| 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 | 39.4 | Very low | 46.1 | Very low | 236 Ų | 236 | 153.4 Ų | 153.4 | 100% | 1.163 | 85% | 0.851 | S | S | * | * | 0 | 89.4 | 0 | -62.1 | 170.5 | 92.8 | 0 | 0 | 105.6 | |||||
| 2 | L | 40.6 | Very low | 46.1 | Very low | 179 Ų | 179 | 154.6 Ų | 154.6 | 94% | 0.937 | 85% | 0.845 | S | S | * | * | 45 | 121.1 | 101.1 | -55.7 | 179.2 | 0 | 0 | 0 | 111.2 | |||||
| 3 | A | 49.6 | Very low | 46.1 | Very low | 102 Ų | 102 | 150.9 Ų | 150.9 | 84% | 0.843 | 84% | 0.838 | S | S | * | * | cis | -157.5 | 154.4 | 43.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 4 | V | 46.2 | Very low | 46.2 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | trans | -75.1 | 146.5 | 169 | 166 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 5 | G | 46 | Very low | 46.5 | Very low | 72 Ų | 72 | 149.5 Ų | 149.5 | 74% | 0.742 | 83% | 0.831 | S | S | * | * | trans | -155.2 | 88.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 6 | Q | 44.1 | Very low | 46.8 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 77% | 0.771 | 83% | 0.827 | S | S | * | * | 84.1 | 107.5 | 92.1 | -161.8 | 118.9 | 3.5 | 0 | 0 | 112.2 | |||||
| 7 | M | 51.8 | Low | 46.9 | Very low | 180 Ų | 180 | 149.4 Ų | 149.4 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | trans | -86.3 | 128.1 | 170.9 | 32.7 | 169 | 117 | 0 | 0 | 108.1 | ||||
| 8 | D | 49.8 | Very low | 46.7 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 81% | 0.807 | 83% | 0.826 | S | S | * | * | trans | -118.9 | 101.2 | 168 | -105.5 | -67 | 0 | 0 | 0 | 109.4 | ||||
| 9 | A | 49.4 | Very low | 46.6 | Very low | 95 Ų | 95 | 143.2 Ų | 143.2 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -90.9 | 125.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 10 | N | 39.6 | Very low | 47 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 63% | 0.631 | 82% | 0.821 | S | S | * | * | trans | 161.2 | 107.5 | 146.3 | -177.3 | 24.8 | 0 | 0 | 0 | 109.4 | ||||
| 11 | R | 50.7 | Low | 47.5 | Very low | 247 Ų | 247 | 141.5 Ų | 141.5 | 93% | 0.932 | 82% | 0.82 | S | S | * | * | trans | -149.4 | 96.1 | 134.5 | -76.7 | -150 | 163.2 | -127.5 | -5.2 | 109.5 | S13 | R11-S13 PolarHBondContact O-N 3.4Š| ||
| 12 | Q | 46 | Very low | 48.1 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -48.3 | 124.8 | 159.5 | -60.4 | 164.6 | 10.9 | 0 | 0 | 109.6 | ||||
| 13 | S | 46.5 | Very low | 48.6 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -118.7 | 77.1 | 165.7 | -152.2 | 0 | 0 | 0 | 0 | 107.4 | R11 | R11-S13 PolarHBondContact O-N 3.4Š| ||
| 14 | A | 47.8 | Very low | 48.5 | Very low | 88 Ų | 88 | 133.8 Ų | 133.8 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -102.5 | 84.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 15 | F | 49.7 | Very low | 48.7 | Very low | 192 Ų | 192 | 135.2 Ų | 135.2 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | -96.5 | 92.4 | 164.4 | -75.7 | -79 | 0 | 0 | 0 | 108.8 | ||||
| 16 | V | 51.7 | Low | 48.9 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | 22.5 | 104.7 | 143.5 | -169.7 | 0 | 0 | 0 | 0 | 116.2 | G18 | V16-G18 PolarHBondContact O-N 3.23Š| ||
| 17 | L | 48.8 | Very low | 49.2 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -58 | 101.6 | 154.2 | -72.2 | 162.7 | 0 | 0 | 0 | 108.6 | S19 | L17-S19 VanDerWaalsContact C-N 3.33Å; L17-S19 PolarHBondContact O-N 3.37Å | ||
| 18 | G | 42.3 | Very low | 48.6 | Very low | 72 Ų | 72 | 138.7 Ų | 138.7 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -65.4 | 93.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | V16 | V16-G18 PolarHBondContact O-N 3.23Š| ||
| 19 | S | 46.5 | Very low | 48.9 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 120.1 | 166.2 | 42.2 | 0 | 0 | 0 | 0 | 109 | L17 P21 | L17-S19 VanDerWaalsContact C-N 3.33Å; L17-S19 PolarHBondContact O-N 3.37Å; S19-P21 WeakPolarHBondContact O-CD 3.49Å |
| 20 | T | 53.8 | Low | 48.8 | Very low | 130 Ų | 130 | 139 Ų | 139 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 119.2 | 166.8 | 46.4 | 0 | 0 | 0 | 0 | 108.7 | L22 | T20-L22 PolarHBondContact O-N 3.14Š|
| 21 | P | 57.3 | Low | 49.3 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 124.7 | 174.5 | 28.6 | -31.4 | 0 | 0 | 0 | 110.4 | S19 A23 | S19-P21 WeakPolarHBondContact O-CD 3.49Å; P21-A23 PolarHBondContact O-N 3.36Å |
| 22 | L | 52.7 | Low | 49.1 | Very low | 181 Ų | 181 | 137.9 Ų | 137.9 | 95% | 0.948 | 79% | 0.785 | S | S | * | * | trans | -66.1 | 109.1 | 161.2 | -103.7 | 127.1 | 0 | 0 | 0 | 108.9 | T20 | T20-L22 PolarHBondContact O-N 3.14Š| ||
| 23 | A | 51.5 | Low | 49.2 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -124.9 | 104.9 | 157.2 | 0 | 0 | 0 | 0 | 0 | 105.7 | P21 | P21-A23 PolarHBondContact O-N 3.36Š| ||
| 24 | A | 46.9 | Very low | 49 | Very low | 82 Ų | 82 | 136.4 Ų | 136.4 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | 65.1 | 102.5 | 72 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 25 | L | 50.7 | Low | 48.7 | Very low | 172 Ų | 172 | 140 Ų | 140 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | trans | 67.6 | 138.1 | 147.3 | -85.7 | 136.9 | 0 | 0 | 0 | 120.1 | ||||
| 26 | H | 48.5 | Very low | 48.3 | Very low | 187 Ų | 187 | 139.8 Ų | 139.8 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | 89.1 | 95.9 | 164.8 | -125.4 | -118.8 | 0 | 0 | 0 | 116.8 | ||||
| 27 | N | 50.7 | Low | 48.2 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 65% | 0.647 | 80% | 0.795 | S | S | * | * | 172.7 | 92.3 | 122.2 | -166.4 | 11.2 | 0 | 0 | 0 | 110.7 | |||||
| 28 | M | 40 | Very low | 47.6 | Very low | 181 Ų | 181 | 142.3 Ų | 142.3 | 89% | 0.892 | 80% | 0.795 | S | S | * | * | trans | -151.9 | 77.5 | 160.8 | 37.7 | -174 | 54.2 | 0 | 0 | 110.6 | ||||
| 29 | T | 55.4 | Low | 47.5 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -145.3 | 70.7 | 154.4 | -51 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 30 | E | 48.5 | Very low | 47.2 | Very low | 131 Ų | 131 | 145.3 Ų | 145.3 | 61% | 0.612 | 80% | 0.797 | S | S | * | * | trans | -157 | 95.3 | 154.5 | 43.8 | -171 | 159.9 | 0 | 0 | 110.4 | K32 | E30-K32 PolarHBondContact O-N 3.15Š| ||
| 31 | M | 49.3 | Very low | 46.9 | Very low | 170 Ų | 170 | 147.1 Ų | 147.1 | 84% | 0.837 | 80% | 0.797 | S | S | * | * | trans | -53 | 114.7 | 148.6 | 45.4 | -103 | 173.2 | 0 | 0 | 109.8 | ||||
| 32 | K | 47 | Very low | 46 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -149.5 | 87.1 | 162.1 | -104.5 | 161 | -176.9 | 177.2 | 0 | 110.4 | E30 | E30-K32 PolarHBondContact O-N 3.15Š| ||
| 33 | T | 48.4 | Very low | 45.4 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | 24.5 | 114.5 | 132.9 | 60.8 | 0 | 0 | 0 | 0 | 117 | L35 | T33-L35 PolarHBondContact O-N 3.12Š| ||
| 34 | S | 42 | Very low | 45.4 | Very low | 121 Ų | 121 | 148.9 Ų | 148.9 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -47.8 | 122.4 | 165.5 | -49.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 35 | L | 42 | Very low | 45.1 | Very low | 162 Ų | 162 | 150.1 Ų | 150.1 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -93.6 | 104.3 | 167.2 | -131.7 | 78.7 | 0 | 0 | 0 | 107.9 | T33 | T33-L35 PolarHBondContact O-N 3.12Š| ||
| 36 | F | 40.5 | Very low | 44.4 | Very low | 189 Ų | 189 | 145.5 Ų | 145.5 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | -135.7 | 120 | 156.1 | -94 | -77.2 | 0 | 0 | 0 | 107 | ||||
| 37 | P | 49.4 | Very low | 44 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | trans | -88 | 116.1 | 173.6 | 32.6 | -25.7 | 0 | 0 | 0 | 108.6 | ||||
| 38 | Y | 35.7 | Very low | 43.7 | Very low | 228 Ų | 228 | 150.8 Ų | 150.8 | 89% | 0.894 | 82% | 0.816 | S | S | * | * | trans | -118.9 | 130.2 | 158.3 | -110.8 | -88.7 | 0 | 0 | 0 | 108.6 | ||||
| 39 | A | 40.3 | Very low | 44 | Very low | 90 Ų | 90 | 146.9 Ų | 146.9 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | trans | -67.1 | 143.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 40 | L | 40.9 | Very low | 43.6 | Very low | 153 Ų | 153 | 146.9 Ų | 146.9 | 80% | 0.801 | 82% | 0.815 | S | S | * | * | -176.8 | 128.8 | 129.6 | -107 | 163.6 | 0 | 0 | 0 | 112.6 | |||||
| 41 | Q | 47.3 | Very low | 43.5 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | 58.4 | 110.5 | 140.2 | -143.2 | 86.4 | -6.4 | 0 | 0 | 120.8 | ||||
| 42 | Q | 37.7 | Very low | 43.4 | Very low | 192 Ų | 192 | 145.9 Ų | 145.9 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | -72.9 | 138.4 | 159.4 | -72.2 | 163.4 | -11.6 | 0 | 0 | 112.1 | ||||
| 43 | S | 41 | Very low | 43.4 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | -175.9 | 153.1 | 125.4 | -144.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 44 | P | 50.3 | Low | 43 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 76% | 0.76 | 82% | 0.824 | S | S | * | * | trans | -109.5 | 157.2 | -153.3 | 40.5 | -32.1 | 0 | 0 | 0 | 114.8 | ||||
| 45 | A | 40.5 | Very low | 43.4 | Very low | 107 Ų | 107 | 146.9 Ų | 146.9 | 88% | 0.884 | 83% | 0.83 | S | S | * | * | trans | 162.2 | 135.3 | 137.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 46 | G | 37.2 | Very low | 43.3 | Very low | 75 Ų | 75 | 143.8 Ų | 143.8 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | 105.4 | 74.7 | 152.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 47 | F | 40.5 | Very low | 43.8 | Very low | 212 Ų | 212 | 140.1 Ų | 140.1 | 93% | 0.93 | 82% | 0.82 | S | S | * | * | trans | -73.1 | 121 | 163.4 | -67.7 | -87.5 | 0 | 0 | 0 | 111 | ||||
| 48 | K | 42.8 | Very low | 43.5 | Very low | 207 Ų | 207 | 142.6 Ų | 142.6 | 90% | 0.9 | 82% | 0.821 | S | S | * | * | trans | -142 | 108.9 | 149.6 | -88 | -171.2 | 176.1 | -178.7 | 0 | 108.3 | ||||
| 49 | A | 47.8 | Very low | 43.8 | Very low | 100 Ų | 100 | 139.7 Ų | 139.7 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | -80.1 | 140.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 50 | P | 46.2 | Very low | 43.9 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | trans | -89.3 | 132.6 | 159.7 | 31.6 | -26.2 | 0 | 0 | 0 | 110.9 | ||||
| 51 | S | 45.7 | Very low | 44.1 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 69% | 0.685 | 82% | 0.821 | S | S | * | * | trans | -38.5 | 129.3 | 168.3 | 168.3 | 0 | 0 | 0 | 0 | 114.1 | S53 | S51-S53 PolarHBondContact O-N 2.74Å; S51-S53 PolarHBondContact OG-OG 3.1Å | ||
| 52 | L | 48.1 | Very low | 43.9 | Very low | 183 Ų | 183 | 132.6 Ų | 132.6 | 96% | 0.958 | 82% | 0.817 | S | S | * | * | trans | -78.6 | 94.3 | 163.3 | -69.4 | 173.8 | 0 | 0 | 0 | 108.9 | ||||
| 53 | S | 47.8 | Very low | 44.7 | Very low | 95 Ų | 95 | 129.1 Ų | 129.1 | 66% | 0.664 | 81% | 0.81 | S | S | * | * | trans | -131.7 | 132.2 | 167.1 | 46.6 | 0 | 0 | 0 | 0 | 108.7 | S51 | S51-S53 PolarHBondContact O-N 2.74Å; S51-S53 PolarHBondContact OG-OG 3.1Å | ||
| 54 | N | 39.6 | Very low | 45.4 | Very low | 156 Ų | 156 | 129 Ų | 129 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | 84.7 | 86.7 | 179.1 | -83.1 | -5.7 | 0 | 0 | 0 | 118.4 | S56 | N54-S56 VanDerWaalsContact C-N 3.33Å; N54-S56 PolarHBondContact O-N 3.12Å; N54-S56 VanDerWaalsContact O-N 3.14Å | ||
| 55 | L | 50.9 | Low | 45.7 | Very low | 185 Ų | 185 | 130.2 Ų | 130.2 | 97% | 0.969 | 80% | 0.801 | S | S | * | * | trans | -56.7 | 95.1 | 135.3 | -170.7 | 75.1 | 0 | 0 | 0 | 109.1 | ||||
| 56 | S | 39.5 | Very low | 46.9 | Very low | 97 Ų | 97 | 127 Ų | 127 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -147.6 | 118.2 | 158.8 | -171.6 | 0 | 0 | 0 | 0 | 109.4 | N54 Q58 | N54-S56 VanDerWaalsContact C-N 3.33Å; N54-S56 PolarHBondContact O-N 3.12Å; N54-S56 VanDerWaalsContact O-N 3.14Å; S56-Q58 PolarHBondContact O-N 3.37Å | ||
| 57 | S | 50.6 | Low | 48 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -25.6 | 112.5 | 170.4 | -48.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 58 | Q | 43.1 | Very low | 49 | Very low | 173 Ų | 173 | 124.6 Ų | 124.6 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | trans | -155.5 | 84.5 | 150.1 | -143.1 | 167.2 | -88.3 | 0 | 0 | 112.4 | S56 S60 | S56-Q58 PolarHBondContact O-N 3.37Å; Q58-S60 PolarHBondContact O-N 3.44Å; Q58-S60 VanDerWaalsContact O-N 3.15Å | ||
| 59 | I | 41.8 | Very low | 50 | Low | 168 Ų | 168 | 118.4 Ų | 118.4 | 86% | 0.862 | 74% | 0.74 | S | S | * | * | trans | -57.9 | 106.3 | 155.4 | 31.6 | 169.1 | 0 | 0 | 0 | 108.8 | G61 | I59-G61 PolarHBondContact O-N 3.02Å; I59-G61 VanDerWaalsContact O-N 3.12Å | ||
| 60 | S | 42.4 | Very low | 50.7 | Low | 121 Ų | 121 | 119.8 Ų | 119.8 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | trans | -74.8 | 93.3 | 164.6 | -66.7 | 0 | 0 | 0 | 0 | 108.8 | Q58 | Q58-S60 PolarHBondContact O-N 3.44Å; Q58-S60 VanDerWaalsContact O-N 3.15Å | ||
| 61 | G | 45.5 | Very low | 51.5 | Low | 71 Ų | 71 | 121.2 Ų | 121.2 | 73% | 0.732 | 73% | 0.733 | S | S | * | * | trans | -165.8 | 118.6 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | I59 | I59-G61 PolarHBondContact O-N 3.02Å; I59-G61 VanDerWaalsContact O-N 3.12Å | ||
