| 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 | 33.8 | Very low | 32.7 | Very low | 221 Ų | 221 | 157.8 Ų | 157.8 | 100% | 1.089 | 83% | 0.83 | S | S | * | * | 0 | 107.9 | 0 | -76.8 | 167.2 | 94.1 | 0 | 0 | 107.4 | |||||
| 2 | Q | 32.9 | Very low | 32.8 | Very low | 164 Ų | 164 | 162.6 Ų | 162.6 | 77% | 0.766 | 84% | 0.839 | S | S | * | * | 80.1 | 108.9 | 121.7 | -84.7 | 158.4 | -31.2 | 0 | 0 | 112.7 | |||||
| 3 | Q | 32.3 | Very low | 32.7 | Very low | 186 Ų | 186 | 156.5 Ų | 156.5 | 87% | 0.869 | 83% | 0.828 | S | S | * | * | 43 | 131.2 | 70.5 | -70.4 | -170.3 | 4.3 | 0 | 0 | 111.3 | |||||
| 4 | S | 34.3 | Very low | 32.5 | Very low | 89 Ų | 89 | 162.9 Ų | 162.9 | 62% | 0.622 | 84% | 0.837 | S | S | * | * | cis | -172.1 | 167.7 | 23.9 | 44.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 5 | E | 32.5 | Very low | 32.1 | Very low | 169 Ų | 169 | 156.3 Ų | 156.3 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | trans | 65.6 | 123.3 | 146.4 | -73.5 | 161.6 | 147.2 | 0 | 0 | 121.9 | ||||
| 6 | T | 33.2 | Very low | 31.7 | Very low | 143 Ų | 143 | 160.9 Ų | 160.9 | 88% | 0.877 | 83% | 0.829 | S | S | * | * | -168.3 | 118.4 | 101 | 26.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 7 | S | 33.1 | Very low | 31.8 | Very low | 118 Ų | 118 | 160.8 Ų | 160.8 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | -70.8 | 134.8 | 151.6 | 165.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 8 | S | 31.3 | Very low | 31.7 | Very low | 100 Ų | 100 | 164.7 Ų | 164.7 | 70% | 0.699 | 83% | 0.83 | S | S | * | * | trans | 169 | 143.4 | 137.7 | -163.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 9 | Q | 32.4 | Very low | 31.9 | Very low | 173 Ų | 173 | 162.8 Ų | 162.8 | 81% | 0.808 | 83% | 0.828 | S | S | * | * | trans | 86.3 | 90.2 | 161.7 | -50.7 | -177.1 | -13.5 | 0 | 0 | 118.3 | ||||
| 10 | R | 32 | Very low | 31.9 | Very low | 255 Ų | 255 | 166.3 Ų | 166.3 | 96% | 0.962 | 83% | 0.83 | S | S | * | * | -171.4 | 61.5 | 112.8 | -98.8 | 172.9 | -177.9 | -165.4 | 1.8 | 111.3 | |||||
| 11 | S | 32.2 | Very low | 32.1 | Very low | 118 Ų | 118 | 164.3 Ų | 164.3 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | -91.2 | 113.4 | 153.4 | -70 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 12 | K | 33.2 | Very low | 32.1 | Very low | 215 Ų | 215 | 165.3 Ų | 165.3 | 94% | 0.935 | 82% | 0.821 | S | S | * | * | trans | 176.6 | 97.2 | 158.2 | -98.9 | 164.3 | -165.2 | -171.6 | 0 | 109 | ||||
| 13 | A | 32.3 | Very low | 32.3 | Very low | 84 Ų | 84 | 162.6 Ų | 162.6 | 69% | 0.694 | 82% | 0.817 | S | S | * | * | trans | 179.1 | 54.8 | 146.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 14 | Y | 30 | Very low | 32.7 | Very low | 245 Ų | 245 | 159.9 Ų | 159.9 | 96% | 0.961 | 82% | 0.816 | S | S | * | * | trans | -141 | 130.5 | 164.5 | -64.8 | -71.1 | 0 | 0 | 0 | 110.1 | ||||
| 15 | G | 26.4 | Very low | 32.7 | Very low | 64 Ų | 64 | 160.5 Ų | 160.5 | 66% | 0.66 | 83% | 0.827 | S | S | * | * | trans | 118 | 110.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 16 | W | 25.3 | Very low | 32.9 | Very low | 231 Ų | 231 | 157 Ų | 157 | 88% | 0.875 | 83% | 0.827 | S | S | * | * | -157.7 | 122.1 | 54.5 | -72.6 | 76.6 | 0 | 0 | 0 | 111.1 | |||||
| 17 | I | 32.9 | Very low | 33 | Very low | 159 Ų | 159 | 157.2 Ų | 157.2 | 82% | 0.815 | 83% | 0.828 | S | S | * | * | trans | -146.5 | 104 | 143.2 | -55.5 | -176.1 | 0 | 0 | 0 | 107.8 | V19 | I17-V19 HydrophobicContact CG2-CG2 4.06Š| ||
| 18 | R | 31.1 | Very low | 32.9 | Very low | 230 Ų | 230 | 157.6 Ų | 157.6 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 116.7 | 165.4 | -90.3 | -177.5 | 176.7 | -175.9 | -0.9 | 108 | ||
| 19 | V | 34.6 | Very low | 33 | Very low | 129 Ų | 129 | 158.1 Ų | 158.1 | 78% | 0.782 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 122.8 | 166.6 | -174.8 | 0 | 0 | 0 | 0 | 108.4 | I17 | I17-V19 HydrophobicContact CG2-CG2 4.06Š|
| 20 | R | 32.8 | Very low | 33.3 | Very low | 232 Ų | 232 | 156.3 Ų | 156.3 | 88% | 0.875 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 142.9 | 175.3 | -66.5 | -176.1 | 176.8 | -166.8 | -0.6 | 110.1 | ||
| 21 | P | 35.1 | Very low | 33.3 | Very low | 126 Ų | 126 | 150.1 Ų | 150.1 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 147.1 | 166.8 | 34.1 | -28.3 | 0 | 0 | 0 | 111.5 | ||
| 22 | R | 33.5 | Very low | 33.4 | Very low | 241 Ų | 241 | 154.9 Ų | 154.9 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | trans | -157.6 | 160.8 | 167.2 | -127.9 | -169.8 | -168.7 | -157.8 | 2.6 | 110.1 | ||||
| 23 | P | 38.8 | Very low | 33.4 | Very low | 107 Ų | 107 | 149.9 Ų | 149.9 | 70% | 0.695 | 82% | 0.818 | S | S | * | * | -115.8 | 177.5 | -86.5 | 38 | -24.5 | 0 | 0 | 0 | 112 | |||||
| 24 | P | 40.2 | Very low | 33.4 | Very low | 130 Ų | 130 | 152.2 Ų | 152.2 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | trans | -85.6 | 143.8 | 175.2 | 33.5 | -31.6 | 0 | 0 | 0 | 112.4 | ||||
| 25 | A | 34.9 | Very low | 33.5 | Very low | 102 Ų | 102 | 148.3 Ų | 148.3 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -142.1 | 145.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 26 | A | 35.1 | Very low | 33.8 | Very low | 96 Ų | 96 | 152.4 Ų | 152.4 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | cis | -156.4 | 150.9 | -10.1 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 27 | T | 36.9 | Very low | 34 | Very low | 146 Ų | 146 | 150.7 Ų | 150.7 | 90% | 0.896 | 82% | 0.816 | S | S | * | * | trans | -70.1 | 137.2 | 168.5 | 40 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 28 | C | 29.8 | Very low | 34 | Very low | 126 Ų | 126 | 150.9 Ų | 150.9 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | trans | -125.3 | 114.4 | 166.1 | -157.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 29 | S | 32.8 | Very low | 34 | Very low | 111 Ų | 111 | 150 Ų | 150 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -75.6 | 135.6 | 172.8 | 35.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 30 | T | 38.5 | Very low | 33.8 | Very low | 136 Ų | 136 | 150.4 Ų | 150.4 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -112.4 | 141.9 | 163.4 | 23.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 31 | P | 33.8 | Very low | 33.8 | Very low | 125 Ų | 125 | 147.2 Ų | 147.2 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -87.1 | 151.2 | -171.3 | 33.2 | -30.9 | 0 | 0 | 0 | 113.1 | ||||
| 32 | R | 33.2 | Very low | 33.5 | Very low | 218 Ų | 218 | 150.2 Ų | 150.2 | 82% | 0.823 | 81% | 0.81 | S | S | * | * | trans | -65.2 | 119.5 | 172.8 | -166.9 | -179.6 | -167.1 | -173.5 | 4 | 110.7 | ||||
| 33 | S | 33.4 | Very low | 33.6 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -105.4 | 108.2 | 162.8 | 57.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 34 | H | 32.2 | Very low | 33.3 | Very low | 133 Ų | 133 | 144.9 Ų | 144.9 | 62% | 0.616 | 80% | 0.802 | S | S | * | * | trans | -69.2 | 128 | 161.4 | -94.2 | -99.3 | 0 | 0 | 0 | 109.3 | ||||
| 35 | L | 32.8 | Very low | 33.3 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -135.8 | 103 | 155.2 | -105.9 | 137.8 | 0 | 0 | 0 | 107.7 | ||||
| 36 | N | 31.7 | Very low | 33.3 | Very low | 150 Ų | 150 | 146.3 Ų | 146.3 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -71.4 | 123.6 | 161.9 | -87.7 | -18.2 | 0 | 0 | 0 | 107.6 | ||||
