| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.6 | Very low | 38.7 | Very low | 247 Ų | 247 | 150.6 Ų | 150.6 | 100% | 1.217 | 83% | 0.827 | S | S | * | * | 0 | 124.3 | 0 | -74.7 | -163.7 | 168.1 | 0 | 0 | 108.1 | |||||
| 2 | L | 35.1 | Very low | 38.4 | Very low | 170 Ų | 170 | 156 Ų | 156 | 89% | 0.89 | 84% | 0.836 | S | S | * | * | trans | -50.4 | 127.2 | -165.6 | -68.9 | 136.7 | 0 | 0 | 0 | 114.1 | ||||
| 3 | S | 36.1 | Very low | 38 | Very low | 111 Ų | 111 | 151.3 Ų | 151.3 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | 73.8 | 134.4 | 89.7 | -85.7 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 4 | S | 39.9 | Very low | 37.9 | Very low | 94 Ų | 94 | 149.9 Ų | 149.9 | 66% | 0.657 | 82% | 0.821 | S | S | * | * | trans | -42.6 | 149.7 | 170.3 | 62.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 5 | M | 45.9 | Very low | 37.7 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -147.9 | 130.9 | 141.4 | -91.3 | -61.5 | 98.7 | 0 | 0 | 111.9 | ||||
| 6 | A | 39.8 | Very low | 37.4 | Very low | 75 Ų | 75 | 145.1 Ų | 145.1 | 62% | 0.62 | 81% | 0.809 | S | S | * | * | trans | -84.6 | 162.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 7 | L | 40.5 | Very low | 37.1 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | 53.1 | 126.1 | 141.5 | -65.4 | 162.9 | 0 | 0 | 0 | 119.7 | ||||
| 8 | R | 38.6 | Very low | 36.8 | Very low | 245 Ų | 245 | 144.7 Ų | 144.7 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | -161.2 | 104.4 | 120.9 | -102 | 162.2 | -148.9 | -100.5 | 5.7 | 111 | |||||
| 9 | S | 33 | Very low | 36.5 | Very low | 96 Ų | 96 | 149.7 Ų | 149.7 | 67% | 0.671 | 81% | 0.813 | S | S | * | * | trans | -57.3 | 133.2 | 151.1 | 49.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 10 | A | 39.5 | Very low | 36.2 | Very low | 102 Ų | 102 | 150.2 Ų | 150.2 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -120.3 | 99.2 | 162 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 11 | F | 33.3 | Very low | 35.8 | Very low | 184 Ų | 184 | 149 Ų | 149 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | trans | -54.1 | 132.6 | 159.6 | -90.9 | -104.3 | 0 | 0 | 0 | 110 | ||||
| 12 | K | 34.7 | Very low | 34.9 | Very low | 215 Ų | 215 | 140.6 Ų | 140.6 | 94% | 0.935 | 79% | 0.788 | S | S | * | * | trans | -119.9 | 87.8 | 146.8 | -96.7 | 174.2 | 177.2 | 177 | 0 | 108.1 | ||||
| 13 | S | 33.7 | Very low | 34.9 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | trans | -82.9 | 130.3 | 151.3 | 174.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 14 | T | 35.8 | Very low | 34.7 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 170.7 | 136.5 | 143.8 | 43.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 15 | S | 35.8 | Very low | 34.2 | Very low | 101 Ų | 101 | 141.9 Ų | 141.9 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | cis | -166 | 133.3 | 4.3 | 41.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 16 | V | 31.9 | Very low | 33.5 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | trans | -2.2 | 120.6 | 140.1 | -179.5 | 0 | 0 | 0 | 0 | 115.4 | L18 | V16-L18 HydrophobicContact CG1-CB 4.48Š| ||
| 17 | V | 32.5 | Very low | 33.1 | Very low | 139 Ų | 139 | 148.5 Ų | 148.5 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | -129.5 | 91.6 | 139.3 | -179.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 18 | L | 31.8 | Very low | 32.7 | Very low | 143 Ų | 143 | 150.4 Ų | 150.4 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | trans | -76.8 | 126.3 | 153 | -87.9 | 160.1 | 0 | 0 | 0 | 107 | V16 | V16-L18 HydrophobicContact CG1-CB 4.48Š| ||
| 19 | R | 31 | Very low | 32.3 | Very low | 241 Ų | 241 | 141.9 Ų | 141.9 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | -133.1 | 107.7 | 150.8 | -143.9 | 176.1 | -171.6 | 174.4 | 2.4 | 107.9 | ||||
| 20 | E | 31.2 | Very low | 32.3 | Very low | 159 Ų | 159 | 144 Ų | 144 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | trans | -72.5 | 171.6 | 170.2 | -62 | -169.7 | 137.8 | 0 | 0 | 111.9 | ||||
| 21 | C | 26.4 | Very low | 31.7 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | 84 | 126.9 | 149.7 | -69.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 22 | G | 26.7 | Very low | 31.6 | Very low | 71 Ų | 71 | 141.5 Ų | 141.5 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | 151.7 | 66.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | L24 | G22-L24 PolarHBondContact O-N 3.33Š| ||
| 23 | V | 34.5 | Very low | 31.7 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | trans | -56.7 | 120.3 | 151.1 | 171.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 24 | L | 31.6 | Very low | 31.5 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -130.2 | 106.5 | 161.4 | -98.7 | 164.2 | 0 | 0 | 0 | 110.1 | G22 | G22-L24 PolarHBondContact O-N 3.33Š| ||
| 25 | S | 29.9 | Very low | 31.4 | Very low | 90 Ų | 90 | 144.6 Ų | 144.6 | 63% | 0.629 | 81% | 0.811 | S | S | * | * | trans | -55.5 | 143.3 | 161.7 | 49.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 26 | R | 31.3 | Very low | 31.1 | Very low | 216 Ų | 216 | 147.8 Ų | 147.8 | 82% | 0.815 | 82% | 0.819 | S | S | * | * | 59.5 | 98.7 | 127.9 | -163 | -177.8 | -84.1 | -144.8 | -2.2 | 116.4 | |||||
| 27 | L | 32.1 | Very low | 31.1 | Very low | 179 Ų | 179 | 152 Ų | 152 | 94% | 0.937 | 82% | 0.822 | S | S | * | * | trans | -125.2 | 123.8 | 142.7 | -92.1 | 163.3 | 0 | 0 | 0 | 110.1 | ||||
| 28 | K | 31.3 | Very low | 31.2 | Very low | 191 Ų | 191 | 153.9 Ų | 153.9 | 83% | 0.83 | 82% | 0.821 | S | S | * | * | trans | -62.8 | 139.4 | 172.5 | -70.4 | 165.3 | 170.1 | 176.1 | 0 | 109.1 | ||||
| 29 | G | 30.2 | Very low | 31 | Very low | 67 Ų | 67 | 150.8 Ų | 150.8 | 69% | 0.691 | 82% | 0.824 | S | S | * | * | trans | -153.7 | 79.5 | 170 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 30 | T | 32.7 | Very low | 31.2 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | trans | 29.8 | 115.2 | 151.4 | 47.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 31 | C | 27.4 | Very low | 31 | Very low | 137 Ų | 137 | 145.9 Ų | 145.9 | 93% | 0.926 | 82% | 0.824 | S | S | * | * | trans | -51.8 | 129.2 | 159.6 | -48.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 32 | A | 32 | Very low | 31.3 | Very low | 96 Ų | 96 | 145.8 Ų | 145.8 | 79% | 0.793 | 82% | 0.82 | S | S | * | * | trans | -133.4 | 106.4 | 152 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 33 | S | 35.2 | Very low | 31.6 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -68.6 | 122.9 | 172.2 | 47.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 34 | L | 31.1 | Very low | 31.6 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -128.7 | 100 | 157.4 | -100.6 | 148.4 | 0 | 0 | 0 | 109 | ||||
| 35 | R | 32.3 | Very low | 31.5 | Very low | 231 Ų | 231 | 144.6 Ų | 144.6 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | -61.4 | 131 | 159.2 | -73.3 | 175.6 | -175 | -179.6 | 2.2 | 107.5 | ||||
| 36 | L | 29.9 | Very low | 31.8 | Very low | 168 Ų | 168 | 146.3 Ų | 146.3 | 88% | 0.88 | 82% | 0.816 | S | S | * | * | trans | -124.2 | 98.4 | 147.7 | -96.8 | 110.1 | 0 | 0 | 0 | 108.5 | ||||
| 37 | R | 32.4 | Very low | 32 | Very low | 213 Ų | 213 | 139.5 Ų | 139.5 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -93.7 | 130 | 156.6 | -88.6 | -168.4 | -177.9 | -160.7 | 1.6 | 107.4 | ||||
| 38 | H | 33.5 | Very low | 32.3 | Very low | 177 Ų | 177 | 137.1 Ų | 137.1 | 82% | 0.819 | 81% | 0.809 | S | S | * | * | trans | 65.7 | 101.4 | 139.5 | -61.5 | 46.7 | 0 | 0 | 0 | 117.4 | ||||
| 39 | G | 28.7 | Very low | 32.3 | Very low | 79 Ų | 79 | 133 Ų | 133 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | -118 | 103.7 | 151 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 40 | A | 34.6 | Very low | 32.6 | Very low | 92 Ų | 92 | 139.2 Ų | 139.2 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | trans | -71.4 | 131.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 41 | F | 26.6 | Very low | 32.5 | Very low | 204 Ų | 204 | 137.8 Ų | 137.8 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -115.7 | 95.2 | 164 | -130.6 | -92.4 | 0 | 0 | 0 | 107.6 | ||||
| 42 | T | 33.8 | Very low | 33.2 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | trans | -81.8 | 121.4 | 159.1 | 45.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 43 | S | 32.3 | Very low | 33.3 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | trans | -120.8 | 105.9 | 157.7 | 59.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 44 | V | 33.9 | Very low | 33.6 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | trans | -60.2 | 130.2 | 162.7 | 170.4 | 0 | 0 | 0 | 0 | 108.4 | T46 | V44-T46 HydrophobicContact CG1-CG2 4.01Š| ||
| 45 | T | 30.7 | Very low | 33.8 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | trans | -131.9 | 118.1 | 148.8 | 55 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 46 | T | 35.8 | Very low | 33.9 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -84.2 | 124.7 | 177.9 | 40.8 | 0 | 0 | 0 | 0 | 110.7 | V44 | V44-T46 HydrophobicContact CG1-CG2 4.01Š| ||
| 47 | G | 35.8 | Very low | 34.1 | Very low | 74 Ų | 74 | 135.8 Ų | 135.8 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 57.8 | 165.5 | 151.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 48 | P | 38.5 | Very low | 34.4 | Very low | 128 Ų | 128 | 132 Ų | 132 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | cis | -132.7 | 174.8 | 19 | 36.2 | -15.5 | 0 | 0 | 0 | 116.3 | ||||
| 49 | S | 31 | Very low | 34.5 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -30.5 | 146.1 | 167.6 | 46.9 | 0 | 0 | 0 | 0 | 119.1 | S51 | S49-S51 PolarHBondContact O-N 3.2Š| ||
| 50 | H | 35.8 | Very low | 35.1 | Very low | 199 Ų | 199 | 132.4 Ų | 132.4 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -51 | 123 | 157.5 | -76 | -87 | 0 | 0 | 0 | 112.4 | ||||
| 51 | S | 31.7 | Very low | 35.2 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -148.6 | 146 | 142.9 | 61.9 | 0 | 0 | 0 | 0 | 109.2 | S49 | S49-S51 PolarHBondContact O-N 3.2Š| ||
| 52 | N | 41.6 | Very low | 36 | Very low | 147 Ų | 147 | 126 Ų | 126 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -61.6 | 144.6 | -170.3 | -54.5 | -44.7 | 0 | 0 | 0 | 112.6 | ||||
| 53 | N | 33 | Very low | 36.5 | Very low | 160 Ų | 160 | 129 Ų | 129 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | 175 | 145.8 | 117 | -84.2 | -12.1 | 0 | 0 | 0 | 111.5 | |||||
| 54 | E | 41.7 | Very low | 37.3 | Very low | 180 Ų | 180 | 129.7 Ų | 129.7 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | -56.1 | 141.8 | 171.9 | -58.6 | 173.4 | 144.2 | 0 | 0 | 111.7 | ||||
| 55 | T | 35 | Very low | 38.2 | Very low | 141 Ų | 141 | 131.6 Ų | 131.6 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | trans | -169 | 111.7 | 137 | 10.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 56 | A | 35.3 | Very low | 39.4 | Very low | 86 Ų | 86 | 133 Ų | 133 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | 18.2 | 132.4 | 139.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 57 | L | 33.7 | Very low | 40.6 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | 98.7 | 118.6 | 131.1 | -75 | 160.9 | 0 | 0 | 0 | 121.4 | ||||
| 58 | T | 40.3 | Very low | 41.8 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | 72.2 | 113.3 | 137.6 | 47.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 59 | G | 33.9 | Very low | 43.1 | Very low | 75 Ų | 75 | 136 Ų | 136 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -177.6 | 108 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G61 | G59-G61 PolarHBondContact O-N 3.04Š| ||
| 60 | I | 42.8 | Very low | 44.7 | Very low | 190 Ų | 190 | 137.9 Ų | 137.9 | 97% | 0.974 | 78% | 0.777 | S | S | * | * | trans | -60.1 | 126.6 | 179.5 | -67.6 | 164.8 | 0 | 0 | 0 | 110.6 | ||||
| 61 | G | 35.5 | Very low | 46.4 | Very low | 46 Ų | 46 | 136.9 Ų | 136.9 | 47% | 0.474 | 77% | 0.766 | S | S | . | * | trans | 173.9 | 86.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | G59 F63 | G59-G61 PolarHBondContact O-N 3.04Å; G61-F63 WeakPolarHBondContact O-CD2 3.28Å; G61-F63 PolarHBondContact O-N 3.14Å | ||
| 62 | S | 44.1 | Very low | 48.4 | Very low | 116 Ų | 116 | 136 Ų | 136 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | trans | -66.5 | 80.1 | 169 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | T64 | S62-T64 VanDerWaalsContact C-N 3.26Å; S62-T64 PolarHBondContact O-N 3.06Å | ||
| 63 | F | 43.6 | Very low | 49.7 | Very low | 185 Ų | 185 | 140 Ų | 140 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | -64.6 | 98.2 | 160.3 | -75.3 | -82 | 0 | 0 | 0 | 105.3 | G61 I65 | G61-F63 WeakPolarHBondContact O-CD2 3.28Å; G61-F63 PolarHBondContact O-N 3.14Å; F63-I65 PolarHBondContact O-N 3.04Å | ||
| 64 | T | 50.2 | Low | 51.8 | Low | 115 Ų | 115 | 138.6 Ų | 138.6 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -56.9 | 99.7 | 165.6 | 48.6 | 0 | 0 | 0 | 0 | 106.5 | S62 Q66 | S62-T64 VanDerWaalsContact C-N 3.26Å; S62-T64 PolarHBondContact O-N 3.06Å; T64-Q66 PolarHBondContact O-N 3.13Å | ||
| 65 | I | 52.7 | Low | 53.6 | Low | 160 Ų | 160 | 135.9 Ų | 135.9 | 82% | 0.821 | 76% | 0.762 | S | S | * | * | trans | -59.3 | 98.4 | 168.2 | -61.3 | 172.2 | 0 | 0 | 0 | 103.7 | F63 S67 | F63-I65 PolarHBondContact O-N 3.04Å; I65-S67 PolarHBondContact O-N 3Å | ||
| 66 | Q | 55.1 | Low | 55.5 | Low | 168 Ų | 168 | 140.2 Ų | 140.2 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -57.7 | 109.5 | 170.2 | -75.6 | -170.4 | -1.1 | 0 | 0 | 105.1 | T64 V68 | T64-Q66 PolarHBondContact O-N 3.13Å; Q66-V68 VanDerWaalsContact C-N 3.3Å; Q66-V68 PolarHBondContact O-N 3.11Å | ||
| 67 | S | 61.5 | Low | 57.5 | Low | 94 Ų | 94 | 145.2 Ų | 145.2 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | trans | -56.4 | 101.8 | 173.9 | 61.7 | 0 | 0 | 0 | 0 | 107.1 | I65 R69 | I65-S67 PolarHBondContact O-N 3Å; S67-R69 VanDerWaalsContact C-N 3.26Å; S67-R69 PolarHBondContact O-N 3.02Å | ||
| 68 | V | 61.7 | Low | 59.4 | Low | 113 Ų | 113 | 147.9 Ų | 147.9 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | trans | -66.8 | 99.7 | 172.2 | 178.8 | 0 | 0 | 0 | 0 | 103.9 | Q66 N70 | Q66-V68 VanDerWaalsContact C-N 3.3Å; Q66-V68 PolarHBondContact O-N 3.11Å; V68-N70 WeakPolarHBondContact CG1-OD1 3.49Å; V68-N70 PolarHBondContact O-N 3.44Å | ||
| 69 | R | 65.7 | Low | 60.7 | Low | 182 Ų | 182 | 150 Ų | 150 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | trans | -63.3 | 92.7 | 171.4 | -72.5 | -174.7 | 178.6 | 132 | -4 | 106.3 | S67 Y71 | S67-R69 VanDerWaalsContact C-N 3.26Å; S67-R69 PolarHBondContact O-N 3.02Å; R69-Y71 HydrophobicContact CB-CD2 4.01Å; R69-Y71 HydrophobicContact CB-CE1 4.21Å; R69-Y71 HydrophobicContact CB-CE2 3.56Å; R69-Y71 WeakPolarHBondContact CD-OH 3.37Å; R69-Y71 VanDerWaalsContact O-CD2 3.27Å; R69-Y71 WeakPolarHBondContact O-CD2 3.48Å; R69-Y71 PolarHBondContact O-N 2.89Å | ||
| 70 | N | 63.8 | Low | 62.6 | Low | 145 Ų | 145 | 151.8 Ų | 151.8 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | -67.7 | 73.6 | 169.3 | -74 | -25.9 | 0 | 0 | 0 | 107.4 | V68 A72 | V68-N70 WeakPolarHBondContact CG1-OD1 3.49Å; V68-N70 PolarHBondContact O-N 3.44Å; N70-A72 PolarHBondContact O-N 2.99Å; N70-A72 VanDerWaalsContact O-N 3.14Å | ||
| 71 | Y | 72.1 | Confident | 64.1 | Low | 178 Ų | 178 | 149 Ų | 149 | 70% | 0.698 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 120.3 | 169.4 | -61.7 | -72.1 | 0 | 0 | 0 | 106.8 | R69 R73 | R69-Y71 HydrophobicContact CB-CD2 4.01Å; R69-Y71 HydrophobicContact CB-CE1 4.21Å; R69-Y71 HydrophobicContact CB-CE2 3.56Å; R69-Y71 WeakPolarHBondContact CD-OH 3.37Å; R69-Y71 VanDerWaalsContact O-CD2 3.27Å; R69-Y71 WeakPolarHBondContact O-CD2 3.48Å; R69-Y71 PolarHBondContact O-N 2.89Å; Y71-R73 PolarHBondContact O-N 3.26Å |
| 72 | A | 72.4 | Confident | 66.1 | Low | 93 Ų | 93 | 151.3 Ų | 151.3 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 119 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | N70 V74 | N70-A72 PolarHBondContact O-N 2.99Å; N70-A72 VanDerWaalsContact O-N 3.14Å; A72-V74 PolarHBondContact O-N 2.98Å |
| 73 | R | 70.8 | Confident | 68 | Low | 230 Ų | 230 | 154.4 Ų | 154.4 | 87% | 0.868 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 118.4 | 178.9 | -156.9 | -172.6 | -61.9 | -138.6 | 4.4 | 106.3 | Y71 V75 | Y71-R73 PolarHBondContact O-N 3.26Å; R73-V75 PolarHBondContact O-N 3.3Å |
