| 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 | 44.7 | Very low | 44.1 | Very low | 229 Ų | 229 | 154.9 Ų | 154.9 | 100% | 1.128 | 83% | 0.833 | S | S | * | * | 0 | 141.2 | 0 | -69.3 | -71.9 | 175.7 | 0 | 0 | 107.3 | |||||
| 2 | P | 54.4 | Low | 43.8 | Very low | 109 Ų | 109 | 158.2 Ų | 158.2 | 71% | 0.708 | 84% | 0.839 | S | S | * | * | cis | -132.8 | 146 | -0.7 | 36.8 | -16.5 | 0 | 0 | 0 | 113.1 | ||||
| 3 | L | 42.3 | Very low | 43.8 | Very low | 142 Ų | 142 | 154.8 Ų | 154.8 | 74% | 0.743 | 84% | 0.836 | S | S | * | * | 81 | 125.2 | 97.6 | -71.5 | 164.4 | 0 | 0 | 0 | 118.5 | |||||
| 4 | T | 46.6 | Very low | 44.2 | Very low | 126 Ų | 126 | 152.4 Ų | 152.4 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | trans | 80 | 147.9 | 137.1 | 63.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 5 | R | 43.6 | Very low | 44.1 | Very low | 225 Ų | 225 | 149.8 Ų | 149.8 | 85% | 0.849 | 83% | 0.826 | S | S | * | * | cis | -177.3 | 150.1 | 1.6 | 153.6 | -177.1 | -178.8 | -173.1 | 2.3 | 110 | ||||
| 6 | S | 45.4 | Very low | 43.9 | Very low | 97 Ų | 97 | 148.9 Ų | 148.9 | 68% | 0.678 | 83% | 0.827 | S | S | * | * | trans | 58 | 132.8 | 153.4 | -65.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 7 | K | 45.8 | Very low | 43.8 | Very low | 217 Ų | 217 | 153.6 Ų | 153.6 | 94% | 0.943 | 83% | 0.829 | S | S | * | * | -160.7 | 155.4 | 117.6 | -107.8 | 169.3 | -175.5 | 178.7 | 0 | 112.7 | |||||
| 8 | K | 42.8 | Very low | 43.3 | Very low | 193 Ų | 193 | 155.3 Ų | 155.3 | 84% | 0.839 | 83% | 0.833 | S | S | * | * | trans | -121.7 | 135.1 | -155.2 | -176.8 | -171.8 | -170.5 | -173.6 | 0 | 107.8 | ||||
| 9 | L | 43 | Very low | 43.2 | Very low | 173 Ų | 173 | 153.1 Ų | 153.1 | 91% | 0.906 | 83% | 0.831 | S | S | * | * | trans | -147.6 | 99.2 | 164.5 | -69.3 | 174.8 | 0 | 0 | 0 | 106.5 | ||||
| 10 | A | 38.3 | Very low | 43.4 | Very low | 87 Ų | 87 | 153.5 Ų | 153.5 | 72% | 0.719 | 83% | 0.831 | S | S | * | * | 68.1 | 99.3 | 77 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 11 | A | 38.7 | Very low | 43.5 | Very low | 106 Ų | 106 | 157.4 Ų | 157.4 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | trans | -68.5 | 144.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 12 | Q | 39.7 | Very low | 43.2 | Very low | 194 Ų | 194 | 152.1 Ų | 152.1 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | trans | -110.6 | 128.4 | 170.6 | -66.6 | -177.5 | 9.1 | 0 | 0 | 109.6 | ||||
| 13 | S | 44.4 | Very low | 42.5 | Very low | 115 Ų | 115 | 156.3 Ų | 156.3 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -90.7 | 153.9 | 165.8 | 52.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 14 | P | 48.5 | Very low | 42.4 | Very low | 121 Ų | 121 | 161 Ų | 161 | 79% | 0.786 | 84% | 0.835 | S | S | * | * | trans | -121.4 | 166.3 | 148.3 | 33 | -20.1 | 0 | 0 | 0 | 113.9 | ||||
| 15 | P | 44.1 | Very low | 42.1 | Very low | 113 Ų | 113 | 160.3 Ų | 160.3 | 73% | 0.734 | 84% | 0.835 | S | S | * | * | trans | -114.3 | 155.3 | -147.6 | 38.3 | -26.5 | 0 | 0 | 0 | 116.4 | ||||
| 16 | T | 40.6 | Very low | 42.2 | Very low | 136 Ų | 136 | 155.9 Ų | 155.9 | 83% | 0.834 | 83% | 0.833 | S | S | * | * | trans | 27.7 | 131.5 | 139.6 | -21.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 17 | R | 41.2 | Very low | 42 | Very low | 229 Ų | 229 | 156.6 Ų | 156.6 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | trans | 108.3 | 103.7 | 132.7 | -156.5 | -173.8 | -168.2 | -178 | 4.1 | 118 | ||||
| 18 | M | 35.9 | Very low | 41.6 | Very low | 184 Ų | 184 | 154.7 Ų | 154.7 | 91% | 0.906 | 83% | 0.834 | S | S | * | * | trans | -156.5 | 101.9 | 137.4 | -66.9 | -152.7 | 83.8 | 0 | 0 | 108 | ||||
| 19 | S | 41 | Very low | 41.4 | Very low | 112 Ų | 112 | 151.7 Ų | 151.7 | 78% | 0.783 | 83% | 0.832 | S | S | * | * | 65.6 | 114.4 | 95.3 | -168.2 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 20 | L | 46.7 | Very low | 41.2 | Very low | 162 Ų | 162 | 149 Ų | 149 | 85% | 0.848 | 83% | 0.825 | S | S | * | * | trans | -63.6 | 162.6 | 170.5 | -65.9 | 161.2 | 0 | 0 | 0 | 113.1 | ||||
| 21 | R | 45.7 | Very low | 41 | Very low | 236 Ų | 236 | 153 Ų | 153 | 89% | 0.891 | 83% | 0.83 | S | S | * | * | trans | 107.5 | 100.2 | 162 | -62.9 | 178.4 | 175.8 | 176.6 | -1.2 | 115.9 | ||||
| 22 | S | 39.4 | Very low | 41.1 | Very low | 117 Ų | 117 | 156.6 Ų | 156.6 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | -159.8 | 87.7 | 127.3 | 54.6 | 0 | 0 | 0 | 0 | 110.2 | R24 | S22-R24 PolarHBondContact O-N 3.49Š| |||
| 23 | F | 38.8 | Very low | 41.1 | Very low | 198 Ų | 198 | 152.8 Ų | 152.8 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | trans | -63.5 | 123.2 | 158.6 | -74.4 | -92.3 | 0 | 0 | 0 | 107.9 | S25 | F23-S25 PolarHBondContact O-N 2.91Š| ||
| 24 | R | 41.1 | Very low | 40.5 | Very low | 241 Ų | 241 | 153.1 Ų | 153.1 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | -86.9 | 91 | 159.9 | -85.1 | -171.4 | 169.6 | -167.3 | -2.4 | 108.2 | S22 | S22-R24 PolarHBondContact O-N 3.49Š| ||
| 25 | S | 39.8 | Very low | 39.8 | Very low | 110 Ų | 110 | 153.1 Ų | 153.1 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 121.3 | 157 | 40.9 | 0 | 0 | 0 | 0 | 109.8 | F23 | F23-S25 PolarHBondContact O-N 2.91Š|
| 26 | V | 44.9 | Very low | 39.3 | Very low | 132 Ų | 132 | 152.7 Ų | 152.7 | 80% | 0.8 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 132.4 | 164.2 | 177.1 | 0 | 0 | 0 | 0 | 107 | ||
| 27 | P | 42.3 | Very low | 39.2 | Very low | 113 Ų | 113 | 150.7 Ų | 150.7 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 146.7 | -168.1 | 28.3 | -34 | 0 | 0 | 0 | 113.8 | ||
| 28 | L | 37.3 | Very low | 38.9 | Very low | 176 Ų | 176 | 147.4 Ų | 147.4 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 135.5 | 167.9 | -64.2 | 159.8 | 0 | 0 | 0 | 110.5 | ||
| 29 | V | 38.5 | Very low | 39 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -111.2 | 137.6 | 165.5 | -179.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 30 | P | 38.9 | Very low | 39.1 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | trans | -74.7 | 148.1 | -169.4 | -8.4 | 25.8 | 0 | 0 | 0 | 112.5 | ||||
| 31 | M | 33.2 | Very low | 39.2 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 83% | 0.833 | 81% | 0.812 | S | S | * | * | trans | -93.7 | 120.2 | 174.9 | -157.9 | 170.7 | 84.2 | 0 | 0 | 108 | ||||
| 32 | E | 41.5 | Very low | 38.8 | Very low | 183 Ų | 183 | 139.8 Ų | 139.8 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -119.8 | 130.4 | 163.8 | -75.5 | -81.4 | 124.3 | 0 | 0 | 107.8 | ||||
| 33 | T | 38.8 | Very low | 39.1 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | -80.8 | 139.4 | -171.7 | 46.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 34 | S | 31.5 | Very low | 38.9 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -167.2 | 97.4 | 145.6 | -79.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 35 | S | 35.5 | Very low | 38.7 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | 27.7 | 115.3 | 131.5 | -168.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 36 | S | 33.3 | Very low | 38.9 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | 174.2 | 102.6 | 127.8 | 58.6 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 37 | S | 37.8 | Very low | 38.6 | Very low | 94 Ų | 94 | 134.2 Ų | 134.2 | 66% | 0.657 | 80% | 0.804 | S | S | * | * | 75.5 | 104.8 | 96.9 | 74.4 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 38 | D | 34 | Very low | 38.5 | Very low | 160 Ų | 160 | 132 Ų | 132 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | 75.2 | 91.3 | 139.8 | -39.7 | -37.3 | 0 | 0 | 0 | 120.8 | ||||
| 39 | D | 39.1 | Very low | 38.4 | Very low | 167 Ų | 167 | 127 Ų | 127 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | -130.4 | 101.5 | 154.2 | -146.5 | -51.9 | 0 | 0 | 0 | 109.8 | ||||
| 40 | S | 42.9 | Very low | 38.3 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -87.3 | 109.8 | -176 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 41 | C | 48.8 | Very low | 38.2 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | trans | -89.2 | 111.7 | 166.8 | -170.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 42 | D | 38.1 | Very low | 38.2 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | trans | -161.5 | 139 | 164.3 | -99.7 | -36.4 | 0 | 0 | 0 | 106.9 | ||||
| 43 | S | 45.7 | Very low | 38.2 | Very low | 98 Ų | 98 | 126.5 Ų | 126.5 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | cis | -169.2 | 122.8 | 1.9 | -117.4 | 0 | 0 | 0 | 0 | 104.4 | G45 | S43-G45 VanDerWaalsContact C-N 3.3Å; S43-G45 PolarHBondContact O-N 2.96Å | ||
| 44 | F | 34.8 | Very low | 38.1 | Very low | 226 Ų | 226 | 132.6 Ų | 132.6 | 99% | 0.991 | 81% | 0.806 | S | S | * | * | trans | -76.9 | 86 | 172.1 | -89 | -84 | 0 | 0 | 0 | 109.6 | ||||
| 45 | G | 35.8 | Very low | 38.3 | Very low | 71 Ų | 71 | 138.7 Ų | 138.7 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | -70.1 | 138.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S43 | S43-G45 VanDerWaalsContact C-N 3.3Å; S43-G45 PolarHBondContact O-N 2.96Å | ||
| 46 | S | 45 | Very low | 38.2 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -66.5 | 140.9 | 179.6 | -61 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 47 | D | 37.6 | Very low | 38.2 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -149.3 | 108 | 134.5 | -140 | -6.8 | 0 | 0 | 0 | 111.7 | G49 | D47-G49 PolarHBondContact O-N 3.2Å; D47-G49 VanDerWaalsContact O-N 3.17Å | ||
| 48 | G | 40.5 | Very low | 38.1 | Very low | 65 Ų | 65 | 148 Ų | 148 | 67% | 0.67 | 82% | 0.824 | S | S | * | * | trans | -79.7 | 88 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | F50 | G48-F50 PolarHBondContact O-N 3.5Š| ||
| 49 | G | 34.7 | Very low | 38.1 | Very low | 71 Ų | 71 | 148.7 Ų | 148.7 | 73% | 0.732 | 82% | 0.822 | S | S | * | * | trans | -69.1 | 108.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D47 A51 | D47-G49 PolarHBondContact O-N 3.2Å; D47-G49 VanDerWaalsContact O-N 3.17Å; G49-A51 PolarHBondContact O-N 3.14Å | ||
| 50 | F | 36.4 | Very low | 37.6 | Very low | 209 Ų | 209 | 147.3 Ų | 147.3 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | trans | -59.1 | 102.3 | 168.4 | -90.8 | -101.4 | 0 | 0 | 0 | 110.9 | G48 N52 | G48-F50 PolarHBondContact O-N 3.5Å; F50-N52 PolarHBondContact O-N 3.36Å | ||
| 51 | A | 37.8 | Very low | 37.1 | Very low | 90 Ų | 90 | 153.6 Ų | 153.6 | 74% | 0.744 | 83% | 0.828 | S | S | * | * | trans | -75 | 100.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | G49 T53 | G49-A51 PolarHBondContact O-N 3.14Å; A51-T53 PolarHBondContact O-N 3.3Å | ||
| 52 | N | 32.6 | Very low | 36.3 | Very low | 159 Ų | 159 | 154.3 Ų | 154.3 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | -80.2 | 90.6 | 169.9 | -140.7 | 1.3 | 0 | 0 | 0 | 108 | F50 R54 | F50-N52 PolarHBondContact O-N 3.36Å; N52-R54 PolarHBondContact O-N 3.09Å | ||
| 53 | T | 41.4 | Very low | 36 | Very low | 132 Ų | 132 | 152.4 Ų | 152.4 | 81% | 0.81 | 83% | 0.832 | S | S | * | * | trans | -72.7 | 109.2 | 174.3 | 44.5 | 0 | 0 | 0 | 0 | 109.8 | A51 R55 | A51-T53 PolarHBondContact O-N 3.3Å; T53-R55 PolarHBondContact O-N 3.26Å | ||
| 54 | R | 36.3 | Very low | 35.3 | Very low | 243 Ų | 243 | 156.9 Ų | 156.9 | 92% | 0.917 | 84% | 0.842 | S | S | * | * | trans | -66.2 | 126.6 | 170.1 | -73.8 | -174.7 | 171.4 | -174.4 | -1.3 | 109.9 | N52 S56 | N52-R54 PolarHBondContact O-N 3.09Å; R54-S56 PolarHBondContact O-N 2.67Å | ||
| 55 | R | 36.7 | Very low | 35.4 | Very low | 250 Ų | 250 | 155.7 Ų | 155.7 | 94% | 0.943 | 84% | 0.836 | S | S | * | * | trans | -58.8 | 111.3 | 163.9 | -167.3 | 178.2 | -175 | -171 | 1.8 | 108.9 | T53 | T53-R55 PolarHBondContact O-N 3.26Š| ||
| 56 | S | 33 | Very low | 35.4 | Very low | 111 Ų | 111 | 158.4 Ų | 158.4 | 78% | 0.776 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 128.6 | 169.7 | -174 | 0 | 0 | 0 | 0 | 110.3 | R54 | R54-S56 PolarHBondContact O-N 2.67Š|
| 57 | L | 33.6 | Very low | 34.6 | Very low | 157 Ų | 157 | 160.9 Ų | 160.9 | 82% | 0.822 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 125.4 | 173.1 | -133.9 | 81.4 | 0 | 0 | 0 | 110.5 | Q59 | L57-Q59 PolarHBondContact O-N 3.29Š|
| 58 | R | 34.6 | Very low | 34.2 | Very low | 247 Ų | 247 | 159.9 Ų | 159.9 | 93% | 0.932 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 118.1 | 163.9 | -80.9 | -174.4 | 180 | -177.6 | -0.1 | 108.7 | ||
| 59 | Q | 34.9 | Very low | 33.5 | Very low | 174 Ų | 174 | 165.2 Ų | 165.2 | 81% | 0.813 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 133.7 | 168.9 | -74.8 | 174.1 | -14.2 | 0 | 0 | 110.2 | L57 | L57-Q59 PolarHBondContact O-N 3.29Š|
| 60 | T | 29.5 | Very low | 33.2 | Very low | 138 Ų | 138 | 170 Ų | 170 | 85% | 0.847 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 129.1 | 163.4 | 40.4 | 0 | 0 | 0 | 0 | 111.2 | ||
| 61 | R | 32.4 | Very low | 32.9 | Very low | 235 Ų | 235 | 163.9 Ų | 163.9 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | trans | -136 | 140.8 | 159 | -72.5 | -173 | 69.6 | 159.2 | -1.1 | 110.5 | ||||
| 62 | T | 31.3 | Very low | 32.3 | Very low | 139 Ų | 139 | 165.4 Ų | 165.4 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | trans | -72.4 | 159 | -167.2 | 43.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 63 | A | 31 | Very low | 32.3 | Very low | 99 Ų | 99 | 162.8 Ų | 162.8 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -66.3 | 146.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 64 | Q | 31.8 | Very low | 31.9 | Very low | 193 Ų | 193 | 163.8 Ų | 163.8 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | trans | -135.3 | 136.2 | 155.2 | -74.6 | -170.8 | -3 | 0 | 0 | 109.6 | ||||
| 65 | K | 36.8 | Very low | 31.8 | Very low | 200 Ų | 200 | 159.8 Ų | 159.8 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | trans | -73.4 | 166.3 | 178 | -72.5 | 177.3 | 172.3 | 179.8 | 0 | 111.9 | ||||
| 66 | P | 35.6 | Very low | 31.5 | Very low | 128 Ų | 128 | 154.7 Ų | 154.7 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | trans | -121.5 | 157.4 | 132 | 34 | -23.9 | 0 | 0 | 0 | 112.9 | ||||
| 67 | K | 29 | Very low | 31.4 | Very low | 174 Ų | 174 | 155 Ų | 155 | 76% | 0.757 | 80% | 0.803 | S | S | * | * | trans | -107.5 | 133 | -176 | 176.1 | -179.6 | -177 | 178.4 | 0 | 107.7 | ||||
| 68 | V | 28.2 | Very low | 31.3 | Very low | 144 Ų | 144 | 153 Ų | 153 | 87% | 0.873 | 80% | 0.801 | S | S | * | * | trans | -140.2 | 147 | 159 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 69 | F | 26.8 | Very low | 31.2 | Very low | 176 Ų | 176 | 146.9 Ų | 146.9 | 77% | 0.772 | 80% | 0.796 | S | S | * | * | trans | -77.5 | 173.4 | -160.5 | -103.3 | -104.1 | 0 | 0 | 0 | 116.4 | ||||
| 70 | E | 27.7 | Very low | 31 | Very low | 171 Ų | 171 | 142 Ų | 142 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -102.1 | 152.8 | -164 | 173.1 | 177.3 | -168.1 | 0 | 0 | 113.5 | ||||
| 71 | A | 29.4 | Very low | 31 | Very low | 81 Ų | 81 | 144.1 Ų | 144.1 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | trans | 160.2 | 108.9 | 136.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 72 | T | 26.3 | Very low | 31.1 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | 100.4 | 121.8 | 88.1 | 56.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 73 | S | 31.2 | Very low | 31.4 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 60.1 | 146.3 | 141.4 | 67.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 74 | E | 33.8 | Very low | 31.7 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 71% | 0.71 | 78% | 0.782 | S | S | * | * | cis | -160.9 | 160.5 | 20 | 50.9 | -144.8 | 153.7 | 0 | 0 | 112.4 | ||||
| 75 | E | 33.8 | Very low | 32 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | 43.7 | 146.8 | 152.3 | 76 | -152 | -178.8 | 0 | 0 | 122 | ||||
| 76 | D | 31.3 | Very low | 32.2 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | cis | -168.6 | 163.5 | 18.5 | -140 | -15.4 | 0 | 0 | 0 | 111.8 | ||||
| 77 | T | 31.2 | Very low | 32.4 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | trans | 84.6 | 94.1 | 150.2 | -46.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 78 | C | 30.1 | Very low | 33.1 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | 68 | 116.8 | 116.5 | -151.7 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 79 | S | 33.1 | Very low | 33.7 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | 144.2 | 132.5 | 127 | 66.1 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 80 | G | 31.1 | Very low | 34.1 | Very low | 73 Ų | 73 | 143.3 Ų | 143.3 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | cis | 124.4 | 85.7 | 4.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 81 | F | 28.4 | Very low | 34.3 | Very low | 181 Ų | 181 | 145.3 Ų | 145.3 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -174.2 | 115.7 | 140.2 | -134.2 | -108.6 | 0 | 0 | 0 | 115 | ||||
| 82 | E | 35.9 | Very low | 34.5 | Very low | 164 Ų | 164 | 145.9 Ų | 145.9 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | trans | 47.3 | 116.7 | 142.1 | -55 | -166.5 | 171.3 | 0 | 0 | 124.3 | ||||
| 83 | E | 36.9 | Very low | 34.8 | Very low | 176 Ų | 176 | 149.5 Ų | 149.5 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -118.6 | 134.6 | 160.3 | -166.9 | 178.7 | -151.6 | 0 | 0 | 107.1 | ||||
| 84 | N | 37.1 | Very low | 34.9 | Very low | 148 Ų | 148 | 154 Ų | 154 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | trans | 140.5 | 81.3 | 152 | -73.2 | -34.3 | 0 | 0 | 0 | 115.2 | ||||
| 85 | V | 38.9 | Very low | 34.9 | Very low | 139 Ų | 139 | 153.7 Ų | 153.7 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | trans | -146.4 | 145.2 | 147.3 | -169.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 86 | I | 39.9 | Very low | 34.8 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 80% | 0.795 | 82% | 0.821 | S | S | * | * | trans | 88 | 51.2 | 177.2 | -34 | 164.5 | 0 | 0 | 0 | 114.9 | ||||
| 87 | S | 39.6 | Very low | 34.9 | Very low | 122 Ų | 122 | 148 Ų | 148 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -136.4 | 66.8 | 149.9 | -82.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 88 | K | 45.3 | Very low | 34.8 | Very low | 203 Ų | 203 | 151.7 Ų | 151.7 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -170.3 | 120.9 | 165.3 | -103.5 | 157.1 | -172.3 | -178.8 | 0 | 106.8 | ||
| 89 | Q | 39.7 | Very low | 35 | Very low | 190 Ų | 190 | 150.5 Ų | 150.5 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | trans | 121.5 | 59.9 | 164.9 | -160.3 | 172.4 | 16.3 | 0 | 0 | 115.3 | ||||
| 90 | I | 35.6 | Very low | 35.2 | Very low | 174 Ų | 174 | 150.5 Ų | 150.5 | 89% | 0.892 | 83% | 0.829 | S | S | * | * | trans | -147.7 | 78.1 | 135.4 | -43.2 | 177 | 0 | 0 | 0 | 109 | ||||
| 91 | K | 32.1 | Very low | 35.4 | Very low | 213 Ų | 213 | 156.1 Ų | 156.1 | 93% | 0.926 | 83% | 0.833 | S | S | * | * | trans | -147 | 92.6 | 161.9 | -94.3 | -171.5 | -178.7 | 175.7 | 0 | 109.5 | ||||
| 92 | A | 33.4 | Very low | 35.7 | Very low | 94 Ų | 94 | 155.4 Ų | 155.4 | 78% | 0.777 | 84% | 0.837 | S | S | * | * | trans | 179.8 | 117.3 | 154.6 | 0 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 93 | M | 32.1 | Very low | 35.8 | Very low | 198 Ų | 198 | 151.4 Ų | 151.4 | 98% | 0.975 | 84% | 0.839 | S | S | * | * | -154.4 | 162.4 | 62 | -64.8 | 170.4 | 82.8 | 0 | 0 | 110.6 | |||||
| 94 | K | 33.5 | Very low | 35.8 | Very low | 200 Ų | 200 | 153.9 Ų | 153.9 | 87% | 0.87 | 84% | 0.841 | S | S | * | * | trans | -125.7 | 129.5 | -171.4 | 171.4 | -172.3 | -179.1 | -173.7 | 0 | 109.7 | ||||
| 95 | V | 33.8 | Very low | 36.1 | Very low | 144 Ų | 144 | 157.7 Ų | 157.7 | 87% | 0.873 | 84% | 0.844 | S | S | * | * | trans | -158.7 | 112.3 | 149.9 | -179.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 96 | G | 30.8 | Very low | 36.4 | Very low | 64 Ų | 64 | 156.4 Ų | 156.4 | 66% | 0.66 | 84% | 0.841 | S | S | * | * | 74.5 | 125 | 95.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 97 | S | 33.8 | Very low | 36.5 | Very low | 118 Ų | 118 | 155.6 Ų | 155.6 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | cis | -169 | 153.5 | 20 | -48.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 98 | E | 29.3 | Very low | 36.7 | Very low | 197 Ų | 197 | 155.3 Ų | 155.3 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | trans | 72.8 | 136 | 156.4 | -53 | -152.5 | 152.4 | 0 | 0 | 123.7 | ||||