| 37 | F | 30.7 | Very low | 33.2 | Very low | 195 Ų | 195 | 152.2 Ų | 152.2 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -131.1 | 136 | 155 | -156.9 | -100.5 | 0 | 0 | 0 | 110.1 | ||||
| 38 | Q | 31.3 | Very low | 32.8 | Very low | 163 Ų | 163 | 153.9 Ų | 153.9 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -75.4 | 134.5 | -162.3 | -71.1 | 161.1 | -31.3 | 0 | 0 | 112.5 | ||||
| 39 | R | 31.1 | Very low | 33.2 | Very low | 210 Ų | 210 | 153.2 Ų | 153.2 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -1.5 | 117.3 | 143.5 | -166 | -177.6 | -132.9 | 178.8 | 4.7 | 117 | ||||
| 40 | T | 31.1 | Very low | 33.2 | Very low | 138 Ų | 138 | 153.7 Ų | 153.7 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | trans | -128.5 | 115.3 | 144.1 | -37.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 41 | K | 33 | Very low | 33.2 | Very low | 166 Ų | 166 | 150.2 Ų | 150.2 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | -70.7 | 135.1 | 169.8 | -75.3 | 176.8 | 171 | -178.8 | 0 | 108.7 | ||||
| 42 | M | 29.8 | Very low | 33 | Very low | 188 Ų | 188 | 153.3 Ų | 153.3 | 93% | 0.926 | 78% | 0.78 | S | S | * | * | trans | -149.8 | 144.8 | 147.9 | -88.5 | -92.8 | -99.5 | 0 | 0 | 107.7 | ||||
| 43 | S | 35.2 | Very low | 33.4 | Very low | 104 Ų | 104 | 152.7 Ų | 152.7 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -94.6 | 143.1 | -153 | -33 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 44 | L | 32.8 | Very low | 33.4 | Very low | 132 Ų | 132 | 151.6 Ų | 151.6 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | 51.2 | 143.7 | 138.1 | -78.8 | 162.9 | 0 | 0 | 0 | 120.7 | D46 | L44-D46 HydrophobicContact CD2-CB 4.37Å; L44-D46 VanDerWaalsContact CD2-CG 3.46Å; L44-D46 WeakPolarHBondContact CD2-OD1 3.46Å; L44-D46 WeakPolarHBondContact CD2-OD2 3.39Å | ||
| 45 | P | 39.9 | Very low | 33.8 | Very low | 127 Ų | 127 | 151.2 Ų | 151.2 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | -128.1 | 156.4 | 56.2 | 32.2 | -14.5 | 0 | 0 | 0 | 116.9 | Y47 | P45-Y47 PolarHBondContact O-N 3.37Š| |||
| 46 | D | 34.8 | Very low | 34.2 | Very low | 135 Ų | 135 | 147.1 Ų | 147.1 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -54.6 | 115.9 | 178.8 | -66 | -66.1 | 0 | 0 | 0 | 113 | L44 | L44-D46 HydrophobicContact CD2-CB 4.37Å; L44-D46 VanDerWaalsContact CD2-CG 3.46Å; L44-D46 WeakPolarHBondContact CD2-OD1 3.46Å; L44-D46 WeakPolarHBondContact CD2-OD2 3.39Å | ||
| 47 | Y | 33.3 | Very low | 35 | Very low | 221 Ų | 221 | 144.7 Ų | 144.7 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | trans | -96.6 | 103.4 | 154.5 | -167.6 | -100.1 | 0 | 0 | 0 | 107.8 | P45 S49 | P45-Y47 PolarHBondContact O-N 3.37Å; Y47-S49 PolarHBondContact O-N 2.87Å | ||
| 48 | K | 28.2 | Very low | 36.2 | Very low | 180 Ų | 180 | 139.5 Ų | 139.5 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | -53.5 | 98.7 | 172.5 | -80.6 | 177.8 | 175 | 175.3 | 0 | 109.8 | T50 | K48-T50 VanDerWaalsContact C-N 3.32Å; K48-T50 PolarHBondContact O-N 3.21Å | ||
| 49 | S | 38.5 | Very low | 37.6 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | trans | -82.6 | 86 | 159.2 | -168.9 | 0 | 0 | 0 | 0 | 107.6 | Y47 G51 | Y47-S49 PolarHBondContact O-N 2.87Å; S49-G51 PolarHBondContact O-N 3.47Å | ||
| 50 | T | 32 | Very low | 38.9 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | trans | -79 | 111.7 | 159.2 | 46.2 | 0 | 0 | 0 | 0 | 107.3 | K48 | K48-T50 VanDerWaalsContact C-N 3.32Å; K48-T50 PolarHBondContact O-N 3.21Å | ||
| 51 | G | 37.8 | Very low | 40.6 | Very low | 63 Ų | 63 | 129.2 Ų | 129.2 | 65% | 0.649 | 73% | 0.726 | S | S | * | * | trans | -54.9 | 145.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S49 | S49-G51 PolarHBondContact O-N 3.47Š| ||
| 52 | K | 29.9 | Very low | 43 | Very low | 191 Ų | 191 | 123.1 Ų | 123.1 | 83% | 0.83 | 71% | 0.705 | S | S | * | * | trans | -165.6 | 117.5 | 136.5 | -107.6 | 166.2 | -176.3 | 178.9 | 0 | 106.8 | S54 | K52-S54 PolarHBondContact O-N 2.79Š| ||
| 53 | Q | 41.2 | Very low | 45.8 | Very low | 204 Ų | 204 | 119 Ų | 119 | 95% | 0.953 | 69% | 0.69 | S | S | * | * | trans | -55.3 | 88.2 | 151.7 | -74 | 173.8 | -21.6 | 0 | 0 | 106.7 | ||||
| 54 | S | 33.2 | Very low | 48.4 | Very low | 86 Ų | 86 | 114.9 Ų | 114.9 | 60% | 0.601 | 66% | 0.661 | S | S | * | * | trans | -88.1 | 108 | 162.9 | 55.1 | 0 | 0 | 0 | 0 | 105.6 | K52 S56 | K52-S54 PolarHBondContact O-N 2.79Å; S54-S56 PolarHBondContact O-N 2.97Å | ||
| 55 | S | 42.3 | Very low | 51.2 | Low | 125 Ų | 125 | 113.7 Ų | 113.7 | 87% | 0.874 | 65% | 0.651 | S | S | * | * | trans | -56.9 | 72.9 | 150.4 | 53.7 | 0 | 0 | 0 | 0 | 108.1 | A57 | S55-A57 PolarHBondContact O-N 3.06Š| ||
| 56 | S | 39.7 | Very low | 53.7 | Low | 78 Ų | 78 | 107.7 Ų | 107.7 | 55% | 0.545 | 61% | 0.612 | S | S | . | * | trans | -72.4 | 112.8 | 173.5 | 56.2 | 0 | 0 | 0 | 0 | 105.6 | S54 L58 | S54-S56 PolarHBondContact O-N 2.97Å; S56-L58 VanDerWaalsContact C-N 3.32Å; S56-L58 PolarHBondContact O-N 2.88Å | ||
| 57 | A | 48.9 | Very low | 56.5 | Low | 99 Ų | 99 | 102 Ų | 102 | 82% | 0.818 | 58% | 0.582 | S | S | * | * | trans | -48.3 | 102.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | S55 S59 | S55-A57 PolarHBondContact O-N 3.06Å; A57-S59 PolarHBondContact O-N 3.15Å; A57-S59 VanDerWaalsContact O-N 3.11Å | ||
| 58 | L | 56.4 | Low | 59.4 | Low | 86 Ų | 86 | 91.5 Ų | 91.5 | 45% | 0.45 | 54% | 0.541 | S | S | . | . | trans | -58.6 | 121.5 | -177.6 | -69.8 | 158.6 | 0 | 0 | 0 | 107.2 | S56 L77 | S56-L58 VanDerWaalsContact C-N 3.32Å; S56-L58 PolarHBondContact O-N 2.88Å; L58-L77 HydrophobicContact CB-CD1 3.2Å; L58-L77 HydrophobicContact CD1-CD1 3.9Å; L58-L77 HydrophobicContact CG-CD1 4.07Å | ||
| 59 | S | 60.7 | Low | 62.4 | Low | 69 Ų | 69 | 84.8 Ų | 84.8 | 48% | 0.483 | 52% | 0.523 | S | S | . | . | trans | -57.4 | 145.3 | -177.6 | 63.6 | 0 | 0 | 0 | 0 | 110.1 | A57 S61 S62 | A57-S59 PolarHBondContact O-N 3.15Å; A57-S59 VanDerWaalsContact O-N 3.11Å; S59-S61 PolarHBondContact O-N 2.73Å; S59-S62 WeakPolarHBondContact O-CB 3.44Å; S59-S62 PolarHBondContact O-N 3.22Å | ||
| 60 | H | 59 | Low | 65 | Low | 136 Ų | 136 | 82 Ų | 82 | 63% | 0.63 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -19.5 | -178.9 | -81.4 | -96.5 | 0 | 0 | 0 | 113.8 | S78 | H60-S78 WeakPolarHBondContact O-CB 3.43Å; H60-S78 PolarHBondContact O-N 2.96Å; H60-S78 VanDerWaalsContact O-N 3.12Å; H60-S78 PolarHBondContact O-OG 2.85Å |
| 61 | S | 66.6 | Low | 68 | Low | 90 Ų | 90 | 80 Ų | 80 | 63% | 0.629 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 4.3 | -179.1 | 52 | 0 | 0 | 0 | 0 | 114.9 | S59 V63 | S59-S61 PolarHBondContact O-N 2.73Å; S61-V63 PolarHBondContact O-N 2.74Å |
| 62 | S | 82.4 | Confident | 70.7 | Confident | 38 Ų | 38 | 81.8 Ų | 81.8 | 27% | 0.266 | 49% | 0.488 | S | S | . | . | trans | -66.9 | 126.7 | 178.5 | -173.3 | 0 | 0 | 0 | 0 | 110.9 | S59 T76 L77 | S59-S62 WeakPolarHBondContact O-CB 3.44Å; S59-S62 PolarHBondContact O-N 3.22Å; S62-T76 WeakPolarHBondContact O-CA 3.4Å; S62-L77 PolarHBondContact O-N 2.9Å; S62-L77 VanDerWaalsContact O-N 3.09Å | ||