| 74 | V | 75.8 | Confident | 70.1 | Confident | 131 Ų | 131 | 148 Ų | 148 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 121.4 | -178.3 | 178.4 | 0 | 0 | 0 | 0 | 108.7 | A72 R76 | A72-V74 PolarHBondContact O-N 2.98Å; V74-R76 PolarHBondContact O-N 2.96Å |
| 75 | V | 79.4 | Confident | 72 | Confident | 122 Ų | 122 | 143.3 Ų | 143.3 | 74% | 0.739 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 118.2 | 177.6 | 176.7 | 0 | 0 | 0 | 0 | 107.4 | R73 K77 | R73-V75 PolarHBondContact O-N 3.3Å; V75-K77 VanDerWaalsContact C-N 3.3Å; V75-K77 PolarHBondContact O-N 2.84Å |
| 76 | R | 75.5 | Confident | 73.8 | Confident | 232 Ų | 232 | 136.8 Ų | 136.8 | 88% | 0.875 | 67% | 0.674 | S | S | * | * | trans | -67.3 | 94.2 | 177 | -70.8 | -173.8 | 175.6 | -175.8 | 0.3 | 107.7 | V74 K78 | V74-R76 PolarHBondContact O-N 2.96Å; R76-K78 PolarHBondContact O-N 2.92Å | ||
| 77 | K | 77.7 | Confident | 75.4 | Confident | 191 Ų | 191 | 132.2 Ų | 132.2 | 83% | 0.83 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 128.1 | 171.1 | -64.9 | -172.8 | 178.3 | -174.7 | 0 | 108.1 | V75 K79 | V75-K77 VanDerWaalsContact C-N 3.3Å; V75-K77 PolarHBondContact O-N 2.84Å; K77-K79 PolarHBondContact O-N 3.26Å |
| 78 | K | 72.2 | Confident | 76.7 | Confident | 205 Ų | 205 | 133.2 Ų | 133.2 | 89% | 0.891 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 126.9 | 170.9 | -74.6 | -179.1 | 179.8 | 177.8 | 0 | 107.1 | R76 | R76-K78 PolarHBondContact O-N 2.92Š|
| 79 | K | 69.1 | Low | 78.1 | Confident | 178 Ų | 178 | 128.7 Ų | 128.7 | 77% | 0.774 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -63 | 138.4 | 177 | -67.8 | -179.3 | -177.8 | 177.4 | 0 | 107.9 | K77 V81 | K77-K79 PolarHBondContact O-N 3.26Å; K79-V81 PolarHBondContact O-N 2.9Å |
| 80 | P | 73 | Confident | 79.4 | Confident | 114 Ų | 114 | 123.1 Ų | 123.1 | 74% | 0.74 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 138 | 175.5 | 24.4 | -32.6 | 0 | 0 | 0 | 109.3 | M82 | P80-M82 PolarHBondContact O-N 3.47Š|
| 81 | V | 73.8 | Confident | 80.7 | Confident | 130 Ų | 130 | 119.8 Ų | 119.8 | 79% | 0.788 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 120.6 | 177 | -178.1 | 0 | 0 | 0 | 0 | 107.6 | K79 K83 | K79-V81 PolarHBondContact O-N 2.9Å; V81-K83 PolarHBondContact O-N 3.27Å |
| 82 | M | 78.9 | Confident | 81.6 | Confident | 95 Ų | 95 | 116.6 Ų | 116.6 | 47% | 0.468 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 123.9 | 173.2 | -91.3 | -154.1 | 74.4 | 0 | 0 | 109 | P80 | P80-M82 PolarHBondContact O-N 3.47Š|
| 83 | K | 83.7 | Confident | 82.6 | Confident | 182 Ų | 182 | 114.8 Ų | 114.8 | 79% | 0.791 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 130.4 | 169.4 | -63 | -177.1 | 179.5 | -176.5 | 0 | 108.4 | V81 | V81-K83 PolarHBondContact O-N 3.27Š|
| 84 | S | 87.5 | Confident | 83.7 | Confident | 49 Ų | 49 | 105 Ų | 105 | 34% | 0.343 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 143.8 | 174.8 | 56.4 | 0 | 0 | 0 | 0 | 109.9 | L86 S87 E163 | S84-L86 PolarHBondContact O-N 2.92Å; S84-S87 WeakPolarHBondContact O-CB 3.34Å; S84-S87 PolarHBondContact O-N 3.49Å; S84-S87 VanDerWaalsContact O-N 3.17Å; S84-S87 PolarHBondContact O-OG 2.96Å; S84-S87 PolarHBondContact OG-N 3.4Å; S84-E163 WeakPolarHBondContact CA-OE1 3.49Å; S84-E163 WeakPolarHBondContact CB-OE2 3.38Å |
| 85 | Q | 89.3 | Confident | 84.6 | Confident | 17 Ų | 17 | 100.5 Ų | 100.5 | 8% | 0.079 | 52% | 0.515 | C | S | . | . | G | 310 helix | trans | -61.5 | -24.4 | 173.6 | -179 | -177.1 | -0.4 | 0 | 0 | 112 | S87 K129 L133 R159 E163 | Q85-S87 VanDerWaalsContact C-N 3.33Å; Q85-K129 HydrophobicContact CG-CD 4.07Å; Q85-K129 HydrophobicContact CG-CG 3.9Å; Q85-K129 VanDerWaalsContact NE2-CG 3.31Å; Q85-K129 VanDerWaalsContact O-CE 3.31Å; Q85-K129 WeakPolarHBondContact O-CE 3.4Å; Q85-K129 PolarHBondContact O-NZ 3.04Å; Q85-L133 VanDerWaalsContact NE2-CD1 3.33Å; Q85-R159 HydrophobicContact CB-CB 4.5Å; Q85-E163 WeakPolarHBondContact CB-OE1 3.36Å; Q85-E163 PolarHBondContact N-OE1 3.45Å |
| 86 | L | 91.1 | Very high | 85.1 | Confident | 23 Ų | 23 | 97.4 Ų | 97.4 | 12% | 0.12 | 49% | 0.493 | C | S | . | . | G | 310 helix | trans | -83.2 | -5.3 | 180 | -58.9 | -177.6 | 0 | 0 | 0 | 113.7 | S84 D88 L89 H122 K125 L126 K129 | S84-L86 PolarHBondContact O-N 2.92Å; L86-D88 PolarHBondContact O-N 3.44Å; L86-L89 HydrophobicContact CB-CD1 4.3Å; L86-L89 HydrophobicContact CD2-CD1 3.91Å; L86-L89 PolarHBondContact O-N 2.97Å; L86-H122 WeakPolarHBondContact CD1-CE1 3.33Å; L86-H122 WeakPolarHBondContact CD1-ND1 3.34Å; L86-K125 HydrophobicContact CD1-CB 3.89Å; L86-K125 HydrophobicContact CD2-CB 4.22Å; L86-L126 HydrophobicContact CD1-CD2 4.48Å; L86-L126 HydrophobicContact CD2-CD2 4.27Å; L86-K129 HydrophobicContact CD2-CB 3.92Å; L86-K129 HydrophobicContact CD2-CD 4.44Å; L86-K129 HydrophobicContact CD2-CG 4.26Å |
| 87 | S | 88.3 | Confident | 85.9 | Confident | 73 Ų | 73 | 91.8 Ų | 91.8 | 51% | 0.51 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -62.1 | -25.1 | 179.9 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | S84 Q85 L89 | S84-S87 WeakPolarHBondContact O-CB 3.34Å; S84-S87 PolarHBondContact O-N 3.49Å; S84-S87 VanDerWaalsContact O-N 3.17Å; S84-S87 PolarHBondContact O-OG 2.96Å; S84-S87 PolarHBondContact OG-N 3.4Å; Q85-S87 VanDerWaalsContact C-N 3.33Å; S87-L89 VanDerWaalsContact C-N 3.3Å; S87-L89 PolarHBondContact O-N 3.27Å |
| 88 | D | 89.2 | Confident | 86.6 | Confident | 115 Ų | 115 | 87.3 Ų | 87.3 | 62% | 0.615 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -80.4 | -11.6 | -176.2 | -38.2 | -36.3 | 0 | 0 | 0 | 112.8 | L86 P90 K129 | L86-D88 PolarHBondContact O-N 3.44Å; D88-P90 WeakPolarHBondContact O-CD 3.5Å; D88-K129 IonicContact OD2-NZ 3.9Å; D88-K129 PolarHBondContact OD2-NZ 2.91Å |
| 89 | L | 91.1 | Very high | 87.4 | Confident | 18 Ų | 18 | 80.1 Ų | 80.1 | 9% | 0.094 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -85.1 | 122.2 | 179.8 | -69.4 | 89.9 | 0 | 0 | 0 | 110 | L86 S87 M93 L117 L128 K129 | L86-L89 HydrophobicContact CB-CD1 4.3Å; L86-L89 HydrophobicContact CD2-CD1 3.91Å; L86-L89 PolarHBondContact O-N 2.97Å; S87-L89 VanDerWaalsContact C-N 3.3Å; S87-L89 PolarHBondContact O-N 3.27Å; L89-M93 HydrophobicContact CB-CE 4.1Å; L89-M93 HydrophobicContact CD2-CE 3.7Å; L89-M93 HydrophobicContact CG-CE 4.02Å; L89-L117 HydrophobicContact CB-CD1 4.04Å; L89-L117 HydrophobicContact CD2-CD1 3.58Å; L89-L117 HydrophobicContact CG-CD1 4.43Å; L89-L128 HydrophobicContact CD2-CB 4.28Å; L89-L128 HydrophobicContact CD2-CD2 3.73Å; L89-L128 HydrophobicContact CD2-CG 4.41Å; L89-K129 HydrophobicContact CD1-CB 4.45Å; L89-K129 HydrophobicContact CD1-CD 3.49Å; L89-K129 VanDerWaalsContact CD1-CD 3.49Å |
| 90 | P | 92.1 | Very high | 88.5 | Confident | 64 Ų | 64 | 76 Ų | 76 | 42% | 0.416 | 43% | 0.433 | S | S | . | . | trans | -69.5 | 139 | 174 | 26.4 | -29.5 | 0 | 0 | 0 | 110.2 | D88 T92 M93 | D88-P90 WeakPolarHBondContact O-CD 3.5Å; P90-T92 PolarHBondContact O-N 2.96Å; P90-M93 HydrophobicContact CG-CB 4.22Å; P90-M93 WeakPolarHBondContact O-CB 3.43Å; P90-M93 PolarHBondContact O-N 3.46Å | ||
| 91 | P | 92.4 | Very high | 89.5 | Confident | 76 Ų | 76 | 73.7 Ų | 73.7 | 49% | 0.494 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -24.6 | -177.3 | 26.1 | -33.9 | 0 | 0 | 0 | 112.9 | M93 T116 L117 E118 | P91-M93 VanDerWaalsContact C-N 3.27Å; P91-M93 PolarHBondContact O-N 3.43Å; P91-T116 WeakPolarHBondContact O-CB 3.44Å; P91-L117 CarbonylContact O-C 3.58Å; P91-L117 PolarHBondContact O-N 3.01Å; P91-E118 HydrophobicContact CB-CB 4.15Å; P91-E118 PolarHBondContact O-N 3.19Å |
| 92 | T | 91.1 | Very high | 90.2 | Very high | 110 Ų | 110 | 72.2 Ų | 72.2 | 68% | 0.675 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -10 | -179.8 | 51.7 | 0 | 0 | 0 | 0 | 114.1 | P90 T116 | P90-T92 PolarHBondContact O-N 2.96Å; T92-T116 WeakPolarHBondContact O-CG2 3.49Å |
| 93 | M | 92.4 | Very high | 90.9 | Very high | 55 Ų | 55 | 74.2 Ų | 74.2 | 27% | 0.271 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -66.8 | 143.2 | 179.3 | -172.1 | 162.6 | 58.2 | 0 | 0 | 110.9 | L89 P90 P91 T116 L117 L128 | L89-M93 HydrophobicContact CB-CE 4.1Å; L89-M93 HydrophobicContact CD2-CE 3.7Å; L89-M93 HydrophobicContact CG-CE 4.02Å; P90-M93 HydrophobicContact CG-CB 4.22Å; P90-M93 WeakPolarHBondContact O-CB 3.43Å; P90-M93 PolarHBondContact O-N 3.46Å; P91-M93 VanDerWaalsContact C-N 3.27Å; P91-M93 PolarHBondContact O-N 3.43Å; M93-T116 CarbonylContact O-C 3.52Å; M93-T116 VanDerWaalsContact O-CA 3.31Å; M93-T116 WeakPolarHBondContact O-CA 3.41Å; M93-L117 HydrophobicContact CB-CD1 4.06Å; M93-L117 HydrophobicContact CB-CG 4.31Å; M93-L117 HydrophobicContact CE-CD1 3.44Å; M93-L117 VanDerWaalsContact CE-CD1 3.44Å; M93-L117 WeakPolarHBondContact O-CG 3.35Å; M93-L117 PolarHBondContact O-N 3.13Å; M93-L128 HydrophobicContact CE-CD1 3.68Å; M93-L128 HydrophobicContact CE-CD2 3.52Å; M93-L128 HydrophobicContact CE-CG 4.26Å; M93-L128 HydrophobicContact SD-CD1 4.35Å; M93-L128 HydrophobicContact SD-CD2 4.36Å |
| 94 | L | 93.5 | Very high | 91.1 | Very high | 26 Ų | 26 | 65.9 Ų | 65.9 | 14% | 0.136 | 39% | 0.387 | C | S | . | . | B | Isolated β-bridge | trans | -68.8 | 149.2 | 175.4 | -69.8 | 175 | 0 | 0 | 0 | 111.3 | A104 Q105 L115 | L94-A104 HydrophobicContact CD1-CB 4.32Å; L94-Q105 HydrophobicContact CD1-CG 4.11Å; L94-L115 HydrophobicContact CD2-CB 3.86Å |
| 95 | K | 94.4 | Very high | 91.1 | Very high | 36 Ų | 36 | 69.8 Ų | 69.8 | 16% | 0.157 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 142.5 | 166.4 | -71.8 | 165.8 | -171.1 | 176 | 0 | 109.6 | E97 Y98 A99 L114 L115 T116 L117 A120 E124 | K95-E97 VanDerWaalsContact C-N 3.27Å; K95-E97 PolarHBondContact O-N 3.04Å; K95-E97 VanDerWaalsContact O-N 3.17Å; K95-Y98 HydrophobicContact CB-CD2 3.89Å; K95-Y98 HydrophobicContact CB-CE2 4.46Å; K95-Y98 HydrophobicContact CD-CD2 4.48Å; K95-Y98 HydrophobicContact CD-CE2 4.38Å; K95-Y98 PolarHBondContact O-N 3.47Å; K95-A99 PolarHBondContact O-N 2.96Å; K95-L114 PolarHBondContact NZ-O 3.33Å; K95-L115 WeakPolarHBondContact CB-O 3.28Å; K95-L115 VanDerWaalsContact CG-O 3.27Å; K95-L115 WeakPolarHBondContact CG-O 3.28Å; K95-L115 PolarHBondContact N-O 3.38Å; K95-T116 WeakPolarHBondContact CE-O 3.29Å; K95-L117 HydrophobicContact CG-CD2 4.37Å; K95-A120 HydrophobicContact CD-CB 4.48Å; K95-A120 HydrophobicContact CG-CB 4.13Å; K95-E124 VanDerWaalsContact CD-OE2 3.27Å; K95-E124 WeakPolarHBondContact CD-OE2 3.28Å; K95-E124 WeakPolarHBondContact CE-OE2 3.48Å; K95-E124 IonicContact NZ-OE2 3.24Å |
| 96 | M | 91.9 | Very high | 91.3 | Very high | 56 Ų | 56 | 74.7 Ų | 74.7 | 28% | 0.276 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -50 | -42.7 | -175.3 | -173.3 | -176.4 | 92.5 | 0 | 0 | 113.9 | Y98 A99 K127 E131 | M96-Y98 VanDerWaalsContact C-N 3.27Å; M96-Y98 PolarHBondContact O-N 3.16Å; M96-A99 PolarHBondContact O-N 3.3Å; M96-K127 HydrophobicContact CE-CB 4.24Å; M96-K127 HydrophobicContact CE-CD 4.27Å; M96-K127 HydrophobicContact SD-CB 3.94Å; M96-E131 WeakPolarHBondContact CG-OE2 3.21Å; M96-E131 HydrophobicContact SD-CG 3.71Å |
| 97 | E | 90.8 | Very high | 91.4 | Very high | 114 Ų | 114 | 75.1 Ų | 75.1 | 53% | 0.533 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -67 | -26.8 | -176.2 | -65.7 | 167.2 | -166.8 | 0 | 0 | 112.8 | K95 K127 | K95-E97 VanDerWaalsContact C-N 3.27Å; K95-E97 PolarHBondContact O-N 3.04Å; K95-E97 VanDerWaalsContact O-N 3.17Å; E97-K127 IonicContact OE1-NZ 3Å; E97-K127 PolarHBondContact OE1-NZ 2.98Å |
| 98 | Y | 91.9 | Very high | 91.7 | Very high | 97 Ų | 97 | 77.6 Ų | 77.6 | 38% | 0.38 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -102 | -8.5 | -177 | -57 | -82.7 | 0 | 0 | 0 | 113.1 | K95 M96 A100 V101 L115 | K95-Y98 HydrophobicContact CB-CD2 3.89Å; K95-Y98 HydrophobicContact CB-CE2 4.46Å; K95-Y98 HydrophobicContact CD-CD2 4.48Å; K95-Y98 HydrophobicContact CD-CE2 4.38Å; K95-Y98 PolarHBondContact O-N 3.47Å; M96-Y98 VanDerWaalsContact C-N 3.27Å; M96-Y98 PolarHBondContact O-N 3.16Å; Y98-A100 VanDerWaalsContact C-N 3.25Å; Y98-A100 PolarHBondContact O-N 3.03Å; Y98-V101 PolarHBondContact O-N 3.49Å; Y98-V101 VanDerWaalsContact O-N 3.14Å; Y98-L115 HydrophobicContact CD1-CD2 3.97Å; Y98-L115 HydrophobicContact CD2-CD2 3.94Å; Y98-L115 HydrophobicContact CE1-CD2 3.96Å; Y98-L115 HydrophobicContact CE2-CD2 3.94Å; Y98-L115 HydrophobicContact CG-CD2 3.95Å |
| 99 | A | 91 | Very high | 91.9 | Very high | 55 Ų | 55 | 78.6 Ų | 78.6 | 46% | 0.455 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -31.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | K95 M96 V101 | K95-A99 PolarHBondContact O-N 2.96Å; M96-A99 PolarHBondContact O-N 3.3Å; A99-V101 VanDerWaalsContact C-N 3.32Å |
| 100 | A | 90.3 | Very high | 92 | Very high | 92 Ų | 92 | 84.4 Ų | 84.4 | 76% | 0.76 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -13.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y98 P102 | Y98-A100 VanDerWaalsContact C-N 3.25Å; Y98-A100 PolarHBondContact O-N 3.03Å; A100-P102 WeakPolarHBondContact O-CD 3.29Å |
| 101 | V | 93.9 | Very high | 92.1 | Very high | 65 Ų | 65 | 84.3 Ų | 84.3 | 39% | 0.394 | 48% | 0.479 | S | S | . | . | trans | -92.9 | 112.7 | -174.7 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | Y98 A99 L103 A104 | Y98-V101 PolarHBondContact O-N 3.49Å; Y98-V101 VanDerWaalsContact O-N 3.14Å; A99-V101 VanDerWaalsContact C-N 3.32Å; V101-L103 HydrophobicContact CG1-CB 4.07Å; V101-L103 PolarHBondContact O-N 3.11Å; V101-A104 HydrophobicContact CB-CB 4.43Å; V101-A104 WeakPolarHBondContact O-CB 3.42Å; V101-A104 PolarHBondContact O-N 3.08Å; V101-A104 VanDerWaalsContact O-N 3.09Å | ||
| 102 | P | 90.3 | Very high | 92.2 | Very high | 99 Ų | 99 | 85 Ų | 85 | 64% | 0.643 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -32.8 | -177.4 | -24.1 | 35.2 | 0 | 0 | 0 | 113.3 | A100 A104 Q105 T106 | A100-P102 WeakPolarHBondContact O-CD 3.29Å; P102-A104 PolarHBondContact O-N 3.36Å; P102-Q105 PolarHBondContact O-N 3.42Å; P102-T106 PolarHBondContact O-OG1 3.39Å |
| 103 | L | 91.6 | Very high | 92.3 | Very high | 137 Ų | 137 | 86 Ų | 86 | 72% | 0.717 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.8 | -28.2 | 178.1 | -63.2 | 174.3 | 0 | 0 | 0 | 112.7 | V101 Q105 T106 A107 | V101-L103 HydrophobicContact CG1-CB 4.07Å; V101-L103 PolarHBondContact O-N 3.11Å; L103-Q105 PolarHBondContact O-N 2.99Å; L103-T106 PolarHBondContact O-N 3.41Å; L103-T106 VanDerWaalsContact O-N 3.13Å; L103-A107 PolarHBondContact O-N 3.02Å |
| 104 | A | 89.2 | Confident | 92.3 | Very high | 7 Ų | 7 | 88.4 Ų | 88.4 | 6% | 0.058 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -65.4 | -24.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L94 V101 P102 L115 | L94-A104 HydrophobicContact CD1-CB 4.32Å; V101-A104 HydrophobicContact CB-CB 4.43Å; V101-A104 WeakPolarHBondContact O-CB 3.42Å; V101-A104 PolarHBondContact O-N 3.08Å; V101-A104 VanDerWaalsContact O-N 3.09Å; P102-A104 PolarHBondContact O-N 3.36Å; A104-L115 HydrophobicContact CB-CD1 4.1Å |
| 105 | Q | 87.6 | Confident | 92.4 | Very high | 131 Ų | 131 | 88.5 Ų | 88.5 | 61% | 0.612 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -84.9 | -23 | 177.3 | -61.1 | -178 | 10 | 0 | 0 | 112.8 | L94 P102 L103 | L94-Q105 HydrophobicContact CD1-CG 4.11Å; P102-Q105 PolarHBondContact O-N 3.42Å; L103-Q105 PolarHBondContact O-N 2.99Å |
| 106 | T | 92.8 | Very high | 92.3 | Very high | 119 Ų | 119 | 87.2 Ų | 87.2 | 73% | 0.73 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -94.4 | -12.5 | -174.1 | -36.1 | 0 | 0 | 0 | 0 | 112.1 | P102 L103 | P102-T106 PolarHBondContact O-OG1 3.39Å; L103-T106 PolarHBondContact O-N 3.41Å; L103-T106 VanDerWaalsContact O-N 3.13Å |
| 107 | A | 92.6 | Very high | 92.5 | Very high | 33 Ų | 33 | 84.7 Ų | 84.7 | 27% | 0.273 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -66.5 | 160.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L103 V111 | L103-A107 PolarHBondContact O-N 3.02Å; A107-V111 HydrophobicContact CB-CB 4.06Å; A107-V111 HydrophobicContact CB-CG1 3.9Å |
| 108 | D | 95.9 | Very high | 92.6 | Very high | 125 Ų | 125 | 83.5 Ų | 83.5 | 67% | 0.668 | 46% | 0.457 | S | S | * | . | trans | -51.8 | 151.5 | 176.2 | -60 | -28.5 | 0 | 0 | 0 | 112.6 | L110 V111 K112 | D108-L110 PolarHBondContact O-N 3.33Å; D108-L110 VanDerWaalsContact O-N 3.12Å; D108-V111 HydrophobicContact CB-CG2 4.43Å; D108-V111 PolarHBondContact O-N 3.07Å; D108-K112 WeakPolarHBondContact O-CB 3.44Å; D108-K112 PolarHBondContact O-N 3.09Å | ||