| 62 | G | 42.3 | Very low | 52 | Low | 70 Ų | 70 | 119.3 Ų | 119.3 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 119 | 127 | 165.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 63 | T | 55.4 | Low | 52.6 | Low | 120 Ų | 120 | 119.8 Ų | 119.8 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | trans | -0.5 | 141.2 | 154.5 | 44.1 | 0 | 0 | 0 | 0 | 118.1 | H65 | T63-H65 PolarHBondContact O-N 2.89Š| ||
| 64 | P | 56.4 | Low | 52.6 | Low | 120 Ų | 120 | 120.4 Ų | 120.4 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -71.4 | 27.8 | -168.3 | 31.6 | -38.3 | 0 | 0 | 0 | 116.3 | ||
| 65 | H | 55.9 | Low | 53.3 | Low | 142 Ų | 142 | 121.5 Ų | 121.5 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | trans | -136.6 | 95.7 | 175.8 | -60.8 | 77.2 | 0 | 0 | 0 | 108.7 | T63 | T63-H65 PolarHBondContact O-N 2.89Š| ||
| 66 | G | 66.1 | Low | 52.9 | Low | 39 Ų | 39 | 118.3 Ų | 118.3 | 40% | 0.402 | 71% | 0.712 | S | S | . | * | trans | -73.3 | 154.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S68 D69 | G66-S68 PolarHBondContact O-N 3.29Å; G66-D69 PolarHBondContact O-N 3.24Å | ||
| 67 | I | 59.4 | Low | 53.3 | Low | 137 Ų | 137 | 120.3 Ų | 120.3 | 70% | 0.703 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | -23.5 | 179.3 | -84.8 | 162.6 | 0 | 0 | 0 | 113 | D69 I70 | I67-D69 VanDerWaalsContact C-N 3.32Å; I67-D69 PolarHBondContact O-N 2.95Å; I67-I70 PolarHBondContact O-N 3.36Å |
| 68 | S | 62.2 | Low | 52.9 | Low | 100 Ų | 100 | 119.4 Ų | 119.4 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -61.3 | -33.2 | 175.6 | -33.5 | 0 | 0 | 0 | 0 | 113.7 | G66 I70 | G66-S68 PolarHBondContact O-N 3.29Å; S68-I70 VanDerWaalsContact C-N 3.29Å; S68-I70 PolarHBondContact O-N 3.02Å |
| 69 | D | 63.2 | Low | 53 | Low | 77 Ų | 77 | 114.6 Ų | 114.6 | 41% | 0.412 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -72.4 | -21.5 | -179.5 | -87.7 | -84.7 | 0 | 0 | 0 | 113.5 | G66 I67 R73 | G66-D69 PolarHBondContact O-N 3.24Å; I67-D69 VanDerWaalsContact C-N 3.32Å; I67-D69 PolarHBondContact O-N 2.95Å; D69-R73 IonicContact OD1-NH2 2.9Å |
| 70 | I | 61.7 | Low | 53.2 | Low | 129 Ų | 129 | 114.6 Ų | 114.6 | 66% | 0.662 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -81.5 | -31.8 | -176.5 | -58.3 | 176.4 | 0 | 0 | 0 | 110.8 | I67 S68 | I67-I70 PolarHBondContact O-N 3.36Å; S68-I70 VanDerWaalsContact C-N 3.29Å; S68-I70 PolarHBondContact O-N 3.02Å |
| 71 | L | 63.9 | Low | 53.6 | Low | 152 Ų | 152 | 115.7 Ų | 115.7 | 80% | 0.796 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -93.1 | -10.9 | -173.3 | -62.6 | 175.1 | 0 | 0 | 0 | 113.8 | ||
| 72 | G | 56.7 | Low | 53.6 | Low | 58 Ų | 58 | 120.5 Ų | 120.5 | 60% | 0.598 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -106.2 | 1.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | P74 | G72-P74 VanDerWaalsContact O-CD 3.26Å; G72-P74 WeakPolarHBondContact O-CD 3.45Å |
| 73 | R | 60 | Low | 53.7 | Low | 193 Ų | 193 | 122.5 Ų | 122.5 | 73% | 0.728 | 72% | 0.719 | S | S | * | * | trans | -91.4 | 114.4 | -175.2 | -68 | -174.1 | -177.3 | -121.3 | -3 | 112.3 | D69 | D69-R73 IonicContact OD1-NH2 2.9Š| ||
| 74 | P | 47.4 | Very low | 53.3 | Low | 107 Ų | 107 | 119.5 Ų | 119.5 | 70% | 0.695 | 71% | 0.712 | S | S | * | * | trans | -67.6 | 132.9 | 164.7 | 28.3 | -31.8 | 0 | 0 | 0 | 109.3 | G72 T76 | G72-P74 VanDerWaalsContact O-CD 3.26Å; G72-P74 WeakPolarHBondContact O-CD 3.45Å; P74-T76 PolarHBondContact O-N 3.34Å | ||
| 75 | I | 54.7 | Low | 52.7 | Low | 179 Ų | 179 | 123.5 Ų | 123.5 | 92% | 0.918 | 72% | 0.718 | S | S | * | * | trans | -64.6 | 105.1 | 170.7 | -96.5 | 169.3 | 0 | 0 | 0 | 107.4 | ||||
| 76 | T | 43.6 | Very low | 52.3 | Low | 118 Ų | 118 | 122.9 Ų | 122.9 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | trans | -113.6 | 124.3 | 166 | 65.6 | 0 | 0 | 0 | 0 | 108.3 | P74 | P74-T76 PolarHBondContact O-N 3.34Š| ||
| 77 | T | 48 | Very low | 51.4 | Low | 139 Ų | 139 | 131.8 Ų | 131.8 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | trans | -59.3 | 156.9 | 171 | -135 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 78 | A | 41.2 | Very low | 51.1 | Low | 95 Ų | 95 | 133.3 Ų | 133.3 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | 98.7 | 111.3 | 171 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 79 | G | 44.9 | Very low | 50.3 | Low | 71 Ų | 71 | 135.8 Ų | 135.8 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | 92.4 | 111.1 | 124.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 80 | Q | 46.7 | Very low | 49.1 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 89.9 | 114.5 | 145 | -58.7 | -67.4 | 7.9 | 0 | 0 | 119.8 | ||||
| 81 | L | 50.2 | Low | 48.3 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | 58.7 | 94.7 | 141.7 | -48.6 | 176.5 | 0 | 0 | 0 | 117.9 | ||||
| 82 | L | 44.7 | Very low | 47.1 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | -179 | 147.4 | 115.3 | -94.1 | 150.3 | 0 | 0 | 0 | 111 | |||||
| 83 | S | 45.4 | Very low | 46.7 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -59.5 | 125.5 | -169.9 | 49 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 84 | G | 47.4 | Very low | 46 | Very low | 56 Ų | 56 | 134.5 Ų | 134.5 | 58% | 0.577 | 81% | 0.805 | S | S | * | * | 88.5 | 92.6 | 122.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 85 | F | 42.9 | Very low | 45.9 | Very low | 205 Ų | 205 | 136.3 Ų | 136.3 | 90% | 0.899 | 81% | 0.814 | S | S | * | * | trans | -167.4 | 132.8 | 134.6 | -76.9 | -66.2 | 0 | 0 | 0 | 108.4 | R87 | F85-R87 PolarHBondContact O-N 3.12Š| ||
| 86 | P | 47.6 | Very low | 45.3 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | trans | -78.9 | 122.1 | 175.2 | 29.6 | -29.2 | 0 | 0 | 0 | 110.9 | ||||
| 87 | R | 46.9 | Very low | 45.1 | Very low | 227 Ų | 227 | 131.9 Ų | 131.9 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | trans | -68.9 | 128.4 | 166.7 | -76.1 | -96.2 | -173.8 | 148.2 | -0.9 | 109.6 | F85 | F85-R87 PolarHBondContact O-N 3.12Š| ||
| 88 | I | 54.1 | Low | 45 | Very low | 169 Ų | 169 | 128.3 Ų | 128.3 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -88.4 | 102.4 | 165 | 48 | 155 | 0 | 0 | 0 | 109.2 | ||||
| 89 | N | 46 | Very low | 45.2 | Very low | 151 Ų | 151 | 132 Ų | 132 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | trans | -131.7 | 134.6 | 168.9 | -107.2 | 56.7 | 0 | 0 | 0 | 109.3 | ||||
| 90 | G | 37.3 | Very low | 45.1 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | 114.3 | 80.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | A92 | G90-A92 PolarHBondContact O-N 3.37Š| ||
| 91 | L | 44.5 | Very low | 45 | Very low | 188 Ų | 188 | 138.2 Ų | 138.2 | 98% | 0.984 | 81% | 0.811 | S | S | * | * | trans | -82 | 97.1 | 146.6 | -92.5 | 121.7 | 0 | 0 | 0 | 107.1 | ||||
| 92 | A | 39.7 | Very low | 44.5 | Very low | 88 Ų | 88 | 136 Ų | 136 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -100.2 | 120 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | G90 T94 | G90-A92 PolarHBondContact O-N 3.37Å; A92-T94 PolarHBondContact O-N 3Å | ||
| 93 | A | 48.4 | Very low | 45.3 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -64.2 | 127 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 94 | T | 44.5 | Very low | 45.2 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -121.9 | 104.5 | 163.1 | 58.3 | 0 | 0 | 0 | 0 | 108.3 | A92 | A92-T94 PolarHBondContact O-N 3Š| ||
| 95 | T | 46.1 | Very low | 44.8 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -58.1 | 123.3 | 159 | 46.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 96 | A | 40.3 | Very low | 45.3 | Very low | 100 Ų | 100 | 131 Ų | 131 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -152.8 | 137.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 97 | A | 39.7 | Very low | 45.1 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | -76.5 | 153 | -162.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 98 | G | 46.7 | Very low | 44.9 | Very low | 63 Ų | 63 | 135 Ų | 135 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | trans | 53.6 | 108.4 | 142.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 99 | M | 45.5 | Very low | 44.6 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | trans | -146.8 | 135.1 | 136.7 | -78.2 | -52.7 | 158.5 | 0 | 0 | 110.7 | ||||
| 100 | Y | 42.7 | Very low | 44.8 | Very low | 185 Ų | 185 | 134.4 Ų | 134.4 | 73% | 0.725 | 80% | 0.797 | S | S | * | * | trans | -41.1 | 145.1 | 179.3 | 59.2 | -82.2 | 0 | 0 | 0 | 117.1 | ||||
| 101 | F | 44.9 | Very low | 45.5 | Very low | 184 Ų | 184 | 136.3 Ų | 136.3 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | trans | -77.3 | 132.6 | 169.4 | -177.5 | -99.7 | 0 | 0 | 0 | 110.8 | P103 | F101-P103 HydrophobicContact CE1-CB 4.16Å; F101-P103 HydrophobicContact CE1-CG 4.04Å; F101-P103 HydrophobicContact CZ-CB 4.29Å | ||
| 102 | S | 40.1 | Very low | 45.8 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -141 | 126.6 | 163.3 | -97.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 103 | P | 59.8 | Low | 46.5 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | trans | -97.6 | 128.1 | 179.8 | 35.1 | -27.3 | 0 | 0 | 0 | 110.2 | F101 | F101-P103 HydrophobicContact CE1-CB 4.16Å; F101-P103 HydrophobicContact CE1-CG 4.04Å; F101-P103 HydrophobicContact CZ-CB 4.29Å | ||
| 104 | A | 43.9 | Very low | 46.6 | Very low | 93 Ų | 93 | 139 Ų | 139 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | 166.7 | 144.6 | 137 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 105 | V | 39.4 | Very low | 46.8 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | trans | 81.8 | 102.1 | 162.6 | -155.9 | 0 | 0 | 0 | 0 | 117.2 | R107 | V105-R107 PolarHBondContact O-N 3.43Š| ||
| 106 | S | 53.7 | Low | 47 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -31.7 | 111 | 159 | -58.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 107 | R | 43.9 | Very low | 47.7 | Very low | 221 Ų | 221 | 138.1 Ų | 138.1 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -132.2 | 127.9 | 154.3 | -63.9 | -165.6 | -151.7 | -135.1 | 8.1 | 108.3 | V105 | V105-R107 PolarHBondContact O-N 3.43Š| ||
| 108 | Y | 42.7 | Very low | 48.3 | Very low | 219 Ų | 219 | 143.5 Ų | 143.5 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | trans | -43.5 | 142.7 | 174.5 | -80.2 | -98.8 | 0 | 0 | 0 | 112.1 | K110 | Y108-K110 PolarHBondContact O-N 2.9Å; Y108-K110 VanDerWaalsContact O-N 3.09Å | ||
| 109 | P | 47.3 | Very low | 48.7 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | -66.4 | 115.9 | 174.4 | 28.3 | -30.8 | 0 | 0 | 0 | 108.5 | ||||
| 110 | K | 49.8 | Very low | 49.4 | Very low | 184 Ų | 184 | 141.9 Ų | 141.9 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -58.4 | 136.9 | 169.4 | -76.7 | 153 | 176.3 | 169.9 | 0 | 108.7 | Y108 L112 | Y108-K110 PolarHBondContact O-N 2.9Å; Y108-K110 VanDerWaalsContact O-N 3.09Å; K110-L112 PolarHBondContact O-N 3.14Å | ||
| 111 | P | 51.6 | Low | 50.6 | Low | 115 Ų | 115 | 139.4 Ų | 139.4 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | trans | -62.7 | 131.5 | 174.9 | 26.3 | -31.6 | 0 | 0 | 0 | 109 | A113 | P111-A113 PolarHBondContact O-N 2.85Š| ||
| 112 | L | 51.2 | Low | 51.3 | Low | 169 Ų | 169 | 138.2 Ų | 138.2 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -64.6 | 46.8 | 177.6 | -173.2 | 67.9 | 0 | 0 | 0 | 112.4 | K110 | K110-L112 PolarHBondContact O-N 3.14Š|
| 113 | A | 53.4 | Low | 52.6 | Low | 82 Ų | 82 | 142.5 Ų | 142.5 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -94.1 | -6.1 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P111 | P111-A113 PolarHBondContact O-N 2.85Š| ||
| 114 | E | 50.8 | Low | 51.9 | Low | 184 Ų | 184 | 142.8 Ų | 142.8 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -122 | 81.5 | -179.4 | -73.7 | -165.7 | 143.6 | 0 | 0 | 111.6 | ||||
| 115 | L | 48.5 | Very low | 52.5 | Low | 128 Ų | 128 | 141 Ų | 141 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | trans | -125.8 | 123.2 | 148.8 | -73.6 | 175.6 | 0 | 0 | 0 | 107.2 | G117 | L115-G117 PolarHBondContact O-N 3.4Š| ||
| 116 | P | 50.3 | Low | 53.5 | Low | 139 Ų | 139 | 140.4 Ų | 140.4 | 90% | 0.903 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 120.3 | 177.6 | 25.4 | -31.3 | 0 | 0 | 0 | 109.1 | ||
| 117 | G | 55.3 | Low | 53.5 | Low | 88 Ų | 88 | 142.6 Ų | 142.6 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 115.9 | -0.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | L115 | L115-G117 PolarHBondContact O-N 3.4Š|
| 118 | R | 53.8 | Low | 53.8 | Low | 219 Ų | 219 | 140 Ų | 140 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | -106.5 | 112.2 | 170.5 | -158.6 | 165.6 | -173.1 | 158.5 | 0.8 | 110.3 | ||||
| 119 | A | 53.7 | Low | 54.1 | Low | 86 Ų | 86 | 133.6 Ų | 133.6 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | -55.3 | 125.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | I121 | A119-I121 PolarHBondContact O-N 3.11Š| ||