| 63 | V | 88.6 | Confident | 73.8 | Confident | 102 Ų | 102 | 74.5 Ų | 74.5 | 62% | 0.618 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 130.8 | 172.1 | 178.3 | 0 | 0 | 0 | 0 | 108.6 | S61 T75 T76 | S61-V63 PolarHBondContact O-N 2.74Å; V63-T75 CarbonylContact C-O 3.45Å; V63-T75 WeakPolarHBondContact CA-O 3.42Å; V63-T76 HydrophobicContact CG2-CG2 4.43Å |
| 64 | V | 89.6 | Confident | 76.3 | Confident | 18 Ų | 18 | 67.9 Ų | 67.9 | 11% | 0.109 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 143.4 | 178.2 | -66.4 | 0 | 0 | 0 | 0 | 110.4 | L66 T75 L77 L80 F92 | V64-L66 HydrophobicContact CG2-CD1 4.33Å; V64-T75 HydrophobicContact CG2-CG2 4.02Å; V64-T75 WeakPolarHBondContact CG2-O 3.36Å; V64-T75 PolarHBondContact N-O 2.89Å; V64-T75 PolarHBondContact O-N 2.85Å; V64-L77 HydrophobicContact CG1-CD1 4.43Å; V64-L77 HydrophobicContact CG1-CD2 3.66Å; V64-L77 HydrophobicContact CG1-CG 3.76Å; V64-L77 HydrophobicContact CG2-CD2 4.3Å; V64-L80 HydrophobicContact CG2-CD1 3.57Å; V64-F92 HydrophobicContact CB-CE1 4.27Å; V64-F92 HydrophobicContact CG1-CE1 4.26Å; V64-F92 HydrophobicContact CG2-CE1 4.08Å; V64-F92 HydrophobicContact CG2-CZ 4.44Å |
| 65 | Q | 92.2 | Very high | 79.2 | Confident | 107 Ų | 107 | 64.2 Ų | 64.2 | 50% | 0.5 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 132.9 | 175.6 | -64.9 | -171.8 | -9.8 | 0 | 0 | 109.7 | F73 R105 L106 | Q65-F73 WeakPolarHBondContact CA-O 3.37Å; Q65-R105 HydrophobicContact CB-CB 4.22Å; Q65-R105 HydrophobicContact CB-CG 3.84Å; Q65-L106 PolarHBondContact O-N 3.45Å; Q65-L106 VanDerWaalsContact O-N 3.1Å |
| 66 | L | 92.6 | Very high | 81.5 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 147.2 | 178.7 | -51.3 | 95.6 | 0 | 0 | 0 | 110.1 | V64 V68 L72 F73 T75 L80 F92 L106 I108 F115 | V64-L66 HydrophobicContact CG2-CD1 4.33Å; L66-V68 HydrophobicContact CB-CG2 4.46Å; L66-L72 WeakPolarHBondContact O-CA 3.11Å; L66-F73 HydrophobicContact CB-CB 4.38Å; L66-F73 HydrophobicContact CD1-CB 4.33Å; L66-F73 PolarHBondContact N-O 3.11Å; L66-F73 PolarHBondContact O-N 3.11Å; L66-T75 HydrophobicContact CD1-CG2 3.69Å; L66-L80 HydrophobicContact CD1-CD1 4.15Å; L66-L80 HydrophobicContact CD2-CD1 4.07Å; L66-L80 HydrophobicContact CD2-CD2 4.47Å; L66-F92 HydrophobicContact CD2-CE2 4.33Å; L66-F92 HydrophobicContact CD2-CZ 3.9Å; L66-F92 HydrophobicContact CG-CZ 4.48Å; L66-L106 CarbonylContact C-O 3.57Å; L66-L106 WeakPolarHBondContact CA-O 3.42Å; L66-I108 HydrophobicContact CD2-CD1 4.12Å; L66-F115 HydrophobicContact CD2-CZ 4.49Å |
| 67 | N | 93.8 | Very high | 83.8 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 8% | 0.08 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 105 | 171.2 | -179.9 | -10.9 | 0 | 0 | 0 | 107.5 | G70 H71 L72 D101 L106 F107 I108 | N67-G70 WeakPolarHBondContact OD1-CA 3.48Å; N67-G70 PolarHBondContact OD1-N 2.85Å; N67-H71 CarbonylContact C-O 3.49Å; N67-H71 WeakPolarHBondContact CA-O 3.4Å; N67-L72 HydrophobicContact CB-CD2 3.97Å; N67-D101 PolarHBondContact ND2-OD2 3.21Å; N67-L106 PolarHBondContact N-O 2.73Å; N67-F107 HydrophobicContact CB-CD2 4.16Å; N67-F107 CarbonylContact O-C 3.37Å; N67-F107 WeakPolarHBondContact O-CA 3.39Å; N67-F107 WeakPolarHBondContact O-CD2 3.49Å; N67-I108 PolarHBondContact O-N 3.41Å |
| 68 | V | 94.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 95.5 | -178.8 | -171.8 | 0 | 0 | 0 | 0 | 108 | L66 G70 H71 F73 I108 R110 F115 | L66-V68 HydrophobicContact CB-CG2 4.46Å; V68-G70 PolarHBondContact O-N 3.1Å; V68-G70 VanDerWaalsContact O-N 3.11Å; V68-H71 PolarHBondContact N-O 2.79Å; V68-H71 WeakPolarHBondContact O-CB 3.39Å; V68-H71 PolarHBondContact O-N 3.11Å; V68-H71 PolarHBondContact O-ND1 2.76Å; V68-F73 HydrophobicContact CB-CD2 4.29Å; V68-F73 HydrophobicContact CB-CE2 4.05Å; V68-F73 HydrophobicContact CG2-CD2 3.84Å; V68-F73 HydrophobicContact CG2-CE2 4.04Å; V68-I108 WeakPolarHBondContact CA-O 3.43Å; V68-I108 HydrophobicContact CB-CB 4.48Å; V68-I108 HydrophobicContact CG1-CB 4.25Å; V68-I108 HydrophobicContact CG1-CG2 4.33Å; V68-I108 HydrophobicContact CG2-CB 4.22Å; V68-I108 HydrophobicContact CG2-CD1 4.11Å; V68-I108 HydrophobicContact CG2-CG1 4.44Å; V68-R110 CarbonylContact C-O 3.59Å; V68-R110 VanDerWaalsContact C-O 3.26Å; V68-R110 HydrophobicContact CG1-CB 4.15Å; V68-R110 WeakPolarHBondContact CG1-O 3.23Å; V68-F115 HydrophobicContact CG1-CB 4.34Å; V68-F115 HydrophobicContact CG1-CG 4.37Å; V68-F115 HydrophobicContact CG2-CD1 3.85Å; V68-F115 HydrophobicContact CG2-CD2 4.42Å; V68-F115 HydrophobicContact CG2-CE1 4.02Å; V68-F115 HydrophobicContact CG2-CG 4.05Å; V68-F115 HydrophobicContact CG2-CZ 4.39Å |
| 69 | G | 91.4 | Very high | 87.5 | Confident | 40 Ų | 40 | 51 Ų | 51 | 41% | 0.412 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 31.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I108 R110 | G69-I108 PolarHBondContact N-O 3.34Å; G69-R110 WeakPolarHBondContact CA-O 3.18Å; G69-R110 PolarHBondContact N-O 3.37Å |
| 70 | G | 91.8 | Very high | 88.8 | Confident | 53 Ų | 53 | 47.7 Ų | 47.7 | 55% | 0.546 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.4 | -14.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | N67 V68 | N67-G70 WeakPolarHBondContact OD1-CA 3.48Å; N67-G70 PolarHBondContact OD1-N 2.85Å; V68-G70 PolarHBondContact O-N 3.1Å; V68-G70 VanDerWaalsContact O-N 3.11Å |
| 71 | H | 95.3 | Very high | 90.3 | Very high | 78 Ų | 78 | 44.8 Ų | 44.8 | 36% | 0.361 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 125.9 | 177.8 | -64.6 | 80.2 | 0 | 0 | 0 | 111.1 | N67 V68 F73 D111 G112 | N67-H71 CarbonylContact C-O 3.49Å; N67-H71 WeakPolarHBondContact CA-O 3.4Å; V68-H71 PolarHBondContact N-O 2.79Å; V68-H71 WeakPolarHBondContact O-CB 3.39Å; V68-H71 PolarHBondContact O-N 3.11Å; V68-H71 PolarHBondContact O-ND1 2.76Å; H71-F73 HydrophobicContact CB-CD2 4.31Å; H71-F73 HydrophobicContact CB-CE2 3.47Å; H71-F73 VanDerWaalsContact CB-CE2 3.47Å; H71-F73 HydrophobicContact CB-CZ 4Å; H71-F73 WeakPolarHBondContact O-CD2 3.12Å; H71-D111 IonicContact CE1-OD1 3.55Å; H71-G112 WeakPolarHBondContact ND1-CA 3.34Å |
| 72 | L | 95.1 | Very high | 91.4 | Very high | 101 Ų | 101 | 47.4 Ų | 47.4 | 53% | 0.529 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 124.1 | -175.1 | -56.1 | 178.8 | 0 | 0 | 0 | 111.1 | L66 N67 | L66-L72 WeakPolarHBondContact O-CA 3.11Å; N67-L72 HydrophobicContact CB-CD2 3.97Å |
| 73 | F | 95 | Very high | 91.7 | Very high | 38 Ų | 38 | 46.6 Ų | 46.6 | 17% | 0.167 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 147.9 | 176.7 | -61.6 | -86.1 | 0 | 0 | 0 | 110.6 | Q65 L66 V68 H71 F115 L119 | Q65-F73 WeakPolarHBondContact CA-O 3.37Å; L66-F73 HydrophobicContact CB-CB 4.38Å; L66-F73 HydrophobicContact CD1-CB 4.33Å; L66-F73 PolarHBondContact N-O 3.11Å; L66-F73 PolarHBondContact O-N 3.11Å; V68-F73 HydrophobicContact CB-CD2 4.29Å; V68-F73 HydrophobicContact CB-CE2 4.05Å; V68-F73 HydrophobicContact CG2-CD2 3.84Å; V68-F73 HydrophobicContact CG2-CE2 4.04Å; H71-F73 HydrophobicContact CB-CD2 4.31Å; H71-F73 HydrophobicContact CB-CE2 3.47Å; H71-F73 VanDerWaalsContact CB-CE2 3.47Å; H71-F73 HydrophobicContact CB-CZ 4Å; H71-F73 WeakPolarHBondContact O-CD2 3.12Å; F73-F115 HydrophobicContact CB-CE1 4.43Å; F73-F115 HydrophobicContact CD1-CD1 4.06Å; F73-F115 AromaticContact CD2-CD1 3.56Å; F73-F115 HydrophobicContact CD2-CD1 3.56Å; F73-F115 HydrophobicContact CD2-CE1 4.1Å; F73-F115 HydrophobicContact CE1-CD1 4.09Å; F73-F115 HydrophobicContact CE2-CB 4Å; F73-F115 AromaticContact CE2-CD1 3.57Å; F73-F115 HydrophobicContact CE2-CD1 3.57Å; F73-F115 HydrophobicContact CE2-CG 4.19Å; F73-F115 AromaticContact CG-CD1 3.81Å; F73-F115 HydrophobicContact CG-CD1 3.81Å; F73-F115 HydrophobicContact CG-CE1 4.12Å; F73-F115 HydrophobicContact CZ-CB 3.93Å; F73-F115 AromaticContact CZ-CD1 3.86Å; F73-F115 HydrophobicContact CZ-CD1 3.86Å; F73-F115 HydrophobicContact CZ-CG 4.39Å; F73-L119 HydrophobicContact CB-CD2 4.33Å; F73-L119 HydrophobicContact CD1-CD2 4.13Å |