| 109 | D | 92.4 | Very high | 92.7 | Very high | 136 Ų | 136 | 83.1 Ų | 83.1 | 73% | 0.727 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -56.7 | -34.5 | -177 | -69.8 | -34.2 | 0 | 0 | 0 | 113.5 | R113 | D109-R113 WeakPolarHBondContact O-CB 3.36Å; D109-R113 PolarHBondContact O-N 3.5Å |
| 110 | L | 93.9 | Very high | 92.9 | Very high | 139 Ų | 139 | 81 Ų | 81 | 73% | 0.728 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -65.3 | -47.9 | 175.5 | -66.6 | 179 | 0 | 0 | 0 | 111.7 | D108 K112 R113 L114 | D108-L110 PolarHBondContact O-N 3.33Å; D108-L110 VanDerWaalsContact O-N 3.12Å; L110-K112 VanDerWaalsContact C-N 3.35Å; L110-R113 WeakPolarHBondContact O-CB 3.48Å; L110-R113 PolarHBondContact O-N 2.92Å; L110-L114 WeakPolarHBondContact O-CG 3.4Å; L110-L114 PolarHBondContact O-N 2.92Å; L110-L114 VanDerWaalsContact O-N 3.12Å |
| 111 | V | 94.2 | Very high | 93.2 | Very high | 63 Ų | 63 | 78.8 Ų | 78.8 | 38% | 0.382 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 178.2 | 178.4 | 0 | 0 | 0 | 0 | 109.6 | A107 D108 R113 L114 L115 | A107-V111 HydrophobicContact CB-CB 4.06Å; A107-V111 HydrophobicContact CB-CG1 3.9Å; D108-V111 HydrophobicContact CB-CG2 4.43Å; D108-V111 PolarHBondContact O-N 3.07Å; V111-R113 VanDerWaalsContact C-N 3.29Å; V111-R113 PolarHBondContact O-N 3.07Å; V111-L114 WeakPolarHBondContact O-CB 3.32Å; V111-L114 PolarHBondContact O-N 3.36Å; V111-L114 VanDerWaalsContact O-N 3.12Å; V111-L115 HydrophobicContact CG1-CD1 4.17Å; V111-L115 WeakPolarHBondContact O-CG 3.35Å; V111-L115 PolarHBondContact O-N 2.98Å; V111-L115 VanDerWaalsContact O-N 3.12Å |
| 112 | K | 93.6 | Very high | 93.2 | Very high | 90 Ų | 90 | 80.1 Ų | 80.1 | 39% | 0.391 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -54.3 | -46.5 | 174.7 | -173.5 | 175.4 | -179.5 | 174.8 | 0 | 111.1 | D108 L110 L114 L115 T116 | D108-K112 WeakPolarHBondContact O-CB 3.44Å; D108-K112 PolarHBondContact O-N 3.09Å; L110-K112 VanDerWaalsContact C-N 3.35Å; K112-L114 PolarHBondContact O-N 2.94Å; K112-L115 PolarHBondContact O-N 3.22Å; K112-L115 VanDerWaalsContact O-N 3.15Å; K112-T116 WeakPolarHBondContact O-CG2 3.37Å; K112-T116 PolarHBondContact O-N 3.36Å; K112-T116 VanDerWaalsContact O-N 3.17Å |
| 113 | R | 93.9 | Very high | 93.4 | Very high | 131 Ų | 131 | 78.7 Ų | 78.7 | 49% | 0.494 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 176.7 | -167.2 | 176.2 | -176.3 | -169.9 | -3 | 112.6 | D109 L110 V111 L115 T116 E118 L119 | D109-R113 WeakPolarHBondContact O-CB 3.36Å; D109-R113 PolarHBondContact O-N 3.5Å; L110-R113 WeakPolarHBondContact O-CB 3.48Å; L110-R113 PolarHBondContact O-N 2.92Å; V111-R113 VanDerWaalsContact C-N 3.29Å; V111-R113 PolarHBondContact O-N 3.07Å; R113-L115 PolarHBondContact O-N 3.48Å; R113-T116 PolarHBondContact O-N 2.93Å; R113-T116 VanDerWaalsContact O-N 3.13Å; R113-T116 PolarHBondContact O-OG1 3.47Å; R113-E118 IonicContact CZ-OE1 3.7Å; R113-E118 IonicContact CZ-OE2 3.56Å; R113-E118 IonicContact NE-OE1 3.22Å; R113-E118 PolarHBondContact NE-OE1 2.99Å; R113-E118 IonicContact NE-OE2 3.47Å; R113-E118 PolarHBondContact NE-OE2 3.38Å; R113-E118 IonicContact NH2-OE1 3.74Å; R113-E118 PolarHBondContact NH2-OE1 3.31Å; R113-E118 IonicContact NH2-OE2 2.78Å; R113-L119 HydrophobicContact CG-CD1 4.15Å |
| 114 | L | 93.4 | Very high | 93.6 | Very high | 106 Ų | 106 | 74.6 Ų | 74.6 | 56% | 0.555 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.1 | -30.5 | 176.6 | -66.6 | 173.9 | 0 | 0 | 0 | 113.3 | K95 L110 V111 K112 L119 | K95-L114 PolarHBondContact NZ-O 3.33Å; L110-L114 WeakPolarHBondContact O-CG 3.4Å; L110-L114 PolarHBondContact O-N 2.92Å; L110-L114 VanDerWaalsContact O-N 3.12Å; V111-L114 WeakPolarHBondContact O-CB 3.32Å; V111-L114 PolarHBondContact O-N 3.36Å; V111-L114 VanDerWaalsContact O-N 3.12Å; K112-L114 PolarHBondContact O-N 2.94Å; L114-L119 HydrophobicContact CD2-CD1 3.9Å |
| 115 | L | 93.9 | Very high | 93.9 | Very high | 27 Ų | 27 | 77.1 Ų | 77.1 | 14% | 0.141 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -86 | -8.1 | 178.1 | -60.5 | 178.5 | 0 | 0 | 0 | 113.5 | L94 K95 Y98 A104 V111 K112 R113 | L94-L115 HydrophobicContact CD2-CB 3.86Å; K95-L115 WeakPolarHBondContact CB-O 3.28Å; K95-L115 VanDerWaalsContact CG-O 3.27Å; K95-L115 WeakPolarHBondContact CG-O 3.28Å; K95-L115 PolarHBondContact N-O 3.38Å; Y98-L115 HydrophobicContact CD1-CD2 3.97Å; Y98-L115 HydrophobicContact CD2-CD2 3.94Å; Y98-L115 HydrophobicContact CE1-CD2 3.96Å; Y98-L115 HydrophobicContact CE2-CD2 3.94Å; Y98-L115 HydrophobicContact CG-CD2 3.95Å; A104-L115 HydrophobicContact CB-CD1 4.1Å; V111-L115 HydrophobicContact CG1-CD1 4.17Å; V111-L115 WeakPolarHBondContact O-CG 3.35Å; V111-L115 PolarHBondContact O-N 2.98Å; V111-L115 VanDerWaalsContact O-N 3.12Å; K112-L115 PolarHBondContact O-N 3.22Å; K112-L115 VanDerWaalsContact O-N 3.15Å; R113-L115 PolarHBondContact O-N 3.48Å |
| 116 | T | 94.2 | Very high | 94.3 | Very high | 9 Ų | 9 | 72.4 Ų | 72.4 | 6% | 0.055 | 38% | 0.383 | C | S | . | . | B | Isolated β-bridge | trans | -80.2 | 165.9 | 179.1 | 67.1 | 0 | 0 | 0 | 0 | 114.2 | P91 T92 M93 K95 K112 R113 E118 A120 | P91-T116 WeakPolarHBondContact O-CB 3.44Å; T92-T116 WeakPolarHBondContact O-CG2 3.49Å; M93-T116 CarbonylContact O-C 3.52Å; M93-T116 VanDerWaalsContact O-CA 3.31Å; M93-T116 WeakPolarHBondContact O-CA 3.41Å; K95-T116 WeakPolarHBondContact CE-O 3.29Å; K112-T116 WeakPolarHBondContact O-CG2 3.37Å; K112-T116 PolarHBondContact O-N 3.36Å; K112-T116 VanDerWaalsContact O-N 3.17Å; R113-T116 PolarHBondContact O-N 2.93Å; R113-T116 VanDerWaalsContact O-N 3.13Å; R113-T116 PolarHBondContact O-OG1 3.47Å; T116-E118 VanDerWaalsContact C-N 3.25Å; T116-E118 PolarHBondContact O-N 3.37Å; T116-A120 PolarHBondContact O-N 3.27Å |
| 117 | L | 94.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 71.1 Ų | 71.1 | 2% | 0.016 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -69.5 | -17.7 | 174.1 | -72 | -170.4 | 0 | 0 | 0 | 114.3 | L89 P91 M93 K95 L119 A120 K125 L128 | L89-L117 HydrophobicContact CB-CD1 4.04Å; L89-L117 HydrophobicContact CD2-CD1 3.58Å; L89-L117 HydrophobicContact CG-CD1 4.43Å; P91-L117 CarbonylContact O-C 3.58Å; P91-L117 PolarHBondContact O-N 3.01Å; M93-L117 HydrophobicContact CB-CD1 4.06Å; M93-L117 HydrophobicContact CB-CG 4.31Å; M93-L117 HydrophobicContact CE-CD1 3.44Å; M93-L117 VanDerWaalsContact CE-CD1 3.44Å; M93-L117 WeakPolarHBondContact O-CG 3.35Å; M93-L117 PolarHBondContact O-N 3.13Å; K95-L117 HydrophobicContact CG-CD2 4.37Å; L117-L119 VanDerWaalsContact C-N 3.27Å; L117-L119 PolarHBondContact O-N 3.39Å; L117-A120 HydrophobicContact CB-CB 4.47Å; L117-A120 HydrophobicContact CD2-CB 3.86Å; L117-A120 PolarHBondContact O-N 2.91Å; L117-K125 HydrophobicContact CD2-CG 4.29Å; L117-K125 WeakPolarHBondContact O-CE 3.32Å; L117-K125 PolarHBondContact O-NZ 3.34Å; L117-K125 VanDerWaalsContact O-NZ 3.14Å; L117-L128 HydrophobicContact CD1-CD1 4.15Å; L117-L128 HydrophobicContact CD2-CD1 4.27Å |
| 118 | E | 93.6 | Very high | 94.5 | Very high | 89 Ų | 89 | 70.4 Ų | 70.4 | 42% | 0.416 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -50.5 | 175 | -169.9 | -169.5 | 160.2 | 0 | 0 | 109.8 | P91 R113 T116 | P91-E118 HydrophobicContact CB-CB 4.15Å; P91-E118 PolarHBondContact O-N 3.19Å; R113-E118 IonicContact CZ-OE1 3.7Å; R113-E118 IonicContact CZ-OE2 3.56Å; R113-E118 IonicContact NE-OE1 3.22Å; R113-E118 PolarHBondContact NE-OE1 2.99Å; R113-E118 IonicContact NE-OE2 3.47Å; R113-E118 PolarHBondContact NE-OE2 3.38Å; R113-E118 IonicContact NH2-OE1 3.74Å; R113-E118 PolarHBondContact NH2-OE1 3.31Å; R113-E118 IonicContact NH2-OE2 2.78Å; T116-E118 VanDerWaalsContact C-N 3.25Å; T116-E118 PolarHBondContact O-N 3.37Å |
| 119 | L | 93.7 | Very high | 94.5 | Very high | 89 Ų | 89 | 65.2 Ų | 65.2 | 47% | 0.466 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 6.6 | -178.5 | -56.6 | -177.6 | 0 | 0 | 0 | 113.4 | R113 L114 L117 | R113-L119 HydrophobicContact CG-CD1 4.15Å; L114-L119 HydrophobicContact CD2-CD1 3.9Å; L117-L119 VanDerWaalsContact C-N 3.27Å; L117-L119 PolarHBondContact O-N 3.39Å |
| 120 | A | 95.6 | Very high | 94.7 | Very high | 11 Ų | 11 | 60.2 Ų | 60.2 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | trans | -76.3 | 148.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | K95 T116 L117 E124 K125 | K95-A120 HydrophobicContact CD-CB 4.48Å; K95-A120 HydrophobicContact CG-CB 4.13Å; T116-A120 PolarHBondContact O-N 3.27Å; L117-A120 HydrophobicContact CB-CB 4.47Å; L117-A120 HydrophobicContact CD2-CB 3.86Å; L117-A120 PolarHBondContact O-N 2.91Å; A120-E124 WeakPolarHBondContact CA-OE2 3.31Å; A120-E124 HydrophobicContact CB-CB 4.05Å; A120-E124 WeakPolarHBondContact CB-OE2 3.45Å; A120-K125 HydrophobicContact CB-CG 4.43Å; A120-K125 WeakPolarHBondContact O-CE 3.44Å | ||
| 121 | S | 95.7 | Very high | 94.8 | Very high | 46 Ų | 46 | 56.2 Ų | 56.2 | 32% | 0.322 | 28% | 0.282 | S | S | . | . | trans | -66.8 | 159.1 | 172.1 | 67 | 0 | 0 | 0 | 0 | 111.9 | S123 E124 K125 | S121-S123 PolarHBondContact O-N 2.82Å; S121-S123 PolarHBondContact OG-OG 3.47Å; S121-E124 PolarHBondContact O-N 3.38Å; S121-E124 WeakPolarHBondContact OG-CG 3.41Å; S121-E124 PolarHBondContact OG-N 2.99Å; S121-E124 PolarHBondContact OG-OE1 2.97Å; S121-K125 PolarHBondContact O-N 3.46Å | ||
| 122 | H | 94.1 | Very high | 94.8 | Very high | 92 Ų | 92 | 56.8 Ų | 56.8 | 43% | 0.426 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.6 | -33.9 | 178 | -172.3 | 74 | 0 | 0 | 0 | 112.2 | L86 K125 L126 N160 | L86-H122 WeakPolarHBondContact CD1-CE1 3.33Å; L86-H122 WeakPolarHBondContact CD1-ND1 3.34Å; H122-K125 PolarHBondContact O-N 3.02Å; H122-L126 WeakPolarHBondContact O-CG 3.42Å; H122-L126 PolarHBondContact O-N 2.81Å; H122-N160 PolarHBondContact NE2-OD1 2.98Å |
| 123 | S | 95.3 | Very high | 94.9 | Very high | 69 Ų | 69 | 52.9 Ų | 52.9 | 48% | 0.483 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 176.9 | 50.3 | 0 | 0 | 0 | 0 | 112.2 | S121 L126 K127 | S121-S123 PolarHBondContact O-N 2.82Å; S121-S123 PolarHBondContact OG-OG 3.47Å; S123-L126 WeakPolarHBondContact O-CB 3.45Å; S123-L126 PolarHBondContact O-N 3.48Å; S123-K127 WeakPolarHBondContact O-CG 3.46Å; S123-K127 PolarHBondContact O-N 3.31Å |
| 124 | E | 95.3 | Very high | 95 | Very high | 52 Ų | 52 | 46.8 Ų | 46.8 | 24% | 0.243 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.6 | -44.1 | 174.4 | -75.4 | 157.6 | -128.5 | 0 | 0 | 111.9 | K95 A120 S121 L126 K127 L128 | K95-E124 VanDerWaalsContact CD-OE2 3.27Å; K95-E124 WeakPolarHBondContact CD-OE2 3.28Å; K95-E124 WeakPolarHBondContact CE-OE2 3.48Å; K95-E124 IonicContact NZ-OE2 3.24Å; A120-E124 WeakPolarHBondContact CA-OE2 3.31Å; A120-E124 HydrophobicContact CB-CB 4.05Å; A120-E124 WeakPolarHBondContact CB-OE2 3.45Å; S121-E124 PolarHBondContact O-N 3.38Å; S121-E124 WeakPolarHBondContact OG-CG 3.41Å; S121-E124 PolarHBondContact OG-N 2.99Å; S121-E124 PolarHBondContact OG-OE1 2.97Å; E124-L126 VanDerWaalsContact C-N 3.28Å; E124-L126 PolarHBondContact O-N 3.34Å; E124-K127 WeakPolarHBondContact O-CB 3.41Å; E124-K127 PolarHBondContact O-N 3.28Å; E124-L128 PolarHBondContact O-N 3.36Å; E124-L128 VanDerWaalsContact O-N 3.08Å |
| 125 | K | 95.8 | Very high | 95.1 | Very high | 60 Ų | 60 | 44.5 Ų | 44.5 | 26% | 0.261 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60 | -41.4 | 174.9 | -63.8 | 177.2 | -173.7 | -175.1 | 0 | 111.4 | L86 L117 A120 S121 H122 K129 | L86-K125 HydrophobicContact CD1-CB 3.89Å; L86-K125 HydrophobicContact CD2-CB 4.22Å; L117-K125 HydrophobicContact CD2-CG 4.29Å; L117-K125 WeakPolarHBondContact O-CE 3.32Å; L117-K125 PolarHBondContact O-NZ 3.34Å; L117-K125 VanDerWaalsContact O-NZ 3.14Å; A120-K125 HydrophobicContact CB-CG 4.43Å; A120-K125 WeakPolarHBondContact O-CE 3.44Å; S121-K125 PolarHBondContact O-N 3.46Å; H122-K125 PolarHBondContact O-N 3.02Å; K125-K129 PolarHBondContact O-N 3.24Å |
| 126 | L | 95.8 | Very high | 95.2 | Very high | 32 Ų | 32 | 48.5 Ų | 48.5 | 17% | 0.168 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 175.3 | -74.9 | 174.3 | 0 | 0 | 0 | 112.2 | L86 H122 S123 E124 L128 K129 T130 N160 | L86-L126 HydrophobicContact CD1-CD2 4.48Å; L86-L126 HydrophobicContact CD2-CD2 4.27Å; H122-L126 WeakPolarHBondContact O-CG 3.42Å; H122-L126 PolarHBondContact O-N 2.81Å; S123-L126 WeakPolarHBondContact O-CB 3.45Å; S123-L126 PolarHBondContact O-N 3.48Å; E124-L126 VanDerWaalsContact C-N 3.28Å; E124-L126 PolarHBondContact O-N 3.34Å; L126-L128 VanDerWaalsContact C-N 3.32Å; L126-L128 PolarHBondContact O-N 3.05Å; L126-K129 PolarHBondContact O-N 2.97Å; L126-T130 WeakPolarHBondContact O-CG2 3.29Å; L126-T130 PolarHBondContact O-N 3.49Å; L126-N160 HydrophobicContact CD1-CB 4.39Å; L126-N160 HydrophobicContact CD2-CB 3.97Å |
| 127 | K | 95.1 | Very high | 95.3 | Very high | 92 Ų | 92 | 48.3 Ų | 48.3 | 40% | 0.4 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -53 | -52.7 | 175.6 | -73.9 | 177.7 | 179.9 | 179.4 | 0 | 109.8 | M96 E97 S123 E124 K129 T130 E131 | M96-K127 HydrophobicContact CE-CB 4.24Å; M96-K127 HydrophobicContact CE-CD 4.27Å; M96-K127 HydrophobicContact SD-CB 3.94Å; E97-K127 IonicContact OE1-NZ 3Å; E97-K127 PolarHBondContact OE1-NZ 2.98Å; S123-K127 WeakPolarHBondContact O-CG 3.46Å; S123-K127 PolarHBondContact O-N 3.31Å; E124-K127 WeakPolarHBondContact O-CB 3.41Å; E124-K127 PolarHBondContact O-N 3.28Å; K127-K129 PolarHBondContact O-N 3.3Å; K127-T130 WeakPolarHBondContact O-CA 2.99Å; K127-T130 WeakPolarHBondContact O-CB 3.47Å; K127-T130 PolarHBondContact O-N 3.35Å; K127-T130 PolarHBondContact O-OG1 3.34Å; K127-E131 WeakPolarHBondContact O-CG 3.33Å; K127-E131 PolarHBondContact O-N 2.89Å |
| 128 | L | 95.1 | Very high | 95.3 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 9% | 0.089 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.6 | -46 | -179.9 | -160.3 | 156.9 | 0 | 0 | 0 | 112 | L89 M93 L117 E124 L126 T130 E131 Q132 | L89-L128 HydrophobicContact CD2-CB 4.28Å; L89-L128 HydrophobicContact CD2-CD2 3.73Å; L89-L128 HydrophobicContact CD2-CG 4.41Å; M93-L128 HydrophobicContact CE-CD1 3.68Å; M93-L128 HydrophobicContact CE-CD2 3.52Å; M93-L128 HydrophobicContact CE-CG 4.26Å; M93-L128 HydrophobicContact SD-CD1 4.35Å; M93-L128 HydrophobicContact SD-CD2 4.36Å; L117-L128 HydrophobicContact CD1-CD1 4.15Å; L117-L128 HydrophobicContact CD2-CD1 4.27Å; E124-L128 PolarHBondContact O-N 3.36Å; E124-L128 VanDerWaalsContact O-N 3.08Å; L126-L128 VanDerWaalsContact C-N 3.32Å; L126-L128 PolarHBondContact O-N 3.05Å; L128-T130 VanDerWaalsContact C-N 3.27Å; L128-T130 PolarHBondContact O-N 3.07Å; L128-E131 PolarHBondContact O-N 3.23Å; L128-E131 VanDerWaalsContact O-N 3.17Å; L128-Q132 HydrophobicContact CD2-CG 3.92Å; L128-Q132 WeakPolarHBondContact O-CG 3.44Å; L128-Q132 PolarHBondContact O-N 3.38Å |
| 129 | K | 95.8 | Very high | 95.2 | Very high | 16 Ų | 16 | 52.2 Ų | 52.2 | 7% | 0.07 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.8 | -34 | 175.9 | -163.6 | 83.4 | -165.8 | -165.4 | 0 | 112.2 | Q85 L86 D88 L89 K125 L126 K127 L133 | Q85-K129 HydrophobicContact CG-CD 4.07Å; Q85-K129 HydrophobicContact CG-CG 3.9Å; Q85-K129 VanDerWaalsContact NE2-CG 3.31Å; Q85-K129 VanDerWaalsContact O-CE 3.31Å; Q85-K129 WeakPolarHBondContact O-CE 3.4Å; Q85-K129 PolarHBondContact O-NZ 3.04Å; L86-K129 HydrophobicContact CD2-CB 3.92Å; L86-K129 HydrophobicContact CD2-CD 4.44Å; L86-K129 HydrophobicContact CD2-CG 4.26Å; D88-K129 IonicContact OD2-NZ 3.9Å; D88-K129 PolarHBondContact OD2-NZ 2.91Å; L89-K129 HydrophobicContact CD1-CB 4.45Å; L89-K129 HydrophobicContact CD1-CD 3.49Å; L89-K129 VanDerWaalsContact CD1-CD 3.49Å; K125-K129 PolarHBondContact O-N 3.24Å; L126-K129 PolarHBondContact O-N 2.97Å; K127-K129 PolarHBondContact O-N 3.3Å; K129-L133 WeakPolarHBondContact O-CG 3.45Å; K129-L133 PolarHBondContact O-N 3.02Å |
| 130 | T | 96.1 | Very high | 95.2 | Very high | 31 Ų | 31 | 53.4 Ų | 53.4 | 19% | 0.19 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 175 | 67.1 | 0 | 0 | 0 | 0 | 110.8 | L126 K127 L128 L133 I134 S156 | L126-T130 WeakPolarHBondContact O-CG2 3.29Å; L126-T130 PolarHBondContact O-N 3.49Å; K127-T130 WeakPolarHBondContact O-CA 2.99Å; K127-T130 WeakPolarHBondContact O-CB 3.47Å; K127-T130 PolarHBondContact O-N 3.35Å; K127-T130 PolarHBondContact O-OG1 3.34Å; L128-T130 VanDerWaalsContact C-N 3.27Å; L128-T130 PolarHBondContact O-N 3.07Å; T130-L133 PolarHBondContact O-N 2.96Å; T130-L133 VanDerWaalsContact O-N 3.12Å; T130-I134 VanDerWaalsContact O-CG1 3.23Å; T130-I134 WeakPolarHBondContact O-CG1 3.39Å; T130-I134 PolarHBondContact O-N 3.23Å; T130-S156 WeakPolarHBondContact CG2-OG 3.48Å |