| 120 | P | 60.2 | Low | 54 | Low | 115 Ų | 115 | 130.2 Ų | 130.2 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | trans | -58.2 | 135.7 | 176.3 | 23.6 | -31.4 | 0 | 0 | 0 | 108.1 | F122 | P120-F122 PolarHBondContact O-N 3.01Š| ||
| 121 | I | 69 | Low | 54.1 | Low | 134 Ų | 134 | 127 Ų | 127 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | trans | -64.6 | 91 | 172.4 | -60.2 | 170.7 | 0 | 0 | 0 | 106.3 | A119 W123 | A119-I121 PolarHBondContact O-N 3.11Å; I121-W123 HydrophobicContact CG2-CZ2 4.38Å; I121-W123 PolarHBondContact O-N 2.98Å; I121-W123 VanDerWaalsContact O-N 3.14Å | ||
| 122 | F | 59.2 | Low | 54.2 | Low | 158 Ų | 158 | 132 Ų | 132 | 69% | 0.693 | 75% | 0.748 | S | S | * | * | trans | -73.5 | 102.8 | 176.5 | 177.5 | -109.8 | 0 | 0 | 0 | 106.9 | P120 P124 | P120-F122 PolarHBondContact O-N 3.01Å; F122-P124 HydrophobicContact CD1-CB 4.1Å; F122-P124 HydrophobicContact CD1-CG 3.75Å; F122-P124 HydrophobicContact CE1-CB 3.59Å; F122-P124 HydrophobicContact CE1-CG 3.76Å; F122-P124 HydrophobicContact CZ-CB 4.28Å; F122-P124 WeakPolarHBondContact O-CD 3.45Å | ||
| 123 | W | 66.6 | Low | 54.1 | Low | 190 Ų | 190 | 134 Ų | 134 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | trans | -76.1 | 101.6 | 163.4 | -65.6 | 98.9 | 0 | 0 | 0 | 107.1 | I121 G125 V126 | I121-W123 HydrophobicContact CG2-CZ2 4.38Å; I121-W123 PolarHBondContact O-N 2.98Å; I121-W123 VanDerWaalsContact O-N 3.14Å; W123-G125 PolarHBondContact O-N 3.41Å; W123-V126 HydrophobicContact CB-CB 4.44Å; W123-V126 PolarHBondContact O-N 2.86Å | ||
| 124 | P | 46.5 | Very low | 53.6 | Low | 106 Ų | 106 | 135.7 Ų | 135.7 | 69% | 0.688 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 113.6 | 179 | -10.6 | 28.4 | 0 | 0 | 0 | 107.1 | F122 | F122-P124 HydrophobicContact CD1-CB 4.1Å; F122-P124 HydrophobicContact CD1-CG 3.75Å; F122-P124 HydrophobicContact CE1-CB 3.59Å; F122-P124 HydrophobicContact CE1-CG 3.76Å; F122-P124 HydrophobicContact CZ-CB 4.28Å; F122-P124 WeakPolarHBondContact O-CD 3.45Å |
| 125 | G | 56.8 | Low | 53.7 | Low | 54 Ų | 54 | 132.1 Ų | 132.1 | 56% | 0.557 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 115.7 | 0.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | W123 | W123-G125 PolarHBondContact O-N 3.41Š|
| 126 | V | 59.7 | Low | 53.6 | Low | 112 Ų | 112 | 136.3 Ų | 136.3 | 68% | 0.679 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -93.3 | -18.1 | 174.5 | 120.5 | 0 | 0 | 0 | 0 | 113.9 | W123 | W123-V126 HydrophobicContact CB-CB 4.44Å; W123-V126 PolarHBondContact O-N 2.86Å |
| 127 | M | 53.2 | Low | 53.6 | Low | 169 Ų | 169 | 135.6 Ų | 135.6 | 83% | 0.833 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -110.6 | -5.7 | -178.5 | -67.6 | -87.3 | 89 | 0 | 0 | 114.5 | ||
| 128 | Q | 50 | Low | 53.2 | Low | 167 Ų | 167 | 137.4 Ų | 137.4 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -133.3 | 113.7 | 172.2 | -83.9 | 173.6 | -11.3 | 0 | 0 | 108.1 | A130 | Q128-A130 PolarHBondContact O-N 3Å; Q128-A130 VanDerWaalsContact O-N 3.08Å |
| 129 | G | 49.4 | Very low | 52.5 | Low | 83 Ų | 83 | 132 Ų | 132 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | trans | -52.5 | 116.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 130 | A | 46.1 | Very low | 52.2 | Low | 53 Ų | 53 | 134.1 Ų | 134.1 | 44% | 0.438 | 73% | 0.73 | S | S | . | * | trans | -67.3 | 137.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q128 W132 | Q128-A130 PolarHBondContact O-N 3Å; Q128-A130 VanDerWaalsContact O-N 3.08Å; A130-W132 PolarHBondContact O-N 3Å | ||
| 131 | P | 51.4 | Low | 51.6 | Low | 115 Ų | 115 | 133.7 Ų | 133.7 | 75% | 0.747 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -67.9 | -1.1 | -179.3 | 26.6 | -33.9 | 0 | 0 | 0 | 114.2 | R133 D134 | P131-R133 PolarHBondContact O-N 3.41Å; P131-D134 PolarHBondContact O-N 3.08Å |
| 132 | W | 52.4 | Low | 50.8 | Low | 221 Ų | 221 | 136.7 Ų | 136.7 | 84% | 0.837 | 74% | 0.741 | S | S | * | * | trans | -69.5 | 18.5 | 172.7 | -49.2 | 106.1 | 0 | 0 | 0 | 114.3 | A130 | A130-W132 PolarHBondContact O-N 3Š| ||
| 133 | R | 50.8 | Low | 50.2 | Low | 211 Ų | 211 | 132.7 Ų | 132.7 | 80% | 0.796 | 74% | 0.737 | S | S | * | * | trans | -119.4 | 50.6 | 170 | -66.8 | -69.6 | -176.3 | -82.6 | -5 | 108.5 | P131 P135 | P131-R133 PolarHBondContact O-N 3.41Å; R133-P135 VanDerWaalsContact O-CD 3.23Å; R133-P135 WeakPolarHBondContact O-CD 3.36Å | ||
| 134 | D | 42.7 | Very low | 49.4 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 63% | 0.631 | 75% | 0.745 | S | S | * | * | trans | -76.1 | 114.4 | 167.8 | -156.4 | -22.7 | 0 | 0 | 0 | 108.6 | P131 R136 | P131-D134 PolarHBondContact O-N 3.08Å; D134-R136 PolarHBondContact O-N 3.35Å; D134-R136 WeakPolarHBondContact OD1-CG 3.41Å | ||
| 135 | P | 52.6 | Low | 49.7 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | trans | -82.7 | 5.9 | -176.3 | -5.9 | 25.4 | 0 | 0 | 0 | 113.5 | R133 V137 | R133-P135 VanDerWaalsContact O-CD 3.23Å; R133-P135 WeakPolarHBondContact O-CD 3.36Å; P135-V137 VanDerWaalsContact C-N 3.29Å; P135-V137 PolarHBondContact O-N 3.19Å; P135-V137 VanDerWaalsContact O-N 3.12Å | ||
| 136 | R | 46.7 | Very low | 49.2 | Very low | 216 Ų | 216 | 138 Ų | 138 | 82% | 0.815 | 76% | 0.757 | S | S | * | * | trans | -86.9 | 35 | -168 | -61 | -162.7 | -147.3 | -158.2 | 7.4 | 116.1 | D134 | D134-R136 PolarHBondContact O-N 3.35Å; D134-R136 WeakPolarHBondContact OD1-CG 3.41Å | ||
| 137 | V | 50.7 | Low | 48.7 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 76% | 0.758 | 76% | 0.761 | S | S | * | * | trans | -128.7 | 99.3 | 164.6 | -172.3 | 0 | 0 | 0 | 0 | 109.2 | P135 C139 | P135-V137 VanDerWaalsContact C-N 3.29Å; P135-V137 PolarHBondContact O-N 3.19Å; P135-V137 VanDerWaalsContact O-N 3.12Å; V137-C139 PolarHBondContact O-N 2.98Å; V137-C139 VanDerWaalsContact O-N 3.1Å | ||
| 138 | P | 45.2 | Very low | 48.8 | Very low | 126 Ų | 126 | 135 Ų | 135 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -70.2 | 103.9 | 169.4 | -11.6 | 27.4 | 0 | 0 | 0 | 108.9 | ||||
| 139 | C | 40.6 | Very low | 49.2 | Very low | 104 Ų | 104 | 137.3 Ų | 137.3 | 70% | 0.703 | 75% | 0.753 | S | S | * | * | trans | -88.4 | 126.8 | 160.7 | -175.9 | 0 | 0 | 0 | 0 | 107.5 | V137 S141 | V137-C139 PolarHBondContact O-N 2.98Å; V137-C139 VanDerWaalsContact O-N 3.1Å; C139-S141 PolarHBondContact O-N 3.37Å | ||
| 140 | P | 45.7 | Very low | 49.6 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | trans | -82.5 | 86 | -178 | 33.8 | -30.7 | 0 | 0 | 0 | 108.6 | ||||
| 141 | S | 48.4 | Very low | 50.3 | Low | 105 Ų | 105 | 140.2 Ų | 140.2 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -144.4 | 113.8 | 160.8 | -165.3 | 0 | 0 | 0 | 0 | 109.3 | C139 A143 | C139-S141 PolarHBondContact O-N 3.37Å; S141-A143 PolarHBondContact O-N 3.48Å |
| 142 | Q | 51.4 | Low | 50.6 | Low | 197 Ų | 197 | 142.4 Ų | 142.4 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | trans | -29.6 | 114 | -172.5 | -65.6 | 177.7 | -5 | 0 | 0 | 114.6 | ||||
| 143 | A | 46.6 | Very low | 51 | Low | 74 Ų | 74 | 140.7 Ų | 140.7 | 61% | 0.612 | 75% | 0.752 | S | S | * | * | trans | -94.5 | 118.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | S141 L145 | S141-A143 PolarHBondContact O-N 3.48Å; A143-L145 VanDerWaalsContact C-N 3.31Å; A143-L145 HydrophobicContact CB-CD2 3.97Å; A143-L145 HydrophobicContact CB-CG 4.21Å; A143-L145 PolarHBondContact O-N 2.99Å | ||
| 144 | N | 50.8 | Low | 51.9 | Low | 165 Ų | 165 | 139.1 Ų | 139.1 | 88% | 0.882 | 75% | 0.751 | S | S | * | * | trans | -69.8 | 92.6 | 163.7 | -157.7 | 24.3 | 0 | 0 | 0 | 107.3 | M146 | N144-M146 PolarHBondContact O-N 3.34Å; N144-M146 VanDerWaalsContact O-N 3.17Å | ||
| 145 | L | 51.7 | Low | 53.3 | Low | 141 Ų | 141 | 142 Ų | 142 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | -80.9 | 90.3 | -179.3 | -63.9 | 174.7 | 0 | 0 | 0 | 108.9 | A143 V147 | A143-L145 VanDerWaalsContact C-N 3.31Å; A143-L145 HydrophobicContact CB-CD2 3.97Å; A143-L145 HydrophobicContact CB-CG 4.21Å; A143-L145 PolarHBondContact O-N 2.99Å; L145-V147 PolarHBondContact O-N 3.16Å | ||
| 146 | M | 48.1 | Very low | 54.8 | Low | 156 Ų | 156 | 141.8 Ų | 141.8 | 77% | 0.768 | 76% | 0.762 | S | S | * | * | trans | -77.9 | 108.2 | 166.4 | -151.7 | 171.3 | 96.2 | 0 | 0 | 107.6 | N144 | N144-M146 PolarHBondContact O-N 3.34Å; N144-M146 VanDerWaalsContact O-N 3.17Å | ||
| 147 | V | 48.5 | Very low | 56.5 | Low | 125 Ų | 125 | 141.9 Ų | 141.9 | 76% | 0.758 | 76% | 0.762 | S | S | * | * | trans | -88.9 | 105.3 | -179.5 | -158.1 | 0 | 0 | 0 | 0 | 107.4 | L145 | L145-V147 PolarHBondContact O-N 3.16Š| ||
| 148 | D | 55.1 | Low | 58.2 | Low | 93 Ų | 93 | 141.8 Ų | 141.8 | 50% | 0.497 | 76% | 0.764 | S | S | . | * | trans | -68.8 | 149.7 | 169 | -73.9 | -68.4 | 0 | 0 | 0 | 110.5 | D150 G151 | D148-D150 PolarHBondContact O-N 3.1Å; D148-G151 PolarHBondContact O-N 3.44Å; D148-G151 VanDerWaalsContact O-N 3.16Å | ||
| 149 | K | 58 | Low | 60.5 | Low | 216 Ų | 216 | 142 Ų | 142 | 94% | 0.939 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -7.3 | -173.1 | -157.8 | 174.6 | 171.6 | -164.3 | 0 | 115 | ||
| 150 | D | 58.4 | Low | 63.1 | Low | 134 Ų | 134 | 140.1 Ų | 140.1 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 8.1 | -178.6 | -61 | -61.1 | 0 | 0 | 0 | 114.8 | D148 K152 | D148-D150 PolarHBondContact O-N 3.1Å; D150-K152 WeakPolarHBondContact O-CG 3.2Å; D150-K152 PolarHBondContact O-N 3.23Å |
| 151 | G | 59.7 | Low | 65.6 | Low | 63 Ų | 63 | 137 Ų | 137 | 65% | 0.649 | 72% | 0.724 | S | S | * | * | trans | 65.6 | 3.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | D148 K153 | D148-G151 PolarHBondContact O-N 3.44Å; D148-G151 VanDerWaalsContact O-N 3.16Å; G151-K153 PolarHBondContact O-N 3.34Å | ||
| 152 | K | 58.5 | Low | 67.9 | Low | 161 Ų | 161 | 134.6 Ų | 134.6 | 70% | 0.7 | 72% | 0.716 | S | S | * | * | trans | -87.8 | 105.1 | 174.7 | -46.4 | -63.6 | 178 | 170.4 | 0 | 108.5 | D150 K154 | D150-K152 WeakPolarHBondContact O-CG 3.2Å; D150-K152 PolarHBondContact O-N 3.23Å; K152-K154 VanDerWaalsContact C-N 3.32Å; K152-K154 PolarHBondContact O-N 3.24Å | ||
| 153 | K | 61.4 | Low | 70.2 | Confident | 185 Ų | 185 | 132.7 Ų | 132.7 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | -61 | 84.7 | 172.7 | 51.4 | -176.8 | 175.2 | -176.5 | 0 | 112.1 | G151 H155 | G151-K153 PolarHBondContact O-N 3.34Å; K153-H155 PolarHBondContact O-N 2.92Å | ||
| 154 | K | 69.4 | Low | 72.6 | Confident | 177 Ų | 177 | 131.1 Ų | 131.1 | 77% | 0.77 | 69% | 0.687 | S | S | * | * | trans | -74.3 | 118.8 | 168.5 | -67.2 | -161.6 | 179.3 | -179.5 | 0 | 107.8 | K152 S156 | K152-K154 VanDerWaalsContact C-N 3.32Å; K152-K154 PolarHBondContact O-N 3.24Å; K154-S156 VanDerWaalsContact C-N 3.29Å; K154-S156 PolarHBondContact O-N 3.09Å | ||
| 155 | H | 71.9 | Confident | 74.8 | Confident | 179 Ų | 179 | 126.8 Ų | 126.8 | 83% | 0.829 | 66% | 0.663 | S | S | * | * | trans | -67.1 | 94.3 | 170.7 | -77.2 | 68.9 | 0 | 0 | 0 | 107.7 | K153 | K153-H155 PolarHBondContact O-N 2.92Š| ||
| 156 | S | 84 | Confident | 77.1 | Confident | 104 Ų | 104 | 126.7 Ų | 126.7 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 137.7 | 170.5 | -171.6 | 0 | 0 | 0 | 0 | 108.6 | K154 P158 | K154-S156 VanDerWaalsContact C-N 3.29Å; K154-S156 PolarHBondContact O-N 3.09Å; S156-P158 WeakPolarHBondContact O-CD 3.34Å |
| 157 | R | 83.5 | Confident | 79.4 | Confident | 217 Ų | 217 | 120.4 Ų | 120.4 | 82% | 0.819 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 129.6 | 176.2 | -72.2 | -178.3 | -177.6 | -89 | 0.7 | 108 | T159 | R157-T159 PolarHBondContact O-N 3.47Š|
| 158 | P | 86.3 | Confident | 81.8 | Confident | 123 Ų | 123 | 114.4 Ų | 114.4 | 80% | 0.799 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 127 | 172.8 | -24.2 | 33.4 | 0 | 0 | 0 | 110 | S156 | S156-P158 WeakPolarHBondContact O-CD 3.34Š|
| 159 | T | 93.1 | Very high | 83.9 | Confident | 130 Ų | 130 | 111.6 Ų | 111.6 | 80% | 0.798 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 144.1 | 174 | 54.6 | 0 | 0 | 0 | 0 | 109.4 | R157 | R157-T159 PolarHBondContact O-N 3.47Š|
| 160 | F | 95.7 | Very high | 85.8 | Confident | 65 Ų | 65 | 106.8 Ų | 106.8 | 29% | 0.285 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -77.3 | 146.5 | 173.9 | -56.8 | -49.8 | 0 | 0 | 0 | 110 | Q164 I165 M192 Q196 W200 | F160-Q164 HydrophobicContact CB-CB 4.31Å; F160-I165 HydrophobicContact CB-CD1 4.37Å; F160-I165 HydrophobicContact CB-CG1 3.94Å; F160-M192 HydrophobicContact CD1-CE 3.51Å; F160-M192 HydrophobicContact CD1-SD 4.44Å; F160-M192 HydrophobicContact CD2-CE 4.33Å; F160-M192 HydrophobicContact CE1-CE 3.28Å; F160-M192 HydrophobicContact CE2-CE 4.15Å; F160-M192 HydrophobicContact CG-CE 4.05Å; F160-M192 HydrophobicContact CZ-CE 3.63Å; F160-Q196 HydrophobicContact CZ-CB 4.38Å; F160-W200 AromaticContact CD2-CD1 3.73Å; F160-W200 AromaticContact CE2-CD1 3.67Å |