| 99 | A | 34.6 | Very low | 36.9 | Very low | 91 Ų | 91 | 153.8 Ų | 153.8 | 75% | 0.752 | 83% | 0.832 | S | S | * | * | trans | -97.2 | 164.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 100 | P | 37 | Very low | 37.3 | Very low | 116 Ų | 116 | 153.8 Ų | 153.8 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | -152.5 | 147.5 | 91.2 | 35.4 | -15.5 | 0 | 0 | 0 | 117.6 | |||||
| 101 | K | 36.3 | Very low | 38 | Very low | 191 Ų | 191 | 151.6 Ų | 151.6 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | trans | 46.1 | 144.3 | 137.3 | -57.9 | -177.4 | 179.5 | 174.2 | 0 | 123.3 | ||||
| 102 | L | 33.3 | Very low | 38.5 | Very low | 167 Ų | 167 | 145.9 Ų | 145.9 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | 91.4 | 118.7 | 143.7 | -85.8 | 142.3 | 0 | 0 | 0 | 118.6 | ||||
| 103 | G | 37.9 | Very low | 39 | Very low | 79 Ų | 79 | 148.4 Ų | 148.4 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | trans | -69.4 | 154.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 104 | R | 37.9 | Very low | 39.7 | Very low | 228 Ų | 228 | 143.7 Ų | 143.7 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -114.5 | 114.6 | -179.6 | -151.8 | 173.8 | -165.7 | -140.8 | 4.4 | 110.4 | ||||
| 105 | R | 43.1 | Very low | 40.1 | Very low | 228 Ų | 228 | 142.5 Ų | 142.5 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -77 | 153.7 | 172.2 | -73.5 | 178.7 | 165.9 | 177.7 | -3.9 | 110.8 | ||||
| 106 | S | 45.1 | Very low | 40.8 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -55.6 | 129.3 | 175.1 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | V108 | S106-V108 PolarHBondContact O-N 2.91Š| ||
| 107 | N | 42.5 | Very low | 41.5 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | trans | -74.9 | 111.6 | 175.8 | -67.3 | -29.1 | 0 | 0 | 0 | 110.6 | ||||
| 108 | V | 43.4 | Very low | 41.8 | Very low | 117 Ų | 117 | 149 Ų | 149 | 71% | 0.709 | 81% | 0.809 | S | S | * | * | trans | -100 | 114.4 | 161.6 | 177.8 | 0 | 0 | 0 | 0 | 107.1 | S106 K110 | S106-V108 PolarHBondContact O-N 2.91Å; V108-K110 PolarHBondContact O-N 3.18Å | ||
| 109 | L | 48.8 | Very low | 42.4 | Very low | 170 Ų | 170 | 149.5 Ų | 149.5 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | -64.9 | 114.2 | 172.9 | -72.3 | 163.5 | 0 | 0 | 0 | 109.1 | ||||
| 110 | K | 48.3 | Very low | 42.7 | Very low | 191 Ų | 191 | 151.9 Ų | 151.9 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | trans | -100.5 | 111.4 | 170.5 | -72.8 | 178.3 | 179.6 | 172.3 | 0 | 108.5 | V108 A112 | V108-K110 PolarHBondContact O-N 3.18Å; K110-A112 PolarHBondContact O-N 2.95Å | ||
| 111 | V | 50.1 | Low | 42.9 | Very low | 127 Ų | 127 | 149.9 Ų | 149.9 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -75.8 | 114.4 | 168.7 | 179.3 | 0 | 0 | 0 | 0 | 107.7 | M113 | V111-M113 HydrophobicContact CG1-SD 4.39Š| ||
| 112 | A | 43.5 | Very low | 43.1 | Very low | 94 Ų | 94 | 151 Ų | 151 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | trans | -87.4 | 119.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109 | K110 | K110-A112 PolarHBondContact O-N 2.95Š| ||
| 113 | M | 43.2 | Very low | 43.1 | Very low | 147 Ų | 147 | 153 Ų | 153 | 72% | 0.724 | 82% | 0.821 | S | S | * | * | trans | -87 | 106.7 | 168.2 | -61.1 | -67.4 | -84.8 | 0 | 0 | 107.6 | V111 F115 | V111-M113 HydrophobicContact CG1-SD 4.39Å; M113-F115 HydrophobicContact CB-CE2 4.3Å | ||
| 114 | A | 46.7 | Very low | 42.9 | Very low | 99 Ų | 99 | 160.7 Ų | 160.7 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -86 | 118.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 115 | F | 42 | Very low | 43 | Very low | 174 Ų | 174 | 156.1 Ų | 156.1 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 131 | 171.3 | -67 | -85 | 0 | 0 | 0 | 109.3 | M113 T117 | M113-F115 HydrophobicContact CB-CE2 4.3Å; F115-T117 PolarHBondContact O-N 3.06Å |
| 116 | P | 48.4 | Very low | 42.4 | Very low | 124 Ų | 124 | 150.2 Ų | 150.2 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -69 | 128.2 | 177 | 25.4 | -30.7 | 0 | 0 | 0 | 111.1 | ||
| 117 | T | 45.5 | Very low | 42.1 | Very low | 135 Ų | 135 | 150.7 Ų | 150.7 | 83% | 0.828 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 121.6 | 175.3 | 46.9 | 0 | 0 | 0 | 0 | 110.1 | F115 | F115-T117 PolarHBondContact O-N 3.06Š|
| 118 | K | 39.9 | Very low | 42 | Very low | 204 Ų | 204 | 152.9 Ų | 152.9 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 127.2 | 172.7 | -74.2 | -174.7 | 175.5 | -177.4 | 0 | 109.7 | ||
| 119 | K | 43.4 | Very low | 41.8 | Very low | 208 Ų | 208 | 153.1 Ų | 153.1 | 90% | 0.904 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 124.6 | 175.4 | -65.3 | 177.9 | 178.9 | 178.1 | 0 | 110.2 | ||
| 120 | T | 40.5 | Very low | 41.1 | Very low | 141 Ų | 141 | 153 Ų | 153 | 87% | 0.865 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 116.2 | 171.3 | 47.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 121 | G | 40.1 | Very low | 40.7 | Very low | 74 Ų | 74 | 149.4 Ų | 149.4 | 76% | 0.763 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 153.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 122 | K | 40.6 | Very low | 40.1 | Very low | 214 Ų | 214 | 152.1 Ų | 152.1 | 93% | 0.93 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -59 | 142.6 | -171.6 | -71.2 | 170.5 | 172.7 | 177.5 | 0 | 114.4 | ||
| 123 | K | 33.6 | Very low | 39.8 | Very low | 210 Ų | 210 | 153.3 Ų | 153.3 | 91% | 0.913 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 144.3 | 167.6 | -64.2 | 179.4 | 177.5 | -179 | 0 | 111.2 | ||
| 124 | R | 33.5 | Very low | 39.6 | Very low | 240 Ų | 240 | 156.3 Ų | 156.3 | 91% | 0.906 | 85% | 0.846 | S | S | * | * | trans | -109.2 | 150.4 | 158.5 | -84.1 | -176.1 | 174 | 178.3 | -2 | 109.1 | ||||
| 125 | P | 40.5 | Very low | 39 | Very low | 131 Ų | 131 | 158 Ų | 158 | 85% | 0.851 | 85% | 0.846 | S | S | * | * | trans | -82.1 | 163.9 | -171.2 | 33.7 | -34.1 | 0 | 0 | 0 | 113.8 | ||||
| 126 | A | 30.3 | Very low | 38.9 | Very low | 105 Ų | 105 | 158.2 Ų | 158.2 | 87% | 0.868 | 85% | 0.85 | S | S | * | * | trans | -66.4 | 150.7 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 127 | S | 40.1 | Very low | 38.5 | Very low | 121 Ų | 121 | 160 Ų | 160 | 85% | 0.846 | 85% | 0.853 | S | S | * | * | trans | -118.5 | 143.7 | 155.3 | 56.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 128 | E | 38.7 | Very low | 38.6 | Very low | 184 Ų | 184 | 158 Ų | 158 | 86% | 0.86 | 84% | 0.844 | S | S | * | * | trans | -45.5 | 142.4 | -174.5 | -164.2 | 168.2 | -177.2 | 0 | 0 | 116.8 | ||||
| 129 | P | 39.2 | Very low | 39.2 | Very low | 123 Ų | 123 | 154.2 Ų | 154.2 | 80% | 0.799 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -93 | 130.5 | 176.1 | 28.4 | -18.3 | 0 | 0 | 0 | 112.6 | ||
| 130 | L | 35.2 | Very low | 39.6 | Very low | 166 Ų | 166 | 147.8 Ų | 147.8 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 155.1 | 168.4 | -82.5 | 167.4 | 0 | 0 | 0 | 111.5 | ||
| 131 | P | 39.4 | Very low | 40.2 | Very low | 116 Ų | 116 | 148.1 Ų | 148.1 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 146.8 | -151.5 | 29.8 | -34.3 | 0 | 0 | 0 | 115.4 | ||
| 132 | Q | 36.9 | Very low | 40.9 | Very low | 184 Ų | 184 | 151.4 Ų | 151.4 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 143.1 | 173 | -64.2 | -171.5 | -35.4 | 0 | 0 | 112.2 | ||
| 133 | P | 38.1 | Very low | 41.6 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 126.2 | 160.3 | 31.1 | -26.8 | 0 | 0 | 0 | 109.4 | V135 | P133-V135 PolarHBondContact O-N 3.39Š|
| 134 | K | 38.4 | Very low | 43 | Very low | 210 Ų | 210 | 144.7 Ų | 144.7 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | trans | -65 | 115.8 | 174.9 | -66.2 | 173.8 | 179 | 176.6 | 0 | 109.4 | ||||
| 135 | V | 35.3 | Very low | 45.1 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -108 | 125.5 | 159 | -164.5 | 0 | 0 | 0 | 0 | 105.9 | P133 D137 | P133-V135 PolarHBondContact O-N 3.39Å; V135-D137 PolarHBondContact O-N 2.8Å | ||
| 136 | Q | 39.1 | Very low | 47 | Very low | 178 Ų | 178 | 137 Ų | 137 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | trans | -62.2 | 123.9 | -175.4 | -74.6 | 159.9 | -28.9 | 0 | 0 | 110.3 | S138 | Q136-S138 PolarHBondContact O-N 2.94Å; Q136-S138 VanDerWaalsContact O-N 3.11Å | ||
| 137 | D | 40.4 | Very low | 49.6 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 87% | 0.872 | 73% | 0.731 | S | S | * | * | trans | -64.7 | 102.9 | 165.5 | -82.6 | -47 | 0 | 0 | 0 | 108.8 | V135 | V135-D137 PolarHBondContact O-N 2.8Š| ||
| 138 | S | 47.9 | Very low | 51.9 | Low | 92 Ų | 92 | 133.9 Ų | 133.9 | 64% | 0.643 | 71% | 0.709 | S | S | * | * | trans | -113.4 | 8.7 | 167.3 | -70.3 | 0 | 0 | 0 | 0 | 113 | Q136 | Q136-S138 PolarHBondContact O-N 2.94Å; Q136-S138 VanDerWaalsContact O-N 3.11Å | ||
| 139 | D | 51.8 | Low | 54.3 | Low | 124 Ų | 124 | 130.6 Ų | 130.6 | 66% | 0.663 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -90.4 | -12.2 | -173.3 | -129.1 | -12.9 | 0 | 0 | 0 | 113.9 | ||
| 140 | A | 51.7 | Low | 56.8 | Low | 73 Ų | 73 | 131.9 Ų | 131.9 | 60% | 0.603 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -76.7 | -31.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E142 E144 | A140-E142 VanDerWaalsContact C-N 3.34Å; A140-E144 PolarHBondContact O-N 3.2Å |
| 141 | E | 52.6 | Low | 59.6 | Low | 148 Ų | 148 | 126.7 Ų | 126.7 | 69% | 0.692 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -73.2 | -26.5 | -177.7 | -62.4 | -77.6 | 158.7 | 0 | 0 | 111.9 | N145 | E141-N145 WeakPolarHBondContact O-CB 3.37Å; E141-N145 PolarHBondContact O-N 3.16Å |
| 142 | E | 54.7 | Low | 62.2 | Low | 144 Ų | 144 | 125.8 Ų | 125.8 | 67% | 0.673 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77.6 | -35.4 | 179 | -66.7 | -161.7 | 168.4 | 0 | 0 | 112.7 | A140 N145 F146 | A140-E142 VanDerWaalsContact C-N 3.34Å; E142-N145 PolarHBondContact O-N 3.11Å; E142-F146 PolarHBondContact O-N 3.3Å; E142-F146 VanDerWaalsContact O-N 3.16Å |
| 143 | E | 56.4 | Low | 64.9 | Low | 145 Ų | 145 | 121.1 Ų | 121.1 | 68% | 0.678 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.8 | -37.8 | 177.6 | -163.7 | 173.9 | -168.3 | 0 | 0 | 111.9 | N145 F146 M147 | E143-N145 VanDerWaalsContact C-N 3.32Å; E143-N145 PolarHBondContact O-N 3.29Å; E143-F146 PolarHBondContact O-N 3.15Å; E143-M147 WeakPolarHBondContact O-CG 3.39Å; E143-M147 PolarHBondContact O-N 3.35Å; E143-M147 VanDerWaalsContact O-N 3.09Å |
| 144 | E | 63.6 | Low | 67.7 | Low | 137 Ų | 137 | 119.1 Ų | 119.1 | 64% | 0.64 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.5 | -37.5 | 174.7 | -165.2 | 167.8 | -166.5 | 0 | 0 | 111.5 | A140 M147 A148 | A140-E144 PolarHBondContact O-N 3.2Å; E144-M147 PolarHBondContact O-N 3.25Å; E144-A148 WeakPolarHBondContact O-CB 3.47Å; E144-A148 PolarHBondContact O-N 3.41Å |
| 145 | N | 76.9 | Confident | 70.4 | Confident | 84 Ų | 84 | 115 Ų | 115 | 45% | 0.449 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.6 | -34.9 | 177 | -160.8 | 12.2 | 0 | 0 | 0 | 112.7 | E141 E142 E143 K149 | E141-N145 WeakPolarHBondContact O-CB 3.37Å; E141-N145 PolarHBondContact O-N 3.16Å; E142-N145 PolarHBondContact O-N 3.11Å; E143-N145 VanDerWaalsContact C-N 3.32Å; E143-N145 PolarHBondContact O-N 3.29Å; N145-K149 WeakPolarHBondContact O-CB 3.09Å; N145-K149 VanDerWaalsContact O-CG 3.24Å; N145-K149 WeakPolarHBondContact O-CG 3.35Å; N145-K149 PolarHBondContact O-N 2.55Å |
| 146 | F | 80.5 | Confident | 73.3 | Confident | 127 Ų | 127 | 113.8 Ų | 113.8 | 56% | 0.557 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.4 | -44.1 | 173.2 | 178.2 | -99.4 | 0 | 0 | 0 | 112 | E142 E143 A148 K149 R150 | E142-F146 PolarHBondContact O-N 3.3Å; E142-F146 VanDerWaalsContact O-N 3.16Å; E143-F146 PolarHBondContact O-N 3.15Å; F146-A148 VanDerWaalsContact C-N 3.33Å; F146-A148 PolarHBondContact O-N 3.04Å; F146-K149 PolarHBondContact O-N 3.45Å; F146-R150 WeakPolarHBondContact O-CB 3.35Å; F146-R150 PolarHBondContact O-N 3.24Å |
| 147 | M | 84.1 | Confident | 75.9 | Confident | 113 Ų | 113 | 109.6 Ų | 109.6 | 56% | 0.557 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66 | -36.9 | 177.9 | -69.6 | -64.7 | -81 | 0 | 0 | 111.7 | E143 E144 R150 A151 | E143-M147 WeakPolarHBondContact O-CG 3.39Å; E143-M147 PolarHBondContact O-N 3.35Å; E143-M147 VanDerWaalsContact O-N 3.09Å; E144-M147 PolarHBondContact O-N 3.25Å; M147-R150 PolarHBondContact O-N 2.97Å; M147-A151 WeakPolarHBondContact O-CB 3.3Å; M147-A151 PolarHBondContact O-N 3.32Å |
| 148 | A | 89.6 | Confident | 78.6 | Confident | 47 Ų | 47 | 108.5 Ų | 108.5 | 39% | 0.388 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.8 | -47.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | E144 F146 R150 A151 L152 | E144-A148 WeakPolarHBondContact O-CB 3.47Å; E144-A148 PolarHBondContact O-N 3.41Å; F146-A148 VanDerWaalsContact C-N 3.33Å; F146-A148 PolarHBondContact O-N 3.04Å; A148-R150 VanDerWaalsContact C-N 3.32Å; A148-R150 PolarHBondContact O-N 3.33Å; A148-A151 PolarHBondContact O-N 3.14Å; A148-A151 VanDerWaalsContact O-N 3.16Å; A148-L152 WeakPolarHBondContact O-CG 3.33Å; A148-L152 PolarHBondContact O-N 2.71Å |
| 149 | K | 89.4 | Confident | 80.8 | Confident | 114 Ų | 114 | 108.5 Ų | 108.5 | 50% | 0.496 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.8 | -40.8 | 175.4 | -74.6 | 169.6 | -174.6 | 172.4 | 0 | 112.1 | N145 F146 L152 N153 | N145-K149 WeakPolarHBondContact O-CB 3.09Å; N145-K149 VanDerWaalsContact O-CG 3.24Å; N145-K149 WeakPolarHBondContact O-CG 3.35Å; N145-K149 PolarHBondContact O-N 2.55Å; F146-K149 PolarHBondContact O-N 3.45Å; K149-L152 PolarHBondContact O-N 2.72Å; K149-N153 PolarHBondContact O-N 3.49Å; K149-N153 PolarHBondContact O-ND2 3.47Å |
| 150 | R | 90.9 | Very high | 82.8 | Confident | 150 Ų | 150 | 107.4 Ų | 107.4 | 57% | 0.566 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.2 | -41.8 | 175.5 | -173.7 | 176 | -175.4 | 159.4 | 3.8 | 111.6 | F146 M147 A148 N153 I154 | F146-R150 WeakPolarHBondContact O-CB 3.35Å; F146-R150 PolarHBondContact O-N 3.24Å; M147-R150 PolarHBondContact O-N 2.97Å; A148-R150 VanDerWaalsContact C-N 3.32Å; A148-R150 PolarHBondContact O-N 3.33Å; R150-N153 PolarHBondContact O-N 3.18Å; R150-I154 HydrophobicContact CG-CD1 3.96Å; R150-I154 WeakPolarHBondContact O-CB 3.38Å; R150-I154 WeakPolarHBondContact O-CD1 3.23Å; R150-I154 WeakPolarHBondContact O-CG1 3.38Å; R150-I154 PolarHBondContact O-N 2.66Å |
| 151 | A | 94 | Very high | 84.9 | Confident | 57 Ų | 57 | 108.6 Ų | 108.6 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M147 A148 I154 K155 | M147-A151 WeakPolarHBondContact O-CB 3.3Å; M147-A151 PolarHBondContact O-N 3.32Å; A148-A151 PolarHBondContact O-N 3.14Å; A148-A151 VanDerWaalsContact O-N 3.16Å; A151-I154 PolarHBondContact O-N 2.98Å; A151-K155 WeakPolarHBondContact O-CB 3.24Å; A151-K155 PolarHBondContact O-N 3.47Å |
| 152 | L | 93.9 | Very high | 86.9 | Confident | 97 Ų | 97 | 104.3 Ų | 104.3 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -49 | 174.8 | -69.6 | 174.9 | 0 | 0 | 0 | 111.6 | A148 K149 I154 K155 E156 | A148-L152 WeakPolarHBondContact O-CG 3.33Å; A148-L152 PolarHBondContact O-N 2.71Å; K149-L152 PolarHBondContact O-N 2.72Å; L152-I154 VanDerWaalsContact C-N 3.31Å; L152-I154 PolarHBondContact O-N 3.1Å; L152-K155 WeakPolarHBondContact O-CA 3.5Å; L152-K155 WeakPolarHBondContact O-CB 3.39Å; L152-K155 PolarHBondContact O-N 3.39Å; L152-E156 WeakPolarHBondContact O-CG 3.31Å; L152-E156 PolarHBondContact O-N 3.43Å |
| 153 | N | 94.3 | Very high | 88.7 | Confident | 86 Ų | 86 | 104 Ų | 104 | 46% | 0.46 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.6 | -41.3 | 176 | -84.4 | -81.9 | 0 | 0 | 0 | 112.5 | K149 R150 K155 N157 | K149-N153 PolarHBondContact O-N 3.49Å; K149-N153 PolarHBondContact O-ND2 3.47Å; R150-N153 PolarHBondContact O-N 3.18Å; N153-K155 VanDerWaalsContact C-N 3.31Å; N153-K155 PolarHBondContact O-N 3.3Å; N153-N157 WeakPolarHBondContact O-CB 3.36Å; N153-N157 VanDerWaalsContact O-CG 3.26Å; N153-N157 PolarHBondContact O-N 3.48Å; N153-N157 PolarHBondContact O-ND2 2.69Å |
| 154 | I | 95.6 | Very high | 90.4 | Very high | 77 Ų | 77 | 101.2 Ų | 101.2 | 40% | 0.395 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 176.1 | -70.2 | 166.2 | 0 | 0 | 0 | 110.8 | R150 A151 L152 K158 | R150-I154 HydrophobicContact CG-CD1 3.96Å; R150-I154 WeakPolarHBondContact O-CB 3.38Å; R150-I154 WeakPolarHBondContact O-CD1 3.23Å; R150-I154 WeakPolarHBondContact O-CG1 3.38Å; R150-I154 PolarHBondContact O-N 2.66Å; A151-I154 PolarHBondContact O-N 2.98Å; L152-I154 VanDerWaalsContact C-N 3.31Å; L152-I154 PolarHBondContact O-N 3.1Å; I154-K158 HydrophobicContact CG2-CD 4.07Å; I154-K158 WeakPolarHBondContact O-CB 3.42Å; I154-K158 WeakPolarHBondContact O-CG 3.42Å; I154-K158 PolarHBondContact O-N 2.75Å |
| 155 | K | 95.9 | Very high | 91.7 | Very high | 123 Ų | 123 | 99.1 Ų | 99.1 | 54% | 0.535 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.5 | -47.2 | 178.7 | -172.8 | -179.9 | 175.2 | -172.6 | 0 | 111.1 | A151 L152 N153 N157 K158 E159 | A151-K155 WeakPolarHBondContact O-CB 3.24Å; A151-K155 PolarHBondContact O-N 3.47Å; L152-K155 WeakPolarHBondContact O-CA 3.5Å; L152-K155 WeakPolarHBondContact O-CB 3.39Å; L152-K155 PolarHBondContact O-N 3.39Å; N153-K155 VanDerWaalsContact C-N 3.31Å; N153-K155 PolarHBondContact O-N 3.3Å; K155-N157 PolarHBondContact O-N 3.05Å; K155-K158 WeakPolarHBondContact O-CB 3Å; K155-K158 PolarHBondContact O-N 3.31Å; K155-E159 WeakPolarHBondContact CE-OE1 3.31Å; K155-E159 WeakPolarHBondContact CG-OE1 3.23Å; K155-E159 WeakPolarHBondContact O-CG 3.32Å; K155-E159 PolarHBondContact O-N 3.37Å |
| 156 | E | 95.4 | Very high | 92.3 | Very high | 111 Ų | 111 | 97.1 Ų | 97.1 | 52% | 0.519 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 177.5 | -71.3 | 169.8 | -174.3 | 0 | 0 | 111.8 | L152 K158 E159 M160 | L152-E156 WeakPolarHBondContact O-CG 3.31Å; L152-E156 PolarHBondContact O-N 3.43Å; E156-K158 VanDerWaalsContact C-N 3.33Å; E156-K158 PolarHBondContact O-N 3.06Å; E156-E159 PolarHBondContact O-N 2.67Å; E156-M160 WeakPolarHBondContact O-CB 3.27Å; E156-M160 PolarHBondContact O-N 3.22Å |
| 157 | N | 94.5 | Very high | 92.7 | Very high | 90 Ų | 90 | 96.2 Ų | 96.2 | 48% | 0.481 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 175.7 | -75.8 | -22 | 0 | 0 | 0 | 112.4 | N153 K155 L161 | N153-N157 WeakPolarHBondContact O-CB 3.36Å; N153-N157 VanDerWaalsContact O-CG 3.26Å; N153-N157 PolarHBondContact O-N 3.48Å; N153-N157 PolarHBondContact O-ND2 2.69Å; K155-N157 PolarHBondContact O-N 3.05Å; N157-L161 VanDerWaalsContact O-CB 3.28Å; N157-L161 WeakPolarHBondContact O-CB 3.34Å; N157-L161 PolarHBondContact O-N 2.73Å |
| 158 | K | 96.3 | Very high | 92.5 | Very high | 139 Ų | 139 | 95.2 Ų | 95.2 | 60% | 0.604 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.9 | -40.7 | 175.6 | -78 | 173.3 | 179.4 | 178.6 | 0 | 111.8 | I154 K155 E156 A162 | I154-K158 HydrophobicContact CG2-CD 4.07Å; I154-K158 WeakPolarHBondContact O-CB 3.42Å; I154-K158 WeakPolarHBondContact O-CG 3.42Å; I154-K158 PolarHBondContact O-N 2.75Å; K155-K158 WeakPolarHBondContact O-CB 3Å; K155-K158 PolarHBondContact O-N 3.31Å; E156-K158 VanDerWaalsContact C-N 3.33Å; E156-K158 PolarHBondContact O-N 3.06Å; K158-A162 WeakPolarHBondContact O-CB 3.41Å; K158-A162 PolarHBondContact O-N 2.91Å |
| 159 | E | 94.9 | Very high | 91.9 | Very high | 92 Ų | 92 | 98.8 Ų | 98.8 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.3 | -42.6 | 178.8 | -73.2 | 176.3 | -169.5 | 0 | 0 | 111.7 | K155 E156 A162 K163 | K155-E159 WeakPolarHBondContact CE-OE1 3.31Å; K155-E159 WeakPolarHBondContact CG-OE1 3.23Å; K155-E159 WeakPolarHBondContact O-CG 3.32Å; K155-E159 PolarHBondContact O-N 3.37Å; E156-E159 PolarHBondContact O-N 2.67Å; E159-A162 PolarHBondContact O-N 3.07Å; E159-K163 WeakPolarHBondContact O-CG 3.35Å; E159-K163 PolarHBondContact O-N 3.23Å |
| 160 | M | 94.4 | Very high | 91.4 | Very high | 101 Ų | 101 | 100.8 Ų | 100.8 | 50% | 0.498 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 172.7 | 180 | -126.7 | -66.4 | 0 | 0 | 111.1 | E156 A162 K163 L164 | E156-M160 WeakPolarHBondContact O-CB 3.27Å; E156-M160 PolarHBondContact O-N 3.22Å; M160-A162 VanDerWaalsContact C-N 3.31Å; M160-A162 PolarHBondContact O-N 2.73Å; M160-K163 WeakPolarHBondContact O-CB 2.91Å; M160-K163 PolarHBondContact O-N 2.97Å; M160-K163 VanDerWaalsContact O-N 3.17Å; M160-L164 HydrophobicContact CG-CD1 4.37Å; M160-L164 WeakPolarHBondContact O-CG 3.35Å; M160-L164 PolarHBondContact O-N 2.91Å; M160-L164 HydrophobicContact SD-CD1 4.09Å |