| 131 | E | 95.2 | Very high | 95 | Very high | 56 Ų | 56 | 61.3 Ų | 61.3 | 26% | 0.262 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 178.1 | -63.4 | -156.3 | 153.4 | 0 | 0 | 112.3 | M96 K127 L128 L133 I134 A135 R144 | M96-E131 WeakPolarHBondContact CG-OE2 3.21Å; M96-E131 HydrophobicContact SD-CG 3.71Å; K127-E131 WeakPolarHBondContact O-CG 3.33Å; K127-E131 PolarHBondContact O-N 2.89Å; L128-E131 PolarHBondContact O-N 3.23Å; L128-E131 VanDerWaalsContact O-N 3.17Å; E131-L133 PolarHBondContact O-N 3.47Å; E131-I134 PolarHBondContact O-N 2.9Å; E131-I134 VanDerWaalsContact O-N 3.08Å; E131-A135 WeakPolarHBondContact O-CB 3.36Å; E131-A135 PolarHBondContact O-N 3.09Å; E131-R144 IonicContact OE1-CZ 3.23Å; E131-R144 IonicContact OE1-NH1 4Å; E131-R144 PolarHBondContact OE1-NH1 3.21Å; E131-R144 IonicContact OE1-NH2 3.13Å; E131-R144 PolarHBondContact OE1-NH2 2.85Å |
| 132 | Q | 94.8 | Very high | 94.8 | Very high | 74 Ų | 74 | 63.4 Ų | 63.4 | 35% | 0.346 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.1 | -33 | 172 | -73.1 | 178.5 | -10.4 | 0 | 0 | 113.2 | L128 K136 | L128-Q132 HydrophobicContact CD2-CG 3.92Å; L128-Q132 WeakPolarHBondContact O-CG 3.44Å; L128-Q132 PolarHBondContact O-N 3.38Å; Q132-K136 WeakPolarHBondContact O-CG 3.43Å |
| 133 | L | 95.7 | Very high | 94.8 | Very high | 8 Ų | 8 | 60.1 Ų | 60.1 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -79.4 | -33.7 | 175.6 | -72.3 | 176.2 | 0 | 0 | 0 | 112.4 | Q85 K129 T130 E131 V137 A152 L207 | Q85-L133 VanDerWaalsContact NE2-CD1 3.33Å; K129-L133 WeakPolarHBondContact O-CG 3.45Å; K129-L133 PolarHBondContact O-N 3.02Å; T130-L133 PolarHBondContact O-N 2.96Å; T130-L133 VanDerWaalsContact O-N 3.12Å; E131-L133 PolarHBondContact O-N 3.47Å; L133-V137 WeakPolarHBondContact O-CG2 3.44Å; L133-A152 HydrophobicContact CB-CB 4.31Å; L133-L207 HydrophobicContact CB-CD2 4.47Å; L133-L207 HydrophobicContact CD2-CD2 3.83Å |
| 134 | I | 96.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.015 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.1 | -47.8 | 175.6 | -68.6 | 169.3 | 0 | 0 | 0 | 109.4 | T130 E131 K136 V137 Q138 V149 A152 I153 | T130-I134 VanDerWaalsContact O-CG1 3.23Å; T130-I134 WeakPolarHBondContact O-CG1 3.39Å; T130-I134 PolarHBondContact O-N 3.23Å; E131-I134 PolarHBondContact O-N 2.9Å; E131-I134 VanDerWaalsContact O-N 3.08Å; I134-K136 PolarHBondContact O-N 3.34Å; I134-K136 VanDerWaalsContact O-N 3.08Å; I134-V137 PolarHBondContact O-N 3.06Å; I134-Q138 HydrophobicContact CG2-CB 4.24Å; I134-Q138 WeakPolarHBondContact O-CB 3.47Å; I134-Q138 PolarHBondContact O-N 3.3Å; I134-V149 HydrophobicContact CD1-CG1 4.23Å; I134-V149 HydrophobicContact CG1-CG1 4.06Å; I134-V149 HydrophobicContact CG2-CG1 3.91Å; I134-V149 HydrophobicContact CG2-CG2 4.08Å; I134-A152 HydrophobicContact CG1-CB 4.34Å; I134-I153 HydrophobicContact CD1-CD1 4.1Å; I134-I153 HydrophobicContact CD1-CG1 3.76Å; I134-I153 HydrophobicContact CG1-CG1 4.12Å |
| 135 | A | 95.6 | Very high | 94.7 | Very high | 59 Ų | 59 | 65 Ų | 65 | 49% | 0.488 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -55.1 | -31.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E131 V137 | E131-A135 WeakPolarHBondContact O-CB 3.36Å; E131-A135 PolarHBondContact O-N 3.09Å; A135-V137 VanDerWaalsContact C-N 3.3Å; A135-V137 PolarHBondContact O-N 2.91Å |
| 136 | K | 95.4 | Very high | 94.6 | Very high | 111 Ų | 111 | 62.8 Ų | 62.8 | 48% | 0.483 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -20.4 | 178.2 | -70.6 | 176.5 | -177.7 | -163.4 | 0 | 114.4 | Q132 I134 H202 | Q132-K136 WeakPolarHBondContact O-CG 3.43Å; I134-K136 PolarHBondContact O-N 3.34Å; I134-K136 VanDerWaalsContact O-N 3.08Å; K136-H202 PolarHBondContact O-NE2 3.24Å |
| 137 | V | 96.4 | Very high | 94.7 | Very high | 5 Ų | 5 | 62.5 Ų | 62.5 | 3% | 0.03 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | -19.1 | -165.4 | -160.7 | 0 | 0 | 0 | 0 | 112.5 | L133 I134 A135 E148 V203 Q206 L207 | L133-V137 WeakPolarHBondContact O-CG2 3.44Å; I134-V137 PolarHBondContact O-N 3.06Å; A135-V137 VanDerWaalsContact C-N 3.3Å; A135-V137 PolarHBondContact O-N 2.91Å; V137-E148 HydrophobicContact CG1-CB 3.82Å; V137-E148 HydrophobicContact CG1-CG 4.46Å; V137-V203 HydrophobicContact CG1-CB 3.98Å; V137-V203 HydrophobicContact CG1-CG1 4.19Å; V137-V203 HydrophobicContact CG1-CG2 3.21Å; V137-Q206 HydrophobicContact CG2-CB 4.2Å; V137-L207 HydrophobicContact CG2-CD1 4.45Å; V137-L207 HydrophobicContact CG2-CD2 4.04Å; V137-L207 HydrophobicContact CG2-CG 4.1Å |
| 138 | Q | 95 | Very high | 94.7 | Very high | 52 Ų | 52 | 58.3 Ų | 58.3 | 24% | 0.243 | 31% | 0.305 | C | S | . | . | trans | -58.8 | 150.9 | 175.7 | 71.8 | -171.2 | 14.3 | 0 | 0 | 111.2 | I134 D140 V149 | I134-Q138 HydrophobicContact CG2-CB 4.24Å; I134-Q138 WeakPolarHBondContact O-CB 3.47Å; I134-Q138 PolarHBondContact O-N 3.3Å; Q138-D140 WeakPolarHBondContact CG-O 3.46Å; Q138-V149 HydrophobicContact CB-CG2 3.98Å | ||
| 139 | R | 92.1 | Very high | 94.8 | Very high | 122 Ų | 122 | 57.5 Ų | 57.5 | 46% | 0.46 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -83.7 | -49 | 176.1 | -58.8 | 173.8 | -173 | 165 | 2.2 | 110.4 | E148 | R139-E148 IonicContact CZ-OE1 2.83Å; R139-E148 VanDerWaalsContact CZ-OE1 3.22Å; R139-E148 IonicContact CZ-OE2 2.96Å; R139-E148 IonicContact NE-OE1 3.32Å; R139-E148 PolarHBondContact NE-OE1 3.39Å; R139-E148 IonicContact NE-OE2 2.73Å; R139-E148 VanDerWaalsContact NH2-CD 3.31Å; R139-E148 IonicContact NH2-OE1 3.57Å; R139-E148 PolarHBondContact NH2-OE1 2.91Å; R139-E148 IonicContact NH2-OE2 3.76Å; R139-E148 PolarHBondContact NH2-OE2 3.4Å; R139-E148 VanDerWaalsContact NH2-OE2 3.13Å |
| 140 | D | 93.4 | Very high | 94.9 | Very high | 113 Ų | 113 | 61.2 Ų | 61.2 | 60% | 0.604 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -121.9 | 158 | 178.8 | -50.8 | -49.1 | 0 | 0 | 0 | 109.1 | Q138 A142 D143 | Q138-D140 WeakPolarHBondContact CG-O 3.46Å; D140-A142 PolarHBondContact O-N 3.48Å; D140-D143 WeakPolarHBondContact O-CB 3.46Å; D140-D143 PolarHBondContact O-N 3.44Å |
| 141 | E | 90.9 | Very high | 95 | Very high | 177 Ų | 177 | 59.7 Ų | 59.7 | 83% | 0.827 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -28.8 | -177.8 | -61.1 | -174.7 | 168.2 | 0 | 0 | 113.5 | ||
| 142 | A | 91.9 | Very high | 95.1 | Very high | 91 Ų | 91 | 57 Ų | 57 | 75% | 0.752 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 0.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D140 R144 | D140-A142 PolarHBondContact O-N 3.48Å; A142-R144 PolarHBondContact O-N 3.45Å |
| 143 | D | 93.9 | Very high | 95.3 | Very high | 23 Ų | 23 | 55.9 Ų | 55.9 | 12% | 0.123 | 29% | 0.291 | C | S | . | . | trans | -76.2 | 114.5 | -175.5 | -178.7 | 15.8 | 0 | 0 | 0 | 112.1 | D140 S145 S146 | D140-D143 WeakPolarHBondContact O-CB 3.46Å; D140-D143 PolarHBondContact O-N 3.44Å; D143-S145 PolarHBondContact OD1-N 3.35Å; D143-S145 VanDerWaalsContact OD1-N 3.14Å; D143-S146 WeakPolarHBondContact OD1-CB 3.27Å; D143-S146 PolarHBondContact OD1-N 3.13Å; D143-S146 VanDerWaalsContact OD1-N 3.07Å; D143-S146 PolarHBondContact OD1-OG 2.68Å; D143-S146 WeakPolarHBondContact OD2-CB 3.06Å; D143-S146 PolarHBondContact OD2-OG 2.96Å | ||
| 144 | R | 93.8 | Very high | 95.4 | Very high | 140 Ų | 140 | 56.2 Ų | 56.2 | 53% | 0.528 | 29% | 0.293 | S | S | . | . | trans | -114.8 | -11.9 | 176.6 | -69.1 | -70.3 | 178.4 | 148.3 | -3.2 | 113.9 | E131 A142 | E131-R144 IonicContact OE1-CZ 3.23Å; E131-R144 IonicContact OE1-NH1 4Å; E131-R144 PolarHBondContact OE1-NH1 3.21Å; E131-R144 IonicContact OE1-NH2 3.13Å; E131-R144 PolarHBondContact OE1-NH2 2.85Å; A142-R144 PolarHBondContact O-N 3.45Å | ||
| 145 | S | 93.1 | Very high | 95.4 | Very high | 84 Ų | 84 | 56.1 Ų | 56.1 | 59% | 0.587 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -116.7 | -11 | -164 | 79.3 | 0 | 0 | 0 | 0 | 114.4 | D143 K150 | D143-S145 PolarHBondContact OD1-N 3.35Å; D143-S145 VanDerWaalsContact OD1-N 3.14Å; S145-K150 WeakPolarHBondContact O-CE 3.4Å; S145-K150 PolarHBondContact O-NZ 3.22Å |
| 146 | S | 95.6 | Very high | 95.5 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -60.9 | 164.1 | 178.1 | 67.6 | 0 | 0 | 0 | 0 | 113.5 | D143 E148 V149 K150 | D143-S146 WeakPolarHBondContact OD1-CB 3.27Å; D143-S146 PolarHBondContact OD1-N 3.13Å; D143-S146 VanDerWaalsContact OD1-N 3.07Å; D143-S146 PolarHBondContact OD1-OG 2.68Å; D143-S146 WeakPolarHBondContact OD2-CB 3.06Å; D143-S146 PolarHBondContact OD2-OG 2.96Å; S146-E148 VanDerWaalsContact C-N 3.32Å; S146-E148 WeakPolarHBondContact CB-OE2 3.44Å; S146-V149 WeakPolarHBondContact OG-CB 3.29Å; S146-V149 WeakPolarHBondContact OG-CG2 3.47Å; S146-V149 PolarHBondContact OG-N 3.35Å; S146-K150 WeakPolarHBondContact O-CB 3.36Å; S146-K150 WeakPolarHBondContact O-CD 3.46Å; S146-K150 VanDerWaalsContact O-CG 3.28Å; S146-K150 WeakPolarHBondContact O-CG 3.47Å; S146-K150 PolarHBondContact O-N 3.21Å; S146-K150 VanDerWaalsContact O-N 3.09Å |
| 147 | T | 96.5 | Very high | 95.6 | Very high | 26 Ų | 26 | 53.4 Ų | 53.4 | 16% | 0.16 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70 | -36.9 | -176.3 | -60.3 | 0 | 0 | 0 | 0 | 110.3 | K150 V151 L188 L192 | T147-K150 PolarHBondContact O-N 3Å; T147-V151 VanDerWaalsContact O-CG2 3.3Å; T147-V151 WeakPolarHBondContact O-CG2 3.38Å; T147-V151 PolarHBondContact O-N 3.14Å; T147-L188 HydrophobicContact CG2-CB 3.96Å; T147-L188 HydrophobicContact CG2-CD2 4.21Å; T147-L192 HydrophobicContact CG2-CB 4.04Å; T147-L192 HydrophobicContact CG2-CD1 4.33Å |
| 148 | E | 96.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.019 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.9 | -52.7 | 175.1 | -63 | 93.6 | 151.7 | 0 | 0 | 111.6 | V137 R139 S146 K150 V151 A152 L192 A199 V203 | V137-E148 HydrophobicContact CG1-CB 3.82Å; V137-E148 HydrophobicContact CG1-CG 4.46Å; R139-E148 IonicContact CZ-OE1 2.83Å; R139-E148 VanDerWaalsContact CZ-OE1 3.22Å; R139-E148 IonicContact CZ-OE2 2.96Å; R139-E148 IonicContact NE-OE1 3.32Å; R139-E148 PolarHBondContact NE-OE1 3.39Å; R139-E148 IonicContact NE-OE2 2.73Å; R139-E148 VanDerWaalsContact NH2-CD 3.31Å; R139-E148 IonicContact NH2-OE1 3.57Å; R139-E148 PolarHBondContact NH2-OE1 2.91Å; R139-E148 IonicContact NH2-OE2 3.76Å; R139-E148 PolarHBondContact NH2-OE2 3.4Å; R139-E148 VanDerWaalsContact NH2-OE2 3.13Å; S146-E148 VanDerWaalsContact C-N 3.32Å; S146-E148 WeakPolarHBondContact CB-OE2 3.44Å; E148-K150 PolarHBondContact O-N 3.49Å; E148-V151 WeakPolarHBondContact O-CB 3.41Å; E148-V151 PolarHBondContact O-N 3.05Å; E148-V151 VanDerWaalsContact O-N 3.11Å; E148-A152 PolarHBondContact O-N 3.06Å; E148-L192 HydrophobicContact CG-CD1 4.16Å; E148-L192 HydrophobicContact CG-CD2 4.03Å; E148-A199 HydrophobicContact CG-CB 4.37Å; E148-A199 WeakPolarHBondContact OE1-CB 3.48Å; E148-V203 HydrophobicContact CB-CG2 3.94Å; E148-V203 HydrophobicContact CG-CG2 3.66Å |
| 149 | V | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63 | -43 | 179.2 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | I134 Q138 S146 V151 A152 I153 | I134-V149 HydrophobicContact CD1-CG1 4.23Å; I134-V149 HydrophobicContact CG1-CG1 4.06Å; I134-V149 HydrophobicContact CG2-CG1 3.91Å; I134-V149 HydrophobicContact CG2-CG2 4.08Å; Q138-V149 HydrophobicContact CB-CG2 3.98Å; S146-V149 WeakPolarHBondContact OG-CB 3.29Å; S146-V149 WeakPolarHBondContact OG-CG2 3.47Å; S146-V149 PolarHBondContact OG-N 3.35Å; V149-V151 VanDerWaalsContact C-N 3.28Å; V149-V151 PolarHBondContact O-N 2.77Å; V149-A152 WeakPolarHBondContact O-CB 3.49Å; V149-A152 PolarHBondContact O-N 3.43Å; V149-A152 VanDerWaalsContact O-N 3.13Å; V149-I153 HydrophobicContact CG1-CD1 3.96Å; V149-I153 WeakPolarHBondContact O-CG1 2.95Å; V149-I153 PolarHBondContact O-N 3.04Å |
| 150 | K | 97.4 | Very high | 95.9 | Very high | 93 Ų | 93 | 50.3 Ų | 50.3 | 40% | 0.404 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.3 | -37.6 | 174.1 | -74.2 | 166.7 | 175.6 | 155.1 | 0 | 112.3 | S145 S146 T147 E148 L154 L188 | S145-K150 WeakPolarHBondContact O-CE 3.4Å; S145-K150 PolarHBondContact O-NZ 3.22Å; S146-K150 WeakPolarHBondContact O-CB 3.36Å; S146-K150 WeakPolarHBondContact O-CD 3.46Å; S146-K150 VanDerWaalsContact O-CG 3.28Å; S146-K150 WeakPolarHBondContact O-CG 3.47Å; S146-K150 PolarHBondContact O-N 3.21Å; S146-K150 VanDerWaalsContact O-N 3.09Å; T147-K150 PolarHBondContact O-N 3Å; E148-K150 PolarHBondContact O-N 3.49Å; K150-L154 WeakPolarHBondContact O-CG 3.2Å; K150-L154 PolarHBondContact O-N 3.18Å; K150-L188 HydrophobicContact CB-CD1 3.75Å |
| 151 | V | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.8 | -40.4 | 175.4 | 168.5 | 0 | 0 | 0 | 0 | 111.3 | T147 E148 V149 L154 T155 R185 L188 L189 V203 L207 I209 | T147-V151 VanDerWaalsContact O-CG2 3.3Å; T147-V151 WeakPolarHBondContact O-CG2 3.38Å; T147-V151 PolarHBondContact O-N 3.14Å; E148-V151 WeakPolarHBondContact O-CB 3.41Å; E148-V151 PolarHBondContact O-N 3.05Å; E148-V151 VanDerWaalsContact O-N 3.11Å; V149-V151 VanDerWaalsContact C-N 3.28Å; V149-V151 PolarHBondContact O-N 2.77Å; V151-L154 PolarHBondContact O-N 2.84Å; V151-T155 WeakPolarHBondContact O-CB 3.3Å; V151-T155 PolarHBondContact O-N 2.86Å; V151-T155 PolarHBondContact O-OG1 3.11Å; V151-R185 HydrophobicContact CG1-CG 4.02Å; V151-R185 HydrophobicContact CG2-CG 4.47Å; V151-L188 HydrophobicContact CG2-CB 3.67Å; V151-L188 HydrophobicContact CG2-CD1 4.16Å; V151-L189 HydrophobicContact CG1-CD2 4.05Å; V151-L189 HydrophobicContact CG1-CG 4.4Å; V151-L189 HydrophobicContact CG2-CD2 4.23Å; V151-L189 HydrophobicContact CG2-CG 4.3Å; V151-V203 HydrophobicContact CB-CG1 4.37Å; V151-V203 HydrophobicContact CG1-CG1 3.76Å; V151-L207 HydrophobicContact CG1-CD1 3.91Å; V151-I209 HydrophobicContact CG1-CD1 4.17Å |
| 152 | A | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.8 | -46.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L133 I134 E148 V149 L154 T155 S156 L207 | L133-A152 HydrophobicContact CB-CB 4.31Å; I134-A152 HydrophobicContact CG1-CB 4.34Å; E148-A152 PolarHBondContact O-N 3.06Å; V149-A152 WeakPolarHBondContact O-CB 3.49Å; V149-A152 PolarHBondContact O-N 3.43Å; V149-A152 VanDerWaalsContact O-N 3.13Å; A152-L154 PolarHBondContact O-N 2.8Å; A152-T155 WeakPolarHBondContact O-CB 3.38Å; A152-T155 PolarHBondContact O-N 2.93Å; A152-T155 VanDerWaalsContact O-N 3.1Å; A152-S156 PolarHBondContact O-N 3.08Å; A152-L207 HydrophobicContact CB-CD1 4.32Å |
| 153 | I | 97.6 | Very high | 96.3 | Very high | 49 Ų | 49 | 40 Ų | 40 | 25% | 0.251 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.5 | -42.6 | 176.7 | -65.7 | 165.3 | 0 | 0 | 0 | 111.7 | I134 V149 T155 S156 K157 | I134-I153 HydrophobicContact CD1-CD1 4.1Å; I134-I153 HydrophobicContact CD1-CG1 3.76Å; I134-I153 HydrophobicContact CG1-CG1 4.12Å; V149-I153 HydrophobicContact CG1-CD1 3.96Å; V149-I153 WeakPolarHBondContact O-CG1 2.95Å; V149-I153 PolarHBondContact O-N 3.04Å; I153-T155 VanDerWaalsContact C-N 3.27Å; I153-T155 PolarHBondContact O-N 3.02Å; I153-S156 PolarHBondContact O-OG 3.33Å; I153-K157 HydrophobicContact CG2-CD 4.49Å; I153-K157 WeakPolarHBondContact O-CG 3.39Å; I153-K157 PolarHBondContact O-N 2.78Å |
| 154 | L | 97.9 | Very high | 96.4 | Very high | 15 Ų | 15 | 41.9 Ų | 41.9 | 8% | 0.079 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.3 | -34.6 | 175.9 | -72.8 | 173.1 | 0 | 0 | 0 | 111.4 | K150 V151 A152 K157 I158 A181 R184 R185 L188 | K150-L154 WeakPolarHBondContact O-CG 3.2Å; K150-L154 PolarHBondContact O-N 3.18Å; V151-L154 PolarHBondContact O-N 2.84Å; A152-L154 PolarHBondContact O-N 2.8Å; L154-K157 PolarHBondContact O-N 3.28Å; L154-I158 WeakPolarHBondContact O-CB 3.43Å; L154-I158 WeakPolarHBondContact O-CD1 3.28Å; L154-I158 WeakPolarHBondContact O-CG1 3.46Å; L154-I158 PolarHBondContact O-N 3.42Å; L154-A181 HydrophobicContact CD2-CB 4.38Å; L154-R184 HydrophobicContact CD1-CB 4.18Å; L154-R184 HydrophobicContact CD1-CG 3.94Å; L154-R185 HydrophobicContact CB-CB 4.19Å; L154-R185 HydrophobicContact CB-CG 4.45Å; L154-R185 HydrophobicContact CD1-CB 3.98Å; L154-L188 HydrophobicContact CD1-CD1 3.74Å |
| 155 | T | 97.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.6 | -41.9 | 179.7 | -62.5 | 0 | 0 | 0 | 0 | 112 | V151 A152 I153 I158 R159 R185 | V151-T155 WeakPolarHBondContact O-CB 3.3Å; V151-T155 PolarHBondContact O-N 2.86Å; V151-T155 PolarHBondContact O-OG1 3.11Å; A152-T155 WeakPolarHBondContact O-CB 3.38Å; A152-T155 PolarHBondContact O-N 2.93Å; A152-T155 VanDerWaalsContact O-N 3.1Å; I153-T155 VanDerWaalsContact C-N 3.27Å; I153-T155 PolarHBondContact O-N 3.02Å; T155-I158 PolarHBondContact O-N 3.13Å; T155-R159 WeakPolarHBondContact O-CG 3.48Å; T155-R159 PolarHBondContact O-N 3.46Å; T155-R159 VanDerWaalsContact O-N 3.07Å; T155-R185 VanDerWaalsContact OG1-CD 3.29Å; T155-R185 WeakPolarHBondContact OG1-CD 3.06Å; T155-R185 PolarHBondContact OG1-NH1 3.47Å |