| 161 | S | 97.4 | Very high | 87.7 | Confident | 67 Ų | 67 | 101.7 Ų | 101.7 | 47% | 0.469 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 153.2 | 174 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | Q163 Q164 I165 | S161-Q163 VanDerWaalsContact C-N 3.25Å; S161-Q163 PolarHBondContact O-N 3.38Å; S161-Q163 PolarHBondContact OG-N 2.87Å; S161-Q164 WeakPolarHBondContact O-CB 3.46Å; S161-Q164 PolarHBondContact O-N 2.96Å; S161-Q164 VanDerWaalsContact O-N 3.07Å; S161-I165 WeakPolarHBondContact O-CG1 3.48Å; S161-I165 PolarHBondContact O-N 3.29Å |
| 162 | G | 97.4 | Very high | 89.5 | Confident | 54 Ų | 54 | 98.9 Ų | 98.9 | 56% | 0.557 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -55.8 | -39.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q164 I165 F166 | G162-Q164 PolarHBondContact O-N 3.42Å; G162-I165 PolarHBondContact O-N 3.48Å; G162-F166 WeakPolarHBondContact O-CB 3.23Å; G162-F166 PolarHBondContact O-N 2.88Å |
| 163 | Q | 97.8 | Very high | 91.4 | Very high | 157 Ų | 157 | 97.5 Ų | 97.5 | 73% | 0.734 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.8 | -40.2 | 176.3 | -174.5 | -179.2 | 3.3 | 0 | 0 | 112.1 | S161 F166 A167 | S161-Q163 VanDerWaalsContact C-N 3.25Å; S161-Q163 PolarHBondContact O-N 3.38Å; S161-Q163 PolarHBondContact OG-N 2.87Å; Q163-F166 PolarHBondContact O-N 3.23Å; Q163-A167 PolarHBondContact O-N 3.45Å; Q163-A167 VanDerWaalsContact O-N 3.13Å |
| 164 | Q | 98 | Very high | 93.1 | Very high | 42 Ų | 42 | 95.8 Ų | 95.8 | 20% | 0.196 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -64.7 | -46.6 | 176.6 | -68.1 | 173.1 | -37.3 | 0 | 0 | 110.6 | F160 S161 G162 F166 A167 L168 L190 M192 | F160-Q164 HydrophobicContact CB-CB 4.31Å; S161-Q164 WeakPolarHBondContact O-CB 3.46Å; S161-Q164 PolarHBondContact O-N 2.96Å; S161-Q164 VanDerWaalsContact O-N 3.07Å; G162-Q164 PolarHBondContact O-N 3.42Å; Q164-F166 VanDerWaalsContact C-N 3.33Å; Q164-F166 PolarHBondContact O-N 3.24Å; Q164-A167 PolarHBondContact O-N 2.93Å; Q164-L168 WeakPolarHBondContact O-CB 3.23Å; Q164-L168 WeakPolarHBondContact O-CD1 3.32Å; Q164-L168 WeakPolarHBondContact O-CG 3.41Å; Q164-L168 PolarHBondContact O-N 3.33Å; Q164-L190 HydrophobicContact CG-CB 4.49Å; Q164-L190 HydrophobicContact CG-CD2 4.42Å; Q164-L190 PolarHBondContact NE2-O 3.29Å; Q164-M192 HydrophobicContact CB-SD 4.2Å; Q164-M192 HydrophobicContact CG-SD 4.29Å |
| 165 | I | 97.9 | Very high | 94.4 | Very high | 74 Ų | 74 | 89.4 Ų | 89.4 | 38% | 0.379 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 178 | -64.5 | 168.1 | 0 | 0 | 0 | 110.8 | F160 S161 G162 L168 E169 | F160-I165 HydrophobicContact CB-CD1 4.37Å; F160-I165 HydrophobicContact CB-CG1 3.94Å; S161-I165 WeakPolarHBondContact O-CG1 3.48Å; S161-I165 PolarHBondContact O-N 3.29Å; G162-I165 PolarHBondContact O-N 3.48Å; I165-L168 PolarHBondContact O-N 3.03Å; I165-E169 WeakPolarHBondContact O-CB 3.45Å; I165-E169 PolarHBondContact O-N 3Å |
| 166 | F | 98.3 | Very high | 95.6 | Very high | 138 Ų | 138 | 83.7 Ų | 83.7 | 61% | 0.605 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -59.8 | -48.8 | 179.5 | 174.7 | -99.7 | 0 | 0 | 0 | 112.2 | G162 Q163 Q164 L168 E169 K170 | G162-F166 WeakPolarHBondContact O-CB 3.23Å; G162-F166 PolarHBondContact O-N 2.88Å; Q163-F166 PolarHBondContact O-N 3.23Å; Q164-F166 VanDerWaalsContact C-N 3.33Å; Q164-F166 PolarHBondContact O-N 3.24Å; F166-L168 PolarHBondContact O-N 3.45Å; F166-E169 PolarHBondContact O-N 2.74Å; F166-K170 WeakPolarHBondContact O-CB 3.44Å; F166-K170 PolarHBondContact O-N 2.81Å |
| 167 | A | 97.9 | Very high | 96.3 | Very high | 24 Ų | 24 | 85.8 Ų | 85.8 | 20% | 0.198 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.3 | -38.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q163 Q164 E169 K170 T171 L190 | Q163-A167 PolarHBondContact O-N 3.45Å; Q163-A167 VanDerWaalsContact O-N 3.13Å; Q164-A167 PolarHBondContact O-N 2.93Å; A167-E169 VanDerWaalsContact C-N 3.34Å; A167-K170 PolarHBondContact O-N 3.02Å; A167-T171 WeakPolarHBondContact O-CB 3.36Å; A167-T171 PolarHBondContact O-N 3.33Å; A167-T171 PolarHBondContact O-OG1 2.78Å; A167-L190 HydrophobicContact CB-CD1 4.27Å; A167-L190 HydrophobicContact CB-CD2 3.67Å; A167-L190 HydrophobicContact CB-CG 4.47Å |
| 168 | L | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61 | -43.9 | 174.3 | -72.8 | 165 | 0 | 0 | 0 | 111.2 | Q164 I165 F166 T171 F172 L186 L190 M192 V197 W200 F201 | Q164-L168 WeakPolarHBondContact O-CB 3.23Å; Q164-L168 WeakPolarHBondContact O-CD1 3.32Å; Q164-L168 WeakPolarHBondContact O-CG 3.41Å; Q164-L168 PolarHBondContact O-N 3.33Å; I165-L168 PolarHBondContact O-N 3.03Å; F166-L168 PolarHBondContact O-N 3.45Å; L168-T171 PolarHBondContact O-N 2.91Å; L168-F172 WeakPolarHBondContact O-CB 3.26Å; L168-F172 PolarHBondContact O-N 3Å; L168-L186 HydrophobicContact CD2-CD2 3.93Å; L168-L190 HydrophobicContact CD1-CD1 4.48Å; L168-L190 HydrophobicContact CD2-CD1 3.93Å; L168-L190 HydrophobicContact CG-CD1 3.77Å; L168-M192 HydrophobicContact CD1-CE 4.28Å; L168-M192 HydrophobicContact CD1-SD 4.15Å; L168-V197 HydrophobicContact CD2-CG1 4.2Å; L168-V197 HydrophobicContact CD2-CG2 4.49Å; L168-W200 HydrophobicContact CB-CD2 3.96Å; L168-W200 HydrophobicContact CB-CE3 3.9Å; L168-W200 HydrophobicContact CB-CH2 3.66Å; L168-W200 HydrophobicContact CB-CZ2 3.68Å; L168-W200 HydrophobicContact CB-CZ3 3.76Å; L168-W200 HydrophobicContact CD1-CD2 3.84Å; L168-W200 HydrophobicContact CD1-CE3 4.49Å; L168-W200 HydrophobicContact CD1-CG 3.83Å; L168-W200 HydrophobicContact CD1-CZ2 4.48Å; L168-W200 HydrophobicContact CD2-CD2 4.32Å; L168-W200 HydrophobicContact CD2-CE3 4.23Å; L168-W200 HydrophobicContact CG-CD2 4.27Å; L168-W200 HydrophobicContact CG-CE3 4.44Å; L168-F201 HydrophobicContact CD2-CD2 4.47Å; L168-F201 HydrophobicContact CD2-CE2 3.96Å |
| 169 | E | 98.4 | Very high | 97.5 | Very high | 34 Ų | 34 | 73 Ų | 73 | 16% | 0.159 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.7 | -46.6 | 178.2 | -164.2 | 63.9 | -128.4 | 0 | 0 | 111.9 | I165 F166 A167 T171 F172 E173 W200 R204 | I165-E169 WeakPolarHBondContact O-CB 3.45Å; I165-E169 PolarHBondContact O-N 3Å; F166-E169 PolarHBondContact O-N 2.74Å; A167-E169 VanDerWaalsContact C-N 3.34Å; E169-T171 VanDerWaalsContact C-N 3.26Å; E169-T171 PolarHBondContact O-N 3.46Å; E169-F172 WeakPolarHBondContact O-CA 3.32Å; E169-F172 WeakPolarHBondContact O-CB 3.44Å; E169-F172 PolarHBondContact O-N 3.49Å; E169-E173 PolarHBondContact O-N 3.31Å; E169-W200 HydrophobicContact CB-CH2 4.45Å; E169-R204 VanDerWaalsContact CD-NE 3.31Å; E169-R204 IonicContact OE1-CZ 2.63Å; E169-R204 IonicContact OE1-NE 2.94Å; E169-R204 PolarHBondContact OE1-NE 3.16Å; E169-R204 IonicContact OE1-NH1 3.29Å; E169-R204 IonicContact OE1-NH2 3.98Å; E169-R204 PolarHBondContact OE1-NH2 3.43Å; E169-R204 IonicContact OE2-CZ 3.25Å; E169-R204 IonicContact OE2-NE 3.85Å; E169-R204 PolarHBondContact OE2-NE 2.87Å; E169-R204 IonicContact OE2-NH1 2.95Å; E169-R204 PolarHBondContact OE2-NH1 3.14Å; E169-R204 IonicContact OE2-NH2 3.27Å; E169-R204 PolarHBondContact OE2-NH2 3.37Å |
| 170 | K | 98.3 | Very high | 97.7 | Very high | 114 Ų | 114 | 68.4 Ų | 68.4 | 50% | 0.496 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -55.5 | -43.3 | 175.6 | -175.7 | 178.3 | -177.8 | 179.7 | 0 | 111.8 | F166 A167 Q174 | F166-K170 WeakPolarHBondContact O-CB 3.44Å; F166-K170 PolarHBondContact O-N 2.81Å; A167-K170 PolarHBondContact O-N 3.02Å; K170-Q174 PolarHBondContact O-N 3.01Å |
| 171 | T | 97.6 | Very high | 97.8 | Very high | 28 Ų | 28 | 69.9 Ų | 69.9 | 17% | 0.172 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69.6 | -37.3 | 177.2 | -47.6 | 0 | 0 | 0 | 0 | 111.2 | A167 L168 E169 E173 Q174 T175 L178 L186 F201 | A167-T171 WeakPolarHBondContact O-CB 3.36Å; A167-T171 PolarHBondContact O-N 3.33Å; A167-T171 PolarHBondContact O-OG1 2.78Å; L168-T171 PolarHBondContact O-N 2.91Å; E169-T171 VanDerWaalsContact C-N 3.26Å; E169-T171 PolarHBondContact O-N 3.46Å; T171-E173 VanDerWaalsContact C-N 3.32Å; T171-E173 PolarHBondContact O-N 3.44Å; T171-Q174 WeakPolarHBondContact O-CB 3.1Å; T171-Q174 PolarHBondContact O-N 3.5Å; T171-T175 HydrophobicContact CG2-CG2 4.46Å; T171-T175 PolarHBondContact O-N 3.36Å; T171-L178 HydrophobicContact CG2-CD2 3.93Å; T171-L186 HydrophobicContact CG2-CD2 4.11Å; T171-F201 HydrophobicContact CG2-CZ 4.29Å |
| 172 | F | 98.4 | Very high | 97.9 | Very high | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.018 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64 | -35.6 | 177.4 | -175.2 | -99.8 | 0 | 0 | 0 | 112.9 | L168 E169 Q174 T175 K176 W200 F201 R204 R205 W208 | L168-F172 WeakPolarHBondContact O-CB 3.26Å; L168-F172 PolarHBondContact O-N 3Å; E169-F172 WeakPolarHBondContact O-CA 3.32Å; E169-F172 WeakPolarHBondContact O-CB 3.44Å; E169-F172 PolarHBondContact O-N 3.49Å; F172-Q174 VanDerWaalsContact C-N 3.32Å; F172-T175 CarbonylContact C-O 3.38Å; F172-T175 WeakPolarHBondContact CA-O 3.5Å; F172-T175 CarbonylContact O-C 3.36Å; F172-K176 HydrophobicContact CD1-CD 3.96Å; F172-K176 HydrophobicContact CD2-CD 4.29Å; F172-K176 HydrophobicContact CE1-CD 3.43Å; F172-K176 VanDerWaalsContact CE1-CD 3.43Å; F172-K176 HydrophobicContact CE2-CB 4.22Å; F172-K176 HydrophobicContact CE2-CD 3.81Å; F172-K176 HydrophobicContact CG-CD 4.36Å; F172-K176 HydrophobicContact CZ-CB 4.44Å; F172-K176 HydrophobicContact CZ-CD 3.35Å; F172-K176 HydrophobicContact CZ-CG 4.46Å; F172-K176 WeakPolarHBondContact O-CD 3.35Å; F172-K176 WeakPolarHBondContact O-CE 3.48Å; F172-K176 PolarHBondContact O-NZ 3.16Å; F172-W200 HydrophobicContact CB-CH2 4.47Å; F172-W200 HydrophobicContact CB-CZ3 4.14Å; F172-W200 HydrophobicContact CG-CZ3 4.48Å; F172-F201 HydrophobicContact CB-CE1 4.21Å; F172-F201 HydrophobicContact CB-CZ 4.3Å; F172-F201 AromaticContact CD2-CD1 3.85Å; F172-F201 HydrophobicContact CD2-CD1 3.85Å; F172-F201 AromaticContact CD2-CE1 3.78Å; F172-F201 HydrophobicContact CD2-CE1 3.78Å; F172-F201 HydrophobicContact CE2-CD1 4.49Å; F172-R204 HydrophobicContact CD1-CG 3.62Å; F172-R204 HydrophobicContact CD2-CB 4.21Å; F172-R204 HydrophobicContact CD2-CG 3.64Å; F172-R204 HydrophobicContact CE1-CG 3.58Å; F172-R204 HydrophobicContact CE2-CB 4.05Å; F172-R204 HydrophobicContact CE2-CG 3.61Å; F172-R204 HydrophobicContact CG-CG 3.65Å; F172-R204 HydrophobicContact CZ-CB 4.32Å; F172-R204 HydrophobicContact CZ-CG 3.57Å; F172-R205 HydrophobicContact CE2-CG 3.82Å; F172-R205 HydrophobicContact CZ-CG 4.23Å; F172-W208 HydrophobicContact CE1-CB 4.47Å; F172-W208 HydrophobicContact CE1-CG 4.49Å; F172-W208 HydrophobicContact CZ-CB 4.23Å; F172-W208 HydrophobicContact CZ-CG 4.39Å |
| 173 | E | 97.9 | Very high | 97.9 | Very high | 132 Ų | 132 | 70.6 Ų | 70.6 | 62% | 0.617 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.3 | -43.3 | 173.7 | -73.3 | 173.6 | -179.4 | 0 | 0 | 111.3 | E169 T171 K176 | E169-E173 PolarHBondContact O-N 3.31Å; T171-E173 VanDerWaalsContact C-N 3.32Å; T171-E173 PolarHBondContact O-N 3.44Å; E173-K176 PolarHBondContact O-NZ 3Å |
| 174 | Q | 97.5 | Very high | 97.9 | Very high | 148 Ų | 148 | 64.8 Ų | 64.8 | 69% | 0.692 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -69.3 | -47.3 | 177.6 | -63.5 | 174.4 | -10.9 | 0 | 0 | 112.5 | K170 T171 F172 | K170-Q174 PolarHBondContact O-N 3.01Å; T171-Q174 WeakPolarHBondContact O-CB 3.1Å; T171-Q174 PolarHBondContact O-N 3.5Å; F172-Q174 VanDerWaalsContact C-N 3.32Å |
| 175 | T | 97.3 | Very high | 98 | Very high | 44 Ų | 44 | 70.7 Ų | 70.7 | 27% | 0.27 | 35% | 0.354 | S | S | . | . | trans | -140.8 | 128.8 | 178.6 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | T171 F172 Y177 L178 | T171-T175 HydrophobicContact CG2-CG2 4.46Å; T171-T175 PolarHBondContact O-N 3.36Å; F172-T175 CarbonylContact C-O 3.38Å; F172-T175 WeakPolarHBondContact CA-O 3.5Å; F172-T175 CarbonylContact O-C 3.36Å; T175-Y177 VanDerWaalsContact C-N 3.27Å; T175-Y177 PolarHBondContact O-N 3.11Å; T175-Y177 PolarHBondContact OG1-N 3.43Å; T175-Y177 PolarHBondContact OG1-O 3.45Å; T175-L178 HydrophobicContact CG2-CD2 3.62Å | ||
| 176 | K | 97.4 | Very high | 98 | Very high | 59 Ų | 59 | 68.2 Ų | 68.2 | 26% | 0.257 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -77.8 | -16.6 | 179.7 | -54.4 | -66 | 169.4 | -71.4 | 0 | 112.3 | F172 E173 R205 | F172-K176 HydrophobicContact CD1-CD 3.96Å; F172-K176 HydrophobicContact CD2-CD 4.29Å; F172-K176 HydrophobicContact CE1-CD 3.43Å; F172-K176 VanDerWaalsContact CE1-CD 3.43Å; F172-K176 HydrophobicContact CE2-CB 4.22Å; F172-K176 HydrophobicContact CE2-CD 3.81Å; F172-K176 HydrophobicContact CG-CD 4.36Å; F172-K176 HydrophobicContact CZ-CB 4.44Å; F172-K176 HydrophobicContact CZ-CD 3.35Å; F172-K176 HydrophobicContact CZ-CG 4.46Å; F172-K176 WeakPolarHBondContact O-CD 3.35Å; F172-K176 WeakPolarHBondContact O-CE 3.48Å; F172-K176 PolarHBondContact O-NZ 3.16Å; E173-K176 PolarHBondContact O-NZ 3Å; K176-R205 VanDerWaalsContact O-CD 3.29Å; K176-R205 WeakPolarHBondContact O-CD 3.29Å |