| 74 | S | 93.9 | Very high | 91.6 | Very high | 66 Ų | 66 | 46.8 Ų | 46.8 | 46% | 0.462 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131 | 172 | -66.8 | 0 | 0 | 0 | 0 | 109.2 | R123 | S74-R123 PolarHBondContact O-NH2 2.82Å; S74-R123 VanDerWaalsContact O-NH2 3.08Å |
| 75 | T | 93.6 | Very high | 91.5 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 6% | 0.055 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | -178.3 | -178.5 | -164.2 | 0 | 0 | 0 | 0 | 110.6 | V63 V64 L66 L80 L119 | V63-T75 CarbonylContact C-O 3.45Å; V63-T75 WeakPolarHBondContact CA-O 3.42Å; V64-T75 HydrophobicContact CG2-CG2 4.02Å; V64-T75 WeakPolarHBondContact CG2-O 3.36Å; V64-T75 PolarHBondContact N-O 2.89Å; V64-T75 PolarHBondContact O-N 2.85Å; L66-T75 HydrophobicContact CD1-CG2 3.69Å; T75-L80 HydrophobicContact CG2-CD1 3.6Å; T75-L80 HydrophobicContact CG2-CD2 3.79Å; T75-L80 HydrophobicContact CG2-CG 3.59Å; T75-L119 HydrophobicContact CG2-CD1 4.05Å |
| 76 | T | 91.3 | Very high | 91.4 | Very high | 37 Ų | 37 | 43.8 Ų | 43.8 | 23% | 0.227 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 156.2 | 175.7 | 59.4 | 0 | 0 | 0 | 0 | 111.8 | S62 V63 S78 T79 L80 | S62-T76 WeakPolarHBondContact O-CA 3.4Å; V63-T76 HydrophobicContact CG2-CG2 4.43Å; T76-S78 WeakPolarHBondContact CB-OG 3.49Å; T76-S78 PolarHBondContact O-N 3.42Å; T76-S78 PolarHBondContact OG1-OG 2.83Å; T76-T79 PolarHBondContact O-N 2.86Å; T76-T79 VanDerWaalsContact O-N 3.17Å; T76-T79 PolarHBondContact OG1-N 2.92Å; T76-T79 PolarHBondContact OG1-OG1 2.92Å; T76-L80 PolarHBondContact O-N 2.81Å |
| 77 | L | 88.2 | Confident | 91.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.3 | -33.3 | 171.6 | -72.3 | 177.2 | 0 | 0 | 0 | 113.1 | L58 S62 V64 T79 L80 R81 F92 | L58-L77 HydrophobicContact CB-CD1 3.2Å; L58-L77 HydrophobicContact CD1-CD1 3.9Å; L58-L77 HydrophobicContact CG-CD1 4.07Å; S62-L77 PolarHBondContact O-N 2.9Å; S62-L77 VanDerWaalsContact O-N 3.09Å; V64-L77 HydrophobicContact CG1-CD1 4.43Å; V64-L77 HydrophobicContact CG1-CD2 3.66Å; V64-L77 HydrophobicContact CG1-CG 3.76Å; V64-L77 HydrophobicContact CG2-CD2 4.3Å; L77-T79 VanDerWaalsContact C-N 3.3Å; L77-T79 PolarHBondContact O-N 2.74Å; L77-L80 PolarHBondContact O-N 3.09Å; L77-R81 WeakPolarHBondContact O-CB 3.38Å; L77-R81 WeakPolarHBondContact O-CG 3.5Å; L77-R81 PolarHBondContact O-N 3.02Å; L77-F92 HydrophobicContact CD2-CB 4.02Å; L77-F92 HydrophobicContact CD2-CD1 3.18Å; L77-F92 HydrophobicContact CD2-CE1 3.76Å; L77-F92 HydrophobicContact CD2-CG 3.76Å |
| 78 | S | 89.6 | Confident | 90.8 | Very high | 53 Ų | 53 | 46.9 Ų | 46.9 | 37% | 0.371 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.8 | -40 | 175 | 52.4 | 0 | 0 | 0 | 0 | 112.8 | H60 T76 R82 | H60-S78 WeakPolarHBondContact O-CB 3.43Å; H60-S78 PolarHBondContact O-N 2.96Å; H60-S78 VanDerWaalsContact O-N 3.12Å; H60-S78 PolarHBondContact O-OG 2.85Å; T76-S78 WeakPolarHBondContact CB-OG 3.49Å; T76-S78 PolarHBondContact O-N 3.42Å; T76-S78 PolarHBondContact OG1-OG 2.83Å; S78-R82 PolarHBondContact O-N 2.84Å |
| 79 | T | 91.7 | Very high | 90.5 | Very high | 20 Ų | 20 | 47.2 Ų | 47.2 | 12% | 0.123 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.5 | -47.2 | 176.9 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | T76 L77 R81 R82 L119 L122 R123 | T76-T79 PolarHBondContact O-N 2.86Å; T76-T79 VanDerWaalsContact O-N 3.17Å; T76-T79 PolarHBondContact OG1-N 2.92Å; T76-T79 PolarHBondContact OG1-OG1 2.92Å; L77-T79 VanDerWaalsContact C-N 3.3Å; L77-T79 PolarHBondContact O-N 2.74Å; T79-R81 VanDerWaalsContact C-N 3.29Å; T79-R81 PolarHBondContact O-N 3.05Å; T79-R82 WeakPolarHBondContact O-CB 3.41Å; T79-R82 PolarHBondContact O-N 3.3Å; T79-L119 HydrophobicContact CG2-CD1 3.88Å; T79-L122 HydrophobicContact CG2-CB 3.66Å; T79-R123 HydrophobicContact CG2-CG 3.64Å |
| 80 | L | 89.6 | Confident | 90.1 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.7 | -27.8 | -177.3 | -62.1 | 174.1 | 0 | 0 | 0 | 113 | V64 L66 T75 T76 L77 V88 F92 L119 L122 | V64-L80 HydrophobicContact CG2-CD1 3.57Å; L66-L80 HydrophobicContact CD1-CD1 4.15Å; L66-L80 HydrophobicContact CD2-CD1 4.07Å; L66-L80 HydrophobicContact CD2-CD2 4.47Å; T75-L80 HydrophobicContact CG2-CD1 3.6Å; T75-L80 HydrophobicContact CG2-CD2 3.79Å; T75-L80 HydrophobicContact CG2-CG 3.59Å; T76-L80 PolarHBondContact O-N 2.81Å; L77-L80 PolarHBondContact O-N 3.09Å; L80-V88 HydrophobicContact CB-CG1 4.06Å; L80-V88 HydrophobicContact CD2-CG1 3.61Å; L80-V88 HydrophobicContact CG-CG1 4.38Å; L80-F92 HydrophobicContact CB-CD2 4.14Å; L80-F92 HydrophobicContact CB-CE2 4.15Å; L80-F92 HydrophobicContact CD1-CD2 4.01Å; L80-F92 HydrophobicContact CD1-CE1 3.83Å; L80-F92 HydrophobicContact CD1-CE2 3.33Å; L80-F92 HydrophobicContact CD1-CZ 3.21Å; L80-F92 HydrophobicContact CG-CE2 4.26Å; L80-L119 HydrophobicContact CD2-CD1 4.09Å; L80-L122 HydrophobicContact CD2-CD1 4.41Å |
| 81 | R | 89.4 | Confident | 89.5 | Confident | 74 Ų | 74 | 50.5 Ų | 50.5 | 28% | 0.279 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 9.9 | 175.4 | -64.9 | 179.8 | 177.6 | 160.5 | -0.7 | 113.6 | L77 T79 H83 F92 | L77-R81 WeakPolarHBondContact O-CB 3.38Å; L77-R81 WeakPolarHBondContact O-CG 3.5Å; L77-R81 PolarHBondContact O-N 3.02Å; T79-R81 VanDerWaalsContact C-N 3.29Å; T79-R81 PolarHBondContact O-N 3.05Å; R81-H83 PolarHBondContact O-N 3.12Å; R81-F92 PolarHBondContact NE-O 2.99Å; R81-F92 PolarHBondContact NH2-O 2.92Å |
| 82 | R | 89.8 | Confident | 88.6 | Confident | 145 Ų | 145 | 47.4 Ų | 47.4 | 55% | 0.547 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -55.2 | -38.7 | 179.5 | -175.9 | 66.1 | 171.6 | -166.6 | -1.6 | 112 | S78 T79 L122 E125 | S78-R82 PolarHBondContact O-N 2.84Å; T79-R82 WeakPolarHBondContact O-CB 3.41Å; T79-R82 PolarHBondContact O-N 3.3Å; R82-L122 HydrophobicContact CB-CD2 4.43Å; R82-E125 IonicContact NE-OE1 3.91Å |
| 83 | H | 89.3 | Confident | 87.3 | Confident | 22 Ų | 22 | 44.3 Ų | 44.3 | 10% | 0.102 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -115.1 | 99.6 | 172.2 | -59.7 | -60.2 | 0 | 0 | 0 | 109.5 | R81 D85 S86 A89 F121 E125 | R81-H83 PolarHBondContact O-N 3.12Å; H83-D85 PolarHBondContact O-N 3.08Å; H83-S86 VanDerWaalsContact O-CB 3.31Å; H83-S86 WeakPolarHBondContact O-CB 3.01Å; H83-S86 PolarHBondContact O-N 3.07Å; H83-S86 PolarHBondContact O-OG 2.68Å; H83-A89 VanDerWaalsContact O-CB 3.23Å; H83-A89 WeakPolarHBondContact O-CB 3.38Å; H83-F121 AromaticContact NE2-CE1 3.61Å; H83-E125 IonicContact CE1-OE1 2.78Å; H83-E125 IonicContact NE2-OE1 3.8Å |
| 84 | P | 86.6 | Confident | 85.5 | Confident | 106 Ų | 106 | 48.3 Ų | 48.3 | 69% | 0.688 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -18.4 | -172.7 | 27.4 | -35.2 | 0 | 0 | 0 | 113.8 | S86 | P84-S86 VanDerWaalsContact C-N 3.33Š|
