| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.9 | Very low | 45.5 | Very low | 250 Ų | 250 | 148.6 Ų | 148.6 | 100% | 1.232 | 82% | 0.82 | S | S | * | * | 0 | 149.8 | 0 | -73.9 | 172.3 | 158.5 | 0 | 0 | 108.4 | |||||
| 2 | S | 38.1 | Very low | 45.7 | Very low | 116 Ų | 116 | 146.8 Ų | 146.8 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | -104.6 | 170.5 | -178.1 | -40.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 3 | I | 39.5 | Very low | 45.3 | Very low | 164 Ų | 164 | 145 Ų | 145 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | cis | -137.8 | 178.6 | 11.6 | 41.5 | 166.3 | 0 | 0 | 0 | 110.4 | ||||
| 4 | S | 49.9 | Very low | 45 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -53.2 | 156.9 | 163 | -49 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 5 | G | 41 | Very low | 45.1 | Very low | 79 Ų | 79 | 140.7 Ų | 140.7 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | trans | -149.3 | 91 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 6 | T | 50.5 | Low | 44.9 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | -89.5 | 123.1 | 161.6 | 49.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 7 | L | 53.4 | Low | 44.4 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -131.4 | 120 | 167.5 | -83.2 | 171.1 | 0 | 0 | 0 | 110.5 | ||||
| 8 | S | 41.4 | Very low | 44.2 | Very low | 73 Ų | 73 | 141.3 Ų | 141.3 | 51% | 0.51 | 79% | 0.786 | S | S | . | * | trans | -99.3 | 144.3 | 170.9 | 79.6 | 0 | 0 | 0 | 0 | 109.8 | Y10 | S8-Y10 WeakPolarHBondContact O-CE1 3.38Å; S8-Y10 PolarHBondContact O-OH 3.38Å | ||
| 9 | N | 46.1 | Very low | 43.6 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | 70.2 | 173.2 | 155.4 | -61.9 | -56.2 | 0 | 0 | 0 | 118.5 | ||||
| 10 | Y | 48.1 | Very low | 43.3 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | trans | 61 | 85.7 | 164.7 | 44.8 | -100.8 | 0 | 0 | 0 | 119.3 | S8 | S8-Y10 WeakPolarHBondContact O-CE1 3.38Å; S8-Y10 PolarHBondContact O-OH 3.38Å | ||
| 11 | Y | 50.8 | Low | 43 | Very low | 222 Ų | 222 | 142 Ų | 142 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | -149.1 | 119.3 | 108.8 | -133 | -95.4 | 0 | 0 | 0 | 111.3 | |||||
| 12 | V | 47.8 | Very low | 42.8 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | -104 | 154.4 | 161.3 | 169.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 13 | D | 40.2 | Very low | 43.3 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | trans | 99.1 | 154.6 | 159.5 | -136.9 | -76.4 | 0 | 0 | 0 | 118.8 | ||||
| 14 | S | 41.4 | Very low | 43.2 | Very low | 83 Ų | 83 | 136.6 Ų | 136.6 | 58% | 0.58 | 77% | 0.765 | S | S | * | * | trans | 77.7 | 84.8 | 164.2 | -66.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 15 | I | 45.8 | Very low | 42.5 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | 84.5 | 151 | 76.2 | 72.3 | -165.5 | 0 | 0 | 0 | 114.4 | |||||
| 16 | I | 42.7 | Very low | 42.4 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | 80.8 | 103.4 | 173.2 | -59.7 | 161.3 | 0 | 0 | 0 | 116.1 | ||||
| 17 | S | 36.8 | Very low | 42.1 | Very low | 127 Ų | 127 | 141.9 Ų | 141.9 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | -138.7 | 123.7 | 129 | -72.7 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 18 | H | 39.5 | Very low | 41.2 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 73% | 0.731 | 77% | 0.768 | S | S | * | * | trans | -93.5 | 162.8 | -173.8 | -159.5 | -108.1 | 0 | 0 | 0 | 110 | ||||
| 19 | E | 34.4 | Very low | 40.9 | Very low | 143 Ų | 143 | 145 Ų | 145 | 67% | 0.668 | 78% | 0.78 | S | S | * | * | trans | 73.2 | 102.7 | 152 | -133.7 | 162.7 | 106.2 | 0 | 0 | 119.7 | E21 | E19-E21 HydrophobicContact CG-CG 4.19Š| ||
| 20 | S | 37.6 | Very low | 40.4 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | -147.7 | 123.9 | 129.2 | 57.2 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 21 | E | 36.5 | Very low | 39.8 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -105.1 | 130.7 | -169.3 | -44.4 | -170.3 | 118.4 | 0 | 0 | 110.8 | E19 | E19-E21 HydrophobicContact CG-CG 4.19Š| ||
| 22 | D | 38.4 | Very low | 39.2 | Very low | 158 Ų | 158 | 139 Ų | 139 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | -160.5 | 125.4 | 156.6 | -135.4 | -37.9 | 0 | 0 | 0 | 111 | ||||
| 23 | P | 47.6 | Very low | 38.5 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -101.6 | 115.1 | -170.2 | 35.4 | -30.5 | 0 | 0 | 0 | 113.8 | ||||
| 24 | T | 36.5 | Very low | 38.4 | Very low | 143 Ų | 143 | 143.9 Ų | 143.9 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -133.3 | 135.7 | 156.2 | 53.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 25 | S | 36.9 | Very low | 38.1 | Very low | 129 Ų | 129 | 147.5 Ų | 147.5 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -65.3 | 133.4 | -172 | -60.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 26 | A | 37.7 | Very low | 37.7 | Very low | 100 Ų | 100 | 146.6 Ų | 146.6 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | -155.4 | 136.8 | 136 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 27 | R | 44 | Very low | 37.4 | Very low | 216 Ų | 216 | 150.2 Ų | 150.2 | 82% | 0.815 | 81% | 0.812 | S | S | * | * | trans | -66 | 144.9 | 172.6 | -59.4 | 164.4 | -180 | 135.4 | -1 | 109.5 | ||||
| 28 | F | 36.1 | Very low | 37.8 | Very low | 194 Ų | 194 | 152.4 Ų | 152.4 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | -174.3 | 163.9 | 95 | -92.3 | -66.4 | 0 | 0 | 0 | 111.8 | |||||
| 29 | S | 34.3 | Very low | 38.3 | Very low | 107 Ų | 107 | 150 Ų | 150 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -92.5 | 140.2 | -153.2 | 44.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 30 | N | 34.9 | Very low | 38.4 | Very low | 125 Ų | 125 | 147.2 Ų | 147.2 | 67% | 0.668 | 82% | 0.816 | S | S | * | * | trans | -51.7 | 140 | 163.9 | -179.1 | 22.1 | 0 | 0 | 0 | 113.2 | ||||
| 31 | V | 36.5 | Very low | 38.4 | Very low | 127 Ų | 127 | 145 Ų | 145 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | -135.1 | 114.9 | 155 | 177.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 32 | Q | 37.8 | Very low | 38.9 | Very low | 158 Ų | 158 | 147 Ų | 147 | 74% | 0.738 | 82% | 0.821 | S | S | * | * | trans | -82.7 | 145.2 | 173.4 | -66.3 | 179.9 | -30.2 | 0 | 0 | 110.7 | ||||
| 33 | Y | 32.3 | Very low | 39 | Very low | 234 Ų | 234 | 142.6 Ų | 142.6 | 92% | 0.918 | 81% | 0.814 | S | S | * | * | trans | -86 | 112.2 | 162.5 | -79.8 | -89.9 | 0 | 0 | 0 | 109.8 | ||||
| 34 | S | 38.3 | Very low | 38.7 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -99.9 | 135 | 163 | 55.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 35 | N | 36.3 | Very low | 39 | Very low | 160 Ų | 160 | 146.6 Ų | 146.6 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -112.5 | 115.3 | -175 | -172 | 35.2 | 0 | 0 | 0 | 109.1 | ||||
| 36 | S | 35.6 | Very low | 39.6 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -137.6 | 134.7 | 177 | -82.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 37 | R | 38.1 | Very low | 40 | Very low | 225 Ų | 225 | 148.8 Ų | 148.8 | 85% | 0.849 | 80% | 0.799 | S | S | * | * | trans | -128.6 | 108.5 | -170.2 | 175 | -165 | -117.8 | -122 | 0.7 | 110.6 | ||||
| 38 | Q | 43.4 | Very low | 40.3 | Very low | 173 Ų | 173 | 146.5 Ų | 146.5 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | -162.3 | 167.4 | 156.3 | -96.9 | -31.3 | -90.4 | 0 | 0 | 110.1 | ||||
| 39 | P | 51 | Low | 41.2 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | -125.4 | 165.4 | -137.6 | 41.3 | -27.3 | 0 | 0 | 0 | 115.6 | ||||
| 40 | G | 37 | Very low | 42.3 | Very low | 85 Ų | 85 | 143.3 Ų | 143.3 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | trans | 89.9 | 140.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 41 | G | 36.8 | Very low | 43.3 | Very low | 77 Ų | 77 | 143.2 Ų | 143.2 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | 131.2 | 118.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 42 | H | 47.1 | Very low | 44.4 | Very low | 212 Ų | 212 | 141.8 Ų | 141.8 | 98% | 0.981 | 80% | 0.798 | S | S | * | * | trans | -37.8 | 136.2 | 172.5 | -99.9 | -112.7 | 0 | 0 | 0 | 115.1 | ||||
| 43 | G | 41.5 | Very low | 45.4 | Very low | 66 Ų | 66 | 143.7 Ų | 143.7 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | trans | -178.1 | 113.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 44 | E | 40.6 | Very low | 47 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | 12.8 | 105.6 | 148.4 | -53 | -71 | 76.4 | 0 | 0 | 115.9 | P46 | E44-P46 WeakPolarHBondContact O-CD 3.28Š| ||
| 45 | H | 42.6 | Very low | 48.2 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 73% | 0.731 | 79% | 0.793 | S | S | * | * | trans | -71.6 | 112.5 | 178.8 | 174.6 | -78.8 | 0 | 0 | 0 | 111.3 | E47 | H45-E47 PolarHBondContact O-N 3.49Š| ||
| 46 | P | 50.6 | Low | 49.9 | Very low | 92 Ų | 92 | 141.5 Ų | 141.5 | 60% | 0.597 | 79% | 0.791 | S | S | * | * | trans | -71.1 | 124.6 | 172.3 | 30.2 | -32.6 | 0 | 0 | 0 | 109.5 | E44 F48 | E44-P46 WeakPolarHBondContact O-CD 3.28Å; P46-F48 PolarHBondContact O-N 3.12Å | ||
| 47 | E | 45.9 | Very low | 51.3 | Low | 182 Ų | 182 | 140.9 Ų | 140.9 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -62.2 | 102.4 | 172.8 | -81.8 | 174.3 | 90.7 | 0 | 0 | 110.8 | H45 | H45-E47 PolarHBondContact O-N 3.49Š| ||
| 48 | F | 49.4 | Very low | 52.9 | Low | 169 Ų | 169 | 135.3 Ų | 135.3 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | trans | -62.1 | 131.4 | 157.7 | -68.3 | -85.7 | 0 | 0 | 0 | 108.2 | P46 S50 | P46-F48 PolarHBondContact O-N 3.12Å; F48-S50 PolarHBondContact O-N 3.27Å | ||
| 49 | P | 55.2 | Low | 54.2 | Low | 118 Ų | 118 | 133.5 Ų | 133.5 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | trans | -65 | 107.9 | -177.3 | 25.5 | -33.6 | 0 | 0 | 0 | 109.9 | C51 | P49-C51 PolarHBondContact O-N 3.16Š| ||
| 50 | S | 57.7 | Low | 55 | Low | 115 Ų | 115 | 136.4 Ų | 136.4 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -54.3 | 123.9 | 172.6 | -173.5 | 0 | 0 | 0 | 0 | 109 | F48 S52 | F48-S50 PolarHBondContact O-N 3.27Å; S50-S52 PolarHBondContact O-N 2.99Å | ||
| 51 | C | 55.2 | Low | 56.1 | Low | 124 Ų | 124 | 137.9 Ų | 137.9 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -70 | 78.2 | -176.7 | -72 | 0 | 0 | 0 | 0 | 111.6 | P49 F53 | P49-C51 PolarHBondContact O-N 3.16Å; C51-F53 VanDerWaalsContact C-N 3.27Å; C51-F53 PolarHBondContact O-N 3.38Å | ||
| 52 | S | 59.5 | Low | 56.7 | Low | 97 Ų | 97 | 138.9 Ų | 138.9 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | -66.2 | 85 | 168 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | S50 Q54 | S50-S52 PolarHBondContact O-N 2.99Å; S52-Q54 VanDerWaalsContact C-N 3.27Å; S52-Q54 PolarHBondContact O-N 3.18Å | ||
| 53 | F | 58.8 | Low | 57.2 | Low | 198 Ų | 198 | 133.3 Ų | 133.3 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | trans | -74.4 | 84.9 | 171.5 | -146.7 | -85.3 | 0 | 0 | 0 | 108.4 | C51 | C51-F53 VanDerWaalsContact C-N 3.27Å; C51-F53 PolarHBondContact O-N 3.38Å | ||