| 156 | S | 96.9 | Very high | 96.5 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.5 | -43.7 | 173.2 | 64.6 | 0 | 0 | 0 | 0 | 112 | T130 A152 I153 I158 R159 N160 | T130-S156 WeakPolarHBondContact CG2-OG 3.48Å; A152-S156 PolarHBondContact O-N 3.08Å; I153-S156 PolarHBondContact O-OG 3.33Å; S156-I158 PolarHBondContact O-N 3Å; S156-R159 PolarHBondContact O-N 3.45Å; S156-N160 PolarHBondContact O-N 2.92Å |
| 157 | K | 97.1 | Very high | 96.3 | Very high | 109 Ų | 109 | 44 Ų | 44 | 47% | 0.474 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 176.1 | -72.1 | -179.8 | 179.4 | -176.1 | 0 | 112.3 | I153 L154 N160 Y161 | I153-K157 HydrophobicContact CG2-CD 4.49Å; I153-K157 WeakPolarHBondContact O-CG 3.39Å; I153-K157 PolarHBondContact O-N 2.78Å; L154-K157 PolarHBondContact O-N 3.28Å; K157-N160 PolarHBondContact O-N 3.23Å; K157-Y161 HydrophobicContact CB-CE2 4.34Å; K157-Y161 WeakPolarHBondContact O-CD2 3.46Å; K157-Y161 PolarHBondContact O-N 2.91Å |
| 158 | I | 97.5 | Very high | 96.3 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -46.1 | 179 | -70.3 | 161.2 | 0 | 0 | 0 | 110.7 | L154 T155 S156 N160 Y161 Q162 A181 I182 R185 | L154-I158 WeakPolarHBondContact O-CB 3.43Å; L154-I158 WeakPolarHBondContact O-CD1 3.28Å; L154-I158 WeakPolarHBondContact O-CG1 3.46Å; L154-I158 PolarHBondContact O-N 3.42Å; T155-I158 PolarHBondContact O-N 3.13Å; S156-I158 PolarHBondContact O-N 3Å; I158-N160 PolarHBondContact O-N 3.43Å; I158-Y161 PolarHBondContact O-N 3.26Å; I158-Q162 HydrophobicContact CG2-CG 4.47Å; I158-Q162 VanDerWaalsContact O-CG 3.31Å; I158-Q162 WeakPolarHBondContact O-CG 3.48Å; I158-Q162 PolarHBondContact O-N 3.14Å; I158-A181 HydrophobicContact CD1-CB 4.4Å; I158-A181 HydrophobicContact CG1-CB 3.89Å; I158-I182 HydrophobicContact CD1-CB 4.44Å; I158-I182 HydrophobicContact CD1-CG1 3.79Å; I158-I182 HydrophobicContact CG1-CG1 4Å; I158-I182 HydrophobicContact CG2-CD1 4.38Å; I158-I182 HydrophobicContact CG2-CG1 4.02Å; I158-R185 HydrophobicContact CD1-CB 4.31Å |
| 159 | R | 96.1 | Very high | 96.2 | Very high | 73 Ų | 73 | 53 Ų | 53 | 28% | 0.275 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.2 | -41.8 | 178 | -73.9 | 175.4 | -178.8 | 171.9 | 1.3 | 111.9 | Q85 T155 S156 Y161 Q162 E163 L207 | Q85-R159 HydrophobicContact CB-CB 4.5Å; T155-R159 WeakPolarHBondContact O-CG 3.48Å; T155-R159 PolarHBondContact O-N 3.46Å; T155-R159 VanDerWaalsContact O-N 3.07Å; S156-R159 PolarHBondContact O-N 3.45Å; R159-Y161 PolarHBondContact O-N 3.2Å; R159-Q162 WeakPolarHBondContact O-CB 3.49Å; R159-Q162 PolarHBondContact O-N 3.4Å; R159-E163 PolarHBondContact O-N 3.07Å; R159-E163 VanDerWaalsContact O-N 3.11Å; R159-L207 PolarHBondContact NH2-O 3.35Å |
| 160 | N | 96.2 | Very high | 96.2 | Very high | 37 Ų | 37 | 62.2 Ų | 62.2 | 20% | 0.198 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 173.3 | -176.4 | 60.8 | 0 | 0 | 0 | 112.7 | H122 L126 S156 K157 I158 Q162 E163 H164 | H122-N160 PolarHBondContact NE2-OD1 2.98Å; L126-N160 HydrophobicContact CD1-CB 4.39Å; L126-N160 HydrophobicContact CD2-CB 3.97Å; S156-N160 PolarHBondContact O-N 2.92Å; K157-N160 PolarHBondContact O-N 3.23Å; I158-N160 PolarHBondContact O-N 3.43Å; N160-Q162 VanDerWaalsContact C-N 3.3Å; N160-Q162 PolarHBondContact O-N 3.07Å; N160-E163 PolarHBondContact O-N 2.95Å; N160-H164 PolarHBondContact O-N 3.41Å |
| 161 | Y | 96.5 | Very high | 96.2 | Very high | 54 Ų | 54 | 60.1 Ų | 60.1 | 21% | 0.212 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.8 | -37.2 | 174.5 | -70 | -50.5 | 0 | 0 | 0 | 112.5 | K157 I158 R159 H164 L165 M178 | K157-Y161 HydrophobicContact CB-CE2 4.34Å; K157-Y161 WeakPolarHBondContact O-CD2 3.46Å; K157-Y161 PolarHBondContact O-N 2.91Å; I158-Y161 PolarHBondContact O-N 3.26Å; R159-Y161 PolarHBondContact O-N 3.2Å; Y161-H164 PolarHBondContact O-N 3.24Å; Y161-L165 WeakPolarHBondContact O-CB 3.45Å; Y161-L165 VanDerWaalsContact O-CG 3.24Å; Y161-L165 WeakPolarHBondContact O-CG 3.47Å; Y161-L165 PolarHBondContact O-N 2.58Å; Y161-M178 HydrophobicContact CD2-CB 3.97Å; Y161-M178 HydrophobicContact CD2-CG 4.3Å; Y161-M178 HydrophobicContact CG-CB 4.02Å; Y161-M178 HydrophobicContact CG-CG 4.39Å |
| 162 | Q | 95.4 | Very high | 96.2 | Very high | 80 Ų | 80 | 68.5 Ų | 68.5 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 176.6 | -73.7 | 172.2 | -29.9 | 0 | 0 | 111.3 | I158 R159 N160 H166 M178 | I158-Q162 HydrophobicContact CG2-CG 4.47Å; I158-Q162 VanDerWaalsContact O-CG 3.31Å; I158-Q162 WeakPolarHBondContact O-CG 3.48Å; I158-Q162 PolarHBondContact O-N 3.14Å; R159-Q162 WeakPolarHBondContact O-CB 3.49Å; R159-Q162 PolarHBondContact O-N 3.4Å; N160-Q162 VanDerWaalsContact C-N 3.3Å; N160-Q162 PolarHBondContact O-N 3.07Å; Q162-H166 WeakPolarHBondContact O-CB 3.46Å; Q162-H166 PolarHBondContact O-N 3.39Å; Q162-M178 HydrophobicContact CG-SD 3.71Å |
| 163 | E | 94.4 | Very high | 96.2 | Very high | 32 Ų | 32 | 70.8 Ų | 70.8 | 15% | 0.15 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 176.1 | -70.1 | 174.9 | -148.2 | 0 | 0 | 112.4 | S84 Q85 R159 N160 H166 K167 | S84-E163 WeakPolarHBondContact CA-OE1 3.49Å; S84-E163 WeakPolarHBondContact CB-OE2 3.38Å; Q85-E163 WeakPolarHBondContact CB-OE1 3.36Å; Q85-E163 PolarHBondContact N-OE1 3.45Å; R159-E163 PolarHBondContact O-N 3.07Å; R159-E163 VanDerWaalsContact O-N 3.11Å; N160-E163 PolarHBondContact O-N 2.95Å; E163-H166 WeakPolarHBondContact O-CB 3.39Å; E163-H166 PolarHBondContact O-N 3.27Å; E163-K167 PolarHBondContact O-N 2.75Å |
| 164 | H | 94.9 | Very high | 96.2 | Very high | 61 Ų | 61 | 69.9 Ų | 69.9 | 28% | 0.282 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.8 | -49.3 | 177.6 | -179.7 | 77.6 | 0 | 0 | 0 | 111.8 | N160 Y161 H166 K167 H168 D171 N174 | N160-H164 PolarHBondContact O-N 3.41Å; Y161-H164 PolarHBondContact O-N 3.24Å; H164-H166 VanDerWaalsContact C-N 3.27Å; H164-H166 PolarHBondContact O-N 3.02Å; H164-K167 PolarHBondContact O-N 2.75Å; H164-H168 AromaticContact CE1-CD2 3.39Å; H164-H168 PolarHBondContact CE1-CD2 2.95Å; H164-H168 AromaticContact ND1-CD2 3.57Å; H164-H168 AromaticContact NE2-CD2 3.94Å; H164-H168 PolarHBondContact O-CD2 3.29Å; H164-H168 PolarHBondContact O-N 2.76Å; H164-D171 IonicContact NE2-OD2 2.68Å; H164-D171 PolarHBondContact NE2-OD2 2.83Å; H164-N174 PolarHBondContact NE2-ND2 3.05Å |
| 165 | L | 95.5 | Very high | 96.2 | Very high | 21 Ų | 21 | 74.8 Ų | 74.8 | 11% | 0.11 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -71 | -22.8 | -178.1 | -68.2 | 170.9 | 0 | 0 | 0 | 113.1 | Y161 K167 H168 T169 D171 N174 K175 M178 | Y161-L165 WeakPolarHBondContact O-CB 3.45Å; Y161-L165 VanDerWaalsContact O-CG 3.24Å; Y161-L165 WeakPolarHBondContact O-CG 3.47Å; Y161-L165 PolarHBondContact O-N 2.58Å; L165-K167 VanDerWaalsContact C-N 3.33Å; L165-H168 CarbonylContact O-C 3.38Å; L165-T169 WeakPolarHBondContact O-CA 3.31Å; L165-T169 WeakPolarHBondContact O-CG2 3.38Å; L165-T169 PolarHBondContact O-N 3.06Å; L165-D171 HydrophobicContact CD2-CB 4.22Å; L165-D171 WeakPolarHBondContact CD2-O 3.42Å; L165-N174 HydrophobicContact CD2-CB 3.97Å; L165-K175 HydrophobicContact CD1-CB 4.03Å; L165-K175 HydrophobicContact CD1-CG 4.43Å; L165-K175 HydrophobicContact CD2-CB 4.14Å; L165-M178 HydrophobicContact CD1-CB 4.3Å; L165-M178 HydrophobicContact CD1-CE 3.53Å; L165-M178 HydrophobicContact CD1-SD 3.73Å |
| 166 | H | 92.8 | Very high | 96.2 | Very high | 94 Ų | 94 | 81.7 Ų | 81.7 | 44% | 0.435 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 171.3 | -169.7 | 77.4 | 0 | 0 | 0 | 111 | Q162 E163 H164 | Q162-H166 WeakPolarHBondContact O-CB 3.46Å; Q162-H166 PolarHBondContact O-N 3.39Å; E163-H166 WeakPolarHBondContact O-CB 3.39Å; E163-H166 PolarHBondContact O-N 3.27Å; H164-H166 VanDerWaalsContact C-N 3.27Å; H164-H166 PolarHBondContact O-N 3.02Å |
| 167 | K | 92.9 | Very high | 96.3 | Very high | 168 Ų | 168 | 87.6 Ų | 87.6 | 73% | 0.73 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -75.6 | -42.5 | 174.2 | -61.8 | 178.8 | -177.6 | 178.5 | 0 | 111.6 | E163 H164 L165 | E163-K167 PolarHBondContact O-N 2.75Å; H164-K167 PolarHBondContact O-N 2.75Å; L165-K167 VanDerWaalsContact C-N 3.33Å |
| 168 | H | 95.4 | Very high | 96.3 | Very high | 104 Ų | 104 | 83.7 Ų | 83.7 | 48% | 0.481 | 39% | 0.385 | S | S | . | . | trans | -115.4 | 73.6 | -172.9 | -57.4 | -70.1 | 0 | 0 | 0 | 112.3 | H164 L165 K170 D171 | H164-H168 AromaticContact CE1-CD2 3.39Å; H164-H168 PolarHBondContact CE1-CD2 2.95Å; H164-H168 AromaticContact ND1-CD2 3.57Å; H164-H168 AromaticContact NE2-CD2 3.94Å; H164-H168 PolarHBondContact O-CD2 3.29Å; H164-H168 PolarHBondContact O-N 2.76Å; L165-H168 CarbonylContact O-C 3.38Å; H168-K170 VanDerWaalsContact C-N 3.25Å; H168-K170 PolarHBondContact O-N 2.79Å; H168-D171 HydrophobicContact CB-CB 4.44Å; H168-D171 PolarHBondContact O-N 2.77Å | ||
| 169 | T | 94.8 | Very high | 96.4 | Very high | 114 Ų | 114 | 87.6 Ų | 87.6 | 70% | 0.699 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -21.1 | -174.7 | 57 | 0 | 0 | 0 | 0 | 115 | L165 | L165-T169 WeakPolarHBondContact O-CA 3.31Å; L165-T169 WeakPolarHBondContact O-CG2 3.38Å; L165-T169 PolarHBondContact O-N 3.06Å |
| 170 | K | 96.6 | Very high | 96.5 | Very high | 194 Ų | 194 | 88.9 Ų | 88.9 | 84% | 0.843 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -9.8 | -177.7 | -65.5 | -176.2 | -179.3 | 178 | 0 | 113.7 | H168 K172 | H168-K170 VanDerWaalsContact C-N 3.25Å; H168-K170 PolarHBondContact O-N 2.79Å; K170-K172 PolarHBondContact O-N 2.73Å; K170-K172 VanDerWaalsContact O-N 3.11Å |
| 171 | D | 98 | Very high | 96.6 | Very high | 48 Ų | 48 | 87.7 Ų | 87.7 | 26% | 0.257 | 41% | 0.41 | S | S | . | . | trans | -76 | 100.1 | -179 | -171.5 | -21 | 0 | 0 | 0 | 111.4 | H164 L165 H168 A173 N174 K175 | H164-D171 IonicContact NE2-OD2 2.68Å; H164-D171 PolarHBondContact NE2-OD2 2.83Å; L165-D171 HydrophobicContact CD2-CB 4.22Å; L165-D171 WeakPolarHBondContact CD2-O 3.42Å; H168-D171 HydrophobicContact CB-CB 4.44Å; H168-D171 PolarHBondContact O-N 2.77Å; D171-A173 PolarHBondContact OD1-N 2.9Å; D171-A173 VanDerWaalsContact OD1-N 3.13Å; D171-N174 PolarHBondContact OD1-N 3.17Å; D171-N174 PolarHBondContact OD2-ND2 3.2Å; D171-K175 WeakPolarHBondContact O-CB 3.43Å; D171-K175 PolarHBondContact O-N 3.27Å | ||
| 172 | K | 97.8 | Very high | 96.7 | Very high | 177 Ų | 177 | 86.7 Ų | 86.7 | 77% | 0.77 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -78.3 | -27.7 | -177.9 | -63 | 179.3 | -176 | 175.3 | 0 | 112.5 | K170 R176 | K170-K172 PolarHBondContact O-N 2.73Å; K170-K172 VanDerWaalsContact O-N 3.11Å; K172-R176 WeakPolarHBondContact O-CB 3.31Å; K172-R176 PolarHBondContact O-N 3.22Å |
| 173 | A | 98 | Very high | 96.8 | Very high | 48 Ų | 48 | 87.2 Ų | 87.2 | 40% | 0.397 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.2 | -50.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | D171 K175 R176 W177 | D171-A173 PolarHBondContact OD1-N 2.9Å; D171-A173 VanDerWaalsContact OD1-N 3.13Å; A173-K175 VanDerWaalsContact C-N 3.3Å; A173-K175 PolarHBondContact O-N 3.26Å; A173-R176 WeakPolarHBondContact O-CB 3.37Å; A173-R176 PolarHBondContact O-N 3.18Å; A173-R176 VanDerWaalsContact O-N 3.11Å; A173-W177 HydrophobicContact CB-CH2 4.41Å; A173-W177 HydrophobicContact CB-CZ2 4.49Å; A173-W177 PolarHBondContact O-N 2.95Å |
| 174 | N | 97.4 | Very high | 97 | Very high | 29 Ų | 29 | 93.4 Ų | 93.4 | 16% | 0.155 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63.1 | -36.7 | 175.9 | -83.4 | -50.5 | 0 | 0 | 0 | 112.2 | H164 L165 D171 R176 W177 M178 | H164-N174 PolarHBondContact NE2-ND2 3.05Å; L165-N174 HydrophobicContact CD2-CB 3.97Å; D171-N174 PolarHBondContact OD1-N 3.17Å; D171-N174 PolarHBondContact OD2-ND2 3.2Å; N174-R176 VanDerWaalsContact C-N 3.35Å; N174-R176 PolarHBondContact O-N 3.12Å; N174-W177 HydrophobicContact CB-CE3 4.5Å; N174-W177 PolarHBondContact O-N 3.2Å; N174-W177 VanDerWaalsContact OD1-CZ3 3.24Å; N174-W177 WeakPolarHBondContact OD1-CZ3 3.23Å; N174-M178 WeakPolarHBondContact O-CB 3.16Å; N174-M178 PolarHBondContact O-N 3.35Å |
| 175 | K | 98.2 | Very high | 97.2 | Very high | 118 Ų | 118 | 92.5 Ų | 92.5 | 51% | 0.513 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 172.9 | -173.1 | 177.7 | -179.6 | 179.6 | 0 | 112.1 | L165 D171 A173 M178 L179 | L165-K175 HydrophobicContact CD1-CB 4.03Å; L165-K175 HydrophobicContact CD1-CG 4.43Å; L165-K175 HydrophobicContact CD2-CB 4.14Å; D171-K175 WeakPolarHBondContact O-CB 3.43Å; D171-K175 PolarHBondContact O-N 3.27Å; A173-K175 VanDerWaalsContact C-N 3.3Å; A173-K175 PolarHBondContact O-N 3.26Å; K175-M178 PolarHBondContact O-N 3.07Å; K175-L179 WeakPolarHBondContact O-CG 3.46Å; K175-L179 PolarHBondContact O-N 2.96Å; K175-L179 VanDerWaalsContact O-N 3.08Å |
| 176 | R | 98.3 | Very high | 97.3 | Very high | 148 Ų | 148 | 96.5 Ų | 96.5 | 56% | 0.558 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.7 | -47.8 | 175.7 | -178.8 | 178 | 178.4 | -85.2 | 0.1 | 111 | K172 A173 N174 M178 L179 M180 | K172-R176 WeakPolarHBondContact O-CB 3.31Å; K172-R176 PolarHBondContact O-N 3.22Å; A173-R176 WeakPolarHBondContact O-CB 3.37Å; A173-R176 PolarHBondContact O-N 3.18Å; A173-R176 VanDerWaalsContact O-N 3.11Å; N174-R176 VanDerWaalsContact C-N 3.35Å; N174-R176 PolarHBondContact O-N 3.12Å; R176-M178 VanDerWaalsContact C-N 3.33Å; R176-M178 PolarHBondContact O-N 2.91Å; R176-L179 PolarHBondContact O-N 3.04Å; R176-M180 HydrophobicContact CG-SD 4.25Å; R176-M180 PolarHBondContact NH1-SD 3.42Å; R176-M180 VanDerWaalsContact NH1-SD 3.35Å; R176-M180 WeakPolarHBondContact O-CG 3.36Å; R176-M180 PolarHBondContact O-N 3.42Å |
| 177 | W | 98.2 | Very high | 97.6 | Very high | 127 Ų | 127 | 99.9 Ų | 99.9 | 48% | 0.481 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 178.8 | -62 | -33.7 | 0 | 0 | 0 | 112.6 | A173 N174 L179 M180 A181 | A173-W177 HydrophobicContact CB-CH2 4.41Å; A173-W177 HydrophobicContact CB-CZ2 4.49Å; A173-W177 PolarHBondContact O-N 2.95Å; N174-W177 HydrophobicContact CB-CE3 4.5Å; N174-W177 PolarHBondContact O-N 3.2Å; N174-W177 VanDerWaalsContact OD1-CZ3 3.24Å; N174-W177 WeakPolarHBondContact OD1-CZ3 3.23Å; W177-L179 PolarHBondContact O-N 3.08Å; W177-M180 PolarHBondContact O-N 2.83Å; W177-A181 WeakPolarHBondContact O-CB 3.48Å; W177-A181 PolarHBondContact O-N 3.46Å |
| 178 | M | 98.3 | Very high | 97.8 | Very high | 27 Ų | 27 | 93.6 Ų | 93.6 | 13% | 0.133 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 173.9 | -174.3 | -179.3 | 65.5 | 0 | 0 | 111.9 | Y161 Q162 L165 N174 K175 R176 A181 I182 | Y161-M178 HydrophobicContact CD2-CB 3.97Å; Y161-M178 HydrophobicContact CD2-CG 4.3Å; Y161-M178 HydrophobicContact CG-CB 4.02Å; Y161-M178 HydrophobicContact CG-CG 4.39Å; Q162-M178 HydrophobicContact CG-SD 3.71Å; L165-M178 HydrophobicContact CD1-CB 4.3Å; L165-M178 HydrophobicContact CD1-CE 3.53Å; L165-M178 HydrophobicContact CD1-SD 3.73Å; N174-M178 WeakPolarHBondContact O-CB 3.16Å; N174-M178 PolarHBondContact O-N 3.35Å; K175-M178 PolarHBondContact O-N 3.07Å; R176-M178 VanDerWaalsContact C-N 3.33Å; R176-M178 PolarHBondContact O-N 2.91Å; M178-A181 PolarHBondContact O-N 2.96Å; M178-I182 HydrophobicContact CG-CD1 4.12Å; M178-I182 VanDerWaalsContact O-CG1 3.31Å; M178-I182 WeakPolarHBondContact O-CG1 3.36Å; M178-I182 PolarHBondContact O-N 3.45Å |
| 179 | L | 98.3 | Very high | 97.9 | Very high | 85 Ų | 85 | 88.8 Ų | 88.8 | 45% | 0.445 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 177.9 | -68.7 | 173.1 | 0 | 0 | 0 | 111.5 | K175 R176 W177 A181 I182 D183 | K175-L179 WeakPolarHBondContact O-CG 3.46Å; K175-L179 PolarHBondContact O-N 2.96Å; K175-L179 VanDerWaalsContact O-N 3.08Å; R176-L179 PolarHBondContact O-N 3.04Å; W177-L179 PolarHBondContact O-N 3.08Å; L179-A181 VanDerWaalsContact C-N 3.31Å; L179-A181 PolarHBondContact O-N 3.1Å; L179-I182 WeakPolarHBondContact O-CB 3.38Å; L179-I182 PolarHBondContact O-N 3.37Å; L179-D183 PolarHBondContact O-N 3.02Å |
| 180 | M | 98.5 | Very high | 98.1 | Very high | 100 Ų | 100 | 89.6 Ų | 89.6 | 49% | 0.493 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.1 | -39 | 175.7 | -66.5 | -179.2 | 83.6 | 0 | 0 | 112.2 | R176 W177 D183 R184 | R176-M180 HydrophobicContact CG-SD 4.25Å; R176-M180 PolarHBondContact NH1-SD 3.42Å; R176-M180 VanDerWaalsContact NH1-SD 3.35Å; R176-M180 WeakPolarHBondContact O-CG 3.36Å; R176-M180 PolarHBondContact O-N 3.42Å; W177-M180 PolarHBondContact O-N 2.83Å; M180-D183 PolarHBondContact O-N 3.09Å; M180-R184 WeakPolarHBondContact O-CB 3.31Å; M180-R184 PolarHBondContact O-N 2.95Å |
