| 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 | F | 47.9 | Very low | 48.9 | Very low | 256 Ų | 256 | 134.9 Ų | 134.9 | 100% | 1.123 | 84% | 0.841 | S | S | * | * | 0 | 111.1 | 0 | -98 | -96.6 | 0 | 0 | 0 | 108.9 | |||||
| 2 | N | 42 | Very low | 47.4 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 86% | 0.861 | 83% | 0.829 | S | S | * | * | trans | 155 | 107.7 | 147.7 | -84.7 | -9.9 | 0 | 0 | 0 | 108.5 | ||||
| 3 | A | 44.8 | Very low | 46.2 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 129.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 4 | A | 48.4 | Very low | 45.5 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 80% | 0.802 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 133.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 5 | A | 53.7 | Low | 44.8 | Very low | 98 Ų | 98 | 136.8 Ų | 136.8 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 140.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 6 | P | 59.8 | Low | 44.6 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 154.5 | 157 | 34.2 | -28.5 | 0 | 0 | 0 | 111.6 | ||
| 7 | P | 55.5 | Low | 44.2 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 163.5 | -166.2 | 36 | -37.5 | 0 | 0 | 0 | 114.7 | ||
| 8 | T | 51.9 | Low | 43.6 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 149.9 | 161.4 | 46.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 9 | P | 52.7 | Low | 43.4 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -117.6 | 152.5 | 145.4 | 35 | -27.8 | 0 | 0 | 0 | 111.5 | ||||
| 10 | S | 40.1 | Very low | 43.3 | Very low | 101 Ų | 101 | 146.6 Ų | 146.6 | 71% | 0.706 | 82% | 0.824 | S | S | * | * | trans | -117.6 | 172.6 | 176.6 | 57.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 11 | L | 41 | Very low | 43.1 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | 71.9 | 148.2 | 170.5 | -62 | 161.1 | 0 | 0 | 0 | 115.7 | ||||
| 12 | C | 31.7 | Very low | 42.5 | Very low | 102 Ų | 102 | 144.4 Ų | 144.4 | 69% | 0.689 | 81% | 0.81 | S | S | * | * | cis | -164 | 167.2 | -23.4 | -155.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 13 | C | 31.8 | Very low | 42.4 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 72% | 0.716 | 80% | 0.798 | S | S | * | * | trans | 49.7 | 116.9 | 159.9 | -70.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 14 | M | 35.6 | Very low | 42 | Very low | 195 Ų | 195 | 144.2 Ų | 144.2 | 96% | 0.961 | 79% | 0.792 | S | S | * | * | -142.2 | 120.2 | 120.1 | -91.2 | -151.6 | 154 | 0 | 0 | 112.3 | |||||
| 15 | E | 36 | Very low | 41.2 | Very low | 165 Ų | 165 | 149.4 Ų | 149.4 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | trans | -62.4 | 168 | 153.8 | -89.1 | 170.7 | 103.5 | 0 | 0 | 110.6 | ||||
| 16 | E | 40.4 | Very low | 40.4 | Very low | 134 Ų | 134 | 150.7 Ų | 150.7 | 63% | 0.626 | 79% | 0.79 | S | S | * | * | cis | -163.6 | -174.8 | 12.3 | -145.5 | -154.5 | 123.6 | 0 | 0 | 111.1 | ||||
| 17 | K | 37.9 | Very low | 39.4 | Very low | 175 Ų | 175 | 151.4 Ų | 151.4 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | trans | 76.6 | 112 | 154.2 | -73.3 | 174.8 | 178.6 | 78.9 | 0 | 120.2 | ||||
| 18 | G | 33.7 | Very low | 38.5 | Very low | 83 Ų | 83 | 156.5 Ų | 156.5 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -168.7 | 33.1 | 168 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 19 | R | 40 | Very low | 37.5 | Very low | 233 Ų | 233 | 155.2 Ų | 155.2 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -74.8 | 120.4 | -166.9 | -168.1 | -168.7 | -150.3 | -172.9 | 9.1 | 113 | ||||
| 20 | R | 42.2 | Very low | 36.9 | Very low | 254 Ų | 254 | 155.1 Ų | 155.1 | 96% | 0.958 | 79% | 0.789 | S | S | * | * | trans | -139 | 112.5 | 152.2 | -83.4 | -164.1 | -84.1 | 172.6 | -5.8 | 111.3 | ||||
| 21 | K | 39.3 | Very low | 36.6 | Very low | 185 Ų | 185 | 154.7 Ų | 154.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -104.7 | 149.9 | 163.1 | -80.7 | -173.1 | 172.6 | -172 | 0 | 108.3 | ||||
| 22 | M | 34.4 | Very low | 36.7 | Very low | 172 Ų | 172 | 152 Ų | 152 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | trans | -172.1 | 118.6 | 135.3 | -96 | -179.5 | 88.4 | 0 | 0 | 104.3 | ||||
| 23 | T | 39.3 | Very low | 37.2 | Very low | 102 Ų | 102 | 154.7 Ų | 154.7 | 63% | 0.626 | 79% | 0.793 | S | S | * | * | 48.5 | 127.7 | 68.6 | 68.3 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 24 | E | 37 | Very low | 38.2 | Very low | 165 Ų | 165 | 158.1 Ų | 158.1 | 77% | 0.771 | 80% | 0.801 | S | S | * | * | cis | 178.7 | 141 | 7.5 | 159.2 | -172.8 | 153.4 | 0 | 0 | 105 | ||||
| 25 | F | 31.3 | Very low | 38.7 | Very low | 206 Ų | 206 | 158.6 Ų | 158.6 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | trans | -162.8 | 135 | 150.4 | -145.9 | -102 | 0 | 0 | 0 | 112.3 | ||||
| 26 | D | 37.3 | Very low | 39.3 | Very low | 126 Ų | 126 | 158.3 Ų | 158.3 | 67% | 0.674 | 80% | 0.801 | S | S | * | * | trans | -94.6 | 157.9 | -176.3 | -104 | -58.2 | 0 | 0 | 0 | 113.6 | ||||
| 27 | D | 38.4 | Very low | 39.4 | Very low | 131 Ų | 131 | 157.9 Ų | 157.9 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | 25.5 | 113.7 | 140.1 | -141.9 | -35.6 | 0 | 0 | 0 | 119.7 | ||||
| 28 | R | 37.2 | Very low | 39.3 | Very low | 229 Ų | 229 | 154 Ų | 154 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | 175.1 | 134.4 | 110.1 | -94.4 | 172.1 | -179.2 | -164.5 | 0.4 | 116.5 | |||||
| 29 | S | 30.2 | Very low | 39.5 | Very low | 110 Ų | 110 | 156.3 Ų | 156.3 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | 42.9 | 127.7 | 132.7 | -155.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 30 | C | 39.3 | Very low | 39.5 | Very low | 125 Ų | 125 | 150.7 Ų | 150.7 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | -31 | 124.6 | 156.9 | -176 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 31 | A | 34.9 | Very low | 39.6 | Very low | 92 Ų | 92 | 149.3 Ų | 149.3 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -164.5 | 151.9 | 138.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 32 | S | 42.8 | Very low | 39.7 | Very low | 102 Ų | 102 | 150.7 Ų | 150.7 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | -40.5 | 144.6 | 173.6 | -45.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 33 | N | 41.5 | Very low | 39.7 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | -176.8 | 137.3 | 104.2 | -87.1 | -37.4 | 0 | 0 | 0 | 112.1 | |||||
| 34 | M | 54 | Low | 39.6 | Very low | 178 Ų | 178 | 148.7 Ų | 148.7 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -82.6 | 122.1 | 172 | -58.5 | -164.1 | -56.8 | 0 | 0 | 109.9 | ||||
| 35 | F | 46 | Very low | 39.7 | Very low | 204 Ų | 204 | 146.6 Ų | 146.6 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | -158.2 | 123.1 | 153.1 | -96.5 | -71 | 0 | 0 | 0 | 110.1 | ||||
| 36 | L | 48.1 | Very low | 40.8 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -83.7 | 138.5 | 170.2 | -79.7 | 83 | 0 | 0 | 0 | 110 | S38 | L36-S38 PolarHBondContact O-N 2.64Š| ||
| 37 | P | 42.6 | Very low | 40.9 | Very low | 125 Ų | 125 | 143.6 Ų | 143.6 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -82.7 | 116.8 | 176 | 31.1 | -32.1 | 0 | 0 | 0 | 112.7 | ||||
| 38 | S | 35.5 | Very low | 40.8 | Very low | 93 Ų | 93 | 146 Ų | 146 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | trans | 50.2 | 76.7 | 149.4 | -154.1 | 0 | 0 | 0 | 0 | 119 | L36 T40 | L36-S38 PolarHBondContact O-N 2.64Å; S38-T40 PolarHBondContact O-N 3.18Å; S38-T40 VanDerWaalsContact O-N 3.13Å; S38-T40 PolarHBondContact OG-OG1 3.33Å | ||
| 39 | C | 39.1 | Very low | 40.7 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 89% | 0.892 | 80% | 0.796 | S | S | * | * | trans | -73.4 | 93.6 | 155.6 | -70 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 40 | T | 38.9 | Very low | 41.2 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -137.8 | 83.6 | 172.3 | 53 | 0 | 0 | 0 | 0 | 110.9 | S38 | S38-T40 PolarHBondContact O-N 3.18Å; S38-T40 VanDerWaalsContact O-N 3.13Å; S38-T40 PolarHBondContact OG-OG1 3.33Å | ||
| 41 | Y | 43.4 | Very low | 41.3 | Very low | 226 Ų | 226 | 141.2 Ų | 141.2 | 89% | 0.886 | 79% | 0.791 | S | S | * | * | trans | -118.1 | 122.5 | 160.3 | -158.8 | -91.7 | 0 | 0 | 0 | 108.1 | V43 | Y41-V43 PolarHBondContact O-N 3.13Š| ||
| 42 | Y | 42 | Very low | 41.7 | Very low | 213 Ų | 213 | 141.5 Ų | 141.5 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -64.9 | 125.9 | -175.9 | -105.2 | -104.9 | 0 | 0 | 0 | 110.5 | ||||
| 43 | V | 35.3 | Very low | 42 | Very low | 122 Ų | 122 | 142 Ų | 142 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | trans | -83.6 | 118.5 | 164.9 | 173 | 0 | 0 | 0 | 0 | 107.6 | Y41 T45 | Y41-V43 PolarHBondContact O-N 3.13Å; V43-T45 HydrophobicContact CG1-CG2 4.05Å | ||
| 44 | S | 37.1 | Very low | 42 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -105.3 | 124.7 | 164.9 | -65.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 45 | T | 38.1 | Very low | 42 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | -138.9 | 168.1 | 166.2 | 59.1 | 0 | 0 | 0 | 0 | 107.5 | V43 | V43-T45 HydrophobicContact CG1-CG2 4.05Š| ||
| 46 | P | 55.4 | Low | 42.3 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | cis | -121.6 | 164 | -12.1 | 37.6 | -24.6 | 0 | 0 | 0 | 112.8 | ||||
| 47 | D | 39.3 | Very low | 42.1 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -136.8 | 136.5 | 146.9 | -98 | -43.8 | 0 | 0 | 0 | 109.6 | ||||
| 48 | F | 36.3 | Very low | 41.9 | Very low | 183 Ų | 183 | 140.3 Ų | 140.3 | 80% | 0.803 | 79% | 0.785 | S | S | * | * | trans | -79.5 | 149.1 | -179.3 | -78.1 | -112.8 | 0 | 0 | 0 | 110.4 | ||||
| 49 | T | 35.4 | Very low | 42.2 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | 166.4 | 135.5 | 104.9 | 39.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 50 | S | 41.3 | Very low | 42.5 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | trans | 65 | 128.7 | 143.9 | 66.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 51 | V | 41 | Very low | 42.7 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | 61.4 | 148.3 | 152.4 | -58.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 52 | S | 41.9 | Very low | 42.8 | Very low | 97 Ų | 97 | 136.5 Ų | 136.5 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | cis | -144.5 | 142.9 | 8.6 | -159.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 53 | S | 49.5 | Very low | 43 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -94.5 | 96.5 | 176.8 | 51.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 54 | F | 41.5 | Very low | 43.2 | Very low | 187 Ų | 187 | 134.4 Ų | 134.4 | 82% | 0.82 | 77% | 0.772 | S | S | * | * | trans | -139.6 | 102.6 | 167.1 | -87.5 | -81 | 0 | 0 | 0 | 111.6 | P56 | F54-P56 WeakPolarHBondContact O-CD 3.05Š| ||
| 55 | L | 54.9 | Low | 43.7 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | -79 | 126.4 | 155.7 | -84.9 | 100.9 | 0 | 0 | 0 | 109 | ||||
| 56 | P | 51.8 | Low | 44.2 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | -80.1 | 113 | 153.6 | -8.6 | 27.3 | 0 | 0 | 0 | 108.3 | F54 T58 | F54-P56 WeakPolarHBondContact O-CD 3.05Å; P56-T58 PolarHBondContact O-N 3.49Å | ||
| 57 | Q | 44.6 | Very low | 43.4 | Very low | 178 Ų | 178 | 143.7 Ų | 143.7 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -59.5 | 113.6 | 173.5 | -170.9 | 173.3 | 35.8 | 0 | 0 | 109.6 | T59 | Q57-T59 PolarHBondContact O-N 3.29Š| ||
| 58 | T | 36.7 | Very low | 43.7 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | -70.4 | 99.5 | 177.8 | 54.1 | 0 | 0 | 0 | 0 | 109.6 | P56 S60 | P56-T58 PolarHBondContact O-N 3.49Å; T58-S60 PolarHBondContact O-N 3.37Å; T58-S60 VanDerWaalsContact O-N 3.1Å | ||
| 59 | T | 42.7 | Very low | 44.4 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | -63.5 | 109.6 | 176.7 | 49.5 | 0 | 0 | 0 | 0 | 110.2 | Q57 C61 | Q57-T59 PolarHBondContact O-N 3.29Å; T59-C61 PolarHBondContact O-N 2.97Å | ||
| 60 | S | 46.4 | Very low | 45.2 | Very low | 88 Ų | 88 | 139.6 Ų | 139.6 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | trans | -54.9 | 123.3 | 170.6 | 168.1 | 0 | 0 | 0 | 0 | 110.4 | T58 Q62 | T58-S60 PolarHBondContact O-N 3.37Å; T58-S60 VanDerWaalsContact O-N 3.1Å; S60-Q62 PolarHBondContact O-N 3.1Å; S60-Q62 PolarHBondContact OG-NE2 3.47Å | ||