| 54 | Q | 65.6 | Low | 58.1 | Low | 152 Ų | 152 | 141.8 Ų | 141.8 | 71% | 0.71 | 77% | 0.768 | S | S | * | * | trans | -59.4 | 126.3 | 177.5 | -74.3 | -158.9 | -28.7 | 0 | 0 | 109.9 | S52 K56 | S52-Q54 VanDerWaalsContact C-N 3.27Å; S52-Q54 PolarHBondContact O-N 3.18Å; Q54-K56 PolarHBondContact O-N 2.95Å | ||
| 55 | P | 64.3 | Low | 58.8 | Low | 123 Ų | 123 | 137.2 Ų | 137.2 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | trans | -67.6 | 110.2 | 177.3 | 26.8 | -32.5 | 0 | 0 | 0 | 109 | ||||
| 56 | K | 71.6 | Confident | 59.4 | Low | 189 Ų | 189 | 135.3 Ų | 135.3 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 136.4 | 171.6 | -66.5 | 179.5 | 180 | 177.6 | 0 | 108.8 | Q54 | Q54-K56 PolarHBondContact O-N 2.95Š|
| 57 | P | 66.3 | Low | 59.4 | Low | 110 Ų | 110 | 140.9 Ų | 140.9 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 139.4 | 176.6 | 25.8 | -33.8 | 0 | 0 | 0 | 109.9 | V59 | P57-V59 PolarHBondContact O-N 3.42Š|
| 58 | P | 71.5 | Confident | 59.4 | Low | 107 Ų | 107 | 137.7 Ų | 137.7 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 123 | -179.9 | 27.3 | -33.8 | 0 | 0 | 0 | 109.9 | F60 | P58-F60 PolarHBondContact O-N 3.32Š|
| 59 | V | 71.1 | Confident | 59.5 | Low | 136 Ų | 136 | 135.6 Ų | 135.6 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -66.3 | -15.8 | 179.4 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | P57 | P57-V59 PolarHBondContact O-N 3.42Š|
| 60 | F | 66.3 | Low | 59 | Low | 168 Ų | 168 | 138.2 Ų | 138.2 | 74% | 0.737 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -120.6 | 125.2 | 172.9 | -68.2 | -81.7 | 0 | 0 | 0 | 110.4 | P58 S62 | P58-F60 PolarHBondContact O-N 3.32Å; F60-S62 PolarHBondContact O-N 3.16Å |
| 61 | S | 60.5 | Low | 58.1 | Low | 116 Ų | 116 | 137.9 Ų | 137.9 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -65.2 | 91.2 | 172.8 | -55.6 | 0 | 0 | 0 | 0 | 110.5 | S63 | S61-S63 PolarHBondContact O-N 3.38Š| ||
| 62 | S | 49.9 | Very low | 58 | Low | 98 Ų | 98 | 136 Ų | 136 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | trans | -74 | 65.6 | 174.1 | -66.8 | 0 | 0 | 0 | 0 | 111.3 | F60 W64 | F60-S62 PolarHBondContact O-N 3.16Å; S62-W64 PolarHBondContact O-N 3.4Å | ||
| 63 | S | 57.5 | Low | 57.2 | Low | 96 Ų | 96 | 139.4 Ų | 139.4 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | trans | -77.2 | 70.6 | 177.4 | 64 | 0 | 0 | 0 | 0 | 111.5 | S61 S65 | S61-S63 PolarHBondContact O-N 3.38Å; S63-S65 PolarHBondContact O-N 3.27Å; S63-S65 VanDerWaalsContact O-N 3.17Å | ||
| 64 | W | 59.6 | Low | 56.6 | Low | 243 Ų | 243 | 133.3 Ų | 133.3 | 92% | 0.92 | 77% | 0.772 | S | S | * | * | trans | -83.8 | 56.2 | 160 | -67.2 | 91.5 | 0 | 0 | 0 | 109.7 | S62 P66 | S62-W64 PolarHBondContact O-N 3.4Å; W64-P66 WeakPolarHBondContact O-CD 3.38Å | ||
| 65 | S | 56.3 | Low | 55.9 | Low | 91 Ų | 91 | 134.3 Ų | 134.3 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | trans | -80.4 | 117.3 | 170.8 | -62.5 | 0 | 0 | 0 | 0 | 108.4 | S63 F67 | S63-S65 PolarHBondContact O-N 3.27Å; S63-S65 VanDerWaalsContact O-N 3.17Å; S65-F67 PolarHBondContact O-N 2.97Å | ||
| 66 | P | 54.5 | Low | 55.1 | Low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | -63.2 | 134.7 | 166.3 | 28.1 | -32.3 | 0 | 0 | 0 | 108.3 | W64 S68 | W64-P66 WeakPolarHBondContact O-CD 3.38Å; P66-S68 PolarHBondContact O-N 3.33Å | ||
| 67 | F | 49.8 | Very low | 54.3 | Low | 210 Ų | 210 | 129.8 Ų | 129.8 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -61.8 | 110.7 | 179.6 | -67.3 | -87.4 | 0 | 0 | 0 | 110.3 | S65 P69 | S65-F67 PolarHBondContact O-N 2.97Å; F67-P69 WeakPolarHBondContact O-CD 3.24Å | ||
| 68 | S | 47.7 | Very low | 53.4 | Low | 115 Ų | 115 | 130.9 Ų | 130.9 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -64.3 | 125.5 | 168.7 | -71.7 | 0 | 0 | 0 | 0 | 109.9 | P66 H70 | P66-S68 PolarHBondContact O-N 3.33Å; S68-H70 PolarHBondContact O-N 3.38Å | ||
| 69 | P | 50.9 | Low | 52.2 | Low | 124 Ų | 124 | 134.6 Ų | 134.6 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | trans | -75.3 | 116.8 | 173.8 | 30 | -31.7 | 0 | 0 | 0 | 110 | F67 | F67-P69 WeakPolarHBondContact O-CD 3.24Š| ||
| 70 | H | 43.9 | Very low | 51.2 | Low | 174 Ų | 174 | 137 Ų | 137 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | 54 | 89.5 | 151.2 | -125.9 | -82 | 0 | 0 | 0 | 118.1 | S68 | S68-H70 PolarHBondContact O-N 3.38Š| ||
| 71 | A | 40.3 | Very low | 50.2 | Low | 107 Ų | 107 | 133.1 Ų | 133.1 | 88% | 0.884 | 78% | 0.779 | S | S | * | * | trans | -99.2 | 107.5 | 150.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 72 | S | 51.5 | Low | 49.3 | Very low | 85 Ų | 85 | 137.7 Ų | 137.7 | 59% | 0.594 | 78% | 0.78 | S | S | * | * | trans | -76.5 | 126.9 | 173 | 50 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 73 | N | 43.2 | Very low | 49.1 | Very low | 169 Ų | 169 | 141 Ų | 141 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | trans | 172.5 | 135.6 | 136 | -86.4 | -15.4 | 0 | 0 | 0 | 111.5 | ||||
| 74 | G | 45.9 | Very low | 48.5 | Very low | 69 Ų | 69 | 141 Ų | 141 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | 117 | 45.2 | 143.6 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 75 | L | 51.3 | Low | 47.9 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | 66.1 | 168.7 | 149.8 | -54 | 177.5 | 0 | 0 | 0 | 119.6 | ||||
| 76 | P | 47.7 | Very low | 47.5 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | cis | -118 | 172.8 | -32.3 | 32.2 | -15.8 | 0 | 0 | 0 | 112.9 | ||||
| 77 | A | 54 | Low | 47.1 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -71.2 | 138.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 78 | V | 47.5 | Very low | 47.4 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | trans | -125.1 | 101.1 | 159.9 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 79 | Y | 46.6 | Very low | 47.4 | Very low | 185 Ų | 185 | 135.2 Ų | 135.2 | 73% | 0.725 | 78% | 0.776 | S | S | * | * | trans | 34.8 | 105.3 | 148.9 | -158 | -93.6 | 0 | 0 | 0 | 119.9 | P81 | Y79-P81 HydrophobicContact CE1-CG 4.06Š| ||
| 80 | H | 50.3 | Low | 47.3 | Very low | 186 Ų | 186 | 133.8 Ų | 133.8 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -136.7 | 128 | 145.4 | -81.8 | -68.9 | 0 | 0 | 0 | 110.5 | ||||
| 81 | P | 46 | Very low | 47.8 | Very low | 86 Ų | 86 | 130.6 Ų | 130.6 | 56% | 0.558 | 76% | 0.762 | S | S | * | * | trans | -88.2 | 143.9 | -177.1 | 34.3 | -33.4 | 0 | 0 | 0 | 112.5 | Y79 | Y79-P81 HydrophobicContact CE1-CG 4.06Š| ||
| 82 | Y | 40.1 | Very low | 48.3 | Very low | 213 Ų | 213 | 131.7 Ų | 131.7 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | trans | 53.3 | 100.7 | 158.1 | -143.4 | -94.8 | 0 | 0 | 0 | 117.8 | P84 | Y82-P84 HydrophobicContact CD1-CG 4.33Å; Y82-P84 WeakPolarHBondContact O-CD 3.35Å | ||
| 83 | I | 45.8 | Very low | 48.2 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 116.7 | 163.5 | -63.8 | 178.8 | 0 | 0 | 0 | 108.8 | ||
| 84 | P | 45.3 | Very low | 48.9 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 62% | 0.623 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 157.9 | 168.7 | -16.3 | 31.9 | 0 | 0 | 0 | 112.3 | Y82 | Y82-P84 HydrophobicContact CD1-CG 4.33Å; Y82-P84 WeakPolarHBondContact O-CD 3.35Å |
| 85 | T | 47.6 | Very low | 49.5 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 83% | 0.828 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 142.5 | -176 | 47.9 | 0 | 0 | 0 | 0 | 115.7 | ||
| 86 | Q | 47.3 | Very low | 50 | Low | 175 Ų | 175 | 135.6 Ų | 135.6 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -42.3 | 137.3 | 165.9 | -71.1 | -85.1 | 4.2 | 0 | 0 | 114.4 | ||||
| 87 | P | 46.8 | Very low | 50.4 | Low | 110 Ų | 110 | 139.1 Ų | 139.1 | 71% | 0.714 | 73% | 0.726 | S | S | * | * | trans | -106.5 | 136.3 | 147.9 | 33.6 | -25.1 | 0 | 0 | 0 | 111.4 | ||||
| 88 | V | 56.5 | Low | 50.4 | Low | 129 Ų | 129 | 138.8 Ų | 138.8 | 78% | 0.782 | 71% | 0.713 | S | S | * | * | trans | -47 | 132 | 177.7 | -179.3 | 0 | 0 | 0 | 0 | 112.4 | S90 | V88-S90 PolarHBondContact O-N 3.2Š| ||
| 89 | P | 46.5 | Very low | 51.1 | Low | 106 Ų | 106 | 142.2 Ų | 142.2 | 69% | 0.688 | 71% | 0.712 | S | S | * | * | trans | -71.4 | 115.6 | 172.4 | 28.4 | -32.7 | 0 | 0 | 0 | 110.8 | ||||
| 90 | S | 49.9 | Very low | 51.8 | Low | 95 Ų | 95 | 140.2 Ų | 140.2 | 66% | 0.664 | 71% | 0.713 | S | S | * | * | trans | -57 | 152.1 | 174.4 | -60.3 | 0 | 0 | 0 | 0 | 112.8 | V88 D92 T93 | V88-S90 PolarHBondContact O-N 3.2Å; S90-D92 PolarHBondContact O-N 3.15Å; S90-T93 PolarHBondContact O-OG1 2.85Å | ||
| 91 | T | 52.9 | Low | 52 | Low | 107 Ų | 107 | 137.2 Ų | 137.2 | 66% | 0.656 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -57.8 | -9.2 | -169.4 | -25.7 | 0 | 0 | 0 | 0 | 116.5 | ||
| 92 | D | 50.9 | Low | 51.8 | Low | 129 Ų | 129 | 139.7 Ų | 139.7 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -84.6 | -22 | -167.7 | -149.6 | 18.1 | 0 | 0 | 0 | 113.6 | S90 R94 | S90-D92 PolarHBondContact O-N 3.15Å; D92-R94 PolarHBondContact O-N 3.44Å |
| 93 | T | 51 | Low | 52.1 | Low | 89 Ų | 89 | 133 Ų | 133 | 55% | 0.546 | 71% | 0.71 | S | S | . | * | G | 310 helix | trans | -69.8 | -3.6 | 179.8 | 42 | 0 | 0 | 0 | 0 | 115 | S90 Y95 | S90-T93 PolarHBondContact O-OG1 2.85Å; T93-Y95 VanDerWaalsContact C-N 3.31Å; T93-Y95 PolarHBondContact O-N 3.34Å |
| 94 | R | 57.3 | Low | 52.1 | Low | 185 Ų | 185 | 131.2 Ų | 131.2 | 70% | 0.698 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -68.4 | -24.8 | 178.8 | -73.9 | -163.4 | -73.4 | -151.8 | 3.1 | 113.9 | D92 T98 | D92-R94 PolarHBondContact O-N 3.44Å; R94-T98 PolarHBondContact O-OG1 3.14Å |
| 95 | Y | 58 | Low | 52.2 | Low | 184 Ų | 184 | 138.6 Ų | 138.6 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -24.1 | -179.3 | -75.6 | -76.6 | 0 | 0 | 0 | 114.7 | T93 R97 | T93-Y95 VanDerWaalsContact C-N 3.31Å; T93-Y95 PolarHBondContact O-N 3.34Å; Y95-R97 PolarHBondContact O-N 3.26Å |
| 96 | I | 61 | Low | 52 | Low | 120 Ų | 120 | 137 Ų | 137 | 62% | 0.615 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -5.6 | -176.2 | -51.5 | -64 | 0 | 0 | 0 | 112.6 | W99 | I96-W99 PolarHBondContact O-NE1 2.61Š|
| 97 | R | 56.8 | Low | 51.4 | Low | 192 Ų | 192 | 136.8 Ų | 136.8 | 73% | 0.725 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -118.5 | -6.6 | -176.3 | -66.7 | -175.9 | 177.6 | -119.9 | 0.7 | 114.9 | Y95 W99 L100 | Y95-R97 PolarHBondContact O-N 3.26Å; R97-W99 PolarHBondContact O-N 3.37Å; R97-W99 VanDerWaalsContact O-N 3.16Å; R97-L100 PolarHBondContact O-N 3.01Å |
| 98 | T | 55.1 | Low | 50.9 | Low | 93 Ų | 93 | 136 Ų | 136 | 57% | 0.571 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -63.6 | -22 | -173.3 | -49.9 | 0 | 0 | 0 | 0 | 114.5 | R94 L100 | R94-T98 PolarHBondContact O-OG1 3.14Å; T98-L100 VanDerWaalsContact C-N 3.28Å; T98-L100 PolarHBondContact O-N 3.05Å |