| 85 | D | 87.3 | Confident | 83.9 | Confident | 61 Ų | 61 | 52.9 Ų | 52.9 | 33% | 0.326 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -1 | 175.2 | 66.7 | -38.3 | 0 | 0 | 0 | 113.5 | H83 N143 K145 | H83-D85 PolarHBondContact O-N 3.08Å; D85-N143 PolarHBondContact O-ND2 2.71Å; D85-K145 WeakPolarHBondContact OD2-CD 3.45Å; D85-K145 WeakPolarHBondContact OD2-CE 3.32Å; D85-K145 IonicContact OD2-NZ 3.96Å; D85-K145 PolarHBondContact OD2-NZ 2.83Å |
| 86 | S | 90.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -79.3 | 148.4 | 174.7 | 72.7 | 0 | 0 | 0 | 0 | 111.5 | H83 P84 V88 A89 E90 N143 | H83-S86 VanDerWaalsContact O-CB 3.31Å; H83-S86 WeakPolarHBondContact O-CB 3.01Å; H83-S86 PolarHBondContact O-N 3.07Å; H83-S86 PolarHBondContact O-OG 2.68Å; P84-S86 VanDerWaalsContact C-N 3.33Å; S86-V88 PolarHBondContact O-N 3Å; S86-A89 WeakPolarHBondContact O-CB 3.47Å; S86-A89 PolarHBondContact O-N 2.94Å; S86-A89 PolarHBondContact OG-N 2.91Å; S86-E90 PolarHBondContact O-N 3.08Å; S86-N143 WeakPolarHBondContact CA-O 3.17Å |
| 87 | K | 87.3 | Confident | 80.9 | Confident | 82 Ų | 82 | 64.2 Ų | 64.2 | 36% | 0.357 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.2 | -34.7 | 173.8 | -171.5 | -178.4 | 179.6 | -173.7 | 0 | 111 | A89 E90 L91 H141 Y142 N143 | K87-A89 VanDerWaalsContact C-N 3.32Å; K87-A89 PolarHBondContact O-N 3.41Å; K87-E90 WeakPolarHBondContact O-CB 3.22Å; K87-E90 PolarHBondContact O-N 3.06Å; K87-L91 WeakPolarHBondContact O-CG 3.48Å; K87-L91 PolarHBondContact O-N 3.01Å; K87-H141 VanDerWaalsContact CD-O 3.3Å; K87-H141 WeakPolarHBondContact CD-O 3.38Å; K87-H141 PolarHBondContact NZ-CE1 2.89Å; K87-H141 PolarHBondContact NZ-NE2 3.1Å; K87-Y142 WeakPolarHBondContact CB-O 3.36Å; K87-Y142 PolarHBondContact N-O 3.03Å; K87-N143 HydrophobicContact CB-CB 4.46Å |
| 88 | V | 86.9 | Confident | 80 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 176.8 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | L80 S86 L91 F92 Y142 | L80-V88 HydrophobicContact CB-CG1 4.06Å; L80-V88 HydrophobicContact CD2-CG1 3.61Å; L80-V88 HydrophobicContact CG-CG1 4.38Å; S86-V88 PolarHBondContact O-N 3Å; V88-L91 WeakPolarHBondContact O-CB 3.46Å; V88-L91 PolarHBondContact O-N 3.35Å; V88-F92 WeakPolarHBondContact O-CD2 3.38Å; V88-Y142 HydrophobicContact CG2-CD1 3.29Å; V88-Y142 HydrophobicContact CG2-CE1 4.13Å; V88-Y142 HydrophobicContact CG2-CG 3.57Å |
| 89 | A | 86.6 | Confident | 79.5 | Confident | 7 Ų | 7 | 67 Ų | 67 | 6% | 0.058 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.6 | -36.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | H83 S86 K87 L91 F92 G93 | H83-A89 VanDerWaalsContact O-CB 3.23Å; H83-A89 WeakPolarHBondContact O-CB 3.38Å; S86-A89 WeakPolarHBondContact O-CB 3.47Å; S86-A89 PolarHBondContact O-N 2.94Å; S86-A89 PolarHBondContact OG-N 2.91Å; K87-A89 VanDerWaalsContact C-N 3.32Å; K87-A89 PolarHBondContact O-N 3.41Å; A89-L91 VanDerWaalsContact C-N 3.28Å; A89-L91 PolarHBondContact O-N 3.28Å; A89-F92 CarbonylContact O-C 3.54Å; A89-F92 PolarHBondContact O-N 3.1Å; A89-G93 PolarHBondContact O-N 3.42Å |
| 90 | E | 84.8 | Confident | 79.2 | Confident | 129 Ų | 129 | 70.3 Ų | 70.3 | 60% | 0.603 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.4 | -34.3 | 176.7 | -66.3 | -176.8 | 173.6 | 0 | 0 | 112.8 | S86 K87 F92 G93 | S86-E90 PolarHBondContact O-N 3.08Å; K87-E90 WeakPolarHBondContact O-CB 3.22Å; K87-E90 PolarHBondContact O-N 3.06Å; E90-F92 PolarHBondContact O-N 3.17Å; E90-F92 VanDerWaalsContact O-N 3.08Å; E90-G93 PolarHBondContact O-N 3.17Å |
| 91 | L | 79.1 | Confident | 79.1 | Confident | 33 Ų | 33 | 71.5 Ų | 71.5 | 17% | 0.173 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -26.2 | 175.3 | -62.4 | 179.3 | 0 | 0 | 0 | 112.3 | K87 V88 A89 P96 V98 I108 | K87-L91 WeakPolarHBondContact O-CG 3.48Å; K87-L91 PolarHBondContact O-N 3.01Å; V88-L91 WeakPolarHBondContact O-CB 3.46Å; V88-L91 PolarHBondContact O-N 3.35Å; A89-L91 VanDerWaalsContact C-N 3.28Å; A89-L91 PolarHBondContact O-N 3.28Å; L91-P96 WeakPolarHBondContact O-CB 3.38Å; L91-V98 HydrophobicContact CB-CG2 3.7Å; L91-V98 HydrophobicContact CD2-CG2 3.36Å; L91-V98 HydrophobicContact CG-CG2 3.98Å; L91-I108 HydrophobicContact CD1-CD1 3.68Å; L91-I108 HydrophobicContact CD1-CG1 4.1Å |
| 92 | F | 75.4 | Confident | 78.9 | Confident | 13 Ų | 13 | 72.7 Ų | 72.7 | 6% | 0.057 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 14.9 | -179.6 | -60.1 | -92 | 0 | 0 | 0 | 112.7 | V64 L66 L77 L80 R81 V88 A89 E90 L106 | V64-F92 HydrophobicContact CB-CE1 4.27Å; V64-F92 HydrophobicContact CG1-CE1 4.26Å; V64-F92 HydrophobicContact CG2-CE1 4.08Å; V64-F92 HydrophobicContact CG2-CZ 4.44Å; L66-F92 HydrophobicContact CD2-CE2 4.33Å; L66-F92 HydrophobicContact CD2-CZ 3.9Å; L66-F92 HydrophobicContact CG-CZ 4.48Å; L77-F92 HydrophobicContact CD2-CB 4.02Å; L77-F92 HydrophobicContact CD2-CD1 3.18Å; L77-F92 HydrophobicContact CD2-CE1 3.76Å; L77-F92 HydrophobicContact CD2-CG 3.76Å; L80-F92 HydrophobicContact CB-CD2 4.14Å; L80-F92 HydrophobicContact CB-CE2 4.15Å; L80-F92 HydrophobicContact CD1-CD2 4.01Å; L80-F92 HydrophobicContact CD1-CE1 3.83Å; L80-F92 HydrophobicContact CD1-CE2 3.33Å; L80-F92 HydrophobicContact CD1-CZ 3.21Å; L80-F92 HydrophobicContact CG-CE2 4.26Å; R81-F92 PolarHBondContact NE-O 2.99Å; R81-F92 PolarHBondContact NH2-O 2.92Å; V88-F92 WeakPolarHBondContact O-CD2 3.38Å; A89-F92 CarbonylContact O-C 3.54Å; A89-F92 PolarHBondContact O-N 3.1Å; E90-F92 PolarHBondContact O-N 3.17Å; E90-F92 VanDerWaalsContact O-N 3.08Å; F92-L106 HydrophobicContact CD1-CD1 3.93Å; F92-L106 HydrophobicContact CE1-CD1 3.05Å; F92-L106 HydrophobicContact CZ-CD1 3.43Å; F92-L106 VanDerWaalsContact CZ-CD1 3.43Å |
| 93 | G | 68.2 | Low | 78.7 | Confident | 35 Ų | 35 | 72 Ų | 72 | 36% | 0.361 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -71.3 | -170.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A89 E90 Q95 | A89-G93 PolarHBondContact O-N 3.42Å; E90-G93 PolarHBondContact O-N 3.17Å; G93-Q95 PolarHBondContact O-N 3.45Å |
| 94 | S | 57.6 | Low | 78.4 | Confident | 123 Ų | 123 | 73.3 Ų | 73.3 | 86% | 0.86 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -62.5 | -12.1 | -175.4 | -51.7 | 0 | 0 | 0 | 0 | 115.1 | ||
| 95 | Q | 58.9 | Low | 78.5 | Confident | 162 Ų | 162 | 70.4 Ų | 70.4 | 76% | 0.757 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -141.2 | 91.4 | 174.5 | -68.6 | -65.6 | -65.3 | 0 | 0 | 108.7 | G93 K97 | G93-Q95 PolarHBondContact O-N 3.45Å; Q95-K97 PolarHBondContact O-N 3.34Å |
| 96 | P | 59.6 | Low | 78.6 | Confident | 85 Ų | 85 | 69.1 Ų | 69.1 | 55% | 0.552 | 40% | 0.399 | S | S | * | . | trans | -64.8 | 112 | 178.8 | 24.1 | -30.9 | 0 | 0 | 0 | 109.4 | L91 V98 | L91-P96 WeakPolarHBondContact O-CB 3.38Å; P96-V98 PolarHBondContact O-N 2.77Å; P96-V98 VanDerWaalsContact O-N 3.11Å | ||
| 97 | K | 62 | Low | 78.6 | Confident | 199 Ų | 199 | 72.2 Ų | 72.2 | 87% | 0.865 | 41% | 0.412 | S | S | * | . | trans | -77.4 | 19.9 | 175.3 | -69.5 | -178.9 | 179.7 | 171.4 | 0 | 112.8 | Q95 | Q95-K97 PolarHBondContact O-N 3.34Š| ||