| 61 | C | 41.5 | Very low | 45.6 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -67.6 | 94.2 | 172.7 | -60.8 | 0 | 0 | 0 | 0 | 110.1 | T59 I63 | T59-C61 PolarHBondContact O-N 2.97Å; C61-I63 PolarHBondContact O-N 3.32Å | ||
| 62 | Q | 46.5 | Very low | 45.8 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -74.4 | 109.1 | 171.1 | -65 | -71.7 | -49.1 | 0 | 0 | 109 | S60 N64 | S60-Q62 PolarHBondContact O-N 3.1Å; S60-Q62 PolarHBondContact OG-NE2 3.47Å; Q62-N64 PolarHBondContact O-N 2.7Å | ||
| 63 | I | 46.5 | Very low | 46.3 | Very low | 132 Ų | 132 | 145.2 Ų | 145.2 | 68% | 0.677 | 80% | 0.797 | S | S | * | * | trans | -83.9 | 103.5 | 176 | -54.6 | -179.6 | 0 | 0 | 0 | 108.3 | C61 F65 | C61-I63 PolarHBondContact O-N 3.32Å; I63-F65 HydrophobicContact CB-CE2 4.32Å; I63-F65 HydrophobicContact CG2-CD2 4.01Å; I63-F65 HydrophobicContact CG2-CE2 3.56Å; I63-F65 HydrophobicContact CG2-CZ 4.08Å; I63-F65 PolarHBondContact O-N 3.46Å | ||
| 64 | N | 38.7 | Very low | 46.2 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -71.8 | 110.6 | 175.5 | -105.4 | 11.6 | 0 | 0 | 0 | 110.7 | Q62 | Q62-N64 PolarHBondContact O-N 2.7Š| ||
| 65 | F | 46.8 | Very low | 46 | Very low | 173 Ų | 173 | 144.8 Ų | 144.8 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -99.1 | 125.2 | 163.2 | -74.7 | -83.1 | 0 | 0 | 0 | 109.8 | I63 Y67 | I63-F65 HydrophobicContact CB-CE2 4.32Å; I63-F65 HydrophobicContact CG2-CD2 4.01Å; I63-F65 HydrophobicContact CG2-CE2 3.56Å; I63-F65 HydrophobicContact CG2-CZ 4.08Å; I63-F65 PolarHBondContact O-N 3.46Å; F65-Y67 PolarHBondContact O-N 3.39Å | ||
| 66 | P | 50.1 | Low | 45.8 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -79.2 | 107.9 | 171.3 | 31.1 | -30.5 | 0 | 0 | 0 | 109.3 | ||||
| 67 | Y | 38.7 | Very low | 45.5 | Very low | 227 Ų | 227 | 142.2 Ų | 142.2 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -129.3 | 128.9 | 165.2 | -132.6 | -93.4 | 0 | 0 | 0 | 110.2 | F65 | F65-Y67 PolarHBondContact O-N 3.39Š| ||
| 68 | S | 45.9 | Very low | 46 | Very low | 110 Ų | 110 | 144.6 Ų | 144.6 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -66.9 | 136.3 | -166.7 | -54.6 | 0 | 0 | 0 | 0 | 113.2 | N70 | S68-N70 PolarHBondContact O-N 3.06Š| ||
| 69 | P | 49.6 | Very low | 46.6 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -83.9 | 99.7 | 173.9 | 32.7 | -31.7 | 0 | 0 | 0 | 110.5 | ||||
| 70 | N | 51.8 | Low | 46.8 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -140.8 | 77.9 | 161.6 | -157 | -69 | 0 | 0 | 0 | 111 | S68 | S68-N70 PolarHBondContact O-N 3.06Š| ||
| 71 | I | 49.9 | Very low | 47 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -130.2 | 125.9 | 160.9 | -83.4 | 175 | 0 | 0 | 0 | 106.4 | ||||
| 72 | A | 45.1 | Very low | 47 | Very low | 78 Ų | 78 | 151.2 Ų | 151.2 | 65% | 0.645 | 80% | 0.796 | S | S | * | * | trans | -66.3 | 150 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V74 | A72-V74 PolarHBondContact O-N 3.45Å; A72-V74 VanDerWaalsContact O-N 3.16Å | ||
| 73 | Q | 52.3 | Low | 47.4 | Very low | 203 Ų | 203 | 154.6 Ų | 154.6 | 95% | 0.949 | 80% | 0.802 | S | S | * | * | trans | -61.6 | 115.2 | 171.5 | -68.7 | 170.4 | -48.1 | 0 | 0 | 109.9 | ||||
| 74 | V | 48.4 | Very low | 47.5 | Very low | 133 Ų | 133 | 154.6 Ų | 154.6 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | -108.5 | 130.1 | 168 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | A72 | A72-V74 PolarHBondContact O-N 3.45Å; A72-V74 VanDerWaalsContact O-N 3.16Å | ||
| 75 | Q | 38.2 | Very low | 47.7 | Very low | 158 Ų | 158 | 157.5 Ų | 157.5 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | trans | -61.9 | 145 | -176.8 | -68.5 | -76 | 11.2 | 0 | 0 | 112.1 | V77 | Q75-V77 VanDerWaalsContact C-N 3.32Å; Q75-V77 PolarHBondContact O-N 2.92Å | ||
| 76 | P | 50.4 | Low | 48.1 | Very low | 113 Ų | 113 | 153 Ų | 153 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -73.5 | 85.3 | 171.7 | 30.8 | -33.5 | 0 | 0 | 0 | 110.6 | ||||
| 77 | V | 45.9 | Very low | 48 | Very low | 116 Ų | 116 | 154.9 Ų | 154.9 | 70% | 0.703 | 81% | 0.81 | S | S | * | * | trans | -74.1 | 124.8 | 169.7 | 176.6 | 0 | 0 | 0 | 0 | 109.2 | Q75 | Q75-V77 VanDerWaalsContact C-N 3.32Å; Q75-V77 PolarHBondContact O-N 2.92Å | ||
| 78 | R | 53.2 | Low | 48.3 | Very low | 229 Ų | 229 | 151.9 Ų | 151.9 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -76.9 | 139.8 | 179.4 | -54.9 | 159.4 | -157.8 | 150.3 | 5.7 | 108.4 | ||||
| 79 | E | 50.9 | Low | 48.3 | Very low | 192 Ų | 192 | 154.9 Ų | 154.9 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | trans | 51.3 | 78.7 | 169.6 | -60.3 | -171.2 | 153.5 | 0 | 0 | 116.7 | ||||
| 80 | V | 46.8 | Very low | 48.1 | Very low | 133 Ų | 133 | 153.8 Ų | 153.8 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | -84.5 | 112.1 | 153.1 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | F82 | V80-F82 PolarHBondContact O-N 3.43Š| ||
| 81 | A | 48.9 | Very low | 47.6 | Very low | 79 Ų | 79 | 154.5 Ų | 154.5 | 65% | 0.653 | 80% | 0.799 | S | S | * | * | trans | -62.8 | 130.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R83 | A81-R83 PolarHBondContact O-N 3.05Š| ||
| 82 | F | 42.3 | Very low | 47.1 | Very low | 201 Ų | 201 | 158.3 Ų | 158.3 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -75 | 71.5 | 175.9 | -166.8 | -96.2 | 0 | 0 | 0 | 110.7 | V80 | V80-F82 PolarHBondContact O-N 3.43Š|
| 83 | R | 55.6 | Low | 47.1 | Very low | 231 Ų | 231 | 161.8 Ų | 161.8 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -140 | 38.8 | -177.3 | -79.1 | -66.3 | -175.4 | -143.6 | -4.2 | 112.4 | A81 | A81-R83 PolarHBondContact O-N 3.05Š| ||
| 84 | D | 48.5 | Very low | 46.4 | Very low | 133 Ų | 133 | 162.6 Ų | 162.6 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -146.3 | 168.6 | 161.2 | -138.8 | -31.4 | 0 | 0 | 0 | 111.4 | ||||
| 85 | Y | 43.5 | Very low | 46.1 | Very low | 218 Ų | 218 | 167 Ų | 167 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | 72.6 | 78 | -162.7 | -52.7 | -68.8 | 0 | 0 | 0 | 114 | L87 | Y85-L87 PolarHBondContact O-N 2.76Š| ||
| 86 | G | 53.7 | Low | 45.8 | Very low | 80 Ų | 80 | 162.2 Ų | 162.2 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -62.6 | 116.4 | 156.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 87 | L | 48.4 | Very low | 45.3 | Very low | 165 Ų | 165 | 164.2 Ų | 164.2 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -135.5 | 136.2 | 163.2 | -143.6 | 80.2 | 0 | 0 | 0 | 108.1 | Y85 H89 | Y85-L87 PolarHBondContact O-N 2.76Å; L87-H89 PolarHBondContact O-N 3.37Å | ||
| 88 | D | 45.1 | Very low | 44.9 | Very low | 163 Ų | 163 | 169.5 Ų | 169.5 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | -55.3 | 115.2 | -161 | -66 | -93.3 | 0 | 0 | 0 | 115.5 | ||||
| 89 | H | 46.1 | Very low | 44.2 | Very low | 173 Ų | 173 | 162.7 Ų | 162.7 | 80% | 0.801 | 80% | 0.802 | S | S | * | * | trans | -92.8 | 120.8 | 164.3 | -145.1 | -60.1 | 0 | 0 | 0 | 108.9 | L87 K91 | L87-H89 PolarHBondContact O-N 3.37Å; H89-K91 PolarHBondContact O-N 3.08Å | ||
| 90 | P | 44.6 | Very low | 43.4 | Very low | 109 Ų | 109 | 159.5 Ų | 159.5 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | trans | -70.9 | 84.1 | 175 | 28.1 | -33.5 | 0 | 0 | 0 | 109.6 | W92 | P90-W92 PolarHBondContact O-N 2.9Š| ||
| 91 | K | 42.7 | Very low | 43 | Very low | 168 Ų | 168 | 162.4 Ų | 162.4 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | trans | -65.3 | 122.1 | 176 | -171.2 | 171.3 | -178.2 | 176.2 | 0 | 108.1 | H89 H93 | H89-K91 PolarHBondContact O-N 3.08Å; K91-H93 PolarHBondContact O-N 3.4Å; K91-H93 PolarHBondContact O-ND1 2.86Å | ||
| 92 | W | 38.7 | Very low | 42.5 | Very low | 250 Ų | 250 | 168 Ų | 168 | 95% | 0.947 | 81% | 0.805 | S | S | * | * | trans | -57.4 | 108.4 | 172.9 | -79.6 | 79.1 | 0 | 0 | 0 | 109.2 | P90 Y94 | P90-W92 PolarHBondContact O-N 2.9Å; W92-Y94 PolarHBondContact O-N 3.3Å | ||
| 93 | H | 44.3 | Very low | 42.1 | Very low | 151 Ų | 151 | 164.4 Ų | 164.4 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | -76.2 | 91.7 | 178.6 | -76.5 | 68.4 | 0 | 0 | 0 | 109.2 | K91 R95 | K91-H93 PolarHBondContact O-N 3.4Å; K91-H93 PolarHBondContact O-ND1 2.86Å; H93-R95 VanDerWaalsContact C-N 3.33Å; H93-R95 PolarHBondContact O-N 2.99Å | ||
| 94 | Y | 37.5 | Very low | 41.3 | Very low | 220 Ų | 220 | 156.9 Ų | 156.9 | 86% | 0.863 | 79% | 0.792 | S | S | * | * | trans | -64 | 97.1 | 161.8 | -167 | -92.1 | 0 | 0 | 0 | 107.7 | W92 G96 | W92-Y94 PolarHBondContact O-N 3.3Å; Y94-G96 PolarHBondContact O-N 3.25Å | ||
| 95 | R | 43.1 | Very low | 40.8 | Very low | 226 Ų | 226 | 157.9 Ų | 157.9 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -68.2 | 75.8 | 174.1 | -86 | -81.4 | -150.6 | -95.4 | -0.1 | 109.6 | H93 | H93-R95 VanDerWaalsContact C-N 3.33Å; H93-R95 PolarHBondContact O-N 2.99Å | ||
| 96 | G | 31.8 | Very low | 40.5 | Very low | 56 Ų | 56 | 157.3 Ų | 157.3 | 58% | 0.577 | 80% | 0.802 | S | S | * | * | trans | -77.9 | 134.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y94 | Y94-G96 PolarHBondContact O-N 3.25Š| ||
| 97 | N | 40.3 | Very low | 40.1 | Very low | 155 Ų | 155 | 160.5 Ų | 160.5 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | trans | -100.1 | 106.8 | -171.8 | -171.9 | 84.7 | 0 | 0 | 0 | 109.9 | ||||
| 98 | Y | 36.9 | Very low | 39.9 | Very low | 227 Ų | 227 | 159.9 Ų | 159.9 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | trans | -163.6 | 144.5 | 149.2 | -123.4 | -88.2 | 0 | 0 | 0 | 110.8 | ||||
| 99 | A | 39.1 | Very low | 39.6 | Very low | 86 Ų | 86 | 160.9 Ų | 160.9 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -81.9 | 136.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 100 | S | 33.8 | Very low | 39.2 | Very low | 125 Ų | 125 | 164.3 Ų | 164.3 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -90.7 | 102.1 | 164.2 | -161.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 101 | Y | 37.5 | Very low | 38.6 | Very low | 195 Ų | 195 | 167.3 Ų | 167.3 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | trans | -73.6 | 135.2 | 170.7 | -128.6 | -131.8 | 0 | 0 | 0 | 108.7 | ||||
| 102 | Y | 38.4 | Very low | 38.3 | Very low | 197 Ų | 197 | 166.1 Ų | 166.1 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 50.6 | 114 | 166.6 | -69.4 | -102.9 | 0 | 0 | 0 | 118.9 | ||||
| 103 | S | 35.3 | Very low | 38.3 | Very low | 124 Ų | 124 | 161 Ų | 161 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -113.8 | 128.6 | 131.6 | -167.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 104 | A | 37 | Very low | 37.8 | Very low | 74 Ų | 74 | 161.5 Ų | 161.5 | 61% | 0.612 | 80% | 0.796 | S | S | * | * | trans | -74.4 | 171.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 105 | D | 39.8 | Very low | 37.5 | Very low | 153 Ų | 153 | 156.2 Ų | 156.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 95.7 | 63 | 172.4 | -54.3 | -24.7 | 0 | 0 | 0 | 117.3 | ||||
| 106 | E | 37.2 | Very low | 37.1 | Very low | 207 Ų | 207 | 150.5 Ų | 150.5 | 97% | 0.967 | 79% | 0.786 | S | S | * | * | trans | -140.3 | 127.1 | 131.1 | -126.5 | 174.9 | -169.3 | 0 | 0 | 110 | ||||
| 107 | I | 43.8 | Very low | 37.2 | Very low | 147 Ų | 147 | 154 Ų | 154 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | trans | -118 | 143.5 | -158.9 | -152.2 | 146 | 0 | 0 | 0 | 110.4 | ||||
| 108 | M | 44.2 | Very low | 37.1 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | 66.2 | 105.7 | 171.5 | -46.9 | -62.7 | -104.9 | 0 | 0 | 116.9 | ||||
| 109 | H | 39.5 | Very low | 37.2 | Very low | 184 Ų | 184 | 151 Ų | 151 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | 162.4 | 99.6 | 114.1 | -91.3 | -76.8 | 0 | 0 | 0 | 113.1 | |||||
| 110 | R | 37 | Very low | 36.9 | Very low | 245 Ų | 245 | 151 Ų | 151 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | -175.1 | 125.3 | 124.2 | -103.5 | 179.6 | 75.1 | 168.9 | 3.4 | 111 | |||||
| 111 | E | 32.5 | Very low | 37.1 | Very low | 173 Ų | 173 | 152.8 Ų | 152.8 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | -78.3 | 167.9 | 173.9 | -76.3 | -154.8 | 119.4 | 0 | 0 | 113.7 | ||||
| 112 | L | 35.9 | Very low | 37.2 | Very low | 142 Ų | 142 | 149.5 Ų | 149.5 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | 69.3 | 133 | 165.1 | -109.6 | 64.2 | 0 | 0 | 0 | 114.4 | ||||
| 113 | I | 39.7 | Very low | 37.7 | Very low | 142 Ų | 142 | 148.2 Ų | 148.2 | 73% | 0.728 | 80% | 0.804 | S | S | * | * | cis | -147.4 | 129.3 | 34.1 | -62.4 | 173.3 | 0 | 0 | 0 | 112.4 | ||||