| 161 | L | 94.6 | Very high | 90.5 | Very high | 99 Ų | 99 | 97.1 Ų | 97.1 | 52% | 0.518 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 175.6 | -179.7 | 64.2 | 0 | 0 | 0 | 111.7 | N157 K163 L164 L165 | N157-L161 VanDerWaalsContact O-CB 3.28Å; N157-L161 WeakPolarHBondContact O-CB 3.34Å; N157-L161 PolarHBondContact O-N 2.73Å; L161-K163 VanDerWaalsContact C-N 3.34Å; L161-K163 PolarHBondContact O-N 2.87Å; L161-L164 PolarHBondContact O-N 3.28Å; L161-L165 HydrophobicContact CD1-CD1 4.4Å; L161-L165 HydrophobicContact CD1-CG 4.38Å; L161-L165 HydrophobicContact CG-CD1 4.1Å; L161-L165 HydrophobicContact CG-CG 4.49Å; L161-L165 WeakPolarHBondContact O-CB 3.34Å; L161-L165 VanDerWaalsContact O-CG 3.27Å; L161-L165 WeakPolarHBondContact O-CG 3.25Å; L161-L165 PolarHBondContact O-N 3.12Å |
| 162 | A | 94.4 | Very high | 89 | Confident | 57 Ų | 57 | 100.4 Ų | 100.4 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | K158 E159 M160 L165 A166 | K158-A162 WeakPolarHBondContact O-CB 3.41Å; K158-A162 PolarHBondContact O-N 2.91Å; E159-A162 PolarHBondContact O-N 3.07Å; M160-A162 VanDerWaalsContact C-N 3.31Å; M160-A162 PolarHBondContact O-N 2.73Å; A162-L165 PolarHBondContact O-N 2.92Å; A162-A166 WeakPolarHBondContact O-CB 3.18Å; A162-A166 PolarHBondContact O-N 3Å |
| 163 | K | 93.2 | Very high | 87.4 | Confident | 139 Ų | 139 | 99.5 Ų | 99.5 | 60% | 0.604 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.9 | -47.7 | 174.2 | -73.2 | 174.2 | -177.9 | 176.2 | 0 | 111.5 | E159 M160 L161 L165 A166 E167 | E159-K163 WeakPolarHBondContact O-CG 3.35Å; E159-K163 PolarHBondContact O-N 3.23Å; M160-K163 WeakPolarHBondContact O-CB 2.91Å; M160-K163 PolarHBondContact O-N 2.97Å; M160-K163 VanDerWaalsContact O-N 3.17Å; L161-K163 VanDerWaalsContact C-N 3.34Å; L161-K163 PolarHBondContact O-N 2.87Å; K163-L165 PolarHBondContact O-N 3.46Å; K163-A166 CarbonylContact O-C 3.52Å; K163-A166 WeakPolarHBondContact O-CB 3.31Å; K163-A166 PolarHBondContact O-N 2.99Å; K163-A166 VanDerWaalsContact O-N 3.13Å; K163-E167 WeakPolarHBondContact O-CG 3.49Å; K163-E167 PolarHBondContact O-N 3.14Å |
| 164 | L | 92.8 | Very high | 85.8 | Confident | 85 Ų | 85 | 101.1 Ų | 101.1 | 45% | 0.445 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 177.1 | -68.3 | 174 | 0 | 0 | 0 | 112 | M160 L161 A166 E167 L168 | M160-L164 HydrophobicContact CG-CD1 4.37Å; M160-L164 WeakPolarHBondContact O-CG 3.35Å; M160-L164 PolarHBondContact O-N 2.91Å; M160-L164 HydrophobicContact SD-CD1 4.09Å; L161-L164 PolarHBondContact O-N 3.28Å; L164-A166 VanDerWaalsContact C-N 3.31Å; L164-A166 PolarHBondContact O-N 3.45Å; L164-E167 PolarHBondContact O-N 3.13Å; L164-L168 WeakPolarHBondContact O-CG 3.16Å; L164-L168 PolarHBondContact O-N 3.13Å |
| 165 | L | 90.4 | Very high | 83.8 | Confident | 93 Ų | 93 | 103.2 Ų | 103.2 | 49% | 0.487 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.6 | -37.4 | 174.7 | -72.1 | 173.4 | 0 | 0 | 0 | 111.9 | L161 A162 K163 N169 | L161-L165 HydrophobicContact CD1-CD1 4.4Å; L161-L165 HydrophobicContact CD1-CG 4.38Å; L161-L165 HydrophobicContact CG-CD1 4.1Å; L161-L165 HydrophobicContact CG-CG 4.49Å; L161-L165 WeakPolarHBondContact O-CB 3.34Å; L161-L165 VanDerWaalsContact O-CG 3.27Å; L161-L165 WeakPolarHBondContact O-CG 3.25Å; L161-L165 PolarHBondContact O-N 3.12Å; A162-L165 PolarHBondContact O-N 2.92Å; K163-L165 PolarHBondContact O-N 3.46Å; L165-N169 PolarHBondContact O-N 2.85Å; L165-N169 PolarHBondContact O-ND2 3.08Å |
| 166 | A | 88.8 | Confident | 81.4 | Confident | 43 Ų | 43 | 103.6 Ų | 103.6 | 36% | 0.355 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.9 | -36.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A162 K163 L164 N169 K170 | A162-A166 WeakPolarHBondContact O-CB 3.18Å; A162-A166 PolarHBondContact O-N 3Å; K163-A166 CarbonylContact O-C 3.52Å; K163-A166 WeakPolarHBondContact O-CB 3.31Å; K163-A166 PolarHBondContact O-N 2.99Å; K163-A166 VanDerWaalsContact O-N 3.13Å; L164-A166 VanDerWaalsContact C-N 3.31Å; L164-A166 PolarHBondContact O-N 3.45Å; A166-N169 PolarHBondContact O-N 3.35Å; A166-K170 WeakPolarHBondContact O-CG 3.2Å; A166-K170 PolarHBondContact O-N 3.25Å |
| 167 | E | 88.6 | Confident | 79.2 | Confident | 107 Ų | 107 | 101.7 Ų | 101.7 | 50% | 0.5 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.5 | -40.7 | 174.9 | -74.9 | 176.6 | -177 | 0 | 0 | 112.3 | K163 L164 N169 K170 V171 | K163-E167 WeakPolarHBondContact O-CG 3.49Å; K163-E167 PolarHBondContact O-N 3.14Å; L164-E167 PolarHBondContact O-N 3.13Å; E167-N169 PolarHBondContact O-N 3.43Å; E167-K170 WeakPolarHBondContact O-CA 3.48Å; E167-K170 WeakPolarHBondContact O-CB 3.45Å; E167-K170 PolarHBondContact O-N 2.85Å; E167-V171 PolarHBondContact O-N 3.33Å |
| 168 | L | 81.4 | Confident | 76.9 | Confident | 92 Ų | 92 | 106.6 Ų | 106.6 | 48% | 0.482 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.5 | -34.5 | 172.7 | -74.2 | 175.1 | 0 | 0 | 0 | 112.2 | L164 K170 | L164-L168 WeakPolarHBondContact O-CG 3.16Å; L164-L168 PolarHBondContact O-N 3.13Å; L168-K170 VanDerWaalsContact C-N 3.27Å; L168-K170 PolarHBondContact O-N 3.36Å |
| 169 | N | 75.4 | Confident | 74.2 | Confident | 122 Ų | 122 | 111.5 Ų | 111.5 | 65% | 0.652 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72 | -17.9 | 173.7 | -71.8 | -45.4 | 0 | 0 | 0 | 113.5 | L165 A166 E167 | L165-N169 PolarHBondContact O-N 2.85Å; L165-N169 PolarHBondContact O-ND2 3.08Å; A166-N169 PolarHBondContact O-N 3.35Å; E167-N169 PolarHBondContact O-N 3.43Å |
| 170 | K | 79.9 | Confident | 71.6 | Confident | 156 Ų | 156 | 114.9 Ų | 114.9 | 68% | 0.678 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -85.9 | -15.7 | 177.9 | -69.3 | 168.2 | -168.3 | 178.4 | 0 | 113.2 | A166 E167 L168 P172 | A166-K170 WeakPolarHBondContact O-CG 3.2Å; A166-K170 PolarHBondContact O-N 3.25Å; E167-K170 WeakPolarHBondContact O-CA 3.48Å; E167-K170 WeakPolarHBondContact O-CB 3.45Å; E167-K170 PolarHBondContact O-N 2.85Å; L168-K170 VanDerWaalsContact C-N 3.27Å; L168-K170 PolarHBondContact O-N 3.36Å; K170-P172 WeakPolarHBondContact O-CD 3.32Å |
| 171 | V | 73 | Confident | 68.9 | Low | 74 Ų | 74 | 114.5 Ų | 114.5 | 45% | 0.448 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -88.6 | 104.6 | 175.1 | -172.8 | 0 | 0 | 0 | 0 | 108.6 | E167 G173 L174 | E167-V171 PolarHBondContact O-N 3.33Å; V171-G173 PolarHBondContact O-N 3.2Å; V171-L174 HydrophobicContact CB-CD1 4.35Å; V171-L174 HydrophobicContact CG1-CD1 3.58Å |
| 172 | P | 62 | Low | 66.3 | Low | 126 Ų | 126 | 119.5 Ų | 119.5 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 121.1 | 179.2 | -10.5 | 28.7 | 0 | 0 | 0 | 108.5 | K170 | K170-P172 WeakPolarHBondContact O-CD 3.32Š|
| 173 | G | 60.5 | Low | 63.6 | Low | 77 Ų | 77 | 122 Ų | 122 | 79% | 0.794 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 120.3 | -5.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | V171 | V171-G173 PolarHBondContact O-N 3.2Š|
| 174 | L | 60.2 | Low | 60.9 | Low | 120 Ų | 120 | 119.3 Ų | 119.3 | 63% | 0.628 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -88.9 | -9.4 | 178.6 | -96.7 | 102.1 | 0 | 0 | 0 | 115.5 | V171 | V171-L174 HydrophobicContact CB-CD1 4.35Å; V171-L174 HydrophobicContact CG1-CD1 3.58Å |
| 175 | L | 53.3 | Low | 58.5 | Low | 122 Ų | 122 | 123.6 Ų | 123.6 | 64% | 0.639 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -121.3 | 117.5 | 179 | -60.5 | 177.8 | 0 | 0 | 0 | 110.7 | G177 | L175-G177 PolarHBondContact O-N 3.47Š|
| 176 | P | 46 | Very low | 56 | Low | 131 Ų | 131 | 124.7 Ų | 124.7 | 85% | 0.851 | 71% | 0.707 | S | S | * | * | trans | -64.8 | 106.8 | 173 | -17.5 | 29.8 | 0 | 0 | 0 | 110.5 | ||||
| 177 | G | 47.8 | Very low | 53.8 | Low | 71 Ų | 71 | 128.5 Ų | 128.5 | 73% | 0.732 | 73% | 0.726 | S | S | * | * | trans | 37.7 | 92.2 | 152.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | L175 | L175-G177 PolarHBondContact O-N 3.47Š| ||
| 178 | K | 46.4 | Very low | 51.5 | Low | 192 Ų | 192 | 131.5 Ų | 131.5 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | trans | -99 | 100.3 | 148.8 | -76.6 | -171.7 | 177.6 | -179.2 | 0 | 109.3 | M180 | K178-M180 PolarHBondContact O-N 3.41Š| ||
| 179 | R | 40.4 | Very low | 49.4 | Very low | 243 Ų | 243 | 138.5 Ų | 138.5 | 92% | 0.917 | 77% | 0.765 | S | S | * | * | trans | -56.6 | 118.8 | 164 | -60.4 | 179.3 | -159.6 | 176.2 | 4.9 | 107.7 | A181 | R179-A181 PolarHBondContact O-N 3.27Š| ||
| 180 | M | 39.8 | Very low | 47.8 | Very low | 163 Ų | 163 | 141.4 Ų | 141.4 | 80% | 0.803 | 78% | 0.775 | S | S | * | * | trans | -68.6 | 107.6 | 170.1 | -72.9 | -82.9 | 108.9 | 0 | 0 | 108.6 | K178 | K178-M180 PolarHBondContact O-N 3.41Š| ||
| 181 | A | 38.5 | Very low | 45.7 | Very low | 92 Ų | 92 | 138.3 Ų | 138.3 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -81.4 | 110.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | R179 | R179-A181 PolarHBondContact O-N 3.27Š| ||
| 182 | K | 39.9 | Very low | 44.1 | Very low | 204 Ų | 204 | 140.3 Ų | 140.3 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | trans | -74.8 | 120.3 | 166 | -67.7 | 177 | 179.5 | 175.5 | 0 | 107.7 | ||||
| 183 | S | 37.8 | Very low | 43 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -152.1 | 107.5 | 158.3 | 26.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 184 | A | 35.6 | Very low | 41.8 | Very low | 83 Ų | 83 | 151.4 Ų | 151.4 | 69% | 0.686 | 80% | 0.803 | S | S | * | * | trans | 54.6 | 105.4 | 139 | 0 | 0 | 0 | 0 | 0 | 119.4 | T186 | A184-T186 PolarHBondContact O-N 3.01Š| ||
| 185 | L | 43.7 | Very low | 41.1 | Very low | 176 Ų | 176 | 150.4 Ų | 150.4 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -48.3 | 112.8 | 145.3 | 177.5 | 70.2 | 0 | 0 | 0 | 110.1 | ||||
| 186 | T | 37.9 | Very low | 40.6 | Very low | 115 Ų | 115 | 150.9 Ų | 150.9 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | trans | -144.9 | 114.1 | 159.7 | 40.3 | 0 | 0 | 0 | 0 | 110.5 | A184 | A184-T186 PolarHBondContact O-N 3.01Š| ||
| 187 | T | 41.3 | Very low | 40.3 | Very low | 123 Ų | 123 | 156.1 Ų | 156.1 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | trans | 50.4 | 108 | 148.3 | 23.9 | 0 | 0 | 0 | 0 | 120 | R189 | T187-R189 PolarHBondContact O-N 3.46Š| ||
| 188 | L | 41.3 | Very low | 40.1 | Very low | 171 Ų | 171 | 161.2 Ų | 161.2 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | trans | -32.1 | 117 | 148.1 | -99.7 | 127.9 | 0 | 0 | 0 | 111.7 | ||||
| 189 | R | 36.1 | Very low | 39.8 | Very low | 238 Ų | 238 | 158.3 Ų | 158.3 | 90% | 0.898 | 82% | 0.822 | S | S | * | * | trans | -112.9 | 110.7 | 158.3 | -78.2 | -168.1 | 166.5 | -148.1 | -2.9 | 108.4 | T187 A191 | T187-R189 PolarHBondContact O-N 3.46Å; R189-A191 PolarHBondContact O-N 3.06Å | ||
| 190 | Q | 43 | Very low | 39.7 | Very low | 183 Ų | 183 | 158.5 Ų | 158.5 | 86% | 0.855 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 131.5 | 171.3 | -69.5 | 172.9 | -12.6 | 0 | 0 | 110.1 | ||
| 191 | A | 34.3 | Very low | 39.8 | Very low | 91 Ų | 91 | 154.2 Ų | 154.2 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 140.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109 | R189 E193 | R189-A191 PolarHBondContact O-N 3.06Å; A191-E193 PolarHBondContact O-N 3.27Å |
| 192 | P | 40.2 | Very low | 39.9 | Very low | 116 Ų | 116 | 156 Ų | 156 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 127.5 | -178.2 | 27.8 | -30.9 | 0 | 0 | 0 | 110.3 | R194 | P192-R194 PolarHBondContact O-N 2.92Š|
| 193 | E | 38.4 | Very low | 40.2 | Very low | 198 Ų | 198 | 157.9 Ų | 157.9 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 125.1 | 166 | -87 | -165.1 | 135 | 0 | 0 | 109.9 | A191 | A191-E193 PolarHBondContact O-N 3.27Š|
| 194 | R | 36.5 | Very low | 40.6 | Very low | 238 Ų | 238 | 163.5 Ų | 163.5 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 124.9 | 166 | -78.5 | -176.4 | 171.9 | 172.4 | -0.3 | 108.5 | P192 | P192-R194 PolarHBondContact O-N 2.92Š|
| 195 | S | 45.8 | Very low | 41 | Very low | 100 Ų | 100 | 163.5 Ų | 163.5 | 70% | 0.699 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 153.5 | 177.7 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | R197 | S195-R197 PolarHBondContact O-N 3.41Å; S195-R197 VanDerWaalsContact O-N 3.16Å |
| 196 | P | 41.4 | Very low | 41.3 | Very low | 131 Ų | 131 | 160.9 Ų | 160.9 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | trans | -69.4 | 115.1 | -177.5 | 27 | -31.4 | 0 | 0 | 0 | 110.2 | ||||
| 197 | R | 40.1 | Very low | 41.8 | Very low | 241 Ų | 241 | 163.5 Ų | 163.5 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | trans | -74.4 | 134.3 | 167.7 | -79.5 | -175.4 | 174.7 | -144 | -2 | 109.5 | S195 | S195-R197 PolarHBondContact O-N 3.41Å; S195-R197 VanDerWaalsContact O-N 3.16Å | ||
| 198 | K | 44.8 | Very low | 42 | Very low | 179 Ų | 179 | 167.5 Ų | 167.5 | 78% | 0.778 | 83% | 0.826 | S | S | * | * | trans | -49.8 | 145.7 | 174.7 | -61.4 | -177.2 | 178.8 | -170.6 | 0 | 111.8 | W200 | K198-W200 PolarHBondContact O-N 3.44Å; K198-W200 VanDerWaalsContact O-N 3.13Å | ||
| 199 | P | 38.8 | Very low | 42.7 | Very low | 131 Ų | 131 | 166.1 Ų | 166.1 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -73.1 | 108.9 | -175.9 | 23.9 | -22.8 | 0 | 0 | 0 | 110 | ||||
| 200 | W | 37.9 | Very low | 43.4 | Very low | 247 Ų | 247 | 161.2 Ų | 161.2 | 94% | 0.936 | 81% | 0.81 | S | S | * | * | trans | -82.1 | 131.1 | 166.8 | -79.6 | 48.1 | 0 | 0 | 0 | 108.3 | K198 V202 | K198-W200 PolarHBondContact O-N 3.44Å; K198-W200 VanDerWaalsContact O-N 3.13Å; W200-V202 PolarHBondContact O-N 2.66Å | ||
| 201 | G | 43.5 | Very low | 44.1 | Very low | 72 Ų | 72 | 157.7 Ų | 157.7 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | -45.8 | 128.5 | -164.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | R203 | G201-R203 PolarHBondContact O-N 3.23Å; G201-R203 VanDerWaalsContact O-N 3.15Å | ||
| 202 | V | 39.9 | Very low | 44.8 | Very low | 130 Ų | 130 | 158.3 Ų | 158.3 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | trans | -48.9 | 114.9 | 160.9 | 177.7 | 0 | 0 | 0 | 0 | 108.1 | W200 R204 | W200-V202 PolarHBondContact O-N 2.66Å; V202-R204 VanDerWaalsContact C-N 3.3Å; V202-R204 HydrophobicContact CG1-CG 4.39Å; V202-R204 PolarHBondContact O-N 3.11Å | ||
| 203 | R | 46.2 | Very low | 45.2 | Very low | 244 Ų | 244 | 162.8 Ų | 162.8 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -67 | 101.2 | 158 | -66.7 | -164.3 | -143.2 | -149.8 | 7 | 105.6 | G201 A205 | G201-R203 PolarHBondContact O-N 3.23Å; G201-R203 VanDerWaalsContact O-N 3.15Å; R203-A205 PolarHBondContact O-N 2.95Å; R203-A205 VanDerWaalsContact O-N 3.15Å | ||
| 204 | R | 45.9 | Very low | 45.8 | Very low | 227 Ų | 227 | 157.8 Ų | 157.8 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 117.5 | 169.2 | -64.3 | -175.7 | -161 | -162 | 2.9 | 106.7 | V202 | V202-R204 VanDerWaalsContact C-N 3.3Å; V202-R204 HydrophobicContact CG1-CG 4.39Å; V202-R204 PolarHBondContact O-N 3.11Å |
| 205 | A | 45.2 | Very low | 46.6 | Very low | 82 Ų | 82 | 158.4 Ų | 158.4 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 134.7 | 157.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | R203 E207 | R203-A205 PolarHBondContact O-N 2.95Å; R203-A205 VanDerWaalsContact O-N 3.15Å; A205-E207 PolarHBondContact O-N 3.42Å; A205-E207 VanDerWaalsContact O-N 3.13Å |
| 206 | P | 49 | Very low | 46.7 | Very low | 121 Ų | 121 | 158.4 Ų | 158.4 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -59 | 123.5 | 170.5 | 24.1 | -28.8 | 0 | 0 | 0 | 106.8 | R208 | P206-R208 PolarHBondContact O-N 3.27Š|
| 207 | E | 47.5 | Very low | 47 | Very low | 170 Ų | 170 | 161.8 Ų | 161.8 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -58.6 | 91.7 | 168.9 | -83.7 | 178.8 | 156.9 | 0 | 0 | 107.6 | A205 L209 | A205-E207 PolarHBondContact O-N 3.42Å; A205-E207 VanDerWaalsContact O-N 3.13Å; E207-L209 HydrophobicContact CB-CD2 4.22Å; E207-L209 HydrophobicContact CB-CG 4.33Å; E207-L209 PolarHBondContact O-N 2.96Å; E207-L209 VanDerWaalsContact O-N 3.07Å | ||
| 208 | R | 46.5 | Very low | 47.4 | Very low | 207 Ų | 207 | 154.2 Ų | 154.2 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | trans | -76.6 | 91.4 | 163.8 | -172.7 | -177.9 | -89.2 | 156.3 | -7.9 | 104.6 | P206 L210 | P206-R208 PolarHBondContact O-N 3.27Å; R208-L210 WeakPolarHBondContact CG-O 3.27Å; R208-L210 PolarHBondContact O-N 3.14Å | ||
| 209 | L | 55 | Low | 47.7 | Very low | 143 Ų | 143 | 154.4 Ų | 154.4 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | -63.4 | 7.3 | -177 | -69.5 | 174.2 | 0 | 0 | 0 | 114.4 | E207 | E207-L209 HydrophobicContact CB-CD2 4.22Å; E207-L209 HydrophobicContact CB-CG 4.33Å; E207-L209 PolarHBondContact O-N 2.96Å; E207-L209 VanDerWaalsContact O-N 3.07Å | ||
| 210 | L | 51.1 | Low | 47.9 | Very low | 134 Ų | 134 | 153.3 Ų | 153.3 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -146.1 | 133.3 | 171.7 | -65.6 | 174.2 | 0 | 0 | 0 | 111.4 | R208 | R208-L210 WeakPolarHBondContact CG-O 3.27Å; R208-L210 PolarHBondContact O-N 3.14Å |
| 211 | P | 58.5 | Low | 48.5 | Very low | 110 Ų | 110 | 149.4 Ų | 149.4 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | trans | -54.9 | 153.5 | 165.6 | -21.2 | 31.7 | 0 | 0 | 0 | 111.3 | R213 | P211-R213 PolarHBondContact O-N 3.35Å; P211-R213 VanDerWaalsContact O-N 3.09Å | ||
| 212 | P | 49.5 | Very low | 49 | Very low | 104 Ų | 104 | 149 Ų | 149 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | trans | -52.6 | 121.3 | 168.2 | -20.2 | 31.3 | 0 | 0 | 0 | 109 | T214 | P212-T214 PolarHBondContact O-N 3.4Š| ||
| 213 | R | 47.3 | Very low | 49.5 | Very low | 210 Ų | 210 | 148.3 Ų | 148.3 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | trans | -61.4 | 101.7 | -178.8 | -173 | 168.3 | 177.1 | 147.8 | 0 | 108.6 | P211 R217 | P211-R213 PolarHBondContact O-N 3.35Å; P211-R213 VanDerWaalsContact O-N 3.09Å; R213-R217 PolarHBondContact NH2-O 2.78Å | ||
| 214 | T | 51 | Low | 49.6 | Very low | 93 Ų | 93 | 142.6 Ų | 142.6 | 57% | 0.571 | 74% | 0.741 | S | S | * | * | trans | -68.8 | 147 | 171.1 | 54.7 | 0 | 0 | 0 | 0 | 108.8 | P212 S216 R217 | P212-T214 PolarHBondContact O-N 3.4Å; T214-S216 PolarHBondContact O-N 2.84Å; T214-S216 PolarHBondContact OG1-OG 3.21Å; T214-R217 PolarHBondContact O-N 3.33Å | ||
| 215 | R | 54.6 | Low | 49.9 | Very low | 250 Ų | 250 | 136.4 Ų | 136.4 | 94% | 0.943 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -10.3 | -176.7 | -164.3 | 178.7 | -178.4 | -154.5 | 1.7 | 114.7 | ||
| 216 | S | 47.1 | Very low | 50.2 | Low | 100 Ų | 100 | 137.8 Ų | 137.8 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 3.8 | -175.3 | 53.4 | 0 | 0 | 0 | 0 | 116 | T214 | T214-S216 PolarHBondContact O-N 2.84Å; T214-S216 PolarHBondContact OG1-OG 3.21Å |
| 217 | R | 47 | Very low | 50 | Low | 202 Ų | 202 | 137.2 Ų | 137.2 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | trans | -118.8 | 50.1 | 178.8 | -71.8 | -163.9 | 137.8 | -167.6 | -4.2 | 114.6 | R213 T214 | R213-R217 PolarHBondContact NH2-O 2.78Å; T214-R217 PolarHBondContact O-N 3.33Å | ||
| 218 | S | 48.7 | Very low | 50.2 | Low | 82 Ų | 82 | 134.6 Ų | 134.6 | 57% | 0.573 | 73% | 0.728 | S | S | * | * | trans | -99.8 | 82.9 | 154 | 56.5 | 0 | 0 | 0 | 0 | 108.2 | V220 | S218-V220 PolarHBondContact O-N 3.39Š| ||
| 219 | Q | 51.5 | Low | 50.2 | Low | 183 Ų | 183 | 133 Ų | 133 | 86% | 0.855 | 73% | 0.729 | S | S | * | * | trans | -76.2 | 86.6 | 158.4 | -163.7 | 171 | 16.3 | 0 | 0 | 105.7 | ||||
| 220 | V | 44.3 | Very low | 49.8 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 66% | 0.655 | 74% | 0.737 | S | S | * | * | trans | -112.9 | 114.9 | 163.9 | -77.5 | 0 | 0 | 0 | 0 | 105 | S218 A222 | S218-V220 PolarHBondContact O-N 3.39Å; V220-A222 PolarHBondContact O-N 3.48Å | ||
| 221 | D | 49.1 | Very low | 49.4 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | trans | -69.4 | 62.5 | 172.6 | -73.8 | -54.6 | 0 | 0 | 0 | 110.1 | ||||
| 222 | A | 54.1 | Low | 49.1 | Very low | 65 Ų | 65 | 136.7 Ų | 136.7 | 54% | 0.537 | 74% | 0.744 | S | S | . | * | trans | -106.5 | 139.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | V220 | V220-A222 PolarHBondContact O-N 3.48Š| ||
| 223 | P | 50.7 | Low | 49.7 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | trans | -50.4 | 141.3 | 167.8 | -18.5 | 29.2 | 0 | 0 | 0 | 108.2 | S225 | P223-S225 PolarHBondContact O-N 2.77Š| ||
| 224 | P | 47.7 | Very low | 51.1 | Low | 124 Ų | 124 | 133.5 Ų | 133.5 | 81% | 0.805 | 73% | 0.73 | S | S | * | * | trans | -55.5 | 109.7 | 173.8 | 23.6 | -30.9 | 0 | 0 | 0 | 106.6 | ||||
| 225 | S | 51.8 | Low | 52.4 | Low | 98 Ų | 98 | 134.4 Ų | 134.4 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 133 | 161.2 | 42 | 0 | 0 | 0 | 0 | 105.6 | P223 | P223-S225 PolarHBondContact O-N 2.77Š|