| 177 | Y | 97.9 | Very high | 98 | Very high | 147 Ų | 147 | 61.8 Ų | 61.8 | 58% | 0.576 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -135.4 | 121.4 | -176.4 | -63.6 | -102.5 | 0 | 0 | 0 | 109.7 | T175 R205 | T175-Y177 VanDerWaalsContact C-N 3.27Å; T175-Y177 PolarHBondContact O-N 3.11Å; T175-Y177 PolarHBondContact OG1-N 3.43Å; T175-Y177 PolarHBondContact OG1-O 3.45Å; Y177-R205 VanDerWaalsContact CD1-NH1 3.3Å |
| 178 | L | 97.3 | Very high | 98 | Very high | 21 Ų | 21 | 70.5 Ų | 70.5 | 11% | 0.11 | 34% | 0.344 | C | S | . | . | trans | -91.9 | 131.7 | 177.6 | -70 | 175.1 | 0 | 0 | 0 | 112.2 | T171 T175 E182 R183 L186 V197 F201 | T171-L178 HydrophobicContact CG2-CD2 3.93Å; T175-L178 HydrophobicContact CG2-CD2 3.62Å; L178-E182 HydrophobicContact CD2-CB 4.03Å; L178-R183 HydrophobicContact CB-CB 4.29Å; L178-R183 PolarHBondContact O-NH2 3.5Å; L178-L186 HydrophobicContact CD1-CD2 3.8Å; L178-V197 HydrophobicContact CD1-CG1 3.87Å; L178-F201 HydrophobicContact CD1-CD1 4.11Å; L178-F201 HydrophobicContact CD1-CD2 3.76Å; L178-F201 HydrophobicContact CD1-CE1 3.72Å; L178-F201 HydrophobicContact CD1-CE2 3.34Å; L178-F201 HydrophobicContact CD1-CG 4.14Å; L178-F201 HydrophobicContact CD1-CZ 3.33Å; L178-F201 HydrophobicContact CD2-CE1 4.31Å; L178-F201 HydrophobicContact CD2-CZ 4.26Å; L178-F201 HydrophobicContact CG-CD1 4Å; L178-F201 HydrophobicContact CG-CE1 3.57Å; L178-F201 HydrophobicContact CG-CE2 4.16Å; L178-F201 HydrophobicContact CG-CG 4.47Å; L178-F201 HydrophobicContact CG-CZ 3.68Å | ||
| 179 | A | 97.7 | Very high | 97.9 | Very high | 51 Ų | 51 | 75.1 Ų | 75.1 | 42% | 0.421 | 38% | 0.375 | S | S | . | . | trans | -69.2 | 162.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E182 R183 | A179-E182 HydrophobicContact CB-CG 4.24Å; A179-E182 PolarHBondContact N-OE2 3.3Å; A179-E182 PolarHBondContact O-N 3.2Å; A179-R183 WeakPolarHBondContact O-CB 3.36Å; A179-R183 PolarHBondContact O-N 3.41Å | ||
| 180 | G | 97.8 | Very high | 97.9 | Very high | 33 Ų | 33 | 74.8 Ų | 74.8 | 34% | 0.34 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -52.1 | -55.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E182 R183 A184 | G180-E182 VanDerWaalsContact C-N 3.35Å; G180-E182 PolarHBondContact O-N 2.94Å; G180-R183 WeakPolarHBondContact O-CB 3.47Å; G180-R183 PolarHBondContact O-N 3.22Å; G180-A184 PolarHBondContact O-N 3.17Å |
| 181 | P | 98.1 | Very high | 97.9 | Very high | 97 Ų | 97 | 72.7 Ų | 72.7 | 63% | 0.63 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.6 | -36.7 | -179.3 | -25 | 34.9 | 0 | 0 | 0 | 114.1 | R185 | P181-R185 WeakPolarHBondContact O-CG 3.39Å; P181-R185 PolarHBondContact O-N 2.83Å; P181-R185 VanDerWaalsContact O-N 3.12Å |
| 182 | E | 97.9 | Very high | 97.8 | Very high | 75 Ų | 75 | 72.2 Ų | 72.2 | 35% | 0.35 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.7 | -40.3 | 177.8 | -57.2 | -175.7 | 143 | 0 | 0 | 111.7 | L178 A179 G180 R185 L186 | L178-E182 HydrophobicContact CD2-CB 4.03Å; A179-E182 HydrophobicContact CB-CG 4.24Å; A179-E182 PolarHBondContact N-OE2 3.3Å; A179-E182 PolarHBondContact O-N 3.2Å; G180-E182 VanDerWaalsContact C-N 3.35Å; G180-E182 PolarHBondContact O-N 2.94Å; E182-R185 PolarHBondContact O-N 3.38Å; E182-L186 PolarHBondContact O-N 3.36Å |
| 183 | R | 98.5 | Very high | 97.8 | Very high | 60 Ų | 60 | 75.7 Ų | 75.7 | 23% | 0.226 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62 | -44.7 | 175.4 | -170.9 | -167.8 | -52.3 | 128 | 8.9 | 111.4 | L178 A179 G180 L186 A187 E194 V197 | L178-R183 HydrophobicContact CB-CB 4.29Å; L178-R183 PolarHBondContact O-NH2 3.5Å; A179-R183 WeakPolarHBondContact O-CB 3.36Å; A179-R183 PolarHBondContact O-N 3.41Å; G180-R183 WeakPolarHBondContact O-CB 3.47Å; G180-R183 PolarHBondContact O-N 3.22Å; R183-L186 PolarHBondContact O-N 2.9Å; R183-A187 WeakPolarHBondContact O-CB 3.42Å; R183-A187 PolarHBondContact O-N 2.86Å; R183-E194 WeakPolarHBondContact CD-O 3.4Å; R183-E194 HydrophobicContact CG-CB 4.34Å; R183-E194 HydrophobicContact CG-CG 4.43Å; R183-V197 HydrophobicContact CG-CB 4.13Å; R183-V197 HydrophobicContact CG-CG1 3.93Å |
| 184 | A | 98.4 | Very high | 97.9 | Very high | 36 Ų | 36 | 73.7 Ų | 73.7 | 30% | 0.298 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G180 A187 Y188 E194 | G180-A184 PolarHBondContact O-N 3.17Å; A184-A187 PolarHBondContact O-N 3Å; A184-Y188 WeakPolarHBondContact O-CB 3.18Å; A184-Y188 PolarHBondContact O-N 2.77Å; A184-E194 HydrophobicContact CB-CG 4.41Å |
| 185 | R | 98.3 | Very high | 97.9 | Very high | 165 Ų | 165 | 70.4 Ų | 70.4 | 62% | 0.623 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -59.9 | -48.6 | 175.8 | -73.8 | -172.7 | -68.6 | 144.3 | -5.1 | 112.4 | P181 E182 A187 Y188 S189 | P181-R185 WeakPolarHBondContact O-CG 3.39Å; P181-R185 PolarHBondContact O-N 2.83Å; P181-R185 VanDerWaalsContact O-N 3.12Å; E182-R185 PolarHBondContact O-N 3.38Å; R185-A187 PolarHBondContact O-N 3.3Å; R185-Y188 PolarHBondContact O-N 2.79Å; R185-S189 PolarHBondContact O-N 3.45Å; R185-S189 PolarHBondContact O-OG 3.34Å |
| 186 | L | 98.1 | Very high | 97.9 | Very high | 22 Ų | 22 | 72 Ų | 72 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.1 | -40.3 | -179.1 | -173.7 | 62.5 | 0 | 0 | 0 | 112.3 | L168 T171 L178 E182 R183 S189 L190 V197 F201 | L168-L186 HydrophobicContact CD2-CD2 3.93Å; T171-L186 HydrophobicContact CG2-CD2 4.11Å; L178-L186 HydrophobicContact CD1-CD2 3.8Å; E182-L186 PolarHBondContact O-N 3.36Å; R183-L186 PolarHBondContact O-N 2.9Å; L186-S189 PolarHBondContact O-N 3.19Å; L186-L190 HydrophobicContact CD1-CD1 3.85Å; L186-L190 HydrophobicContact CD1-CG 4.26Å; L186-L190 HydrophobicContact CG-CD1 3.99Å; L186-L190 WeakPolarHBondContact O-CB 3.38Å; L186-L190 WeakPolarHBondContact O-CG 3.49Å; L186-L190 PolarHBondContact O-N 2.81Å; L186-L190 VanDerWaalsContact O-N 3.1Å; L186-V197 HydrophobicContact CD2-CG1 4.01Å; L186-F201 HydrophobicContact CD2-CE2 3.98Å; L186-F201 HydrophobicContact CD2-CZ 4.35Å |
| 187 | A | 98.4 | Very high | 97.9 | Very high | 4 Ų | 4 | 69.2 Ų | 69.2 | 3% | 0.033 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.4 | -48 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R183 A184 R185 L190 G191 M192 E194 V197 | R183-A187 WeakPolarHBondContact O-CB 3.42Å; R183-A187 PolarHBondContact O-N 2.86Å; A184-A187 PolarHBondContact O-N 3Å; R185-A187 PolarHBondContact O-N 3.3Å; A187-L190 PolarHBondContact O-N 3.01Å; A187-G191 PolarHBondContact O-N 3.48Å; A187-G191 VanDerWaalsContact O-N 3.09Å; A187-M192 CarbonylContact C-O 3.59Å; A187-M192 WeakPolarHBondContact CB-O 3.48Å; A187-M192 PolarHBondContact O-N 3.22Å; A187-M192 VanDerWaalsContact O-O 3.08Å; A187-E194 HydrophobicContact CB-CG 4.02Å; A187-V197 HydrophobicContact CB-CG2 3.91Å |
| 188 | Y | 98.3 | Very high | 97.9 | Very high | 207 Ų | 207 | 68.2 Ų | 68.2 | 81% | 0.812 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60.1 | -49.8 | 176.7 | -176.3 | -97.7 | 0 | 0 | 0 | 112.1 | A184 R185 L190 G191 | A184-Y188 WeakPolarHBondContact O-CB 3.18Å; A184-Y188 PolarHBondContact O-N 2.77Å; R185-Y188 PolarHBondContact O-N 2.79Å; Y188-L190 PolarHBondContact O-N 2.92Å; Y188-G191 PolarHBondContact O-N 2.92Å |
| 189 | S | 97.6 | Very high | 98 | Very high | 96 Ų | 96 | 70.8 Ų | 70.8 | 67% | 0.671 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.9 | -28.6 | -179.7 | -61.4 | 0 | 0 | 0 | 0 | 114 | R185 L186 | R185-S189 PolarHBondContact O-N 3.45Å; R185-S189 PolarHBondContact O-OG 3.34Å; L186-S189 PolarHBondContact O-N 3.19Å |
| 190 | L | 97.3 | Very high | 98 | Very high | 27 Ų | 27 | 69.9 Ų | 69.9 | 14% | 0.141 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -97.6 | -2.9 | -178.5 | -66.9 | 177.7 | 0 | 0 | 0 | 114.3 | Q164 A167 L168 L186 A187 Y188 M192 | Q164-L190 HydrophobicContact CG-CB 4.49Å; Q164-L190 HydrophobicContact CG-CD2 4.42Å; Q164-L190 PolarHBondContact NE2-O 3.29Å; A167-L190 HydrophobicContact CB-CD1 4.27Å; A167-L190 HydrophobicContact CB-CD2 3.67Å; A167-L190 HydrophobicContact CB-CG 4.47Å; L168-L190 HydrophobicContact CD1-CD1 4.48Å; L168-L190 HydrophobicContact CD2-CD1 3.93Å; L168-L190 HydrophobicContact CG-CD1 3.77Å; L186-L190 HydrophobicContact CD1-CD1 3.85Å; L186-L190 HydrophobicContact CD1-CG 4.26Å; L186-L190 HydrophobicContact CG-CD1 3.99Å; L186-L190 WeakPolarHBondContact O-CB 3.38Å; L186-L190 WeakPolarHBondContact O-CG 3.49Å; L186-L190 PolarHBondContact O-N 2.81Å; L186-L190 VanDerWaalsContact O-N 3.1Å; A187-L190 PolarHBondContact O-N 3.01Å; Y188-L190 PolarHBondContact O-N 2.92Å; L190-M192 VanDerWaalsContact C-N 3.26Å; L190-M192 HydrophobicContact CB-CB 4.47Å; L190-M192 HydrophobicContact CB-CG 3.94Å; L190-M192 HydrophobicContact CB-SD 3.97Å; L190-M192 HydrophobicContact CD1-SD 4.15Å; L190-M192 PolarHBondContact O-N 3.46Å |
| 191 | G | 97.5 | Very high | 98 | Very high | 71 Ų | 71 | 68.6 Ų | 68.6 | 73% | 0.732 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 32.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A187 Y188 | A187-G191 PolarHBondContact O-N 3.48Å; A187-G191 VanDerWaalsContact O-N 3.09Å; Y188-G191 PolarHBondContact O-N 2.92Å |
| 192 | M | 97.5 | Very high | 98 | Very high | 17 Ų | 17 | 68 Ų | 68 | 8% | 0.084 | 35% | 0.354 | C | S | . | . | trans | -113 | 160.7 | -179.7 | -62 | 178.3 | 67.2 | 0 | 0 | 110.1 | F160 Q164 L168 A187 L190 Q196 V197 | F160-M192 HydrophobicContact CD1-CE 3.51Å; F160-M192 HydrophobicContact CD1-SD 4.44Å; F160-M192 HydrophobicContact CD2-CE 4.33Å; F160-M192 HydrophobicContact CE1-CE 3.28Å; F160-M192 HydrophobicContact CE2-CE 4.15Å; F160-M192 HydrophobicContact CG-CE 4.05Å; F160-M192 HydrophobicContact CZ-CE 3.63Å; Q164-M192 HydrophobicContact CB-SD 4.2Å; Q164-M192 HydrophobicContact CG-SD 4.29Å; L168-M192 HydrophobicContact CD1-CE 4.28Å; L168-M192 HydrophobicContact CD1-SD 4.15Å; A187-M192 CarbonylContact C-O 3.59Å; A187-M192 WeakPolarHBondContact CB-O 3.48Å; A187-M192 PolarHBondContact O-N 3.22Å; A187-M192 VanDerWaalsContact O-O 3.08Å; L190-M192 VanDerWaalsContact C-N 3.26Å; L190-M192 HydrophobicContact CB-CB 4.47Å; L190-M192 HydrophobicContact CB-CG 3.94Å; L190-M192 HydrophobicContact CB-SD 3.97Å; L190-M192 HydrophobicContact CD1-SD 4.15Å; L190-M192 PolarHBondContact O-N 3.46Å; M192-Q196 HydrophobicContact CE-CB 3.88Å; M192-V197 HydrophobicContact CB-CG2 4.22Å | ||
| 193 | T | 98.2 | Very high | 98 | Very high | 77 Ų | 77 | 69 Ų | 69 | 47% | 0.472 | 36% | 0.362 | S | S | . | . | trans | -79.6 | 149.6 | 169.8 | 63 | 0 | 0 | 0 | 0 | 110.8 | S195 Q196 V197 | T193-S195 PolarHBondContact O-N 2.86Å; T193-S195 VanDerWaalsContact O-N 3.14Å; T193-Q196 WeakPolarHBondContact O-CB 3.38Å; T193-Q196 PolarHBondContact O-N 2.9Å; T193-Q196 VanDerWaalsContact OG1-CD 3.3Å; T193-Q196 VanDerWaalsContact OG1-CG 3.23Å; T193-Q196 WeakPolarHBondContact OG1-CG 3.43Å; T193-Q196 PolarHBondContact OG1-N 3.25Å; T193-Q196 PolarHBondContact OG1-OE1 3.4Å; T193-V197 PolarHBondContact O-N 2.97Å; T193-V197 VanDerWaalsContact O-N 3.11Å | ||
| 194 | E | 98.2 | Very high | 98 | Very high | 91 Ų | 91 | 69.4 Ų | 69.4 | 43% | 0.425 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -53.9 | -35.3 | 173.5 | -73.9 | -171.2 | -117.6 | 0 | 0 | 112.6 | R183 A184 A187 V197 K198 | R183-E194 WeakPolarHBondContact CD-O 3.4Å; R183-E194 HydrophobicContact CG-CB 4.34Å; R183-E194 HydrophobicContact CG-CG 4.43Å; A184-E194 HydrophobicContact CB-CG 4.41Å; A187-E194 HydrophobicContact CB-CG 4.02Å; E194-V197 PolarHBondContact O-N 3.44Å; E194-K198 WeakPolarHBondContact O-CB 3.38Å; E194-K198 PolarHBondContact O-N 2.94Å |
| 195 | S | 98.1 | Very high | 98 | Very high | 78 Ų | 78 | 69.8 Ų | 69.8 | 55% | 0.545 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 176.5 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | T193 V197 K198 V199 | T193-S195 PolarHBondContact O-N 2.86Å; T193-S195 VanDerWaalsContact O-N 3.14Å; S195-V197 PolarHBondContact O-N 2.63Å; S195-K198 WeakPolarHBondContact O-CB 3.42Å; S195-K198 PolarHBondContact O-N 3.13Å; S195-V199 VanDerWaalsContact O-CG2 3.32Å; S195-V199 WeakPolarHBondContact O-CG2 3.46Å; S195-V199 PolarHBondContact O-N 2.93Å |
| 196 | Q | 97.8 | Very high | 97.9 | Very high | 78 Ų | 78 | 64.1 Ų | 64.1 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 175.9 | -73.8 | 164 | -48.3 | 0 | 0 | 111.6 | F160 M192 T193 V199 W200 | F160-Q196 HydrophobicContact CZ-CB 4.38Å; M192-Q196 HydrophobicContact CE-CB 3.88Å; T193-Q196 WeakPolarHBondContact O-CB 3.38Å; T193-Q196 PolarHBondContact O-N 2.9Å; T193-Q196 VanDerWaalsContact OG1-CD 3.3Å; T193-Q196 VanDerWaalsContact OG1-CG 3.23Å; T193-Q196 WeakPolarHBondContact OG1-CG 3.43Å; T193-Q196 PolarHBondContact OG1-N 3.25Å; T193-Q196 PolarHBondContact OG1-OE1 3.4Å; Q196-V199 PolarHBondContact O-N 3.21Å; Q196-W200 WeakPolarHBondContact O-CB 3.36Å; Q196-W200 PolarHBondContact O-N 3.27Å |