| 114 | Q | 33.3 | Very low | 38 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | trans | 24.2 | 144.1 | 142.7 | -53.5 | 173.7 | -6.8 | 0 | 0 | 124.7 | ||||
| 115 | S | 31.1 | Very low | 38 | Very low | 110 Ų | 110 | 155.8 Ų | 155.8 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | 81.7 | 148.9 | 145.3 | -63 | 0 | 0 | 0 | 0 | 121 | ||||
| 116 | S | 35.1 | Very low | 37.6 | Very low | 105 Ų | 105 | 155.1 Ų | 155.1 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | cis | -169.8 | 164.3 | -27.8 | 64.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 117 | S | 34 | Very low | 37.3 | Very low | 129 Ų | 129 | 152.4 Ų | 152.4 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | 75 | 130.6 | 157.6 | -154.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 118 | G | 38.9 | Very low | 37.3 | Very low | 74 Ų | 74 | 150.8 Ų | 150.8 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | 160.7 | 68.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A120 | G118-A120 PolarHBondContact O-N 3.06Š| ||
| 119 | R | 37.8 | Very low | 36.8 | Very low | 246 Ų | 246 | 149.3 Ų | 149.3 | 93% | 0.928 | 79% | 0.785 | S | S | * | * | trans | -51.7 | 125.3 | 177.7 | -77.6 | 170.3 | 150.2 | 151.1 | -7.6 | 112.2 | ||||
| 120 | A | 32.2 | Very low | 36.6 | Very low | 85 Ų | 85 | 151.1 Ų | 151.1 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | 73.3 | 109.4 | 80.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G118 | G118-A120 PolarHBondContact O-N 3.06Š| |||
| 121 | D | 38.9 | Very low | 36.4 | Very low | 163 Ų | 163 | 142.9 Ų | 142.9 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -153.9 | 139.8 | 133.5 | -109.1 | -34 | 0 | 0 | 0 | 110.1 | ||||
| 122 | V | 39.2 | Very low | 36.6 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -128.1 | 112.4 | -176.9 | -96.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 123 | I | 48.4 | Very low | 36.5 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | -125.8 | 120.4 | 167.6 | -62.9 | -177 | 0 | 0 | 0 | 108.6 | ||||
| 124 | F | 42.8 | Very low | 36 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | -98.5 | 129 | -171.2 | -112.8 | -89.3 | 0 | 0 | 0 | 111.2 | ||||
| 125 | K | 35.8 | Very low | 35.9 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | 165.8 | 112.3 | 120.6 | -89.8 | 160.4 | -176.9 | -179.7 | 0 | 114.7 | |||||
| 126 | N | 31.9 | Very low | 36 | Very low | 139 Ų | 139 | 139 Ų | 139 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | 63.1 | 98.4 | 134 | -55.5 | 0.2 | 0 | 0 | 0 | 121.5 | ||||
| 127 | E | 31 | Very low | 36.1 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | 18 | 146.1 | 116.7 | -87.5 | -75.1 | 103.1 | 0 | 0 | 119.4 | L129 | E127-L129 PolarHBondContact OE1-N 3.18Å; E127-L129 PolarHBondContact OE2-N 3.37Å | |||
| 128 | P | 43.8 | Very low | 36.4 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | -142.2 | 149.1 | 52 | 29.9 | -6.8 | 0 | 0 | 0 | 121.6 | |||||
| 129 | L | 33.8 | Very low | 36.1 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 63% | 0.628 | 78% | 0.784 | S | S | * | * | trans | 75.5 | 118.9 | 138.3 | -90 | 79.6 | 0 | 0 | 0 | 122.8 | E127 | E127-L129 PolarHBondContact OE1-N 3.18Å; E127-L129 PolarHBondContact OE2-N 3.37Å | ||
| 130 | Y | 36 | Very low | 35.8 | Very low | 222 Ų | 222 | 135.9 Ų | 135.9 | 87% | 0.871 | 78% | 0.775 | S | S | * | * | trans | 73.3 | 112.9 | 148.3 | -81 | -99.5 | 0 | 0 | 0 | 122.3 | ||||
| 131 | G | 32.2 | Very low | 36.2 | Very low | 72 Ų | 72 | 139.6 Ų | 139.6 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | 120.6 | 81.7 | 116.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 132 | H | 35.9 | Very low | 36.1 | Very low | 186 Ų | 186 | 140.8 Ų | 140.8 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | -79.4 | 149 | 142.6 | -56.4 | -71.9 | 0 | 0 | 0 | 108.1 | ||||
| 133 | H | 35.4 | Very low | 36.1 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | cis | -168.6 | 176.1 | 37.4 | 51.5 | -67.4 | 0 | 0 | 0 | 107.7 | ||||
| 134 | G | 28.8 | Very low | 35.9 | Very low | 74 Ų | 74 | 141.5 Ų | 141.5 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | cis | 125.4 | 65.2 | 6.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 135 | G | 30.8 | Very low | 36.2 | Very low | 65 Ų | 65 | 136.3 Ų | 136.3 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | trans | 130.2 | 141.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 136 | T | 33.8 | Very low | 36.4 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | trans | 60.5 | 115 | 163.8 | 60.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 137 | S | 37.4 | Very low | 36.8 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | cis | 102.5 | 120.7 | 40.4 | 71.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 138 | A | 40.8 | Very low | 37.8 | Very low | 89 Ų | 89 | 135.2 Ų | 135.2 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | 73.5 | 108.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 139 | Q | 30.9 | Very low | 38.1 | Very low | 182 Ų | 182 | 137 Ų | 137 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | -167.4 | 99 | 128.5 | -101.5 | 157.1 | 87.6 | 0 | 0 | 107.8 | |||||
| 140 | C | 32.6 | Very low | 39.2 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | 53.2 | 113 | 96.6 | 79.7 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 141 | N | 39.4 | Very low | 40.4 | Very low | 162 Ų | 162 | 131.6 Ų | 131.6 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | -51.7 | 130.3 | -178.3 | -54.2 | -14.3 | 0 | 0 | 0 | 113.1 | ||||
| 142 | F | 37 | Very low | 41.7 | Very low | 188 Ų | 188 | 133.2 Ų | 133.2 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -145.7 | 36.8 | 165 | -143.1 | -90.3 | 0 | 0 | 0 | 115 | ||||
| 143 | F | 39.6 | Very low | 43 | Very low | 198 Ų | 198 | 129.1 Ų | 129.1 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | -140.1 | 81.6 | 160.9 | -78.6 | -70.8 | 0 | 0 | 0 | 111.3 | ||||
| 144 | A | 45.3 | Very low | 44 | Very low | 113 Ų | 113 | 129.6 Ų | 129.6 | 93% | 0.934 | 79% | 0.794 | S | S | * | * | trans | -86.8 | 110.9 | 152 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 145 | G | 48.8 | Very low | 45.3 | Very low | 66 Ų | 66 | 129.7 Ų | 129.7 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | trans | 122.4 | 64 | 172 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 146 | V | 39.3 | Very low | 46.2 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -167 | 141.5 | 132.8 | -87.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 147 | G | 41.4 | Very low | 47.3 | Very low | 65 Ų | 65 | 131.3 Ų | 131.3 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | cis | 145.3 | 78.2 | 9.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 148 | R | 50.1 | Low | 48.3 | Very low | 238 Ų | 238 | 135.1 Ų | 135.1 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 69.5 | 165.1 | 178.8 | -57.7 | 172.5 | 171.1 | 175.3 | -5.2 | 114 | ||
| 149 | N | 50.4 | Low | 48.8 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 70.2 | 70.1 | -174.9 | -41.3 | -9.3 | 0 | 0 | 0 | 113.5 | V151 | N149-V151 VanDerWaalsContact C-N 3.34Å; N149-V151 PolarHBondContact O-N 2.65Å | ||
| 150 | G | 57.8 | Low | 49.7 | Very low | 90 Ų | 90 | 139.2 Ų | 139.2 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | trans | -73.7 | 77.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 151 | V | 60.5 | Low | 50.2 | Low | 138 Ų | 138 | 141 Ų | 141 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -116.3 | 99.7 | 163.8 | -177.1 | 0 | 0 | 0 | 0 | 107.9 | N149 | N149-V151 VanDerWaalsContact C-N 3.34Å; N149-V151 PolarHBondContact O-N 2.65Å | ||
| 152 | L | 59.7 | Low | 50.4 | Low | 106 Ų | 106 | 138.5 Ų | 138.5 | 56% | 0.555 | 78% | 0.78 | S | S | * | * | trans | -75.7 | 143.2 | 173 | -141.9 | 61.9 | 0 | 0 | 0 | 108.5 | Q154 F156 | L152-Q154 PolarHBondContact O-N 3.16Å; L152-F156 HydrophobicContact CD2-CB 3.9Å; L152-F156 HydrophobicContact CD2-CD1 3.47Å; L152-F156 VanDerWaalsContact CD2-CD1 3.47Å; L152-F156 HydrophobicContact CD2-CE1 4.3Å; L152-F156 HydrophobicContact CD2-CG 3.94Å; L152-F156 HydrophobicContact CG-CB 4.08Å; L152-F156 HydrophobicContact CG-CD1 4.29Å; L152-F156 HydrophobicContact CG-CG 4.32Å | ||
| 153 | P | 64.1 | Low | 50.7 | Low | 99 Ų | 99 | 135.3 Ų | 135.3 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | trans | -59 | 137 | 175.8 | -24.4 | 34.7 | 0 | 0 | 0 | 111.1 | G155 F156 | P153-G155 PolarHBondContact O-N 3.11Å; P153-F156 PolarHBondContact O-N 3.06Å | ||
| 154 | Q | 55.7 | Low | 50.6 | Low | 196 Ų | 196 | 133.3 Ų | 133.3 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 8 | -168.5 | -161.1 | 165.2 | 2.7 | 0 | 0 | 116 | L152 | L152-Q154 PolarHBondContact O-N 3.16Š|
| 155 | G | 55.7 | Low | 50 | Low | 75 Ų | 75 | 133.8 Ų | 133.8 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | P153 | P153-G155 PolarHBondContact O-N 3.11Š|
| 156 | F | 49.4 | Very low | 49.2 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 52% | 0.522 | 78% | 0.776 | S | S | . | * | S | Bend | trans | -104.1 | -15.6 | -174.9 | -153 | -89.2 | 0 | 0 | 0 | 115 | L152 P153 Q158 F160 | L152-F156 HydrophobicContact CD2-CB 3.9Å; L152-F156 HydrophobicContact CD2-CD1 3.47Å; L152-F156 VanDerWaalsContact CD2-CD1 3.47Å; L152-F156 HydrophobicContact CD2-CE1 4.3Å; L152-F156 HydrophobicContact CD2-CG 3.94Å; L152-F156 HydrophobicContact CG-CB 4.08Å; L152-F156 HydrophobicContact CG-CD1 4.29Å; L152-F156 HydrophobicContact CG-CG 4.32Å; P153-F156 PolarHBondContact O-N 3.06Å; F156-Q158 VanDerWaalsContact C-N 3.27Å; F156-Q158 PolarHBondContact O-N 2.81Å; F156-F160 HydrophobicContact CE1-CE2 4.29Å |
| 157 | D | 56.7 | Low | 49.2 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 63% | 0.631 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -69.2 | -23.4 | -177.2 | -67.3 | -39.3 | 0 | 0 | 0 | 113.5 | F159 | D157-F159 PolarHBondContact O-N 3.25Š|
| 158 | Q | 58.8 | Low | 49.1 | Very low | 189 Ų | 189 | 141.8 Ų | 141.8 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -76.9 | 15.2 | -171.9 | -160.1 | 156.7 | 6.2 | 0 | 0 | 115 | F156 | F156-Q158 VanDerWaalsContact C-N 3.27Å; F156-Q158 PolarHBondContact O-N 2.81Å |
| 159 | F | 52.7 | Low | 48.2 | Very low | 185 Ų | 185 | 139.9 Ų | 139.9 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -110.3 | -6.6 | -177.8 | -117 | -85.6 | 0 | 0 | 0 | 115.5 | D157 | D157-F159 PolarHBondContact O-N 3.25Š|
| 160 | F | 47.9 | Very low | 47.6 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -110.1 | -19.2 | -175.8 | -71.7 | -74.5 | 0 | 0 | 0 | 115.3 | F156 S162 | F156-F160 HydrophobicContact CE1-CE2 4.29Å; F160-S162 PolarHBondContact O-N 3.3Å |
| 161 | D | 43.3 | Very low | 46.4 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | -92 | 83.2 | -177.5 | -108.6 | -49.7 | 0 | 0 | 0 | 113.2 | ||||
| 162 | S | 44 | Very low | 45 | Very low | 109 Ų | 109 | 145.8 Ų | 145.8 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -161.7 | 74.5 | 160.4 | -81.8 | 0 | 0 | 0 | 0 | 113 | F160 N164 | F160-S162 PolarHBondContact O-N 3.3Å; S162-N164 PolarHBondContact O-N 3.42Å | ||
| 163 | P | 42.9 | Very low | 43.8 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | -80.6 | 87.1 | 165.7 | 32.9 | -31.9 | 0 | 0 | 0 | 110.4 | ||||
| 164 | N | 37.2 | Very low | 42.1 | Very low | 157 Ų | 157 | 148.9 Ų | 148.9 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -96.7 | 86.9 | 175.5 | -148.1 | 4.4 | 0 | 0 | 0 | 110.2 | S162 | S162-N164 PolarHBondContact O-N 3.42Š| ||
| 165 | T | 33.9 | Very low | 41 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -147.1 | 85.7 | 173.9 | -45.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 166 | E | 31.8 | Very low | 39.8 | Very low | 184 Ų | 184 | 146.7 Ų | 146.7 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -77.4 | 134.8 | 161.1 | -77.2 | -105.4 | 138.1 | 0 | 0 | 109.9 | ||||
| 167 | H | 38.3 | Very low | 39 | Very low | 154 Ų | 154 | 145.2 Ų | 145.2 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -150.5 | 102 | 179.6 | -154.8 | -30.4 | 0 | 0 | 0 | 111.5 | ||||
| 168 | P | 40.5 | Very low | 38 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | trans | -81.1 | 131 | 166.5 | -11.5 | 28.8 | 0 | 0 | 0 | 110 | ||||