| 226 | P | 52.9 | Low | 53.8 | Low | 110 Ų | 110 | 122.9 Ų | 122.9 | 71% | 0.714 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 136.7 | 177.3 | 20.6 | -31.2 | 0 | 0 | 0 | 107.2 | P228 | P226-P228 VanDerWaalsContact O-N 3.16Š|
| 227 | P | 43.6 | Very low | 55.5 | Low | 109 Ų | 109 | 120.4 Ų | 120.4 | 71% | 0.708 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 133.3 | 172.7 | 22.6 | -31.7 | 0 | 0 | 0 | 106 | E229 | P227-E229 PolarHBondContact O-N 3.33Š|
| 228 | P | 52 | Low | 57.2 | Low | 115 Ų | 115 | 112.4 Ų | 112.4 | 75% | 0.747 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 122.8 | 170.1 | 21 | -29.1 | 0 | 0 | 0 | 104.8 | P226 E230 | P226-P228 VanDerWaalsContact O-N 3.16Å; P228-E230 PolarHBondContact O-N 3.44Å |
| 229 | E | 46.2 | Very low | 58.8 | Low | 173 Ų | 173 | 109 Ų | 109 | 81% | 0.808 | 61% | 0.614 | S | S | * | * | trans | -38.8 | 129.9 | -175.8 | -62.3 | -170.5 | 159.6 | 0 | 0 | 107.1 | P227 D231 | P227-E229 PolarHBondContact O-N 3.33Å; E229-D231 PolarHBondContact O-N 2.89Å | ||
| 230 | E | 47.9 | Very low | 60.2 | Low | 194 Ų | 194 | 105.7 Ų | 105.7 | 91% | 0.907 | 59% | 0.594 | S | S | * | * | trans | -44.4 | 97.6 | 177.9 | -84.2 | -178.2 | 131.4 | 0 | 0 | 107.8 | P228 T232 | P228-E230 PolarHBondContact O-N 3.44Å; E230-T232 PolarHBondContact O-N 3.42Å | ||
| 231 | D | 42 | Very low | 61.9 | Low | 143 Ų | 143 | 106.6 Ų | 106.6 | 77% | 0.765 | 59% | 0.589 | S | S | * | * | trans | -58.9 | 103.8 | 173.3 | -91.2 | -38.5 | 0 | 0 | 0 | 102 | E229 E233 | E229-D231 PolarHBondContact O-N 2.89Å; D231-E233 WeakPolarHBondContact O-CA 3.47Å; D231-E233 PolarHBondContact O-N 3.16Å | ||
| 232 | T | 53.1 | Low | 62.9 | Low | 129 Ų | 129 | 101.1 Ų | 101.1 | 79% | 0.791 | 56% | 0.559 | S | S | * | * | trans | -37.1 | 108.9 | 172.4 | 47.9 | 0 | 0 | 0 | 0 | 106.2 | E230 D234 | E230-T232 PolarHBondContact O-N 3.42Å; T232-D234 WeakPolarHBondContact O-CA 3.48Å; T232-D234 PolarHBondContact O-N 3.22Å | ||
| 233 | E | 60.6 | Low | 63.2 | Low | 187 Ų | 187 | 102.9 Ų | 102.9 | 87% | 0.874 | 57% | 0.565 | S | S | * | * | trans | -36.6 | 109.6 | -164.3 | -64.5 | 178.8 | 163.8 | 0 | 0 | 109 | D231 K235 | D231-E233 WeakPolarHBondContact O-CA 3.47Å; D231-E233 PolarHBondContact O-N 3.16Å; E233-K235 WeakPolarHBondContact O-CA 3.28Å; E233-K235 PolarHBondContact O-N 3.1Å | ||
| 234 | D | 76.7 | Confident | 63.5 | Low | 59 Ų | 59 | 103.3 Ų | 103.3 | 32% | 0.316 | 56% | 0.561 | S | S | . | * | trans | -51.7 | 107.2 | -168.7 | 170.8 | 8.9 | 0 | 0 | 0 | 107.8 | T232 F236 S237 R240 | T232-D234 WeakPolarHBondContact O-CA 3.48Å; T232-D234 PolarHBondContact O-N 3.22Å; D234-F236 PolarHBondContact O-N 3.18Å; D234-F236 PolarHBondContact OD1-N 3.32Å; D234-S237 WeakPolarHBondContact O-CB 3.35Å; D234-S237 PolarHBondContact O-N 2.88Å; D234-S237 PolarHBondContact O-OG 3.44Å; D234-R240 IonicContact OD1-CZ 3.9Å; D234-R240 IonicContact OD1-NH1 3.03Å; D234-R240 PolarHBondContact OD1-NH1 3.19Å; D234-R240 WeakPolarHBondContact OD2-CD 3.39Å; D234-R240 IonicContact OD2-CZ 3.94Å; D234-R240 IonicContact OD2-NE 2.7Å; D234-R240 IonicContact OD2-NH1 3.83Å; D234-R240 PolarHBondContact OD2-NH1 3.21Å | ||
| 235 | K | 79.6 | Confident | 63.7 | Low | 112 Ų | 112 | 105 Ų | 105 | 49% | 0.487 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.9 | -25.6 | -171.6 | -179.3 | -176.5 | 168.5 | -158.5 | 0 | 110.4 | E233 E394 | E233-K235 WeakPolarHBondContact O-CA 3.28Å; E233-K235 PolarHBondContact O-N 3.1Å; K235-E394 WeakPolarHBondContact CE-OE2 3.4Å; K235-E394 IonicContact NZ-OE2 2.78Å; K235-E394 PolarHBondContact NZ-OE2 2.94Å |
| 236 | F | 82.8 | Confident | 63.6 | Low | 8 Ų | 8 | 107 Ų | 107 | 4% | 0.035 | 55% | 0.552 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -107.1 | 8.7 | -177.9 | -52.9 | -73.8 | 0 | 0 | 0 | 114.5 | D234 L238 V239 R240 L391 E394 L395 E398 | D234-F236 PolarHBondContact O-N 3.18Å; D234-F236 PolarHBondContact OD1-N 3.32Å; F236-L238 PolarHBondContact O-N 2.82Å; F236-L238 VanDerWaalsContact O-N 3.14Å; F236-V239 WeakPolarHBondContact O-CA 3.43Å; F236-V239 PolarHBondContact O-N 3.06Å; F236-R240 HydrophobicContact CB-CG 4.31Å; F236-R240 WeakPolarHBondContact O-CG 3.38Å; F236-R240 PolarHBondContact O-N 3.31Å; F236-L391 WeakPolarHBondContact CD1-O 3.38Å; F236-L391 WeakPolarHBondContact CE1-O 3.41Å; F236-E394 HydrophobicContact CE1-CB 3.69Å; F236-E394 HydrophobicContact CZ-CB 4.08Å; F236-L395 HydrophobicContact CB-CB 4.48Å; F236-L395 HydrophobicContact CB-CD1 3.48Å; F236-L395 VanDerWaalsContact CB-CD1 3.48Å; F236-L395 HydrophobicContact CD1-CB 3.71Å; F236-L395 HydrophobicContact CD1-CD1 4.3Å; F236-L395 HydrophobicContact CE1-CB 4.05Å; F236-L395 HydrophobicContact CG-CB 4.04Å; F236-L395 HydrophobicContact CG-CD1 3.87Å; F236-L395 HydrophobicContact CG-CG 4.43Å; F236-E398 WeakPolarHBondContact CE2-OE2 3.5Å; F236-E398 VanDerWaalsContact CZ-OE1 3.31Å; F236-E398 WeakPolarHBondContact CZ-OE1 3.11Å; F236-E398 WeakPolarHBondContact CZ-OE2 3.24Å |
| 237 | S | 83.4 | Confident | 63.4 | Low | 49 Ų | 49 | 110.2 Ų | 110.2 | 34% | 0.343 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -52.8 | -34.4 | 174.3 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | D234 V239 | D234-S237 WeakPolarHBondContact O-CB 3.35Å; D234-S237 PolarHBondContact O-N 2.88Å; D234-S237 PolarHBondContact O-OG 3.44Å; S237-V239 PolarHBondContact O-N 3.3Å |
| 238 | L | 82.4 | Confident | 63.4 | Low | 34 Ų | 34 | 111 Ų | 111 | 18% | 0.178 | 56% | 0.555 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -72.3 | -6 | 175.7 | -69.2 | 176.5 | 0 | 0 | 0 | 114.2 | F236 R361 L372 L388 | F236-L238 PolarHBondContact O-N 2.82Å; F236-L238 VanDerWaalsContact O-N 3.14Å; L238-R361 PolarHBondContact O-NH1 2.9Å; L238-R361 PolarHBondContact O-NH2 2.94Å; L238-L372 HydrophobicContact CD1-CD1 3.93Å; L238-L372 HydrophobicContact CD1-CD2 3.76Å; L238-L372 HydrophobicContact CD1-CG 4.27Å; L238-L372 HydrophobicContact CD2-CD1 4.39Å; L238-L388 HydrophobicContact CB-CD2 4.13Å |
| 239 | V | 82.6 | Confident | 63.3 | Low | 9 Ų | 9 | 113.8 Ų | 113.8 | 6% | 0.055 | 56% | 0.564 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -118.6 | -40.8 | -178.1 | 169.4 | 0 | 0 | 0 | 0 | 111.4 | F236 S237 R366 L391 K392 | F236-V239 WeakPolarHBondContact O-CA 3.43Å; F236-V239 PolarHBondContact O-N 3.06Å; S237-V239 PolarHBondContact O-N 3.3Å; V239-R366 PolarHBondContact O-NH1 3.15Å; V239-L391 HydrophobicContact CG2-CB 3.6Å; V239-L391 HydrophobicContact CG2-CD1 4.39Å; V239-K392 HydrophobicContact CB-CG 4.2Å; V239-K392 HydrophobicContact CG1-CB 4.19Å; V239-K392 HydrophobicContact CG1-CD 4.33Å; V239-K392 HydrophobicContact CG1-CG 3.23Å; V239-K392 HydrophobicContact CG2-CG 3.9Å |
| 240 | R | 82.1 | Confident | 63.6 | Low | 115 Ų | 115 | 111 Ų | 111 | 43% | 0.434 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -59.5 | 150.2 | 179 | -72.1 | 176.9 | 177.4 | 174.4 | -2.9 | 111.3 | D234 F236 L395 | D234-R240 IonicContact OD1-CZ 3.9Å; D234-R240 IonicContact OD1-NH1 3.03Å; D234-R240 PolarHBondContact OD1-NH1 3.19Å; D234-R240 WeakPolarHBondContact OD2-CD 3.39Å; D234-R240 IonicContact OD2-CZ 3.94Å; D234-R240 IonicContact OD2-NE 2.7Å; D234-R240 IonicContact OD2-NH1 3.83Å; D234-R240 PolarHBondContact OD2-NH1 3.21Å; F236-R240 HydrophobicContact CB-CG 4.31Å; F236-R240 WeakPolarHBondContact O-CG 3.38Å; F236-R240 PolarHBondContact O-N 3.31Å; R240-L395 HydrophobicContact CG-CD1 3.58Å |
| 241 | K | 80 | Confident | 63.6 | Low | 127 Ų | 127 | 106.5 Ų | 106.5 | 55% | 0.552 | 54% | 0.538 | S | S | * | . | B | Isolated β-bridge | trans | -71.7 | 145.7 | 164.7 | -75.3 | -178.9 | 176.4 | 179.4 | 0 | 107.9 | P243 G365 | K241-P243 WeakPolarHBondContact O-CD 3.4Å; K241-G365 CarbonylContact C-O 3.59Å; K241-G365 VanDerWaalsContact CA-O 3.31Å; K241-G365 WeakPolarHBondContact CA-O 3.27Å |
| 242 | N | 68.5 | Low | 64.2 | Low | 49 Ų | 49 | 105.4 Ų | 105.4 | 26% | 0.262 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 121.9 | -177.5 | -149.1 | 21.9 | 0 | 0 | 0 | 108.7 | D244 Y245 G365 | N242-D244 VanDerWaalsContact C-N 3.26Å; N242-D244 PolarHBondContact O-N 3.19Å; N242-Y245 HydrophobicContact CB-CD2 4.03Å; N242-Y245 PolarHBondContact O-N 3.43Å; N242-Y245 VanDerWaalsContact O-N 3.17Å; N242-G365 PolarHBondContact N-O 2.91Å |
| 243 | P | 60.6 | Low | 64 | Low | 102 Ų | 102 | 108.4 Ų | 108.4 | 66% | 0.662 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -59.2 | -35.9 | -177.1 | -24.8 | 34.4 | 0 | 0 | 0 | 113.3 | K241 Y245 E246 | K241-P243 WeakPolarHBondContact O-CD 3.4Å; P243-Y245 PolarHBondContact O-N 3.08Å; P243-E246 PolarHBondContact O-N 3.02Å |
| 244 | D | 56.5 | Low | 63.3 | Low | 124 Ų | 124 | 110.7 Ų | 110.7 | 66% | 0.663 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -60.1 | -13.9 | 178.5 | -72.3 | -32.5 | 0 | 0 | 0 | 114.6 | N242 | N242-D244 VanDerWaalsContact C-N 3.26Å; N242-D244 PolarHBondContact O-N 3.19Å |
| 245 | Y | 51.8 | Low | 61.8 | Low | 159 Ų | 159 | 116.2 Ų | 116.2 | 62% | 0.624 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -95.7 | -5.2 | 177.1 | -85 | -93.7 | 0 | 0 | 0 | 113.5 | N242 P243 | N242-Y245 HydrophobicContact CB-CD2 4.03Å; N242-Y245 PolarHBondContact O-N 3.43Å; N242-Y245 VanDerWaalsContact O-N 3.17Å; P243-Y245 PolarHBondContact O-N 3.08Å |
| 246 | E | 51.4 | Low | 60 | Low | 141 Ų | 141 | 115.6 Ų | 115.6 | 66% | 0.659 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -13.9 | 178.4 | -63.9 | -110.7 | 150.8 | 0 | 0 | 112.6 | P243 | P243-E246 PolarHBondContact O-N 3.02Š|
| 247 | E | 48.4 | Very low | 58.3 | Low | 176 Ų | 176 | 118 Ų | 118 | 82% | 0.822 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -85.6 | -19.2 | -176.3 | -159.6 | 170.3 | -163.7 | 0 | 0 | 113.8 | ||
| 248 | D | 43.4 | Very low | 56.6 | Low | 127 Ų | 127 | 119.9 Ų | 119.9 | 68% | 0.679 | 59% | 0.59 | S | S | * | * | trans | -102.1 | 102.1 | 170.8 | -80.2 | -47 | 0 | 0 | 0 | 109.7 | E250 | D248-E250 HydrophobicContact CB-CB 4.32Å; D248-E250 PolarHBondContact O-N 2.75Å | ||
| 249 | D | 49.3 | Very low | 55.1 | Low | 172 Ų | 172 | 125.6 Ų | 125.6 | 92% | 0.92 | 61% | 0.609 | S | S | * | * | trans | -60.5 | 33.2 | 158.3 | -91.1 | -50.5 | 0 | 0 | 0 | 111.8 | P251 | D249-P251 VanDerWaalsContact O-CD 3.3Å; D249-P251 WeakPolarHBondContact O-CD 2.98Å | ||
| 250 | E | 52.9 | Low | 53.9 | Low | 115 Ų | 115 | 134 Ų | 134 | 54% | 0.537 | 65% | 0.647 | S | S | . | * | trans | -76 | 112 | 171.2 | -156.4 | 179.3 | -145.4 | 0 | 0 | 106.6 | D248 R253 | D248-E250 HydrophobicContact CB-CB 4.32Å; D248-E250 PolarHBondContact O-N 2.75Å; E250-R253 IonicContact OE1-NH2 3.44Å; E250-R253 PolarHBondContact OE1-NH2 3.03Å; E250-R253 IonicContact OE2-CZ 3.58Å; E250-R253 IonicContact OE2-NE 3.39Å; E250-R253 PolarHBondContact OE2-NE 2.89Å; E250-R253 IonicContact OE2-NH2 2.89Å; E250-R253 PolarHBondContact OE2-NH2 2.45Å | ||
| 251 | P | 48.5 | Very low | 52.6 | Low | 100 Ų | 100 | 138.7 Ų | 138.7 | 65% | 0.649 | 67% | 0.665 | S | S | * | * | trans | -53.3 | 134.4 | -178.6 | 21.7 | -32.8 | 0 | 0 | 0 | 108 | D249 R253 | D249-P251 VanDerWaalsContact O-CD 3.3Å; D249-P251 WeakPolarHBondContact O-CD 2.98Å; P251-R253 PolarHBondContact O-N 3.05Å | ||
| 252 | P | 53.1 | Low | 52 | Low | 120 Ų | 120 | 135.2 Ų | 135.2 | 78% | 0.779 | 66% | 0.655 | S | S | * | * | trans | -50.9 | 112.4 | -174.6 | 17 | -29.3 | 0 | 0 | 0 | 106.7 | R254 | P252-R254 PolarHBondContact O-N 3.28Š| ||
| 253 | R | 48.7 | Very low | 51.9 | Low | 192 Ų | 192 | 139.7 Ų | 139.7 | 73% | 0.725 | 68% | 0.677 | S | S | * | * | trans | -45.3 | 112.1 | -174.2 | -70.5 | -179.8 | -163.6 | -140.7 | -5.8 | 105.1 | E250 P251 F255 | E250-R253 IonicContact OE1-NH2 3.44Å; E250-R253 PolarHBondContact OE1-NH2 3.03Å; E250-R253 IonicContact OE2-CZ 3.58Å; E250-R253 IonicContact OE2-NE 3.39Å; E250-R253 PolarHBondContact OE2-NE 2.89Å; E250-R253 IonicContact OE2-NH2 2.89Å; E250-R253 PolarHBondContact OE2-NH2 2.45Å; P251-R253 PolarHBondContact O-N 3.05Å; R253-F255 PolarHBondContact O-N 3.1Å | ||
| 254 | R | 46.8 | Very low | 52.5 | Low | 235 Ų | 235 | 139.8 Ų | 139.8 | 89% | 0.887 | 68% | 0.678 | S | S | * | * | trans | -57 | 98.3 | 180 | -80.6 | -176.2 | -178.8 | 178.1 | 1.2 | 104.2 | P252 C256 | P252-R254 PolarHBondContact O-N 3.28Å; R254-C256 PolarHBondContact O-N 3.42Å | ||
| 255 | F | 46.3 | Very low | 53.7 | Low | 175 Ų | 175 | 135.5 Ų | 135.5 | 77% | 0.768 | 65% | 0.654 | S | S | * | * | trans | -75.9 | 83.3 | 173.3 | -154.6 | -89.7 | 0 | 0 | 0 | 102.3 | R253 C257 | R253-F255 PolarHBondContact O-N 3.1Å; F255-C257 HydrophobicContact CD1-CB 3.66Å; F255-C257 HydrophobicContact CE1-CB 3.85Å; F255-C257 PolarHBondContact O-N 3.32Å; F255-C257 PolarHBondContact O-SG 3.01Å | ||
| 256 | C | 40.3 | Very low | 55.2 | Low | 98 Ų | 98 | 133.1 Ų | 133.1 | 66% | 0.662 | 66% | 0.655 | S | S | * | * | trans | -60.7 | 72.2 | 150.2 | -66.1 | 0 | 0 | 0 | 0 | 105 | R254 N258 | R254-C256 PolarHBondContact O-N 3.42Å; C256-N258 VanDerWaalsContact C-N 3.28Å; C256-N258 PolarHBondContact O-N 3.31Å | ||
| 257 | C | 47.1 | Very low | 56.8 | Low | 58 Ų | 58 | 129.1 Ų | 129.1 | 39% | 0.392 | 64% | 0.641 | S | S | . | * | trans | -50.8 | 113.6 | 147.5 | 37.9 | 0 | 0 | 0 | 0 | 102.5 | F255 R259 | F255-C257 HydrophobicContact CD1-CB 3.66Å; F255-C257 HydrophobicContact CE1-CB 3.85Å; F255-C257 PolarHBondContact O-N 3.32Å; F255-C257 PolarHBondContact O-SG 3.01Å; C257-R259 PolarHBondContact O-N 3.35Å | ||
| 258 | N | 47.9 | Very low | 58.6 | Low | 89 Ų | 89 | 124.2 Ų | 124.2 | 48% | 0.476 | 62% | 0.615 | S | S | . | * | trans | -54.9 | 91.1 | 170.9 | -81.7 | 1.7 | 0 | 0 | 0 | 106 | C256 Q260 R261 | C256-N258 VanDerWaalsContact C-N 3.28Å; C256-N258 PolarHBondContact O-N 3.31Å; N258-Q260 PolarHBondContact O-N 3.29Å; N258-R261 HydrophobicContact CB-CB 4.31Å; N258-R261 HydrophobicContact CB-CG 3.95Å; N258-R261 PolarHBondContact O-N 3.28Å | ||
| 259 | R | 51.8 | Low | 60.7 | Low | 155 Ų | 155 | 120.5 Ų | 120.5 | 59% | 0.585 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -57.9 | -24.1 | 178.5 | -158.4 | 176.2 | -167.9 | -126 | 3.6 | 109.3 | C257 R261 T262 E316 | C257-R259 PolarHBondContact O-N 3.35Å; R259-R261 VanDerWaalsContact C-N 3.25Å; R259-R261 PolarHBondContact O-N 3.32Å; R259-T262 PolarHBondContact O-N 3.35Å; R259-T262 PolarHBondContact O-OG1 3.46Å; R259-E316 PolarHBondContact NH2-O 3.45Å |
| 260 | Q | 56.4 | Low | 62.7 | Low | 184 Ų | 184 | 113.5 Ų | 113.5 | 86% | 0.86 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -62.5 | -17.6 | 170.4 | -63.5 | 172.3 | -18 | 0 | 0 | 115 | N258 | N258-Q260 PolarHBondContact O-N 3.29Š|
| 261 | R | 55.8 | Low | 64.4 | Low | 214 Ų | 214 | 115.8 Ų | 115.8 | 81% | 0.808 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -108.6 | -4.9 | 179.3 | -62.8 | -173.7 | 72.5 | 171 | 3.6 | 113.7 | N258 R259 | N258-R261 HydrophobicContact CB-CB 4.31Å; N258-R261 HydrophobicContact CB-CG 3.95Å; N258-R261 PolarHBondContact O-N 3.28Å; R259-R261 VanDerWaalsContact C-N 3.25Å; R259-R261 PolarHBondContact O-N 3.32Å |
| 262 | T | 66.4 | Low | 66.4 | Low | 55 Ų | 55 | 116.3 Ų | 116.3 | 34% | 0.337 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -89.8 | 132.9 | 175 | 47.4 | 0 | 0 | 0 | 0 | 109.4 | R259 | R259-T262 PolarHBondContact O-N 3.35Å; R259-T262 PolarHBondContact O-OG1 3.46Å |
| 263 | I | 67.1 | Low | 68.2 | Low | 142 Ų | 142 | 111.7 Ų | 111.7 | 73% | 0.728 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 126.5 | 174.5 | -60.7 | 168.3 | 0 | 0 | 0 | 107.8 | H265 | I263-H265 PolarHBondContact O-N 2.75Š|
| 264 | P | 72.1 | Confident | 70.4 | Confident | 104 Ų | 104 | 105.6 Ų | 105.6 | 68% | 0.675 | 52% | 0.518 | S | S | * | . | B | Isolated β-bridge | trans | -58.8 | 135.7 | 178.9 | 22.8 | -31.1 | 0 | 0 | 0 | 109.2 | V266 | P264-V266 PolarHBondContact O-N 3.26Å |
| 265 | H | 82.5 | Confident | 72.6 | Confident | 35 Ų | 35 | 99 Ų | 99 | 16% | 0.162 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 117.9 | 176.2 | 177.6 | 63.8 | 0 | 0 | 0 | 108.7 | I263 C312 N314 C317 | I263-H265 PolarHBondContact O-N 2.75Å; H265-C312 PolarHBondContact CE1-O 2.98Å; H265-C312 VanDerWaalsContact CE1-O 3.23Å; H265-C312 PolarHBondContact NE2-O 3.43Å; H265-N314 PolarHBondContact CD2-O 3.14Å; H265-C317 WeakPolarHBondContact CB-O 3.42Å |
| 266 | V | 82.8 | Confident | 74.8 | Confident | 108 Ų | 108 | 95.9 Ų | 95.9 | 66% | 0.655 | 49% | 0.488 | S | S | * | . | trans | -94.6 | 113.3 | 173.9 | -176.7 | 0 | 0 | 0 | 0 | 107.1 | P264 R268 N311 | P264-V266 PolarHBondContact O-N 3.26Å; V266-R268 PolarHBondContact O-N 2.89Å; V266-N311 PolarHBondContact O-ND2 3.19Å | ||
| 267 | V | 86 | Confident | 77.3 | Confident | 58 Ų | 58 | 92.9 Ų | 92.9 | 35% | 0.352 | 46% | 0.464 | S | S | . | . | trans | -72.2 | 110.1 | 171.3 | 179.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 268 | R | 86.1 | Confident | 79.5 | Confident | 73 Ų | 73 | 90.8 Ų | 90.8 | 28% | 0.275 | 45% | 0.449 | S | S | . | . | trans | -92.2 | 122.7 | -179.9 | 176.7 | -178.8 | 174.1 | -171.2 | -2.8 | 108.7 | V266 E272 E277 N311 R313 | V266-R268 PolarHBondContact O-N 2.89Å; R268-E272 HydrophobicContact CG-CB 4.16Å; R268-E272 VanDerWaalsContact CG-OE2 3.31Å; R268-E272 WeakPolarHBondContact CG-OE2 3.29Å; R268-E272 IonicContact NE-OE2 3.68Å; R268-E272 PolarHBondContact NH2-O 3.35Å; R268-E277 IonicContact CZ-OE1 3.67Å; R268-E277 IonicContact CZ-OE2 3.41Å; R268-E277 VanDerWaalsContact NH1-CD 3.35Å; R268-E277 IonicContact NH1-OE1 2.71Å; R268-E277 PolarHBondContact NH1-OE1 3.44Å; R268-E277 IonicContact NH1-OE2 2.72Å; R268-E277 PolarHBondContact NH1-OE2 3.48Å; R268-E277 VanDerWaalsContact NH2-CD 3.31Å; R268-E277 IonicContact NH2-OE1 3.42Å; R268-E277 PolarHBondContact NH2-OE1 3.09Å; R268-E277 VanDerWaalsContact NH2-OE1 3.14Å; R268-E277 IonicContact NH2-OE2 3.14Å; R268-E277 PolarHBondContact NH2-OE2 3.41Å; R268-N311 PolarHBondContact N-OD1 3.42Å; R268-R313 PolarHBondContact O-NH1 3.22Å; R268-R313 PolarHBondContact O-NH2 3.37Å; R268-R313 VanDerWaalsContact O-NH2 3.16Å | ||
| 269 | P | 87.8 | Confident | 81.7 | Confident | 49 Ų | 49 | 92.7 Ų | 92.7 | 32% | 0.318 | 46% | 0.455 | S | S | . | . | trans | -59.5 | 166 | -176.8 | 26.3 | -35.4 | 0 | 0 | 0 | 113.8 | E271 E272 R313 | P269-E271 WeakPolarHBondContact CB-OE2 3.42Å; P269-E272 WeakPolarHBondContact CD-OE1 3.44Å; P269-E272 HydrophobicContact CG-CB 4.23Å; P269-E272 HydrophobicContact CG-CG 3.72Å; P269-E272 WeakPolarHBondContact CG-OE1 3.47Å; P269-R313 PolarHBondContact O-NH2 3.37Å | ||
| 270 | V | 90.7 | Very high | 83.8 | Confident | 25 Ų | 25 | 91.9 Ų | 91.9 | 15% | 0.152 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -73.6 | -35.5 | -175 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | E272 I273 L342 P344 | V270-E272 PolarHBondContact O-N 2.92Å; V270-I273 WeakPolarHBondContact O-CB 3.25Å; V270-I273 WeakPolarHBondContact O-CG1 3.48Å; V270-I273 PolarHBondContact O-N 3.42Å; V270-I273 VanDerWaalsContact O-N 3.09Å; V270-L342 HydrophobicContact CG1-CD2 4.46Å; V270-L342 WeakPolarHBondContact CG1-O 3.49Å; V270-P344 HydrophobicContact CG2-CB 3.85Å |
| 271 | E | 87.9 | Confident | 85.6 | Confident | 163 Ų | 163 | 83.9 Ų | 83.9 | 76% | 0.762 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -27.1 | -176.4 | -58.7 | 72.7 | -159.1 | 0 | 0 | 112.2 | P269 I273 | P269-E271 WeakPolarHBondContact CB-OE2 3.42Å; E271-I273 PolarHBondContact O-N 2.84Å |
| 272 | E | 89.9 | Confident | 87.5 | Confident | 111 Ų | 111 | 73.9 Ų | 73.9 | 52% | 0.519 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -13.9 | 177 | -79.1 | 177.3 | -151.3 | 0 | 0 | 112.9 | R268 P269 V270 T274 | R268-E272 HydrophobicContact CG-CB 4.16Å; R268-E272 VanDerWaalsContact CG-OE2 3.31Å; R268-E272 WeakPolarHBondContact CG-OE2 3.29Å; R268-E272 IonicContact NE-OE2 3.68Å; R268-E272 PolarHBondContact NH2-O 3.35Å; P269-E272 WeakPolarHBondContact CD-OE1 3.44Å; P269-E272 HydrophobicContact CG-CB 4.23Å; P269-E272 HydrophobicContact CG-CG 3.72Å; P269-E272 WeakPolarHBondContact CG-OE1 3.47Å; V270-E272 PolarHBondContact O-N 2.92Å; E272-T274 PolarHBondContact O-N 2.96Å |
| 273 | I | 92.5 | Very high | 88.7 | Confident | 23 Ų | 23 | 75 Ų | 75 | 12% | 0.118 | 38% | 0.382 | C | S | . | . | trans | -75.3 | 115.8 | -173.5 | -57.7 | 176.4 | 0 | 0 | 0 | 109.2 | V270 E271 L278 L341 | V270-I273 WeakPolarHBondContact O-CB 3.25Å; V270-I273 WeakPolarHBondContact O-CG1 3.48Å; V270-I273 PolarHBondContact O-N 3.42Å; V270-I273 VanDerWaalsContact O-N 3.09Å; E271-I273 PolarHBondContact O-N 2.84Å; I273-L278 HydrophobicContact CG2-CD2 3.8Å; I273-L278 HydrophobicContact CG2-CG 4.11Å; I273-L341 HydrophobicContact CD1-CB 3.79Å; I273-L341 HydrophobicContact CD1-CD2 4.04Å; I273-L341 HydrophobicContact CD1-CG 4.44Å; I273-L341 WeakPolarHBondContact CD1-O 3.48Å | ||