| 99 | W | 60.5 | Low | 50.2 | Low | 205 Ų | 205 | 137.8 Ų | 137.8 | 78% | 0.777 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -77.7 | -4.2 | 178.3 | 52.3 | 31.2 | 0 | 0 | 0 | 115.3 | I96 R97 | I96-W99 PolarHBondContact O-NE1 2.61Å; R97-W99 PolarHBondContact O-N 3.37Å; R97-W99 VanDerWaalsContact O-N 3.16Å |
| 100 | L | 62.1 | Low | 50.1 | Low | 143 Ų | 143 | 138.8 Ų | 138.8 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -97.8 | -10.9 | -178.4 | -86.7 | 160.5 | 0 | 0 | 0 | 113.1 | R97 T98 | R97-L100 PolarHBondContact O-N 3.01Å; T98-L100 VanDerWaalsContact C-N 3.28Å; T98-L100 PolarHBondContact O-N 3.05Å |
| 101 | D | 54.8 | Low | 49.3 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | trans | -112.1 | 104.1 | -179.2 | -158.1 | -89.5 | 0 | 0 | 0 | 110.9 | ||||
| 102 | C | 40.9 | Very low | 48.9 | Very low | 137 Ų | 137 | 142.3 Ų | 142.3 | 93% | 0.926 | 74% | 0.743 | S | S | * | * | trans | -120.3 | 81.2 | 168.1 | -86.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 103 | A | 47.8 | Very low | 48.2 | Very low | 72 Ų | 72 | 139.7 Ų | 139.7 | 60% | 0.595 | 75% | 0.747 | S | S | * | * | trans | -124.3 | 152.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 104 | P | 45.8 | Very low | 47.8 | Very low | 130 Ų | 130 | 145.3 Ų | 145.3 | 84% | 0.844 | 77% | 0.767 | S | S | * | * | trans | -89.1 | 174.3 | -161.6 | 35.7 | -37.1 | 0 | 0 | 0 | 115.5 | ||||
| 105 | R | 47.5 | Very low | 47 | Very low | 250 Ų | 250 | 142.9 Ų | 142.9 | 94% | 0.943 | 77% | 0.772 | S | S | * | * | trans | -77.1 | 114 | -166.9 | -177.5 | -172.5 | -165.1 | -119.1 | 6.7 | 115.6 | ||||
| 106 | S | 42.9 | Very low | 46 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -165.9 | 139.9 | 154.2 | 36.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 107 | E | 33.6 | Very low | 45 | Very low | 170 Ų | 170 | 145.1 Ų | 145.1 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | cis | -164.3 | 169.9 | 30.8 | -128.1 | 175.2 | 100.1 | 0 | 0 | 112 | ||||
| 108 | S | 37.3 | Very low | 44.2 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | trans | 49.1 | 116.9 | 142.6 | -55.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 109 | L | 42.1 | Very low | 43.5 | Very low | 165 Ų | 165 | 142.8 Ų | 142.8 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -60.7 | 155 | 157.9 | -116.8 | 83.8 | 0 | 0 | 0 | 111.8 | ||||
| 110 | P | 44.8 | Very low | 42.6 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | -146 | 168.2 | 94.4 | 39.3 | -25 | 0 | 0 | 0 | 115 | |||||
| 111 | G | 33.1 | Very low | 41.4 | Very low | 69 Ų | 69 | 140.3 Ų | 140.3 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 117.3 | 87.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 112 | Q | 42.9 | Very low | 40.5 | Very low | 207 Ų | 207 | 138 Ų | 138 | 97% | 0.967 | 79% | 0.794 | S | S | * | * | trans | 11.5 | 122.5 | 153.2 | -59.6 | -170.9 | -54.2 | 0 | 0 | 120.8 | ||||
| 113 | G | 36.9 | Very low | 40.4 | Very low | 74 Ų | 74 | 139.2 Ų | 139.2 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | -162.7 | 104.5 | 155.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | V115 | G113-V115 PolarHBondContact O-N 3.29Š| ||
| 114 | Q | 42.2 | Very low | 39.8 | Very low | 206 Ų | 206 | 143.1 Ų | 143.1 | 96% | 0.963 | 80% | 0.796 | S | S | * | * | trans | -71.6 | 117.6 | 174.8 | -75.5 | -173.4 | -63.4 | 0 | 0 | 110.2 | ||||
| 115 | V | 40.3 | Very low | 39.2 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -130.2 | 98.6 | 157.5 | -164.5 | 0 | 0 | 0 | 0 | 108.2 | G113 M117 | G113-V115 PolarHBondContact O-N 3.29Å; V115-M117 PolarHBondContact O-N 2.72Å; V115-M117 VanDerWaalsContact O-N 3.14Å | ||
| 116 | K | 37.5 | Very low | 38.7 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 74% | 0.735 | 79% | 0.79 | S | S | * | * | trans | -72.5 | 97.5 | 174.7 | -179.7 | -165.8 | 176.9 | -159.1 | 0 | 108.6 | E118 | K116-E118 WeakPolarHBondContact CE-OE2 3.18Å; K116-E118 IonicContact NZ-OE2 3.35Å; K116-E118 PolarHBondContact NZ-OE2 2.75Å | ||
| 117 | M | 40.7 | Very low | 38.9 | Very low | 182 Ų | 182 | 137.2 Ų | 137.2 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -93.2 | 95.3 | 164.2 | 63.7 | -175.4 | -134.9 | 0 | 0 | 109.7 | V115 | V115-M117 PolarHBondContact O-N 2.72Å; V115-M117 VanDerWaalsContact O-N 3.14Å | ||
| 118 | E | 39.3 | Very low | 39.3 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 53% | 0.533 | 79% | 0.789 | S | S | . | * | trans | -80 | 124.1 | 176.7 | -178.2 | 178.5 | 107.9 | 0 | 0 | 109.9 | K116 L120 | K116-E118 WeakPolarHBondContact CE-OE2 3.18Å; K116-E118 IonicContact NZ-OE2 3.35Å; K116-E118 PolarHBondContact NZ-OE2 2.75Å; E118-L120 PolarHBondContact O-N 2.7Å | ||
| 119 | P | 39.7 | Very low | 39.5 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | -79.9 | 100.5 | 167.2 | 31.2 | -28.8 | 0 | 0 | 0 | 108.2 | L121 | P119-L121 PolarHBondContact O-N 3.13Š| ||
| 120 | L | 41.5 | Very low | 39.1 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | -70.4 | 104.1 | -177.5 | -144.1 | -174.6 | 0 | 0 | 0 | 110.4 | E118 G122 | E118-L120 PolarHBondContact O-N 2.7Å; L120-G122 PolarHBondContact O-N 2.69Å; L120-G122 VanDerWaalsContact O-N 3.16Å | ||
| 121 | L | 37.3 | Very low | 38.5 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -71.3 | 97.6 | 173.6 | -175.3 | 73.2 | 0 | 0 | 0 | 109.8 | P119 | P119-L121 PolarHBondContact O-N 3.13Š| ||
| 122 | G | 35.7 | Very low | 38.5 | Very low | 75 Ų | 75 | 137.3 Ų | 137.3 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -74.4 | 123.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | L120 | L120-G122 PolarHBondContact O-N 2.69Å; L120-G122 VanDerWaalsContact O-N 3.16Å | ||
| 123 | H | 40.3 | Very low | 38.4 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -119 | 139.2 | -178.3 | -171.5 | 49 | 0 | 0 | 0 | 112.3 | ||||
| 124 | L | 35.1 | Very low | 38.4 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | 67.4 | 121.7 | 158.1 | -138.2 | 76.4 | 0 | 0 | 0 | 120 | ||||
| 125 | G | 32.7 | Very low | 38.1 | Very low | 78 Ų | 78 | 141.3 Ų | 141.3 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -163.7 | 121.5 | 163 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 126 | E | 37.1 | Very low | 38.2 | Very low | 184 Ų | 184 | 141.5 Ų | 141.5 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 166.6 | -172 | -109.8 | -155.5 | 102.7 | 0 | 0 | 114.8 | ||
| 127 | P | 47.8 | Very low | 38 | Very low | 96 Ų | 96 | 141 Ų | 141 | 62% | 0.623 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 148.3 | -177.1 | 37.2 | -32.6 | 0 | 0 | 0 | 114 | ||
| 128 | P | 40.2 | Very low | 37.8 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 141.7 | 159.1 | -7.2 | 26 | 0 | 0 | 0 | 111.5 | ||
| 129 | K | 42.4 | Very low | 37.6 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -105.3 | 162.7 | 174.2 | -68.1 | -178.7 | 176.2 | 175.4 | 0 | 111.8 | ||||
| 130 | I | 33.3 | Very low | 37.4 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | trans | 80.6 | 137.2 | 154 | -64.2 | 140.9 | 0 | 0 | 0 | 117.7 | ||||
| 131 | G | 31.7 | Very low | 36.9 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 113.1 | 84.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 132 | G | 34.4 | Very low | 36.8 | Very low | 72 Ų | 72 | 134.6 Ų | 134.6 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | cis | 98.3 | 77.3 | 31.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 133 | H | 39.5 | Very low | 37.2 | Very low | 191 Ų | 191 | 141.6 Ų | 141.6 | 88% | 0.884 | 79% | 0.788 | S | S | * | * | trans | -147.6 | 129.5 | 158.1 | -130.2 | -77.2 | 0 | 0 | 0 | 111.6 | ||||
| 134 | E | 37.2 | Very low | 37 | Very low | 158 Ų | 158 | 142.9 Ų | 142.9 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | -89.2 | 135.7 | -178.4 | -172.9 | -177.1 | 153.4 | 0 | 0 | 109.4 | ||||
| 135 | Y | 36.5 | Very low | 37.1 | Very low | 223 Ų | 223 | 144.5 Ų | 144.5 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | trans | -149.8 | 120.9 | 144.8 | 66.3 | -88.1 | 0 | 0 | 0 | 110.2 | ||||
| 136 | I | 42.2 | Very low | 37.2 | Very low | 138 Ų | 138 | 147.8 Ų | 147.8 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | trans | -99.3 | 127.3 | 170.8 | -68.5 | 164.6 | 0 | 0 | 0 | 106.9 | ||||
| 137 | L | 34 | Very low | 36.9 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -155.3 | 140.9 | 142.3 | -159.7 | 60.1 | 0 | 0 | 0 | 111.6 | ||||
| 138 | E | 35.2 | Very low | 36.4 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -75.5 | 153.1 | -172.8 | -56 | 162.6 | 91.4 | 0 | 0 | 113.9 | ||||
| 139 | S | 35.4 | Very low | 36.4 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | -163.6 | 147.5 | 120.8 | -110.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 140 | S | 36.8 | Very low | 36 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -101 | 148.4 | -167.1 | -55.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 141 | S | 31 | Very low | 36.2 | Very low | 84 Ų | 84 | 139.2 Ų | 139.2 | 59% | 0.587 | 79% | 0.793 | S | S | * | * | trans | -167.8 | 95.4 | 132.2 | -171.2 | 0 | 0 | 0 | 0 | 110.5 | R143 | S141-R143 PolarHBondContact OG-NE 2.86Š| ||
| 142 | A | 35.4 | Very low | 36.7 | Very low | 96 Ų | 96 | 139 Ų | 139 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | -66.9 | 139 | 156.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 143 | R | 42.7 | Very low | 37 | Very low | 223 Ų | 223 | 143.8 Ų | 143.8 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | -144.1 | 87.2 | 164.3 | -63.2 | -170.8 | -171.1 | -143.9 | -1.4 | 108.5 | S141 | S141-R143 PolarHBondContact OG-NE 2.86Š| ||
| 144 | E | 36.4 | Very low | 37.3 | Very low | 190 Ų | 190 | 143 Ų | 143 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | -68.4 | 136.3 | 164.1 | -61.7 | -170.6 | 107.2 | 0 | 0 | 109 | ||||
| 145 | M | 38.2 | Very low | 37.7 | Very low | 187 Ų | 187 | 141.8 Ų | 141.8 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | -135.2 | 84.2 | 161.8 | -166.1 | 85 | 89.5 | 0 | 0 | 108.5 | ||||
| 146 | N | 33.7 | Very low | 38.2 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -70.6 | 124.8 | 160.2 | 169.5 | 35.4 | 0 | 0 | 0 | 109 | ||||
| 147 | S | 31.7 | Very low | 38.6 | Very low | 97 Ų | 97 | 139.1 Ų | 139.1 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -174.6 | 112.2 | 135.9 | -160.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 148 | S | 35.9 | Very low | 39.4 | Very low | 87 Ų | 87 | 138.5 Ų | 138.5 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | 61.1 | 126.8 | 127.5 | -43.9 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 149 | Q | 41.7 | Very low | 40.3 | Very low | 199 Ų | 199 | 138.2 Ų | 138.2 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | trans | 67.6 | 106.3 | 138.5 | -74.7 | 178.5 | -37.5 | 0 | 0 | 121.2 | ||||