| 169 | K | 30.9 | Very low | 36.6 | Very low | 197 Ų | 197 | 144.5 Ų | 144.5 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | -90.3 | 136.4 | 166.4 | -69.8 | 177.2 | 177.8 | 176.1 | 0 | 109.1 | ||||
| 170 | Q | 37.8 | Very low | 36.1 | Very low | 196 Ų | 196 | 142 Ų | 142 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | -108.7 | 172.7 | 167.2 | -76.3 | -167.3 | -9.2 | 0 | 0 | 112 | ||||
| 171 | K | 33.1 | Very low | 35.7 | Very low | 213 Ų | 213 | 140.8 Ų | 140.8 | 93% | 0.926 | 78% | 0.778 | S | S | * | * | trans | -93.5 | 165 | -145 | -141.8 | 174.5 | -179.4 | -177.3 | 0 | 113.7 | ||||
| 172 | A | 31 | Very low | 35.2 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | trans | -88.6 | 155.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 173 | A | 33.5 | Very low | 34.6 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | trans | 155.1 | 156 | 146.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 174 | E | 29.6 | Very low | 34.4 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | cis | 170.6 | 173.7 | -23.5 | -165.9 | 161.7 | -144.2 | 0 | 0 | 104.8 | ||||
| 175 | T | 32.1 | Very low | 34.2 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | 73.8 | 121.1 | 178 | 70.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 176 | A | 31.3 | Very low | 34.4 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | 74.7 | 141.6 | 52.6 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 177 | A | 31 | Very low | 34.7 | Very low | 89 Ų | 89 | 135.5 Ų | 135.5 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | cis | 172.6 | 127.3 | -16.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 178 | H | 36.5 | Very low | 34.6 | Very low | 174 Ų | 174 | 134 Ų | 134 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | trans | 171.6 | 130.2 | 162.4 | -115.2 | -81.4 | 0 | 0 | 0 | 106.6 | ||||
| 179 | D | 30.3 | Very low | 34.4 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 63% | 0.626 | 76% | 0.762 | S | S | * | * | cis | 77.7 | 100.1 | 31 | -165.2 | 23.6 | 0 | 0 | 0 | 115.5 | ||||
| 180 | H | 41.1 | Very low | 34.7 | Very low | 134 Ų | 134 | 129.8 Ų | 129.8 | 62% | 0.62 | 75% | 0.745 | S | S | * | * | 173.2 | 141.3 | 116.5 | -98.9 | -11 | 0 | 0 | 0 | 115 | |||||
| 181 | H | 38.9 | Very low | 34.7 | Very low | 146 Ų | 146 | 129 Ų | 129 | 68% | 0.676 | 74% | 0.741 | S | S | * | * | trans | 52.1 | 154 | 144.5 | -75.7 | -76.1 | 0 | 0 | 0 | 121.1 | ||||
| 182 | D | 33.1 | Very low | 34.7 | Very low | 135 Ų | 135 | 123.1 Ų | 123.1 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | cis | -154.3 | 178.9 | 8.4 | -125.6 | -29.7 | 0 | 0 | 0 | 113.8 | ||||
| 183 | D | 32.3 | Very low | 34.7 | Very low | 149 Ų | 149 | 125.3 Ų | 125.3 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | trans | -75.3 | 174.3 | -171 | -97.7 | -65.6 | 0 | 0 | 0 | 119.7 | ||||
| 184 | A | 38.8 | Very low | 34.6 | Very low | 95 Ų | 95 | 127.1 Ų | 127.1 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | 73.3 | 151.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 185 | D | 32.4 | Very low | 34.9 | Very low | 152 Ų | 152 | 127.2 Ų | 127.2 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | cis | -165 | 162.5 | -17.4 | 175.5 | 37.5 | 0 | 0 | 0 | 109.9 | ||||
| 186 | A | 37.4 | Very low | 35.1 | Very low | 61 Ų | 61 | 129 Ų | 129 | 50% | 0.504 | 74% | 0.738 | S | S | . | * | trans | 64.5 | 138.1 | 149.4 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 187 | T | 37.9 | Very low | 35.1 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 83% | 0.828 | 74% | 0.735 | S | S | * | * | trans | 78 | 148.1 | 143.7 | 57.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 188 | N | 36.7 | Very low | 35.3 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 66% | 0.658 | 74% | 0.737 | S | S | * | * | cis | -178.9 | 142.6 | -23.3 | -179.1 | -115.3 | 0 | 0 | 0 | 108.9 | ||||
| 189 | I | 37.3 | Very low | 35.1 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | trans | 64.8 | 145.9 | 155.6 | -81.4 | -176.2 | 0 | 0 | 0 | 117 | ||||
| 190 | S | 36.5 | Very low | 35 | Very low | 72 Ų | 72 | 138 Ų | 138 | 50% | 0.503 | 75% | 0.75 | S | S | . | * | cis | -170.9 | 162.2 | -6.2 | -109.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 191 | Q | 38.5 | Very low | 34.7 | Very low | 180 Ų | 180 | 136 Ų | 136 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | trans | 60.8 | 155.3 | 139.5 | -67.9 | 165.1 | 13.3 | 0 | 0 | 119.9 | ||||
| 192 | A | 32.9 | Very low | 34.4 | Very low | 88 Ų | 88 | 137.8 Ų | 137.8 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | cis | -155.6 | 152.9 | -19.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 193 | V | 30.2 | Very low | 35.7 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | trans | -123 | 113.8 | 175.7 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 194 | T | 32.1 | Very low | 36.2 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | trans | -173.2 | 122.4 | 152.6 | 42.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 195 | K | 36.7 | Very low | 35.8 | Very low | 176 Ų | 176 | 133.4 Ų | 133.4 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | trans | -155.8 | 125.2 | 134.3 | -157.1 | 179.4 | 175.8 | -160.2 | 0 | 110.9 | E197 | K195-E197 WeakPolarHBondContact CE-OE2 3.46Å; K195-E197 IonicContact NZ-OE2 2.64Å; K195-E197 PolarHBondContact NZ-OE2 3.22Å | ||
| 196 | L | 35.2 | Very low | 36.1 | Very low | 165 Ų | 165 | 131.6 Ų | 131.6 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | trans | -89.1 | 147.9 | 163.4 | -76.3 | 121.1 | 0 | 0 | 0 | 109.2 | ||||
| 197 | E | 31.9 | Very low | 36.3 | Very low | 158 Ų | 158 | 135 Ų | 135 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | trans | -155.2 | 157.6 | 146.3 | -120.8 | 168.8 | 108.2 | 0 | 0 | 112.7 | K195 | K195-E197 WeakPolarHBondContact CE-OE2 3.46Å; K195-E197 IonicContact NZ-OE2 2.64Å; K195-E197 PolarHBondContact NZ-OE2 3.22Å | ||
| 198 | Q | 33.8 | Very low | 36.4 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | trans | -101.7 | 149.4 | -163.2 | -177.6 | 86.3 | 26.8 | 0 | 0 | 111.3 | ||||
| 199 | Q | 32.1 | Very low | 36.8 | Very low | 188 Ų | 188 | 138.3 Ų | 138.3 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | trans | -175.3 | 177.1 | 136.9 | -100.5 | 152.2 | 100.4 | 0 | 0 | 114.1 | ||||
| 200 | N | 29.2 | Very low | 36.7 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | -128 | 136.8 | -145.8 | 165.5 | 49 | 0 | 0 | 0 | 113.6 | ||||
| 201 | A | 34.5 | Very low | 37.1 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | 172.9 | 149.3 | 146 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 202 | E | 33.4 | Very low | 37.2 | Very low | 183 Ų | 183 | 135.2 Ų | 135.2 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | -108.2 | 175.7 | 164.7 | -112.7 | -148.2 | 135.2 | 0 | 0 | 109.6 | ||||
| 203 | P | 59.1 | Low | 38 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | cis | -123.4 | -152.4 | -27.7 | 38.8 | -19.6 | 0 | 0 | 0 | 108.5 | ||||
| 204 | P | 44.4 | Very low | 38.6 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | cis | -134.9 | 170.5 | -6.6 | 42.5 | -25.4 | 0 | 0 | 0 | 116.7 | ||||
| 205 | G | 30.3 | Very low | 39.4 | Very low | 63 Ų | 63 | 136.5 Ų | 136.5 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | trans | 119.3 | 108.7 | 139.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 206 | S | 37 | Very low | 39.8 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | 73.4 | 158.6 | 141 | 73.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 207 | V | 43.5 | Very low | 40.4 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | 79.4 | 148 | 168.8 | -46.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 208 | D | 39.8 | Very low | 41.4 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -100.2 | 150.3 | -153.6 | -46.8 | -106.3 | 0 | 0 | 0 | 113.6 | ||||
| 209 | E | 44.5 | Very low | 42.1 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | -129.2 | 85 | 170.1 | -76.9 | -64.2 | 167.6 | 0 | 0 | 111.8 | S211 | E209-S211 PolarHBondContact O-N 2.95Š| ||
| 210 | D | 35.5 | Very low | 42.5 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | -83 | 97.5 | 164.1 | 174.6 | 24.1 | 0 | 0 | 0 | 109.8 | S212 | D210-S212 PolarHBondContact O-N 3.4Å; D210-S212 PolarHBondContact OD1-N 2.95Å | ||
| 211 | S | 44.5 | Very low | 43.7 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -72.3 | 71.3 | 168.8 | -75.6 | 0 | 0 | 0 | 0 | 111.6 | E209 S213 | E209-S211 PolarHBondContact O-N 2.95Å; S211-S213 PolarHBondContact O-N 3.47Å | ||
| 212 | S | 40.9 | Very low | 44.3 | Very low | 84 Ų | 84 | 134.2 Ų | 134.2 | 59% | 0.587 | 78% | 0.779 | S | S | * | * | trans | -71.7 | 122.8 | 174.9 | 70 | 0 | 0 | 0 | 0 | 111.4 | D210 N214 | D210-S212 PolarHBondContact O-N 3.4Å; D210-S212 PolarHBondContact OD1-N 2.95Å; S212-N214 PolarHBondContact O-N 2.83Å | ||
| 213 | S | 50 | Low | 45.1 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | -77.1 | 97.9 | 174.1 | 52.6 | 0 | 0 | 0 | 0 | 110.5 | S211 C215 | S211-S213 PolarHBondContact O-N 3.47Å; S213-C215 PolarHBondContact O-N 3.45Å | ||
| 214 | N | 41.8 | Very low | 44.4 | Very low | 147 Ų | 147 | 131.4 Ų | 131.4 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -43.8 | 126.7 | -180 | -168 | 22.7 | 0 | 0 | 0 | 114 | S212 | S212-N214 PolarHBondContact O-N 2.83Š| ||
| 215 | C | 49 | Very low | 44.7 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | -120.6 | 92.6 | 157.9 | 54.2 | 0 | 0 | 0 | 0 | 108.6 | S213 | S213-C215 PolarHBondContact O-N 3.45Š| ||
| 216 | G | 45.8 | Very low | 45.9 | Very low | 68 Ų | 68 | 134.2 Ų | 134.2 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -72 | 132.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 217 | D | 47.9 | Very low | 47 | Very low | 151 Ų | 151 | 139 Ų | 139 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | trans | -126.2 | 117.4 | 158.6 | -170.9 | -70.1 | 0 | 0 | 0 | 107.1 | ||||
| 218 | K | 52.4 | Low | 47.9 | Very low | 205 Ų | 205 | 137.8 Ų | 137.8 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | trans | -97.1 | 124.6 | 177.8 | -80.5 | -171.3 | 176.9 | -178.6 | 0 | 109.1 | ||||
| 219 | S | 48.4 | Very low | 49.7 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | 72 | 96.3 | 160 | -174 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 220 | S | 40.4 | Very low | 51.6 | Low | 98 Ų | 98 | 143.3 Ų | 143.3 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | -148.3 | 118.2 | 113.8 | -173.1 | 0 | 0 | 0 | 0 | 111.7 | Q222 | S220-Q222 PolarHBondContact O-N 3.44Š| |||
| 221 | R | 54.9 | Low | 54 | Low | 246 Ų | 246 | 146.2 Ų | 146.2 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | trans | -86.8 | 90 | 168 | -74.5 | -178.7 | 175.4 | 178.8 | -1.2 | 108.7 | ||||
| 222 | Q | 47.3 | Very low | 56.2 | Low | 169 Ų | 169 | 152.4 Ų | 152.4 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | -134.5 | 126.4 | 166.1 | -136.3 | 81.7 | 35 | 0 | 0 | 111.8 | S220 | S220-Q222 PolarHBondContact O-N 3.44Š| ||
| 223 | S | 49.5 | Very low | 58.5 | Low | 108 Ų | 108 | 153.7 Ų | 153.7 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | trans | -75.2 | 132.6 | 176.7 | 48.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 224 | S | 43.7 | Very low | 60.7 | Low | 115 Ų | 115 | 153.9 Ų | 153.9 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 178.9 | 155 | 133.4 | 43.7 | 0 | 0 | 0 | 0 | 112.6 | T226 | S224-T226 PolarHBondContact O-N 3.45Š| ||
| 225 | S | 51.7 | Low | 63.3 | Low | 124 Ų | 124 | 150.2 Ų | 150.2 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -74.7 | 80.7 | -170.5 | 41.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 226 | T | 54.7 | Low | 65.7 | Low | 122 Ų | 122 | 147.4 Ų | 147.4 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -136.2 | 134.2 | 149 | 59.6 | 0 | 0 | 0 | 0 | 111 | S224 S228 | S224-T226 PolarHBondContact O-N 3.45Å; T226-S228 VanDerWaalsContact C-N 3.25Å; T226-S228 PolarHBondContact O-N 3.23Å | ||
| 227 | K | 60.2 | Low | 68.1 | Low | 215 Ų | 215 | 152.8 Ų | 152.8 | 94% | 0.935 | 78% | 0.781 | S | S | * | * | trans | -73.8 | 81 | 174 | -73.1 | 178.5 | 179.8 | 173.2 | 0 | 109.3 | R229 | K227-R229 PolarHBondContact O-N 3.48Å; K227-R229 VanDerWaalsContact O-N 3.15Å | ||