| 197 | V | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 175.2 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | L168 L178 R183 L186 A187 M192 T193 E194 S195 V199 W200 F201 | L168-V197 HydrophobicContact CD2-CG1 4.2Å; L168-V197 HydrophobicContact CD2-CG2 4.49Å; L178-V197 HydrophobicContact CD1-CG1 3.87Å; R183-V197 HydrophobicContact CG-CB 4.13Å; R183-V197 HydrophobicContact CG-CG1 3.93Å; L186-V197 HydrophobicContact CD2-CG1 4.01Å; A187-V197 HydrophobicContact CB-CG2 3.91Å; M192-V197 HydrophobicContact CB-CG2 4.22Å; T193-V197 PolarHBondContact O-N 2.97Å; T193-V197 VanDerWaalsContact O-N 3.11Å; E194-V197 PolarHBondContact O-N 3.44Å; S195-V197 PolarHBondContact O-N 2.63Å; V197-V199 PolarHBondContact O-N 3.09Å; V197-W200 PolarHBondContact O-N 3.31Å; V197-F201 HydrophobicContact CG1-CD2 3.91Å; V197-F201 HydrophobicContact CG1-CE2 4.07Å; V197-F201 WeakPolarHBondContact O-CD2 3.47Å; V197-F201 PolarHBondContact O-N 2.9Å |
| 198 | K | 98 | Very high | 97.7 | Very high | 127 Ų | 127 | 75 Ų | 75 | 55% | 0.552 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -58.1 | -48.9 | 176.4 | -179.1 | -178.2 | 178.6 | -178.4 | 0 | 111.9 | E194 S195 W200 F201 Q202 | E194-K198 WeakPolarHBondContact O-CB 3.38Å; E194-K198 PolarHBondContact O-N 2.94Å; S195-K198 WeakPolarHBondContact O-CB 3.42Å; S195-K198 PolarHBondContact O-N 3.13Å; K198-W200 VanDerWaalsContact C-N 3.35Å; K198-F201 PolarHBondContact O-N 2.89Å; K198-Q202 WeakPolarHBondContact O-CB 3.37Å; K198-Q202 PolarHBondContact O-N 3.46Å |
| 199 | V | 98.1 | Very high | 97.5 | Very high | 75 Ų | 75 | 71.4 Ų | 71.4 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.7 | -42 | 178.9 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | S195 Q196 V197 Q202 N203 | S195-V199 VanDerWaalsContact O-CG2 3.32Å; S195-V199 WeakPolarHBondContact O-CG2 3.46Å; S195-V199 PolarHBondContact O-N 2.93Å; Q196-V199 PolarHBondContact O-N 3.21Å; V197-V199 PolarHBondContact O-N 3.09Å; V199-Q202 PolarHBondContact O-N 3.31Å; V199-N203 WeakPolarHBondContact O-CB 3.34Å; V199-N203 PolarHBondContact O-N 3.07Å; V199-N203 PolarHBondContact O-ND2 3.07Å |
| 200 | W | 98 | Very high | 97.3 | Very high | 31 Ų | 31 | 74.1 Ų | 74.1 | 12% | 0.117 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.5 | -49.2 | 176.8 | -169.1 | 100.7 | 0 | 0 | 0 | 111.5 | F160 L168 E169 F172 Q196 V197 K198 Q202 N203 R204 | F160-W200 AromaticContact CD2-CD1 3.73Å; F160-W200 AromaticContact CE2-CD1 3.67Å; L168-W200 HydrophobicContact CB-CD2 3.96Å; L168-W200 HydrophobicContact CB-CE3 3.9Å; L168-W200 HydrophobicContact CB-CH2 3.66Å; L168-W200 HydrophobicContact CB-CZ2 3.68Å; L168-W200 HydrophobicContact CB-CZ3 3.76Å; L168-W200 HydrophobicContact CD1-CD2 3.84Å; L168-W200 HydrophobicContact CD1-CE3 4.49Å; L168-W200 HydrophobicContact CD1-CG 3.83Å; L168-W200 HydrophobicContact CD1-CZ2 4.48Å; L168-W200 HydrophobicContact CD2-CD2 4.32Å; L168-W200 HydrophobicContact CD2-CE3 4.23Å; L168-W200 HydrophobicContact CG-CD2 4.27Å; L168-W200 HydrophobicContact CG-CE3 4.44Å; E169-W200 HydrophobicContact CB-CH2 4.45Å; F172-W200 HydrophobicContact CB-CH2 4.47Å; F172-W200 HydrophobicContact CB-CZ3 4.14Å; F172-W200 HydrophobicContact CG-CZ3 4.48Å; Q196-W200 WeakPolarHBondContact O-CB 3.36Å; Q196-W200 PolarHBondContact O-N 3.27Å; V197-W200 PolarHBondContact O-N 3.31Å; K198-W200 VanDerWaalsContact C-N 3.35Å; W200-Q202 VanDerWaalsContact C-N 3.3Å; W200-Q202 PolarHBondContact O-N 3.34Å; W200-N203 PolarHBondContact O-N 3.48Å; W200-R204 HydrophobicContact CE3-CB 4Å; W200-R204 HydrophobicContact CE3-CG 4.49Å; W200-R204 HydrophobicContact CH2-CB 4.16Å; W200-R204 HydrophobicContact CH2-CG 3.83Å; W200-R204 HydrophobicContact CZ3-CB 3.74Å; W200-R204 HydrophobicContact CZ3-CG 3.74Å; W200-R204 WeakPolarHBondContact O-CB 3.4Å; W200-R204 PolarHBondContact O-N 3.29Å |
| 201 | F | 98.5 | Very high | 96.9 | Very high | 7 Ų | 7 | 81.1 Ų | 81.1 | 3% | 0.031 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.1 | -34.8 | 177.4 | -92.2 | -104.2 | 0 | 0 | 0 | 112.7 | L168 T171 F172 L178 L186 V197 K198 R205 | L168-F201 HydrophobicContact CD2-CD2 4.47Å; L168-F201 HydrophobicContact CD2-CE2 3.96Å; T171-F201 HydrophobicContact CG2-CZ 4.29Å; F172-F201 HydrophobicContact CB-CE1 4.21Å; F172-F201 HydrophobicContact CB-CZ 4.3Å; F172-F201 AromaticContact CD2-CD1 3.85Å; F172-F201 HydrophobicContact CD2-CD1 3.85Å; F172-F201 AromaticContact CD2-CE1 3.78Å; F172-F201 HydrophobicContact CD2-CE1 3.78Å; F172-F201 HydrophobicContact CE2-CD1 4.49Å; L178-F201 HydrophobicContact CD1-CD1 4.11Å; L178-F201 HydrophobicContact CD1-CD2 3.76Å; L178-F201 HydrophobicContact CD1-CE1 3.72Å; L178-F201 HydrophobicContact CD1-CE2 3.34Å; L178-F201 HydrophobicContact CD1-CG 4.14Å; L178-F201 HydrophobicContact CD1-CZ 3.33Å; L178-F201 HydrophobicContact CD2-CE1 4.31Å; L178-F201 HydrophobicContact CD2-CZ 4.26Å; L178-F201 HydrophobicContact CG-CD1 4Å; L178-F201 HydrophobicContact CG-CE1 3.57Å; L178-F201 HydrophobicContact CG-CE2 4.16Å; L178-F201 HydrophobicContact CG-CG 4.47Å; L178-F201 HydrophobicContact CG-CZ 3.68Å; L186-F201 HydrophobicContact CD2-CE2 3.98Å; L186-F201 HydrophobicContact CD2-CZ 4.35Å; V197-F201 HydrophobicContact CG1-CD2 3.91Å; V197-F201 HydrophobicContact CG1-CE2 4.07Å; V197-F201 WeakPolarHBondContact O-CD2 3.47Å; V197-F201 PolarHBondContact O-N 2.9Å; K198-F201 PolarHBondContact O-N 2.89Å; F201-R205 WeakPolarHBondContact O-CB 3.38Å; F201-R205 WeakPolarHBondContact O-CG 3.45Å; F201-R205 PolarHBondContact O-N 3.38Å; F201-R205 PolarHBondContact O-NE 3Å |
| 202 | Q | 98.2 | Very high | 96.2 | Very high | 83 Ų | 83 | 81.2 Ų | 81.2 | 39% | 0.388 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.9 | -46.9 | 173.9 | -172.7 | 60.8 | 59.9 | 0 | 0 | 111.5 | K198 V199 W200 R204 R205 T206 | K198-Q202 WeakPolarHBondContact O-CB 3.37Å; K198-Q202 PolarHBondContact O-N 3.46Å; V199-Q202 PolarHBondContact O-N 3.31Å; W200-Q202 VanDerWaalsContact C-N 3.3Å; W200-Q202 PolarHBondContact O-N 3.34Å; Q202-R204 VanDerWaalsContact C-N 3.34Å; Q202-R204 PolarHBondContact O-N 2.97Å; Q202-R205 PolarHBondContact O-N 2.76Å; Q202-T206 PolarHBondContact O-N 3.48Å; Q202-T206 VanDerWaalsContact O-N 3.11Å; Q202-T206 PolarHBondContact O-OG1 3.49Å |
| 203 | N | 97.8 | Very high | 95.5 | Very high | 96 Ų | 96 | 83.5 Ų | 83.5 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 177.5 | -72.1 | -21.9 | 0 | 0 | 0 | 111.6 | V199 W200 T206 K207 | V199-N203 WeakPolarHBondContact O-CB 3.34Å; V199-N203 PolarHBondContact O-N 3.07Å; V199-N203 PolarHBondContact O-ND2 3.07Å; W200-N203 PolarHBondContact O-N 3.48Å; N203-T206 PolarHBondContact O-N 2.98Å; N203-K207 PolarHBondContact O-N 3.27Å; N203-K207 VanDerWaalsContact O-N 3.09Å |
| 204 | R | 97.8 | Very high | 94.6 | Very high | 69 Ų | 69 | 82.6 Ų | 82.6 | 26% | 0.26 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 177.5 | -171.1 | 68.4 | -169.8 | 165.7 | 4.1 | 111.6 | E169 F172 W200 Q202 T206 K207 W208 | E169-R204 VanDerWaalsContact CD-NE 3.31Å; E169-R204 IonicContact OE1-CZ 2.63Å; E169-R204 IonicContact OE1-NE 2.94Å; E169-R204 PolarHBondContact OE1-NE 3.16Å; E169-R204 IonicContact OE1-NH1 3.29Å; E169-R204 IonicContact OE1-NH2 3.98Å; E169-R204 PolarHBondContact OE1-NH2 3.43Å; E169-R204 IonicContact OE2-CZ 3.25Å; E169-R204 IonicContact OE2-NE 3.85Å; E169-R204 PolarHBondContact OE2-NE 2.87Å; E169-R204 IonicContact OE2-NH1 2.95Å; E169-R204 PolarHBondContact OE2-NH1 3.14Å; E169-R204 IonicContact OE2-NH2 3.27Å; E169-R204 PolarHBondContact OE2-NH2 3.37Å; F172-R204 HydrophobicContact CD1-CG 3.62Å; F172-R204 HydrophobicContact CD2-CB 4.21Å; F172-R204 HydrophobicContact CD2-CG 3.64Å; F172-R204 HydrophobicContact CE1-CG 3.58Å; F172-R204 HydrophobicContact CE2-CB 4.05Å; F172-R204 HydrophobicContact CE2-CG 3.61Å; F172-R204 HydrophobicContact CG-CG 3.65Å; F172-R204 HydrophobicContact CZ-CB 4.32Å; F172-R204 HydrophobicContact CZ-CG 3.57Å; W200-R204 HydrophobicContact CE3-CB 4Å; W200-R204 HydrophobicContact CE3-CG 4.49Å; W200-R204 HydrophobicContact CH2-CB 4.16Å; W200-R204 HydrophobicContact CH2-CG 3.83Å; W200-R204 HydrophobicContact CZ3-CB 3.74Å; W200-R204 HydrophobicContact CZ3-CG 3.74Å; W200-R204 WeakPolarHBondContact O-CB 3.4Å; W200-R204 PolarHBondContact O-N 3.29Å; Q202-R204 VanDerWaalsContact C-N 3.34Å; Q202-R204 PolarHBondContact O-N 2.97Å; R204-T206 VanDerWaalsContact C-N 3.32Å; R204-T206 PolarHBondContact O-N 3.34Å; R204-K207 PolarHBondContact O-N 3.41Å; R204-W208 WeakPolarHBondContact O-CB 3.49Å; R204-W208 PolarHBondContact O-N 3.18Å |
| 205 | R | 97.8 | Very high | 93.6 | Very high | 45 Ų | 45 | 83.4 Ų | 83.4 | 17% | 0.17 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.8 | -38.8 | 174.7 | -76.9 | -177.6 | -74.2 | 150.7 | 1.1 | 113.1 | F172 K176 Y177 F201 Q202 W208 R209 | F172-R205 HydrophobicContact CE2-CG 3.82Å; F172-R205 HydrophobicContact CZ-CG 4.23Å; K176-R205 VanDerWaalsContact O-CD 3.29Å; K176-R205 WeakPolarHBondContact O-CD 3.29Å; Y177-R205 VanDerWaalsContact CD1-NH1 3.3Å; F201-R205 WeakPolarHBondContact O-CB 3.38Å; F201-R205 WeakPolarHBondContact O-CG 3.45Å; F201-R205 PolarHBondContact O-N 3.38Å; F201-R205 PolarHBondContact O-NE 3Å; Q202-R205 PolarHBondContact O-N 2.76Å; R205-W208 PolarHBondContact O-N 3.31Å; R205-R209 PolarHBondContact O-N 3.3Å |
| 206 | T | 97.4 | Very high | 92.3 | Very high | 46 Ų | 46 | 86.5 Ų | 86.5 | 28% | 0.282 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 176.1 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | Q202 N203 R204 K210 | Q202-T206 PolarHBondContact O-N 3.48Å; Q202-T206 VanDerWaalsContact O-N 3.11Å; Q202-T206 PolarHBondContact O-OG1 3.49Å; N203-T206 PolarHBondContact O-N 2.98Å; R204-T206 VanDerWaalsContact C-N 3.32Å; R204-T206 PolarHBondContact O-N 3.34Å; T206-K210 WeakPolarHBondContact O-CG 3.4Å; T206-K210 PolarHBondContact O-N 3.13Å |
| 207 | K | 95.8 | Very high | 91.1 | Very high | 143 Ų | 143 | 86.1 Ų | 86.1 | 62% | 0.622 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.2 | -42.1 | 175.4 | -73.7 | -174.5 | 177.8 | -176.6 | 0 | 112 | N203 R204 K210 R211 | N203-K207 PolarHBondContact O-N 3.27Å; N203-K207 VanDerWaalsContact O-N 3.09Å; R204-K207 PolarHBondContact O-N 3.41Å; K207-K210 PolarHBondContact O-N 3.08Å; K207-R211 PolarHBondContact O-N 3.48Å; K207-R211 VanDerWaalsContact O-N 3.08Å |
| 208 | W | 95.2 | Very high | 89.6 | Confident | 111 Ų | 111 | 89.5 Ų | 89.5 | 42% | 0.42 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.3 | -53.1 | 177 | 179.6 | 84.9 | 0 | 0 | 0 | 111.2 | F172 R204 R205 K210 R211 H212 | F172-W208 HydrophobicContact CE1-CB 4.47Å; F172-W208 HydrophobicContact CE1-CG 4.49Å; F172-W208 HydrophobicContact CZ-CB 4.23Å; F172-W208 HydrophobicContact CZ-CG 4.39Å; R204-W208 WeakPolarHBondContact O-CB 3.49Å; R204-W208 PolarHBondContact O-N 3.18Å; R205-W208 PolarHBondContact O-N 3.31Å; W208-K210 VanDerWaalsContact C-N 3.3Å; W208-K210 PolarHBondContact O-N 3.5Å; W208-R211 PolarHBondContact O-N 3.15Å; W208-R211 VanDerWaalsContact O-N 3.15Å; W208-H212 AromaticContact CD1-CD2 3.94Å; W208-H212 AromaticContact CD1-NE2 3.6Å; W208-H212 AromaticContact CD2-CD2 3.53Å; W208-H212 AromaticContact CD2-NE2 3.75Å; W208-H212 AromaticContact CE2-CD2 3.33Å; W208-H212 AromaticContact CE2-NE2 3.07Å; W208-H212 AromaticContact CG-CD2 3.92Å; W208-H212 AromaticContact CZ2-CD2 3.64Å; W208-H212 AromaticContact CZ2-NE2 3.38Å; W208-H212 WeakPolarHBondContact CZ2-NE2 3.42Å; W208-H212 AromaticContact NE1-CD2 3.63Å; W208-H212 AromaticContact NE1-NE2 3Å; W208-H212 PolarHBondContact NE1-NE2 3.12Å; W208-H212 PolarHBondContact O-CD2 3.04Å; W208-H212 PolarHBondContact O-N 3.41Å |
| 209 | R | 94.9 | Very high | 87.7 | Confident | 132 Ų | 132 | 86.2 Ų | 86.2 | 50% | 0.498 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.2 | -38.8 | 177.1 | -72.6 | -173.7 | -66.3 | 113.3 | -0.1 | 113.1 | R205 R211 H212 A213 | R205-R209 PolarHBondContact O-N 3.3Å; R209-R211 PolarHBondContact O-N 3.08Å; R209-H212 PolarHBondContact O-N 3.47Å; R209-A213 WeakPolarHBondContact O-CB 3.45Å; R209-A213 PolarHBondContact O-N 3.41Å |
| 210 | K | 93.6 | Very high | 85.7 | Confident | 152 Ų | 152 | 90.7 Ų | 90.7 | 66% | 0.661 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.7 | -39.8 | 177.5 | -80.8 | -173.6 | 175 | -171 | 0 | 112.5 | T206 K207 W208 A214 | T206-K210 WeakPolarHBondContact O-CG 3.4Å; T206-K210 PolarHBondContact O-N 3.13Å; K207-K210 PolarHBondContact O-N 3.08Å; W208-K210 VanDerWaalsContact C-N 3.3Å; W208-K210 PolarHBondContact O-N 3.5Å; K210-A214 WeakPolarHBondContact O-CB 3.38Å; K210-A214 PolarHBondContact O-N 3.31Å; K210-A214 VanDerWaalsContact O-N 3.08Å |
| 211 | R | 88.4 | Confident | 83.6 | Confident | 174 Ų | 174 | 97.4 Ų | 97.4 | 66% | 0.657 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.2 | -48.8 | 175 | -81 | -165.9 | -176.6 | 166.3 | -1.6 | 111.6 | K207 W208 R209 A213 A214 E215 | K207-R211 PolarHBondContact O-N 3.48Å; K207-R211 VanDerWaalsContact O-N 3.08Å; W208-R211 PolarHBondContact O-N 3.15Å; W208-R211 VanDerWaalsContact O-N 3.15Å; R209-R211 PolarHBondContact O-N 3.08Å; R211-A213 VanDerWaalsContact C-N 3.32Å; R211-A213 PolarHBondContact O-N 2.98Å; R211-A214 PolarHBondContact O-N 3.32Å; R211-A214 VanDerWaalsContact O-N 3.11Å; R211-E215 WeakPolarHBondContact O-CG 3.47Å; R211-E215 PolarHBondContact O-N 2.95Å |