| 98 | V | 70.1 | Confident | 78.7 | Confident | 28 Ų | 28 | 69 Ų | 69 | 17% | 0.17 | 40% | 0.398 | C | S | . | . | trans | -112.3 | 130.4 | -163.2 | -165 | 0 | 0 | 0 | 0 | 110.4 | L91 P96 L106 F107 | L91-V98 HydrophobicContact CB-CG2 3.7Å; L91-V98 HydrophobicContact CD2-CG2 3.36Å; L91-V98 HydrophobicContact CG-CG2 3.98Å; P96-V98 PolarHBondContact O-N 2.77Å; P96-V98 VanDerWaalsContact O-N 3.11Å; V98-L106 HydrophobicContact CB-CD2 4.24Å; V98-L106 HydrophobicContact CG1-CB 4.46Å; V98-L106 HydrophobicContact CG1-CD2 4.33Å; V98-F107 WeakPolarHBondContact CG1-O 3.45Å | ||
| 99 | S | 79.1 | Confident | 78.9 | Confident | 83 Ų | 83 | 75.5 Ų | 75.5 | 58% | 0.58 | 43% | 0.434 | S | S | * | . | trans | -67.6 | 149.1 | 172.9 | -41.6 | 0 | 0 | 0 | 0 | 110.3 | F107 | S99-F107 WeakPolarHBondContact O-CB 3.41Å; S99-F107 PolarHBondContact O-N 3.18Å | ||
| 100 | T | 86.4 | Confident | 79.2 | Confident | 89 Ų | 89 | 79 Ų | 79 | 55% | 0.546 | 45% | 0.445 | S | S | . | . | B | Isolated β-bridge | trans | -101.2 | 149.4 | 167 | 52.9 | 0 | 0 | 0 | 0 | 110.3 | R105 L106 | T100-R105 CarbonylContact C-O 3.54Å; T100-R105 WeakPolarHBondContact CA-O 3.32Å; T100-L106 HydrophobicContact CG2-CD2 4.18Å |
| 101 | D | 86.9 | Confident | 79.5 | Confident | 25 Ų | 25 | 76.8 Ų | 76.8 | 13% | 0.134 | 44% | 0.437 | C | S | . | . | trans | -77.1 | -179.8 | 171 | 71.8 | 10.1 | 0 | 0 | 0 | 112 | N67 Q103 G104 R105 | N67-D101 PolarHBondContact ND2-OD2 3.21Å; D101-Q103 PolarHBondContact O-N 2.94Å; D101-Q103 WeakPolarHBondContact OD1-CA 3.41Å; D101-Q103 PolarHBondContact OD1-N 3.2Å; D101-G104 PolarHBondContact O-N 3.3Å; D101-G104 PolarHBondContact OD1-N 3.42Å; D101-G104 VanDerWaalsContact OD1-N 3.15Å; D101-R105 PolarHBondContact N-O 3.36Å; D101-R105 WeakPolarHBondContact OD1-CB 3.49Å; D101-R105 PolarHBondContact OD1-N 3.17Å; D101-R105 IonicContact OD1-NE 2.73Å; D101-R105 IonicContact OD2-CZ 3.14Å; D101-R105 IonicContact OD2-NE 3.78Å; D101-R105 PolarHBondContact OD2-NE 3.32Å; D101-R105 IonicContact OD2-NH2 2.74Å; D101-R105 PolarHBondContact OD2-NH2 3.23Å | ||
| 102 | A | 85.8 | Confident | 80.2 | Confident | 99 Ų | 99 | 75.2 Ų | 75.2 | 82% | 0.818 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -16.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 103 | Q | 85.1 | Confident | 81.1 | Confident | 130 Ų | 130 | 78 Ų | 78 | 61% | 0.607 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 5.4 | 178.2 | -67.5 | 73 | 36.4 | 0 | 0 | 112.2 | D101 R105 | D101-Q103 PolarHBondContact O-N 2.94Å; D101-Q103 WeakPolarHBondContact OD1-CA 3.41Å; D101-Q103 PolarHBondContact OD1-N 3.2Å; Q103-R105 VanDerWaalsContact C-N 3.32Å; Q103-R105 HydrophobicContact CB-CG 4.36Å |
| 104 | G | 83.3 | Confident | 82.5 | Confident | 51 Ų | 51 | 78.2 Ų | 78.2 | 53% | 0.526 | 44% | 0.442 | S | S | . | . | S | Bend | trans | 77.7 | 13.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D101 | D101-G104 PolarHBondContact O-N 3.3Å; D101-G104 PolarHBondContact OD1-N 3.42Å; D101-G104 VanDerWaalsContact OD1-N 3.15Å |
| 105 | R | 88.5 | Confident | 84.3 | Confident | 45 Ų | 45 | 72.3 Ų | 72.3 | 17% | 0.17 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 149 | 176.3 | -54.3 | 172.8 | -66.2 | -156.4 | 0.1 | 109.6 | Q65 T100 D101 Q103 F107 | Q65-R105 HydrophobicContact CB-CB 4.22Å; Q65-R105 HydrophobicContact CB-CG 3.84Å; T100-R105 CarbonylContact C-O 3.54Å; T100-R105 WeakPolarHBondContact CA-O 3.32Å; D101-R105 PolarHBondContact N-O 3.36Å; D101-R105 WeakPolarHBondContact OD1-CB 3.49Å; D101-R105 PolarHBondContact OD1-N 3.17Å; D101-R105 IonicContact OD1-NE 2.73Å; D101-R105 IonicContact OD2-CZ 3.14Å; D101-R105 IonicContact OD2-NE 3.78Å; D101-R105 PolarHBondContact OD2-NE 3.32Å; D101-R105 IonicContact OD2-NH2 2.74Å; D101-R105 PolarHBondContact OD2-NH2 3.23Å; Q103-R105 VanDerWaalsContact C-N 3.32Å; Q103-R105 HydrophobicContact CB-CG 4.36Å; R105-F107 PolarHBondContact O-N 3.07Å |
| 106 | L | 88.2 | Confident | 86 | Confident | 34 Ų | 34 | 66.1 Ų | 66.1 | 18% | 0.178 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 126.1 | -179.5 | -69.6 | 166.8 | 0 | 0 | 0 | 110.4 | Q65 L66 N67 F92 V98 T100 | Q65-L106 PolarHBondContact O-N 3.45Å; Q65-L106 VanDerWaalsContact O-N 3.1Å; L66-L106 CarbonylContact C-O 3.57Å; L66-L106 WeakPolarHBondContact CA-O 3.42Å; N67-L106 PolarHBondContact N-O 2.73Å; F92-L106 HydrophobicContact CD1-CD1 3.93Å; F92-L106 HydrophobicContact CE1-CD1 3.05Å; F92-L106 HydrophobicContact CZ-CD1 3.43Å; F92-L106 VanDerWaalsContact CZ-CD1 3.43Å; V98-L106 HydrophobicContact CB-CD2 4.24Å; V98-L106 HydrophobicContact CG1-CB 4.46Å; V98-L106 HydrophobicContact CG1-CD2 4.33Å; T100-L106 HydrophobicContact CG2-CD2 4.18Å |
| 107 | F | 90.3 | Very high | 87.7 | Confident | 64 Ų | 64 | 63.5 Ų | 63.5 | 28% | 0.281 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 125.7 | -175.5 | -178.9 | -106.5 | 0 | 0 | 0 | 111.7 | N67 V98 S99 R105 D109 | N67-F107 HydrophobicContact CB-CD2 4.16Å; N67-F107 CarbonylContact O-C 3.37Å; N67-F107 WeakPolarHBondContact O-CA 3.39Å; N67-F107 WeakPolarHBondContact O-CD2 3.49Å; V98-F107 WeakPolarHBondContact CG1-O 3.45Å; S99-F107 WeakPolarHBondContact O-CB 3.41Å; S99-F107 PolarHBondContact O-N 3.18Å; R105-F107 PolarHBondContact O-N 3.07Å; F107-D109 HydrophobicContact CE1-CB 3.86Å; F107-D109 HydrophobicContact CZ-CB 4.38Å |
| 108 | I | 90.8 | Very high | 89.4 | Confident | 14 Ų | 14 | 54 Ų | 54 | 7% | 0.072 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.4 | 172 | -56 | -177.9 | 0 | 0 | 0 | 107.4 | L66 N67 V68 G69 L91 R110 Y142 | L66-I108 HydrophobicContact CD2-CD1 4.12Å; N67-I108 PolarHBondContact O-N 3.41Å; V68-I108 WeakPolarHBondContact CA-O 3.43Å; V68-I108 HydrophobicContact CB-CB 4.48Å; V68-I108 HydrophobicContact CG1-CB 4.25Å; V68-I108 HydrophobicContact CG1-CG2 4.33Å; V68-I108 HydrophobicContact CG2-CB 4.22Å; V68-I108 HydrophobicContact CG2-CD1 4.11Å; V68-I108 HydrophobicContact CG2-CG1 4.44Å; G69-I108 PolarHBondContact N-O 3.34Å; L91-I108 HydrophobicContact CD1-CD1 3.68Å; L91-I108 HydrophobicContact CD1-CG1 4.1Å; I108-R110 HydrophobicContact CG2-CB 3.95Å; I108-R110 HydrophobicContact CG2-CG 3.87Å; I108-R110 PolarHBondContact O-N 3.37Å; I108-Y142 HydrophobicContact CG2-CE1 4.41Å |
| 109 | D | 90.9 | Very high | 90.6 | Very high | 138 Ų | 138 | 52.8 Ų | 52.8 | 74% | 0.738 | 32% | 0.317 | S | S | * | . | trans | -79 | 67 | 176.9 | -169.6 | 24.7 | 0 | 0 | 0 | 111.2 | F107 | F107-D109 HydrophobicContact CE1-CB 3.86Å; F107-D109 HydrophobicContact CZ-CB 4.38Å | ||
| 110 | R | 91.8 | Very high | 91.4 | Very high | 81 Ų | 81 | 52.3 Ų | 52.3 | 31% | 0.306 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -145.7 | 158.1 | 178.4 | -70.2 | -64.1 | -75.3 | 178.3 | -3.6 | 110.3 | V68 G69 I108 G112 E138 H141 | V68-R110 CarbonylContact C-O 3.59Å; V68-R110 VanDerWaalsContact C-O 3.26Å; V68-R110 HydrophobicContact CG1-CB 4.15Å; V68-R110 WeakPolarHBondContact CG1-O 3.23Å; G69-R110 WeakPolarHBondContact CA-O 3.18Å; G69-R110 PolarHBondContact N-O 3.37Å; I108-R110 HydrophobicContact CG2-CB 3.95Å; I108-R110 HydrophobicContact CG2-CG 3.87Å; I108-R110 PolarHBondContact O-N 3.37Å; R110-G112 PolarHBondContact O-N 3.31Å; R110-E138 IonicContact CZ-OE1 3.92Å; R110-E138 IonicContact NE-OE1 3.81Å; R110-E138 IonicContact NE-OE2 2.79Å; R110-E138 IonicContact NH2-OE1 3.81Å; R110-E138 PolarHBondContact NH2-OE1 3.21Å; R110-E138 IonicContact NH2-OE2 3.69Å; R110-H141 WeakPolarHBondContact CD-CE1 3.48Å; R110-H141 WeakPolarHBondContact CD-NE2 3.27Å; R110-H141 VanDerWaalsContact CZ-ND1 3.34Å; R110-H141 PolarHBondContact NE-CE1 3.42Å; R110-H141 PolarHBondContact NE-ND1 3.21Å |