| 150 | G | 32.8 | Very low | 41 | Very low | 75 Ų | 75 | 135.5 Ų | 135.5 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | -155.7 | 80.5 | 147.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 151 | S | 38.4 | Very low | 41.3 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | 67.6 | 90.1 | 91.2 | -176 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 152 | G | 42.7 | Very low | 42 | Very low | 71 Ų | 71 | 141.6 Ų | 141.6 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | 47.6 | 103 | 143.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 153 | F | 39.1 | Very low | 42.4 | Very low | 172 Ų | 172 | 141.7 Ų | 141.7 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -143.1 | 81.3 | 142.6 | -166.9 | -101.6 | 0 | 0 | 0 | 109.2 | N156 | F153-N156 HydrophobicContact CE1-CB 4.24Å; F153-N156 HydrophobicContact CZ-CB 4.21Å; F153-N156 VanDerWaalsContact CZ-ND2 3.28Å; F153-N156 WeakPolarHBondContact CZ-ND2 3Å | ||
| 154 | E | 47.1 | Very low | 42.8 | Very low | 175 Ų | 175 | 140.5 Ų | 140.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -69.4 | 154.7 | 170.9 | -66.9 | 178.6 | 109.2 | 0 | 0 | 110.7 | ||||
| 155 | D | 44 | Very low | 43.1 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -8.5 | 114.7 | 179.2 | -76.6 | -113 | 0 | 0 | 0 | 118.6 | K157 | D155-K157 HydrophobicContact CB-CB 4.21Å; D155-K157 WeakPolarHBondContact OD1-CB 3.37Å | ||
| 156 | N | 47.6 | Very low | 44 | Very low | 135 Ų | 135 | 139 Ų | 139 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | -105.9 | 64.7 | 147 | -89.6 | -118.3 | 0 | 0 | 0 | 108.9 | F153 D158 | F153-N156 HydrophobicContact CE1-CB 4.24Å; F153-N156 HydrophobicContact CZ-CB 4.21Å; F153-N156 VanDerWaalsContact CZ-ND2 3.28Å; F153-N156 WeakPolarHBondContact CZ-ND2 3Å; N156-D158 VanDerWaalsContact C-N 3.27Å; N156-D158 PolarHBondContact O-N 3.46Å | ||
| 157 | K | 51.7 | Low | 44.7 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | -92.9 | 39.8 | 179.4 | -167.8 | -138.8 | 170.4 | -173.9 | 0 | 112 | D155 | D155-K157 HydrophobicContact CB-CB 4.21Å; D155-K157 WeakPolarHBondContact OD1-CB 3.37Å | ||
| 158 | D | 49.6 | Very low | 45.8 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | -142.7 | 91.8 | 177.1 | -97 | -62.5 | 0 | 0 | 0 | 111.2 | N156 | N156-D158 VanDerWaalsContact C-N 3.27Å; N156-D158 PolarHBondContact O-N 3.46Å | ||
| 159 | I | 54.3 | Low | 46.8 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -154.8 | 115.8 | 153.6 | -109.7 | 157.2 | 0 | 0 | 0 | 108.7 | ||
| 160 | C | 51.1 | Low | 47.4 | Very low | 74 Ų | 74 | 136.8 Ų | 136.8 | 50% | 0.5 | 77% | 0.772 | S | S | . | * | trans | 78.8 | 48.7 | 173.6 | -52.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 161 | E | 43.1 | Very low | 48.8 | Very low | 196 Ų | 196 | 142.2 Ų | 142.2 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | -81.2 | 131.3 | 127.2 | -70.6 | -139.1 | 118 | 0 | 0 | 108.2 | |||||
| 162 | V | 44.5 | Very low | 49.8 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -127.4 | 124.7 | 171.9 | 158.6 | 0 | 0 | 0 | 0 | 105.1 | E164 | V162-E164 PolarHBondContact O-N 2.65Š| ||
| 163 | S | 44.7 | Very low | 50.8 | Low | 99 Ų | 99 | 143.7 Ų | 143.7 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | trans | -52.1 | 135 | 179.5 | -48.7 | 0 | 0 | 0 | 0 | 111.8 | D165 | S163-D165 PolarHBondContact O-N 3.35Å; S163-D165 VanDerWaalsContact O-N 3.12Å | ||
| 164 | E | 50.3 | Low | 51.9 | Low | 197 Ų | 197 | 140.5 Ų | 140.5 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | trans | -80.4 | 82 | 171.9 | -66.3 | -178.1 | 106.6 | 0 | 0 | 110.1 | V162 | V162-E164 PolarHBondContact O-N 2.65Š| ||
| 165 | D | 42.5 | Very low | 52.6 | Low | 151 Ų | 151 | 135.9 Ų | 135.9 | 81% | 0.807 | 74% | 0.742 | S | S | * | * | trans | -87.7 | 125 | 165.1 | -82.7 | -65.4 | 0 | 0 | 0 | 110.5 | S163 | S163-D165 PolarHBondContact O-N 3.35Å; S163-D165 VanDerWaalsContact O-N 3.12Å | ||
| 166 | K | 58.3 | Low | 53.2 | Low | 195 Ų | 195 | 130.7 Ų | 130.7 | 85% | 0.848 | 72% | 0.717 | S | S | * | * | trans | -67.8 | 135.6 | 179.6 | -66.5 | 172.6 | 174.6 | 175.6 | 0 | 110.5 | ||||
| 167 | D | 48.4 | Very low | 53.7 | Low | 163 Ų | 163 | 129.4 Ų | 129.4 | 87% | 0.872 | 71% | 0.71 | S | S | * | * | -162.5 | 137.1 | 124.3 | -101.8 | -38.6 | 0 | 0 | 0 | 110.6 | |||||
| 168 | G | 54.6 | Low | 54.2 | Low | 77 Ų | 77 | 131 Ų | 131 | 79% | 0.794 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -102 | 120.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 169 | P | 56.1 | Low | 54.8 | Low | 106 Ų | 106 | 130.4 Ų | 130.4 | 69% | 0.688 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -90 | 148.3 | 171.7 | 33.5 | -30.8 | 0 | 0 | 0 | 112.5 | ||
| 170 | D | 55.3 | Low | 55.2 | Low | 139 Ų | 139 | 128.6 Ų | 128.6 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 138.6 | -175.4 | -166.6 | -16.8 | 0 | 0 | 0 | 113.9 | N172 | D170-N172 PolarHBondContact O-N 2.43Å; D170-N172 PolarHBondContact OD1-ND2 3.25Å; D170-N172 VanDerWaalsContact OD1-ND2 3.07Å |
| 171 | Q | 61.8 | Low | 55.6 | Low | 188 Ų | 188 | 126.8 Ų | 126.8 | 88% | 0.879 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -93 | 46.6 | -173.2 | -64.8 | -172.3 | -2 | 0 | 0 | 113.6 | ||
| 172 | N | 59.3 | Low | 56.4 | Low | 141 Ų | 141 | 127.4 Ų | 127.4 | 75% | 0.754 | 68% | 0.68 | S | S | * | * | trans | -135.1 | 22.6 | -175.4 | -75.1 | -74.1 | 0 | 0 | 0 | 117 | D170 | D170-N172 PolarHBondContact O-N 2.43Å; D170-N172 PolarHBondContact OD1-ND2 3.25Å; D170-N172 VanDerWaalsContact OD1-ND2 3.07Å | ||
| 173 | D | 64.4 | Low | 57.3 | Low | 84 Ų | 84 | 126.1 Ų | 126.1 | 45% | 0.449 | 68% | 0.677 | S | S | . | * | trans | -124.7 | 113.5 | 166.5 | 179.9 | 15.8 | 0 | 0 | 0 | 112.6 | S175 A176 | D173-S175 PolarHBondContact O-N 3.28Å; D173-S175 WeakPolarHBondContact OD1-CA 3.14Å; D173-S175 WeakPolarHBondContact OD1-CB 3.34Å; D173-S175 PolarHBondContact OD1-N 3.4Å; D173-S175 PolarHBondContact OD1-OG 3.11Å; D173-A176 HydrophobicContact CB-CB 3.96Å; D173-A176 WeakPolarHBondContact OD2-CB 3.38Å; D173-A176 PolarHBondContact OD2-N 2.93Å; D173-A176 VanDerWaalsContact OD2-N 3.13Å | ||
| 174 | P | 62.3 | Low | 58.5 | Low | 105 Ų | 105 | 126.3 Ų | 126.3 | 68% | 0.682 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -17.8 | 175.8 | 29.1 | -35.5 | 0 | 0 | 0 | 113.7 | ||
| 175 | S | 59.9 | Low | 59.8 | Low | 77 Ų | 77 | 125.5 Ų | 125.5 | 54% | 0.538 | 67% | 0.667 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.4 | -44.3 | 179.9 | -34.7 | 0 | 0 | 0 | 0 | 111.1 | D173 N177 W178 | D173-S175 PolarHBondContact O-N 3.28Å; D173-S175 WeakPolarHBondContact OD1-CA 3.14Å; D173-S175 WeakPolarHBondContact OD1-CB 3.34Å; D173-S175 PolarHBondContact OD1-N 3.4Å; D173-S175 PolarHBondContact OD1-OG 3.11Å; S175-N177 PolarHBondContact O-N 3.03Å; S175-N177 VanDerWaalsContact O-N 3.16Å; S175-W178 PolarHBondContact O-N 3.5Å; S175-W178 VanDerWaalsContact O-N 3.09Å |
| 176 | A | 57.4 | Low | 61.6 | Low | 23 Ų | 23 | 127 Ų | 127 | 19% | 0.19 | 67% | 0.666 | C | S | . | * | H | α-helix | trans | -53.5 | -33.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D173 W178 L179 H180 | D173-A176 HydrophobicContact CB-CB 3.96Å; D173-A176 WeakPolarHBondContact OD2-CB 3.38Å; D173-A176 PolarHBondContact OD2-N 2.93Å; D173-A176 VanDerWaalsContact OD2-N 3.13Å; A176-W178 VanDerWaalsContact C-N 3.26Å; A176-W178 PolarHBondContact O-N 3.42Å; A176-L179 PolarHBondContact O-N 3.17Å; A176-L179 VanDerWaalsContact O-N 3.13Å; A176-H180 WeakPolarHBondContact O-CB 3.22Å; A176-H180 PolarHBondContact O-CD2 3.04Å; A176-H180 PolarHBondContact O-N 3.3Å |
| 177 | N | 58.8 | Low | 63 | Low | 108 Ų | 108 | 126.5 Ų | 126.5 | 58% | 0.578 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -56.1 | -34.5 | 177.4 | -169 | 26.4 | 0 | 0 | 0 | 113.3 | S175 A181 | S175-N177 PolarHBondContact O-N 3.03Å; S175-N177 VanDerWaalsContact O-N 3.16Å; N177-A181 WeakPolarHBondContact O-CA 3.11Å; N177-A181 WeakPolarHBondContact O-CB 3.36Å; N177-A181 PolarHBondContact O-N 3.22Å |
| 178 | W | 61.7 | Low | 65 | Low | 206 Ų | 206 | 129.7 Ų | 129.7 | 78% | 0.78 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -73.7 | -32.7 | 178.9 | -72.4 | 86.8 | 0 | 0 | 0 | 113.4 | S175 A176 | S175-W178 PolarHBondContact O-N 3.5Å; S175-W178 VanDerWaalsContact O-N 3.09Å; A176-W178 VanDerWaalsContact C-N 3.26Å; A176-W178 PolarHBondContact O-N 3.42Å |
| 179 | L | 62.9 | Low | 66.8 | Low | 133 Ų | 133 | 129.2 Ų | 129.2 | 70% | 0.696 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -77 | -43.5 | 175.8 | -61.8 | 175.2 | 0 | 0 | 0 | 110.3 | A176 R182 | A176-L179 PolarHBondContact O-N 3.17Å; A176-L179 VanDerWaalsContact O-N 3.13Å; L179-R182 PolarHBondContact O-N 3.29Å |
| 180 | H | 61 | Low | 68.7 | Low | 111 Ų | 111 | 130 Ų | 130 | 51% | 0.514 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -75.3 | -26 | 178.5 | -61.5 | -53.2 | 0 | 0 | 0 | 114.1 | A176 R182 S183 S184 | A176-H180 WeakPolarHBondContact O-CB 3.22Å; A176-H180 PolarHBondContact O-CD2 3.04Å; A176-H180 PolarHBondContact O-N 3.3Å; H180-R182 PolarHBondContact O-N 3.11Å; H180-R182 VanDerWaalsContact O-N 3.16Å; H180-S183 CarbonylContact O-C 3.58Å; H180-S183 WeakPolarHBondContact O-CA 3.35Å; H180-S183 WeakPolarHBondContact O-CB 3.32Å; H180-S183 PolarHBondContact O-N 3.11Å; H180-S184 PolarHBondContact O-N 3.39Å |
| 181 | A | 59.3 | Low | 70.8 | Confident | 37 Ų | 37 | 126.4 Ų | 126.4 | 31% | 0.306 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -66 | -13.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114 | N177 | N177-A181 WeakPolarHBondContact O-CA 3.11Å; N177-A181 WeakPolarHBondContact O-CB 3.36Å; N177-A181 PolarHBondContact O-N 3.22Å |
| 182 | R | 60.3 | Low | 72.5 | Confident | 209 Ų | 209 | 121.1 Ų | 121.1 | 79% | 0.789 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -83.2 | -28.2 | 167 | -56 | -174.5 | 94.4 | -179.6 | 7.4 | 111.8 | L179 H180 | L179-R182 PolarHBondContact O-N 3.29Å; H180-R182 PolarHBondContact O-N 3.11Å; H180-R182 VanDerWaalsContact O-N 3.16Å |
| 183 | S | 64.5 | Low | 74.4 | Confident | 99 Ų | 99 | 123.2 Ų | 123.2 | 69% | 0.692 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -83.2 | -43.2 | -179.2 | -160.8 | 0 | 0 | 0 | 0 | 113 | H180 R185 | H180-S183 CarbonylContact O-C 3.58Å; H180-S183 WeakPolarHBondContact O-CA 3.35Å; H180-S183 WeakPolarHBondContact O-CB 3.32Å; H180-S183 PolarHBondContact O-N 3.11Å; S183-R185 PolarHBondContact O-N 3.05Å; S183-R185 VanDerWaalsContact O-N 3.09Å |
| 184 | S | 69.5 | Low | 76 | Confident | 104 Ų | 104 | 125.6 Ų | 125.6 | 73% | 0.727 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -69.1 | -7.4 | 178.8 | 70.4 | 0 | 0 | 0 | 0 | 114.2 | H180 K186 | H180-S184 PolarHBondContact O-N 3.39Å; S184-K186 PolarHBondContact O-N 2.93Å |
| 185 | R | 76.7 | Confident | 77.7 | Confident | 180 Ų | 180 | 121.9 Ų | 121.9 | 68% | 0.679 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -78.5 | 112.5 | 176.9 | -171.2 | 176.8 | -59.7 | 177.4 | 2.7 | 110 | S183 K187 | S183-R185 PolarHBondContact O-N 3.05Å; S183-R185 VanDerWaalsContact O-N 3.09Å; R185-K187 PolarHBondContact O-N 2.89Å; R185-K187 VanDerWaalsContact O-N 3.16Å |