| 228 | S | 63.9 | Low | 70.5 | Confident | 106 Ų | 106 | 150.5 Ų | 150.5 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | -56.2 | 118.8 | 176.1 | 59.4 | 0 | 0 | 0 | 0 | 109.5 | T226 K230 | T226-S228 VanDerWaalsContact C-N 3.25Å; T226-S228 PolarHBondContact O-N 3.23Å; S228-K230 PolarHBondContact O-N 3.03Å | ||
| 229 | R | 77.3 | Confident | 72.7 | Confident | 239 Ų | 239 | 142.3 Ų | 142.3 | 90% | 0.902 | 73% | 0.726 | S | S | * | * | trans | -64.3 | 122.7 | 179.4 | -70.3 | -177.1 | -132.6 | 158.7 | 4 | 108.1 | K227 K231 | K227-R229 PolarHBondContact O-N 3.48Å; K227-R229 VanDerWaalsContact O-N 3.15Å; R229-K231 PolarHBondContact O-N 3.16Å; R229-K231 VanDerWaalsContact O-N 3.16Å | ||
| 230 | K | 82.9 | Confident | 75.1 | Confident | 204 Ų | 204 | 139.6 Ų | 139.6 | 89% | 0.887 | 70% | 0.702 | S | S | * | * | trans | -44.2 | 122.3 | 175.7 | -160.4 | 114.4 | -179.1 | 179.1 | 0 | 109.1 | S228 R232 | S228-K230 PolarHBondContact O-N 3.03Å; K230-R232 PolarHBondContact O-N 3.46Å | ||
| 231 | K | 86.7 | Confident | 77.8 | Confident | 194 Ų | 194 | 141.5 Ų | 141.5 | 84% | 0.843 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 137.9 | -179.5 | -67.9 | -81.5 | -172.5 | 168.4 | 0 | 108.6 | R229 C233 | R229-K231 PolarHBondContact O-N 3.16Å; R229-K231 VanDerWaalsContact O-N 3.16Å; K231-C233 PolarHBondContact O-N 3.41Å |
| 232 | R | 89.8 | Confident | 79.9 | Confident | 245 Ų | 245 | 130.5 Ų | 130.5 | 93% | 0.925 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 116.7 | -179.5 | -71.6 | -176.5 | 175.6 | -177.7 | -0.5 | 109.5 | K230 | K230-R232 PolarHBondContact O-N 3.46Š|
| 233 | C | 90.6 | Very high | 82.3 | Confident | 111 Ų | 111 | 122.4 Ų | 122.4 | 75% | 0.75 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 131.3 | 165.5 | -56 | 0 | 0 | 0 | 0 | 109.2 | K231 | K231-C233 PolarHBondContact O-N 3.41Š|
| 234 | P | 95 | Very high | 84.6 | Confident | 123 Ų | 123 | 120.5 Ų | 120.5 | 80% | 0.799 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 151.4 | 170.5 | 30.2 | -34 | 0 | 0 | 0 | 110.5 | ||
| 235 | Y | 97.4 | Very high | 87.2 | Confident | 70 Ų | 70 | 120.3 Ų | 120.3 | 28% | 0.275 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -75.7 | 143.6 | 173.8 | -59.6 | -47.5 | 0 | 0 | 0 | 111 | L267 W275 | Y235-L267 HydrophobicContact CD1-CD1 4.29Å; Y235-L267 HydrophobicContact CD1-CD2 3.83Å; Y235-L267 HydrophobicContact CE1-CD1 4.2Å; Y235-L267 HydrophobicContact CE1-CD2 3.62Å; Y235-W275 AromaticContact CD2-CD1 3.88Å; Y235-W275 AromaticContact CE2-CD1 3.75Å |
| 236 | S | 98.1 | Very high | 89.4 | Confident | 67 Ų | 67 | 116.3 Ų | 116.3 | 47% | 0.469 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 151.9 | 174.9 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | Y238 Q239 I240 | S236-Y238 PolarHBondContact O-N 3.45Å; S236-Y238 PolarHBondContact OG-N 3.26Å; S236-Q239 PolarHBondContact O-N 3.16Å; S236-I240 WeakPolarHBondContact O-CG1 3.39Å; S236-I240 PolarHBondContact O-N 3.05Å |
| 237 | K | 97.8 | Very high | 91.4 | Very high | 181 Ų | 181 | 110.6 Ų | 110.6 | 79% | 0.787 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -52.8 | -36.2 | 173.6 | -65.8 | -177.5 | 179.8 | 179 | 0 | 112.1 | R241 | K237-R241 WeakPolarHBondContact O-CB 3.17Å; K237-R241 PolarHBondContact O-N 3.31Å; K237-R241 VanDerWaalsContact O-N 3.1Å |
| 238 | Y | 97.9 | Very high | 93.2 | Very high | 102 Ų | 102 | 108 Ų | 108 | 40% | 0.4 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -54 | 174.4 | 174.7 | -109.3 | 0 | 0 | 0 | 111.4 | S236 I240 R241 E242 L265 | S236-Y238 PolarHBondContact O-N 3.45Å; S236-Y238 PolarHBondContact OG-N 3.26Å; Y238-I240 VanDerWaalsContact C-N 3.27Å; Y238-I240 PolarHBondContact O-N 2.89Å; Y238-R241 PolarHBondContact O-N 3.45Å; Y238-R241 VanDerWaalsContact O-N 3.08Å; Y238-E242 HydrophobicContact CD1-CG 4.49Å; Y238-E242 HydrophobicContact CD2-CG 4.01Å; Y238-E242 HydrophobicContact CE1-CG 4.11Å; Y238-E242 HydrophobicContact CE2-CG 3.56Å; Y238-E242 HydrophobicContact CG-CG 4.44Å; Y238-E242 WeakPolarHBondContact O-CG 3.4Å; Y238-E242 PolarHBondContact O-N 3.44Å; Y238-L265 HydrophobicContact CD1-CD2 4.24Å; Y238-L265 HydrophobicContact CE1-CD2 3.71Å |
| 239 | Q | 98.1 | Very high | 94.7 | Very high | 33 Ų | 33 | 110.4 Ų | 110.4 | 15% | 0.154 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -54.9 | -43.1 | 179.2 | -65.3 | 173.2 | -39.2 | 0 | 0 | 111.9 | S236 L243 L265 | S236-Q239 PolarHBondContact O-N 3.16Å; Q239-L243 WeakPolarHBondContact O-CB 3.45Å; Q239-L243 VanDerWaalsContact O-CD1 3.28Å; Q239-L243 WeakPolarHBondContact O-CD1 3.45Å; Q239-L243 WeakPolarHBondContact O-CG 3.36Å; Q239-L243 PolarHBondContact O-N 3.01Å; Q239-L243 VanDerWaalsContact O-N 3.11Å; Q239-L265 HydrophobicContact CG-CB 4.24Å; Q239-L265 PolarHBondContact NE2-O 3.43Å |
| 240 | I | 98.1 | Very high | 95.6 | Very high | 59 Ų | 59 | 102.7 Ų | 102.7 | 30% | 0.303 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 177.5 | -63.8 | 166.4 | 0 | 0 | 0 | 110.9 | S236 Y238 E242 L243 E244 | S236-I240 WeakPolarHBondContact O-CG1 3.39Å; S236-I240 PolarHBondContact O-N 3.05Å; Y238-I240 VanDerWaalsContact C-N 3.27Å; Y238-I240 PolarHBondContact O-N 2.89Å; I240-E242 PolarHBondContact O-N 2.87Å; I240-L243 PolarHBondContact O-N 3.5Å; I240-E244 HydrophobicContact CG2-CG 4.26Å; I240-E244 WeakPolarHBondContact O-CB 3.33Å; I240-E244 WeakPolarHBondContact O-CG 3.33Å; I240-E244 PolarHBondContact O-N 3.4Å |
| 241 | R | 98.3 | Very high | 96.3 | Very high | 139 Ų | 139 | 95.4 Ų | 95.4 | 53% | 0.525 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.3 | -43.6 | -179.1 | -169.9 | -164 | -58.7 | 124.1 | -5.7 | 112.6 | K237 Y238 E244 R245 | K237-R241 WeakPolarHBondContact O-CB 3.17Å; K237-R241 PolarHBondContact O-N 3.31Å; K237-R241 VanDerWaalsContact O-N 3.1Å; Y238-R241 PolarHBondContact O-N 3.45Å; Y238-R241 VanDerWaalsContact O-N 3.08Å; R241-E244 PolarHBondContact O-N 2.73Å; R241-R245 PolarHBondContact O-N 3.12Å |
| 242 | E | 98.2 | Very high | 96.8 | Very high | 14 Ų | 14 | 93.1 Ų | 93.1 | 7% | 0.065 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -67.6 | -42 | 179.6 | -60.6 | -60.4 | 120.7 | 0 | 0 | 111.6 | Y238 I240 E244 R245 E246 M264 L265 | Y238-E242 HydrophobicContact CD1-CG 4.49Å; Y238-E242 HydrophobicContact CD2-CG 4.01Å; Y238-E242 HydrophobicContact CE1-CG 4.11Å; Y238-E242 HydrophobicContact CE2-CG 3.56Å; Y238-E242 HydrophobicContact CG-CG 4.44Å; Y238-E242 WeakPolarHBondContact O-CG 3.4Å; Y238-E242 PolarHBondContact O-N 3.44Å; I240-E242 PolarHBondContact O-N 2.87Å; E242-E244 VanDerWaalsContact C-N 3.35Å; E242-R245 PolarHBondContact O-N 3.48Å; E242-R245 IonicContact OE1-CZ 3.94Å; E242-R245 IonicContact OE1-NH1 2.88Å; E242-R245 PolarHBondContact OE1-NH1 2.58Å; E242-R245 IonicContact OE1-NH2 2.7Å; E242-R245 PolarHBondContact OE1-NH2 3.32Å; E242-R245 IonicContact OE2-CZ 3.45Å; E242-R245 IonicContact OE2-NH1 3.46Å; E242-R245 PolarHBondContact OE2-NH1 3.3Å; E242-R245 IonicContact OE2-NH2 3.47Å; E242-R245 PolarHBondContact OE2-NH2 3.42Å; E242-E246 PolarHBondContact O-N 2.97Å; E242-E246 VanDerWaalsContact O-N 3.16Å; E242-M264 HydrophobicContact CB-CE 4Å; E242-M264 HydrophobicContact CG-CE 4.02Å; E242-M264 WeakPolarHBondContact OE2-CE 3.28Å; E242-L265 HydrophobicContact CB-CD1 4.08Å; E242-L265 HydrophobicContact CB-CD2 3.71Å; E242-L265 HydrophobicContact CB-CG 4.48Å; E242-L265 HydrophobicContact CG-CD2 3.79Å |
| 243 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 174.1 | -71 | 164.3 | 0 | 0 | 0 | 112.1 | Q239 I240 F247 L261 L265 L267 V272 W275 F276 | Q239-L243 WeakPolarHBondContact O-CB 3.45Å; Q239-L243 VanDerWaalsContact O-CD1 3.28Å; Q239-L243 WeakPolarHBondContact O-CD1 3.45Å; Q239-L243 WeakPolarHBondContact O-CG 3.36Å; Q239-L243 PolarHBondContact O-N 3.01Å; Q239-L243 VanDerWaalsContact O-N 3.11Å; I240-L243 PolarHBondContact O-N 3.5Å; L243-F247 WeakPolarHBondContact O-CB 3.25Å; L243-F247 PolarHBondContact O-N 3.34Å; L243-L261 HydrophobicContact CD2-CD1 4.05Å; L243-L265 HydrophobicContact CD1-CD1 4.23Å; L243-L265 HydrophobicContact CD2-CD1 3.98Å; L243-L265 HydrophobicContact CG-CD1 3.67Å; L243-L267 HydrophobicContact CD1-CD1 4.11Å; L243-V272 HydrophobicContact CD2-CG1 3.96Å; L243-W275 VanDerWaalsContact C-CH2 3.46Å; L243-W275 HydrophobicContact CB-CD2 3.83Å; L243-W275 HydrophobicContact CB-CE3 3.84Å; L243-W275 HydrophobicContact CB-CH2 3.69Å; L243-W275 HydrophobicContact CB-CZ2 3.66Å; L243-W275 HydrophobicContact CB-CZ3 3.77Å; L243-W275 HydrophobicContact CD1-CB 4.45Å; L243-W275 HydrophobicContact CD1-CD2 3.89Å; L243-W275 HydrophobicContact CD1-CG 3.79Å; L243-W275 HydrophobicContact CD2-CD2 4.34Å; L243-W275 HydrophobicContact CD2-CE3 4.24Å; L243-W275 HydrophobicContact CG-CD2 4.24Å; L243-W275 HydrophobicContact CG-CE3 4.43Å; L243-W275 WeakPolarHBondContact O-CH2 3.42Å; L243-W275 WeakPolarHBondContact O-CZ3 3.45Å; L243-F276 HydrophobicContact CD2-CE2 4.04Å |
| 244 | E | 98.1 | Very high | 97.5 | Very high | 68 Ų | 68 | 82.3 Ų | 82.3 | 32% | 0.318 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.2 | -41.8 | 175 | -73.5 | -178.8 | 156.6 | 0 | 0 | 111.9 | I240 R241 E242 E246 F247 F248 W275 | I240-E244 HydrophobicContact CG2-CG 4.26Å; I240-E244 WeakPolarHBondContact O-CB 3.33Å; I240-E244 WeakPolarHBondContact O-CG 3.33Å; I240-E244 PolarHBondContact O-N 3.4Å; R241-E244 PolarHBondContact O-N 2.73Å; E242-E244 VanDerWaalsContact C-N 3.35Å; E244-E246 PolarHBondContact O-N 3.4Å; E244-F247 WeakPolarHBondContact O-CB 3.37Å; E244-F247 PolarHBondContact O-N 2.9Å; E244-F247 VanDerWaalsContact O-N 3.16Å; E244-F248 HydrophobicContact CB-CE2 4.4Å; E244-F248 WeakPolarHBondContact O-CD2 3.01Å; E244-F248 PolarHBondContact O-N 3.44Å; E244-W275 HydrophobicContact CB-CH2 4.5Å; E244-W275 HydrophobicContact CG-CH2 3.78Å; E244-W275 HydrophobicContact CG-CZ2 3.73Å |
| 245 | R | 97.9 | Very high | 97.6 | Very high | 110 Ų | 110 | 84.7 Ų | 84.7 | 42% | 0.415 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56.8 | -50.6 | 175.8 | -165.4 | -162.2 | -62.9 | 120.9 | 9.2 | 111.6 | R241 E242 F247 F248 F249 | R241-R245 PolarHBondContact O-N 3.12Å; E242-R245 PolarHBondContact O-N 3.48Å; E242-R245 IonicContact OE1-CZ 3.94Å; E242-R245 IonicContact OE1-NH1 2.88Å; E242-R245 PolarHBondContact OE1-NH1 2.58Å; E242-R245 IonicContact OE1-NH2 2.7Å; E242-R245 PolarHBondContact OE1-NH2 3.32Å; E242-R245 IonicContact OE2-CZ 3.45Å; E242-R245 IonicContact OE2-NH1 3.46Å; E242-R245 PolarHBondContact OE2-NH1 3.3Å; E242-R245 IonicContact OE2-NH2 3.47Å; E242-R245 PolarHBondContact OE2-NH2 3.42Å; R245-F247 VanDerWaalsContact C-N 3.29Å; R245-F247 PolarHBondContact O-N 2.91Å; R245-F248 PolarHBondContact O-N 3.21Å; R245-F249 HydrophobicContact CG-CD2 4.34Å; R245-F249 HydrophobicContact CG-CE2 3.77Å; R245-F249 VanDerWaalsContact O-CD2 3.27Å; R245-F249 WeakPolarHBondContact O-CD2 3.41Å; R245-F249 PolarHBondContact O-N 3.18Å |
| 246 | E | 97.9 | Very high | 97.6 | Very high | 40 Ų | 40 | 89 Ų | 89 | 19% | 0.187 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.4 | -31.6 | 178.1 | -73.2 | -75.5 | 169.9 | 0 | 0 | 112.4 | E242 E244 F248 F249 N250 K257 L261 F276 | E242-E246 PolarHBondContact O-N 2.97Å; E242-E246 VanDerWaalsContact O-N 3.16Å; E244-E246 PolarHBondContact O-N 3.4Å; E246-F248 VanDerWaalsContact C-N 3.34Å; E246-F248 PolarHBondContact O-N 2.99Å; E246-F249 PolarHBondContact O-N 2.85Å; E246-N250 PolarHBondContact O-N 2.94Å; E246-K257 IonicContact OE1-NZ 3.16Å; E246-L261 HydrophobicContact CB-CD1 3.97Å; E246-L261 HydrophobicContact CG-CD1 3.9Å; E246-L261 HydrophobicContact CG-CD2 4.04Å; E246-L261 HydrophobicContact CG-CG 4.31Å; E246-F276 HydrophobicContact CB-CZ 4.27Å |