| 274 | T | 93.9 | Very high | 90 | Very high | 64 Ų | 64 | 71.8 Ų | 71.8 | 39% | 0.393 | 37% | 0.366 | S | S | . | . | trans | -82.3 | 148.2 | -177.8 | 60.8 | 0 | 0 | 0 | 0 | 110.8 | E272 L276 E277 L278 | E272-T274 PolarHBondContact O-N 2.96Å; T274-L276 PolarHBondContact O-N 2.99Å; T274-E277 PolarHBondContact N-OE2 3.3Å; T274-E277 WeakPolarHBondContact O-CB 3.29Å; T274-E277 PolarHBondContact O-N 3.49Å; T274-E277 VanDerWaalsContact OG1-CG 3.24Å; T274-E277 WeakPolarHBondContact OG1-CG 3.46Å; T274-E277 PolarHBondContact OG1-N 3.48Å; T274-E277 PolarHBondContact OG1-OE2 3.4Å; T274-E277 VanDerWaalsContact OG1-OE2 3.06Å; T274-L278 PolarHBondContact O-N 3.31Å | ||
| 275 | E | 93.9 | Very high | 90.9 | Very high | 96 Ų | 96 | 70.9 Ų | 70.9 | 45% | 0.449 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.9 | -33 | 174.7 | -173.8 | 56.7 | -139.3 | 0 | 0 | 111.8 | E277 L278 Q279 R338 | E275-E277 PolarHBondContact O-N 3.44Å; E275-L278 WeakPolarHBondContact O-CB 3.21Å; E275-L278 PolarHBondContact O-N 3.06Å; E275-L278 VanDerWaalsContact O-N 3.11Å; E275-Q279 WeakPolarHBondContact O-CG 3.49Å; E275-Q279 PolarHBondContact O-N 2.9Å; E275-R338 IonicContact OE1-CZ 3.96Å; E275-R338 IonicContact OE1-NH2 2.8Å; E275-R338 PolarHBondContact OE1-NH2 3.34Å |
| 276 | L | 92.6 | Very high | 91.4 | Very high | 110 Ų | 110 | 81.1 Ų | 81.1 | 58% | 0.576 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.9 | -28.1 | 174.7 | -64.8 | 176.7 | 0 | 0 | 0 | 113.2 | T274 R280 | T274-L276 PolarHBondContact O-N 2.99Å; L276-R280 WeakPolarHBondContact O-CB 3.25Å; L276-R280 VanDerWaalsContact O-CG 3.31Å; L276-R280 WeakPolarHBondContact O-CG 3.06Å; L276-R280 PolarHBondContact O-N 3.24Å; L276-R280 PolarHBondContact O-NE 3.1Å |
| 277 | E | 92.1 | Very high | 91.8 | Very high | 34 Ų | 34 | 80.6 Ų | 80.6 | 16% | 0.159 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -75.7 | -38.4 | 173.2 | -74.1 | 167.3 | 142.6 | 0 | 0 | 111.3 | R268 T274 E275 Q279 R280 T308 | R268-E277 IonicContact CZ-OE1 3.67Å; R268-E277 IonicContact CZ-OE2 3.41Å; R268-E277 VanDerWaalsContact NH1-CD 3.35Å; R268-E277 IonicContact NH1-OE1 2.71Å; R268-E277 PolarHBondContact NH1-OE1 3.44Å; R268-E277 IonicContact NH1-OE2 2.72Å; R268-E277 PolarHBondContact NH1-OE2 3.48Å; R268-E277 VanDerWaalsContact NH2-CD 3.31Å; R268-E277 IonicContact NH2-OE1 3.42Å; R268-E277 PolarHBondContact NH2-OE1 3.09Å; R268-E277 VanDerWaalsContact NH2-OE1 3.14Å; R268-E277 IonicContact NH2-OE2 3.14Å; R268-E277 PolarHBondContact NH2-OE2 3.41Å; T274-E277 PolarHBondContact N-OE2 3.3Å; T274-E277 WeakPolarHBondContact O-CB 3.29Å; T274-E277 PolarHBondContact O-N 3.49Å; T274-E277 VanDerWaalsContact OG1-CG 3.24Å; T274-E277 WeakPolarHBondContact OG1-CG 3.46Å; T274-E277 PolarHBondContact OG1-N 3.48Å; T274-E277 PolarHBondContact OG1-OE2 3.4Å; T274-E277 VanDerWaalsContact OG1-OE2 3.06Å; E275-E277 PolarHBondContact O-N 3.44Å; E277-Q279 VanDerWaalsContact C-N 3.31Å; E277-Q279 PolarHBondContact O-N 3.07Å; E277-R280 PolarHBondContact O-N 3.5Å; E277-T308 HydrophobicContact CB-CG2 3.99Å; E277-T308 WeakPolarHBondContact O-CB 3.15Å; E277-T308 PolarHBondContact O-OG1 3.31Å |
| 278 | L | 94.2 | Very high | 92.1 | Very high | 14 Ų | 14 | 78.6 Ų | 78.6 | 7% | 0.073 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.4 | -36.8 | 175.2 | -59.5 | -178.3 | 0 | 0 | 0 | 111.7 | I273 T274 E275 R280 I281 R338 L341 L342 | I273-L278 HydrophobicContact CG2-CD2 3.8Å; I273-L278 HydrophobicContact CG2-CG 4.11Å; T274-L278 PolarHBondContact O-N 3.31Å; E275-L278 WeakPolarHBondContact O-CB 3.21Å; E275-L278 PolarHBondContact O-N 3.06Å; E275-L278 VanDerWaalsContact O-N 3.11Å; L278-R280 VanDerWaalsContact C-N 3.32Å; L278-R280 PolarHBondContact O-N 3.2Å; L278-I281 HydrophobicContact CB-CD1 4.48Å; L278-I281 HydrophobicContact CD2-CD1 4.15Å; L278-I281 WeakPolarHBondContact O-CB 3.4Å; L278-I281 WeakPolarHBondContact O-CD1 3.47Å; L278-I281 VanDerWaalsContact O-CG1 3.25Å; L278-I281 WeakPolarHBondContact O-CG1 3.38Å; L278-I281 PolarHBondContact O-N 3.03Å; L278-R338 HydrophobicContact CB-CG 4.18Å; L278-R338 HydrophobicContact CD1-CG 4.34Å; L278-R338 HydrophobicContact CD2-CG 3.87Å; L278-R338 HydrophobicContact CG-CG 4.35Å; L278-L341 HydrophobicContact CD2-CB 4.22Å; L278-L341 HydrophobicContact CD2-CD1 3.88Å; L278-L342 HydrophobicContact CD1-CD2 4.32Å |
| 279 | Q | 94.1 | Very high | 92.5 | Very high | 130 Ų | 130 | 79.4 Ų | 79.4 | 61% | 0.607 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -70.3 | -26.1 | 174.5 | -69.1 | 174.4 | 4.8 | 0 | 0 | 113.4 | E275 E277 I281 | E275-Q279 WeakPolarHBondContact O-CG 3.49Å; E275-Q279 PolarHBondContact O-N 2.9Å; E277-Q279 VanDerWaalsContact C-N 3.31Å; E277-Q279 PolarHBondContact O-N 3.07Å; Q279-I281 PolarHBondContact O-N 3.29Å |
| 280 | R | 94.4 | Very high | 92.9 | Very high | 138 Ų | 138 | 83.2 Ų | 83.2 | 52% | 0.521 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 5.1 | 176.9 | -79.4 | -177.5 | -74.8 | 164.2 | -5.5 | 113.8 | L276 E277 L278 C282 D307 T308 | L276-R280 WeakPolarHBondContact O-CB 3.25Å; L276-R280 VanDerWaalsContact O-CG 3.31Å; L276-R280 WeakPolarHBondContact O-CG 3.06Å; L276-R280 PolarHBondContact O-N 3.24Å; L276-R280 PolarHBondContact O-NE 3.1Å; E277-R280 PolarHBondContact O-N 3.5Å; L278-R280 VanDerWaalsContact C-N 3.32Å; L278-R280 PolarHBondContact O-N 3.2Å; R280-C282 PolarHBondContact O-N 3.22Å; R280-D307 WeakPolarHBondContact O-CA 3.41Å; R280-T308 WeakPolarHBondContact CB-OG1 3.37Å; R280-T308 PolarHBondContact O-N 2.81Å; R280-T308 VanDerWaalsContact O-N 3.13Å |
| 281 | I | 95.5 | Very high | 93 | Very high | 15 Ų | 15 | 84.5 Ų | 84.5 | 8% | 0.077 | 40% | 0.401 | C | S | . | . | trans | -68.5 | 127.7 | 173.1 | -64.2 | 170.7 | 0 | 0 | 0 | 108.6 | L278 Q279 V337 R338 L341 | L278-I281 HydrophobicContact CB-CD1 4.48Å; L278-I281 HydrophobicContact CD2-CD1 4.15Å; L278-I281 WeakPolarHBondContact O-CB 3.4Å; L278-I281 WeakPolarHBondContact O-CD1 3.47Å; L278-I281 VanDerWaalsContact O-CG1 3.25Å; L278-I281 WeakPolarHBondContact O-CG1 3.38Å; L278-I281 PolarHBondContact O-N 3.03Å; Q279-I281 PolarHBondContact O-N 3.29Å; I281-V337 HydrophobicContact CD1-CB 4.16Å; I281-V337 HydrophobicContact CD1-CG1 3.83Å; I281-V337 HydrophobicContact CG1-CG1 3.97Å; I281-V337 HydrophobicContact CG2-CB 3.94Å; I281-V337 HydrophobicContact CG2-CG1 4.2Å; I281-R338 HydrophobicContact CD1-CB 3.96Å; I281-R338 HydrophobicContact CD1-CG 3.9Å; I281-L341 HydrophobicContact CD1-CD1 4.24Å | ||
| 282 | C | 94.6 | Very high | 93.3 | Very high | 5 Ų | 5 | 81.3 Ų | 81.3 | 3% | 0.034 | 40% | 0.397 | C | S | . | . | trans | -77.2 | 129.8 | 171.6 | 67 | 0 | 0 | 0 | 0 | 110 | R280 K288 D307 G326 P327 | R280-C282 PolarHBondContact O-N 3.22Å; C282-K288 HydrophobicContact CB-CG 4.17Å; C282-D307 HydrophobicContact CB-CB 3.91Å; C282-D307 PolarHBondContact SG-OD2 3.32Å; C282-G326 WeakPolarHBondContact O-CA 3.39Å; C282-P327 WeakPolarHBondContact O-CD 3.44Å; C282-P327 WeakPolarHBondContact SG-CD 3.39Å | ||
| 283 | N | 92.8 | Very high | 93.4 | Very high | 77 Ų | 77 | 80.9 Ų | 80.9 | 41% | 0.412 | 41% | 0.406 | S | S | . | . | trans | -97 | -30.8 | 175.8 | -68.6 | -36.3 | 0 | 0 | 0 | 110.9 | E287 R330 | N283-E287 PolarHBondContact N-OE2 3.37Å; N283-R330 PolarHBondContact O-NH2 2.92Å | ||
| 284 | N | 92.8 | Very high | 93.3 | Very high | 75 Ų | 75 | 84.9 Ų | 84.9 | 40% | 0.401 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -121 | 156.3 | 180 | -62.5 | -50.3 | 0 | 0 | 0 | 112.3 | R286 E287 | N284-R286 PolarHBondContact O-N 2.7Å; N284-E287 HydrophobicContact CB-CG 4.3Å; N284-E287 PolarHBondContact N-OE2 3.4Å; N284-E287 VanDerWaalsContact N-OE2 3.08Å; N284-E287 PolarHBondContact ND2-OE1 3.44Å; N284-E287 PolarHBondContact O-N 2.94Å |
| 285 | V | 91.6 | Very high | 93.2 | Very high | 85 Ų | 85 | 82.4 Ų | 82.4 | 52% | 0.515 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -64.9 | -30.6 | 177.5 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | E287 K288 P327 | V285-E287 VanDerWaalsContact C-N 3.31Å; V285-E287 PolarHBondContact O-N 2.86Å; V285-K288 HydrophobicContact CG1-CD 4.49Å; V285-K288 WeakPolarHBondContact O-CB 3.37Å; V285-K288 PolarHBondContact O-N 3.33Å; V285-P327 HydrophobicContact CG2-CB 4Å; V285-P327 HydrophobicContact CG2-CG 4.32Å |
| 286 | R | 92.7 | Very high | 93.2 | Very high | 250 Ų | 250 | 79.7 Ų | 79.7 | 94% | 0.943 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -69.4 | -26.1 | 179.8 | -65.4 | -177.5 | 179.2 | 178.1 | -0.7 | 113.6 | N284 K288 | N284-R286 PolarHBondContact O-N 2.7Å; R286-K288 PolarHBondContact O-N 2.9Å |
| 287 | E | 91.3 | Very high | 93.3 | Very high | 98 Ų | 98 | 75.9 Ų | 75.9 | 46% | 0.458 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -81 | -6.2 | 179.9 | -67.3 | 156.4 | -160.1 | 0 | 0 | 112.4 | N283 N284 V285 V289 | N283-E287 PolarHBondContact N-OE2 3.37Å; N284-E287 HydrophobicContact CB-CG 4.3Å; N284-E287 PolarHBondContact N-OE2 3.4Å; N284-E287 VanDerWaalsContact N-OE2 3.08Å; N284-E287 PolarHBondContact ND2-OE1 3.44Å; N284-E287 PolarHBondContact O-N 2.94Å; V285-E287 VanDerWaalsContact C-N 3.31Å; V285-E287 PolarHBondContact O-N 2.86Å; E287-V289 PolarHBondContact O-N 3.44Å |
| 288 | K | 93 | Very high | 93.4 | Very high | 15 Ų | 15 | 74.4 Ų | 74.4 | 7% | 0.065 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -73 | 117.9 | -177.7 | -70.8 | -177.6 | 171 | -175.8 | 0 | 111.3 | C282 V285 R286 Y290 T305 C325 | C282-K288 HydrophobicContact CB-CG 4.17Å; V285-K288 HydrophobicContact CG1-CD 4.49Å; V285-K288 WeakPolarHBondContact O-CB 3.37Å; V285-K288 PolarHBondContact O-N 3.33Å; R286-K288 PolarHBondContact O-N 2.9Å; K288-Y290 HydrophobicContact CB-CE2 4.48Å; K288-T305 HydrophobicContact CB-CG2 4.1Å; K288-T305 HydrophobicContact CD-CG2 4.49Å; K288-C325 PolarHBondContact NZ-SG 2.82Å |
| 289 | V | 94.8 | Very high | 93.3 | Very high | 91 Ų | 91 | 74.6 Ų | 74.6 | 55% | 0.552 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -94.7 | 118.8 | 170.3 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | E287 T305 T306 | E287-V289 PolarHBondContact O-N 3.44Å; V289-T305 WeakPolarHBondContact O-CA 3.25Å; V289-T305 WeakPolarHBondContact O-CB 3.36Å; V289-T306 PolarHBondContact O-N 3.07Å |
| 290 | Y | 95.3 | Very high | 93.2 | Very high | 129 Ų | 129 | 69.6 Ų | 69.6 | 51% | 0.506 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -82.1 | 133 | -179.5 | -64.8 | -89 | 0 | 0 | 0 | 111.1 | K288 Q303 K304 T305 | K288-Y290 HydrophobicContact CB-CE2 4.48Å; Y290-Q303 HydrophobicContact CD1-CB 4.42Å; Y290-Q303 HydrophobicContact CE1-CB 3.83Å; Y290-Q303 HydrophobicContact CE1-CG 3.79Å; Y290-Q303 PolarHBondContact OH-NE2 2.98Å; Y290-Q303 PolarHBondContact OH-OE1 2.99Å; Y290-K304 WeakPolarHBondContact CA-O 3.2Å; Y290-T305 HydrophobicContact CD1-CG2 3.66Å; Y290-T305 HydrophobicContact CE1-CG2 3.88Å; Y290-T305 HydrophobicContact CG-CG2 4.15Å |
| 291 | N | 93.4 | Very high | 93.2 | Very high | 51 Ų | 51 | 65 Ų | 65 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | trans | -147.6 | 118.2 | 174 | -170 | -44.8 | 0 | 0 | 0 | 109.7 | S293 T294 G295 K304 T306 | N291-S293 PolarHBondContact OD1-N 2.95Å; N291-S293 PolarHBondContact OD1-OG 3.08Å; N291-T294 PolarHBondContact ND2-OG1 3.13Å; N291-T294 VanDerWaalsContact ND2-OG1 3.1Å; N291-T294 PolarHBondContact OD1-N 3.1Å; N291-T294 PolarHBondContact OD1-OG1 3Å; N291-G295 VanDerWaalsContact O-CA 3.25Å; N291-G295 WeakPolarHBondContact O-CA 3.23Å; N291-G295 PolarHBondContact O-N 3.12Å; N291-K304 PolarHBondContact N-O 2.91Å; N291-K304 VanDerWaalsContact N-O 3.1Å; N291-K304 WeakPolarHBondContact O-CB 3.36Å; N291-T306 HydrophobicContact CB-CG2 3.58Å | ||
| 292 | S | 93.2 | Very high | 93 | Very high | 97 Ų | 97 | 70.7 Ų | 70.7 | 68% | 0.678 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -25.1 | -175.7 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | K304 | S292-K304 PolarHBondContact O-NZ 3.31Š|
| 293 | S | 92.6 | Very high | 93 | Very high | 101 Ų | 101 | 73.4 Ų | 73.4 | 71% | 0.706 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -48 | -174.9 | 59.3 | 0 | 0 | 0 | 0 | 112.6 | N291 | N291-S293 PolarHBondContact OD1-N 2.95Å; N291-S293 PolarHBondContact OD1-OG 3.08Å |
| 294 | T | 90.9 | Very high | 93.1 | Very high | 107 Ų | 107 | 74.4 Ų | 74.4 | 66% | 0.656 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -14.1 | -177.3 | 62.1 | 0 | 0 | 0 | 0 | 113.7 | N291 | N291-T294 PolarHBondContact ND2-OG1 3.13Å; N291-T294 VanDerWaalsContact ND2-OG1 3.1Å; N291-T294 PolarHBondContact OD1-N 3.1Å; N291-T294 PolarHBondContact OD1-OG1 3Å |
| 295 | G | 92 | Very high | 93.2 | Very high | 12 Ų | 12 | 70.9 Ų | 70.9 | 12% | 0.124 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 141.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N291 T305 | N291-G295 VanDerWaalsContact O-CA 3.25Å; N291-G295 WeakPolarHBondContact O-CA 3.23Å; N291-G295 PolarHBondContact O-N 3.12Å; G295-T305 VanDerWaalsContact CA-O 3.3Å; G295-T305 WeakPolarHBondContact CA-O 3.38Å |
| 296 | S | 92.8 | Very high | 93.4 | Very high | 39 Ų | 39 | 70 Ų | 70 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 148.9 | 171.1 | 56.1 | 0 | 0 | 0 | 0 | 110.5 | K304 T305 K309 | S296-K304 WeakPolarHBondContact O-CA 3.38Å; S296-T305 PolarHBondContact N-O 3.31Å; S296-T305 PolarHBondContact O-N 3.05Å; S296-T305 VanDerWaalsContact O-N 3.1Å; S296-K309 WeakPolarHBondContact O-CE 3.35Å; S296-K309 PolarHBondContact O-NZ 3.35Å; S296-K309 WeakPolarHBondContact OG-CD 3.45Å; S296-K309 PolarHBondContact OG-NZ 3.32Å |
| 297 | T | 94.3 | Very high | 93.5 | Very high | 31 Ų | 31 | 58.6 Ų | 58.6 | 19% | 0.19 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 133.3 | -178.6 | 50.6 | 0 | 0 | 0 | 0 | 111.5 | Q303 K304 V320 Q323 | T297-Q303 WeakPolarHBondContact CA-O 3.19Å; T297-K304 HydrophobicContact CG2-CD 4.09Å; T297-K304 HydrophobicContact CG2-CG 3.37Å; T297-V320 WeakPolarHBondContact OG1-CB 3.5Å; T297-V320 WeakPolarHBondContact OG1-CG1 3.13Å; T297-Q323 WeakPolarHBondContact O-CB 3.33Å; T297-Q323 PolarHBondContact O-OE1 3.32Å |
| 298 | C | 94.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.014 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 136 | 167.3 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | Q300 C301 R302 Q303 K309 Q323 C325 | C298-Q300 VanDerWaalsContact C-N 3.27Å; C298-Q300 PolarHBondContact O-N 3.46Å; C298-Q300 PolarHBondContact SG-N 2.95Å; C298-Q300 VanDerWaalsContact SG-N 3.44Å; C298-C301 VanDerWaalsContact CB-SG 3.51Å; C298-R302 WeakPolarHBondContact O-CA 2.97Å; C298-R302 PolarHBondContact O-N 3.1Å; C298-Q303 PolarHBondContact N-O 3.29Å; C298-Q303 VanDerWaalsContact N-O 3.08Å; C298-K309 HydrophobicContact CB-CD 4.36Å; C298-Q323 CarbonylContact C-O 3.28Å; C298-C325 HydrophobicContact CB-CB 4.36Å |
| 299 | H | 93.3 | Very high | 93.8 | Very high | 19 Ų | 19 | 54.9 Ų | 54.9 | 9% | 0.088 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -40.8 | 175.5 | -178.5 | 66.6 | 0 | 0 | 0 | 112.5 | V320 Q323 F324 C357 | H299-V320 WeakPolarHBondContact CB-O 3.3Å; H299-Q323 WeakPolarHBondContact CB-O 3.49Å; H299-Q323 PolarHBondContact N-O 2.92Å; H299-F324 HydrophobicContact CB-CE1 4.03Å; H299-F324 HydrophobicContact CB-CE2 4.1Å; H299-F324 HydrophobicContact CB-CZ 3.8Å; H299-F324 AromaticContact CD2-CE1 3.94Å; H299-F324 AromaticContact CD2-CZ 3.54Å; H299-F324 AromaticContact CG-CZ 3.94Å; H299-C357 PolarHBondContact NE2-SG 3.35Å; H299-C357 VanDerWaalsContact NE2-SG 3.4Å |
| 300 | Q | 92.5 | Very high | 93.8 | Very high | 25 Ų | 25 | 50.6 Ų | 50.6 | 12% | 0.117 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -58.3 | -171.8 | -174.4 | 70 | 51.7 | 0 | 0 | 113 | C298 F324 C328 R332 Y333 | C298-Q300 VanDerWaalsContact C-N 3.27Å; C298-Q300 PolarHBondContact O-N 3.46Å; C298-Q300 PolarHBondContact SG-N 2.95Å; C298-Q300 VanDerWaalsContact SG-N 3.44Å; Q300-F324 HydrophobicContact CB-CD1 4.16Å; Q300-F324 HydrophobicContact CB-CE1 4.08Å; Q300-C328 HydrophobicContact CB-CB 3.88Å; Q300-C328 HydrophobicContact CG-CB 4.13Å; Q300-R332 VanDerWaalsContact CD-NE 3.27Å; Q300-R332 VanDerWaalsContact CG-CD 3.47Å; Q300-R332 VanDerWaalsContact NE2-NE 3.19Å; Q300-Y333 PolarHBondContact OE1-OH 3.02Å |
| 301 | C | 92.7 | Very high | 93.7 | Very high | 40 Ų | 40 | 46 Ų | 46 | 27% | 0.27 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -8.3 | -177.2 | 66.5 | 0 | 0 | 0 | 0 | 113.1 | C298 Q303 | C298-C301 VanDerWaalsContact CB-SG 3.51Å; C301-Q303 HydrophobicContact CB-CG 4.25Å; C301-Q303 PolarHBondContact O-N 3.18Å; C301-Q303 PolarHBondContact SG-OE1 2.94Å; C301-Q303 VanDerWaalsContact SG-OE1 3.35Å |
| 302 | R | 92.6 | Very high | 93.8 | Very high | 136 Ų | 136 | 43.6 Ų | 43.6 | 51% | 0.513 | 25% | 0.247 | S | C | . | . | trans | 59.3 | 11.1 | 177.9 | -56.1 | 176.5 | 170.2 | -137.1 | -16.6 | 114.7 | C298 | C298-R302 WeakPolarHBondContact O-CA 2.97Å; C298-R302 PolarHBondContact O-N 3.1Å | ||
| 303 | Q | 93.6 | Very high | 93.7 | Very high | 61 Ų | 61 | 40.1 Ų | 40.1 | 29% | 0.285 | 22% | 0.219 | S | C | . | . | trans | -78.6 | 139.3 | 177.5 | -68.1 | 168.4 | -15.8 | 0 | 0 | 110.1 | Y290 T297 C298 C301 T305 | Y290-Q303 HydrophobicContact CD1-CB 4.42Å; Y290-Q303 HydrophobicContact CE1-CB 3.83Å; Y290-Q303 HydrophobicContact CE1-CG 3.79Å; Y290-Q303 PolarHBondContact OH-NE2 2.98Å; Y290-Q303 PolarHBondContact OH-OE1 2.99Å; T297-Q303 WeakPolarHBondContact CA-O 3.19Å; C298-Q303 PolarHBondContact N-O 3.29Å; C298-Q303 VanDerWaalsContact N-O 3.08Å; C301-Q303 HydrophobicContact CB-CG 4.25Å; C301-Q303 PolarHBondContact O-N 3.18Å; C301-Q303 PolarHBondContact SG-OE1 2.94Å; C301-Q303 VanDerWaalsContact SG-OE1 3.35Å; Q303-T305 HydrophobicContact CB-CG2 4.35Å | ||
| 304 | K | 95.2 | Very high | 93.7 | Very high | 99 Ų | 99 | 36.4 Ų | 36.4 | 43% | 0.43 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 114.2 | 171.4 | -70.6 | -171.8 | 178.4 | -157.8 | 0 | 110.1 | Y290 N291 S292 S296 T297 | Y290-K304 WeakPolarHBondContact CA-O 3.2Å; N291-K304 PolarHBondContact N-O 2.91Å; N291-K304 VanDerWaalsContact N-O 3.1Å; N291-K304 WeakPolarHBondContact O-CB 3.36Å; S292-K304 PolarHBondContact O-NZ 3.31Å; S296-K304 WeakPolarHBondContact O-CA 3.38Å; T297-K304 HydrophobicContact CG2-CD 4.09Å; T297-K304 HydrophobicContact CG2-CG 3.37Å |
| 305 | T | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 155 | -172.1 | 45.1 | 0 | 0 | 0 | 0 | 110 | K288 V289 Y290 G295 S296 Q303 D307 K309 | K288-T305 HydrophobicContact CB-CG2 4.1Å; K288-T305 HydrophobicContact CD-CG2 4.49Å; V289-T305 WeakPolarHBondContact O-CA 3.25Å; V289-T305 WeakPolarHBondContact O-CB 3.36Å; Y290-T305 HydrophobicContact CD1-CG2 3.66Å; Y290-T305 HydrophobicContact CE1-CG2 3.88Å; Y290-T305 HydrophobicContact CG-CG2 4.15Å; G295-T305 VanDerWaalsContact CA-O 3.3Å; G295-T305 WeakPolarHBondContact CA-O 3.38Å; S296-T305 PolarHBondContact N-O 3.31Å; S296-T305 PolarHBondContact O-N 3.05Å; S296-T305 VanDerWaalsContact O-N 3.1Å; Q303-T305 HydrophobicContact CB-CG2 4.35Å; T305-D307 VanDerWaalsContact C-N 3.3Å; T305-D307 WeakPolarHBondContact CB-OD1 3.48Å; T305-D307 PolarHBondContact OG1-OD1 3.41Å; T305-K309 PolarHBondContact O-NZ 3.24Å; T305-K309 WeakPolarHBondContact OG1-CE 3.5Å; T305-K309 PolarHBondContact OG1-NZ 2.9Å |
| 306 | T | 95.8 | Very high | 93.4 | Very high | 66 Ų | 66 | 42.3 Ų | 42.3 | 41% | 0.405 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -82 | -7.2 | -176.2 | 54.1 | 0 | 0 | 0 | 0 | 114 | V289 N291 | V289-T306 PolarHBondContact O-N 3.07Å; N291-T306 HydrophobicContact CB-CG2 3.58Å |
| 307 | D | 94.9 | Very high | 93.2 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 6% | 0.059 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -62.4 | 148.8 | 176.7 | 64.4 | -49.7 | 0 | 0 | 0 | 112.2 | R280 C282 T305 K309 C325 | R280-D307 WeakPolarHBondContact O-CA 3.41Å; C282-D307 HydrophobicContact CB-CB 3.91Å; C282-D307 PolarHBondContact SG-OD2 3.32Å; T305-D307 VanDerWaalsContact C-N 3.3Å; T305-D307 WeakPolarHBondContact CB-OD1 3.48Å; T305-D307 PolarHBondContact OG1-OD1 3.41Å; D307-K309 PolarHBondContact O-N 2.9Å; D307-K309 PolarHBondContact O-NZ 2.61Å; D307-K309 VanDerWaalsContact O-NZ 3.13Å; D307-K309 IonicContact OD1-NZ 2.69Å; D307-K309 PolarHBondContact OD1-NZ 3.01Å; D307-K309 IonicContact OD2-NZ 3.2Å; D307-C325 WeakPolarHBondContact OD2-CB 3.09Å |