| 186 | K | 81.6 | Confident | 79.6 | Confident | 183 Ų | 183 | 120.5 Ų | 120.5 | 80% | 0.796 | 58% | 0.577 | S | S | * | * | trans | -28.5 | 116.4 | 171.3 | -168.5 | 81.9 | 164 | -179.8 | 0 | 111.5 | S184 R188 | S184-K186 PolarHBondContact O-N 2.93Å; K186-R188 PolarHBondContact O-N 2.95Å | ||
| 187 | K | 86.6 | Confident | 81.5 | Confident | 183 Ų | 183 | 124.6 Ų | 124.6 | 80% | 0.796 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 132.5 | -179.9 | -176.1 | 179.6 | 178.8 | -178.2 | 0 | 109.9 | R185 C189 | R185-K187 PolarHBondContact O-N 2.89Å; R185-K187 VanDerWaalsContact O-N 3.16Å; K187-C189 PolarHBondContact O-N 2.99Å |
| 188 | R | 91.1 | Very high | 83.4 | Confident | 230 Ų | 230 | 121.6 Ų | 121.6 | 87% | 0.868 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 120.7 | 178.1 | -74.9 | -176 | 171 | 179 | -2.7 | 109.8 | K186 | K186-R188 PolarHBondContact O-N 2.95Š|
| 189 | C | 92.8 | Very high | 85.2 | Confident | 68 Ų | 68 | 111.8 Ų | 111.8 | 46% | 0.459 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -91.6 | 123.4 | 166.4 | -57.4 | 0 | 0 | 0 | 0 | 107.9 | K187 | K187-C189 PolarHBondContact O-N 2.99Š|
| 190 | P | 96.4 | Very high | 86.9 | Confident | 121 Ų | 121 | 108.7 Ų | 108.7 | 79% | 0.786 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 150.2 | 171.3 | 30.1 | -33.7 | 0 | 0 | 0 | 109.9 | ||
| 191 | Y | 98.3 | Very high | 88.7 | Confident | 65 Ų | 65 | 108.7 Ų | 108.7 | 26% | 0.255 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 150.2 | 173.1 | -59.5 | -17.7 | 0 | 0 | 0 | 110.2 | L199 L223 Q227 W231 | Y191-L199 HydrophobicContact CD2-CD1 3.93Å; Y191-L199 HydrophobicContact CE2-CD1 4.11Å; Y191-L223 HydrophobicContact CD1-CD2 4.21Å; Y191-L223 HydrophobicContact CE1-CD2 4.06Å; Y191-L223 HydrophobicContact CE2-CD1 4.42Å; Y191-Q227 WeakPolarHBondContact OH-CB 3.39Å; Y191-W231 AromaticContact CD2-CD1 3.83Å; Y191-W231 HydrophobicContact CE2-CB 4.14Å; Y191-W231 AromaticContact CE2-CD1 3.56Å; Y191-W231 HydrophobicContact CE2-CG 4.13Å |
| 192 | T | 98.6 | Very high | 90.6 | Very high | 76 Ų | 76 | 107.6 Ų | 107.6 | 47% | 0.466 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -68 | 165.3 | 177 | 73.2 | 0 | 0 | 0 | 0 | 111.1 | Y194 Q195 T196 | T192-Y194 VanDerWaalsContact C-N 3.31Å; T192-Y194 PolarHBondContact O-N 3.39Å; T192-Q195 PolarHBondContact O-N 3.26Å; T192-Q195 WeakPolarHBondContact OG1-CG 3.37Å; T192-Q195 PolarHBondContact OG1-N 3.24Å; T192-Q195 VanDerWaalsContact OG1-N 3.15Å; T192-T196 PolarHBondContact O-N 3.16Å; T192-T196 PolarHBondContact O-OG1 3.34Å |
| 193 | K | 98.3 | Very high | 92.4 | Very high | 185 Ų | 185 | 97.9 Ų | 97.9 | 80% | 0.804 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -57.7 | -45.6 | 173.9 | -65.9 | -175.5 | -179.5 | 178.9 | 0 | 111 | T196 L197 | K193-T196 PolarHBondContact O-N 3.38Å; K193-L197 WeakPolarHBondContact O-CG 3.36Å; K193-L197 PolarHBondContact O-N 3.09Å |
| 194 | Y | 98.4 | Very high | 94 | Very high | 134 Ų | 134 | 100 Ų | 100 | 53% | 0.525 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.1 | -50.5 | 176.9 | 174.7 | -106.6 | 0 | 0 | 0 | 112.5 | T192 T196 L197 E198 L221 | T192-Y194 VanDerWaalsContact C-N 3.31Å; T192-Y194 PolarHBondContact O-N 3.39Å; Y194-T196 VanDerWaalsContact C-N 3.26Å; Y194-T196 PolarHBondContact O-N 2.71Å; Y194-L197 PolarHBondContact O-N 3.17Å; Y194-E198 HydrophobicContact CD2-CG 4.25Å; Y194-E198 HydrophobicContact CE1-CG 4.44Å; Y194-E198 HydrophobicContact CE2-CG 3.7Å; Y194-E198 PolarHBondContact O-N 2.89Å; Y194-L221 HydrophobicContact CD1-CD2 4.29Å; Y194-L221 HydrophobicContact CE1-CD2 3.7Å |
| 195 | Q | 98.6 | Very high | 95.4 | Very high | 28 Ų | 28 | 102.8 Ų | 102.8 | 13% | 0.131 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -57 | -41 | 176.3 | -73.4 | 173.6 | -29 | 0 | 0 | 111.8 | T192 L199 L221 | T192-Q195 PolarHBondContact O-N 3.26Å; T192-Q195 WeakPolarHBondContact OG1-CG 3.37Å; T192-Q195 PolarHBondContact OG1-N 3.24Å; T192-Q195 VanDerWaalsContact OG1-N 3.15Å; Q195-L199 WeakPolarHBondContact O-CB 3.39Å; Q195-L199 WeakPolarHBondContact O-CD1 3.38Å; Q195-L199 WeakPolarHBondContact O-CG 3.33Å; Q195-L199 PolarHBondContact O-N 3.08Å; Q195-L199 VanDerWaalsContact O-N 3.11Å; Q195-L221 HydrophobicContact CG-CB 4.29Å; Q195-L221 PolarHBondContact NE2-O 3.41Å |
| 196 | T | 98.6 | Very high | 96.4 | Very high | 47 Ų | 47 | 97.5 Ų | 97.5 | 29% | 0.288 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.9 | -44.4 | 179.2 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | T192 K193 Y194 L199 E200 | T192-T196 PolarHBondContact O-N 3.16Å; T192-T196 PolarHBondContact O-OG1 3.34Å; K193-T196 PolarHBondContact O-N 3.38Å; Y194-T196 VanDerWaalsContact C-N 3.26Å; Y194-T196 PolarHBondContact O-N 2.71Å; T196-L199 PolarHBondContact O-N 3.31Å; T196-E200 WeakPolarHBondContact O-CG 3.38Å; T196-E200 PolarHBondContact O-N 2.88Å |
| 197 | L | 98.6 | Very high | 97.1 | Very high | 110 Ų | 110 | 91.7 Ų | 91.7 | 58% | 0.576 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.8 | -46.4 | 179.8 | -72.6 | 171.3 | 0 | 0 | 0 | 112.4 | K193 Y194 L199 E200 K201 | K193-L197 WeakPolarHBondContact O-CG 3.36Å; K193-L197 PolarHBondContact O-N 3.09Å; Y194-L197 PolarHBondContact O-N 3.17Å; L197-L199 PolarHBondContact O-N 3.07Å; L197-E200 PolarHBondContact O-N 3.36Å; L197-K201 WeakPolarHBondContact O-CB 3.39Å; L197-K201 PolarHBondContact O-N 2.93Å |
| 198 | E | 98.6 | Very high | 97.7 | Very high | 44 Ų | 44 | 89.9 Ų | 89.9 | 21% | 0.206 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67 | -37 | 178.2 | -72.5 | -65.3 | 120.6 | 0 | 0 | 111.8 | Y194 E200 K201 E202 L221 | Y194-E198 HydrophobicContact CD2-CG 4.25Å; Y194-E198 HydrophobicContact CE1-CG 4.44Å; Y194-E198 HydrophobicContact CE2-CG 3.7Å; Y194-E198 PolarHBondContact O-N 2.89Å; E198-E200 VanDerWaalsContact C-N 3.33Å; E198-E200 PolarHBondContact O-N 2.85Å; E198-K201 PolarHBondContact O-N 3.16Å; E198-K201 WeakPolarHBondContact OE1-CD 3.46Å; E198-K201 IonicContact OE1-NZ 3.85Å; E198-K201 PolarHBondContact OE1-NZ 3.33Å; E198-K201 IonicContact OE2-NZ 2.75Å; E198-K201 PolarHBondContact OE2-NZ 3.03Å; E198-E202 WeakPolarHBondContact O-CB 3.44Å; E198-E202 VanDerWaalsContact O-CG 3.3Å; E198-E202 WeakPolarHBondContact O-CG 3.3Å; E198-E202 PolarHBondContact O-N 3.21Å; E198-L221 HydrophobicContact CB-CD1 4.06Å; E198-L221 HydrophobicContact CB-CD2 3.64Å; E198-L221 HydrophobicContact CB-CG 4.44Å; E198-L221 HydrophobicContact CG-CD2 4.02Å |
| 199 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.8 | -37.4 | 171.8 | -73.8 | 168 | 0 | 0 | 0 | 112.5 | Y191 Q195 T196 L197 F203 V217 L221 L223 V228 W231 F232 | Y191-L199 HydrophobicContact CD2-CD1 3.93Å; Y191-L199 HydrophobicContact CE2-CD1 4.11Å; Q195-L199 WeakPolarHBondContact O-CB 3.39Å; Q195-L199 WeakPolarHBondContact O-CD1 3.38Å; Q195-L199 WeakPolarHBondContact O-CG 3.33Å; Q195-L199 PolarHBondContact O-N 3.08Å; Q195-L199 VanDerWaalsContact O-N 3.11Å; T196-L199 PolarHBondContact O-N 3.31Å; L197-L199 PolarHBondContact O-N 3.07Å; L199-F203 WeakPolarHBondContact O-CB 3.38Å; L199-F203 PolarHBondContact O-N 2.89Å; L199-V217 HydrophobicContact CD2-CG1 4.02Å; L199-L221 HydrophobicContact CD1-CD1 4.47Å; L199-L221 HydrophobicContact CD2-CD1 3.96Å; L199-L221 HydrophobicContact CG-CD1 3.7Å; L199-L223 HydrophobicContact CD1-CD1 4.11Å; L199-V228 HydrophobicContact CD2-CG1 4.13Å; L199-W231 VanDerWaalsContact C-CH2 3.41Å; L199-W231 HydrophobicContact CB-CD2 3.88Å; L199-W231 HydrophobicContact CB-CE3 3.85Å; L199-W231 HydrophobicContact CB-CH2 3.72Å; L199-W231 HydrophobicContact CB-CZ2 3.71Å; L199-W231 HydrophobicContact CB-CZ3 3.79Å; L199-W231 HydrophobicContact CD1-CB 4.43Å; L199-W231 HydrophobicContact CD1-CD2 3.89Å; L199-W231 HydrophobicContact CD1-CE3 4.48Å; L199-W231 HydrophobicContact CD1-CG 3.83Å; L199-W231 HydrophobicContact CD2-CD2 4.38Å; L199-W231 HydrophobicContact CD2-CE3 4.19Å; L199-W231 HydrophobicContact CG-CD2 4.27Å; L199-W231 HydrophobicContact CG-CE3 4.4Å; L199-W231 VanDerWaalsContact O-CH2 3.27Å; L199-W231 WeakPolarHBondContact O-CH2 3.32Å; L199-W231 VanDerWaalsContact O-CZ3 3.25Å; L199-W231 WeakPolarHBondContact O-CZ3 3.14Å; L199-F232 HydrophobicContact CD2-CD2 4.5Å; L199-F232 HydrophobicContact CD2-CE2 3.98Å |
| 200 | E | 98.7 | Very high | 98.3 | Very high | 69 Ų | 69 | 80.9 Ų | 80.9 | 32% | 0.322 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -70.8 | -41.3 | 175.7 | -73.3 | -169 | 159.2 | 0 | 0 | 112.8 | T196 L197 E198 F203 L204 W231 | T196-E200 WeakPolarHBondContact O-CG 3.38Å; T196-E200 PolarHBondContact O-N 2.88Å; L197-E200 PolarHBondContact O-N 3.36Å; E198-E200 VanDerWaalsContact C-N 3.33Å; E198-E200 PolarHBondContact O-N 2.85Å; E200-F203 WeakPolarHBondContact O-CB 3.33Å; E200-F203 PolarHBondContact O-N 3.2Å; E200-L204 WeakPolarHBondContact O-CG 3.4Å; E200-L204 PolarHBondContact O-N 2.98Å; E200-W231 HydrophobicContact CB-CH2 4.47Å; E200-W231 HydrophobicContact CG-CH2 3.77Å; E200-W231 HydrophobicContact CG-CZ2 3.71Å |
| 201 | K | 98.6 | Very high | 98.4 | Very high | 111 Ų | 111 | 83.2 Ų | 83.2 | 48% | 0.483 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.8 | -48.7 | 172 | 169.5 | -175.7 | 163.2 | -158.6 | 0 | 111.9 | L197 E198 F203 L204 F205 | L197-K201 WeakPolarHBondContact O-CB 3.39Å; L197-K201 PolarHBondContact O-N 2.93Å; E198-K201 PolarHBondContact O-N 3.16Å; E198-K201 WeakPolarHBondContact OE1-CD 3.46Å; E198-K201 IonicContact OE1-NZ 3.85Å; E198-K201 PolarHBondContact OE1-NZ 3.33Å; E198-K201 IonicContact OE2-NZ 2.75Å; E198-K201 PolarHBondContact OE2-NZ 3.03Å; K201-F203 VanDerWaalsContact C-N 3.3Å; K201-F203 PolarHBondContact O-N 3.02Å; K201-L204 PolarHBondContact O-N 3.25Å; K201-F205 PolarHBondContact O-N 3.41Å |
| 202 | E | 98.5 | Very high | 98.4 | Very high | 13 Ų | 13 | 84.9 Ų | 84.9 | 6% | 0.061 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.6 | -36.4 | 175.3 | -71.7 | -64.7 | 128.7 | 0 | 0 | 112.3 | E198 F205 N206 R213 V217 F232 | E198-E202 WeakPolarHBondContact O-CB 3.44Å; E198-E202 VanDerWaalsContact O-CG 3.3Å; E198-E202 WeakPolarHBondContact O-CG 3.3Å; E198-E202 PolarHBondContact O-N 3.21Å; E202-F205 PolarHBondContact O-N 3.42Å; E202-N206 PolarHBondContact O-N 3.45Å; E202-R213 VanDerWaalsContact CD-NH2 3.26Å; E202-R213 IonicContact OE1-CZ 3.64Å; E202-R213 IonicContact OE1-NE 3.8Å; E202-R213 IonicContact OE1-NH2 3.35Å; E202-R213 PolarHBondContact OE1-NH2 3.09Å; E202-R213 IonicContact OE2-CZ 2.61Å; E202-R213 IonicContact OE2-NE 2.72Å; E202-R213 PolarHBondContact OE2-NE 3.2Å; E202-R213 IonicContact OE2-NH2 3.66Å; E202-R213 PolarHBondContact OE2-NH2 3.16Å; E202-R213 VanDerWaalsContact OE2-NH2 3.13Å; E202-V217 HydrophobicContact CG-CG1 4.43Å; E202-V217 HydrophobicContact CG-CG2 3.76Å; E202-F232 HydrophobicContact CB-CZ 3.93Å |