| 111 | D | 91.8 | Very high | 91.8 | Very high | 81 Ų | 81 | 48 Ų | 48 | 43% | 0.433 | 28% | 0.28 | S | S | . | . | trans | -66.7 | 128.6 | 171.8 | 179.6 | 30.7 | 0 | 0 | 0 | 110.6 | H71 S113 | H71-D111 IonicContact CE1-OD1 3.55Å; D111-S113 VanDerWaalsContact CG-OG 3.3Å; D111-S113 PolarHBondContact OD1-N 2.91Å; D111-S113 PolarHBondContact OD1-OG 3.47Å; D111-S113 VanDerWaalsContact OD2-CB 3.27Å; D111-S113 WeakPolarHBondContact OD2-CB 3.41Å; D111-S113 PolarHBondContact OD2-OG 3.26Å | ||
| 112 | G | 93.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | trans | -87.7 | -7.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | H71 R110 H114 F115 | H71-G112 WeakPolarHBondContact ND1-CA 3.34Å; R110-G112 PolarHBondContact O-N 3.31Å; G112-H114 VanDerWaalsContact C-N 3.26Å; G112-H114 PolarHBondContact O-N 2.72Å; G112-H114 VanDerWaalsContact O-N 3.17Å; G112-F115 WeakPolarHBondContact O-CB 3.43Å; G112-F115 PolarHBondContact O-N 3.28Å; G112-F115 VanDerWaalsContact O-N 3.1Å | ||
| 113 | S | 95.5 | Very high | 92.6 | Very high | 70 Ų | 70 | 48.1 Ų | 48.1 | 49% | 0.49 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -41.7 | -173.3 | -55.2 | 0 | 0 | 0 | 0 | 113.2 | D111 | D111-S113 VanDerWaalsContact CG-OG 3.3Å; D111-S113 PolarHBondContact OD1-N 2.91Å; D111-S113 PolarHBondContact OD1-OG 3.47Å; D111-S113 VanDerWaalsContact OD2-CB 3.27Å; D111-S113 WeakPolarHBondContact OD2-CB 3.41Å; D111-S113 PolarHBondContact OD2-OG 3.26Å |
| 114 | H | 96 | Very high | 93 | Very high | 40 Ų | 40 | 44.1 Ų | 44.1 | 19% | 0.185 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -3.1 | -177.1 | -56.4 | 97.8 | 0 | 0 | 0 | 113.5 | G112 G116 A117 V118 E134 V135 E138 | G112-H114 VanDerWaalsContact C-N 3.26Å; G112-H114 PolarHBondContact O-N 2.72Å; G112-H114 VanDerWaalsContact O-N 3.17Å; H114-G116 PolarHBondContact O-N 3.25Å; H114-A117 PolarHBondContact O-N 3.33Å; H114-V118 PolarHBondContact O-N 3.46Å; H114-E134 VanDerWaalsContact CE1-CB 3.48Å; H114-E134 WeakPolarHBondContact CE1-CB 3.16Å; H114-E134 WeakPolarHBondContact NE2-CB 3.03Å; H114-V135 HydrophobicContact CB-CG2 4.18Å; H114-E138 HydrophobicContact CB-CG 4.09Å |
| 115 | F | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65 | -27.5 | -179 | -172.9 | -102.6 | 0 | 0 | 0 | 112.4 | L66 V68 F73 G112 A117 V118 L119 Y142 | L66-F115 HydrophobicContact CD2-CZ 4.49Å; V68-F115 HydrophobicContact CG1-CB 4.34Å; V68-F115 HydrophobicContact CG1-CG 4.37Å; V68-F115 HydrophobicContact CG2-CD1 3.85Å; V68-F115 HydrophobicContact CG2-CD2 4.42Å; V68-F115 HydrophobicContact CG2-CE1 4.02Å; V68-F115 HydrophobicContact CG2-CG 4.05Å; V68-F115 HydrophobicContact CG2-CZ 4.39Å; F73-F115 HydrophobicContact CB-CE1 4.43Å; F73-F115 HydrophobicContact CD1-CD1 4.06Å; F73-F115 AromaticContact CD2-CD1 3.56Å; F73-F115 HydrophobicContact CD2-CD1 3.56Å; F73-F115 HydrophobicContact CD2-CE1 4.1Å; F73-F115 HydrophobicContact CE1-CD1 4.09Å; F73-F115 HydrophobicContact CE2-CB 4Å; F73-F115 AromaticContact CE2-CD1 3.57Å; F73-F115 HydrophobicContact CE2-CD1 3.57Å; F73-F115 HydrophobicContact CE2-CG 4.19Å; F73-F115 AromaticContact CG-CD1 3.81Å; F73-F115 HydrophobicContact CG-CD1 3.81Å; F73-F115 HydrophobicContact CG-CE1 4.12Å; F73-F115 HydrophobicContact CZ-CB 3.93Å; F73-F115 AromaticContact CZ-CD1 3.86Å; F73-F115 HydrophobicContact CZ-CD1 3.86Å; F73-F115 HydrophobicContact CZ-CG 4.39Å; G112-F115 WeakPolarHBondContact O-CB 3.43Å; G112-F115 PolarHBondContact O-N 3.28Å; G112-F115 VanDerWaalsContact O-N 3.1Å; F115-A117 VanDerWaalsContact C-N 3.33Å; F115-A117 PolarHBondContact O-N 3.09Å; F115-V118 PolarHBondContact O-N 3.33Å; F115-L119 HydrophobicContact CE1-CB 4.4Å; F115-L119 HydrophobicContact CE1-CD2 4.47Å; F115-L119 WeakPolarHBondContact O-CB 3.36Å; F115-L119 PolarHBondContact O-N 2.86Å; F115-Y142 HydrophobicContact CD2-CD2 4.42Å; F115-Y142 HydrophobicContact CD2-CE1 4.41Å; F115-Y142 AromaticContact CD2-CE2 3.6Å; F115-Y142 HydrophobicContact CD2-CE2 3.6Å; F115-Y142 AromaticContact CD2-CZ 3.61Å; F115-Y142 HydrophobicContact CE2-CE1 4.2Å; F115-Y142 HydrophobicContact CE2-CE2 4.01Å; F115-Y142 AromaticContact CE2-CZ 3.84Å |
| 116 | G | 95.4 | Very high | 93.7 | Very high | 32 Ų | 32 | 48.4 Ų | 48.4 | 33% | 0.33 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.1 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H114 L119 E120 | H114-G116 PolarHBondContact O-N 3.25Å; G116-L119 PolarHBondContact O-N 3.08Å; G116-E120 PolarHBondContact O-N 3.42Å |
| 117 | A | 95.8 | Very high | 94 | Very high | 30 Ų | 30 | 50 Ų | 50 | 25% | 0.248 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.3 | -41 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H114 F115 L119 E120 F121 P128 V135 | H114-A117 PolarHBondContact O-N 3.33Å; F115-A117 VanDerWaalsContact C-N 3.33Å; F115-A117 PolarHBondContact O-N 3.09Å; A117-L119 VanDerWaalsContact C-N 3.31Å; A117-L119 PolarHBondContact O-N 3.08Å; A117-E120 PolarHBondContact O-N 2.79Å; A117-F121 PolarHBondContact O-N 3.37Å; A117-P128 HydrophobicContact CB-CB 4.25Å; A117-V135 HydrophobicContact CB-CG1 4.09Å; A117-V135 HydrophobicContact CB-CG2 3.67Å |
| 118 | V | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.4 | -44.8 | 173.2 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | H114 F115 F121 L122 V135 E138 Y142 I144 L147 | H114-V118 PolarHBondContact O-N 3.46Å; F115-V118 PolarHBondContact O-N 3.33Å; V118-F121 WeakPolarHBondContact O-CB 3.17Å; V118-F121 PolarHBondContact O-N 2.93Å; V118-L122 WeakPolarHBondContact O-CG 3.3Å; V118-L122 PolarHBondContact O-N 3.18Å; V118-L122 VanDerWaalsContact O-N 3.08Å; V118-V135 HydrophobicContact CG2-CG1 4.29Å; V118-E138 HydrophobicContact CG2-CB 3.91Å; V118-Y142 HydrophobicContact CG1-CD2 4.09Å; V118-Y142 HydrophobicContact CG2-CD2 4.34Å; V118-I144 HydrophobicContact CG1-CD1 3.3Å; V118-L147 HydrophobicContact CG2-CD2 4.35Å |
| 119 | L | 95.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 179.8 | -172.9 | 61.2 | 0 | 0 | 0 | 112.2 | F73 T75 T79 L80 F115 G116 A117 F121 L122 R123 | F73-L119 HydrophobicContact CB-CD2 4.33Å; F73-L119 HydrophobicContact CD1-CD2 4.13Å; T75-L119 HydrophobicContact CG2-CD1 4.05Å; T79-L119 HydrophobicContact CG2-CD1 3.88Å; L80-L119 HydrophobicContact CD2-CD1 4.09Å; F115-L119 HydrophobicContact CE1-CB 4.4Å; F115-L119 HydrophobicContact CE1-CD2 4.47Å; F115-L119 WeakPolarHBondContact O-CB 3.36Å; F115-L119 PolarHBondContact O-N 2.86Å; G116-L119 PolarHBondContact O-N 3.08Å; A117-L119 VanDerWaalsContact C-N 3.31Å; A117-L119 PolarHBondContact O-N 3.08Å; L119-F121 VanDerWaalsContact C-N 3.34Å; L119-L122 PolarHBondContact O-N 3.37Å; L119-R123 WeakPolarHBondContact O-CG 3.31Å; L119-R123 PolarHBondContact O-N 3.23Å; L119-R123 VanDerWaalsContact O-N 3.09Å |
| 120 | E | 96.1 | Very high | 94.2 | Very high | 72 Ų | 72 | 52.9 Ų | 52.9 | 34% | 0.336 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 175 | -173.2 | 54.9 | -149.3 | 0 | 0 | 111.4 | G116 A117 L122 R123 S124 | G116-E120 PolarHBondContact O-N 3.42Å; A117-E120 PolarHBondContact O-N 2.79Å; E120-L122 VanDerWaalsContact C-N 3.33Å; E120-L122 PolarHBondContact O-N 3.06Å; E120-R123 PolarHBondContact O-N 3.25Å; E120-R123 VanDerWaalsContact O-N 3.08Å; E120-R123 IonicContact OE2-NH1 3.85Å; E120-S124 PolarHBondContact O-N 3.41Å; E120-S124 PolarHBondContact O-OG 3.41Å; E120-S124 PolarHBondContact OE1-OG 3.41Å |