| 308 | T | 95 | Very high | 92.9 | Very high | 20 Ų | 20 | 42 Ų | 42 | 12% | 0.123 | 21% | 0.209 | C | C | . | . | trans | -65.9 | 130.1 | 171.6 | -51.6 | 0 | 0 | 0 | 0 | 109.5 | E277 R280 L341 | E277-T308 HydrophobicContact CB-CG2 3.99Å; E277-T308 WeakPolarHBondContact O-CB 3.15Å; E277-T308 PolarHBondContact O-OG1 3.31Å; R280-T308 WeakPolarHBondContact CB-OG1 3.37Å; R280-T308 PolarHBondContact O-N 2.81Å; R280-T308 VanDerWaalsContact O-N 3.13Å; T308-L341 HydrophobicContact CG2-CD1 3.87Å | ||
| 309 | K | 95.2 | Very high | 92.4 | Very high | 15 Ų | 15 | 43.1 Ų | 43.1 | 7% | 0.065 | 22% | 0.221 | C | C | . | . | trans | -116 | 162.7 | 178.2 | -63 | 179 | -173.4 | 61.4 | 0 | 109.4 | S296 C298 T305 D307 Q323 F324 C325 | S296-K309 WeakPolarHBondContact O-CE 3.35Å; S296-K309 PolarHBondContact O-NZ 3.35Å; S296-K309 WeakPolarHBondContact OG-CD 3.45Å; S296-K309 PolarHBondContact OG-NZ 3.32Å; C298-K309 HydrophobicContact CB-CD 4.36Å; T305-K309 PolarHBondContact O-NZ 3.24Å; T305-K309 WeakPolarHBondContact OG1-CE 3.5Å; T305-K309 PolarHBondContact OG1-NZ 2.9Å; D307-K309 PolarHBondContact O-N 2.9Å; D307-K309 PolarHBondContact O-NZ 2.61Å; D307-K309 VanDerWaalsContact O-NZ 3.13Å; D307-K309 IonicContact OD1-NZ 2.69Å; D307-K309 PolarHBondContact OD1-NZ 3.01Å; D307-K309 IonicContact OD2-NZ 3.2Å; K309-Q323 HydrophobicContact CB-CB 4.27Å; K309-Q323 HydrophobicContact CD-CB 4.42Å; K309-F324 VanDerWaalsContact CA-O 3.28Å; K309-F324 WeakPolarHBondContact CA-O 3.38Å; K309-F324 WeakPolarHBondContact CB-O 3.36Å; K309-C325 HydrophobicContact CG-CB 4.44Å | ||
| 310 | T | 95.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | trans | -62.6 | 155.7 | 176.1 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | G322 Q323 F324 L329 V337 A340 W346 | T310-G322 CarbonylContact C-O 3.48Å; T310-G322 PolarHBondContact OG1-O 2.99Å; T310-Q323 WeakPolarHBondContact O-CA 3.47Å; T310-F324 PolarHBondContact N-O 3.03Å; T310-F324 VanDerWaalsContact N-O 3.07Å; T310-F324 PolarHBondContact OG1-N 3.43Å; T310-L329 HydrophobicContact CG2-CD2 3.78Å; T310-V337 HydrophobicContact CG2-CB 4.14Å; T310-V337 HydrophobicContact CG2-CG1 3.81Å; T310-V337 HydrophobicContact CG2-CG2 3.93Å; T310-A340 HydrophobicContact CG2-CB 3.66Å; T310-W346 HydrophobicContact CG2-CH2 3.92Å; T310-W346 HydrophobicContact CG2-CZ2 4.21Å; T310-W346 HydrophobicContact CG2-CZ3 4.32Å; T310-W346 WeakPolarHBondContact OG1-CH2 3.47Å | ||
| 311 | N | 92.9 | Very high | 91.9 | Very high | 32 Ų | 32 | 46.6 Ų | 46.6 | 17% | 0.171 | 24% | 0.24 | C | C | . | . | trans | -122.5 | 124.1 | 169.6 | -178.5 | -82.7 | 0 | 0 | 0 | 108.2 | V266 R268 | V266-N311 PolarHBondContact O-ND2 3.19Å; R268-N311 PolarHBondContact N-OD1 3.42Å | ||
| 312 | C | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -72.6 | 142.2 | 179.1 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | H265 N314 C317 W346 C348 | H265-C312 PolarHBondContact CE1-O 2.98Å; H265-C312 VanDerWaalsContact CE1-O 3.23Å; H265-C312 PolarHBondContact NE2-O 3.43Å; C312-N314 PolarHBondContact SG-N 3.41Å; C312-C317 HydrophobicContact CB-CB 4.02Å; C312-W346 HydrophobicContact CB-CZ3 4.4Å; C312-C348 HydrophobicContact CB-CB 3.95Å; C312-C348 PolarHBondContact SG-N 2.99Å | ||
| 313 | R | 92.5 | Very high | 92 | Very high | 24 Ų | 24 | 41 Ų | 41 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | trans | -90.2 | -10.6 | 178.9 | -53.9 | -60.6 | -173.6 | 152 | -16.3 | 114.2 | R268 P269 L341 P344 W346 | R268-R313 PolarHBondContact O-NH1 3.22Å; R268-R313 PolarHBondContact O-NH2 3.37Å; R268-R313 VanDerWaalsContact O-NH2 3.16Å; P269-R313 PolarHBondContact O-NH2 3.37Å; R313-L341 PolarHBondContact NH2-O 3.22Å; R313-P344 WeakPolarHBondContact CB-O 3.36Å; R313-P344 VanDerWaalsContact CG-O 3.23Å; R313-P344 WeakPolarHBondContact CG-O 3.47Å; R313-W346 VanDerWaalsContact CB-O 3.31Å; R313-W346 WeakPolarHBondContact CB-O 3.49Å; R313-W346 VanDerWaalsContact CG-O 3.23Å; R313-W346 WeakPolarHBondContact CG-O 3.41Å; R313-W346 PolarHBondContact N-O 3.25Å | ||
| 314 | N | 91.4 | Very high | 92.1 | Very high | 24 Ų | 24 | 38.1 Ų | 38.1 | 13% | 0.128 | 20% | 0.203 | C | C | . | . | trans | -70.8 | 122.3 | 177.4 | -177.4 | -11 | 0 | 0 | 0 | 110.6 | H265 C312 E316 C317 W347 C351 | H265-N314 PolarHBondContact CD2-O 3.14Å; C312-N314 PolarHBondContact SG-N 3.41Å; N314-E316 PolarHBondContact O-N 2.63Å; N314-E316 WeakPolarHBondContact OD1-CB 3.36Å; N314-E316 PolarHBondContact OD1-N 2.82Å; N314-C317 HydrophobicContact CB-CB 4.4Å; N314-C317 WeakPolarHBondContact O-CB 3.42Å; N314-C317 PolarHBondContact O-N 2.83Å; N314-C317 VanDerWaalsContact O-N 3.1Å; N314-W347 HydrophobicContact CB-CG 4.36Å; N314-C351 HydrophobicContact CB-CB 4.42Å | ||
| 315 | P | 87.9 | Confident | 92.1 | Very high | 106 Ų | 106 | 33.4 Ų | 33.4 | 69% | 0.688 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -22.8 | 178 | 27.4 | -36.5 | 0 | 0 | 0 | 113.4 | C317 | P315-C317 VanDerWaalsContact C-N 3.31Š|
| 316 | E | 88.1 | Confident | 92.1 | Very high | 137 Ų | 137 | 33.4 Ų | 33.4 | 64% | 0.64 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -7.9 | 177.8 | -57.5 | -169.8 | 162 | 0 | 0 | 113.5 | R259 N314 | R259-E316 PolarHBondContact NH2-O 3.45Å; N314-E316 PolarHBondContact O-N 2.63Å; N314-E316 WeakPolarHBondContact OD1-CB 3.36Å; N314-E316 PolarHBondContact OD1-N 2.82Å |
| 317 | C | 89.9 | Confident | 92.1 | Very high | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.034 | 17% | 0.165 | C | C | . | . | trans | -58.8 | 152.2 | 172.8 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | H265 C312 N314 P315 | H265-C317 WeakPolarHBondContact CB-O 3.42Å; C312-C317 HydrophobicContact CB-CB 4.02Å; N314-C317 HydrophobicContact CB-CB 4.4Å; N314-C317 WeakPolarHBondContact O-CB 3.42Å; N314-C317 PolarHBondContact O-N 2.83Å; N314-C317 VanDerWaalsContact O-N 3.1Å; P315-C317 VanDerWaalsContact C-N 3.31Å | ||
| 318 | F | 86.5 | Confident | 92.1 | Very high | 58 Ų | 58 | 30.8 Ų | 30.8 | 25% | 0.254 | 17% | 0.168 | S | C | . | . | B | Isolated β-bridge | trans | -145 | 142.2 | -176.4 | 56.7 | -89.8 | 0 | 0 | 0 | 112.6 | V320 R321 | F318-V320 PolarHBondContact O-N 2.99Å; F318-R321 HydrophobicContact CE2-CG 4.4Å; F318-R321 WeakPolarHBondContact O-CG 3.5Å; F318-R321 PolarHBondContact O-N 2.75Å |
| 319 | G | 85.1 | Confident | 92.2 | Very high | 26 Ų | 26 | 29.9 Ų | 29.9 | 27% | 0.268 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | 52.1 | -132.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R321 | G319-R321 VanDerWaalsContact C-N 3.34Å; G319-R321 PolarHBondContact O-N 3.26Å |
| 320 | V | 86.2 | Confident | 92.2 | Very high | 72 Ų | 72 | 32.7 Ų | 32.7 | 44% | 0.436 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -90 | 8.4 | -171.3 | -57.3 | 0 | 0 | 0 | 0 | 113.7 | T297 H299 F318 G322 Q323 | T297-V320 WeakPolarHBondContact OG1-CB 3.5Å; T297-V320 WeakPolarHBondContact OG1-CG1 3.13Å; H299-V320 WeakPolarHBondContact CB-O 3.3Å; F318-V320 PolarHBondContact O-N 2.99Å; V320-G322 VanDerWaalsContact C-N 3.28Å; V320-G322 PolarHBondContact O-N 3.24Å; V320-Q323 PolarHBondContact O-N 2.86Å |
| 321 | R | 89 | Confident | 92.2 | Very high | 44 Ų | 44 | 34.3 Ų | 34.3 | 17% | 0.166 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -67.8 | -29.8 | -177.8 | -62.4 | -169.6 | 81.1 | 169.9 | 3.3 | 112.7 | F318 G319 Q323 F324 P350 C360 | F318-R321 HydrophobicContact CE2-CG 4.4Å; F318-R321 WeakPolarHBondContact O-CG 3.5Å; F318-R321 PolarHBondContact O-N 2.75Å; G319-R321 VanDerWaalsContact C-N 3.34Å; G319-R321 PolarHBondContact O-N 3.26Å; R321-Q323 VanDerWaalsContact C-N 3.35Å; R321-F324 VanDerWaalsContact O-CE2 3.29Å; R321-F324 WeakPolarHBondContact O-CE2 3.4Å; R321-P350 HydrophobicContact CB-CB 4.32Å; R321-P350 HydrophobicContact CB-CG 4.39Å; R321-P350 WeakPolarHBondContact O-CG 3.4Å; R321-C360 PolarHBondContact NH2-SG 3.18Å |
| 322 | G | 91.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -80.6 | -8.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | T310 V320 | T310-G322 CarbonylContact C-O 3.48Å; T310-G322 PolarHBondContact OG1-O 2.99Å; V320-G322 VanDerWaalsContact C-N 3.28Å; V320-G322 PolarHBondContact O-N 3.24Å |
| 323 | Q | 94.3 | Very high | 92.3 | Very high | 57 Ų | 57 | 34.6 Ų | 34.6 | 27% | 0.266 | 18% | 0.18 | S | C | . | . | trans | -99.7 | 114.9 | -169.4 | -65.9 | -175.1 | -24.6 | 0 | 0 | 112.1 | T297 C298 H299 K309 T310 V320 R321 | T297-Q323 WeakPolarHBondContact O-CB 3.33Å; T297-Q323 PolarHBondContact O-OE1 3.32Å; C298-Q323 CarbonylContact C-O 3.28Å; H299-Q323 WeakPolarHBondContact CB-O 3.49Å; H299-Q323 PolarHBondContact N-O 2.92Å; K309-Q323 HydrophobicContact CB-CB 4.27Å; K309-Q323 HydrophobicContact CD-CB 4.42Å; T310-Q323 WeakPolarHBondContact O-CA 3.47Å; V320-Q323 PolarHBondContact O-N 2.86Å; R321-Q323 VanDerWaalsContact C-N 3.35Å | ||
| 324 | F | 96.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -125.3 | 137.1 | 174.4 | -67.9 | -98 | 0 | 0 | 0 | 110.7 | H299 Q300 K309 T310 R321 L329 Y333 C348 P349 P350 | H299-F324 HydrophobicContact CB-CE1 4.03Å; H299-F324 HydrophobicContact CB-CE2 4.1Å; H299-F324 HydrophobicContact CB-CZ 3.8Å; H299-F324 AromaticContact CD2-CE1 3.94Å; H299-F324 AromaticContact CD2-CZ 3.54Å; H299-F324 AromaticContact CG-CZ 3.94Å; Q300-F324 HydrophobicContact CB-CD1 4.16Å; Q300-F324 HydrophobicContact CB-CE1 4.08Å; K309-F324 VanDerWaalsContact CA-O 3.28Å; K309-F324 WeakPolarHBondContact CA-O 3.38Å; K309-F324 WeakPolarHBondContact CB-O 3.36Å; T310-F324 PolarHBondContact N-O 3.03Å; T310-F324 VanDerWaalsContact N-O 3.07Å; T310-F324 PolarHBondContact OG1-N 3.43Å; R321-F324 VanDerWaalsContact O-CE2 3.29Å; R321-F324 WeakPolarHBondContact O-CE2 3.4Å; F324-L329 HydrophobicContact CB-CB 4.12Å; F324-L329 HydrophobicContact CB-CD1 4.24Å; F324-L329 HydrophobicContact CG-CD1 4.28Å; F324-Y333 HydrophobicContact CD1-CE2 4.4Å; F324-Y333 AromaticContact CE1-CE2 3.91Å; F324-Y333 HydrophobicContact CE1-CE2 3.91Å; F324-C348 HydrophobicContact CE2-CB 4.14Å; F324-P349 HydrophobicContact CE2-CG 4.27Å; F324-P349 HydrophobicContact CZ-CB 4.4Å; F324-P349 HydrophobicContact CZ-CG 4.11Å; F324-P350 HydrophobicContact CE2-CG 4.32Å; F324-P350 HydrophobicContact CZ-CG 4.04Å | ||
| 325 | C | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -80.8 | 155.9 | 167.9 | 63.7 | 0 | 0 | 0 | 0 | 110.8 | K288 C298 D307 K309 C328 L329 | K288-C325 PolarHBondContact NZ-SG 2.82Å; C298-C325 HydrophobicContact CB-CB 4.36Å; D307-C325 WeakPolarHBondContact OD2-CB 3.09Å; K309-C325 HydrophobicContact CG-CB 4.44Å; C325-C328 PolarHBondContact O-N 2.74Å; C325-C328 VanDerWaalsContact O-N 3.08Å; C325-C328 PolarHBondContact SG-SG 3.45Å; C325-L329 PolarHBondContact O-N 2.73Å; C325-L329 VanDerWaalsContact O-N 3.1Å | ||
| 326 | G | 95.8 | Very high | 93 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -46.2 | -57.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | C282 C328 L329 R330 V337 | C282-G326 WeakPolarHBondContact O-CA 3.39Å; G326-C328 PolarHBondContact O-N 3.33Å; G326-C328 VanDerWaalsContact O-N 3.14Å; G326-L329 PolarHBondContact O-N 3.5Å; G326-R330 WeakPolarHBondContact O-CB 3.45Å; G326-R330 PolarHBondContact O-N 2.8Å; G326-V337 VanDerWaalsContact CA-CG2 3.46Å |
| 327 | P | 95.5 | Very high | 93.4 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.032 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.5 | -29.4 | -175.4 | -24.3 | 34.7 | 0 | 0 | 0 | 113.4 | C282 V285 N331 | C282-P327 WeakPolarHBondContact O-CD 3.44Å; C282-P327 WeakPolarHBondContact SG-CD 3.39Å; V285-P327 HydrophobicContact CG2-CB 4Å; V285-P327 HydrophobicContact CG2-CG 4.32Å; P327-N331 VanDerWaalsContact O-CB 3.23Å; P327-N331 WeakPolarHBondContact O-CB 3.34Å; P327-N331 VanDerWaalsContact O-CG 3.22Å; P327-N331 PolarHBondContact O-N 3.16Å; P327-N331 PolarHBondContact O-ND2 2.62Å |
| 328 | C | 95.3 | Very high | 93.6 | Very high | 17 Ų | 17 | 33.3 Ų | 33.3 | 12% | 0.115 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -77.6 | -40.9 | 179 | -72.3 | 0 | 0 | 0 | 0 | 111.7 | Q300 C325 G326 R332 | Q300-C328 HydrophobicContact CB-CB 3.88Å; Q300-C328 HydrophobicContact CG-CB 4.13Å; C325-C328 PolarHBondContact O-N 2.74Å; C325-C328 VanDerWaalsContact O-N 3.08Å; C325-C328 PolarHBondContact SG-SG 3.45Å; G326-C328 PolarHBondContact O-N 3.33Å; G326-C328 VanDerWaalsContact O-N 3.14Å; C328-R332 VanDerWaalsContact O-CB 3.25Å; C328-R332 WeakPolarHBondContact O-CB 3.45Å; C328-R332 PolarHBondContact O-N 3.14Å |
| 329 | L | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.5 | -48.3 | 179.6 | -168.5 | 64.8 | 0 | 0 | 0 | 110.4 | T310 F324 C325 G326 Y333 G334 E335 V337 A340 W346 P349 | T310-L329 HydrophobicContact CG2-CD2 3.78Å; F324-L329 HydrophobicContact CB-CB 4.12Å; F324-L329 HydrophobicContact CB-CD1 4.24Å; F324-L329 HydrophobicContact CG-CD1 4.28Å; C325-L329 PolarHBondContact O-N 2.73Å; C325-L329 VanDerWaalsContact O-N 3.1Å; G326-L329 PolarHBondContact O-N 3.5Å; L329-Y333 HydrophobicContact CD1-CD2 4.07Å; L329-Y333 WeakPolarHBondContact O-CA 3.5Å; L329-Y333 WeakPolarHBondContact O-CB 3.43Å; L329-Y333 PolarHBondContact O-N 2.95Å; L329-G334 PolarHBondContact O-N 2.72Å; L329-E335 CarbonylContact C-O 3.59Å; L329-E335 VanDerWaalsContact C-O 3.28Å; L329-E335 HydrophobicContact CD1-CB 4.19Å; L329-E335 HydrophobicContact CD2-CB 4.03Å; L329-E335 HydrophobicContact CG-CB 3.79Å; L329-E335 VanDerWaalsContact CG-O 3.27Å; L329-E335 WeakPolarHBondContact CG-O 3.49Å; L329-V337 HydrophobicContact CB-CG2 4.23Å; L329-V337 HydrophobicContact CD2-CG2 3.85Å; L329-A340 HydrophobicContact CD2-CB 4.2Å; L329-W346 HydrophobicContact CD1-CZ2 4.24Å; L329-W346 HydrophobicContact CD2-CZ2 4.35Å; L329-P349 HydrophobicContact CD1-CG 4.26Å |
| 330 | R | 95.7 | Very high | 94.5 | Very high | 74 Ų | 74 | 33.8 Ų | 33.8 | 28% | 0.279 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.4 | -58.1 | 178.8 | -174 | 177 | 74.7 | -163.2 | -2.5 | 112.7 | N283 G326 R332 G334 E335 E336 | N283-R330 PolarHBondContact O-NH2 2.92Å; G326-R330 WeakPolarHBondContact O-CB 3.45Å; G326-R330 PolarHBondContact O-N 2.8Å; R330-R332 VanDerWaalsContact C-N 3.32Å; R330-R332 PolarHBondContact O-N 3.31Å; R330-G334 WeakPolarHBondContact O-CA 3.41Å; R330-G334 PolarHBondContact O-N 2.87Å; R330-E335 WeakPolarHBondContact CA-O 3.49Å; R330-E335 PolarHBondContact N-O 2.78Å; R330-E335 VanDerWaalsContact N-O 3.12Å; R330-E336 WeakPolarHBondContact CD-OE1 3.49Å; R330-E336 WeakPolarHBondContact CG-OE1 3.35Å |
| 331 | N | 95.1 | Very high | 94.9 | Very high | 37 Ų | 37 | 30.8 Ų | 30.8 | 20% | 0.198 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71.5 | -25.9 | -172.7 | -63.4 | -18.9 | 0 | 0 | 0 | 113.2 | P327 V373 N383 V384 | P327-N331 VanDerWaalsContact O-CB 3.23Å; P327-N331 WeakPolarHBondContact O-CB 3.34Å; P327-N331 VanDerWaalsContact O-CG 3.22Å; P327-N331 PolarHBondContact O-N 3.16Å; P327-N331 PolarHBondContact O-ND2 2.62Å; N331-V373 HydrophobicContact CB-CG1 3.98Å; N331-V373 HydrophobicContact CB-CG2 4.13Å; N331-N383 WeakPolarHBondContact O-CA 3.36Å; N331-V384 PolarHBondContact O-N 3.47Å; N331-V384 VanDerWaalsContact O-N 3.16Å |
| 332 | R | 94.8 | Very high | 95.2 | Very high | 27 Ų | 27 | 32.7 Ų | 32.7 | 10% | 0.102 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -96.8 | -31 | -178.3 | -71 | -171.6 | 167.9 | -107.4 | -5.4 | 114.7 | Q300 C328 R330 N356 T369 G370 V384 H385 | Q300-R332 VanDerWaalsContact CD-NE 3.27Å; Q300-R332 VanDerWaalsContact CG-CD 3.47Å; Q300-R332 VanDerWaalsContact NE2-NE 3.19Å; C328-R332 VanDerWaalsContact O-CB 3.25Å; C328-R332 WeakPolarHBondContact O-CB 3.45Å; C328-R332 PolarHBondContact O-N 3.14Å; R330-R332 VanDerWaalsContact C-N 3.32Å; R330-R332 PolarHBondContact O-N 3.31Å; R332-N356 WeakPolarHBondContact CD-OD1 3.3Å; R332-N356 PolarHBondContact NH1-O 2.89Å; R332-N356 PolarHBondContact NH1-OD1 3.37Å; R332-N356 PolarHBondContact O-ND2 2.92Å; R332-T369 PolarHBondContact NH1-OG1 3.2Å; R332-G370 PolarHBondContact NH2-O 2.78Å; R332-V384 HydrophobicContact CG-CG2 4.36Å; R332-H385 VanDerWaalsContact O-CB 3.25Å; R332-H385 WeakPolarHBondContact O-CB 3.32Å; R332-H385 PolarHBondContact O-N 3.2Å |
| 333 | Y | 95.5 | Very high | 95.3 | Very high | 11 Ų | 11 | 36.5 Ų | 36.5 | 4% | 0.043 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -124.1 | -12.4 | -174 | -55.4 | -80.2 | 0 | 0 | 0 | 112.9 | Q300 F324 L329 E335 P349 I354 C355 N356 H385 | Q300-Y333 PolarHBondContact OE1-OH 3.02Å; F324-Y333 HydrophobicContact CD1-CE2 4.4Å; F324-Y333 AromaticContact CE1-CE2 3.91Å; F324-Y333 HydrophobicContact CE1-CE2 3.91Å; L329-Y333 HydrophobicContact CD1-CD2 4.07Å; L329-Y333 WeakPolarHBondContact O-CA 3.5Å; L329-Y333 WeakPolarHBondContact O-CB 3.43Å; L329-Y333 PolarHBondContact O-N 2.95Å; Y333-E335 VanDerWaalsContact C-N 3.29Å; Y333-P349 HydrophobicContact CD1-CB 3.9Å; Y333-P349 HydrophobicContact CD1-CG 3.91Å; Y333-P349 HydrophobicContact CD2-CB 4.48Å; Y333-P349 HydrophobicContact CD2-CG 3.86Å; Y333-P349 HydrophobicContact CE1-CB 3.49Å; Y333-P349 VanDerWaalsContact CE1-CB 3.49Å; Y333-P349 HydrophobicContact CE1-CG 3.91Å; Y333-P349 HydrophobicContact CE2-CB 4.13Å; Y333-P349 HydrophobicContact CE2-CG 3.86Å; Y333-P349 HydrophobicContact CG-CB 4.38Å; Y333-P349 HydrophobicContact CG-CG 3.89Å; Y333-I354 HydrophobicContact CD1-CD1 4.48Å; Y333-C355 WeakPolarHBondContact OH-CA 3.17Å; Y333-C355 PolarHBondContact OH-SG 3.27Å; Y333-N356 PolarHBondContact OH-N 3.45Å; Y333-N356 PolarHBondContact OH-OD1 2.84Å; Y333-H385 HydrophobicContact CD1-CB 4.25Å |
| 334 | G | 94.6 | Very high | 95.2 | Very high | 43 Ų | 43 | 38 Ų | 38 | 44% | 0.443 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 75.8 | 17 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L329 R330 | L329-G334 PolarHBondContact O-N 2.72Å; R330-G334 WeakPolarHBondContact O-CA 3.41Å; R330-G334 PolarHBondContact O-N 2.87Å |
| 335 | E | 95.6 | Very high | 95.1 | Very high | 42 Ų | 42 | 46.1 Ų | 46.1 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | trans | -107.7 | 143.8 | -179.7 | -68.6 | 175.6 | -141.6 | 0 | 0 | 110.5 | L329 R330 Y333 W346 R352 | L329-E335 CarbonylContact C-O 3.59Å; L329-E335 VanDerWaalsContact C-O 3.28Å; L329-E335 HydrophobicContact CD1-CB 4.19Å; L329-E335 HydrophobicContact CD2-CB 4.03Å; L329-E335 HydrophobicContact CG-CB 3.79Å; L329-E335 VanDerWaalsContact CG-O 3.27Å; L329-E335 WeakPolarHBondContact CG-O 3.49Å; R330-E335 WeakPolarHBondContact CA-O 3.49Å; R330-E335 PolarHBondContact N-O 2.78Å; R330-E335 VanDerWaalsContact N-O 3.12Å; Y333-E335 VanDerWaalsContact C-N 3.29Å; E335-W346 PolarHBondContact OE2-NE1 3.42Å; E335-R352 IonicContact OE1-CZ 3.79Å; E335-R352 IonicContact OE1-NH1 3.63Å; E335-R352 PolarHBondContact OE1-NH1 3.17Å; E335-R352 IonicContact OE1-NH2 3.05Å; E335-R352 IonicContact OE2-CZ 3.33Å; E335-R352 IonicContact OE2-NH1 3.56Å; E335-R352 IonicContact OE2-NH2 3.55Å; E335-R352 PolarHBondContact OE2-NH2 2.95Å | ||
| 336 | E | 95.5 | Very high | 95.1 | Very high | 64 Ų | 64 | 46.7 Ų | 46.7 | 30% | 0.299 | 24% | 0.239 | S | C | . | . | trans | -94.3 | 145 | 174.8 | -68.6 | -62.7 | 163.2 | 0 | 0 | 111.6 | R330 R338 A340 | R330-E336 WeakPolarHBondContact CD-OE1 3.49Å; R330-E336 WeakPolarHBondContact CG-OE1 3.35Å; E336-R338 VanDerWaalsContact C-N 3.3Å; E336-R338 PolarHBondContact O-N 3.23Å; E336-A340 WeakPolarHBondContact O-CB 3.47Å; E336-A340 PolarHBondContact O-N 2.79Å | ||
| 337 | V | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69 | -34 | -178.9 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | I281 T310 G326 L329 A340 L341 | I281-V337 HydrophobicContact CD1-CB 4.16Å; I281-V337 HydrophobicContact CD1-CG1 3.83Å; I281-V337 HydrophobicContact CG1-CG1 3.97Å; I281-V337 HydrophobicContact CG2-CB 3.94Å; I281-V337 HydrophobicContact CG2-CG1 4.2Å; T310-V337 HydrophobicContact CG2-CB 4.14Å; T310-V337 HydrophobicContact CG2-CG1 3.81Å; T310-V337 HydrophobicContact CG2-CG2 3.93Å; G326-V337 VanDerWaalsContact CA-CG2 3.46Å; L329-V337 HydrophobicContact CB-CG2 4.23Å; L329-V337 HydrophobicContact CD2-CG2 3.85Å; V337-A340 PolarHBondContact O-N 2.76Å; V337-L341 HydrophobicContact CG1-CD1 3.88Å; V337-L341 HydrophobicContact CG1-CG 4.23Å; V337-L341 WeakPolarHBondContact O-CB 3.43Å; V337-L341 VanDerWaalsContact O-CG 3.27Å; V337-L341 WeakPolarHBondContact O-CG 3.03Å; V337-L341 PolarHBondContact O-N 2.99Å |
| 338 | R | 95.7 | Very high | 95.1 | Very high | 119 Ų | 119 | 52.7 Ų | 52.7 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.7 | -49.3 | 179.3 | -139.2 | 178.7 | -171.4 | -175 | 2 | 110.1 | E275 L278 I281 E336 L341 L342 | E275-R338 IonicContact OE1-CZ 3.96Å; E275-R338 IonicContact OE1-NH2 2.8Å; E275-R338 PolarHBondContact OE1-NH2 3.34Å; L278-R338 HydrophobicContact CB-CG 4.18Å; L278-R338 HydrophobicContact CD1-CG 4.34Å; L278-R338 HydrophobicContact CD2-CG 3.87Å; L278-R338 HydrophobicContact CG-CG 4.35Å; I281-R338 HydrophobicContact CD1-CB 3.96Å; I281-R338 HydrophobicContact CD1-CG 3.9Å; E336-R338 VanDerWaalsContact C-N 3.3Å; E336-R338 PolarHBondContact O-N 3.23Å; R338-L341 PolarHBondContact O-N 3Å; R338-L342 WeakPolarHBondContact O-CG 3.31Å; R338-L342 PolarHBondContact O-N 3.3Å; R338-L342 VanDerWaalsContact O-N 3.14Å |