| 203 | F | 98.7 | Very high | 98.4 | Very high | 6 Ų | 6 | 85.3 Ų | 85.3 | 3% | 0.026 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.8 | -35.5 | 176.3 | -174.7 | -100 | 0 | 0 | 0 | 113.5 | L199 E200 K201 N206 M207 W231 F232 R235 R236 | L199-F203 WeakPolarHBondContact O-CB 3.38Å; L199-F203 PolarHBondContact O-N 2.89Å; E200-F203 WeakPolarHBondContact O-CB 3.33Å; E200-F203 PolarHBondContact O-N 3.2Å; K201-F203 VanDerWaalsContact C-N 3.3Å; K201-F203 PolarHBondContact O-N 3.02Å; F203-N206 CarbonylContact O-C 3.37Å; F203-M207 HydrophobicContact CD2-CB 4.38Å; F203-M207 HydrophobicContact CE1-CE 4.35Å; F203-M207 HydrophobicContact CE1-CG 4.11Å; F203-M207 HydrophobicContact CE2-CB 3.83Å; F203-M207 HydrophobicContact CE2-CE 4.41Å; F203-M207 HydrophobicContact CE2-CG 4Å; F203-M207 HydrophobicContact CZ-CB 4.09Å; F203-M207 HydrophobicContact CZ-CE 3.69Å; F203-M207 HydrophobicContact CZ-CG 3.8Å; F203-M207 PolarHBondContact O-N 2.94Å; F203-W231 HydrophobicContact CB-CH2 4.18Å; F203-W231 HydrophobicContact CB-CZ3 4Å; F203-W231 HydrophobicContact CD2-CZ3 4.47Å; F203-W231 HydrophobicContact CG-CZ3 4.42Å; F203-F232 HydrophobicContact CB-CE1 4.15Å; F203-F232 HydrophobicContact CB-CZ 4.26Å; F203-F232 AromaticContact CD2-CD1 3.86Å; F203-F232 HydrophobicContact CD2-CD1 3.86Å; F203-F232 AromaticContact CD2-CE1 3.83Å; F203-F232 HydrophobicContact CD2-CE1 3.83Å; F203-R235 HydrophobicContact CB-CG 4.39Å; F203-R235 HydrophobicContact CD1-CG 3.66Å; F203-R235 HydrophobicContact CD2-CB 4.22Å; F203-R235 HydrophobicContact CD2-CG 3.65Å; F203-R235 HydrophobicContact CE1-CG 3.75Å; F203-R235 HydrophobicContact CE2-CB 4.21Å; F203-R235 HydrophobicContact CE2-CG 3.76Å; F203-R235 HydrophobicContact CG-CG 3.6Å; F203-R235 HydrophobicContact CZ-CG 3.79Å; F203-R236 HydrophobicContact CE2-CG 3.61Å; F203-R236 HydrophobicContact CZ-CG 3.94Å |
| 204 | L | 98.3 | Very high | 98.4 | Very high | 142 Ų | 142 | 79.2 Ų | 79.2 | 74% | 0.743 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -71.7 | -35.6 | 174.7 | -69.1 | 171.3 | 0 | 0 | 0 | 111.7 | E200 K201 | E200-L204 WeakPolarHBondContact O-CG 3.4Å; E200-L204 PolarHBondContact O-N 2.98Å; K201-L204 PolarHBondContact O-N 3.25Å |
| 205 | F | 98.3 | Very high | 98.4 | Very high | 164 Ų | 164 | 76.2 Ų | 76.2 | 72% | 0.719 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.2 | -48.9 | 172.8 | 178 | -103.9 | 0 | 0 | 0 | 111.9 | K201 E202 | K201-F205 PolarHBondContact O-N 3.41Å; E202-F205 PolarHBondContact O-N 3.42Å |
| 206 | N | 97.5 | Very high | 98.4 | Very high | 68 Ų | 68 | 78.6 Ų | 78.6 | 36% | 0.364 | 37% | 0.367 | S | S | . | . | trans | -151.6 | 118.5 | 173.6 | -175.8 | -8.1 | 0 | 0 | 0 | 111.6 | E202 F203 Y208 F232 | E202-N206 PolarHBondContact O-N 3.45Å; F203-N206 CarbonylContact O-C 3.37Å; N206-Y208 VanDerWaalsContact CG-O 3.27Å; N206-Y208 PolarHBondContact ND2-O 3.2Å; N206-Y208 VanDerWaalsContact ND2-O 3.09Å; N206-Y208 PolarHBondContact O-N 2.83Å; N206-Y208 PolarHBondContact OD1-N 3.5Å; N206-Y208 PolarHBondContact OD1-O 3.37Å; N206-Y208 VanDerWaalsContact OD1-O 3.14Å; N206-F232 WeakPolarHBondContact O-CE1 3.4Å | ||
| 207 | M | 97.9 | Very high | 98.4 | Very high | 62 Ų | 62 | 76.6 Ų | 76.6 | 31% | 0.305 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -64.1 | -12.3 | 179.4 | -62.7 | 175.3 | 67 | 0 | 0 | 114.8 | F203 M239 | F203-M207 HydrophobicContact CD2-CB 4.38Å; F203-M207 HydrophobicContact CE1-CE 4.35Å; F203-M207 HydrophobicContact CE1-CG 4.11Å; F203-M207 HydrophobicContact CE2-CB 3.83Å; F203-M207 HydrophobicContact CE2-CE 4.41Å; F203-M207 HydrophobicContact CE2-CG 4Å; F203-M207 HydrophobicContact CZ-CB 4.09Å; F203-M207 HydrophobicContact CZ-CE 3.69Å; F203-M207 HydrophobicContact CZ-CG 3.8Å; F203-M207 PolarHBondContact O-N 2.94Å; M207-M239 HydrophobicContact CE-CE 3.48Å; M207-M239 VanDerWaalsContact CE-CE 3.48Å; M207-M239 HydrophobicContact CE-SD 3.48Å; M207-M239 WeakPolarHBondContact CE-SD 3.39Å; M207-M239 HydrophobicContact SD-SD 4.49Å |
| 208 | Y | 98.4 | Very high | 98.4 | Very high | 145 Ų | 145 | 71.8 Ų | 71.8 | 57% | 0.569 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -134.5 | 106.1 | -176.4 | -65.9 | -104.3 | 0 | 0 | 0 | 111.1 | N206 | N206-Y208 VanDerWaalsContact CG-O 3.27Å; N206-Y208 PolarHBondContact ND2-O 3.2Å; N206-Y208 VanDerWaalsContact ND2-O 3.09Å; N206-Y208 PolarHBondContact O-N 2.83Å; N206-Y208 PolarHBondContact OD1-N 3.5Å; N206-Y208 PolarHBondContact OD1-O 3.37Å; N206-Y208 VanDerWaalsContact OD1-O 3.14Å |
| 209 | L | 98.3 | Very high | 98.4 | Very high | 26 Ų | 26 | 78 Ų | 78 | 14% | 0.136 | 35% | 0.353 | C | S | . | . | trans | -73.8 | 134 | 177.9 | -57.9 | -173.9 | 0 | 0 | 0 | 113.1 | R213 R214 V228 F232 | L209-R213 HydrophobicContact CD2-CG 3.99Å; L209-R214 HydrophobicContact CB-CB 4.32Å; L209-R214 HydrophobicContact CD1-CB 4.19Å; L209-R214 HydrophobicContact CD1-CG 4.37Å; L209-V228 HydrophobicContact CD1-CG1 3.57Å; L209-F232 HydrophobicContact CD1-CD1 4.46Å; L209-F232 HydrophobicContact CD1-CD2 3.89Å; L209-F232 HydrophobicContact CD1-CE1 4.2Å; L209-F232 HydrophobicContact CD1-CE2 3.62Å; L209-F232 HydrophobicContact CD1-CG 4.32Å; L209-F232 HydrophobicContact CD1-CZ 3.79Å; L209-F232 HydrophobicContact CD2-CD1 4.46Å; L209-F232 HydrophobicContact CD2-CE1 3.71Å; L209-F232 HydrophobicContact CD2-CE2 4.38Å; L209-F232 HydrophobicContact CD2-CZ 3.67Å; L209-F232 HydrophobicContact CG-CD1 3.91Å; L209-F232 HydrophobicContact CG-CD2 4.24Å; L209-F232 HydrophobicContact CG-CE1 3.62Å; L209-F232 HydrophobicContact CG-CE2 4Å; L209-F232 HydrophobicContact CG-CG 4.22Å; L209-F232 HydrophobicContact CG-CZ 3.69Å | ||
| 210 | T | 98.5 | Very high | 98.4 | Very high | 83 Ų | 83 | 81.3 Ų | 81.3 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | trans | -63.7 | 175 | 160.4 | 61.3 | 0 | 0 | 0 | 0 | 111 | R213 R214 | T210-R213 WeakPolarHBondContact OG1-CB 3.35Å; T210-R213 PolarHBondContact OG1-N 3.44Å; T210-R214 WeakPolarHBondContact O-CB 3.25Å; T210-R214 PolarHBondContact O-N 2.85Å | ||
| 211 | R | 98.4 | Very high | 98.4 | Very high | 169 Ų | 169 | 78.2 Ų | 78.2 | 64% | 0.638 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.8 | -51.8 | 175.8 | -177 | 178 | -175 | -166.9 | -4.9 | 110.8 | R214 H215 | R211-R214 WeakPolarHBondContact O-CB 3.42Å; R211-R214 PolarHBondContact O-N 3.13Å; R211-H215 WeakPolarHBondContact CD-NE2 3.43Å; R211-H215 WeakPolarHBondContact CG-NE2 3.43Å; R211-H215 VanDerWaalsContact CZ-NE2 3.34Å; R211-H215 PolarHBondContact NE-NE2 2.92Å; R211-H215 PolarHBondContact NH2-NE2 2.96Å; R211-H215 PolarHBondContact O-CD2 2.81Å; R211-H215 VanDerWaalsContact O-CD2 3.28Å; R211-H215 PolarHBondContact O-N 3.13Å; R211-H215 VanDerWaalsContact O-N 3.11Å |
| 212 | D | 98.4 | Very high | 98.4 | Very high | 100 Ų | 100 | 80 Ų | 80 | 54% | 0.535 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -70.8 | -40.6 | -170.4 | -46.3 | -52.7 | 0 | 0 | 0 | 111.6 | R214 H215 E216 | D212-R214 VanDerWaalsContact C-N 3.26Å; D212-R214 PolarHBondContact O-N 2.91Å; D212-H215 WeakPolarHBondContact O-CB 3.45Å; D212-H215 PolarHBondContact O-N 3.4Å; D212-E216 PolarHBondContact O-N 2.81Å |
| 213 | R | 98.5 | Very high | 98.3 | Very high | 86 Ų | 86 | 80.2 Ų | 80.2 | 33% | 0.325 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.9 | -33.4 | 173.5 | -169.4 | 54.8 | 172.8 | -170.5 | -1.9 | 112.7 | E202 L209 T210 E216 V217 | E202-R213 VanDerWaalsContact CD-NH2 3.26Å; E202-R213 IonicContact OE1-CZ 3.64Å; E202-R213 IonicContact OE1-NE 3.8Å; E202-R213 IonicContact OE1-NH2 3.35Å; E202-R213 PolarHBondContact OE1-NH2 3.09Å; E202-R213 IonicContact OE2-CZ 2.61Å; E202-R213 IonicContact OE2-NE 2.72Å; E202-R213 PolarHBondContact OE2-NE 3.2Å; E202-R213 IonicContact OE2-NH2 3.66Å; E202-R213 PolarHBondContact OE2-NH2 3.16Å; E202-R213 VanDerWaalsContact OE2-NH2 3.13Å; L209-R213 HydrophobicContact CD2-CG 3.99Å; T210-R213 WeakPolarHBondContact OG1-CB 3.35Å; T210-R213 PolarHBondContact OG1-N 3.44Å; R213-E216 WeakPolarHBondContact CD-OE2 3.3Å; R213-E216 IonicContact CZ-OE2 2.43Å; R213-E216 IonicContact NE-OE2 3.25Å; R213-E216 IonicContact NH1-OE2 3.66Å; R213-E216 PolarHBondContact NH1-OE2 3.23Å; R213-E216 PolarHBondContact O-N 3.05Å; R213-V217 HydrophobicContact CG-CG2 4.4Å; R213-V217 WeakPolarHBondContact O-CG2 3.5Å; R213-V217 PolarHBondContact O-N 3.33Å |
| 214 | R | 98.8 | Very high | 98.3 | Very high | 57 Ų | 57 | 83.7 Ų | 83.7 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 173.2 | -169.6 | -167 | -54.6 | 144 | 10.6 | 111.8 | L209 T210 R211 D212 E216 A218 E225 V228 | L209-R214 HydrophobicContact CB-CB 4.32Å; L209-R214 HydrophobicContact CD1-CB 4.19Å; L209-R214 HydrophobicContact CD1-CG 4.37Å; T210-R214 WeakPolarHBondContact O-CB 3.25Å; T210-R214 PolarHBondContact O-N 2.85Å; R211-R214 WeakPolarHBondContact O-CB 3.42Å; R211-R214 PolarHBondContact O-N 3.13Å; D212-R214 VanDerWaalsContact C-N 3.26Å; D212-R214 PolarHBondContact O-N 2.91Å; R214-E216 VanDerWaalsContact C-N 3.34Å; R214-A218 WeakPolarHBondContact O-CB 3.27Å; R214-A218 PolarHBondContact O-N 3.29Å; R214-E225 WeakPolarHBondContact CD-O 3.14Å; R214-E225 HydrophobicContact CG-CB 4.22Å; R214-E225 HydrophobicContact CG-CG 4.24Å; R214-E225 IonicContact NH1-OE2 3.83Å; R214-V228 HydrophobicContact CG-CB 4.21Å; R214-V228 HydrophobicContact CG-CG1 4.11Å |
| 215 | H | 98.7 | Very high | 98.4 | Very high | 71 Ų | 71 | 79.9 Ų | 79.9 | 33% | 0.329 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 174.6 | -70.4 | -60.6 | 0 | 0 | 0 | 112.1 | R211 D212 R219 E225 | R211-H215 WeakPolarHBondContact CD-NE2 3.43Å; R211-H215 WeakPolarHBondContact CG-NE2 3.43Å; R211-H215 VanDerWaalsContact CZ-NE2 3.34Å; R211-H215 PolarHBondContact NE-NE2 2.92Å; R211-H215 PolarHBondContact NH2-NE2 2.96Å; R211-H215 PolarHBondContact O-CD2 2.81Å; R211-H215 VanDerWaalsContact O-CD2 3.28Å; R211-H215 PolarHBondContact O-N 3.13Å; R211-H215 VanDerWaalsContact O-N 3.11Å; D212-H215 WeakPolarHBondContact O-CB 3.45Å; D212-H215 PolarHBondContact O-N 3.4Å; H215-R219 WeakPolarHBondContact O-CG 3.39Å; H215-R219 PolarHBondContact O-N 2.77Å; H215-R219 PolarHBondContact O-NE 3.17Å; H215-E225 IonicContact CE1-OE1 3.13Å; H215-E225 PolarHBondContact CE1-OE1 3.09Å; H215-E225 IonicContact CE1-OE2 2.7Å; H215-E225 PolarHBondContact CE1-OE2 3.3Å; H215-E225 IonicContact ND1-OE1 2.86Å; H215-E225 PolarHBondContact ND1-OE1 3.14Å; H215-E225 IonicContact ND1-OE2 2.69Å |
| 216 | E | 98.6 | Very high | 98.3 | Very high | 78 Ų | 78 | 80.8 Ų | 80.8 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.9 | -54 | 175.6 | -70 | 165.7 | -164.8 | 0 | 0 | 112.3 | D212 R213 R214 A218 R219 S220 | D212-E216 PolarHBondContact O-N 2.81Å; R213-E216 WeakPolarHBondContact CD-OE2 3.3Å; R213-E216 IonicContact CZ-OE2 2.43Å; R213-E216 IonicContact NE-OE2 3.25Å; R213-E216 IonicContact NH1-OE2 3.66Å; R213-E216 PolarHBondContact NH1-OE2 3.23Å; R213-E216 PolarHBondContact O-N 3.05Å; R214-E216 VanDerWaalsContact C-N 3.34Å; E216-A218 VanDerWaalsContact C-N 3.29Å; E216-A218 PolarHBondContact O-N 2.98Å; E216-R219 PolarHBondContact O-N 3.33Å; E216-R219 VanDerWaalsContact O-N 3.16Å; E216-S220 PolarHBondContact O-N 2.91Å; E216-S220 PolarHBondContact O-OG 3.07Å |