| 212 | H | 83.3 | Confident | 81.4 | Confident | 73 Ų | 73 | 104.6 Ų | 104.6 | 34% | 0.338 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.7 | -41.4 | 178.3 | -74.8 | -69.3 | 0 | 0 | 0 | 113 | W208 R209 E215 M216 | W208-H212 AromaticContact CD1-CD2 3.94Å; W208-H212 AromaticContact CD1-NE2 3.6Å; W208-H212 AromaticContact CD2-CD2 3.53Å; W208-H212 AromaticContact CD2-NE2 3.75Å; W208-H212 AromaticContact CE2-CD2 3.33Å; W208-H212 AromaticContact CE2-NE2 3.07Å; W208-H212 AromaticContact CG-CD2 3.92Å; W208-H212 AromaticContact CZ2-CD2 3.64Å; W208-H212 AromaticContact CZ2-NE2 3.38Å; W208-H212 WeakPolarHBondContact CZ2-NE2 3.42Å; W208-H212 AromaticContact NE1-CD2 3.63Å; W208-H212 AromaticContact NE1-NE2 3Å; W208-H212 PolarHBondContact NE1-NE2 3.12Å; W208-H212 PolarHBondContact O-CD2 3.04Å; W208-H212 PolarHBondContact O-N 3.41Å; R209-H212 PolarHBondContact O-N 3.47Å; H212-E215 PolarHBondContact O-N 3.34Å; H212-M216 WeakPolarHBondContact O-CG 3.37Å; H212-M216 PolarHBondContact O-N 3.18Å |
| 213 | A | 82.4 | Confident | 79 | Confident | 65 Ų | 65 | 106.8 Ų | 106.8 | 54% | 0.537 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.2 | -37.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R209 R211 A217 | R209-A213 WeakPolarHBondContact O-CB 3.45Å; R209-A213 PolarHBondContact O-N 3.41Å; R211-A213 VanDerWaalsContact C-N 3.32Å; R211-A213 PolarHBondContact O-N 2.98Å; A213-A217 PolarHBondContact O-N 3.03Å |
| 214 | A | 80.1 | Confident | 76.6 | Confident | 59 Ų | 59 | 107.4 Ų | 107.4 | 49% | 0.488 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.1 | -36.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K210 R211 A217 S218 | K210-A214 WeakPolarHBondContact O-CB 3.38Å; K210-A214 PolarHBondContact O-N 3.31Å; K210-A214 VanDerWaalsContact O-N 3.08Å; R211-A214 PolarHBondContact O-N 3.32Å; R211-A214 VanDerWaalsContact O-N 3.11Å; A214-A217 PolarHBondContact O-N 3.35Å; A214-S218 PolarHBondContact O-N 3.11Å; A214-S218 PolarHBondContact O-OG 3.39Å |
| 215 | E | 76.4 | Confident | 74.2 | Confident | 108 Ų | 108 | 107.5 Ų | 107.5 | 51% | 0.505 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 175.9 | -73.5 | 170.1 | -168.9 | 0 | 0 | 111.9 | R211 H212 A217 S218 A219 | R211-E215 WeakPolarHBondContact O-CG 3.47Å; R211-E215 PolarHBondContact O-N 2.95Å; H212-E215 PolarHBondContact O-N 3.34Å; E215-A217 VanDerWaalsContact C-N 3.34Å; E215-A217 PolarHBondContact O-N 3.24Å; E215-S218 PolarHBondContact O-N 3.49Å; E215-S218 PolarHBondContact O-OG 3.09Å; E215-S218 VanDerWaalsContact O-OG 3.12Å; E215-A219 WeakPolarHBondContact O-CB 3.43Å; E215-A219 PolarHBondContact O-N 2.95Å |
| 216 | M | 71.4 | Confident | 71.7 | Confident | 142 Ų | 142 | 111.1 Ų | 111.1 | 70% | 0.7 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.6 | -32.4 | 175.8 | -65.4 | -64.8 | 153.9 | 0 | 0 | 112.7 | H212 | H212-M216 WeakPolarHBondContact O-CG 3.37Å; H212-M216 PolarHBondContact O-N 3.18Å |
| 217 | A | 72.5 | Confident | 69.3 | Low | 71 Ų | 71 | 111.7 Ų | 111.7 | 59% | 0.587 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -75 | -34.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A213 A214 E215 | A213-A217 PolarHBondContact O-N 3.03Å; A214-A217 PolarHBondContact O-N 3.35Å; E215-A217 VanDerWaalsContact C-N 3.34Å; E215-A217 PolarHBondContact O-N 3.24Å |
| 218 | S | 66.7 | Low | 67.1 | Low | 70 Ų | 70 | 110.4 Ų | 110.4 | 49% | 0.49 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -78.3 | -28.7 | 178.3 | 66.7 | 0 | 0 | 0 | 0 | 112.9 | A214 E215 K220 K221 | A214-S218 PolarHBondContact O-N 3.11Å; A214-S218 PolarHBondContact O-OG 3.39Å; E215-S218 PolarHBondContact O-N 3.49Å; E215-S218 PolarHBondContact O-OG 3.09Å; E215-S218 VanDerWaalsContact O-OG 3.12Å; S218-K220 VanDerWaalsContact C-N 3.32Å; S218-K220 PolarHBondContact O-N 3.22Å; S218-K221 PolarHBondContact O-N 3.18Å |
| 219 | A | 57.6 | Low | 64.7 | Low | 58 Ų | 58 | 112.8 Ų | 112.8 | 48% | 0.479 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.8 | -35.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E215 K221 K222 H223 | E215-A219 WeakPolarHBondContact O-CB 3.43Å; E215-A219 PolarHBondContact O-N 2.95Å; A219-K221 VanDerWaalsContact C-N 3.26Å; A219-K221 PolarHBondContact O-N 3.43Å; A219-K222 PolarHBondContact O-N 3.48Å; A219-H223 PolarHBondContact O-N 3.38Å |
| 220 | K | 55.9 | Low | 62.4 | Low | 169 Ų | 169 | 113.3 Ų | 113.3 | 74% | 0.735 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.2 | -24.4 | 176.1 | -164.7 | 164.3 | 180 | 176 | 0 | 113.3 | S218 K222 D224 | S218-K220 VanDerWaalsContact C-N 3.32Å; S218-K220 PolarHBondContact O-N 3.22Å; K220-K222 VanDerWaalsContact C-N 3.32Å; K220-D224 PolarHBondContact O-N 3.27Å |
| 221 | K | 54 | Low | 60 | Low | 172 Ų | 172 | 113.9 Ų | 113.9 | 75% | 0.748 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -79.8 | -13.5 | 176.5 | -140.4 | -178.7 | -176 | -174.2 | 0 | 113.6 | S218 A219 S225 | S218-K221 PolarHBondContact O-N 3.18Å; A219-K221 VanDerWaalsContact C-N 3.26Å; A219-K221 PolarHBondContact O-N 3.43Å; K221-S225 PolarHBondContact O-OG 2.83Å |
| 222 | K | 51.5 | Low | 57.7 | Low | 159 Ų | 159 | 113.4 Ų | 113.4 | 69% | 0.691 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -91 | -35.6 | 174 | -71.6 | -162.5 | 175.4 | -168.4 | 0 | 112.8 | A219 K220 S225 E226 | A219-K222 PolarHBondContact O-N 3.48Å; K220-K222 VanDerWaalsContact C-N 3.32Å; K222-S225 WeakPolarHBondContact CA-OG 3.31Å; K222-S225 PolarHBondContact O-N 3.42Å; K222-S225 PolarHBondContact O-OG 2.91Å; K222-E226 PolarHBondContact O-N 3.32Å; K222-E226 VanDerWaalsContact O-N 3.11Å |
| 223 | H | 48.4 | Very low | 55.7 | Low | 128 Ų | 128 | 114.7 Ų | 114.7 | 59% | 0.593 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.7 | -35.9 | 174.9 | -168.6 | -81.5 | 0 | 0 | 0 | 111.7 | A219 S225 E226 T227 | A219-H223 PolarHBondContact O-N 3.38Å; H223-S225 VanDerWaalsContact C-N 3.32Å; H223-S225 PolarHBondContact O-N 2.88Å; H223-E226 PolarHBondContact O-N 3.21Å; H223-T227 WeakPolarHBondContact CE1-CG2 3.2Å; H223-T227 PolarHBondContact O-N 3.45Å; H223-T227 PolarHBondContact O-OG1 3.24Å |
| 224 | D | 46.4 | Very low | 54 | Low | 110 Ų | 110 | 116 Ų | 116 | 59% | 0.588 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.4 | -33.8 | 176.5 | -137.9 | 24.9 | 0 | 0 | 0 | 112.2 | K220 T227 E228 | K220-D224 PolarHBondContact O-N 3.27Å; D224-T227 WeakPolarHBondContact CA-OG1 3.39Å; D224-T227 PolarHBondContact O-OG1 3.21Å; D224-E228 WeakPolarHBondContact O-CB 3.34Å; D224-E228 WeakPolarHBondContact O-CG 3.48Å; D224-E228 PolarHBondContact O-N 3.22Å |
| 225 | S | 48.8 | Very low | 52.4 | Low | 71 Ų | 71 | 120 Ų | 120 | 50% | 0.497 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -78.5 | -18.3 | 174.3 | 53.3 | 0 | 0 | 0 | 0 | 114.2 | K221 K222 H223 K229 | K221-S225 PolarHBondContact O-OG 2.83Å; K222-S225 WeakPolarHBondContact CA-OG 3.31Å; K222-S225 PolarHBondContact O-N 3.42Å; K222-S225 PolarHBondContact O-OG 2.91Å; H223-S225 VanDerWaalsContact C-N 3.32Å; H223-S225 PolarHBondContact O-N 2.88Å; S225-K229 WeakPolarHBondContact O-CB 3.38Å; S225-K229 PolarHBondContact O-N 3.11Å |
| 226 | E | 45.4 | Very low | 50.8 | Low | 121 Ų | 121 | 122.6 Ų | 122.6 | 57% | 0.565 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -92.9 | -29.3 | 175.8 | -159.7 | 165.4 | -170.7 | 0 | 0 | 111.3 | K222 H223 K229 M230 | K222-E226 PolarHBondContact O-N 3.32Å; K222-E226 VanDerWaalsContact O-N 3.11Å; H223-E226 PolarHBondContact O-N 3.21Å; E226-K229 PolarHBondContact O-N 2.92Å; E226-M230 WeakPolarHBondContact O-CB 3.49Å; E226-M230 PolarHBondContact O-N 3.47Å |
| 227 | T | 47 | Very low | 49.6 | Very low | 57 Ų | 57 | 125.1 Ų | 125.1 | 35% | 0.35 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -74.9 | -28.6 | 168.2 | 49.7 | 0 | 0 | 0 | 0 | 113.5 | H223 D224 K231 | H223-T227 WeakPolarHBondContact CE1-CG2 3.2Å; H223-T227 PolarHBondContact O-N 3.45Å; H223-T227 PolarHBondContact O-OG1 3.24Å; D224-T227 WeakPolarHBondContact CA-OG1 3.39Å; D224-T227 PolarHBondContact O-OG1 3.21Å; T227-K231 WeakPolarHBondContact O-CB 3.17Å; T227-K231 PolarHBondContact O-N 3.07Å |
| 228 | E | 48.2 | Very low | 48.6 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 54% | 0.542 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -76.9 | -33.2 | 167.8 | -74.4 | -72.7 | 143.5 | 0 | 0 | 111.4 | D224 K231 E232 | D224-E228 WeakPolarHBondContact O-CB 3.34Å; D224-E228 WeakPolarHBondContact O-CG 3.48Å; D224-E228 PolarHBondContact O-N 3.22Å; E228-K231 PolarHBondContact O-N 2.85Å; E228-E232 WeakPolarHBondContact O-CB 3.33Å; E228-E232 PolarHBondContact O-N 3.28Å |
| 229 | K | 45.8 | Very low | 47.9 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 70% | 0.704 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -77.1 | -22.8 | 177.1 | -160.1 | 178.9 | -176.4 | -163.4 | 0 | 114.3 | S225 E226 S233 | S225-K229 WeakPolarHBondContact O-CB 3.38Å; S225-K229 PolarHBondContact O-N 3.11Å; E226-K229 PolarHBondContact O-N 2.92Å; K229-S233 VanDerWaalsContact O-CB 3.3Å; K229-S233 WeakPolarHBondContact O-CB 3.3Å |
| 230 | M | 45.7 | Very low | 47.7 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 70% | 0.7 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -9.8 | 167.6 | -72 | -161.1 | -177.8 | 0 | 0 | 113.7 | E226 | E226-M230 WeakPolarHBondContact O-CB 3.49Å; E226-M230 PolarHBondContact O-N 3.47Å |
| 231 | K | 43.5 | Very low | 47.5 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 71% | 0.713 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -21 | 174.1 | -152.2 | 173.9 | -174 | -174.5 | 0 | 113.4 | T227 E228 | T227-K231 WeakPolarHBondContact O-CB 3.17Å; T227-K231 PolarHBondContact O-N 3.07Å; E228-K231 PolarHBondContact O-N 2.85Å |
| 232 | E | 41.2 | Very low | 47.3 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 77% | 0.766 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 0.8 | 168.9 | -166.2 | 156.6 | -166.8 | 0 | 0 | 113.1 | E228 | E228-E232 WeakPolarHBondContact O-CB 3.33Å; E228-E232 PolarHBondContact O-N 3.28Å |
| 233 | S | 40.6 | Very low | 47.7 | Very low | 101 Ų | 101 | 139.6 Ų | 139.6 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 10.5 | 175.6 | -179.1 | 0 | 0 | 0 | 0 | 113.8 | K229 | K229-S233 VanDerWaalsContact O-CB 3.3Å; K229-S233 WeakPolarHBondContact O-CB 3.3Å |
| 234 | S | 47 | Very low | 48.7 | Very low | 93 Ų | 93 | 141.5 Ų | 141.5 | 65% | 0.65 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -143.2 | 19 | -173.7 | -167.4 | 0 | 0 | 0 | 0 | 116 | ||
| 235 | D | 45.7 | Very low | 49.5 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -161.8 | 37.5 | 176.2 | -132.3 | 1.1 | 0 | 0 | 0 | 117.3 | ||
| 236 | N | 43.2 | Very low | 50 | Low | 163 Ų | 163 | 146.4 Ų | 146.4 | 87% | 0.872 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -154.5 | 38.1 | 174.7 | -84.4 | -51.3 | 0 | 0 | 0 | 115.5 | ||
| 237 | E | 47.3 | Very low | 50.9 | Low | 194 Ų | 194 | 146 Ų | 146 | 91% | 0.907 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -145.2 | 40.4 | 169.5 | -68.7 | -168.8 | -176 | 0 | 0 | 113.3 | ||
| 238 | E | 51.3 | Low | 51.7 | Low | 178 Ų | 178 | 148.9 Ų | 148.9 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -118.6 | -2.7 | 176.5 | -130.5 | 175.6 | -164.1 | 0 | 0 | 115.4 | ||
| 239 | D | 51 | Low | 52.2 | Low | 147 Ų | 147 | 148.1 Ų | 148.1 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -104.1 | -12.9 | -176 | -74 | -20.1 | 0 | 0 | 0 | 115.2 | ||
| 240 | D | 54.1 | Low | 53.1 | Low | 150 Ų | 150 | 144 Ų | 144 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -94.2 | -10.7 | -178.5 | -75.5 | -35.4 | 0 | 0 | 0 | 114.2 | ||
| 241 | E | 51.4 | Low | 54 | Low | 162 Ų | 162 | 142.4 Ų | 142.4 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -77.4 | -22.1 | -178.2 | -171.6 | 146.9 | -161 | 0 | 0 | 112.9 | N243 | E241-N243 PolarHBondContact O-N 3.5Š|
| 242 | Y | 50.7 | Low | 55.3 | Low | 221 Ų | 221 | 138.5 Ų | 138.5 | 87% | 0.867 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -82.1 | -11.2 | -176.9 | -112.9 | -88.5 | 0 | 0 | 0 | 115.3 | ||
| 243 | N | 59.5 | Low | 56.5 | Low | 146 Ų | 146 | 135.8 Ų | 135.8 | 78% | 0.781 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -102.7 | 4.1 | 178.6 | -87.9 | -57.6 | 0 | 0 | 0 | 114.1 | E241 P245 | E241-N243 PolarHBondContact O-N 3.5Å; N243-P245 WeakPolarHBondContact O-CD 3.42Å |
| 244 | K | 68.5 | Low | 57.9 | Low | 167 Ų | 167 | 137.6 Ų | 137.6 | 73% | 0.726 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -74.1 | 124.9 | 174.5 | -160.4 | -178.9 | -175.2 | -160.7 | 0 | 108.9 | L246 | K244-L246 PolarHBondContact O-N 2.98Š|
| 245 | P | 63.7 | Low | 59.1 | Low | 116 Ų | 116 | 136.9 Ų | 136.9 | 75% | 0.753 | 70% | 0.699 | S | S | * | * | trans | -47.2 | 121.5 | 171.8 | -30.4 | 35.7 | 0 | 0 | 0 | 110.1 | N243 D247 | N243-P245 WeakPolarHBondContact O-CD 3.42Å; P245-D247 PolarHBondContact O-N 3.07Å | ||