| 339 | D | 95.4 | Very high | 95.1 | Very high | 92 Ų | 92 | 51.9 Ų | 51.9 | 49% | 0.492 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 178.6 | -55.5 | -15.5 | 0 | 0 | 0 | 111.2 | L341 L342 N343 | D339-L341 PolarHBondContact O-N 3.17Å; D339-L342 PolarHBondContact O-N 2.77Å; D339-N343 VanDerWaalsContact O-CB 3.3Å; D339-N343 WeakPolarHBondContact O-CB 3.28Å; D339-N343 PolarHBondContact O-N 2.81Å; D339-N343 PolarHBondContact O-ND2 3.24Å |
| 340 | A | 95.3 | Very high | 95 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.6 | -34.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | T310 L329 E336 V337 W346 | T310-A340 HydrophobicContact CG2-CB 3.66Å; L329-A340 HydrophobicContact CD2-CB 4.2Å; E336-A340 WeakPolarHBondContact O-CB 3.47Å; E336-A340 PolarHBondContact O-N 2.79Å; V337-A340 PolarHBondContact O-N 2.76Å; A340-W346 HydrophobicContact CB-CD2 3.66Å; A340-W346 VanDerWaalsContact CB-CE2 3.45Å; A340-W346 HydrophobicContact CB-CE3 4.31Å; A340-W346 HydrophobicContact CB-CG 3.86Å; A340-W346 HydrophobicContact CB-CZ2 3.97Å; A340-W346 WeakPolarHBondContact O-CB 3.42Å |
| 341 | L | 94.7 | Very high | 94.8 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73 | -42.3 | 177.4 | -80.1 | 176.5 | 0 | 0 | 0 | 111.8 | I273 L278 I281 T308 R313 V337 R338 D339 N343 | I273-L341 HydrophobicContact CD1-CB 3.79Å; I273-L341 HydrophobicContact CD1-CD2 4.04Å; I273-L341 HydrophobicContact CD1-CG 4.44Å; I273-L341 WeakPolarHBondContact CD1-O 3.48Å; L278-L341 HydrophobicContact CD2-CB 4.22Å; L278-L341 HydrophobicContact CD2-CD1 3.88Å; I281-L341 HydrophobicContact CD1-CD1 4.24Å; T308-L341 HydrophobicContact CG2-CD1 3.87Å; R313-L341 PolarHBondContact NH2-O 3.22Å; V337-L341 HydrophobicContact CG1-CD1 3.88Å; V337-L341 HydrophobicContact CG1-CG 4.23Å; V337-L341 WeakPolarHBondContact O-CB 3.43Å; V337-L341 VanDerWaalsContact O-CG 3.27Å; V337-L341 WeakPolarHBondContact O-CG 3.03Å; V337-L341 PolarHBondContact O-N 2.99Å; R338-L341 PolarHBondContact O-N 3Å; D339-L341 PolarHBondContact O-N 3.17Å; L341-N343 VanDerWaalsContact C-N 3.32Å; L341-N343 PolarHBondContact O-N 3.04Å |
| 342 | L | 94.4 | Very high | 94.7 | Very high | 84 Ų | 84 | 54 Ų | 54 | 44% | 0.44 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -75.6 | -16.5 | -179.4 | -66.8 | 173.5 | 0 | 0 | 0 | 113.9 | V270 L278 R338 D339 P344 | V270-L342 HydrophobicContact CG1-CD2 4.46Å; V270-L342 WeakPolarHBondContact CG1-O 3.49Å; L278-L342 HydrophobicContact CD1-CD2 4.32Å; R338-L342 WeakPolarHBondContact O-CG 3.31Å; R338-L342 PolarHBondContact O-N 3.3Å; R338-L342 VanDerWaalsContact O-N 3.14Å; D339-L342 PolarHBondContact O-N 2.77Å; L342-P344 WeakPolarHBondContact O-CD 3.31Å |
| 343 | N | 93.8 | Very high | 94.6 | Very high | 82 Ų | 82 | 55 Ų | 55 | 44% | 0.439 | 29% | 0.288 | S | S | . | . | trans | -89.4 | 116.9 | -179.7 | -73.4 | -32.9 | 0 | 0 | 0 | 111.7 | D339 L341 E345 W346 | D339-N343 VanDerWaalsContact O-CB 3.3Å; D339-N343 WeakPolarHBondContact O-CB 3.28Å; D339-N343 PolarHBondContact O-N 2.81Å; D339-N343 PolarHBondContact O-ND2 3.24Å; L341-N343 VanDerWaalsContact C-N 3.32Å; L341-N343 PolarHBondContact O-N 3.04Å; N343-E345 VanDerWaalsContact C-N 3.27Å; N343-E345 PolarHBondContact O-N 3.18Å; N343-W346 HydrophobicContact CB-CB 3.9Å; N343-W346 WeakPolarHBondContact O-CB 3.26Å; N343-W346 PolarHBondContact O-N 3.45Å | ||
| 344 | P | 92.9 | Very high | 94.4 | Very high | 89 Ų | 89 | 57 Ų | 57 | 58% | 0.578 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -22.2 | -177.9 | 27.8 | -34.3 | 0 | 0 | 0 | 113.5 | V270 R313 L342 | V270-P344 HydrophobicContact CG2-CB 3.85Å; R313-P344 WeakPolarHBondContact CB-O 3.36Å; R313-P344 VanDerWaalsContact CG-O 3.23Å; R313-P344 WeakPolarHBondContact CG-O 3.47Å; L342-P344 WeakPolarHBondContact O-CD 3.31Å |
| 345 | E | 94.3 | Very high | 94.4 | Very high | 170 Ų | 170 | 55.1 Ų | 55.1 | 79% | 0.794 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 5.9 | 179.7 | -61.7 | -175.5 | 166.5 | 0 | 0 | 112.7 | N343 W347 | N343-E345 VanDerWaalsContact C-N 3.27Å; N343-E345 PolarHBondContact O-N 3.18Å; E345-W347 PolarHBondContact O-N 3.18Å; E345-W347 VanDerWaalsContact O-N 3.15Å |
| 346 | W | 95.1 | Very high | 94.3 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 5% | 0.049 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 116.9 | -174.7 | -175.4 | 86.5 | 0 | 0 | 0 | 112.5 | T310 C312 R313 L329 E335 A340 N343 C348 | T310-W346 HydrophobicContact CG2-CH2 3.92Å; T310-W346 HydrophobicContact CG2-CZ2 4.21Å; T310-W346 HydrophobicContact CG2-CZ3 4.32Å; T310-W346 WeakPolarHBondContact OG1-CH2 3.47Å; C312-W346 HydrophobicContact CB-CZ3 4.4Å; R313-W346 VanDerWaalsContact CB-O 3.31Å; R313-W346 WeakPolarHBondContact CB-O 3.49Å; R313-W346 VanDerWaalsContact CG-O 3.23Å; R313-W346 WeakPolarHBondContact CG-O 3.41Å; R313-W346 PolarHBondContact N-O 3.25Å; L329-W346 HydrophobicContact CD1-CZ2 4.24Å; L329-W346 HydrophobicContact CD2-CZ2 4.35Å; E335-W346 PolarHBondContact OE2-NE1 3.42Å; A340-W346 HydrophobicContact CB-CD2 3.66Å; A340-W346 VanDerWaalsContact CB-CE2 3.45Å; A340-W346 HydrophobicContact CB-CE3 4.31Å; A340-W346 HydrophobicContact CB-CG 3.86Å; A340-W346 HydrophobicContact CB-CZ2 3.97Å; A340-W346 WeakPolarHBondContact O-CB 3.42Å; N343-W346 HydrophobicContact CB-CB 3.9Å; N343-W346 WeakPolarHBondContact O-CB 3.26Å; N343-W346 PolarHBondContact O-N 3.45Å; W346-C348 HydrophobicContact CH2-CB 3.64Å; W346-C348 HydrophobicContact CZ2-CB 4.43Å; W346-C348 HydrophobicContact CZ3-CB 3.88Å |
| 347 | W | 95.4 | Very high | 94.1 | Very high | 132 Ų | 132 | 50.5 Ų | 50.5 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -100.7 | 142.9 | 172.1 | -65.8 | -2.8 | 0 | 0 | 0 | 110.9 | N314 E345 C351 R352 | N314-W347 HydrophobicContact CB-CG 4.36Å; E345-W347 PolarHBondContact O-N 3.18Å; E345-W347 VanDerWaalsContact O-N 3.15Å; W347-C351 HydrophobicContact CB-CB 4.39Å; W347-R352 HydrophobicContact CB-CG 3.86Å; W347-R352 PolarHBondContact O-NE 3.24Å; W347-R352 PolarHBondContact O-NH2 3.22Å |
| 348 | C | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 156.4 | 179.8 | 68.4 | 0 | 0 | 0 | 0 | 112.2 | C312 F324 W346 P350 C351 R352 | C312-C348 HydrophobicContact CB-CB 3.95Å; C312-C348 PolarHBondContact SG-N 2.99Å; F324-C348 HydrophobicContact CE2-CB 4.14Å; W346-C348 HydrophobicContact CH2-CB 3.64Å; W346-C348 HydrophobicContact CZ2-CB 4.43Å; W346-C348 HydrophobicContact CZ3-CB 3.88Å; C348-P350 VanDerWaalsContact C-CD 3.45Å; C348-P350 VanDerWaalsContact C-N 3.28Å; C348-P350 VanDerWaalsContact O-N 3.14Å; C348-C351 PolarHBondContact O-N 3.43Å; C348-C351 PolarHBondContact SG-SG 3.44Å; C348-R352 PolarHBondContact O-N 2.89Å |
| 349 | P | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -36.8 | 178.6 | -25.9 | 31.7 | 0 | 0 | 0 | 115 | F324 L329 Y333 R352 G353 I354 C355 | F324-P349 HydrophobicContact CE2-CG 4.27Å; F324-P349 HydrophobicContact CZ-CB 4.4Å; F324-P349 HydrophobicContact CZ-CG 4.11Å; L329-P349 HydrophobicContact CD1-CG 4.26Å; Y333-P349 HydrophobicContact CD1-CB 3.9Å; Y333-P349 HydrophobicContact CD1-CG 3.91Å; Y333-P349 HydrophobicContact CD2-CB 4.48Å; Y333-P349 HydrophobicContact CD2-CG 3.86Å; Y333-P349 HydrophobicContact CE1-CB 3.49Å; Y333-P349 VanDerWaalsContact CE1-CB 3.49Å; Y333-P349 HydrophobicContact CE1-CG 3.91Å; Y333-P349 HydrophobicContact CE2-CB 4.13Å; Y333-P349 HydrophobicContact CE2-CG 3.86Å; Y333-P349 HydrophobicContact CG-CB 4.38Å; Y333-P349 HydrophobicContact CG-CG 3.89Å; P349-R352 PolarHBondContact O-N 3.39Å; P349-G353 PolarHBondContact O-N 3.22Å; P349-I354 HydrophobicContact CB-CD1 4.46Å; P349-I354 HydrophobicContact CB-CG1 3.9Å; P349-I354 PolarHBondContact O-N 2.92Å; P349-C355 HydrophobicContact CB-CB 4.34Å; P349-C355 PolarHBondContact O-N 2.75Å |
| 350 | P | 93.8 | Very high | 93.1 | Very high | 17 Ų | 17 | 48.3 Ų | 48.3 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -38.7 | 172.5 | -26.9 | 36.7 | 0 | 0 | 0 | 114.8 | R321 F324 C348 R352 G353 C355 | R321-P350 HydrophobicContact CB-CB 4.32Å; R321-P350 HydrophobicContact CB-CG 4.39Å; R321-P350 WeakPolarHBondContact O-CG 3.4Å; F324-P350 HydrophobicContact CE2-CG 4.32Å; F324-P350 HydrophobicContact CZ-CG 4.04Å; C348-P350 VanDerWaalsContact C-CD 3.45Å; C348-P350 VanDerWaalsContact C-N 3.28Å; C348-P350 VanDerWaalsContact O-N 3.14Å; P350-R352 VanDerWaalsContact C-N 3.33Å; P350-G353 PolarHBondContact O-N 3.23Å; P350-C355 HydrophobicContact CB-CB 4.32Å; P350-C355 HydrophobicContact CG-CB 3.95Å |
| 351 | C | 92.7 | Very high | 92.8 | Very high | 41 Ų | 41 | 48.6 Ų | 48.6 | 28% | 0.277 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -30.7 | 177.6 | -75.2 | 0 | 0 | 0 | 0 | 111.9 | N314 W347 C348 G353 | N314-C351 HydrophobicContact CB-CB 4.42Å; W347-C351 HydrophobicContact CB-CB 4.39Å; C348-C351 PolarHBondContact O-N 3.43Å; C348-C351 PolarHBondContact SG-SG 3.44Å; C351-G353 VanDerWaalsContact C-N 3.29Å |
| 352 | R | 93.4 | Very high | 92.5 | Very high | 96 Ų | 96 | 50.7 Ų | 50.7 | 36% | 0.362 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -5.9 | 173.9 | -57.7 | -174.3 | -155.9 | 156.3 | 10.9 | 113.8 | E335 W347 C348 P349 P350 I354 | E335-R352 IonicContact OE1-CZ 3.79Å; E335-R352 IonicContact OE1-NH1 3.63Å; E335-R352 PolarHBondContact OE1-NH1 3.17Å; E335-R352 IonicContact OE1-NH2 3.05Å; E335-R352 IonicContact OE2-CZ 3.33Å; E335-R352 IonicContact OE2-NH1 3.56Å; E335-R352 IonicContact OE2-NH2 3.55Å; E335-R352 PolarHBondContact OE2-NH2 2.95Å; W347-R352 HydrophobicContact CB-CG 3.86Å; W347-R352 PolarHBondContact O-NE 3.24Å; W347-R352 PolarHBondContact O-NH2 3.22Å; C348-R352 PolarHBondContact O-N 2.89Å; P349-R352 PolarHBondContact O-N 3.39Å; P350-R352 VanDerWaalsContact C-N 3.33Å; R352-I354 VanDerWaalsContact C-N 3.27Å; R352-I354 HydrophobicContact CB-CD1 4.39Å; R352-I354 HydrophobicContact CB-CG1 4.11Å; R352-I354 HydrophobicContact CB-CG2 4.47Å; R352-I354 PolarHBondContact O-N 2.61Å |
| 353 | G | 91.2 | Very high | 92 | Very high | 49 Ų | 49 | 54.9 Ų | 54.9 | 51% | 0.505 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 18.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P349 P350 C351 | P349-G353 PolarHBondContact O-N 3.22Å; P350-G353 PolarHBondContact O-N 3.23Å; C351-G353 VanDerWaalsContact C-N 3.29Å |
| 354 | I | 92.9 | Very high | 91.6 | Very high | 52 Ų | 52 | 54.5 Ų | 54.5 | 27% | 0.267 | 28% | 0.279 | S | S | . | . | trans | -107.1 | 5.5 | -179.2 | 67.4 | 175.1 | 0 | 0 | 0 | 113.1 | Y333 P349 R352 N356 | Y333-I354 HydrophobicContact CD1-CD1 4.48Å; P349-I354 HydrophobicContact CB-CD1 4.46Å; P349-I354 HydrophobicContact CB-CG1 3.9Å; P349-I354 PolarHBondContact O-N 2.92Å; R352-I354 VanDerWaalsContact C-N 3.27Å; R352-I354 HydrophobicContact CB-CD1 4.39Å; R352-I354 HydrophobicContact CB-CG1 4.11Å; R352-I354 HydrophobicContact CB-CG2 4.47Å; R352-I354 PolarHBondContact O-N 2.61Å; I354-N356 PolarHBondContact O-N 3.19Å | ||
| 355 | C | 93.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.027 | 26% | 0.259 | C | S | . | . | trans | -65.6 | 121 | -173.4 | -173 | 0 | 0 | 0 | 0 | 111.9 | Y333 P349 P350 C357 C360 | Y333-C355 WeakPolarHBondContact OH-CA 3.17Å; Y333-C355 PolarHBondContact OH-SG 3.27Å; P349-C355 HydrophobicContact CB-CB 4.34Å; P349-C355 PolarHBondContact O-N 2.75Å; P350-C355 HydrophobicContact CB-CB 4.32Å; P350-C355 HydrophobicContact CG-CB 3.95Å; C355-C357 PolarHBondContact O-N 3.31Å; C355-C357 VanDerWaalsContact SG-SG 3.64Å; C355-C360 HydrophobicContact CB-CB 4Å | ||
| 356 | N | 92.8 | Very high | 90.8 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.027 | 23% | 0.231 | C | C | . | . | trans | -96.1 | 21.2 | -178.5 | 66.6 | 23.1 | 0 | 0 | 0 | 113.3 | R332 Y333 I354 T369 L388 | R332-N356 WeakPolarHBondContact CD-OD1 3.3Å; R332-N356 PolarHBondContact NH1-O 2.89Å; R332-N356 PolarHBondContact NH1-OD1 3.37Å; R332-N356 PolarHBondContact O-ND2 2.92Å; Y333-N356 PolarHBondContact OH-N 3.45Å; Y333-N356 PolarHBondContact OH-OD1 2.84Å; I354-N356 PolarHBondContact O-N 3.19Å; N356-T369 HydrophobicContact CB-CG2 4.36Å; N356-T369 PolarHBondContact O-OG1 3.17Å; N356-L388 HydrophobicContact CB-CD1 3.85Å | ||
| 357 | C | 91.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -75.9 | 152.7 | 174.6 | 83.9 | 0 | 0 | 0 | 0 | 111.1 | H299 C355 F359 C360 R361 | H299-C357 PolarHBondContact NE2-SG 3.35Å; H299-C357 VanDerWaalsContact NE2-SG 3.4Å; C355-C357 PolarHBondContact O-N 3.31Å; C355-C357 VanDerWaalsContact SG-SG 3.64Å; C357-F359 PolarHBondContact O-N 2.9Å; C357-C360 PolarHBondContact O-N 3.44Å; C357-C360 PolarHBondContact SG-N 2.93Å; C357-C360 VanDerWaalsContact SG-N 3.37Å; C357-C360 PolarHBondContact SG-SG 3.43Å; C357-R361 WeakPolarHBondContact O-CB 3.21Å; C357-R361 WeakPolarHBondContact O-CG 3.36Å; C357-R361 PolarHBondContact O-N 3.22Å |
| 358 | S | 88.5 | Confident | 89.8 | Confident | 49 Ų | 49 | 43.4 Ų | 43.4 | 34% | 0.343 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -55.1 | -38.6 | -177 | 50.5 | 0 | 0 | 0 | 0 | 113 | A362 | S358-A362 VanDerWaalsContact O-CB 3.26Å; S358-A362 WeakPolarHBondContact O-CB 3.39Å; S358-A362 PolarHBondContact O-N 3.39Å |
| 359 | F | 88.7 | Confident | 89.2 | Confident | 108 Ų | 108 | 43.9 Ų | 43.9 | 47% | 0.474 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -75.3 | -34.9 | -177.7 | -66 | -96.2 | 0 | 0 | 0 | 113.8 | C357 R363 | C357-F359 PolarHBondContact O-N 2.9Å; F359-R363 PolarHBondContact O-N 3.38Å |
| 360 | C | 89 | Confident | 88.7 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 5% | 0.054 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -73.3 | -39.6 | 174.5 | -68.6 | 0 | 0 | 0 | 0 | 110.3 | R321 C355 C357 R363 E364 | R321-C360 PolarHBondContact NH2-SG 3.18Å; C355-C360 HydrophobicContact CB-CB 4Å; C357-C360 PolarHBondContact O-N 3.44Å; C357-C360 PolarHBondContact SG-N 2.93Å; C357-C360 VanDerWaalsContact SG-N 3.37Å; C357-C360 PolarHBondContact SG-SG 3.43Å; C360-R363 WeakPolarHBondContact O-CB 3.49Å; C360-R363 PolarHBondContact O-N 3.28Å; C360-E364 PolarHBondContact O-N 2.93Å |
| 361 | R | 89.8 | Confident | 88.4 | Confident | 9 Ų | 9 | 50.5 Ų | 50.5 | 3% | 0.034 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.2 | -41.2 | 178.5 | -71.6 | -175.3 | 55.8 | 110.9 | 8.5 | 113.7 | L238 C357 R363 E364 G365 R366 C367 T369 | L238-R361 PolarHBondContact O-NH1 2.9Å; L238-R361 PolarHBondContact O-NH2 2.94Å; C357-R361 WeakPolarHBondContact O-CB 3.21Å; C357-R361 WeakPolarHBondContact O-CG 3.36Å; C357-R361 PolarHBondContact O-N 3.22Å; R361-R363 PolarHBondContact O-N 3.38Å; R361-E364 CarbonylContact O-C 3.42Å; R361-E364 WeakPolarHBondContact O-CA 3.28Å; R361-E364 WeakPolarHBondContact O-CB 3.43Å; R361-E364 PolarHBondContact O-N 3.27Å; R361-G365 PolarHBondContact O-N 3.13Å; R361-G365 VanDerWaalsContact O-N 3.16Å; R361-R366 CarbonylContact C-O 3.59Å; R361-R366 HydrophobicContact CB-CB 4.36Å; R361-R366 PolarHBondContact O-N 3.49Å; R361-C367 PolarHBondContact NE-O 3.49Å; R361-C367 PolarHBondContact NH2-O 3.17Å; R361-T369 VanDerWaalsContact CD-CG2 3.43Å |
| 362 | A | 88 | Confident | 88.3 | Confident | 52 Ų | 52 | 48.6 Ų | 48.6 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.3 | -35.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S358 E364 G365 | S358-A362 VanDerWaalsContact O-CB 3.26Å; S358-A362 WeakPolarHBondContact O-CB 3.39Å; S358-A362 PolarHBondContact O-N 3.39Å; A362-E364 VanDerWaalsContact C-N 3.28Å; A362-E364 PolarHBondContact O-N 2.85Å; A362-G365 PolarHBondContact O-N 3.45Å; A362-G365 VanDerWaalsContact O-N 3.14Å |
| 363 | R | 85.3 | Confident | 88.2 | Confident | 172 Ų | 172 | 45.2 Ų | 45.2 | 65% | 0.649 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -67.5 | -28.5 | 174.5 | -171.4 | -177.1 | -58 | 176.2 | 1.7 | 113 | F359 C360 R361 G365 | F359-R363 PolarHBondContact O-N 3.38Å; C360-R363 WeakPolarHBondContact O-CB 3.49Å; C360-R363 PolarHBondContact O-N 3.28Å; R361-R363 PolarHBondContact O-N 3.38Å; R363-G365 VanDerWaalsContact C-N 3.28Å |
| 364 | E | 84.9 | Confident | 88.2 | Confident | 74 Ų | 74 | 51.3 Ų | 51.3 | 35% | 0.346 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 1.8 | 174.6 | -67.2 | 173.2 | -154.6 | 0 | 0 | 112.9 | C360 R361 A362 R366 | C360-E364 PolarHBondContact O-N 2.93Å; R361-E364 CarbonylContact O-C 3.42Å; R361-E364 WeakPolarHBondContact O-CA 3.28Å; R361-E364 WeakPolarHBondContact O-CB 3.43Å; R361-E364 PolarHBondContact O-N 3.27Å; A362-E364 VanDerWaalsContact C-N 3.28Å; A362-E364 PolarHBondContact O-N 2.85Å; E364-R366 VanDerWaalsContact C-N 3.33Å; E364-R366 HydrophobicContact CB-CG 4.18Å; E364-R366 IonicContact OE2-CZ 2.66Å; E364-R366 IonicContact OE2-NE 2.75Å; E364-R366 PolarHBondContact OE2-NE 3.09Å; E364-R366 IonicContact OE2-NH2 3.84Å |
| 365 | G | 85 | Confident | 88.1 | Confident | 15 Ų | 15 | 53.1 Ų | 53.1 | 16% | 0.155 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 23.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K241 N242 R361 A362 R363 | K241-G365 CarbonylContact C-O 3.59Å; K241-G365 VanDerWaalsContact CA-O 3.31Å; K241-G365 WeakPolarHBondContact CA-O 3.27Å; N242-G365 PolarHBondContact N-O 2.91Å; R361-G365 PolarHBondContact O-N 3.13Å; R361-G365 VanDerWaalsContact O-N 3.16Å; A362-G365 PolarHBondContact O-N 3.45Å; A362-G365 VanDerWaalsContact O-N 3.14Å; R363-G365 VanDerWaalsContact C-N 3.28Å |
| 366 | R | 84.8 | Confident | 88.1 | Confident | 59 Ų | 59 | 53 Ų | 53 | 22% | 0.223 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -108.1 | 151.7 | 178.8 | -51.1 | -179.8 | -166 | -107.6 | -3.3 | 111.8 | V239 R361 E364 | V239-R366 PolarHBondContact O-NH1 3.15Å; R361-R366 CarbonylContact C-O 3.59Å; R361-R366 HydrophobicContact CB-CB 4.36Å; R361-R366 PolarHBondContact O-N 3.49Å; E364-R366 VanDerWaalsContact C-N 3.33Å; E364-R366 HydrophobicContact CB-CG 4.18Å; E364-R366 IonicContact OE2-CZ 2.66Å; E364-R366 IonicContact OE2-NE 2.75Å; E364-R366 PolarHBondContact OE2-NE 3.09Å; E364-R366 IonicContact OE2-NH2 3.84Å |
| 367 | C | 83.8 | Confident | 88.1 | Confident | 37 Ų | 37 | 58.3 Ų | 58.3 | 25% | 0.25 | 31% | 0.311 | C | S | . | . | trans | -55.9 | 142.7 | 174.9 | -65.7 | 0 | 0 | 0 | 0 | 112.2 | R361 | R361-C367 PolarHBondContact NE-O 3.49Å; R361-C367 PolarHBondContact NH2-O 3.17Å | ||
| 368 | A | 86.6 | Confident | 88.2 | Confident | 60 Ų | 60 | 67.4 Ų | 67.4 | 50% | 0.496 | 35% | 0.346 | S | S | . | . | trans | -69 | 134.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | G370 | A368-G370 VanDerWaalsContact C-N 3.31Å; A368-G370 PolarHBondContact O-N 2.79Å | ||
| 369 | T | 81.9 | Confident | 88.4 | Confident | 11 Ų | 11 | 69.6 Ų | 69.6 | 7% | 0.067 | 35% | 0.35 | C | S | . | . | trans | -73 | -16.3 | -176.2 | 52.8 | 0 | 0 | 0 | 0 | 115.4 | R332 N356 R361 L372 L388 | R332-T369 PolarHBondContact NH1-OG1 3.2Å; N356-T369 HydrophobicContact CB-CG2 4.36Å; N356-T369 PolarHBondContact O-OG1 3.17Å; R361-T369 VanDerWaalsContact CD-CG2 3.43Å; T369-L372 VanDerWaalsContact CB-CD1 3.42Å; T369-L372 HydrophobicContact CG2-CD1 3.52Å; T369-L372 VanDerWaalsContact O-CG 3.28Å; T369-L372 WeakPolarHBondContact O-CG 3.42Å; T369-L388 HydrophobicContact CG2-CD1 3.98Å | ||
| 370 | G | 84.8 | Confident | 88.6 | Confident | 47 Ų | 47 | 67.6 Ų | 67.6 | 49% | 0.485 | 36% | 0.36 | S | S | . | . | trans | 52.9 | -142.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114 | R332 A368 L372 | R332-G370 PolarHBondContact NH2-O 2.78Å; A368-G370 VanDerWaalsContact C-N 3.31Å; A368-G370 PolarHBondContact O-N 2.79Å; G370-L372 PolarHBondContact O-N 3.44Å | ||
| 371 | V | 88.3 | Confident | 88.9 | Confident | 108 Ų | 108 | 70 Ų | 70 | 66% | 0.655 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -91.6 | 70.5 | 179.2 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | V373 Y374 | V371-V373 VanDerWaalsContact C-N 3.27Å; V371-V373 PolarHBondContact O-N 2.9Å; V371-Y374 HydrophobicContact CG1-CD2 4.01Å; V371-Y374 HydrophobicContact CG1-CE2 3.96Å |