| 217 | V | 98.5 | Very high | 98.4 | Very high | 4 Ų | 4 | 80.8 Ų | 80.8 | 2% | 0.024 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.9 | -33.6 | -179.1 | 177.1 | 0 | 0 | 0 | 0 | 111.8 | L199 E202 R213 S220 L221 V228 | L199-V217 HydrophobicContact CD2-CG1 4.02Å; E202-V217 HydrophobicContact CG-CG1 4.43Å; E202-V217 HydrophobicContact CG-CG2 3.76Å; R213-V217 HydrophobicContact CG-CG2 4.4Å; R213-V217 WeakPolarHBondContact O-CG2 3.5Å; R213-V217 PolarHBondContact O-N 3.33Å; V217-S220 PolarHBondContact O-OG 3.43Å; V217-L221 HydrophobicContact CG1-CD1 3.82Å; V217-L221 HydrophobicContact CG1-CG 4.38Å; V217-L221 WeakPolarHBondContact O-CB 3.48Å; V217-L221 WeakPolarHBondContact O-CG 3.42Å; V217-L221 PolarHBondContact O-N 3.1Å; V217-V228 HydrophobicContact CG1-CG1 4.13Å; V217-V228 HydrophobicContact CG1-CG2 4.45Å |
| 218 | A | 98.6 | Very high | 98.4 | Very high | 9 Ų | 9 | 77.8 Ų | 77.8 | 7% | 0.074 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.4 | -48.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R214 E216 N222 L223 E225 V228 | R214-A218 WeakPolarHBondContact O-CB 3.27Å; R214-A218 PolarHBondContact O-N 3.29Å; E216-A218 VanDerWaalsContact C-N 3.29Å; E216-A218 PolarHBondContact O-N 2.98Å; A218-N222 PolarHBondContact O-N 3.04Å; A218-L223 CarbonylContact C-O 3.39Å; A218-L223 WeakPolarHBondContact CA-O 3.23Å; A218-L223 VanDerWaalsContact CB-O 3.24Å; A218-L223 WeakPolarHBondContact CB-O 3Å; A218-L223 PolarHBondContact O-N 3.21Å; A218-E225 HydrophobicContact CB-CG 4.23Å; A218-V228 HydrophobicContact CB-CG2 4.21Å |
| 219 | R | 98.4 | Very high | 98.4 | Very high | 176 Ų | 176 | 76.6 Ų | 76.6 | 66% | 0.664 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67 | -45.4 | 179.3 | -73.4 | -176.8 | -64.1 | 113.7 | -4.2 | 112.9 | H215 E216 L221 N222 | H215-R219 WeakPolarHBondContact O-CG 3.39Å; H215-R219 PolarHBondContact O-N 2.77Å; H215-R219 PolarHBondContact O-NE 3.17Å; E216-R219 PolarHBondContact O-N 3.33Å; E216-R219 VanDerWaalsContact O-N 3.16Å; R219-L221 VanDerWaalsContact C-N 3.26Å; R219-L221 PolarHBondContact O-N 2.78Å; R219-N222 PolarHBondContact O-N 3.45Å |
| 220 | S | 98.2 | Very high | 98.4 | Very high | 68 Ų | 68 | 77.9 Ų | 77.9 | 48% | 0.476 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66 | -28.2 | -177.8 | 61.3 | 0 | 0 | 0 | 0 | 113.4 | E216 V217 | E216-S220 PolarHBondContact O-N 2.91Å; E216-S220 PolarHBondContact O-OG 3.07Å; V217-S220 PolarHBondContact O-OG 3.43Å |
| 221 | L | 98.2 | Very high | 98.4 | Very high | 4 Ų | 4 | 75.5 Ų | 75.5 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 1.9 | -177.3 | -58 | -173.6 | 0 | 0 | 0 | 114.3 | Y194 Q195 E198 L199 V217 R219 L223 | Y194-L221 HydrophobicContact CD1-CD2 4.29Å; Y194-L221 HydrophobicContact CE1-CD2 3.7Å; Q195-L221 HydrophobicContact CG-CB 4.29Å; Q195-L221 PolarHBondContact NE2-O 3.41Å; E198-L221 HydrophobicContact CB-CD1 4.06Å; E198-L221 HydrophobicContact CB-CD2 3.64Å; E198-L221 HydrophobicContact CB-CG 4.44Å; E198-L221 HydrophobicContact CG-CD2 4.02Å; L199-L221 HydrophobicContact CD1-CD1 4.47Å; L199-L221 HydrophobicContact CD2-CD1 3.96Å; L199-L221 HydrophobicContact CG-CD1 3.7Å; V217-L221 HydrophobicContact CG1-CD1 3.82Å; V217-L221 HydrophobicContact CG1-CG 4.38Å; V217-L221 WeakPolarHBondContact O-CB 3.48Å; V217-L221 WeakPolarHBondContact O-CG 3.42Å; V217-L221 PolarHBondContact O-N 3.1Å; R219-L221 VanDerWaalsContact C-N 3.26Å; R219-L221 PolarHBondContact O-N 2.78Å; L221-L223 VanDerWaalsContact C-N 3.27Å; L221-L223 HydrophobicContact CB-CD1 4.16Å; L221-L223 HydrophobicContact CB-CG 4.17Å; L221-L223 PolarHBondContact O-N 2.91Å |
| 222 | N | 98.3 | Very high | 98.5 | Very high | 150 Ų | 150 | 67.8 Ų | 67.8 | 80% | 0.802 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 45.5 | -172.2 | -64.4 | -49.9 | 0 | 0 | 0 | 112.5 | A218 R219 | A218-N222 PolarHBondContact O-N 3.04Å; R219-N222 PolarHBondContact O-N 3.45Å |
| 223 | L | 98 | Very high | 98.5 | Very high | 16 Ų | 16 | 68 Ų | 68 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | trans | -119.2 | 151.9 | 177 | -67.5 | 178 | 0 | 0 | 0 | 110.1 | Y191 L199 A218 L221 Q227 V228 | Y191-L223 HydrophobicContact CD1-CD2 4.21Å; Y191-L223 HydrophobicContact CE1-CD2 4.06Å; Y191-L223 HydrophobicContact CE2-CD1 4.42Å; L199-L223 HydrophobicContact CD1-CD1 4.11Å; A218-L223 CarbonylContact C-O 3.39Å; A218-L223 WeakPolarHBondContact CA-O 3.23Å; A218-L223 VanDerWaalsContact CB-O 3.24Å; A218-L223 WeakPolarHBondContact CB-O 3Å; A218-L223 PolarHBondContact O-N 3.21Å; L221-L223 VanDerWaalsContact C-N 3.27Å; L221-L223 HydrophobicContact CB-CD1 4.16Å; L221-L223 HydrophobicContact CB-CG 4.17Å; L221-L223 PolarHBondContact O-N 2.91Å; L223-Q227 HydrophobicContact CB-CB 4.33Å; L223-V228 HydrophobicContact CB-CG2 4.14Å | ||
| 224 | T | 98.5 | Very high | 98.5 | Very high | 79 Ų | 79 | 68.6 Ų | 68.6 | 49% | 0.485 | 32% | 0.324 | S | S | . | . | trans | -69 | 147.9 | 169 | 62.8 | 0 | 0 | 0 | 0 | 110.8 | R226 Q227 V228 | T224-R226 PolarHBondContact O-N 3.34Å; T224-Q227 WeakPolarHBondContact O-CB 3.48Å; T224-Q227 PolarHBondContact O-N 3.5Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.47Å; T224-Q227 PolarHBondContact OG1-N 3.07Å; T224-Q227 VanDerWaalsContact OG1-N 3.17Å; T224-Q227 PolarHBondContact OG1-OE1 3.02Å; T224-V228 PolarHBondContact O-N 3.17Å; T224-V228 VanDerWaalsContact O-N 3.11Å | ||
| 225 | E | 98.5 | Very high | 98.5 | Very high | 63 Ų | 63 | 68 Ų | 68 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -48.7 | -36.3 | 169.6 | -76.5 | -175.8 | -98.4 | 0 | 0 | 112.7 | R214 H215 A218 V228 K229 | R214-E225 WeakPolarHBondContact CD-O 3.14Å; R214-E225 HydrophobicContact CG-CB 4.22Å; R214-E225 HydrophobicContact CG-CG 4.24Å; R214-E225 IonicContact NH1-OE2 3.83Å; H215-E225 IonicContact CE1-OE1 3.13Å; H215-E225 PolarHBondContact CE1-OE1 3.09Å; H215-E225 IonicContact CE1-OE2 2.7Å; H215-E225 PolarHBondContact CE1-OE2 3.3Å; H215-E225 IonicContact ND1-OE1 2.86Å; H215-E225 PolarHBondContact ND1-OE1 3.14Å; H215-E225 IonicContact ND1-OE2 2.69Å; A218-E225 HydrophobicContact CB-CG 4.23Å; E225-V228 PolarHBondContact O-N 3.38Å; E225-K229 VanDerWaalsContact O-CB 3.3Å; E225-K229 WeakPolarHBondContact O-CB 3.34Å; E225-K229 PolarHBondContact O-N 3.39Å |
| 226 | R | 98.1 | Very high | 98.4 | Very high | 182 Ų | 182 | 68.3 Ų | 68.3 | 69% | 0.687 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.9 | -41.8 | 178.6 | -172.8 | 176.8 | -178 | -82.7 | 0.3 | 111.6 | T224 K229 I230 | T224-R226 PolarHBondContact O-N 3.34Å; R226-K229 PolarHBondContact O-N 3.35Å; R226-I230 HydrophobicContact CG-CD1 3.94Å; R226-I230 WeakPolarHBondContact O-CB 3.47Å; R226-I230 WeakPolarHBondContact O-CD1 3.35Å; R226-I230 VanDerWaalsContact O-CG1 3.23Å; R226-I230 WeakPolarHBondContact O-CG1 3.46Å; R226-I230 PolarHBondContact O-N 2.85Å |
| 227 | Q | 98.3 | Very high | 98.4 | Very high | 68 Ų | 68 | 69.7 Ų | 69.7 | 32% | 0.318 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 173.9 | -81.7 | 161.3 | -60.6 | 0 | 0 | 111.6 | Y191 L223 T224 I230 W231 | Y191-Q227 WeakPolarHBondContact OH-CB 3.39Å; L223-Q227 HydrophobicContact CB-CB 4.33Å; T224-Q227 WeakPolarHBondContact O-CB 3.48Å; T224-Q227 PolarHBondContact O-N 3.5Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.47Å; T224-Q227 PolarHBondContact OG1-N 3.07Å; T224-Q227 VanDerWaalsContact OG1-N 3.17Å; T224-Q227 PolarHBondContact OG1-OE1 3.02Å; Q227-I230 PolarHBondContact O-N 2.95Å; Q227-W231 WeakPolarHBondContact O-CB 3.5Å; Q227-W231 PolarHBondContact O-N 3.41Å |
| 228 | V | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.7 | -48.9 | 175.8 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | L199 L209 R214 V217 A218 L223 T224 E225 I230 W231 F232 | L199-V228 HydrophobicContact CD2-CG1 4.13Å; L209-V228 HydrophobicContact CD1-CG1 3.57Å; R214-V228 HydrophobicContact CG-CB 4.21Å; R214-V228 HydrophobicContact CG-CG1 4.11Å; V217-V228 HydrophobicContact CG1-CG1 4.13Å; V217-V228 HydrophobicContact CG1-CG2 4.45Å; A218-V228 HydrophobicContact CB-CG2 4.21Å; L223-V228 HydrophobicContact CB-CG2 4.14Å; T224-V228 PolarHBondContact O-N 3.17Å; T224-V228 VanDerWaalsContact O-N 3.11Å; E225-V228 PolarHBondContact O-N 3.38Å; V228-I230 PolarHBondContact O-N 3.21Å; V228-W231 PolarHBondContact O-N 3.16Å; V228-F232 HydrophobicContact CG1-CD2 3.95Å; V228-F232 HydrophobicContact CG1-CE2 4.09Å; V228-F232 WeakPolarHBondContact O-CD2 3.36Å; V228-F232 PolarHBondContact O-N 2.95Å |
| 229 | K | 98.4 | Very high | 98.2 | Very high | 120 Ų | 120 | 78.1 Ų | 78.1 | 52% | 0.522 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56 | -45.8 | 176.5 | -179.8 | -178 | 176 | -178.3 | 0 | 112.4 | E225 R226 Q233 | E225-K229 VanDerWaalsContact O-CB 3.3Å; E225-K229 WeakPolarHBondContact O-CB 3.34Å; E225-K229 PolarHBondContact O-N 3.39Å; R226-K229 PolarHBondContact O-N 3.35Å; K229-Q233 PolarHBondContact O-N 3.2Å |
| 230 | I | 98.5 | Very high | 98.2 | Very high | 53 Ų | 53 | 76.2 Ų | 76.2 | 27% | 0.272 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 178.6 | -72.4 | 168 | 0 | 0 | 0 | 110.8 | R226 Q227 V228 Q233 N234 | R226-I230 HydrophobicContact CG-CD1 3.94Å; R226-I230 WeakPolarHBondContact O-CB 3.47Å; R226-I230 WeakPolarHBondContact O-CD1 3.35Å; R226-I230 VanDerWaalsContact O-CG1 3.23Å; R226-I230 WeakPolarHBondContact O-CG1 3.46Å; R226-I230 PolarHBondContact O-N 2.85Å; Q227-I230 PolarHBondContact O-N 2.95Å; V228-I230 PolarHBondContact O-N 3.21Å; I230-Q233 WeakPolarHBondContact O-CB 3.49Å; I230-Q233 PolarHBondContact O-N 3.49Å; I230-N234 VanDerWaalsContact O-CG 3.26Å; I230-N234 PolarHBondContact O-N 3.12Å; I230-N234 PolarHBondContact O-ND2 3.48Å |
| 231 | W | 98.6 | Very high | 98 | Very high | 33 Ų | 33 | 79.7 Ų | 79.7 | 13% | 0.125 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 177.6 | -172.8 | 99 | 0 | 0 | 0 | 111.4 | Y191 L199 E200 F203 Q227 V228 Q233 N234 R235 | Y191-W231 AromaticContact CD2-CD1 3.83Å; Y191-W231 HydrophobicContact CE2-CB 4.14Å; Y191-W231 AromaticContact CE2-CD1 3.56Å; Y191-W231 HydrophobicContact CE2-CG 4.13Å; L199-W231 VanDerWaalsContact C-CH2 3.41Å; L199-W231 HydrophobicContact CB-CD2 3.88Å; L199-W231 HydrophobicContact CB-CE3 3.85Å; L199-W231 HydrophobicContact CB-CH2 3.72Å; L199-W231 HydrophobicContact CB-CZ2 3.71Å; L199-W231 HydrophobicContact CB-CZ3 3.79Å; L199-W231 HydrophobicContact CD1-CB 4.43Å; L199-W231 HydrophobicContact CD1-CD2 3.89Å; L199-W231 HydrophobicContact CD1-CE3 4.48Å; L199-W231 HydrophobicContact CD1-CG 3.83Å; L199-W231 HydrophobicContact CD2-CD2 4.38Å; L199-W231 HydrophobicContact CD2-CE3 4.19Å; L199-W231 HydrophobicContact CG-CD2 4.27Å; L199-W231 HydrophobicContact CG-CE3 4.4Å; L199-W231 VanDerWaalsContact O-CH2 3.27Å; L199-W231 WeakPolarHBondContact O-CH2 3.32Å; L199-W231 VanDerWaalsContact O-CZ3 3.25Å; L199-W231 WeakPolarHBondContact O-CZ3 3.14Å; E200-W231 HydrophobicContact CB-CH2 4.47Å; E200-W231 HydrophobicContact CG-CH2 3.77Å; E200-W231 HydrophobicContact CG-CZ2 3.71Å; F203-W231 HydrophobicContact CB-CH2 4.18Å; F203-W231 HydrophobicContact CB-CZ3 4Å; F203-W231 HydrophobicContact CD2-CZ3 4.47Å; F203-W231 HydrophobicContact CG-CZ3 4.42Å; Q227-W231 WeakPolarHBondContact O-CB 3.5Å; Q227-W231 PolarHBondContact O-N 3.41Å; V228-W231 PolarHBondContact O-N 3.16Å; W231-Q233 VanDerWaalsContact C-N 3.29Å; W231-Q233 PolarHBondContact O-N 3.32Å; W231-N234 PolarHBondContact O-N 2.91Å; W231-N234 VanDerWaalsContact O-N 3.17Å; W231-R235 HydrophobicContact CD2-CB 4.43Å; W231-R235 HydrophobicContact CE3-CB 3.99Å; W231-R235 HydrophobicContact CH2-CB 3.9Å; W231-R235 HydrophobicContact CH2-CG 3.58Å; W231-R235 HydrophobicContact CZ2-CB 4.36Å; W231-R235 HydrophobicContact CZ2-CG 4.25Å; W231-R235 HydrophobicContact CZ3-CB 3.7Å; W231-R235 HydrophobicContact CZ3-CG 3.74Å; W231-R235 WeakPolarHBondContact O-CB 3.26Å; W231-R235 PolarHBondContact O-N 3.42Å |