| 181 | A | 98.4 | Very high | 98.1 | Very high | 12 Ų | 12 | 85.2 Ų | 85.2 | 10% | 0.099 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66 | -40.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L154 I158 W177 M178 L179 R184 R185 | L154-A181 HydrophobicContact CD2-CB 4.38Å; I158-A181 HydrophobicContact CD1-CB 4.4Å; I158-A181 HydrophobicContact CG1-CB 3.89Å; W177-A181 WeakPolarHBondContact O-CB 3.48Å; W177-A181 PolarHBondContact O-N 3.46Å; M178-A181 PolarHBondContact O-N 2.96Å; L179-A181 VanDerWaalsContact C-N 3.31Å; L179-A181 PolarHBondContact O-N 3.1Å; A181-R184 PolarHBondContact O-N 2.9Å; A181-R185 WeakPolarHBondContact O-CB 3.47Å; A181-R185 PolarHBondContact O-N 3.28Å |
| 182 | I | 98.4 | Very high | 98.1 | Very high | 33 Ų | 33 | 83 Ų | 83 | 17% | 0.169 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 174.3 | -70.7 | 165 | 0 | 0 | 0 | 110.4 | I158 M178 L179 R185 K186 | I158-I182 HydrophobicContact CD1-CB 4.44Å; I158-I182 HydrophobicContact CD1-CG1 3.79Å; I158-I182 HydrophobicContact CG1-CG1 4Å; I158-I182 HydrophobicContact CG2-CD1 4.38Å; I158-I182 HydrophobicContact CG2-CG1 4.02Å; M178-I182 HydrophobicContact CG-CD1 4.12Å; M178-I182 VanDerWaalsContact O-CG1 3.31Å; M178-I182 WeakPolarHBondContact O-CG1 3.36Å; M178-I182 PolarHBondContact O-N 3.45Å; L179-I182 WeakPolarHBondContact O-CB 3.38Å; L179-I182 PolarHBondContact O-N 3.37Å; I182-R185 WeakPolarHBondContact O-CB 3.38Å; I182-R185 PolarHBondContact O-N 2.93Å; I182-K186 HydrophobicContact CG2-CD 4.3Å; I182-K186 WeakPolarHBondContact O-CG 3.44Å; I182-K186 PolarHBondContact O-N 2.91Å |
| 183 | D | 98.3 | Very high | 98.1 | Very high | 91 Ų | 91 | 78.2 Ų | 78.2 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.2 | -39.3 | -178.6 | -67.6 | -25 | 0 | 0 | 0 | 112 | L179 M180 R185 K186 K187 | L179-D183 PolarHBondContact O-N 3.02Å; M180-D183 PolarHBondContact O-N 3.09Å; D183-R185 VanDerWaalsContact C-N 3.32Å; D183-R185 PolarHBondContact O-N 3.44Å; D183-K186 PolarHBondContact O-N 3.38Å; D183-K186 IonicContact OD1-NZ 3.68Å; D183-K187 PolarHBondContact O-N 3.27Å |
| 184 | R | 98.4 | Very high | 98 | Very high | 163 Ų | 163 | 81.7 Ų | 81.7 | 62% | 0.615 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -59.1 | -44.2 | 171.5 | -170.8 | 176 | -177.5 | -177.8 | 1.7 | 111.2 | L154 M180 A181 K187 L188 | L154-R184 HydrophobicContact CD1-CB 4.18Å; L154-R184 HydrophobicContact CD1-CG 3.94Å; M180-R184 WeakPolarHBondContact O-CB 3.31Å; M180-R184 PolarHBondContact O-N 2.95Å; A181-R184 PolarHBondContact O-N 2.9Å; R184-K187 WeakPolarHBondContact O-CB 3.4Å; R184-K187 PolarHBondContact O-N 2.74Å; R184-L188 WeakPolarHBondContact O-CG 3.38Å; R184-L188 PolarHBondContact O-N 3.27Å; R184-L188 VanDerWaalsContact O-N 3.07Å |
| 185 | R | 98.5 | Very high | 98 | Very high | 41 Ų | 41 | 84 Ų | 84 | 16% | 0.155 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 176.6 | -173.6 | 178.6 | 65.3 | 166.2 | 1.7 | 111.7 | V151 L154 T155 I158 A181 I182 D183 K187 L188 L189 | V151-R185 HydrophobicContact CG1-CG 4.02Å; V151-R185 HydrophobicContact CG2-CG 4.47Å; L154-R185 HydrophobicContact CB-CB 4.19Å; L154-R185 HydrophobicContact CB-CG 4.45Å; L154-R185 HydrophobicContact CD1-CB 3.98Å; T155-R185 VanDerWaalsContact OG1-CD 3.29Å; T155-R185 WeakPolarHBondContact OG1-CD 3.06Å; T155-R185 PolarHBondContact OG1-NH1 3.47Å; I158-R185 HydrophobicContact CD1-CB 4.31Å; A181-R185 WeakPolarHBondContact O-CB 3.47Å; A181-R185 PolarHBondContact O-N 3.28Å; I182-R185 WeakPolarHBondContact O-CB 3.38Å; I182-R185 PolarHBondContact O-N 2.93Å; D183-R185 VanDerWaalsContact C-N 3.32Å; D183-R185 PolarHBondContact O-N 3.44Å; R185-K187 VanDerWaalsContact C-N 3.31Å; R185-K187 PolarHBondContact O-N 3.42Å; R185-L188 PolarHBondContact O-N 2.97Å; R185-L189 HydrophobicContact CG-CD1 4.33Å; R185-L189 WeakPolarHBondContact O-CG 3.44Å; R185-L189 PolarHBondContact O-N 3.18Å |
| 186 | K | 98.1 | Very high | 97.9 | Very high | 106 Ų | 106 | 83.9 Ų | 83.9 | 46% | 0.461 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.8 | -40.7 | 175.2 | -73.6 | 173.9 | -179.2 | 172 | 0 | 112.1 | I182 D183 L189 K190 | I182-K186 HydrophobicContact CG2-CD 4.3Å; I182-K186 WeakPolarHBondContact O-CG 3.44Å; I182-K186 PolarHBondContact O-N 2.91Å; D183-K186 PolarHBondContact O-N 3.38Å; D183-K186 IonicContact OD1-NZ 3.68Å; K186-L189 PolarHBondContact O-N 3.4Å; K186-K190 WeakPolarHBondContact O-CB 3.36Å; K186-K190 PolarHBondContact O-N 3.49Å |
| 187 | K | 98.1 | Very high | 97.9 | Very high | 165 Ų | 165 | 82.8 Ų | 82.8 | 72% | 0.717 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 175.9 | -170.3 | 179.5 | -179.6 | 179.7 | 0 | 111.5 | D183 R184 R185 K190 H191 | D183-K187 PolarHBondContact O-N 3.27Å; R184-K187 WeakPolarHBondContact O-CB 3.4Å; R184-K187 PolarHBondContact O-N 2.74Å; R185-K187 VanDerWaalsContact C-N 3.31Å; R185-K187 PolarHBondContact O-N 3.42Å; K187-K190 PolarHBondContact O-N 3.25Å; K187-H191 PolarHBondContact O-N 3.03Å |
| 188 | L | 98 | Very high | 97.8 | Very high | 35 Ų | 35 | 82.8 Ų | 82.8 | 18% | 0.183 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 176.3 | -66.5 | 178.7 | 0 | 0 | 0 | 112.3 | T147 K150 V151 L154 R184 R185 K190 H191 L192 | T147-L188 HydrophobicContact CG2-CB 3.96Å; T147-L188 HydrophobicContact CG2-CD2 4.21Å; K150-L188 HydrophobicContact CB-CD1 3.75Å; V151-L188 HydrophobicContact CG2-CB 3.67Å; V151-L188 HydrophobicContact CG2-CD1 4.16Å; L154-L188 HydrophobicContact CD1-CD1 3.74Å; R184-L188 WeakPolarHBondContact O-CG 3.38Å; R184-L188 PolarHBondContact O-N 3.27Å; R184-L188 VanDerWaalsContact O-N 3.07Å; R185-L188 PolarHBondContact O-N 2.97Å; L188-K190 VanDerWaalsContact C-N 3.35Å; L188-K190 PolarHBondContact O-N 3.48Å; L188-H191 WeakPolarHBondContact O-CB 3.39Å; L188-H191 PolarHBondContact O-N 2.69Å; L188-L192 WeakPolarHBondContact O-CB 3.49Å; L188-L192 PolarHBondContact O-N 3.33Å |
| 189 | L | 98.1 | Very high | 97.7 | Very high | 4 Ų | 4 | 82 Ų | 82 | 2% | 0.021 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 175.5 | -73.6 | 172.7 | 0 | 0 | 0 | 112.2 | V151 R185 K186 H191 L192 R193 F200 V203 I209 Y211 | V151-L189 HydrophobicContact CG1-CD2 4.05Å; V151-L189 HydrophobicContact CG1-CG 4.4Å; V151-L189 HydrophobicContact CG2-CD2 4.23Å; V151-L189 HydrophobicContact CG2-CG 4.3Å; R185-L189 HydrophobicContact CG-CD1 4.33Å; R185-L189 WeakPolarHBondContact O-CG 3.44Å; R185-L189 PolarHBondContact O-N 3.18Å; K186-L189 PolarHBondContact O-N 3.4Å; L189-H191 VanDerWaalsContact C-N 3.33Å; L189-L192 PolarHBondContact O-N 3.11Å; L189-R193 VanDerWaalsContact O-CB 3.32Å; L189-R193 WeakPolarHBondContact O-CB 3.47Å; L189-R193 PolarHBondContact O-N 3.33Å; L189-F200 HydrophobicContact CB-CE2 4.4Å; L189-F200 HydrophobicContact CD2-CD2 4.19Å; L189-F200 HydrophobicContact CD2-CE2 4.3Å; L189-V203 HydrophobicContact CD2-CG1 4.29Å; L189-I209 HydrophobicContact CD1-CG2 3.95Å; L189-Y211 HydrophobicContact CB-CD2 4.03Å; L189-Y211 HydrophobicContact CB-CE2 4.12Å; L189-Y211 HydrophobicContact CD1-CD2 4.49Å |
| 190 | K | 97.9 | Very high | 97.7 | Very high | 131 Ų | 131 | 78.6 Ų | 78.6 | 57% | 0.57 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60 | -45.1 | 173 | -177.7 | -177.1 | 176.4 | -177.3 | 0 | 110.9 | K186 K187 L188 V194 | K186-K190 WeakPolarHBondContact O-CB 3.36Å; K186-K190 PolarHBondContact O-N 3.49Å; K187-K190 PolarHBondContact O-N 3.25Å; L188-K190 VanDerWaalsContact C-N 3.35Å; L188-K190 PolarHBondContact O-N 3.48Å; K190-V194 WeakPolarHBondContact O-CG2 3.21Å; K190-V194 PolarHBondContact O-N 2.79Å |
| 191 | H | 97.4 | Very high | 97.6 | Very high | 102 Ų | 102 | 78.1 Ų | 78.1 | 47% | 0.472 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.1 | -51.3 | 177.5 | 177.2 | -93.7 | 0 | 0 | 0 | 111.3 | K187 L188 L189 R193 V194 T195 | K187-H191 PolarHBondContact O-N 3.03Å; L188-H191 WeakPolarHBondContact O-CB 3.39Å; L188-H191 PolarHBondContact O-N 2.69Å; L189-H191 VanDerWaalsContact C-N 3.33Å; H191-R193 VanDerWaalsContact C-N 3.27Å; H191-R193 PolarHBondContact O-N 3.04Å; H191-V194 PolarHBondContact O-N 3.4Å; H191-T195 PolarHBondContact O-N 3.27Å; H191-T195 PolarHBondContact O-OG1 3.43Å |
| 192 | L | 97.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 81.2 Ų | 81.2 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.7 | -41.5 | -179.3 | -170.3 | 66.2 | 0 | 0 | 0 | 111.8 | T147 E148 L188 L189 V194 T195 R196 A199 F200 V203 | T147-L192 HydrophobicContact CG2-CB 4.04Å; T147-L192 HydrophobicContact CG2-CD1 4.33Å; E148-L192 HydrophobicContact CG-CD1 4.16Å; E148-L192 HydrophobicContact CG-CD2 4.03Å; L188-L192 WeakPolarHBondContact O-CB 3.49Å; L188-L192 PolarHBondContact O-N 3.33Å; L189-L192 PolarHBondContact O-N 3.11Å; L192-V194 VanDerWaalsContact C-N 3.28Å; L192-V194 PolarHBondContact O-N 2.98Å; L192-T195 PolarHBondContact O-N 3.17Å; L192-T195 PolarHBondContact O-OG1 2.98Å; L192-R196 CarbonylContact O-C 3.59Å; L192-R196 VanDerWaalsContact O-C 3.28Å; L192-R196 PolarHBondContact O-N 3.08Å; L192-A199 HydrophobicContact CD1-CB 4.28Å; L192-F200 HydrophobicContact CB-CB 4.49Å; L192-F200 HydrophobicContact CD2-CB 4.08Å; L192-F200 HydrophobicContact CG-CB 3.99Å; L192-V203 HydrophobicContact CD2-CB 4.44Å; L192-V203 HydrophobicContact CD2-CG2 3.86Å |
| 193 | R | 97.6 | Very high | 97.5 | Very high | 77 Ų | 77 | 79.7 Ų | 79.7 | 29% | 0.291 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.3 | -34.7 | 177.5 | -177.6 | 178.5 | 170.5 | 177 | 1.5 | 113.7 | L189 H191 Y197 F200 Y211 F213 | L189-R193 VanDerWaalsContact O-CB 3.32Å; L189-R193 WeakPolarHBondContact O-CB 3.47Å; L189-R193 PolarHBondContact O-N 3.33Å; H191-R193 VanDerWaalsContact C-N 3.27Å; H191-R193 PolarHBondContact O-N 3.04Å; R193-Y197 HydrophobicContact CG-CD2 4.2Å; R193-Y197 HydrophobicContact CG-CE2 4.4Å; R193-F200 HydrophobicContact CB-CB 4.44Å; R193-F200 HydrophobicContact CB-CD1 4.27Å; R193-F200 HydrophobicContact CB-CD2 3.9Å; R193-F200 HydrophobicContact CB-CE2 4.21Å; R193-F200 HydrophobicContact CB-CG 3.93Å; R193-F200 HydrophobicContact CG-CD1 4.17Å; R193-F200 HydrophobicContact CG-CE1 4.27Å; R193-F200 HydrophobicContact CG-CG 4.34Å; R193-Y211 VanDerWaalsContact NH1-CE1 3.27Å; R193-F213 VanDerWaalsContact CZ-CZ 3.49Å |
| 194 | V | 97.4 | Very high | 97.4 | Very high | 121 Ų | 121 | 76.2 Ų | 76.2 | 73% | 0.733 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -79.2 | -35.1 | 179 | 175.7 | 0 | 0 | 0 | 0 | 111 | K190 H191 L192 | K190-V194 WeakPolarHBondContact O-CG2 3.21Å; K190-V194 PolarHBondContact O-N 2.79Å; H191-V194 PolarHBondContact O-N 3.4Å; L192-V194 VanDerWaalsContact C-N 3.28Å; L192-V194 PolarHBondContact O-N 2.98Å |
| 195 | T | 96.8 | Very high | 97.4 | Very high | 78 Ų | 78 | 74.3 Ų | 74.3 | 48% | 0.479 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -86 | -46.5 | -176.4 | 56.6 | 0 | 0 | 0 | 0 | 113.6 | H191 L192 | H191-T195 PolarHBondContact O-N 3.27Å; H191-T195 PolarHBondContact O-OG1 3.43Å; L192-T195 PolarHBondContact O-N 3.17Å; L192-T195 PolarHBondContact O-OG1 2.98Å |
| 196 | R | 96.1 | Very high | 97.3 | Very high | 114 Ų | 114 | 76.5 Ų | 76.5 | 43% | 0.43 | 36% | 0.36 | S | S | . | . | trans | -145.3 | 101.9 | -175.9 | -71.6 | -175 | 62 | 175.5 | -4.1 | 110.9 | L192 A199 F200 | L192-R196 CarbonylContact O-C 3.59Å; L192-R196 VanDerWaalsContact O-C 3.28Å; L192-R196 PolarHBondContact O-N 3.08Å; R196-A199 HydrophobicContact CB-CB 4.13Å; R196-F200 PolarHBondContact O-N 3.01Å | ||
| 197 | Y | 97.3 | Very high | 97.2 | Very high | 125 Ų | 125 | 71.7 Ų | 71.7 | 49% | 0.49 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.9 | -43.8 | -175.7 | -168.9 | -97.3 | 0 | 0 | 0 | 113.2 | R193 A199 F200 E201 | R193-Y197 HydrophobicContact CG-CD2 4.2Å; R193-Y197 HydrophobicContact CG-CE2 4.4Å; Y197-A199 VanDerWaalsContact C-N 3.32Å; Y197-A199 PolarHBondContact O-N 2.61Å; Y197-F200 HydrophobicContact CD2-CD1 4.25Å; Y197-F200 HydrophobicContact CE2-CD1 4.1Å; Y197-F200 HydrophobicContact CE2-CE1 4.31Å; Y197-F200 WeakPolarHBondContact O-CA 3.05Å; Y197-F200 VanDerWaalsContact O-CB 3.31Å; Y197-F200 WeakPolarHBondContact O-CB 3.39Å; Y197-F200 PolarHBondContact O-N 3.33Å; Y197-E201 PolarHBondContact O-N 3.47Å |
| 198 | D | 96.7 | Very high | 97.1 | Very high | 127 Ų | 127 | 67 Ų | 67 | 68% | 0.679 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.9 | -43.6 | -177.7 | -44.2 | -32 | 0 | 0 | 0 | 111.8 | F200 E201 H202 | D198-F200 VanDerWaalsContact C-N 3.33Å; D198-F200 PolarHBondContact O-N 3.49Å; D198-E201 PolarHBondContact O-N 3.43Å; D198-H202 PolarHBondContact O-N 2.92Å |
| 199 | A | 95.9 | Very high | 97 | Very high | 11 Ų | 11 | 66.2 Ų | 66.2 | 9% | 0.091 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | E148 L192 R196 Y197 H202 V203 | E148-A199 HydrophobicContact CG-CB 4.37Å; E148-A199 WeakPolarHBondContact OE1-CB 3.48Å; L192-A199 HydrophobicContact CD1-CB 4.28Å; R196-A199 HydrophobicContact CB-CB 4.13Å; Y197-A199 VanDerWaalsContact C-N 3.32Å; Y197-A199 PolarHBondContact O-N 2.61Å; A199-H202 PolarHBondContact O-N 3.48Å; A199-V203 WeakPolarHBondContact O-CB 3.34Å; A199-V203 WeakPolarHBondContact O-CG2 3.13Å; A199-V203 PolarHBondContact O-N 2.95Å |
| 200 | F | 97.9 | Very high | 96.9 | Very high | 14 Ų | 14 | 72 Ų | 72 | 6% | 0.061 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 175.5 | 161.1 | -96.5 | 0 | 0 | 0 | 111.9 | L189 L192 R193 R196 Y197 D198 V203 C204 Y211 | L189-F200 HydrophobicContact CB-CE2 4.4Å; L189-F200 HydrophobicContact CD2-CD2 4.19Å; L189-F200 HydrophobicContact CD2-CE2 4.3Å; L192-F200 HydrophobicContact CB-CB 4.49Å; L192-F200 HydrophobicContact CD2-CB 4.08Å; L192-F200 HydrophobicContact CG-CB 3.99Å; R193-F200 HydrophobicContact CB-CB 4.44Å; R193-F200 HydrophobicContact CB-CD1 4.27Å; R193-F200 HydrophobicContact CB-CD2 3.9Å; R193-F200 HydrophobicContact CB-CE2 4.21Å; R193-F200 HydrophobicContact CB-CG 3.93Å; R193-F200 HydrophobicContact CG-CD1 4.17Å; R193-F200 HydrophobicContact CG-CE1 4.27Å; R193-F200 HydrophobicContact CG-CG 4.34Å; R196-F200 PolarHBondContact O-N 3.01Å; Y197-F200 HydrophobicContact CD2-CD1 4.25Å; Y197-F200 HydrophobicContact CE2-CD1 4.1Å; Y197-F200 HydrophobicContact CE2-CE1 4.31Å; Y197-F200 WeakPolarHBondContact O-CA 3.05Å; Y197-F200 VanDerWaalsContact O-CB 3.31Å; Y197-F200 WeakPolarHBondContact O-CB 3.39Å; Y197-F200 PolarHBondContact O-N 3.33Å; D198-F200 VanDerWaalsContact C-N 3.33Å; D198-F200 PolarHBondContact O-N 3.49Å; F200-V203 PolarHBondContact O-N 2.83Å; F200-C204 WeakPolarHBondContact O-CB 3.33Å; F200-C204 PolarHBondContact O-N 3.32Å; F200-Y211 HydrophobicContact CE2-CD2 4.02Å; F200-Y211 HydrophobicContact CE2-CG 4.05Å; F200-Y211 HydrophobicContact CZ-CD1 4.35Å; F200-Y211 HydrophobicContact CZ-CD2 4.3Å; F200-Y211 AromaticContact CZ-CG 3.86Å; F200-Y211 HydrophobicContact CZ-CG 3.86Å |
| 201 | E | 97.4 | Very high | 96.8 | Very high | 89 Ų | 89 | 68.1 Ų | 68.1 | 42% | 0.416 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63 | -48.1 | 177.5 | -175.4 | 171.1 | -173.4 | 0 | 0 | 111.4 | Y197 D198 V203 C204 Q205 | Y197-E201 PolarHBondContact O-N 3.47Å; D198-E201 PolarHBondContact O-N 3.43Å; E201-V203 PolarHBondContact O-N 3.19Å; E201-C204 WeakPolarHBondContact O-CB 3.24Å; E201-C204 PolarHBondContact O-N 2.93Å; E201-C204 VanDerWaalsContact O-N 3.13Å; E201-Q205 HydrophobicContact CG-CG 4.39Å; E201-Q205 WeakPolarHBondContact O-CG 3.41Å; E201-Q205 PolarHBondContact O-N 3.23Å; E201-Q205 PolarHBondContact OE1-NE2 2.9Å; E201-Q205 VanDerWaalsContact OE1-NE2 3.07Å |
| 202 | H | 97 | Very high | 96.8 | Very high | 78 Ų | 78 | 68.2 Ų | 68.2 | 36% | 0.361 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -55.6 | -48.4 | 176.5 | -177.1 | 64.2 | 0 | 0 | 0 | 112.1 | K136 D198 A199 C204 Q205 Q206 | K136-H202 PolarHBondContact O-NE2 3.24Å; D198-H202 PolarHBondContact O-N 2.92Å; A199-H202 PolarHBondContact O-N 3.48Å; H202-C204 VanDerWaalsContact C-N 3.32Å; H202-C204 PolarHBondContact O-N 2.82Å; H202-Q205 PolarHBondContact O-N 3.27Å; H202-Q206 VanDerWaalsContact CE1-CG 3.44Å; H202-Q206 WeakPolarHBondContact CE1-CG 3.15Å; H202-Q206 PolarHBondContact CE1-NE2 3.44Å; H202-Q206 WeakPolarHBondContact O-CB 3.35Å; H202-Q206 VanDerWaalsContact O-CG 3.29Å; H202-Q206 WeakPolarHBondContact O-CG 3.44Å; H202-Q206 PolarHBondContact O-N 3.44Å |