| 247 | F | 97.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 89.6 Ų | 89.6 | 1% | 0.013 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.7 | -35.3 | 173.6 | -172.3 | -91.5 | 0 | 0 | 0 | 113.2 | L243 E244 R245 N250 V251 W275 F276 R279 R280 E283 | L243-F247 WeakPolarHBondContact O-CB 3.25Å; L243-F247 PolarHBondContact O-N 3.34Å; E244-F247 WeakPolarHBondContact O-CB 3.37Å; E244-F247 PolarHBondContact O-N 2.9Å; E244-F247 VanDerWaalsContact O-N 3.16Å; R245-F247 VanDerWaalsContact C-N 3.29Å; R245-F247 PolarHBondContact O-N 2.91Å; F247-N250 CarbonylContact O-C 3.55Å; F247-V251 HydrophobicContact CE1-CG2 4.24Å; F247-V251 HydrophobicContact CE2-CB 4.28Å; F247-V251 HydrophobicContact CE2-CG1 3.93Å; F247-V251 HydrophobicContact CZ-CB 4.23Å; F247-V251 HydrophobicContact CZ-CG1 3.8Å; F247-V251 HydrophobicContact CZ-CG2 4.06Å; F247-V251 PolarHBondContact O-N 3.27Å; F247-W275 HydrophobicContact CB-CH2 4.22Å; F247-W275 HydrophobicContact CB-CZ3 4.05Å; F247-W275 HydrophobicContact CD2-CZ3 4.28Å; F247-W275 HydrophobicContact CG-CZ3 4.39Å; F247-F276 HydrophobicContact CB-CE1 4.19Å; F247-F276 HydrophobicContact CB-CZ 4.45Å; F247-F276 AromaticContact CD2-CD1 3.83Å; F247-F276 HydrophobicContact CD2-CD1 3.83Å; F247-F276 AromaticContact CD2-CE1 3.81Å; F247-F276 HydrophobicContact CD2-CE1 3.81Å; F247-F276 HydrophobicContact CE2-CD1 4.47Å; F247-R279 HydrophobicContact CD1-CG 3.83Å; F247-R279 HydrophobicContact CD2-CB 4.14Å; F247-R279 HydrophobicContact CD2-CG 3.54Å; F247-R279 HydrophobicContact CE1-CG 3.9Å; F247-R279 HydrophobicContact CE2-CB 4.09Å; F247-R279 HydrophobicContact CE2-CG 3.61Å; F247-R279 HydrophobicContact CG-CG 3.66Å; F247-R279 HydrophobicContact CZ-CG 3.78Å; F247-R280 HydrophobicContact CE2-CG 3.7Å; F247-R280 HydrophobicContact CZ-CG 4Å; F247-E283 VanDerWaalsContact CE1-OE1 3.3Å; F247-E283 WeakPolarHBondContact CE1-OE1 3.44Å; F247-E283 WeakPolarHBondContact CZ-OE2 3.5Å |
| 248 | F | 96.7 | Very high | 97.6 | Very high | 160 Ų | 160 | 83.1 Ų | 83.1 | 70% | 0.702 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -68 | -34.3 | 173.6 | -72.3 | -67.5 | 0 | 0 | 0 | 112.6 | E244 R245 E246 | E244-F248 HydrophobicContact CB-CE2 4.4Å; E244-F248 WeakPolarHBondContact O-CD2 3.01Å; E244-F248 PolarHBondContact O-N 3.44Å; R245-F248 PolarHBondContact O-N 3.21Å; E246-F248 VanDerWaalsContact C-N 3.34Å; E246-F248 PolarHBondContact O-N 2.99Å |
| 249 | F | 96.6 | Very high | 97.6 | Very high | 157 Ų | 157 | 81.7 Ų | 81.7 | 69% | 0.689 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -73 | -42.2 | 174.2 | -69.4 | -58.8 | 0 | 0 | 0 | 112.5 | R245 E246 | R245-F249 HydrophobicContact CG-CD2 4.34Å; R245-F249 HydrophobicContact CG-CE2 3.77Å; R245-F249 VanDerWaalsContact O-CD2 3.27Å; R245-F249 WeakPolarHBondContact O-CD2 3.41Å; R245-F249 PolarHBondContact O-N 3.18Å; E246-F249 PolarHBondContact O-N 2.85Å |
| 250 | N | 95.5 | Very high | 97.6 | Very high | 76 Ų | 76 | 84.9 Ų | 84.9 | 41% | 0.406 | 38% | 0.384 | S | S | . | . | trans | -150.5 | 118.7 | 174.9 | -166.6 | -17.1 | 0 | 0 | 0 | 112 | E246 F247 Y252 | E246-N250 PolarHBondContact O-N 2.94Å; F247-N250 CarbonylContact O-C 3.55Å; N250-Y252 PolarHBondContact ND2-O 2.82Å; N250-Y252 VanDerWaalsContact ND2-O 3.17Å; N250-Y252 PolarHBondContact O-N 3.46Å; N250-Y252 VanDerWaalsContact O-N 3.07Å; N250-Y252 PolarHBondContact OD1-N 2.86Å; N250-Y252 PolarHBondContact OD1-O 3.42Å; N250-Y252 VanDerWaalsContact OD1-O 3.09Å | ||
| 251 | V | 96.8 | Very high | 97.6 | Very high | 52 Ų | 52 | 82.2 Ų | 82.2 | 32% | 0.315 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -58.1 | -21.7 | 175.4 | 174.9 | 0 | 0 | 0 | 0 | 112.5 | F247 R280 | F247-V251 HydrophobicContact CE1-CG2 4.24Å; F247-V251 HydrophobicContact CE2-CB 4.28Å; F247-V251 HydrophobicContact CE2-CG1 3.93Å; F247-V251 HydrophobicContact CZ-CB 4.23Å; F247-V251 HydrophobicContact CZ-CG1 3.8Å; F247-V251 HydrophobicContact CZ-CG2 4.06Å; F247-V251 PolarHBondContact O-N 3.27Å; V251-R280 HydrophobicContact CG1-CG 3.73Å; V251-R280 WeakPolarHBondContact O-CD 3.47Å |
| 252 | Y | 97.6 | Very high | 97.6 | Very high | 145 Ų | 145 | 76.5 Ų | 76.5 | 57% | 0.569 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -122.3 | 114.3 | 179.6 | -67.4 | -106.8 | 0 | 0 | 0 | 111.4 | N250 | N250-Y252 PolarHBondContact ND2-O 2.82Å; N250-Y252 VanDerWaalsContact ND2-O 3.17Å; N250-Y252 PolarHBondContact O-N 3.46Å; N250-Y252 VanDerWaalsContact O-N 3.07Å; N250-Y252 PolarHBondContact OD1-N 2.86Å; N250-Y252 PolarHBondContact OD1-O 3.42Å; N250-Y252 VanDerWaalsContact OD1-O 3.09Å |
| 253 | I | 97.3 | Very high | 97.6 | Very high | 22 Ų | 22 | 84.3 Ų | 84.3 | 11% | 0.113 | 38% | 0.38 | C | S | . | . | trans | -85.4 | 121 | -176.5 | -164.9 | 167.6 | 0 | 0 | 0 | 114.3 | K257 R258 L261 V272 F276 | I253-K257 HydrophobicContact CD1-CB 4.18Å; I253-K257 HydrophobicContact CG1-CB 3.79Å; I253-R258 HydrophobicContact CD1-CB 4.08Å; I253-R258 HydrophobicContact CD1-CG 4.4Å; I253-R258 HydrophobicContact CG1-CB 4.11Å; I253-R258 HydrophobicContact CG2-CB 4.31Å; I253-R258 HydrophobicContact CG2-CG 4.22Å; I253-R258 PolarHBondContact O-NH2 3.31Å; I253-L261 HydrophobicContact CD1-CD1 3.49Å; I253-L261 VanDerWaalsContact CD1-CD1 3.49Å; I253-L261 HydrophobicContact CD1-CG 4.32Å; I253-V272 HydrophobicContact CD1-CG1 4.11Å; I253-F276 HydrophobicContact CB-CD1 3.92Å; I253-F276 HydrophobicContact CB-CD2 4.24Å; I253-F276 HydrophobicContact CB-CE1 3.79Å; I253-F276 HydrophobicContact CB-CE2 4.12Å; I253-F276 HydrophobicContact CB-CG 4.16Å; I253-F276 HydrophobicContact CB-CZ 3.9Å; I253-F276 HydrophobicContact CD1-CD2 4.32Å; I253-F276 HydrophobicContact CD1-CE2 3.66Å; I253-F276 HydrophobicContact CD1-CZ 3.79Å; I253-F276 HydrophobicContact CG1-CE2 4.48Å; I253-F276 HydrophobicContact CG1-CZ 4.33Å; I253-F276 HydrophobicContact CG2-CB 4.21Å; I253-F276 HydrophobicContact CG2-CD1 3.95Å; I253-F276 HydrophobicContact CG2-CD2 3.79Å; I253-F276 HydrophobicContact CG2-CE1 4.27Å; I253-F276 HydrophobicContact CG2-CE2 4.13Å; I253-F276 HydrophobicContact CG2-CG 3.7Å; I253-F276 HydrophobicContact CG2-CZ 4.37Å | ||
| 254 | N | 97.8 | Very high | 97.6 | Very high | 108 Ų | 108 | 88.2 Ų | 88.2 | 58% | 0.578 | 40% | 0.399 | S | S | * | . | trans | -61.6 | 157 | 172.7 | -71.8 | -4.4 | 0 | 0 | 0 | 112.2 | E256 K257 R258 | N254-E256 PolarHBondContact O-N 3.1Å; N254-K257 PolarHBondContact O-N 2.86Å; N254-R258 WeakPolarHBondContact O-CB 3.34Å; N254-R258 PolarHBondContact O-N 3.03Å | ||
| 255 | K | 97.8 | Very high | 97.6 | Very high | 172 Ų | 172 | 85.1 Ų | 85.1 | 75% | 0.748 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -56.2 | -47 | -178 | -176.5 | -177.1 | 175.6 | -173 | 0 | 112.3 | R258 L259 | K255-R258 PolarHBondContact O-N 3.43Å; K255-L259 PolarHBondContact O-N 2.86Å; K255-L259 VanDerWaalsContact O-N 3.09Å |
| 256 | E | 97.9 | Very high | 97.6 | Very high | 160 Ų | 160 | 86.9 Ų | 86.9 | 75% | 0.748 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.3 | -53.5 | 179.6 | -178.6 | -178.1 | -164.3 | 0 | 0 | 112.2 | N254 R258 L259 Q260 | N254-E256 PolarHBondContact O-N 3.1Å; E256-R258 PolarHBondContact O-N 2.88Å; E256-L259 WeakPolarHBondContact O-CA 3.13Å; E256-L259 WeakPolarHBondContact O-CB 3.25Å; E256-L259 PolarHBondContact O-N 3.44Å; E256-Q260 PolarHBondContact O-N 3.44Å |
| 257 | K | 97.7 | Very high | 97.5 | Very high | 80 Ų | 80 | 85.5 Ų | 85.5 | 35% | 0.348 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58 | -36.2 | 176.8 | -77.8 | -73.2 | 175.6 | -175.5 | 0 | 112.7 | E246 I253 N254 Q260 L261 | E246-K257 IonicContact OE1-NZ 3.16Å; I253-K257 HydrophobicContact CD1-CB 4.18Å; I253-K257 HydrophobicContact CG1-CB 3.79Å; N254-K257 PolarHBondContact O-N 2.86Å; K257-Q260 PolarHBondContact O-N 3.35Å; K257-L261 PolarHBondContact O-N 3.27Å |
| 258 | R | 98.3 | Very high | 97.5 | Very high | 45 Ų | 45 | 89 Ų | 89 | 17% | 0.17 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 175 | -159.4 | -171.3 | -53.9 | 135.4 | 14.4 | 112.1 | I253 N254 K255 E256 S262 D269 V272 | I253-R258 HydrophobicContact CD1-CB 4.08Å; I253-R258 HydrophobicContact CD1-CG 4.4Å; I253-R258 HydrophobicContact CG1-CB 4.11Å; I253-R258 HydrophobicContact CG2-CB 4.31Å; I253-R258 HydrophobicContact CG2-CG 4.22Å; I253-R258 PolarHBondContact O-NH2 3.31Å; N254-R258 WeakPolarHBondContact O-CB 3.34Å; N254-R258 PolarHBondContact O-N 3.03Å; K255-R258 PolarHBondContact O-N 3.43Å; E256-R258 PolarHBondContact O-N 2.88Å; R258-S262 WeakPolarHBondContact O-CB 3.39Å; R258-S262 PolarHBondContact O-N 3Å; R258-D269 VanDerWaalsContact CD-CG 3.43Å; R258-D269 WeakPolarHBondContact CD-O 3.36Å; R258-D269 VanDerWaalsContact CD-OD1 3.27Å; R258-D269 WeakPolarHBondContact CD-OD1 3.42Å; R258-D269 VanDerWaalsContact CD-OD2 3.26Å; R258-D269 WeakPolarHBondContact CD-OD2 3.27Å; R258-D269 IonicContact NH1-OD1 3.45Å; R258-D269 IonicContact NH1-OD2 3.63Å; R258-D269 PolarHBondContact NH1-OD2 3.43Å; R258-D269 VanDerWaalsContact NH1-OD2 3.16Å; R258-V272 HydrophobicContact CG-CB 3.81Å; R258-V272 HydrophobicContact CG-CG1 3.62Å |
| 259 | L | 98.3 | Very high | 97.6 | Very high | 73 Ų | 73 | 84.1 Ų | 84.1 | 38% | 0.382 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.4 | -37.7 | 175.2 | -173.9 | 61.4 | 0 | 0 | 0 | 111.9 | K255 E256 S262 R263 | K255-L259 PolarHBondContact O-N 2.86Å; K255-L259 VanDerWaalsContact O-N 3.09Å; E256-L259 WeakPolarHBondContact O-CA 3.13Å; E256-L259 WeakPolarHBondContact O-CB 3.25Å; E256-L259 PolarHBondContact O-N 3.44Å; L259-S262 WeakPolarHBondContact O-CB 3.42Å; L259-S262 PolarHBondContact O-N 3.35Å; L259-R263 WeakPolarHBondContact O-CG 3.5Å; L259-R263 PolarHBondContact O-N 3.42Å; L259-R263 VanDerWaalsContact O-N 3.12Å |
| 260 | Q | 98.1 | Very high | 97.6 | Very high | 99 Ų | 99 | 85.3 Ų | 85.3 | 46% | 0.463 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.3 | -51.6 | 173 | -171.6 | 178.9 | 15.5 | 0 | 0 | 111.1 | E256 K257 S262 R263 M264 | E256-Q260 PolarHBondContact O-N 3.44Å; K257-Q260 PolarHBondContact O-N 3.35Å; Q260-S262 PolarHBondContact O-N 3.18Å; Q260-R263 PolarHBondContact O-N 2.79Å; Q260-M264 WeakPolarHBondContact O-CB 3.44Å; Q260-M264 PolarHBondContact O-N 3.46Å |
| 261 | L | 97.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 84.8 Ų | 84.8 | 2% | 0.016 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.5 | -36.7 | 176.7 | -72.7 | -176 | 0 | 0 | 0 | 113.3 | L243 E246 I253 K257 R263 M264 L265 V272 F276 | L243-L261 HydrophobicContact CD2-CD1 4.05Å; E246-L261 HydrophobicContact CB-CD1 3.97Å; E246-L261 HydrophobicContact CG-CD1 3.9Å; E246-L261 HydrophobicContact CG-CD2 4.04Å; E246-L261 HydrophobicContact CG-CG 4.31Å; I253-L261 HydrophobicContact CD1-CD1 3.49Å; I253-L261 VanDerWaalsContact CD1-CD1 3.49Å; I253-L261 HydrophobicContact CD1-CG 4.32Å; K257-L261 PolarHBondContact O-N 3.27Å; L261-R263 VanDerWaalsContact C-N 3.32Å; L261-R263 PolarHBondContact O-N 3.41Å; L261-M264 HydrophobicContact CD2-CE 3.74Å; L261-M264 PolarHBondContact O-N 3.49Å; L261-L265 HydrophobicContact CB-CD1 4.5Å; L261-L265 HydrophobicContact CD2-CD1 4.28Å; L261-L265 VanDerWaalsContact O-CB 3.25Å; L261-L265 WeakPolarHBondContact O-CB 3.02Å; L261-L265 WeakPolarHBondContact O-CG 3.19Å; L261-L265 PolarHBondContact O-N 2.9Å; L261-V272 HydrophobicContact CB-CG1 4.31Å; L261-V272 HydrophobicContact CD1-CG1 4.34Å; L261-F276 HydrophobicContact CD1-CE2 4.21Å |
| 262 | S | 98.3 | Very high | 97.8 | Very high | 19 Ų | 19 | 82.3 Ų | 82.3 | 13% | 0.133 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -55.6 | -48.6 | 176.1 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | R258 L259 Q260 N266 L267 D269 | R258-S262 WeakPolarHBondContact O-CB 3.39Å; R258-S262 PolarHBondContact O-N 3Å; L259-S262 WeakPolarHBondContact O-CB 3.42Å; L259-S262 PolarHBondContact O-N 3.35Å; Q260-S262 PolarHBondContact O-N 3.18Å; S262-N266 PolarHBondContact O-N 3.24Å; S262-L267 CarbonylContact C-O 3.35Å; S262-L267 WeakPolarHBondContact CA-O 3.3Å; S262-L267 VanDerWaalsContact CB-O 3.25Å; S262-L267 WeakPolarHBondContact CB-O 3.02Å; S262-L267 PolarHBondContact O-N 3.07Å; S262-L267 PolarHBondContact OG-O 3.39Å; S262-D269 PolarHBondContact OG-N 3.35Å |
| 263 | R | 98.1 | Very high | 97.8 | Very high | 179 Ų | 179 | 80.2 Ų | 80.2 | 68% | 0.675 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.9 | -53.2 | 175.9 | -67.4 | 169.3 | 176.9 | 167.6 | -3.8 | 112 | L259 Q260 L261 L265 N266 | L259-R263 WeakPolarHBondContact O-CG 3.5Å; L259-R263 PolarHBondContact O-N 3.42Å; L259-R263 VanDerWaalsContact O-N 3.12Å; Q260-R263 PolarHBondContact O-N 2.79Å; L261-R263 VanDerWaalsContact C-N 3.32Å; L261-R263 PolarHBondContact O-N 3.41Å; R263-L265 VanDerWaalsContact C-N 3.25Å; R263-L265 PolarHBondContact O-N 3.18Å; R263-N266 PolarHBondContact O-N 3.15Å |
| 264 | M | 97.8 | Very high | 97.8 | Very high | 81 Ų | 81 | 81.5 Ų | 81.5 | 40% | 0.399 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.8 | -30.6 | -174.6 | -169.4 | 179 | 82.9 | 0 | 0 | 113.6 | E242 Q260 L261 | E242-M264 HydrophobicContact CB-CE 4Å; E242-M264 HydrophobicContact CG-CE 4.02Å; E242-M264 WeakPolarHBondContact OE2-CE 3.28Å; Q260-M264 WeakPolarHBondContact O-CB 3.44Å; Q260-M264 PolarHBondContact O-N 3.46Å; L261-M264 HydrophobicContact CD2-CE 3.74Å; L261-M264 PolarHBondContact O-N 3.49Å |