| 232 | F | 98.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 84.3 Ų | 84.3 | 3% | 0.026 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.3 | -31.1 | 175.4 | -91.4 | -102.4 | 0 | 0 | 0 | 113.3 | L199 E202 F203 N206 L209 V228 R236 | L199-F232 HydrophobicContact CD2-CD2 4.5Å; L199-F232 HydrophobicContact CD2-CE2 3.98Å; E202-F232 HydrophobicContact CB-CZ 3.93Å; F203-F232 HydrophobicContact CB-CE1 4.15Å; F203-F232 HydrophobicContact CB-CZ 4.26Å; F203-F232 AromaticContact CD2-CD1 3.86Å; F203-F232 HydrophobicContact CD2-CD1 3.86Å; F203-F232 AromaticContact CD2-CE1 3.83Å; F203-F232 HydrophobicContact CD2-CE1 3.83Å; N206-F232 WeakPolarHBondContact O-CE1 3.4Å; L209-F232 HydrophobicContact CD1-CD1 4.46Å; L209-F232 HydrophobicContact CD1-CD2 3.89Å; L209-F232 HydrophobicContact CD1-CE1 4.2Å; L209-F232 HydrophobicContact CD1-CE2 3.62Å; L209-F232 HydrophobicContact CD1-CG 4.32Å; L209-F232 HydrophobicContact CD1-CZ 3.79Å; L209-F232 HydrophobicContact CD2-CD1 4.46Å; L209-F232 HydrophobicContact CD2-CE1 3.71Å; L209-F232 HydrophobicContact CD2-CE2 4.38Å; L209-F232 HydrophobicContact CD2-CZ 3.67Å; L209-F232 HydrophobicContact CG-CD1 3.91Å; L209-F232 HydrophobicContact CG-CD2 4.24Å; L209-F232 HydrophobicContact CG-CE1 3.62Å; L209-F232 HydrophobicContact CG-CE2 4Å; L209-F232 HydrophobicContact CG-CG 4.22Å; L209-F232 HydrophobicContact CG-CZ 3.69Å; V228-F232 HydrophobicContact CG1-CD2 3.95Å; V228-F232 HydrophobicContact CG1-CE2 4.09Å; V228-F232 WeakPolarHBondContact O-CD2 3.36Å; V228-F232 PolarHBondContact O-N 2.95Å; F232-R236 WeakPolarHBondContact O-CG 3.48Å; F232-R236 PolarHBondContact O-N 3.23Å; F232-R236 PolarHBondContact O-NE 3.11Å |
| 233 | Q | 98.7 | Very high | 97.4 | Very high | 105 Ų | 105 | 81.9 Ų | 81.9 | 49% | 0.491 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69 | -48.3 | 171.7 | -170.6 | 172.9 | 11.6 | 0 | 0 | 111.2 | K229 I230 W231 R235 R236 M237 | K229-Q233 PolarHBondContact O-N 3.2Å; I230-Q233 WeakPolarHBondContact O-CB 3.49Å; I230-Q233 PolarHBondContact O-N 3.49Å; W231-Q233 VanDerWaalsContact C-N 3.29Å; W231-Q233 PolarHBondContact O-N 3.32Å; Q233-R235 PolarHBondContact O-N 3.3Å; Q233-R236 PolarHBondContact O-N 3.42Å; Q233-M237 WeakPolarHBondContact O-CG 3.21Å; Q233-M237 PolarHBondContact O-N 3.02Å; Q233-M237 VanDerWaalsContact O-N 3.1Å |
| 234 | N | 98.4 | Very high | 96.8 | Very high | 99 Ų | 99 | 89.7 Ų | 89.7 | 53% | 0.529 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 177.4 | -67.8 | -19.1 | 0 | 0 | 0 | 112.1 | I230 W231 R236 M237 K238 | I230-N234 VanDerWaalsContact O-CG 3.26Å; I230-N234 PolarHBondContact O-N 3.12Å; I230-N234 PolarHBondContact O-ND2 3.48Å; W231-N234 PolarHBondContact O-N 2.91Å; W231-N234 VanDerWaalsContact O-N 3.17Å; N234-R236 PolarHBondContact O-N 3.05Å; N234-M237 PolarHBondContact O-N 3.22Å; N234-K238 PolarHBondContact O-N 2.93Å |
| 235 | R | 98.6 | Very high | 95.9 | Very high | 45 Ų | 45 | 90.8 Ų | 90.8 | 17% | 0.17 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.3 | -38.3 | -179.5 | -176.4 | 62.8 | -174 | 77.5 | -0.8 | 112.7 | F203 W231 Q233 M239 | F203-R235 HydrophobicContact CB-CG 4.39Å; F203-R235 HydrophobicContact CD1-CG 3.66Å; F203-R235 HydrophobicContact CD2-CB 4.22Å; F203-R235 HydrophobicContact CD2-CG 3.65Å; F203-R235 HydrophobicContact CE1-CG 3.75Å; F203-R235 HydrophobicContact CE2-CB 4.21Å; F203-R235 HydrophobicContact CE2-CG 3.76Å; F203-R235 HydrophobicContact CG-CG 3.6Å; F203-R235 HydrophobicContact CZ-CG 3.79Å; W231-R235 HydrophobicContact CD2-CB 4.43Å; W231-R235 HydrophobicContact CE3-CB 3.99Å; W231-R235 HydrophobicContact CH2-CB 3.9Å; W231-R235 HydrophobicContact CH2-CG 3.58Å; W231-R235 HydrophobicContact CZ2-CB 4.36Å; W231-R235 HydrophobicContact CZ2-CG 4.25Å; W231-R235 HydrophobicContact CZ3-CB 3.7Å; W231-R235 HydrophobicContact CZ3-CG 3.74Å; W231-R235 WeakPolarHBondContact O-CB 3.26Å; W231-R235 PolarHBondContact O-N 3.42Å; Q233-R235 PolarHBondContact O-N 3.3Å; R235-M239 PolarHBondContact O-N 3.37Å |
| 236 | R | 98.4 | Very high | 94.8 | Very high | 76 Ų | 76 | 94 Ų | 94 | 29% | 0.287 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.6 | -41 | 171.3 | -72.2 | 179.7 | -72 | 153.7 | -3.7 | 112 | F203 F232 Q233 N234 M239 K240 | F203-R236 HydrophobicContact CE2-CG 3.61Å; F203-R236 HydrophobicContact CZ-CG 3.94Å; F232-R236 WeakPolarHBondContact O-CG 3.48Å; F232-R236 PolarHBondContact O-N 3.23Å; F232-R236 PolarHBondContact O-NE 3.11Å; Q233-R236 PolarHBondContact O-N 3.42Å; N234-R236 PolarHBondContact O-N 3.05Å; R236-M239 PolarHBondContact O-N 2.87Å; R236-K240 WeakPolarHBondContact O-CB 3.12Å; R236-K240 PolarHBondContact O-N 2.73Å |
| 237 | M | 98.2 | Very high | 93.6 | Very high | 107 Ų | 107 | 89.8 Ų | 89.8 | 53% | 0.527 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 176 | -66.8 | -66.6 | -83.7 | 0 | 0 | 112.1 | Q233 N234 K240 K241 | Q233-M237 WeakPolarHBondContact O-CG 3.21Å; Q233-M237 PolarHBondContact O-N 3.02Å; Q233-M237 VanDerWaalsContact O-N 3.1Å; N234-M237 PolarHBondContact O-N 3.22Å; M237-K240 PolarHBondContact O-N 3.45Å; M237-K241 PolarHBondContact O-N 2.94Å |
| 238 | K | 97.2 | Very high | 92.3 | Very high | 137 Ų | 137 | 96.6 Ų | 96.6 | 60% | 0.596 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -59.6 | -45.7 | 172.9 | -174.7 | -177.5 | 177.7 | -172.6 | 0 | 111.5 | N234 K241 M242 | N234-K238 PolarHBondContact O-N 2.93Å; K238-K241 PolarHBondContact O-N 2.84Å; K238-M242 PolarHBondContact O-N 3.43Å |
| 239 | M | 96.3 | Very high | 90.5 | Very high | 54 Ų | 54 | 107.1 Ų | 107.1 | 27% | 0.266 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -50.6 | 176.4 | -165.4 | -165.7 | 80.2 | 0 | 0 | 111.6 | M207 R235 R236 K241 M242 N243 | M207-M239 HydrophobicContact CE-CE 3.48Å; M207-M239 VanDerWaalsContact CE-CE 3.48Å; M207-M239 HydrophobicContact CE-SD 3.48Å; M207-M239 WeakPolarHBondContact CE-SD 3.39Å; M207-M239 HydrophobicContact SD-SD 4.49Å; R235-M239 PolarHBondContact O-N 3.37Å; R236-M239 PolarHBondContact O-N 2.87Å; M239-K241 PolarHBondContact O-N 3.05Å; M239-M242 PolarHBondContact O-N 3.3Å; M239-M242 VanDerWaalsContact O-N 3.11Å; M239-N243 PolarHBondContact O-N 2.85Å; M239-N243 PolarHBondContact O-OD1 3.18Å |
| 240 | K | 96.6 | Very high | 90.1 | Very high | 136 Ų | 136 | 106.5 Ų | 106.5 | 59% | 0.591 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -57.4 | -35.7 | 179.2 | -172.2 | 179.7 | 69 | 174 | 0 | 112.5 | R236 M237 K244 | R236-K240 WeakPolarHBondContact O-CB 3.12Å; R236-K240 PolarHBondContact O-N 2.73Å; M237-K240 PolarHBondContact O-N 3.45Å; K240-K244 PolarHBondContact O-N 3.17Å |
| 241 | K | 95.6 | Very high | 89.7 | Confident | 140 Ų | 140 | 109.3 Ų | 109.3 | 61% | 0.609 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66 | -55.4 | 173.4 | -177.9 | 174.7 | 179.5 | -175.7 | 0 | 110.9 | M237 K238 M239 N243 K244 D245 | M237-K241 PolarHBondContact O-N 2.94Å; K238-K241 PolarHBondContact O-N 2.84Å; M239-K241 PolarHBondContact O-N 3.05Å; K241-N243 VanDerWaalsContact C-N 3.27Å; K241-N243 PolarHBondContact O-N 2.91Å; K241-K244 PolarHBondContact O-N 3.26Å; K241-D245 WeakPolarHBondContact CE-OD2 3.42Å; K241-D245 VanDerWaalsContact CG-OD2 3.26Å; K241-D245 WeakPolarHBondContact CG-OD2 3.48Å; K241-D245 PolarHBondContact O-N 2.92Å; K241-D245 VanDerWaalsContact O-N 3.12Å |
| 242 | M | 92.8 | Very high | 89.2 | Confident | 101 Ų | 101 | 113.6 Ų | 113.6 | 50% | 0.498 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -54.3 | -41.4 | -179.8 | -174 | 170.6 | 71.1 | 0 | 0 | 112.8 | K238 M239 K244 D245 Q246 | K238-M242 PolarHBondContact O-N 3.43Å; M239-M242 PolarHBondContact O-N 3.3Å; M239-M242 VanDerWaalsContact O-N 3.11Å; M242-K244 VanDerWaalsContact C-N 3.25Å; M242-K244 PolarHBondContact O-N 3.06Å; M242-D245 PolarHBondContact O-N 2.95Å; M242-Q246 PolarHBondContact O-N 3.24Å |
| 243 | N | 90.1 | Very high | 88.6 | Confident | 100 Ų | 100 | 119.9 Ų | 119.9 | 54% | 0.535 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.3 | -14.9 | 178.7 | -67.2 | 36 | 0 | 0 | 0 | 114.1 | M239 K241 | M239-N243 PolarHBondContact O-N 2.85Å; M239-N243 PolarHBondContact O-OD1 3.18Å; K241-N243 VanDerWaalsContact C-N 3.27Å; K241-N243 PolarHBondContact O-N 2.91Å |
| 244 | K | 85.5 | Confident | 88 | Confident | 179 Ų | 179 | 120.8 Ų | 120.8 | 78% | 0.778 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -27.3 | 176.9 | -172.3 | -179.4 | 175.1 | -169.5 | 0 | 112.2 | K240 K241 M242 Q246 | K240-K244 PolarHBondContact O-N 3.17Å; K241-K244 PolarHBondContact O-N 3.26Å; M242-K244 VanDerWaalsContact C-N 3.25Å; M242-K244 PolarHBondContact O-N 3.06Å; K244-Q246 VanDerWaalsContact C-N 3.31Å |
| 245 | D | 79.4 | Confident | 87.3 | Confident | 102 Ų | 102 | 122.3 Ų | 122.3 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -85.7 | -2.8 | -179.3 | -59 | -20 | 0 | 0 | 0 | 112.3 | K241 M242 | K241-D245 WeakPolarHBondContact CE-OD2 3.42Å; K241-D245 VanDerWaalsContact CG-OD2 3.26Å; K241-D245 WeakPolarHBondContact CG-OD2 3.48Å; K241-D245 PolarHBondContact O-N 2.92Å; K241-D245 VanDerWaalsContact O-N 3.12Å; M242-D245 PolarHBondContact O-N 2.95Å |
| 246 | Q | 76.6 | Confident | 86.5 | Confident | 130 Ų | 130 | 127.8 Ų | 127.8 | 61% | 0.607 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -77.2 | 126.5 | 169.3 | -67.9 | -64.7 | -9.4 | 0 | 0 | 110.2 | M242 K244 | M242-Q246 PolarHBondContact O-N 3.24Å; K244-Q246 VanDerWaalsContact C-N 3.31Å |
| 247 | P | 72.1 | Confident | 85.6 | Confident | 94 Ų | 94 | 131.8 Ų | 131.8 | 61% | 0.61 | 64% | 0.636 | S | S | * | * | trans | -62.1 | 143 | 170.1 | 27.8 | -32.8 | 0 | 0 | 0 | 109.8 | ||||
| 248 | K | 70.6 | Confident | 84.5 | Confident | 211 Ų | 211 | 133.8 Ų | 133.8 | 92% | 0.917 | 65% | 0.645 | S | S | * | * | trans | -86.2 | 105 | 160.1 | -78 | -175.2 | 172.1 | -172.6 | 0 | 106.7 | ||||
| 249 | D | 61.3 | Low | 83.3 | Confident | 222 Ų | 222 | 133.5 Ų | 133.5 | 100% | 1.187 | 65% | 0.649 | S | S | * | * | trans | -67 | 0 | 160.9 | -56.5 | -47.5 | 0 | 0 | 0 | 110.6 |
Retrieved 249 of 249 residues in 846 ms
(Link to these results)