| 246 | L | 58.7 | Low | 60.4 | Low | 168 Ų | 168 | 134.5 Ų | 134.5 | 88% | 0.88 | 69% | 0.689 | S | S | * | * | trans | -55.5 | 111.7 | 179 | -67.5 | 170.2 | 0 | 0 | 0 | 107.9 | K244 P248 | K244-L246 PolarHBondContact O-N 2.98Å; L246-P248 WeakPolarHBondContact O-CD 3.43Å | ||
| 247 | D | 64 | Low | 61.9 | Low | 112 Ų | 112 | 134.9 Ų | 134.9 | 60% | 0.599 | 68% | 0.678 | S | S | * | * | trans | -67.7 | 112.1 | 173.1 | -175.6 | -9.5 | 0 | 0 | 0 | 107.4 | P245 N249 S250 | P245-D247 PolarHBondContact O-N 3.07Å; D247-N249 PolarHBondContact O-N 3.48Å; D247-N249 PolarHBondContact OD1-N 2.62Å; D247-S250 WeakPolarHBondContact O-CB 3.35Å; D247-S250 PolarHBondContact O-N 3.48Å; D247-S250 VanDerWaalsContact O-N 3.12Å | ||
| 248 | P | 64.5 | Low | 63.3 | Low | 118 Ų | 118 | 130.4 Ų | 130.4 | 77% | 0.766 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -17 | -174 | -20.4 | 31.8 | 0 | 0 | 0 | 113.4 | L246 | L246-P248 WeakPolarHBondContact O-CD 3.43Š|
| 249 | N | 58.4 | Low | 64.4 | Low | 101 Ų | 101 | 127.1 Ų | 127.1 | 54% | 0.54 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.6 | -2.5 | -174.6 | -145.7 | 7.7 | 0 | 0 | 0 | 113.3 | D247 D252 | D247-N249 PolarHBondContact O-N 3.48Å; D247-N249 PolarHBondContact OD1-N 2.62Å; N249-D252 PolarHBondContact OD1-OD2 2.94Å |
| 250 | S | 65.2 | Low | 65.4 | Low | 74 Ų | 74 | 128 Ų | 128 | 52% | 0.517 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -72.1 | -33.9 | -176.8 | -169.3 | 0 | 0 | 0 | 0 | 113.1 | D247 | D247-S250 WeakPolarHBondContact O-CB 3.35Å; D247-S250 PolarHBondContact O-N 3.48Å; D247-S250 VanDerWaalsContact O-N 3.12Å |
| 251 | D | 65.5 | Low | 66.5 | Low | 109 Ų | 109 | 127.7 Ų | 127.7 | 58% | 0.583 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -74 | -32.8 | 179.6 | -125.6 | -59.7 | 0 | 0 | 0 | 111.7 | E253 K254 I255 | D251-E253 VanDerWaalsContact C-N 3.3Å; D251-E253 PolarHBondContact O-N 3.43Å; D251-K254 PolarHBondContact O-N 2.96Å; D251-K254 VanDerWaalsContact O-N 3.1Å; D251-I255 VanDerWaalsContact O-CG1 3.27Å; D251-I255 WeakPolarHBondContact O-CG1 3.36Å; D251-I255 PolarHBondContact O-N 3.32Å |
| 252 | D | 69.1 | Low | 67.3 | Low | 82 Ų | 82 | 125.8 Ų | 125.8 | 44% | 0.439 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.1 | -32.6 | -179.6 | -67.5 | -35.6 | 0 | 0 | 0 | 112.7 | N249 T256 | N249-D252 PolarHBondContact OD1-OD2 2.94Å; D252-T256 WeakPolarHBondContact O-CB 3.28Å; D252-T256 WeakPolarHBondContact O-CG2 3.22Å; D252-T256 PolarHBondContact O-N 3.47Å; D252-T256 PolarHBondContact O-OG1 3.4Å |
| 253 | E | 67.3 | Low | 68.1 | Low | 108 Ų | 108 | 122.3 Ų | 122.3 | 51% | 0.505 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -70.1 | -36.7 | 174 | -70.4 | -153 | 179.1 | 0 | 0 | 112.9 | D251 T256 R257 | D251-E253 VanDerWaalsContact C-N 3.3Å; D251-E253 PolarHBondContact O-N 3.43Å; E253-T256 VanDerWaalsContact CA-OG1 3.29Å; E253-T256 WeakPolarHBondContact CA-OG1 3.5Å; E253-T256 PolarHBondContact O-OG1 3.25Å; E253-R257 WeakPolarHBondContact O-CB 3.2Å; E253-R257 WeakPolarHBondContact O-CG 3.45Å; E253-R257 PolarHBondContact O-N 3.21Å; E253-R257 IonicContact OE2-NH2 2.86Å; E253-R257 PolarHBondContact OE2-NH2 3.43Å |
| 254 | K | 69 | Low | 68.1 | Low | 138 Ų | 138 | 118.6 Ų | 118.6 | 60% | 0.6 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.7 | -42.4 | 175.8 | -80.2 | 179.7 | 179.4 | 173.2 | 0 | 110.5 | D251 R257 L258 | D251-K254 PolarHBondContact O-N 2.96Å; D251-K254 VanDerWaalsContact O-N 3.1Å; K254-R257 PolarHBondContact O-N 3.21Å; K254-L258 WeakPolarHBondContact O-CB 3.4Å; K254-L258 PolarHBondContact O-N 2.93Å |
| 255 | I | 72.4 | Confident | 67.5 | Low | 79 Ų | 79 | 115 Ų | 115 | 41% | 0.405 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.5 | -48.7 | 176.5 | -66.8 | 165.9 | 0 | 0 | 0 | 110 | D251 R257 L258 L259 | D251-I255 VanDerWaalsContact O-CG1 3.27Å; D251-I255 WeakPolarHBondContact O-CG1 3.36Å; D251-I255 PolarHBondContact O-N 3.32Å; I255-R257 PolarHBondContact O-N 2.86Å; I255-L258 PolarHBondContact O-N 3.36Å; I255-L259 HydrophobicContact CG2-CD1 3.49Å; I255-L259 VanDerWaalsContact CG2-CD1 3.49Å; I255-L259 WeakPolarHBondContact O-CD1 3.03Å; I255-L259 PolarHBondContact O-N 3.01Å |
| 256 | T | 74.5 | Confident | 67.2 | Low | 91 Ų | 91 | 114 Ų | 114 | 56% | 0.558 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.4 | -37.9 | 177.6 | 46.1 | 0 | 0 | 0 | 0 | 113.1 | D252 E253 K260 | D252-T256 WeakPolarHBondContact O-CB 3.28Å; D252-T256 WeakPolarHBondContact O-CG2 3.22Å; D252-T256 PolarHBondContact O-N 3.47Å; D252-T256 PolarHBondContact O-OG1 3.4Å; E253-T256 VanDerWaalsContact CA-OG1 3.29Å; E253-T256 WeakPolarHBondContact CA-OG1 3.5Å; E253-T256 PolarHBondContact O-OG1 3.25Å; T256-K260 WeakPolarHBondContact O-CB 3.21Å; T256-K260 PolarHBondContact O-N 3.02Å |
| 257 | R | 74.9 | Confident | 67 | Low | 171 Ų | 171 | 112.5 Ų | 112.5 | 65% | 0.645 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66 | -40.7 | 173.6 | -75 | 176 | -168 | -178.3 | 10.7 | 112.2 | E253 K254 I255 K260 K261 | E253-R257 WeakPolarHBondContact O-CB 3.2Å; E253-R257 WeakPolarHBondContact O-CG 3.45Å; E253-R257 PolarHBondContact O-N 3.21Å; E253-R257 IonicContact OE2-NH2 2.86Å; E253-R257 PolarHBondContact OE2-NH2 3.43Å; K254-R257 PolarHBondContact O-N 3.21Å; I255-R257 PolarHBondContact O-N 2.86Å; R257-K260 PolarHBondContact O-N 2.87Å; R257-K261 VanDerWaalsContact O-CB 3.28Å; R257-K261 WeakPolarHBondContact O-CB 3.27Å; R257-K261 PolarHBondContact O-N 3.29Å |
| 258 | L | 75.8 | Confident | 66.5 | Low | 100 Ų | 100 | 114.5 Ų | 114.5 | 52% | 0.524 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.1 | -46.2 | 175.8 | -88.4 | 156 | 0 | 0 | 0 | 111.9 | K254 I255 K260 K261 H262 | K254-L258 WeakPolarHBondContact O-CB 3.4Å; K254-L258 PolarHBondContact O-N 2.93Å; I255-L258 PolarHBondContact O-N 3.36Å; L258-K260 VanDerWaalsContact C-N 3.34Å; L258-K260 PolarHBondContact O-N 3.1Å; L258-K261 PolarHBondContact O-N 2.96Å; L258-H262 PolarHBondContact O-CD2 3.46Å; L258-H262 PolarHBondContact O-N 2.94Å |
| 259 | L | 73.9 | Confident | 66 | Low | 109 Ų | 109 | 113 Ų | 113 | 57% | 0.571 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.3 | -42.1 | 175 | -88.2 | 87.5 | 0 | 0 | 0 | 111.3 | I255 H262 K263 | I255-L259 HydrophobicContact CG2-CD1 3.49Å; I255-L259 VanDerWaalsContact CG2-CD1 3.49Å; I255-L259 WeakPolarHBondContact O-CD1 3.03Å; I255-L259 PolarHBondContact O-N 3.01Å; L259-H262 PolarHBondContact O-N 3.48Å; L259-K263 WeakPolarHBondContact O-CB 3.38Å; L259-K263 PolarHBondContact O-N 3.49Å |
| 260 | K | 72.6 | Confident | 65.8 | Low | 166 Ų | 166 | 115.8 Ų | 115.8 | 72% | 0.722 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.2 | -38.5 | 178 | -170.6 | 154.9 | -176.7 | 169.3 | 0 | 112.2 | T256 R257 L258 K263 A264 | T256-K260 WeakPolarHBondContact O-CB 3.21Å; T256-K260 PolarHBondContact O-N 3.02Å; R257-K260 PolarHBondContact O-N 2.87Å; L258-K260 VanDerWaalsContact C-N 3.34Å; L258-K260 PolarHBondContact O-N 3.1Å; K260-K263 PolarHBondContact O-N 2.92Å; K260-A264 WeakPolarHBondContact O-CB 3.42Å; K260-A264 PolarHBondContact O-N 3.3Å |
| 261 | K | 76.3 | Confident | 65.2 | Low | 143 Ų | 143 | 119.9 Ų | 119.9 | 62% | 0.622 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.4 | -49.8 | 173.7 | -177 | 173.6 | 175 | 179.8 | 0 | 110.8 | R257 L258 K263 A264 T265 | R257-K261 VanDerWaalsContact O-CB 3.28Å; R257-K261 WeakPolarHBondContact O-CB 3.27Å; R257-K261 PolarHBondContact O-N 3.29Å; L258-K261 PolarHBondContact O-N 2.96Å; K261-K263 PolarHBondContact O-N 3.12Å; K261-A264 PolarHBondContact O-N 3.04Å; K261-T265 PolarHBondContact O-N 3.32Å; K261-T265 PolarHBondContact O-OG1 3.01Å |
| 262 | H | 69.8 | Low | 64.1 | Low | 122 Ų | 122 | 120.5 Ų | 120.5 | 57% | 0.565 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.5 | -38.2 | 179 | -86.6 | -111 | 0 | 0 | 0 | 112.6 | L258 L259 A264 T265 T266 | L258-H262 PolarHBondContact O-CD2 3.46Å; L258-H262 PolarHBondContact O-N 2.94Å; L259-H262 PolarHBondContact O-N 3.48Å; H262-A264 PolarHBondContact O-N 2.85Å; H262-T265 PolarHBondContact O-N 3.47Å; H262-T266 WeakPolarHBondContact O-CG2 3.29Å; H262-T266 PolarHBondContact O-N 2.85Å; H262-T266 PolarHBondContact O-OG1 3.4Å; H262-T266 VanDerWaalsContact O-OG1 3.04Å |
| 263 | K | 67 | Low | 63.3 | Low | 149 Ų | 149 | 122.4 Ų | 122.4 | 65% | 0.648 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65.2 | -34.6 | 174.8 | -122.8 | 157.1 | 171.9 | 167.5 | 0 | 113.5 | L259 K260 K261 T266 N267 | L259-K263 WeakPolarHBondContact O-CB 3.38Å; L259-K263 PolarHBondContact O-N 3.49Å; K260-K263 PolarHBondContact O-N 2.92Å; K261-K263 PolarHBondContact O-N 3.12Å; K263-T266 PolarHBondContact O-OG1 2.9Å; K263-N267 PolarHBondContact O-N 2.9Å; K263-N267 PolarHBondContact O-ND2 2.79Å |
| 264 | A | 58.3 | Low | 61.7 | Low | 67 Ų | 67 | 123.9 Ų | 123.9 | 55% | 0.554 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -72 | -34.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K260 K261 H262 | K260-A264 WeakPolarHBondContact O-CB 3.42Å; K260-A264 PolarHBondContact O-N 3.3Å; K261-A264 PolarHBondContact O-N 3.04Å; H262-A264 PolarHBondContact O-N 2.85Å |
| 265 | T | 57.6 | Low | 60.5 | Low | 91 Ų | 91 | 122 Ų | 122 | 56% | 0.558 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -75 | -34.5 | -179.3 | -37.6 | 0 | 0 | 0 | 0 | 111.7 | K261 H262 | K261-T265 PolarHBondContact O-N 3.32Å; K261-T265 PolarHBondContact O-OG1 3.01Å; H262-T265 PolarHBondContact O-N 3.47Å |
| 266 | T | 57.2 | Low | 59 | Low | 97 Ų | 97 | 125.3 Ų | 125.3 | 60% | 0.595 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -76.8 | -23.9 | 177.9 | 50.7 | 0 | 0 | 0 | 0 | 114.1 | H262 K263 L268 | H262-T266 WeakPolarHBondContact O-CG2 3.29Å; H262-T266 PolarHBondContact O-N 2.85Å; H262-T266 PolarHBondContact O-OG1 3.4Å; H262-T266 VanDerWaalsContact O-OG1 3.04Å; K263-T266 PolarHBondContact O-OG1 2.9Å; T266-L268 VanDerWaalsContact C-N 3.33Å; T266-L268 PolarHBondContact O-N 3.41Å |
| 267 | N | 53.3 | Low | 57.5 | Low | 135 Ų | 135 | 126.4 Ų | 126.4 | 72% | 0.722 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -12.6 | 176.9 | -86.9 | -76 | 0 | 0 | 0 | 114.3 | K263 | K263-N267 PolarHBondContact O-N 2.9Å; K263-N267 PolarHBondContact O-ND2 2.79Å |
| 268 | L | 55 | Low | 56.2 | Low | 155 Ų | 155 | 122.7 Ų | 122.7 | 81% | 0.812 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -6.5 | -177.9 | -167.1 | 57.6 | 0 | 0 | 0 | 113.9 | T266 L270 | T266-L268 VanDerWaalsContact C-N 3.33Å; T266-L268 PolarHBondContact O-N 3.41Å; L268-L270 PolarHBondContact O-N 3.24Å |
| 269 | A | 52.5 | Low | 54.9 | Low | 86 Ų | 86 | 124.8 Ų | 124.8 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 21.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 270 | L | 54.2 | Low | 53.6 | Low | 159 Ų | 159 | 125.7 Ų | 125.7 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.1 | 20.2 | -176.7 | -106.2 | 173.7 | 0 | 0 | 0 | 116.7 | L268 | L268-L270 PolarHBondContact O-N 3.24Š|
| 271 | I | 54.2 | Low | 52.4 | Low | 160 Ų | 160 | 129.6 Ų | 129.6 | 82% | 0.821 | 75% | 0.753 | S | S | * | * | trans | -136.9 | 89.4 | 167.2 | -52.1 | 175.8 | 0 | 0 | 0 | 109.3 | ||||
| 272 | S | 42 | Very low | 51.2 | Low | 122 Ų | 122 | 129 Ų | 129 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | -104 | 125.3 | 157.7 | -78.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 273 | P | 51.2 | Low | 50.2 | Low | 123 Ų | 123 | 129.3 Ų | 129.3 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | trans | -87.6 | 133.7 | 166.9 | 32.4 | -25.9 | 0 | 0 | 0 | 109.4 | ||||
| 274 | C | 35.2 | Very low | 49.3 | Very low | 138 Ų | 138 | 128.2 Ų | 128.2 | 93% | 0.932 | 78% | 0.777 | S | S | * | * | trans | -133.1 | 116.5 | 164.9 | -148.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 275 | S | 43.7 | Very low | 48.8 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | -104.7 | 131.6 | 173.9 | 46.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 276 | N | 40.9 | Very low | 48.2 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | 95.5 | 126.5 | 142 | -66.3 | 1.3 | 0 | 0 | 0 | 122.7 | ||||
| 277 | S | 42.1 | Very low | 47.6 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | 77.4 | 133.6 | 139.4 | -80.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 278 | S | 48.4 | Very low | 47.2 | Very low | 94 Ų | 94 | 137 Ų | 137 | 66% | 0.657 | 83% | 0.825 | S | S | * | * | cis | -162.2 | 168 | 20.1 | -52.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 279 | D | 48.4 | Very low | 46.6 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 77% | 0.765 | 83% | 0.826 | S | S | * | * | trans | 79.1 | 115.2 | 147.6 | -70.5 | -53 | 0 | 0 | 0 | 121.6 | ||||
| 280 | T | 46.7 | Very low | 46.1 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 79% | 0.791 | 84% | 0.836 | S | S | * | * | 173.1 | 137.7 | 94.1 | 30.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 281 | L | 46.3 | Very low | 45.4 | Very low | 248 Ų | 248 | 138 Ų | 138 | 100% | 1.298 | 84% | 0.836 | S | S | * | * | trans | 63 | 0 | 157 | -77 | 160.8 | 0 | 0 | 0 | 121.2 |
Retrieved 281 of 281 residues in 247.7 ms
(Link to these results)