| 372 | L | 89.4 | Confident | 89 | Confident | 2 Ų | 2 | 76.3 Ų | 76.3 | 1% | 0.01 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -6.5 | -176.7 | -102.1 | 173.6 | 0 | 0 | 0 | 116.1 | L238 T369 G370 Y374 L375 A376 V384 Y387 L388 | L238-L372 HydrophobicContact CD1-CD1 3.93Å; L238-L372 HydrophobicContact CD1-CD2 3.76Å; L238-L372 HydrophobicContact CD1-CG 4.27Å; L238-L372 HydrophobicContact CD2-CD1 4.39Å; T369-L372 VanDerWaalsContact CB-CD1 3.42Å; T369-L372 HydrophobicContact CG2-CD1 3.52Å; T369-L372 VanDerWaalsContact O-CG 3.28Å; T369-L372 WeakPolarHBondContact O-CG 3.42Å; G370-L372 PolarHBondContact O-N 3.44Å; L372-Y374 VanDerWaalsContact C-N 3.3Å; L372-Y374 PolarHBondContact O-N 2.84Å; L372-L375 HydrophobicContact CD2-CB 3.93Å; L372-L375 HydrophobicContact CD2-CD1 3.82Å; L372-L375 PolarHBondContact O-N 3.18Å; L372-A376 WeakPolarHBondContact O-CB 3.45Å; L372-A376 PolarHBondContact O-N 3.06Å; L372-V384 HydrophobicContact CB-CB 4.47Å; L372-V384 HydrophobicContact CB-CG1 3.61Å; L372-V384 HydrophobicContact CB-CG2 3.96Å; L372-V384 HydrophobicContact CD1-CG1 3.84Å; L372-V384 HydrophobicContact CG-CG1 4.34Å; L372-Y387 HydrophobicContact CD2-CD1 4.08Å; L372-Y387 HydrophobicContact CD2-CE1 3.79Å; L372-L388 HydrophobicContact CD1-CD1 4.47Å; L372-L388 HydrophobicContact CD1-CD2 3.92Å; L372-L388 HydrophobicContact CD1-CG 4.36Å |
| 373 | V | 91.3 | Very high | 89.3 | Confident | 24 Ų | 24 | 75.1 Ų | 75.1 | 15% | 0.145 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.4 | -38.1 | -171.1 | 177.6 | 0 | 0 | 0 | 0 | 111.8 | N331 V371 K377 V384 | N331-V373 HydrophobicContact CB-CG1 3.98Å; N331-V373 HydrophobicContact CB-CG2 4.13Å; V371-V373 VanDerWaalsContact C-N 3.27Å; V371-V373 PolarHBondContact O-N 2.9Å; V373-K377 WeakPolarHBondContact O-CG 3.47Å; V373-K377 PolarHBondContact O-N 2.94Å; V373-V384 HydrophobicContact CB-CG2 4.39Å; V373-V384 HydrophobicContact CG2-CG2 3.87Å |
| 374 | Y | 91.2 | Very high | 89.7 | Confident | 177 Ų | 177 | 66.9 Ų | 66.9 | 69% | 0.694 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -73.2 | -41 | -179.4 | -60.8 | -70.2 | 0 | 0 | 0 | 112.2 | V371 L372 K377 Y378 | V371-Y374 HydrophobicContact CG1-CD2 4.01Å; V371-Y374 HydrophobicContact CG1-CE2 3.96Å; L372-Y374 VanDerWaalsContact C-N 3.3Å; L372-Y374 PolarHBondContact O-N 2.84Å; Y374-K377 PolarHBondContact O-N 3.48Å; Y374-Y378 PolarHBondContact O-N 2.84Å |
| 375 | L | 91.3 | Very high | 90.2 | Very high | 90 Ų | 90 | 66 Ų | 66 | 47% | 0.471 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 176.3 | -70.6 | 171.5 | 0 | 0 | 0 | 111.5 | L372 K377 Y378 H379 | L372-L375 HydrophobicContact CD2-CB 3.93Å; L372-L375 HydrophobicContact CD2-CD1 3.82Å; L372-L375 PolarHBondContact O-N 3.18Å; L375-K377 VanDerWaalsContact C-N 3.28Å; L375-K377 PolarHBondContact O-N 3.49Å; L375-Y378 WeakPolarHBondContact O-CB 3.48Å; L375-Y378 PolarHBondContact O-N 3.21Å; L375-Y378 VanDerWaalsContact O-N 3.12Å; L375-H379 PolarHBondContact O-CD2 2.91Å; L375-H379 PolarHBondContact O-N 3.31Å |
| 376 | A | 93.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.008 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.4 | -44.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L372 H379 G380 F381 V384 Y387 | L372-A376 WeakPolarHBondContact O-CB 3.45Å; L372-A376 PolarHBondContact O-N 3.06Å; A376-H379 CarbonylContact O-C 3.53Å; A376-H379 PolarHBondContact O-N 3.19Å; A376-G380 PolarHBondContact O-N 3.42Å; A376-F381 CarbonylContact C-O 3.58Å; A376-F381 HydrophobicContact CB-CB 4.36Å; A376-F381 WeakPolarHBondContact O-CB 3.34Å; A376-F381 PolarHBondContact O-N 3.13Å; A376-V384 HydrophobicContact CB-CG2 4.23Å; A376-Y387 HydrophobicContact CB-CD1 4.3Å; A376-Y387 HydrophobicContact CB-CG 4.14Å |
| 377 | K | 92.7 | Very high | 91.1 | Very high | 118 Ų | 118 | 65 Ų | 65 | 51% | 0.513 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.7 | -38.6 | 176.6 | -73.5 | -177.9 | 176.8 | -165.4 | 0 | 113.2 | V373 Y374 L375 H379 G380 | V373-K377 WeakPolarHBondContact O-CG 3.47Å; V373-K377 PolarHBondContact O-N 2.94Å; Y374-K377 PolarHBondContact O-N 3.48Å; L375-K377 VanDerWaalsContact C-N 3.28Å; L375-K377 PolarHBondContact O-N 3.49Å; K377-H379 VanDerWaalsContact C-N 3.26Å; K377-H379 PolarHBondContact O-N 2.97Å; K377-G380 PolarHBondContact O-N 3.24Å |
| 378 | Y | 93.4 | Very high | 91.5 | Very high | 194 Ų | 194 | 63.6 Ų | 63.6 | 76% | 0.761 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.1 | -39.2 | 175.7 | 178.7 | -98 | 0 | 0 | 0 | 111.5 | Y374 L375 G380 | Y374-Y378 PolarHBondContact O-N 2.84Å; L375-Y378 WeakPolarHBondContact O-CB 3.48Å; L375-Y378 PolarHBondContact O-N 3.21Å; L375-Y378 VanDerWaalsContact O-N 3.12Å; Y378-G380 PolarHBondContact O-N 3.07Å |
| 379 | H | 91.9 | Very high | 91.9 | Very high | 95 Ų | 95 | 67.7 Ų | 67.7 | 44% | 0.44 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 7.2 | 174.2 | -66.8 | -69.4 | 0 | 0 | 0 | 114.3 | L375 A376 K377 F381 Y387 | L375-H379 PolarHBondContact O-CD2 2.91Å; L375-H379 PolarHBondContact O-N 3.31Å; A376-H379 CarbonylContact O-C 3.53Å; A376-H379 PolarHBondContact O-N 3.19Å; K377-H379 VanDerWaalsContact C-N 3.26Å; K377-H379 PolarHBondContact O-N 2.97Å; H379-F381 HydrophobicContact CB-CD2 3.73Å; H379-F381 HydrophobicContact CB-CE2 3.85Å; H379-F381 WeakPolarHBondContact O-CD2 3.35Å; H379-Y387 HydrophobicContact CB-CD2 4.23Å; H379-Y387 HydrophobicContact CB-CE2 4.02Å; H379-Y387 AromaticContact CD2-CE2 3.5Å; H379-Y387 AromaticContact CD2-CZ 3.66Å; H379-Y387 AromaticContact CG-CE2 3.83Å |
| 380 | G | 94.4 | Very high | 92.5 | Very high | 66 Ų | 66 | 68.3 Ų | 68.3 | 68% | 0.68 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 15.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A376 K377 Y378 | A376-G380 PolarHBondContact O-N 3.42Å; K377-G380 PolarHBondContact O-N 3.24Å; Y378-G380 PolarHBondContact O-N 3.07Å |
| 381 | F | 94.4 | Very high | 92.8 | Very high | 58 Ų | 58 | 66.2 Ų | 66.2 | 25% | 0.254 | 33% | 0.333 | S | S | . | . | trans | -93.6 | 137.4 | 174.7 | -62.7 | -88.7 | 0 | 0 | 0 | 111.5 | A376 H379 N383 A386 Y387 S390 | A376-F381 CarbonylContact C-O 3.58Å; A376-F381 HydrophobicContact CB-CB 4.36Å; A376-F381 WeakPolarHBondContact O-CB 3.34Å; A376-F381 PolarHBondContact O-N 3.13Å; H379-F381 HydrophobicContact CB-CD2 3.73Å; H379-F381 HydrophobicContact CB-CE2 3.85Å; H379-F381 WeakPolarHBondContact O-CD2 3.35Å; F381-N383 VanDerWaalsContact C-N 3.3Å; F381-N383 PolarHBondContact O-N 2.99Å; F381-A386 HydrophobicContact CD1-CB 4Å; F381-Y387 AromaticContact CD2-CD2 3.54Å; F381-Y387 HydrophobicContact CD2-CD2 3.54Å; F381-Y387 HydrophobicContact CD2-CE2 4.5Å; F381-Y387 HydrophobicContact CD2-CG 4.17Å; F381-Y387 AromaticContact CE2-CD2 3.58Å; F381-Y387 HydrophobicContact CE2-CD2 3.58Å; F381-Y387 HydrophobicContact CE2-CE2 4.33Å; F381-Y387 HydrophobicContact CG-CD2 4.36Å; F381-Y387 HydrophobicContact CZ-CD2 4.42Å; F381-S390 WeakPolarHBondContact CZ-OG 3.37Å | ||
| 382 | D | 91.4 | Very high | 92.9 | Very high | 143 Ų | 143 | 64.4 Ų | 64.4 | 77% | 0.765 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -69.2 | -30.5 | 177.2 | -61.8 | -41.1 | 0 | 0 | 0 | 112.7 | ||
| 383 | N | 94.1 | Very high | 93.1 | Very high | 26 Ų | 26 | 70.1 Ų | 70.1 | 14% | 0.139 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -141.3 | 155.3 | -175.5 | 66.9 | 71.3 | 0 | 0 | 0 | 113.3 | N331 F381 H385 A386 Y387 | N331-N383 WeakPolarHBondContact O-CA 3.36Å; F381-N383 VanDerWaalsContact C-N 3.3Å; F381-N383 PolarHBondContact O-N 2.99Å; N383-H385 VanDerWaalsContact C-N 3.34Å; N383-H385 PolarHBondContact O-N 3.15Å; N383-H385 PolarHBondContact OD1-N 2.88Å; N383-A386 PolarHBondContact O-N 3.13Å; N383-A386 WeakPolarHBondContact OD1-CB 3.21Å; N383-A386 PolarHBondContact OD1-N 2.81Å; N383-Y387 PolarHBondContact O-N 3.07Å |
| 384 | V | 94.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.9 | -34.9 | -177.6 | 177.8 | 0 | 0 | 0 | 0 | 112.5 | N331 R332 L372 V373 A376 Y387 L388 | N331-V384 PolarHBondContact O-N 3.47Å; N331-V384 VanDerWaalsContact O-N 3.16Å; R332-V384 HydrophobicContact CG-CG2 4.36Å; L372-V384 HydrophobicContact CB-CB 4.47Å; L372-V384 HydrophobicContact CB-CG1 3.61Å; L372-V384 HydrophobicContact CB-CG2 3.96Å; L372-V384 HydrophobicContact CD1-CG1 3.84Å; L372-V384 HydrophobicContact CG-CG1 4.34Å; V373-V384 HydrophobicContact CB-CG2 4.39Å; V373-V384 HydrophobicContact CG2-CG2 3.87Å; A376-V384 HydrophobicContact CB-CG2 4.23Å; V384-Y387 PolarHBondContact O-N 3.16Å; V384-L388 HydrophobicContact CG1-CD1 3.98Å; V384-L388 HydrophobicContact CG1-CG 4.21Å; V384-L388 WeakPolarHBondContact O-CG 3.41Å; V384-L388 PolarHBondContact O-N 3.29Å |
| 385 | H | 94.8 | Very high | 93.1 | Very high | 54 Ų | 54 | 65.3 Ų | 65.3 | 25% | 0.25 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.4 | -41.4 | -179 | -176 | 68.6 | 0 | 0 | 0 | 112 | R332 Y333 N383 L388 K389 | R332-H385 VanDerWaalsContact O-CB 3.25Å; R332-H385 WeakPolarHBondContact O-CB 3.32Å; R332-H385 PolarHBondContact O-N 3.2Å; Y333-H385 HydrophobicContact CD1-CB 4.25Å; N383-H385 VanDerWaalsContact C-N 3.34Å; N383-H385 PolarHBondContact O-N 3.15Å; N383-H385 PolarHBondContact OD1-N 2.88Å; H385-L388 PolarHBondContact O-N 2.76Å; H385-K389 WeakPolarHBondContact O-CB 3.49Å; H385-K389 PolarHBondContact O-N 3.39Å |
| 386 | A | 94.9 | Very high | 93.1 | Very high | 32 Ų | 32 | 66.6 Ų | 66.6 | 26% | 0.264 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F381 N383 K389 S390 | F381-A386 HydrophobicContact CD1-CB 4Å; N383-A386 PolarHBondContact O-N 3.13Å; N383-A386 WeakPolarHBondContact OD1-CB 3.21Å; N383-A386 PolarHBondContact OD1-N 2.81Å; A386-K389 WeakPolarHBondContact O-CB 3.35Å; A386-K389 PolarHBondContact O-N 2.99Å; A386-K389 VanDerWaalsContact O-N 3.14Å; A386-S390 PolarHBondContact O-N 3.48Å |
| 387 | Y | 94.6 | Very high | 93 | Very high | 22 Ų | 22 | 71 Ų | 71 | 9% | 0.086 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 174.4 | 176.9 | -119.3 | 0 | 0 | 0 | 112.5 | L372 A376 H379 F381 N383 V384 K389 S390 L391 | L372-Y387 HydrophobicContact CD2-CD1 4.08Å; L372-Y387 HydrophobicContact CD2-CE1 3.79Å; A376-Y387 HydrophobicContact CB-CD1 4.3Å; A376-Y387 HydrophobicContact CB-CG 4.14Å; H379-Y387 HydrophobicContact CB-CD2 4.23Å; H379-Y387 HydrophobicContact CB-CE2 4.02Å; H379-Y387 AromaticContact CD2-CE2 3.5Å; H379-Y387 AromaticContact CD2-CZ 3.66Å; H379-Y387 AromaticContact CG-CE2 3.83Å; F381-Y387 AromaticContact CD2-CD2 3.54Å; F381-Y387 HydrophobicContact CD2-CD2 3.54Å; F381-Y387 HydrophobicContact CD2-CE2 4.5Å; F381-Y387 HydrophobicContact CD2-CG 4.17Å; F381-Y387 AromaticContact CE2-CD2 3.58Å; F381-Y387 HydrophobicContact CE2-CD2 3.58Å; F381-Y387 HydrophobicContact CE2-CE2 4.33Å; F381-Y387 HydrophobicContact CG-CD2 4.36Å; F381-Y387 HydrophobicContact CZ-CD2 4.42Å; N383-Y387 PolarHBondContact O-N 3.07Å; V384-Y387 PolarHBondContact O-N 3.16Å; Y387-K389 PolarHBondContact O-N 3.32Å; Y387-S390 PolarHBondContact O-N 3.01Å; Y387-S390 PolarHBondContact O-OG 2.85Å; Y387-L391 HydrophobicContact CD1-CD1 4.24Å; Y387-L391 HydrophobicContact CD2-CG 4.48Å; Y387-L391 HydrophobicContact CE1-CD1 3.66Å; Y387-L391 HydrophobicContact CE1-CG 4.41Å; Y387-L391 HydrophobicContact CE2-CD1 4.17Å; Y387-L391 HydrophobicContact CE2-CD2 4.2Å; Y387-L391 HydrophobicContact CE2-CG 4.06Å; Y387-L391 WeakPolarHBondContact O-CG 3.47Å; Y387-L391 PolarHBondContact O-N 3.02Å; Y387-L391 VanDerWaalsContact O-N 3.07Å |
| 388 | L | 92.8 | Very high | 92.8 | Very high | 8 Ų | 8 | 70 Ų | 70 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.1 | -27.6 | 176.7 | -70.1 | 174.9 | 0 | 0 | 0 | 112.7 | L238 N356 T369 L372 V384 H385 L391 K392 | L238-L388 HydrophobicContact CB-CD2 4.13Å; N356-L388 HydrophobicContact CB-CD1 3.85Å; T369-L388 HydrophobicContact CG2-CD1 3.98Å; L372-L388 HydrophobicContact CD1-CD1 4.47Å; L372-L388 HydrophobicContact CD1-CD2 3.92Å; L372-L388 HydrophobicContact CD1-CG 4.36Å; V384-L388 HydrophobicContact CG1-CD1 3.98Å; V384-L388 HydrophobicContact CG1-CG 4.21Å; V384-L388 WeakPolarHBondContact O-CG 3.41Å; V384-L388 PolarHBondContact O-N 3.29Å; H385-L388 PolarHBondContact O-N 2.76Å; L388-L391 HydrophobicContact CD2-CD1 4.49Å; L388-K392 WeakPolarHBondContact O-CG 3.21Å; L388-K392 PolarHBondContact O-N 2.9Å |
| 389 | K | 93.6 | Very high | 92.4 | Very high | 146 Ų | 146 | 64.9 Ų | 64.9 | 64% | 0.635 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -74.7 | -37.7 | 175.9 | -169.2 | 179.2 | 179.9 | -177.8 | 0 | 111.6 | H385 A386 Y387 K392 K393 | H385-K389 WeakPolarHBondContact O-CB 3.49Å; H385-K389 PolarHBondContact O-N 3.39Å; A386-K389 WeakPolarHBondContact O-CB 3.35Å; A386-K389 PolarHBondContact O-N 2.99Å; A386-K389 VanDerWaalsContact O-N 3.14Å; Y387-K389 PolarHBondContact O-N 3.32Å; K389-K392 PolarHBondContact O-N 3.4Å; K389-K393 PolarHBondContact O-N 2.84Å; K389-K393 VanDerWaalsContact O-N 3.11Å |
| 390 | S | 94.1 | Very high | 92 | Very high | 23 Ų | 23 | 65.3 Ų | 65.3 | 16% | 0.161 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.5 | -44.8 | 174.1 | 70 | 0 | 0 | 0 | 0 | 111.2 | F381 A386 Y387 K392 K393 E394 | F381-S390 WeakPolarHBondContact CZ-OG 3.37Å; A386-S390 PolarHBondContact O-N 3.48Å; Y387-S390 PolarHBondContact O-N 3.01Å; Y387-S390 PolarHBondContact O-OG 2.85Å; S390-K392 VanDerWaalsContact C-N 3.28Å; S390-K392 PolarHBondContact O-N 2.96Å; S390-K393 WeakPolarHBondContact O-CB 3.49Å; S390-K393 PolarHBondContact O-N 3.47Å; S390-K393 VanDerWaalsContact O-N 3.1Å; S390-E394 WeakPolarHBondContact O-CG 3.38Å; S390-E394 PolarHBondContact O-N 3.45Å |
| 391 | L | 91.6 | Very high | 90.7 | Very high | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.016 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.3 | -38.4 | 175.9 | -69.5 | 180 | 0 | 0 | 0 | 112.6 | F236 V239 Y387 L388 L395 | F236-L391 WeakPolarHBondContact CD1-O 3.38Å; F236-L391 WeakPolarHBondContact CE1-O 3.41Å; V239-L391 HydrophobicContact CG2-CB 3.6Å; V239-L391 HydrophobicContact CG2-CD1 4.39Å; Y387-L391 HydrophobicContact CD1-CD1 4.24Å; Y387-L391 HydrophobicContact CD2-CG 4.48Å; Y387-L391 HydrophobicContact CE1-CD1 3.66Å; Y387-L391 HydrophobicContact CE1-CG 4.41Å; Y387-L391 HydrophobicContact CE2-CD1 4.17Å; Y387-L391 HydrophobicContact CE2-CD2 4.2Å; Y387-L391 HydrophobicContact CE2-CG 4.06Å; Y387-L391 WeakPolarHBondContact O-CG 3.47Å; Y387-L391 PolarHBondContact O-N 3.02Å; Y387-L391 VanDerWaalsContact O-N 3.07Å; L388-L391 HydrophobicContact CD2-CD1 4.49Å; L391-L395 WeakPolarHBondContact O-CB 3.48Å; L391-L395 PolarHBondContact O-N 3.38Å |
| 392 | K | 90.9 | Very high | 90.6 | Very high | 71 Ų | 71 | 73.8 Ų | 73.8 | 31% | 0.309 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61 | -47.6 | 173.4 | -82.3 | 172.8 | 179.9 | -169 | 0 | 112.2 | V239 L388 K389 S390 L395 E396 | V239-K392 HydrophobicContact CB-CG 4.2Å; V239-K392 HydrophobicContact CG1-CB 4.19Å; V239-K392 HydrophobicContact CG1-CD 4.33Å; V239-K392 HydrophobicContact CG1-CG 3.23Å; V239-K392 HydrophobicContact CG2-CG 3.9Å; L388-K392 WeakPolarHBondContact O-CG 3.21Å; L388-K392 PolarHBondContact O-N 2.9Å; K389-K392 PolarHBondContact O-N 3.4Å; S390-K392 VanDerWaalsContact C-N 3.28Å; S390-K392 PolarHBondContact O-N 2.96Å; K392-L395 PolarHBondContact O-N 3.48Å; K392-E396 WeakPolarHBondContact O-CG 3.35Å; K392-E396 PolarHBondContact O-N 2.9Å |
| 393 | K | 93.1 | Very high | 90.5 | Very high | 121 Ų | 121 | 70.2 Ų | 70.2 | 53% | 0.526 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | -179.5 | -173.3 | 174.9 | -174.8 | -77 | 0 | 111.6 | K389 S390 L395 E396 E397 | K389-K393 PolarHBondContact O-N 2.84Å; K389-K393 VanDerWaalsContact O-N 3.11Å; S390-K393 WeakPolarHBondContact O-CB 3.49Å; S390-K393 PolarHBondContact O-N 3.47Å; S390-K393 VanDerWaalsContact O-N 3.1Å; K393-L395 PolarHBondContact O-N 2.89Å; K393-E396 PolarHBondContact O-N 3.34Å; K393-E397 WeakPolarHBondContact CG-OE1 3.39Å; K393-E397 IonicContact NZ-OE1 3.62Å; K393-E397 PolarHBondContact NZ-OE1 3.43Å; K393-E397 WeakPolarHBondContact O-CB 3.46Å; K393-E397 VanDerWaalsContact O-CG 3.29Å; K393-E397 WeakPolarHBondContact O-CG 3.4Å; K393-E397 PolarHBondContact O-N 2.93Å |
| 394 | E | 92.2 | Very high | 90.3 | Very high | 63 Ų | 63 | 72.6 Ų | 72.6 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 175.5 | -74.8 | 173.3 | -142.2 | 0 | 0 | 111.8 | K235 F236 S390 E397 E398 | K235-E394 WeakPolarHBondContact CE-OE2 3.4Å; K235-E394 IonicContact NZ-OE2 2.78Å; K235-E394 PolarHBondContact NZ-OE2 2.94Å; F236-E394 HydrophobicContact CE1-CB 3.69Å; F236-E394 HydrophobicContact CZ-CB 4.08Å; S390-E394 WeakPolarHBondContact O-CG 3.38Å; S390-E394 PolarHBondContact O-N 3.45Å; E394-E397 PolarHBondContact O-N 3.16Å; E394-E398 WeakPolarHBondContact O-CG 3.42Å; E394-E398 PolarHBondContact O-N 3.16Å |
| 395 | L | 90.2 | Very high | 90.1 | Very high | 38 Ų | 38 | 76.9 Ų | 76.9 | 20% | 0.199 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 175.5 | 178.6 | 145.6 | 0 | 0 | 0 | 112.5 | F236 R240 L391 K392 K393 E397 E398 S399 | F236-L395 HydrophobicContact CB-CB 4.48Å; F236-L395 HydrophobicContact CB-CD1 3.48Å; F236-L395 VanDerWaalsContact CB-CD1 3.48Å; F236-L395 HydrophobicContact CD1-CB 3.71Å; F236-L395 HydrophobicContact CD1-CD1 4.3Å; F236-L395 HydrophobicContact CE1-CB 4.05Å; F236-L395 HydrophobicContact CG-CB 4.04Å; F236-L395 HydrophobicContact CG-CD1 3.87Å; F236-L395 HydrophobicContact CG-CG 4.43Å; R240-L395 HydrophobicContact CG-CD1 3.58Å; L391-L395 WeakPolarHBondContact O-CB 3.48Å; L391-L395 PolarHBondContact O-N 3.38Å; K392-L395 PolarHBondContact O-N 3.48Å; K393-L395 PolarHBondContact O-N 2.89Å; L395-E397 VanDerWaalsContact C-N 3.33Å; L395-E398 PolarHBondContact O-N 3.44Å; L395-S399 WeakPolarHBondContact O-CB 3.43Å; L395-S399 PolarHBondContact O-N 3.46Å; L395-S399 PolarHBondContact O-OG 3.09Å |
| 396 | E | 90.9 | Very high | 89.8 | Confident | 117 Ų | 117 | 78.3 Ų | 78.3 | 55% | 0.547 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 177.9 | -73.5 | 167.7 | -167.9 | 0 | 0 | 111 | K392 K393 S399 S400 | K392-E396 WeakPolarHBondContact O-CG 3.35Å; K392-E396 PolarHBondContact O-N 2.9Å; K393-E396 PolarHBondContact O-N 3.34Å; E396-S399 WeakPolarHBondContact CA-OG 3.46Å; E396-S399 PolarHBondContact O-N 3.39Å; E396-S399 PolarHBondContact O-OG 3.43Å; E396-S400 WeakPolarHBondContact O-CB 3.32Å; E396-S400 PolarHBondContact O-N 3.32Å; E396-S400 VanDerWaalsContact O-N 3.09Å; E396-S400 PolarHBondContact O-OG 3.4Å |
| 397 | E | 92.5 | Very high | 89.4 | Confident | 93 Ų | 93 | 81.4 Ų | 81.4 | 44% | 0.435 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.3 | -38.5 | 175.7 | -72.7 | 172.2 | -169.9 | 0 | 0 | 112.8 | K393 E394 L395 S400 K401 | K393-E397 WeakPolarHBondContact CG-OE1 3.39Å; K393-E397 IonicContact NZ-OE1 3.62Å; K393-E397 PolarHBondContact NZ-OE1 3.43Å; K393-E397 WeakPolarHBondContact O-CB 3.46Å; K393-E397 VanDerWaalsContact O-CG 3.29Å; K393-E397 WeakPolarHBondContact O-CG 3.4Å; K393-E397 PolarHBondContact O-N 2.93Å; E394-E397 PolarHBondContact O-N 3.16Å; L395-E397 VanDerWaalsContact C-N 3.33Å; E397-S400 PolarHBondContact O-N 2.97Å; E397-K401 PolarHBondContact O-N 3.11Å |
| 398 | E | 88.8 | Confident | 89 | Confident | 96 Ų | 96 | 85.6 Ų | 85.6 | 45% | 0.449 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.3 | -37.3 | 174.6 | -75 | 178.4 | -165.3 | 0 | 0 | 112.4 | F236 E394 L395 S400 K401 | F236-E398 WeakPolarHBondContact CE2-OE2 3.5Å; F236-E398 VanDerWaalsContact CZ-OE1 3.31Å; F236-E398 WeakPolarHBondContact CZ-OE1 3.11Å; F236-E398 WeakPolarHBondContact CZ-OE2 3.24Å; E394-E398 WeakPolarHBondContact O-CG 3.42Å; E394-E398 PolarHBondContact O-N 3.16Å; L395-E398 PolarHBondContact O-N 3.44Å; E398-S400 PolarHBondContact O-N 3.37Å; E398-K401 PolarHBondContact O-N 3.3Å |
| 399 | S | 85.4 | Confident | 88.8 | Confident | 87 Ų | 87 | 91.6 Ų | 91.6 | 61% | 0.608 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -72.3 | -18.3 | 176.2 | 68.6 | 0 | 0 | 0 | 0 | 114.1 | L395 E396 | L395-S399 WeakPolarHBondContact O-CB 3.43Å; L395-S399 PolarHBondContact O-N 3.46Å; L395-S399 PolarHBondContact O-OG 3.09Å; E396-S399 WeakPolarHBondContact CA-OG 3.46Å; E396-S399 PolarHBondContact O-N 3.39Å; E396-S399 PolarHBondContact O-OG 3.43Å |
| 400 | S | 81.8 | Confident | 88.4 | Confident | 105 Ų | 105 | 87.1 Ų | 87.1 | 73% | 0.734 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -8.3 | 178.6 | -57.3 | 0 | 0 | 0 | 0 | 113.1 | E396 E397 E398 | E396-S400 WeakPolarHBondContact O-CB 3.32Å; E396-S400 PolarHBondContact O-N 3.32Å; E396-S400 VanDerWaalsContact O-N 3.09Å; E396-S400 PolarHBondContact O-OG 3.4Å; E397-S400 PolarHBondContact O-N 2.97Å; E398-S400 PolarHBondContact O-N 3.37Å |
| 401 | K | 68.9 | Low | 87.8 | Confident | 228 Ų | 228 | 92.9 Ų | 92.9 | 99% | 0.991 | 46% | 0.464 | S | S | * | . | trans | -90.4 | 0 | 170.8 | -78.6 | 174.6 | 179.8 | 170.3 | 0 | 109.6 | E397 E398 | E397-K401 PolarHBondContact O-N 3.11Å; E398-K401 PolarHBondContact O-N 3.3Å |
Retrieved 401 of 401 residues in 420.2 ms
(Link to these results)