| 265 | L | 97.4 | Very high | 97.9 | Very high | 4 Ų | 4 | 77.6 Ų | 77.6 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -0.1 | -175.8 | -56.3 | -174.8 | 0 | 0 | 0 | 113.9 | Y238 Q239 E242 L243 L261 R263 L267 | Y238-L265 HydrophobicContact CD1-CD2 4.24Å; Y238-L265 HydrophobicContact CE1-CD2 3.71Å; Q239-L265 HydrophobicContact CG-CB 4.24Å; Q239-L265 PolarHBondContact NE2-O 3.43Å; E242-L265 HydrophobicContact CB-CD1 4.08Å; E242-L265 HydrophobicContact CB-CD2 3.71Å; E242-L265 HydrophobicContact CB-CG 4.48Å; E242-L265 HydrophobicContact CG-CD2 3.79Å; L243-L265 HydrophobicContact CD1-CD1 4.23Å; L243-L265 HydrophobicContact CD2-CD1 3.98Å; L243-L265 HydrophobicContact CG-CD1 3.67Å; L261-L265 HydrophobicContact CB-CD1 4.5Å; L261-L265 HydrophobicContact CD2-CD1 4.28Å; L261-L265 VanDerWaalsContact O-CB 3.25Å; L261-L265 WeakPolarHBondContact O-CB 3.02Å; L261-L265 WeakPolarHBondContact O-CG 3.19Å; L261-L265 PolarHBondContact O-N 2.9Å; R263-L265 VanDerWaalsContact C-N 3.25Å; R263-L265 PolarHBondContact O-N 3.18Å; L265-L267 VanDerWaalsContact C-N 3.28Å; L265-L267 HydrophobicContact CB-CD1 4.1Å; L265-L267 HydrophobicContact CB-CG 4.05Å; L265-L267 HydrophobicContact CD1-CD1 4.43Å; L265-L267 PolarHBondContact O-N 2.86Å |
| 266 | N | 97.7 | Very high | 97.9 | Very high | 146 Ų | 146 | 69.7 Ų | 69.7 | 78% | 0.781 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 47.6 | -170.9 | -63.4 | -60.3 | 0 | 0 | 0 | 112.3 | S262 R263 | S262-N266 PolarHBondContact O-N 3.24Å; R263-N266 PolarHBondContact O-N 3.15Å |
| 267 | L | 97.1 | Very high | 97.9 | Very high | 12 Ų | 12 | 66 Ų | 66 | 6% | 0.063 | 31% | 0.306 | C | S | . | . | trans | -121.2 | 146.3 | 177 | -66.6 | -179.5 | 0 | 0 | 0 | 109.6 | Y235 L243 S262 L265 Q271 V272 | Y235-L267 HydrophobicContact CD1-CD1 4.29Å; Y235-L267 HydrophobicContact CD1-CD2 3.83Å; Y235-L267 HydrophobicContact CE1-CD1 4.2Å; Y235-L267 HydrophobicContact CE1-CD2 3.62Å; L243-L267 HydrophobicContact CD1-CD1 4.11Å; S262-L267 CarbonylContact C-O 3.35Å; S262-L267 WeakPolarHBondContact CA-O 3.3Å; S262-L267 VanDerWaalsContact CB-O 3.25Å; S262-L267 WeakPolarHBondContact CB-O 3.02Å; S262-L267 PolarHBondContact O-N 3.07Å; S262-L267 PolarHBondContact OG-O 3.39Å; L265-L267 VanDerWaalsContact C-N 3.28Å; L265-L267 HydrophobicContact CB-CD1 4.1Å; L265-L267 HydrophobicContact CB-CG 4.05Å; L265-L267 HydrophobicContact CD1-CD1 4.43Å; L265-L267 PolarHBondContact O-N 2.86Å; L267-Q271 HydrophobicContact CB-CB 4.3Å; L267-V272 HydrophobicContact CB-CG2 4.09Å | ||
| 268 | T | 98 | Very high | 97.9 | Very high | 77 Ų | 77 | 67 Ų | 67 | 47% | 0.472 | 32% | 0.315 | S | S | . | . | trans | -67.2 | 150.6 | 173.1 | 60.1 | 0 | 0 | 0 | 0 | 111.8 | R270 Q271 V272 | T268-R270 PolarHBondContact O-N 2.94Å; T268-R270 VanDerWaalsContact O-N 3.09Å; T268-Q271 WeakPolarHBondContact O-CA 3.35Å; T268-Q271 WeakPolarHBondContact O-CB 3.3Å; T268-Q271 PolarHBondContact O-N 2.84Å; T268-Q271 VanDerWaalsContact OG1-CG 3.32Å; T268-Q271 WeakPolarHBondContact OG1-CG 3.49Å; T268-Q271 PolarHBondContact OG1-N 3.35Å; T268-Q271 PolarHBondContact OG1-OE1 3.09Å; T268-V272 PolarHBondContact O-N 3.19Å; T268-V272 VanDerWaalsContact O-N 3.09Å | ||
| 269 | D | 97.8 | Very high | 97.9 | Very high | 57 Ų | 57 | 66.7 Ų | 66.7 | 31% | 0.305 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -47.1 | -41.6 | 172.2 | -174 | 96.5 | 0 | 0 | 0 | 111.5 | R258 S262 V272 K273 | R258-D269 VanDerWaalsContact CD-CG 3.43Å; R258-D269 WeakPolarHBondContact CD-O 3.36Å; R258-D269 VanDerWaalsContact CD-OD1 3.27Å; R258-D269 WeakPolarHBondContact CD-OD1 3.42Å; R258-D269 VanDerWaalsContact CD-OD2 3.26Å; R258-D269 WeakPolarHBondContact CD-OD2 3.27Å; R258-D269 IonicContact NH1-OD1 3.45Å; R258-D269 IonicContact NH1-OD2 3.63Å; R258-D269 PolarHBondContact NH1-OD2 3.43Å; R258-D269 VanDerWaalsContact NH1-OD2 3.16Å; S262-D269 PolarHBondContact OG-N 3.35Å; D269-V272 PolarHBondContact O-N 2.87Å; D269-K273 WeakPolarHBondContact O-CB 3.48Å; D269-K273 PolarHBondContact O-N 3.18Å |
| 270 | R | 97.3 | Very high | 97.9 | Very high | 181 Ų | 181 | 67 Ų | 67 | 68% | 0.683 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.4 | -40.3 | 177 | -171.8 | 175.4 | -178.4 | -81.9 | -2.1 | 113 | T268 I274 | T268-R270 PolarHBondContact O-N 2.94Å; T268-R270 VanDerWaalsContact O-N 3.09Å; R270-I274 HydrophobicContact CG-CD1 3.89Å; R270-I274 WeakPolarHBondContact O-CB 3.48Å; R270-I274 WeakPolarHBondContact O-CD1 3.39Å; R270-I274 VanDerWaalsContact O-CG1 3.22Å; R270-I274 WeakPolarHBondContact O-CG1 3.4Å; R270-I274 PolarHBondContact O-N 2.87Å |
| 271 | Q | 97.6 | Very high | 97.8 | Very high | 65 Ų | 65 | 67.7 Ų | 67.7 | 30% | 0.304 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 175.2 | -80.6 | 163.3 | -64.2 | 0 | 0 | 111.5 | L267 T268 I274 W275 | L267-Q271 HydrophobicContact CB-CB 4.3Å; T268-Q271 WeakPolarHBondContact O-CA 3.35Å; T268-Q271 WeakPolarHBondContact O-CB 3.3Å; T268-Q271 PolarHBondContact O-N 2.84Å; T268-Q271 VanDerWaalsContact OG1-CG 3.32Å; T268-Q271 WeakPolarHBondContact OG1-CG 3.49Å; T268-Q271 PolarHBondContact OG1-N 3.35Å; T268-Q271 PolarHBondContact OG1-OE1 3.09Å; Q271-I274 PolarHBondContact O-N 3.06Å; Q271-W275 WeakPolarHBondContact O-CB 3.37Å; Q271-W275 PolarHBondContact O-N 2.94Å |
| 272 | V | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 175.6 | -176 | 0 | 0 | 0 | 0 | 110.3 | L243 I253 R258 L261 L267 T268 D269 I274 W275 F276 | L243-V272 HydrophobicContact CD2-CG1 3.96Å; I253-V272 HydrophobicContact CD1-CG1 4.11Å; R258-V272 HydrophobicContact CG-CB 3.81Å; R258-V272 HydrophobicContact CG-CG1 3.62Å; L261-V272 HydrophobicContact CB-CG1 4.31Å; L261-V272 HydrophobicContact CD1-CG1 4.34Å; L267-V272 HydrophobicContact CB-CG2 4.09Å; T268-V272 PolarHBondContact O-N 3.19Å; T268-V272 VanDerWaalsContact O-N 3.09Å; D269-V272 PolarHBondContact O-N 2.87Å; V272-I274 PolarHBondContact O-N 3.26Å; V272-W275 PolarHBondContact O-N 3.35Å; V272-F276 HydrophobicContact CG1-CD2 4.02Å; V272-F276 HydrophobicContact CG1-CE2 4.09Å; V272-F276 WeakPolarHBondContact O-CD2 3.37Å; V272-F276 PolarHBondContact O-N 3.02Å |
| 273 | K | 97.8 | Very high | 97.6 | Very high | 102 Ų | 102 | 76.1 Ų | 76.1 | 44% | 0.443 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.6 | -45.8 | 175.7 | -175.1 | 177.5 | 179 | 179.4 | 0 | 112.5 | D269 F276 Q277 | D269-K273 WeakPolarHBondContact O-CB 3.48Å; D269-K273 PolarHBondContact O-N 3.18Å; K273-F276 PolarHBondContact O-N 3.09Å; K273-Q277 WeakPolarHBondContact O-CG 3.5Å; K273-Q277 PolarHBondContact O-N 2.81Å; K273-Q277 VanDerWaalsContact O-N 3.11Å |
| 274 | I | 98.1 | Very high | 97.4 | Very high | 49 Ų | 49 | 74 Ų | 74 | 25% | 0.251 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 178 | -72.7 | 168.5 | 0 | 0 | 0 | 111 | R270 Q271 V272 Q277 N278 | R270-I274 HydrophobicContact CG-CD1 3.89Å; R270-I274 WeakPolarHBondContact O-CB 3.48Å; R270-I274 WeakPolarHBondContact O-CD1 3.39Å; R270-I274 VanDerWaalsContact O-CG1 3.22Å; R270-I274 WeakPolarHBondContact O-CG1 3.4Å; R270-I274 PolarHBondContact O-N 2.87Å; Q271-I274 PolarHBondContact O-N 3.06Å; V272-I274 PolarHBondContact O-N 3.26Å; I274-Q277 PolarHBondContact O-N 3.4Å; I274-N278 WeakPolarHBondContact O-CB 3.22Å; I274-N278 VanDerWaalsContact O-CG 3.27Å; I274-N278 PolarHBondContact O-N 3.08Å; I274-N278 PolarHBondContact O-ND2 2.91Å |
| 275 | W | 98.1 | Very high | 97.3 | Very high | 26 Ų | 26 | 76 Ų | 76 | 10% | 0.098 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61 | -46.8 | 176.3 | -171.9 | 101.6 | 0 | 0 | 0 | 111.2 | Y235 L243 E244 F247 Q271 V272 Q277 N278 R279 | Y235-W275 AromaticContact CD2-CD1 3.88Å; Y235-W275 AromaticContact CE2-CD1 3.75Å; L243-W275 VanDerWaalsContact C-CH2 3.46Å; L243-W275 HydrophobicContact CB-CD2 3.83Å; L243-W275 HydrophobicContact CB-CE3 3.84Å; L243-W275 HydrophobicContact CB-CH2 3.69Å; L243-W275 HydrophobicContact CB-CZ2 3.66Å; L243-W275 HydrophobicContact CB-CZ3 3.77Å; L243-W275 HydrophobicContact CD1-CB 4.45Å; L243-W275 HydrophobicContact CD1-CD2 3.89Å; L243-W275 HydrophobicContact CD1-CG 3.79Å; L243-W275 HydrophobicContact CD2-CD2 4.34Å; L243-W275 HydrophobicContact CD2-CE3 4.24Å; L243-W275 HydrophobicContact CG-CD2 4.24Å; L243-W275 HydrophobicContact CG-CE3 4.43Å; L243-W275 WeakPolarHBondContact O-CH2 3.42Å; L243-W275 WeakPolarHBondContact O-CZ3 3.45Å; E244-W275 HydrophobicContact CB-CH2 4.5Å; E244-W275 HydrophobicContact CG-CH2 3.78Å; E244-W275 HydrophobicContact CG-CZ2 3.73Å; F247-W275 HydrophobicContact CB-CH2 4.22Å; F247-W275 HydrophobicContact CB-CZ3 4.05Å; F247-W275 HydrophobicContact CD2-CZ3 4.28Å; F247-W275 HydrophobicContact CG-CZ3 4.39Å; Q271-W275 WeakPolarHBondContact O-CB 3.37Å; Q271-W275 PolarHBondContact O-N 2.94Å; V272-W275 PolarHBondContact O-N 3.35Å; W275-Q277 VanDerWaalsContact C-N 3.3Å; W275-Q277 PolarHBondContact O-N 3.09Å; W275-N278 PolarHBondContact O-N 3.34Å; W275-R279 HydrophobicContact CD2-CB 4.43Å; W275-R279 HydrophobicContact CE3-CB 3.97Å; W275-R279 HydrophobicContact CH2-CB 3.89Å; W275-R279 HydrophobicContact CH2-CG 3.6Å; W275-R279 HydrophobicContact CZ2-CB 4.37Å; W275-R279 HydrophobicContact CZ2-CG 4.3Å; W275-R279 HydrophobicContact CZ3-CB 3.68Å; W275-R279 HydrophobicContact CZ3-CG 3.74Å; W275-R279 WeakPolarHBondContact O-CB 3.32Å; W275-R279 PolarHBondContact O-N 2.96Å |
| 276 | F | 98.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 81.3 Ų | 81.3 | 2% | 0.022 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.9 | -28.9 | 176.1 | -89.5 | -98 | 0 | 0 | 0 | 113.6 | L243 E246 F247 I253 L261 V272 K273 R280 | L243-F276 HydrophobicContact CD2-CE2 4.04Å; E246-F276 HydrophobicContact CB-CZ 4.27Å; F247-F276 HydrophobicContact CB-CE1 4.19Å; F247-F276 HydrophobicContact CB-CZ 4.45Å; F247-F276 AromaticContact CD2-CD1 3.83Å; F247-F276 HydrophobicContact CD2-CD1 3.83Å; F247-F276 AromaticContact CD2-CE1 3.81Å; F247-F276 HydrophobicContact CD2-CE1 3.81Å; F247-F276 HydrophobicContact CE2-CD1 4.47Å; I253-F276 HydrophobicContact CB-CD1 3.92Å; I253-F276 HydrophobicContact CB-CD2 4.24Å; I253-F276 HydrophobicContact CB-CE1 3.79Å; I253-F276 HydrophobicContact CB-CE2 4.12Å; I253-F276 HydrophobicContact CB-CG 4.16Å; I253-F276 HydrophobicContact CB-CZ 3.9Å; I253-F276 HydrophobicContact CD1-CD2 4.32Å; I253-F276 HydrophobicContact CD1-CE2 3.66Å; I253-F276 HydrophobicContact CD1-CZ 3.79Å; I253-F276 HydrophobicContact CG1-CE2 4.48Å; I253-F276 HydrophobicContact CG1-CZ 4.33Å; I253-F276 HydrophobicContact CG2-CB 4.21Å; I253-F276 HydrophobicContact CG2-CD1 3.95Å; I253-F276 HydrophobicContact CG2-CD2 3.79Å; I253-F276 HydrophobicContact CG2-CE1 4.27Å; I253-F276 HydrophobicContact CG2-CE2 4.13Å; I253-F276 HydrophobicContact CG2-CG 3.7Å; I253-F276 HydrophobicContact CG2-CZ 4.37Å; L261-F276 HydrophobicContact CD1-CE2 4.21Å; V272-F276 HydrophobicContact CG1-CD2 4.02Å; V272-F276 HydrophobicContact CG1-CE2 4.09Å; V272-F276 WeakPolarHBondContact O-CD2 3.37Å; V272-F276 PolarHBondContact O-N 3.02Å; K273-F276 PolarHBondContact O-N 3.09Å; F276-R280 WeakPolarHBondContact O-CG 3.42Å; F276-R280 PolarHBondContact O-N 2.95Å; F276-R280 PolarHBondContact O-NE 3.12Å; F276-R280 VanDerWaalsContact O-NE 3.09Å |
| 277 | Q | 98.2 | Very high | 96.5 | Very high | 83 Ų | 83 | 78.6 Ų | 78.6 | 39% | 0.388 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.7 | -49.3 | 170.2 | -72.7 | 171.6 | -13.5 | 0 | 0 | 111 | K273 I274 W275 R279 R280 M281 | K273-Q277 WeakPolarHBondContact O-CG 3.5Å; K273-Q277 PolarHBondContact O-N 2.81Å; K273-Q277 VanDerWaalsContact O-N 3.11Å; I274-Q277 PolarHBondContact O-N 3.4Å; W275-Q277 VanDerWaalsContact C-N 3.3Å; W275-Q277 PolarHBondContact O-N 3.09Å; Q277-R279 VanDerWaalsContact C-N 3.35Å; Q277-R279 PolarHBondContact O-N 3.48Å; Q277-R280 PolarHBondContact O-N 3Å; Q277-M281 WeakPolarHBondContact O-CG 3.2Å; Q277-M281 PolarHBondContact O-N 3.09Å; Q277-M281 VanDerWaalsContact O-N 3.12Å |