| 203 | V | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 177.4 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | V137 E148 V151 L189 L192 A199 F200 E201 L207 | V137-V203 HydrophobicContact CG1-CB 3.98Å; V137-V203 HydrophobicContact CG1-CG1 4.19Å; V137-V203 HydrophobicContact CG1-CG2 3.21Å; E148-V203 HydrophobicContact CB-CG2 3.94Å; E148-V203 HydrophobicContact CG-CG2 3.66Å; V151-V203 HydrophobicContact CB-CG1 4.37Å; V151-V203 HydrophobicContact CG1-CG1 3.76Å; L189-V203 HydrophobicContact CD2-CG1 4.29Å; L192-V203 HydrophobicContact CD2-CB 4.44Å; L192-V203 HydrophobicContact CD2-CG2 3.86Å; A199-V203 WeakPolarHBondContact O-CB 3.34Å; A199-V203 WeakPolarHBondContact O-CG2 3.13Å; A199-V203 PolarHBondContact O-N 2.95Å; F200-V203 PolarHBondContact O-N 2.83Å; E201-V203 PolarHBondContact O-N 3.19Å; V203-L207 HydrophobicContact CG1-CD1 3.79Å; V203-L207 HydrophobicContact CG1-CG 4.48Å; V203-L207 WeakPolarHBondContact O-CB 3.08Å; V203-L207 WeakPolarHBondContact O-CG 3.42Å; V203-L207 PolarHBondContact O-N 3.08Å; V203-L207 VanDerWaalsContact O-N 3.07Å |
| 204 | C | 97.1 | Very high | 96.6 | Very high | 19 Ų | 19 | 75.2 Ų | 75.2 | 13% | 0.128 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 179.1 | -90.2 | 0 | 0 | 0 | 0 | 112.1 | F200 E201 H202 G208 I209 | F200-C204 WeakPolarHBondContact O-CB 3.33Å; F200-C204 PolarHBondContact O-N 3.32Å; E201-C204 WeakPolarHBondContact O-CB 3.24Å; E201-C204 PolarHBondContact O-N 2.93Å; E201-C204 VanDerWaalsContact O-N 3.13Å; H202-C204 VanDerWaalsContact C-N 3.32Å; H202-C204 PolarHBondContact O-N 2.82Å; C204-G208 CarbonylContact O-C 3.47Å; C204-G208 WeakPolarHBondContact O-CA 3.48Å; C204-G208 PolarHBondContact O-N 3.49Å; C204-G208 VanDerWaalsContact O-N 3.09Å; C204-I209 WeakPolarHBondContact CB-O 3.43Å; C204-I209 PolarHBondContact O-N 2.99Å; C204-I209 PolarHBondContact SG-O 3.23Å |
| 205 | Q | 97.1 | Very high | 96.5 | Very high | 123 Ų | 123 | 73 Ų | 73 | 58% | 0.575 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66.8 | -53.9 | 177.4 | -68 | 178.2 | 7.1 | 0 | 0 | 111.4 | E201 H202 L207 G208 | E201-Q205 HydrophobicContact CG-CG 4.39Å; E201-Q205 WeakPolarHBondContact O-CG 3.41Å; E201-Q205 PolarHBondContact O-N 3.23Å; E201-Q205 PolarHBondContact OE1-NE2 2.9Å; E201-Q205 VanDerWaalsContact OE1-NE2 3.07Å; H202-Q205 PolarHBondContact O-N 3.27Å; Q205-L207 PolarHBondContact O-N 2.89Å; Q205-G208 PolarHBondContact O-N 2.94Å |
| 206 | Q | 96.6 | Very high | 96.4 | Very high | 86 Ų | 86 | 76.8 Ų | 76.8 | 40% | 0.402 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.8 | -37.8 | -175.9 | -68.3 | -59.9 | -30.1 | 0 | 0 | 113.5 | V137 H202 | V137-Q206 HydrophobicContact CG2-CB 4.2Å; H202-Q206 VanDerWaalsContact CE1-CG 3.44Å; H202-Q206 WeakPolarHBondContact CE1-CG 3.15Å; H202-Q206 PolarHBondContact CE1-NE2 3.44Å; H202-Q206 WeakPolarHBondContact O-CB 3.35Å; H202-Q206 VanDerWaalsContact O-CG 3.29Å; H202-Q206 WeakPolarHBondContact O-CG 3.44Å; H202-Q206 PolarHBondContact O-N 3.44Å |
| 207 | L | 95.9 | Very high | 96.4 | Very high | 5 Ų | 5 | 78.2 Ų | 78.2 | 3% | 0.026 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -91.8 | -7.3 | -179 | -60.1 | -179.6 | 0 | 0 | 0 | 113.4 | L133 V137 V151 A152 R159 V203 Q205 I209 | L133-L207 HydrophobicContact CB-CD2 4.47Å; L133-L207 HydrophobicContact CD2-CD2 3.83Å; V137-L207 HydrophobicContact CG2-CD1 4.45Å; V137-L207 HydrophobicContact CG2-CD2 4.04Å; V137-L207 HydrophobicContact CG2-CG 4.1Å; V151-L207 HydrophobicContact CG1-CD1 3.91Å; A152-L207 HydrophobicContact CB-CD1 4.32Å; R159-L207 PolarHBondContact NH2-O 3.35Å; V203-L207 HydrophobicContact CG1-CD1 3.79Å; V203-L207 HydrophobicContact CG1-CG 4.48Å; V203-L207 WeakPolarHBondContact O-CB 3.08Å; V203-L207 WeakPolarHBondContact O-CG 3.42Å; V203-L207 PolarHBondContact O-N 3.08Å; V203-L207 VanDerWaalsContact O-N 3.07Å; Q205-L207 PolarHBondContact O-N 2.89Å; L207-I209 HydrophobicContact CB-CD1 3.64Å; L207-I209 HydrophobicContact CB-CG1 3.78Å; L207-I209 HydrophobicContact CD1-CD1 3.85Å; L207-I209 HydrophobicContact CG-CD1 4.42Å |
| 208 | G | 95.5 | Very high | 96.3 | Very high | 66 Ų | 66 | 81.4 Ų | 81.4 | 68% | 0.68 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 43.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | C204 Q205 | C204-G208 CarbonylContact O-C 3.47Å; C204-G208 WeakPolarHBondContact O-CA 3.48Å; C204-G208 PolarHBondContact O-N 3.49Å; C204-G208 VanDerWaalsContact O-N 3.09Å; Q205-G208 PolarHBondContact O-N 2.94Å |
| 209 | I | 96 | Very high | 96.2 | Very high | 20 Ų | 20 | 85 Ų | 85 | 10% | 0.103 | 42% | 0.424 | C | S | . | . | trans | -106.1 | 118.3 | -176.9 | -56.9 | 170.8 | 0 | 0 | 0 | 110 | V151 L189 C204 L207 | V151-I209 HydrophobicContact CG1-CD1 4.17Å; L189-I209 HydrophobicContact CD1-CG2 3.95Å; C204-I209 WeakPolarHBondContact CB-O 3.43Å; C204-I209 PolarHBondContact O-N 2.99Å; C204-I209 PolarHBondContact SG-O 3.23Å; L207-I209 HydrophobicContact CB-CD1 3.64Å; L207-I209 HydrophobicContact CB-CG1 3.78Å; L207-I209 HydrophobicContact CD1-CD1 3.85Å; L207-I209 HydrophobicContact CG-CD1 4.42Å | ||
| 210 | T | 96.6 | Very high | 96.2 | Very high | 126 Ų | 126 | 92.6 Ų | 92.6 | 77% | 0.773 | 46% | 0.458 | S | S | * | . | trans | -85.4 | 119 | 169.9 | -45.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 211 | Y | 96.7 | Very high | 96 | Very high | 48 Ų | 48 | 94.1 Ų | 94.1 | 19% | 0.188 | 47% | 0.473 | C | S | . | . | trans | -82.8 | 122 | 174.3 | -175.3 | -92 | 0 | 0 | 0 | 110.7 | L189 R193 F200 F213 | L189-Y211 HydrophobicContact CB-CD2 4.03Å; L189-Y211 HydrophobicContact CB-CE2 4.12Å; L189-Y211 HydrophobicContact CD1-CD2 4.49Å; R193-Y211 VanDerWaalsContact NH1-CE1 3.27Å; F200-Y211 HydrophobicContact CE2-CD2 4.02Å; F200-Y211 HydrophobicContact CE2-CG 4.05Å; F200-Y211 HydrophobicContact CZ-CD1 4.35Å; F200-Y211 HydrophobicContact CZ-CD2 4.3Å; F200-Y211 AromaticContact CZ-CG 3.86Å; F200-Y211 HydrophobicContact CZ-CG 3.86Å; Y211-F213 HydrophobicContact CE1-CD1 4.1Å; Y211-F213 HydrophobicContact CE1-CE1 4.38Å; Y211-F213 HydrophobicContact CE1-CG 4.41Å | ||
| 212 | T | 96.1 | Very high | 96 | Very high | 104 Ų | 104 | 93.3 Ų | 93.3 | 64% | 0.638 | 47% | 0.474 | S | S | * | . | trans | -113.3 | 135.9 | 173.9 | 51.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 213 | F | 95.9 | Very high | 96.1 | Very high | 142 Ų | 142 | 100.5 Ų | 100.5 | 62% | 0.623 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 139.9 | 174.9 | -66.4 | -86.7 | 0 | 0 | 0 | 110.5 | R193 Y211 | R193-F213 VanDerWaalsContact CZ-CZ 3.49Å; Y211-F213 HydrophobicContact CE1-CD1 4.1Å; Y211-F213 HydrophobicContact CE1-CE1 4.38Å; Y211-F213 HydrophobicContact CE1-CG 4.41Å |
| 214 | P | 94.7 | Very high | 96.1 | Very high | 84 Ų | 84 | 111 Ų | 111 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 142.7 | 171.8 | 28.4 | -33.2 | 0 | 0 | 0 | 109.7 | ||
| 215 | P | 95.5 | Very high | 96.1 | Very high | 75 Ų | 75 | 116.1 Ų | 116.1 | 49% | 0.487 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 148.1 | 171.7 | 30.1 | -34.9 | 0 | 0 | 0 | 109.6 | Y217 Y218 | P215-Y217 VanDerWaalsContact C-N 3.29Å; P215-Y217 PolarHBondContact O-N 3.35Å; P215-Y218 HydrophobicContact CG-CD1 4.06Å; P215-Y218 HydrophobicContact CG-CE1 3.72Å |
| 216 | E | 95.2 | Very high | 96.2 | Very high | 156 Ų | 156 | 114.6 Ų | 114.6 | 73% | 0.729 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -60.4 | -40.6 | 178.4 | -170.9 | 179.5 | -174.5 | 0 | 0 | 112 | ||
| 217 | Y | 95.9 | Very high | 96.2 | Very high | 144 Ų | 144 | 113.5 Ų | 113.5 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | trans | -128.8 | 130.2 | -179.9 | -51.3 | -70.2 | 0 | 0 | 0 | 111.8 | P215 R219 | P215-Y217 VanDerWaalsContact C-N 3.29Å; P215-Y217 PolarHBondContact O-N 3.35Å; Y217-R219 PolarHBondContact O-N 3.27Å | ||
| 218 | Y | 95.4 | Very high | 96.3 | Very high | 192 Ų | 192 | 120 Ų | 120 | 75% | 0.753 | 58% | 0.584 | S | S | * | * | trans | -86.6 | 96.5 | 169.4 | -61.7 | -84.7 | 0 | 0 | 0 | 109.3 | P215 | P215-Y218 HydrophobicContact CG-CD1 4.06Å; P215-Y218 HydrophobicContact CG-CE1 3.72Å | ||
| 219 | R | 94.1 | Very high | 96.5 | Very high | 202 Ų | 202 | 122 Ų | 122 | 76% | 0.762 | 57% | 0.573 | S | S | * | * | trans | -108.8 | 139.9 | 175.4 | -66.1 | -175.4 | -178.5 | 175.6 | 2.1 | 111 | Y217 A221 | Y217-R219 PolarHBondContact O-N 3.27Å; R219-A221 PolarHBondContact O-N 3.32Å | ||
| 220 | H | 95.1 | Very high | 96.6 | Very high | 171 Ų | 171 | 123.3 Ų | 123.3 | 79% | 0.792 | 59% | 0.587 | S | S | * | * | trans | -77.9 | 118.1 | 172.2 | -173.3 | 69.1 | 0 | 0 | 0 | 110.5 | T222 | H220-T222 PolarHBondContact O-N 3.13Š| ||
| 221 | A | 95.5 | Very high | 96.7 | Very high | 47 Ų | 47 | 122.5 Ų | 122.5 | 39% | 0.388 | 58% | 0.578 | S | S | . | * | trans | -79.2 | 100.9 | 180 | 0 | 0 | 0 | 0 | 0 | 110.9 | R219 W225 L226 | R219-A221 PolarHBondContact O-N 3.32Å; A221-W225 HydrophobicContact CB-CE3 3.94Å; A221-W225 HydrophobicContact CB-CZ3 4.08Å; A221-L226 HydrophobicContact CB-CD1 4.47Å; A221-L226 HydrophobicContact CB-CD2 3.96Å; A221-L226 HydrophobicContact CB-CG 4.13Å | ||
| 222 | T | 97.5 | Very high | 96.8 | Very high | 71 Ų | 71 | 123.3 Ų | 123.3 | 44% | 0.436 | 59% | 0.59 | S | S | . | * | trans | -75.2 | 156.4 | 174.9 | 63.1 | 0 | 0 | 0 | 0 | 111.6 | H220 R224 W225 L226 | H220-T222 PolarHBondContact O-N 3.13Å; T222-R224 VanDerWaalsContact C-N 3.3Å; T222-R224 PolarHBondContact O-N 3.24Å; T222-W225 PolarHBondContact O-N 3.2Å; T222-W225 WeakPolarHBondContact OG1-CB 3.41Å; T222-W225 PolarHBondContact OG1-N 3.25Å; T222-L226 WeakPolarHBondContact O-CG 2.93Å; T222-L226 PolarHBondContact O-N 3.43Å | ||
| 223 | R | 97.3 | Very high | 96.9 | Very high | 230 Ų | 230 | 122 Ų | 122 | 87% | 0.868 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -54.3 | -44.6 | 177.9 | -67.1 | -177.4 | -179 | 178.8 | 0.8 | 112.5 | W225 L226 A227 | R223-W225 PolarHBondContact O-N 2.79Å; R223-L226 PolarHBondContact O-N 3.25Å; R223-A227 PolarHBondContact O-N 3.24Å |
| 224 | R | 98.2 | Very high | 97 | Very high | 219 Ų | 219 | 122.1 Ų | 122.1 | 83% | 0.826 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -59.2 | -45.6 | 176 | -177.7 | -179.6 | 178.2 | -168.2 | 0.5 | 111.6 | T222 A227 K228 | T222-R224 VanDerWaalsContact C-N 3.3Å; T222-R224 PolarHBondContact O-N 3.24Å; R224-A227 PolarHBondContact O-N 3.21Å; R224-K228 WeakPolarHBondContact O-CB 3.31Å; R224-K228 PolarHBondContact O-N 3.09Å |
| 225 | W | 97.6 | Very high | 97.2 | Very high | 128 Ų | 128 | 121.9 Ų | 121.9 | 49% | 0.485 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.9 | -42.9 | 178.6 | -177.2 | 90.4 | 0 | 0 | 0 | 111.8 | A221 T222 R223 K228 K229 | A221-W225 HydrophobicContact CB-CE3 3.94Å; A221-W225 HydrophobicContact CB-CZ3 4.08Å; T222-W225 PolarHBondContact O-N 3.2Å; T222-W225 WeakPolarHBondContact OG1-CB 3.41Å; T222-W225 PolarHBondContact OG1-N 3.25Å; R223-W225 PolarHBondContact O-N 2.79Å; W225-K228 PolarHBondContact O-N 2.87Å; W225-K229 HydrophobicContact CE3-CB 4.5Å; W225-K229 HydrophobicContact CH2-CB 4.43Å; W225-K229 HydrophobicContact CH2-CG 4.14Å; W225-K229 HydrophobicContact CZ2-CB 4.48Å; W225-K229 HydrophobicContact CZ2-CD 4.31Å; W225-K229 HydrophobicContact CZ2-CG 4.29Å; W225-K229 HydrophobicContact CZ3-CB 4.44Å; W225-K229 VanDerWaalsContact O-CB 3.28Å; W225-K229 WeakPolarHBondContact O-CB 3.37Å; W225-K229 PolarHBondContact O-N 3.14Å |
| 226 | L | 98 | Very high | 97.3 | Very high | 91 Ų | 91 | 124.4 Ų | 124.4 | 48% | 0.476 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.1 | -46.9 | 176.7 | -70.7 | 170.4 | 0 | 0 | 0 | 111.8 | A221 T222 R223 K229 A230 | A221-L226 HydrophobicContact CB-CD1 4.47Å; A221-L226 HydrophobicContact CB-CD2 3.96Å; A221-L226 HydrophobicContact CB-CG 4.13Å; T222-L226 WeakPolarHBondContact O-CG 2.93Å; T222-L226 PolarHBondContact O-N 3.43Å; R223-L226 PolarHBondContact O-N 3.25Å; L226-K229 PolarHBondContact O-N 3.4Å; L226-A230 WeakPolarHBondContact O-CB 3.34Å; L226-A230 PolarHBondContact O-N 3.17Å |
| 227 | A | 97.9 | Very high | 97.5 | Very high | 63 Ų | 63 | 123.5 Ų | 123.5 | 52% | 0.521 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.9 | -47.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R223 R224 K229 A230 L231 | R223-A227 PolarHBondContact O-N 3.24Å; R224-A227 PolarHBondContact O-N 3.21Å; A227-K229 PolarHBondContact O-N 3.24Å; A227-A230 PolarHBondContact O-N 2.89Å; A227-L231 WeakPolarHBondContact O-CB 3.48Å; A227-L231 PolarHBondContact O-N 3.42Å |
| 228 | K | 98.5 | Very high | 97.6 | Very high | 142 Ų | 142 | 121.7 Ų | 121.7 | 62% | 0.617 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59.5 | -47 | 176.3 | -175.6 | 176.2 | -178.5 | 177.2 | 0 | 111.2 | R224 W225 A230 L231 C232 | R224-K228 WeakPolarHBondContact O-CB 3.31Å; R224-K228 PolarHBondContact O-N 3.09Å; W225-K228 PolarHBondContact O-N 2.87Å; K228-A230 PolarHBondContact O-N 3.14Å; K228-L231 PolarHBondContact O-N 2.92Å; K228-C232 PolarHBondContact O-N 3.4Å; K228-C232 PolarHBondContact O-SG 3.3Å |
| 229 | K | 97.9 | Very high | 97.8 | Very high | 107 Ų | 107 | 115.2 Ų | 115.2 | 47% | 0.465 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | -179.5 | -172 | 66.9 | -177.9 | -179.2 | 0 | 111.5 | W225 L226 A227 C232 I233 | W225-K229 HydrophobicContact CE3-CB 4.5Å; W225-K229 HydrophobicContact CH2-CB 4.43Å; W225-K229 HydrophobicContact CH2-CG 4.14Å; W225-K229 HydrophobicContact CZ2-CB 4.48Å; W225-K229 HydrophobicContact CZ2-CD 4.31Å; W225-K229 HydrophobicContact CZ2-CG 4.29Å; W225-K229 HydrophobicContact CZ3-CB 4.44Å; W225-K229 VanDerWaalsContact O-CB 3.28Å; W225-K229 WeakPolarHBondContact O-CB 3.37Å; W225-K229 PolarHBondContact O-N 3.14Å; L226-K229 PolarHBondContact O-N 3.4Å; A227-K229 PolarHBondContact O-N 3.24Å; K229-C232 PolarHBondContact O-N 3.05Å; K229-I233 HydrophobicContact CG-CD1 4.14Å; K229-I233 VanDerWaalsContact O-CG1 3.29Å; K229-I233 WeakPolarHBondContact O-CG1 3.49Å; K229-I233 PolarHBondContact O-N 3.06Å |
| 230 | A | 98.2 | Very high | 98 | Very high | 47 Ų | 47 | 109.3 Ų | 109.3 | 39% | 0.388 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L226 A227 K228 I233 K234 | L226-A230 WeakPolarHBondContact O-CB 3.34Å; L226-A230 PolarHBondContact O-N 3.17Å; A227-A230 PolarHBondContact O-N 2.89Å; K228-A230 PolarHBondContact O-N 3.14Å; A230-I233 PolarHBondContact O-N 3.19Å; A230-K234 WeakPolarHBondContact O-CG 3.44Å; A230-K234 PolarHBondContact O-N 2.8Å |
| 231 | L | 98.6 | Very high | 98.1 | Very high | 110 Ų | 110 | 106.4 Ų | 106.4 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60 | -50 | 174.4 | 179.5 | 66.3 | 0 | 0 | 0 | 111.1 | A227 K228 I233 K234 V235 | A227-L231 WeakPolarHBondContact O-CB 3.48Å; A227-L231 PolarHBondContact O-N 3.42Å; K228-L231 PolarHBondContact O-N 2.92Å; L231-I233 VanDerWaalsContact C-N 3.28Å; L231-I233 PolarHBondContact O-N 3.39Å; L231-K234 WeakPolarHBondContact O-CB 3.27Å; L231-K234 PolarHBondContact O-N 3.17Å; L231-K234 VanDerWaalsContact O-N 3.09Å; L231-V235 HydrophobicContact CD1-CG2 4.23Å; L231-V235 HydrophobicContact CG-CG2 4.37Å; L231-V235 WeakPolarHBondContact O-CG2 3.42Å; L231-V235 PolarHBondContact O-N 3.31Å |
| 232 | C | 98.6 | Very high | 98.2 | Very high | 65 Ų | 65 | 109.3 Ų | 109.3 | 44% | 0.439 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.4 | -39.8 | 178.7 | -67 | 0 | 0 | 0 | 0 | 112.4 | K228 K229 F236 | K228-C232 PolarHBondContact O-N 3.4Å; K228-C232 PolarHBondContact O-SG 3.3Å; K229-C232 PolarHBondContact O-N 3.05Å; C232-F236 VanDerWaalsContact O-CB 3.28Å; C232-F236 WeakPolarHBondContact O-CB 3.46Å; C232-F236 PolarHBondContact O-N 3.48Å |
| 233 | I | 98.4 | Very high | 98.2 | Very high | 76 Ų | 76 | 111.3 Ų | 111.3 | 39% | 0.39 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 176.1 | -68.9 | 164.2 | 0 | 0 | 0 | 110.9 | K229 A230 L231 F236 K237 | K229-I233 HydrophobicContact CG-CD1 4.14Å; K229-I233 VanDerWaalsContact O-CG1 3.29Å; K229-I233 WeakPolarHBondContact O-CG1 3.49Å; K229-I233 PolarHBondContact O-N 3.06Å; A230-I233 PolarHBondContact O-N 3.19Å; L231-I233 VanDerWaalsContact C-N 3.28Å; L231-I233 PolarHBondContact O-N 3.39Å; I233-F236 PolarHBondContact O-N 3.33Å; I233-K237 HydrophobicContact CG2-CD 4.36Å; I233-K237 WeakPolarHBondContact O-CG 3.4Å; I233-K237 PolarHBondContact O-N 3.41Å; I233-K237 VanDerWaalsContact O-N 3.08Å |
