | * | * | trans | -133.5 | 0 | 177.3 | -98.5 | -74.7 | 0 | 0 | 0 | 113.5 |
Retrieved 445 of 445 residues in 387.3 ms
(Link to these results)