| 278 | N | 97.9 | Very high | 96 | Very high | 102 Ų | 102 | 85 Ų | 85 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 179 | -68.6 | -17.6 | 0 | 0 | 0 | 112.3 | I274 W275 M281 K282 | I274-N278 WeakPolarHBondContact O-CB 3.22Å; I274-N278 VanDerWaalsContact O-CG 3.27Å; I274-N278 PolarHBondContact O-N 3.08Å; I274-N278 PolarHBondContact O-ND2 2.91Å; W275-N278 PolarHBondContact O-N 3.34Å; N278-M281 PolarHBondContact O-N 2.96Å; N278-K282 WeakPolarHBondContact O-CB 3.37Å; N278-K282 PolarHBondContact O-N 3.11Å |
| 279 | R | 97.9 | Very high | 95.4 | Very high | 37 Ų | 37 | 83.2 Ų | 83.2 | 14% | 0.14 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.9 | -39.6 | -179.5 | -177.7 | 60.2 | -174.4 | 70.5 | 4.4 | 112.5 | F247 W275 Q277 K282 E283 | F247-R279 HydrophobicContact CD1-CG 3.83Å; F247-R279 HydrophobicContact CD2-CB 4.14Å; F247-R279 HydrophobicContact CD2-CG 3.54Å; F247-R279 HydrophobicContact CE1-CG 3.9Å; F247-R279 HydrophobicContact CE2-CB 4.09Å; F247-R279 HydrophobicContact CE2-CG 3.61Å; F247-R279 HydrophobicContact CG-CG 3.66Å; F247-R279 HydrophobicContact CZ-CG 3.78Å; W275-R279 HydrophobicContact CD2-CB 4.43Å; W275-R279 HydrophobicContact CE3-CB 3.97Å; W275-R279 HydrophobicContact CH2-CB 3.89Å; W275-R279 HydrophobicContact CH2-CG 3.6Å; W275-R279 HydrophobicContact CZ2-CB 4.37Å; W275-R279 HydrophobicContact CZ2-CG 4.3Å; W275-R279 HydrophobicContact CZ3-CB 3.68Å; W275-R279 HydrophobicContact CZ3-CG 3.74Å; W275-R279 WeakPolarHBondContact O-CB 3.32Å; W275-R279 PolarHBondContact O-N 2.96Å; Q277-R279 VanDerWaalsContact C-N 3.35Å; Q277-R279 PolarHBondContact O-N 3.48Å; R279-K282 PolarHBondContact O-N 3.09Å; R279-E283 IonicContact CZ-OE1 3.45Å; R279-E283 IonicContact NH1-OE1 3.85Å; R279-E283 PolarHBondContact NH1-OE1 3.16Å; R279-E283 IonicContact NH2-OE1 2.65Å; R279-E283 PolarHBondContact NH2-OE1 3.03Å; R279-E283 PolarHBondContact O-N 3.17Å |
| 280 | R | 97.6 | Very high | 94.8 | Very high | 79 Ų | 79 | 89.6 Ų | 89.6 | 30% | 0.298 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 171.8 | -71.4 | -177.9 | -70.1 | 152 | -4 | 112.4 | F247 V251 F276 Q277 E283 K284 | F247-R280 HydrophobicContact CE2-CG 3.7Å; F247-R280 HydrophobicContact CZ-CG 4Å; V251-R280 HydrophobicContact CG1-CG 3.73Å; V251-R280 WeakPolarHBondContact O-CD 3.47Å; F276-R280 WeakPolarHBondContact O-CG 3.42Å; F276-R280 PolarHBondContact O-N 2.95Å; F276-R280 PolarHBondContact O-NE 3.12Å; F276-R280 VanDerWaalsContact O-NE 3.09Å; Q277-R280 PolarHBondContact O-N 3Å; R280-E283 WeakPolarHBondContact O-CB 3.47Å; R280-E283 PolarHBondContact O-N 3.37Å; R280-K284 PolarHBondContact O-N 2.97Å |
| 281 | M | 97.6 | Very high | 93.7 | Very high | 114 Ų | 114 | 86.3 Ų | 86.3 | 56% | 0.562 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -66 | -38.4 | 175.3 | -69.6 | -61.9 | -71.5 | 0 | 0 | 112.1 | Q277 N278 K285 | Q277-M281 WeakPolarHBondContact O-CG 3.2Å; Q277-M281 PolarHBondContact O-N 3.09Å; Q277-M281 VanDerWaalsContact O-N 3.12Å; N278-M281 PolarHBondContact O-N 2.96Å; M281-K285 WeakPolarHBondContact O-CB 3.14Å; M281-K285 PolarHBondContact O-N 3.26Å |
| 282 | K | 96 | Very high | 92.5 | Very high | 142 Ų | 142 | 88.9 Ų | 88.9 | 62% | 0.617 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.9 | -41.8 | 173.4 | -171.6 | -177.1 | 178.8 | -171.6 | 0 | 111.7 | N278 R279 K285 L286 | N278-K282 WeakPolarHBondContact O-CB 3.37Å; N278-K282 PolarHBondContact O-N 3.11Å; R279-K282 PolarHBondContact O-N 3.09Å; K282-K285 PolarHBondContact O-N 2.91Å; K282-L286 WeakPolarHBondContact O-CB 3.35Å; K282-L286 PolarHBondContact O-N 2.96Å |
| 283 | E | 95.2 | Very high | 90.7 | Very high | 57 Ų | 57 | 98.8 Ų | 98.8 | 27% | 0.266 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64 | -50.4 | 176.6 | -169.8 | 152.6 | -88.7 | 0 | 0 | 113 | F247 R279 R280 K285 L286 N287 | F247-E283 VanDerWaalsContact CE1-OE1 3.3Å; F247-E283 WeakPolarHBondContact CE1-OE1 3.44Å; F247-E283 WeakPolarHBondContact CZ-OE2 3.5Å; R279-E283 IonicContact CZ-OE1 3.45Å; R279-E283 IonicContact NH1-OE1 3.85Å; R279-E283 PolarHBondContact NH1-OE1 3.16Å; R279-E283 IonicContact NH2-OE1 2.65Å; R279-E283 PolarHBondContact NH2-OE1 3.03Å; R279-E283 PolarHBondContact O-N 3.17Å; R280-E283 WeakPolarHBondContact O-CB 3.47Å; R280-E283 PolarHBondContact O-N 3.37Å; E283-K285 PolarHBondContact O-N 3.42Å; E283-L286 PolarHBondContact O-N 3.22Å; E283-L286 VanDerWaalsContact O-N 3.1Å; E283-N287 PolarHBondContact O-N 3.18Å |
| 284 | K | 94.9 | Very high | 88.9 | Confident | 136 Ų | 136 | 103 Ų | 103 | 59% | 0.591 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -58 | -40.5 | 176.1 | -172.4 | 177 | 68.5 | 171.4 | 0 | 111.2 | R280 R288 | R280-K284 PolarHBondContact O-N 2.97Å; K284-R288 WeakPolarHBondContact O-CB 3.43Å; K284-R288 PolarHBondContact O-N 2.96Å |
| 285 | K | 93.7 | Very high | 87.2 | Confident | 121 Ų | 121 | 104.6 Ų | 104.6 | 53% | 0.526 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.7 | -48.3 | 174.1 | -178.5 | 174.3 | 177.3 | -178.2 | 0 | 111.3 | M281 K282 E283 N287 R288 D289 | M281-K285 WeakPolarHBondContact O-CB 3.14Å; M281-K285 PolarHBondContact O-N 3.26Å; K282-K285 PolarHBondContact O-N 2.91Å; E283-K285 PolarHBondContact O-N 3.42Å; K285-N287 VanDerWaalsContact C-N 3.34Å; K285-N287 PolarHBondContact O-N 3.32Å; K285-R288 PolarHBondContact O-N 2.8Å; K285-D289 WeakPolarHBondContact CE-OD2 3.41Å; K285-D289 VanDerWaalsContact CG-OD2 3.3Å; K285-D289 WeakPolarHBondContact CG-OD2 3.5Å; K285-D289 WeakPolarHBondContact O-CB 3.31Å; K285-D289 PolarHBondContact O-N 2.82Å |
| 286 | L | 91.1 | Very high | 85 | Confident | 116 Ų | 116 | 106.1 Ų | 106.1 | 61% | 0.607 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61 | -41.5 | 179.9 | -172.3 | 69.1 | 0 | 0 | 0 | 112.1 | K282 E283 D289 R290 | K282-L286 WeakPolarHBondContact O-CB 3.35Å; K282-L286 PolarHBondContact O-N 2.96Å; E283-L286 PolarHBondContact O-N 3.22Å; E283-L286 VanDerWaalsContact O-N 3.1Å; L286-D289 PolarHBondContact O-N 2.96Å; L286-R290 WeakPolarHBondContact O-CB 3.4Å; L286-R290 PolarHBondContact O-N 2.75Å |
| 287 | N | 88.8 | Confident | 82.5 | Confident | 89 Ų | 89 | 111.5 Ų | 111.5 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.2 | -43.1 | 176.7 | -72.8 | -15.9 | 0 | 0 | 0 | 111.9 | E283 K285 L291 | E283-N287 PolarHBondContact O-N 3.18Å; K285-N287 VanDerWaalsContact C-N 3.34Å; K285-N287 PolarHBondContact O-N 3.32Å; N287-L291 WeakPolarHBondContact O-CD1 3.4Å; N287-L291 WeakPolarHBondContact O-CG 3.45Å; N287-L291 PolarHBondContact O-N 2.95Å |
| 288 | R | 87 | Confident | 80.4 | Confident | 148 Ų | 148 | 112.6 Ų | 112.6 | 56% | 0.558 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60 | -50.4 | 173 | -176.9 | -159.8 | 69.8 | 161.6 | 6.1 | 111.2 | K284 K285 R290 L291 Q292 | K284-R288 WeakPolarHBondContact O-CB 3.43Å; K284-R288 PolarHBondContact O-N 2.96Å; K285-R288 PolarHBondContact O-N 2.8Å; R288-R290 VanDerWaalsContact C-N 3.34Å; R288-R290 PolarHBondContact O-N 2.98Å; R288-L291 WeakPolarHBondContact O-CB 3.43Å; R288-L291 PolarHBondContact O-N 3.31Å; R288-Q292 VanDerWaalsContact O-CG 3.31Å; R288-Q292 WeakPolarHBondContact O-CG 3.37Å; R288-Q292 PolarHBondContact O-N 3.31Å |
| 289 | D | 84.9 | Confident | 78.1 | Confident | 39 Ų | 39 | 115.3 Ų | 115.3 | 21% | 0.209 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -65.3 | -41.3 | -175.9 | -64.4 | -3.8 | 0 | 0 | 0 | 109.8 | K285 L286 L291 Q292 Y293 | K285-D289 WeakPolarHBondContact CE-OD2 3.41Å; K285-D289 VanDerWaalsContact CG-OD2 3.3Å; K285-D289 WeakPolarHBondContact CG-OD2 3.5Å; K285-D289 WeakPolarHBondContact O-CB 3.31Å; K285-D289 PolarHBondContact O-N 2.82Å; L286-D289 PolarHBondContact O-N 2.96Å; D289-L291 PolarHBondContact O-N 3.3Å; D289-Q292 PolarHBondContact O-N 3.1Å; D289-Y293 HydrophobicContact CB-CE2 4.37Å; D289-Y293 WeakPolarHBondContact O-CD2 3.34Å; D289-Y293 PolarHBondContact O-N 3.44Å |
| 290 | R | 84.2 | Confident | 75.6 | Confident | 190 Ų | 190 | 126.3 Ų | 126.3 | 72% | 0.717 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.7 | -39.3 | 173.2 | -174.2 | 179.2 | -178.1 | -167.9 | 0.6 | 113 | L286 R288 F294 | L286-R290 WeakPolarHBondContact O-CB 3.4Å; L286-R290 PolarHBondContact O-N 2.75Å; R288-R290 VanDerWaalsContact C-N 3.34Å; R288-R290 PolarHBondContact O-N 2.98Å; R290-F294 PolarHBondContact O-N 3.34Å |
| 291 | L | 75.3 | Confident | 74.5 | Confident | 113 Ų | 113 | 128.7 Ų | 128.7 | 59% | 0.592 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62 | -49.5 | 172 | -80 | 159.4 | 0 | 0 | 0 | 110.5 | N287 R288 D289 Y293 F294 T295 | N287-L291 WeakPolarHBondContact O-CD1 3.4Å; N287-L291 WeakPolarHBondContact O-CG 3.45Å; N287-L291 PolarHBondContact O-N 2.95Å; R288-L291 WeakPolarHBondContact O-CB 3.43Å; R288-L291 PolarHBondContact O-N 3.31Å; D289-L291 PolarHBondContact O-N 3.3Å; L291-Y293 VanDerWaalsContact C-N 3.33Å; L291-Y293 PolarHBondContact O-N 3.44Å; L291-F294 CarbonylContact O-C 3.32Å; L291-F294 WeakPolarHBondContact O-CA 3.26Å; L291-F294 PolarHBondContact O-N 3.26Å; L291-T295 WeakPolarHBondContact O-CG2 3.27Å; L291-T295 PolarHBondContact O-N 2.89Å |
| 292 | Q | 71.6 | Confident | 73.3 | Confident | 119 Ų | 119 | 129.5 Ų | 129.5 | 56% | 0.556 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -58.9 | -40 | 179.5 | -66.1 | -73.8 | -59.7 | 0 | 0 | 112.8 | R288 D289 F294 T295 | R288-Q292 VanDerWaalsContact O-CG 3.31Å; R288-Q292 WeakPolarHBondContact O-CG 3.37Å; R288-Q292 PolarHBondContact O-N 3.31Å; D289-Q292 PolarHBondContact O-N 3.1Å; Q292-F294 PolarHBondContact O-N 2.81Å; Q292-T295 PolarHBondContact O-N 3.19Å |
| 293 | Y | 60.9 | Low | 72.1 | Confident | 208 Ų | 208 | 128.8 Ų | 128.8 | 82% | 0.816 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.5 | -22.5 | 173.3 | -73.9 | -64 | 0 | 0 | 0 | 113.7 | D289 L291 | D289-Y293 HydrophobicContact CB-CE2 4.37Å; D289-Y293 WeakPolarHBondContact O-CD2 3.34Å; D289-Y293 PolarHBondContact O-N 3.44Å; L291-Y293 VanDerWaalsContact C-N 3.33Å; L291-Y293 PolarHBondContact O-N 3.44Å |
| 294 | F | 59 | Low | 70.7 | Confident | 191 Ų | 191 | 133 Ų | 133 | 84% | 0.838 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -94.2 | -24 | 177.9 | -158.9 | -95 | 0 | 0 | 0 | 113.1 | R290 L291 Q292 G296 | R290-F294 PolarHBondContact O-N 3.34Å; L291-F294 CarbonylContact O-C 3.32Å; L291-F294 WeakPolarHBondContact O-CA 3.26Å; L291-F294 PolarHBondContact O-N 3.26Å; Q292-F294 PolarHBondContact O-N 2.81Å; F294-G296 VanDerWaalsContact C-N 3.33Å; F294-G296 PolarHBondContact O-N 3.28Å |
| 295 | T | 62.1 | Low | 69.2 | Low | 82 Ų | 82 | 132.8 Ų | 132.8 | 50% | 0.503 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -84.3 | 1.3 | 179.8 | 69.7 | 0 | 0 | 0 | 0 | 114.9 | L291 Q292 N297 | L291-T295 WeakPolarHBondContact O-CG2 3.27Å; L291-T295 PolarHBondContact O-N 2.89Å; Q292-T295 PolarHBondContact O-N 3.19Å; T295-N297 PolarHBondContact O-N 3.3Å |
| 296 | G | 52.5 | Low | 67.5 | Low | 58 Ų | 58 | 133.6 Ų | 133.6 | 60% | 0.598 | 65% | 0.653 | S | S | * | * | trans | 64.7 | -6.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | F294 P298 | F294-G296 VanDerWaalsContact C-N 3.33Å; F294-G296 PolarHBondContact O-N 3.28Å; G296-P298 WeakPolarHBondContact O-CD 3.47Å | ||
| 297 | N | 46.4 | Very low | 65.9 | Low | 117 Ų | 117 | 134.9 Ų | 134.9 | 63% | 0.626 | 66% | 0.656 | S | S | * | * | trans | -107.6 | 94.9 | -176.2 | -89.1 | -0.3 | 0 | 0 | 0 | 112 | T295 L299 | T295-N297 PolarHBondContact O-N 3.3Å; N297-L299 VanDerWaalsContact C-N 3.33Å; N297-L299 PolarHBondContact O-N 3.27Å; N297-L299 VanDerWaalsContact O-N 3.08Å | ||
| 298 | P | 54.8 | Low | 64.1 | Low | 107 Ų | 107 | 138.4 Ų | 138.4 | 70% | 0.695 | 67% | 0.67 | S | S | * | * | trans | -70.6 | 94.4 | 155.6 | 31.2 | -30.6 | 0 | 0 | 0 | 107.9 | G296 F300 | G296-P298 WeakPolarHBondContact O-CD 3.47Å; P298-F300 VanDerWaalsContact C-N 3.28Å; P298-F300 PolarHBondContact O-N 3.16Å | ||
| 299 | L | 47.9 | Very low | 62.2 | Low | 158 Ų | 158 | 137.6 Ų | 137.6 | 83% | 0.827 | 68% | 0.68 | S | S | * | * | trans | -72.9 | 87.9 | 168.3 | -68.2 | 179.1 | 0 | 0 | 0 | 109.2 | N297 | N297-L299 VanDerWaalsContact C-N 3.33Å; N297-L299 PolarHBondContact O-N 3.27Å; N297-L299 VanDerWaalsContact O-N 3.08Å | ||
| 300 | F | 46.8 | Very low | 60.1 | Low | 269 Ų | 269 | 146.5 Ų | 146.5 | 100% | 1.18 | 72% | 0.722 | S | S | * | * | trans | -111.4 | 0 | 155 | -80.8 | -73 | 0 | 0 | 0 | 108.2 | P298 | P298-F300 VanDerWaalsContact C-N 3.28Å; P298-F300 PolarHBondContact O-N 3.16Å |
Retrieved 300 of 300 residues in 987.9 ms
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