| 234 | K | 98.6 | Very high | 98.2 | Very high | 144 Ų | 144 | 104.9 Ų | 104.9 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.7 | -51.8 | 177.3 | -71.9 | 178.9 | 178.7 | -174.6 | 0 | 111.4 | A230 L231 F236 K237 E238 | A230-K234 WeakPolarHBondContact O-CG 3.44Å; A230-K234 PolarHBondContact O-N 2.8Å; L231-K234 WeakPolarHBondContact O-CB 3.27Å; L231-K234 PolarHBondContact O-N 3.17Å; L231-K234 VanDerWaalsContact O-N 3.09Å; K234-F236 VanDerWaalsContact C-N 3.28Å; K234-F236 PolarHBondContact O-N 3.37Å; K234-K237 PolarHBondContact O-N 3.33Å; K234-K237 VanDerWaalsContact O-N 3.11Å; K234-E238 PolarHBondContact O-N 3.39Å |
| 235 | V | 98.8 | Very high | 98.1 | Very high | 79 Ų | 79 | 98.6 Ų | 98.6 | 48% | 0.479 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.3 | -44 | 178.4 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | L231 K237 E238 V239 | L231-V235 HydrophobicContact CD1-CG2 4.23Å; L231-V235 HydrophobicContact CG-CG2 4.37Å; L231-V235 WeakPolarHBondContact O-CG2 3.42Å; L231-V235 PolarHBondContact O-N 3.31Å; V235-K237 PolarHBondContact O-N 3.21Å; V235-E238 PolarHBondContact O-N 3.43Å; V235-V239 HydrophobicContact CG1-CG2 4.38Å; V235-V239 WeakPolarHBondContact O-CG2 3.49Å; V235-V239 PolarHBondContact O-N 3.34Å |
| 236 | F | 98.7 | Very high | 98 | Very high | 129 Ų | 129 | 98 Ų | 98 | 57% | 0.566 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.5 | -45.9 | 176.7 | 177.9 | -99.1 | 0 | 0 | 0 | 112.2 | C232 I233 K234 E238 V239 Q240 | C232-F236 VanDerWaalsContact O-CB 3.28Å; C232-F236 WeakPolarHBondContact O-CB 3.46Å; C232-F236 PolarHBondContact O-N 3.48Å; I233-F236 PolarHBondContact O-N 3.33Å; K234-F236 VanDerWaalsContact C-N 3.28Å; K234-F236 PolarHBondContact O-N 3.37Å; F236-E238 PolarHBondContact O-N 3.28Å; F236-V239 PolarHBondContact O-N 3.21Å; F236-Q240 HydrophobicContact CD1-CG 4.29Å; F236-Q240 HydrophobicContact CE1-CG 3.88Å; F236-Q240 HydrophobicContact CE2-CG 4.2Å; F236-Q240 HydrophobicContact CZ-CG 3.83Å; F236-Q240 WeakPolarHBondContact O-CG 3.36Å; F236-Q240 PolarHBondContact O-N 3.46Å |
| 237 | K | 98.5 | Very high | 97.8 | Very high | 137 Ų | 137 | 102.4 Ų | 102.4 | 60% | 0.596 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62 | -42.5 | 178.3 | -73 | 177.9 | 177.7 | -171 | 0 | 112.3 | I233 K234 V235 Q240 K241 | I233-K237 HydrophobicContact CG2-CD 4.36Å; I233-K237 WeakPolarHBondContact O-CG 3.4Å; I233-K237 PolarHBondContact O-N 3.41Å; I233-K237 VanDerWaalsContact O-N 3.08Å; K234-K237 PolarHBondContact O-N 3.33Å; K234-K237 VanDerWaalsContact O-N 3.11Å; V235-K237 PolarHBondContact O-N 3.21Å; K237-Q240 PolarHBondContact O-N 2.86Å; K237-K241 PolarHBondContact O-N 3.11Å |
| 238 | E | 98.5 | Very high | 97.6 | Very high | 106 Ų | 106 | 106 Ų | 106 | 50% | 0.495 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 177.8 | -67.8 | -53.7 | 141.1 | 0 | 0 | 112.1 | K234 V235 F236 Q240 K241 Q242 | K234-E238 PolarHBondContact O-N 3.39Å; V235-E238 PolarHBondContact O-N 3.43Å; F236-E238 PolarHBondContact O-N 3.28Å; E238-Q240 VanDerWaalsContact C-N 3.32Å; E238-Q240 PolarHBondContact O-N 2.99Å; E238-K241 WeakPolarHBondContact O-CB 3.37Å; E238-K241 PolarHBondContact O-N 2.97Å; E238-K241 VanDerWaalsContact O-N 3.16Å; E238-Q242 WeakPolarHBondContact O-CG 3.24Å; E238-Q242 PolarHBondContact O-N 3.42Å |
| 239 | V | 98.6 | Very high | 97.3 | Very high | 56 Ų | 56 | 105.8 Ų | 105.8 | 34% | 0.339 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 176.4 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | V235 F236 K241 Q242 K243 | V235-V239 HydrophobicContact CG1-CG2 4.38Å; V235-V239 WeakPolarHBondContact O-CG2 3.49Å; V235-V239 PolarHBondContact O-N 3.34Å; F236-V239 PolarHBondContact O-N 3.21Å; V239-K241 VanDerWaalsContact C-N 3.34Å; V239-Q242 PolarHBondContact O-N 3.38Å; V239-K243 HydrophobicContact CG1-CD 4.37Å; V239-K243 WeakPolarHBondContact O-CG 3.48Å; V239-K243 PolarHBondContact O-N 3.33Å |
| 240 | Q | 98.1 | Very high | 97 | Very high | 77 Ų | 77 | 106.6 Ų | 106.6 | 36% | 0.36 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 175.5 | -69.5 | -58.1 | -41.5 | 0 | 0 | 111.8 | F236 K237 E238 K243 L244 | F236-Q240 HydrophobicContact CD1-CG 4.29Å; F236-Q240 HydrophobicContact CE1-CG 3.88Å; F236-Q240 HydrophobicContact CE2-CG 4.2Å; F236-Q240 HydrophobicContact CZ-CG 3.83Å; F236-Q240 WeakPolarHBondContact O-CG 3.36Å; F236-Q240 PolarHBondContact O-N 3.46Å; K237-Q240 PolarHBondContact O-N 2.86Å; E238-Q240 VanDerWaalsContact C-N 3.32Å; E238-Q240 PolarHBondContact O-N 2.99Å; Q240-K243 PolarHBondContact O-N 3.06Å; Q240-L244 VanDerWaalsContact O-CG 3.29Å; Q240-L244 WeakPolarHBondContact O-CG 3.48Å; Q240-L244 PolarHBondContact O-N 3.42Å |
| 241 | K | 98.2 | Very high | 96.5 | Very high | 111 Ų | 111 | 113.4 Ų | 113.4 | 48% | 0.483 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.3 | -48.9 | 176.9 | -175.4 | -176.8 | 172.7 | -170.4 | 0 | 111.6 | K237 E238 V239 K243 L244 E245 | K237-K241 PolarHBondContact O-N 3.11Å; E238-K241 WeakPolarHBondContact O-CB 3.37Å; E238-K241 PolarHBondContact O-N 2.97Å; E238-K241 VanDerWaalsContact O-N 3.16Å; V239-K241 VanDerWaalsContact C-N 3.34Å; K241-K243 PolarHBondContact O-N 3Å; K241-L244 PolarHBondContact O-N 3.12Å; K241-E245 WeakPolarHBondContact CE-OE1 3.44Å; K241-E245 WeakPolarHBondContact O-CG 3.4Å; K241-E245 PolarHBondContact O-N 2.84Å |
| 242 | Q | 97.9 | Very high | 95.8 | Very high | 107 Ų | 107 | 115.5 Ų | 115.5 | 50% | 0.5 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 177.5 | -69.9 | 176.8 | -8 | 0 | 0 | 112.2 | E238 V239 L244 E245 Q246 | E238-Q242 WeakPolarHBondContact O-CG 3.24Å; E238-Q242 PolarHBondContact O-N 3.42Å; V239-Q242 PolarHBondContact O-N 3.38Å; Q242-L244 VanDerWaalsContact C-N 3.35Å; Q242-L244 PolarHBondContact O-N 3Å; Q242-E245 PolarHBondContact O-N 2.93Å; Q242-Q246 WeakPolarHBondContact O-CG 3.47Å; Q242-Q246 PolarHBondContact O-N 3.23Å |
| 243 | K | 97.7 | Very high | 94.9 | Very high | 113 Ų | 113 | 116.8 Ų | 116.8 | 49% | 0.491 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 176.1 | -75.1 | -176.6 | 177.5 | -171.1 | 0 | 112.3 | V239 Q240 K241 Q246 R247 | V239-K243 HydrophobicContact CG1-CD 4.37Å; V239-K243 WeakPolarHBondContact O-CG 3.48Å; V239-K243 PolarHBondContact O-N 3.33Å; Q240-K243 PolarHBondContact O-N 3.06Å; K241-K243 PolarHBondContact O-N 3Å; K243-Q246 PolarHBondContact O-N 2.78Å; K243-R247 VanDerWaalsContact O-CG 3.28Å; K243-R247 WeakPolarHBondContact O-CG 3.38Å; K243-R247 PolarHBondContact O-N 3.47Å |
| 244 | L | 96 | Very high | 93.4 | Very high | 96 Ų | 96 | 118.1 Ų | 118.1 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64 | -41.3 | 175.8 | -72.4 | 170.6 | 0 | 0 | 0 | 111.6 | Q240 K241 Q242 R247 K248 | Q240-L244 VanDerWaalsContact O-CG 3.29Å; Q240-L244 WeakPolarHBondContact O-CG 3.48Å; Q240-L244 PolarHBondContact O-N 3.42Å; K241-L244 PolarHBondContact O-N 3.12Å; Q242-L244 VanDerWaalsContact C-N 3.35Å; Q242-L244 PolarHBondContact O-N 3Å; L244-R247 PolarHBondContact O-N 3.19Å; L244-K248 WeakPolarHBondContact O-CG 3.36Å; L244-K248 PolarHBondContact O-N 3.12Å |
| 245 | E | 96.5 | Very high | 91.9 | Very high | 87 Ų | 87 | 116.5 Ų | 116.5 | 41% | 0.407 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.6 | -44.2 | 175.5 | -71.7 | 170.4 | -170.3 | 0 | 0 | 111.8 | K241 Q242 R247 K248 K249 | K241-E245 WeakPolarHBondContact CE-OE1 3.44Å; K241-E245 WeakPolarHBondContact O-CG 3.4Å; K241-E245 PolarHBondContact O-N 2.84Å; Q242-E245 PolarHBondContact O-N 2.93Å; E245-R247 PolarHBondContact O-N 3.15Å; E245-K248 PolarHBondContact O-N 3.32Å; E245-K249 WeakPolarHBondContact O-CG 3.27Å; E245-K249 PolarHBondContact O-N 3.12Å |
| 246 | Q | 95.8 | Very high | 90.3 | Very high | 115 Ų | 115 | 118.4 Ų | 118.4 | 54% | 0.537 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.6 | -44.5 | 174.6 | -72.3 | 173.2 | -8.9 | 0 | 0 | 111.9 | Q242 K243 K248 K249 I250 | Q242-Q246 WeakPolarHBondContact O-CG 3.47Å; Q242-Q246 PolarHBondContact O-N 3.23Å; K243-Q246 PolarHBondContact O-N 2.78Å; Q246-K248 VanDerWaalsContact C-N 3.35Å; Q246-K248 PolarHBondContact O-N 3.45Å; Q246-K249 WeakPolarHBondContact O-CB 3.42Å; Q246-K249 PolarHBondContact O-N 3.33Å; Q246-I250 WeakPolarHBondContact O-CG1 3.49Å; Q246-I250 PolarHBondContact O-N 2.69Å |
| 247 | R | 93.4 | Very high | 88.4 | Confident | 184 Ų | 184 | 118.7 Ų | 118.7 | 69% | 0.694 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.4 | -39 | 175.8 | -70.3 | 176.3 | 89.9 | -177.3 | 7.7 | 112.3 | K243 L244 E245 K251 | K243-R247 VanDerWaalsContact O-CG 3.28Å; K243-R247 WeakPolarHBondContact O-CG 3.38Å; K243-R247 PolarHBondContact O-N 3.47Å; L244-R247 PolarHBondContact O-N 3.19Å; E245-R247 PolarHBondContact O-N 3.15Å; R247-K251 WeakPolarHBondContact O-CB 3.05Å; R247-K251 PolarHBondContact O-N 3.48Å |
| 248 | K | 93.6 | Very high | 86.4 | Confident | 137 Ų | 137 | 120.7 Ų | 120.7 | 60% | 0.596 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.8 | -44.6 | 174 | -76.4 | 178.8 | -179.2 | -174.4 | 0 | 111.3 | L244 E245 Q246 K251 Q252 | L244-K248 WeakPolarHBondContact O-CG 3.36Å; L244-K248 PolarHBondContact O-N 3.12Å; E245-K248 PolarHBondContact O-N 3.32Å; Q246-K248 VanDerWaalsContact C-N 3.35Å; Q246-K248 PolarHBondContact O-N 3.45Å; K248-K251 PolarHBondContact O-N 3.13Å; K248-Q252 WeakPolarHBondContact O-CB 3.19Å; K248-Q252 VanDerWaalsContact O-CG 3.28Å; K248-Q252 WeakPolarHBondContact O-CG 3.45Å; K248-Q252 PolarHBondContact O-N 3.2Å |
| 249 | K | 93.4 | Very high | 84.1 | Confident | 138 Ų | 138 | 119.7 Ų | 119.7 | 60% | 0.6 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -58.4 | -53.1 | 175.3 | -72.5 | 177.4 | -178.3 | -174.5 | 0 | 110.7 | E245 Q246 K251 Q252 T253 | E245-K249 WeakPolarHBondContact O-CG 3.27Å; E245-K249 PolarHBondContact O-N 3.12Å; Q246-K249 WeakPolarHBondContact O-CB 3.42Å; Q246-K249 PolarHBondContact O-N 3.33Å; K249-K251 VanDerWaalsContact C-N 3.28Å; K249-K251 PolarHBondContact O-N 2.91Å; K249-Q252 CarbonylContact O-C 3.28Å; K249-Q252 WeakPolarHBondContact O-CA 3.27Å; K249-Q252 WeakPolarHBondContact O-CB 3.41Å; K249-Q252 PolarHBondContact O-N 3.28Å; K249-T253 PolarHBondContact O-N 3.39Å; K249-T253 PolarHBondContact O-OG1 3.17Å |
| 250 | I | 90.9 | Very high | 81.7 | Confident | 124 Ų | 124 | 125 Ų | 125 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -56.8 | -39.4 | 177.5 | -66.3 | 163.9 | 0 | 0 | 0 | 112.1 | Q246 Q252 T253 | Q246-I250 WeakPolarHBondContact O-CG1 3.49Å; Q246-I250 PolarHBondContact O-N 2.69Å; I250-Q252 VanDerWaalsContact C-N 3.32Å; I250-T253 PolarHBondContact O-N 2.7Å; I250-T253 VanDerWaalsContact O-O 3.05Å |
| 251 | K | 88.6 | Confident | 79.3 | Confident | 191 Ų | 191 | 127.3 Ų | 127.3 | 83% | 0.83 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.9 | -29.1 | 177.5 | -171 | 175.7 | -179 | -177.8 | 0 | 112.9 | R247 K248 K249 | R247-K251 WeakPolarHBondContact O-CB 3.05Å; R247-K251 PolarHBondContact O-N 3.48Å; K248-K251 PolarHBondContact O-N 3.13Å; K249-K251 VanDerWaalsContact C-N 3.28Å; K249-K251 PolarHBondContact O-N 2.91Å |
| 252 | Q | 83.4 | Confident | 77.1 | Confident | 154 Ų | 154 | 126.6 Ų | 126.6 | 72% | 0.72 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -81.6 | -28 | 176.3 | -72.7 | 172.2 | -4 | 0 | 0 | 111.9 | K248 K249 I250 P254 | K248-Q252 WeakPolarHBondContact O-CB 3.19Å; K248-Q252 VanDerWaalsContact O-CG 3.28Å; K248-Q252 WeakPolarHBondContact O-CG 3.45Å; K248-Q252 PolarHBondContact O-N 3.2Å; K249-Q252 CarbonylContact O-C 3.28Å; K249-Q252 WeakPolarHBondContact O-CA 3.27Å; K249-Q252 WeakPolarHBondContact O-CB 3.41Å; K249-Q252 PolarHBondContact O-N 3.28Å; I250-Q252 VanDerWaalsContact C-N 3.32Å; Q252-P254 WeakPolarHBondContact O-CD 3.36Å |
| 253 | T | 78.3 | Confident | 74.8 | Confident | 92 Ų | 92 | 132.7 Ų | 132.7 | 56% | 0.564 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -72.3 | 118.5 | 171.5 | -24 | 0 | 0 | 0 | 0 | 109 | K249 I250 | K249-T253 PolarHBondContact O-N 3.39Å; K249-T253 PolarHBondContact O-OG1 3.17Å; I250-T253 PolarHBondContact O-N 2.7Å; I250-T253 VanDerWaalsContact O-O 3.05Å |
| 254 | P | 68.8 | Low | 72.5 | Confident | 104 Ų | 104 | 133.8 Ų | 133.8 | 68% | 0.675 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 148.4 | 173.4 | 24.5 | -31 | 0 | 0 | 0 | 109.8 | Q252 | Q252-P254 WeakPolarHBondContact O-CD 3.36Š|
| 255 | P | 67 | Low | 70.2 | Confident | 109 Ų | 109 | 133.6 Ų | 133.6 | 71% | 0.708 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 140.8 | 175.3 | 23.8 | -31.5 | 0 | 0 | 0 | 108.9 | T257 | P255-T257 PolarHBondContact O-N 2.97Š|
| 256 | P | 63.7 | Low | 67.9 | Low | 120 Ų | 120 | 134.3 Ų | 134.3 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -57 | 119.5 | 178.3 | 23.6 | -31.3 | 0 | 0 | 0 | 108 | L258 | P256-L258 PolarHBondContact O-N 3.28Š|
| 257 | T | 58.8 | Low | 65.5 | Low | 134 Ų | 134 | 134.9 Ų | 134.9 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | -56.8 | 109.1 | 173.6 | 28.5 | 0 | 0 | 0 | 0 | 108.4 | P255 A259 | P255-T257 PolarHBondContact O-N 2.97Å; T257-A259 PolarHBondContact O-N 3.24Å; T257-A259 VanDerWaalsContact O-N 3.11Å | ||
| 258 | L | 57.3 | Low | 63.5 | Low | 179 Ų | 179 | 129.4 Ų | 129.4 | 94% | 0.937 | 75% | 0.752 | S | S | * | * | trans | -70.1 | 95.1 | 163.7 | -69.3 | 171.4 | 0 | 0 | 0 | 107.3 | P256 | P256-L258 PolarHBondContact O-N 3.28Š| ||
| 259 | A | 49.9 | Very low | 61.2 | Low | 86 Ų | 86 | 128.8 Ų | 128.8 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | -166.1 | 130.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | T257 | T257-A259 PolarHBondContact O-N 3.24Å; T257-A259 VanDerWaalsContact O-N 3.11Å | ||
| 260 | E | 47.5 | Very low | 58.9 | Low | 168 Ų | 168 | 135 Ų | 135 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | cis | -154.5 | 144.1 | -22.2 | -90.2 | -166.3 | 150.2 | 0 | 0 | 102.4 | A262 | E260-A262 PolarHBondContact O-N 2.68Å; E260-A262 VanDerWaalsContact O-N 3.13Å | ||
| 261 | P | 48.3 | Very low | 57.3 | Low | 124 Ų | 124 | 135.6 Ų | 135.6 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | trans | -62.4 | 121.9 | 176 | 26.2 | -31.9 | 0 | 0 | 0 | 109.2 | R263 | P261-R263 PolarHBondContact O-N 3Š| ||
| 262 | A | 51.5 | Low | 55.6 | Low | 97 Ų | 97 | 132.6 Ų | 132.6 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -49.6 | 115.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | E260 T264 | E260-A262 PolarHBondContact O-N 2.68Å; E260-A262 VanDerWaalsContact O-N 3.13Å; A262-T264 PolarHBondContact O-N 3.11Å | ||
| 263 | R | 49.4 | Very low | 54.1 | Low | 234 Ų | 234 | 131.4 Ų | 131.4 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -58.1 | 110.5 | 169.8 | -71.2 | 178.8 | 179.1 | -178.1 | -0.1 | 107.6 | P261 A265 | P261-R263 PolarHBondContact O-N 3Å; R263-A265 PolarHBondContact O-N 3.13Å; R263-A265 VanDerWaalsContact O-N 3.14Å | ||
| 264 | T | 49.9 | Very low | 52.7 | Low | 137 Ų | 137 | 133.8 Ų | 133.8 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | trans | -59.5 | 112.7 | 170.2 | 33.2 | 0 | 0 | 0 | 0 | 108.7 | A262 A266 | A262-T264 PolarHBondContact O-N 3.11Å; T264-A266 PolarHBondContact O-N 3.12Å | ||
| 265 | A | 47.4 | Very low | 51.7 | Low | 91 Ų | 91 | 135.6 Ų | 135.6 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | trans | -67.6 | 99.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | R263 T267 | R263-A265 PolarHBondContact O-N 3.13Å; R263-A265 VanDerWaalsContact O-N 3.14Å; A265-T267 VanDerWaalsContact C-N 3.33Å; A265-T267 PolarHBondContact O-N 3.27Å | ||
| 266 | A | 48.5 | Very low | 50.6 | Low | 102 Ų | 102 | 137.4 Ų | 137.4 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | trans | -77.3 | 87.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | T264 G268 | T264-A266 PolarHBondContact O-N 3.12Å; A266-G268 PolarHBondContact O-N 3.32Å | ||
| 267 | T | 46.5 | Very low | 49.7 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 78% | 0.779 | 84% | 0.835 | S | S | * | * | trans | -75.2 | 104.1 | 162.8 | 10 | 0 | 0 | 0 | 0 | 108 | A265 | A265-T267 VanDerWaalsContact C-N 3.33Å; A265-T267 PolarHBondContact O-N 3.27Å | ||
| 268 | G | 51.2 | Low | 49 | Very low | 70 Ų | 70 | 139 Ų | 139 | 72% | 0.722 | 84% | 0.836 | S | S | * | * | trans | -76.3 | 130 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | A266 | A266-G268 PolarHBondContact O-N 3.32Š| ||
| 269 | T | 45.7 | Very low | 48.3 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | trans | -153.8 | 117 | 160 | 22.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 270 | Q | 44 | Very low | 48.2 | Very low | 269 Ų | 269 | 140.2 Ų | 140.2 | 100% | 1.257 | 84% | 0.838 | S | S | * | * | trans | 72.8 | 0 | 159.9 | -56.6 | -172.2 | 4 | 0 | 0 | 118.6 |
Retrieved 270 of 270 residues in 277.1 ms
(Link to these results)