| 121 | F | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.7 | -45.7 | 171.7 | 178.7 | -93.6 | 0 | 0 | 0 | 111.9 | H83 A117 V118 L119 R123 E125 K126 L127 I144 P146 L147 R150 | H83-F121 AromaticContact NE2-CE1 3.61Å; A117-F121 PolarHBondContact O-N 3.37Å; V118-F121 WeakPolarHBondContact O-CB 3.17Å; V118-F121 PolarHBondContact O-N 2.93Å; L119-F121 VanDerWaalsContact C-N 3.34Å; F121-R123 PolarHBondContact O-N 3.47Å; F121-E125 WeakPolarHBondContact CZ-OE2 3.46Å; F121-E125 WeakPolarHBondContact O-CA 3.45Å; F121-E125 PolarHBondContact O-N 3.26Å; F121-K126 WeakPolarHBondContact CA-O 3.49Å; F121-K126 WeakPolarHBondContact CD2-O 3.5Å; F121-L127 HydrophobicContact CD2-CD2 4.05Å; F121-L127 HydrophobicContact CE2-CD2 3.99Å; F121-I144 HydrophobicContact CD1-CG2 4.14Å; F121-I144 HydrophobicContact CE1-CG2 3.85Å; F121-P146 HydrophobicContact CE1-CB 4.42Å; F121-P146 HydrophobicContact CZ-CB 4.07Å; F121-L147 HydrophobicContact CB-CD1 4.22Å; F121-L147 HydrophobicContact CB-CD2 4.28Å; F121-L147 HydrophobicContact CD1-CB 3.81Å; F121-L147 HydrophobicContact CD1-CD1 4.29Å; F121-L147 HydrophobicContact CD1-CD2 4.19Å; F121-L147 HydrophobicContact CD1-CG 4.31Å; F121-L147 HydrophobicContact CD2-CB 4.37Å; F121-L147 HydrophobicContact CD2-CD1 3.58Å; F121-L147 HydrophobicContact CD2-CG 4.44Å; F121-L147 HydrophobicContact CE1-CB 3.65Å; F121-L147 HydrophobicContact CE2-CB 4.19Å; F121-L147 HydrophobicContact CE2-CD1 3.93Å; F121-L147 HydrophobicContact CG-CB 4.18Å; F121-L147 HydrophobicContact CG-CD1 3.75Å; F121-L147 HydrophobicContact CG-CD2 4.17Å; F121-L147 HydrophobicContact CG-CG 4.25Å; F121-L147 HydrophobicContact CZ-CB 3.84Å; F121-L147 HydrophobicContact CZ-CD1 4.46Å; F121-R150 VanDerWaalsContact CE2-NH1 3.32Å |
| 122 | L | 93.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.6 | -24.6 | 177.5 | -66.2 | 176.6 | 0 | 0 | 0 | 113.5 | T79 L80 R82 V118 L119 E120 I144 | T79-L122 HydrophobicContact CG2-CB 3.66Å; L80-L122 HydrophobicContact CD2-CD1 4.41Å; R82-L122 HydrophobicContact CB-CD2 4.43Å; V118-L122 WeakPolarHBondContact O-CG 3.3Å; V118-L122 PolarHBondContact O-N 3.18Å; V118-L122 VanDerWaalsContact O-N 3.08Å; L119-L122 PolarHBondContact O-N 3.37Å; E120-L122 VanDerWaalsContact C-N 3.33Å; E120-L122 PolarHBondContact O-N 3.06Å; L122-I144 HydrophobicContact CD1-CD1 4.48Å; L122-I144 HydrophobicContact CD2-CD1 4.2Å; L122-I144 HydrophobicContact CD2-CG2 4.46Å; L122-I144 HydrophobicContact CG-CD1 4.47Å |
| 123 | R | 94.6 | Very high | 94.3 | Very high | 122 Ų | 122 | 52 Ų | 52 | 46% | 0.46 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -84.4 | -48.8 | 179.2 | -73 | 171.7 | 177.7 | 159.9 | -2.4 | 112.6 | S74 T79 L119 E120 F121 | S74-R123 PolarHBondContact O-NH2 2.82Å; S74-R123 VanDerWaalsContact O-NH2 3.08Å; T79-R123 HydrophobicContact CG2-CG 3.64Å; L119-R123 WeakPolarHBondContact O-CG 3.31Å; L119-R123 PolarHBondContact O-N 3.23Å; L119-R123 VanDerWaalsContact O-N 3.09Å; E120-R123 PolarHBondContact O-N 3.25Å; E120-R123 VanDerWaalsContact O-N 3.08Å; E120-R123 IonicContact OE2-NH1 3.85Å; F121-R123 PolarHBondContact O-N 3.47Å |
| 124 | S | 93.6 | Very high | 94.2 | Very high | 47 Ų | 47 | 52.6 Ų | 52.6 | 33% | 0.329 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -128.1 | 1.6 | -164.4 | 66.7 | 0 | 0 | 0 | 0 | 114.1 | E120 K126 | E120-S124 PolarHBondContact O-N 3.41Å; E120-S124 PolarHBondContact O-OG 3.41Å; E120-S124 PolarHBondContact OE1-OG 3.41Å; S124-K126 PolarHBondContact O-N 3.24Å; S124-K126 VanDerWaalsContact O-N 3.15Å; S124-K126 WeakPolarHBondContact OG-CB 3.28Å; S124-K126 WeakPolarHBondContact OG-CD 3.41Å; S124-K126 VanDerWaalsContact OG-CG 3.29Å; S124-K126 WeakPolarHBondContact OG-CG 3.48Å |
| 125 | E | 93 | Very high | 94.2 | Very high | 51 Ų | 51 | 50.8 Ų | 50.8 | 24% | 0.238 | 27% | 0.269 | C | S | . | . | trans | 61.3 | 13.9 | -176.3 | -63.9 | -84.6 | 169.8 | 0 | 0 | 113.6 | R82 H83 F121 R150 | R82-E125 IonicContact NE-OE1 3.91Å; H83-E125 IonicContact CE1-OE1 2.78Å; H83-E125 IonicContact NE2-OE1 3.8Å; F121-E125 WeakPolarHBondContact CZ-OE2 3.46Å; F121-E125 WeakPolarHBondContact O-CA 3.45Å; F121-E125 PolarHBondContact O-N 3.26Å; E125-R150 PolarHBondContact O-NH1 2.84Å; E125-R150 IonicContact OE2-CZ 2.89Å; E125-R150 VanDerWaalsContact OE2-CZ 3.29Å; E125-R150 IonicContact OE2-NH1 3.75Å; E125-R150 PolarHBondContact OE2-NH1 3.33Å; E125-R150 IonicContact OE2-NH2 3.66Å; E125-R150 PolarHBondContact OE2-NH2 2.68Å | ||
| 126 | K | 94.2 | Very high | 94.2 | Very high | 135 Ų | 135 | 52.8 Ų | 52.8 | 59% | 0.587 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -76.8 | 139.5 | 178.1 | -70.8 | -179.7 | -176.4 | 175.9 | 0 | 111.5 | F121 S124 | F121-K126 WeakPolarHBondContact CA-O 3.49Å; F121-K126 WeakPolarHBondContact CD2-O 3.5Å; S124-K126 PolarHBondContact O-N 3.24Å; S124-K126 VanDerWaalsContact O-N 3.15Å; S124-K126 WeakPolarHBondContact OG-CB 3.28Å; S124-K126 WeakPolarHBondContact OG-CD 3.41Å; S124-K126 VanDerWaalsContact OG-CG 3.29Å; S124-K126 WeakPolarHBondContact OG-CG 3.48Å |
| 127 | L | 93.7 | Very high | 94.2 | Very high | 66 Ų | 66 | 55.1 Ų | 55.1 | 35% | 0.346 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -86.9 | 149.1 | 176.4 | -62 | 176.8 | 0 | 0 | 0 | 111.1 | F121 L147 R150 L151 M154 | F121-L127 HydrophobicContact CD2-CD2 4.05Å; F121-L127 HydrophobicContact CE2-CD2 3.99Å; L127-L147 HydrophobicContact CD2-CD1 3.87Å; L127-R150 HydrophobicContact CD1-CB 3.94Å; L127-R150 HydrophobicContact CD2-CB 3.63Å; L127-R150 HydrophobicContact CD2-CG 4.45Å; L127-R150 HydrophobicContact CG-CB 4.39Å; L127-L151 HydrophobicContact CD2-CD2 4.38Å; L127-M154 HydrophobicContact CD1-SD 4.43Å |
| 128 | P | 93.4 | Very high | 94.2 | Very high | 17 Ų | 17 | 54.3 Ų | 54.3 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 148 | 170.8 | 30.8 | -38.1 | 0 | 0 | 0 | 111 | A117 I132 V135 L151 | A117-P128 HydrophobicContact CB-CB 4.25Å; P128-I132 HydrophobicContact CG-CG1 4.44Å; P128-V135 HydrophobicContact CB-CG1 4.47Å; P128-V135 HydrophobicContact CB-CG2 4.16Å; P128-V135 HydrophobicContact CG-CB 4.08Å; P128-V135 HydrophobicContact CG-CG1 3.87Å; P128-V135 HydrophobicContact CG-CG2 4.26Å; P128-L151 HydrophobicContact CG-CD2 3.67Å |
| 129 | T | 91 | Very high | 94.2 | Very high | 121 Ų | 121 | 54.3 Ų | 54.3 | 74% | 0.742 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -102.7 | -9.4 | 171.9 | 52.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 130 | E | 91.9 | Very high | 94.1 | Very high | 139 Ų | 139 | 57.5 Ų | 57.5 | 65% | 0.65 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -139.2 | 155.7 | -175.2 | -62.9 | 179.9 | -178.8 | 0 | 0 | 109.4 | I132 | E130-I132 PolarHBondContact O-N 3.07Š|
| 131 | N | 93.3 | Very high | 94 | Very high | 85 Ų | 85 | 56.4 Ų | 56.4 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | trans | 52.6 | 39.1 | 179.2 | -49.1 | -57.4 | 0 | 0 | 0 | 112.5 | E134 V135 | N131-E134 WeakPolarHBondContact CA-OE2 3.47Å; N131-E134 HydrophobicContact CB-CB 4.27Å; N131-E134 WeakPolarHBondContact CB-OE2 3.29Å; N131-E134 PolarHBondContact O-N 3.24Å; N131-V135 VanDerWaalsContact O-CG2 3.28Å; N131-V135 WeakPolarHBondContact O-CG2 3.49Å; N131-V135 PolarHBondContact O-N 2.89Å | ||
| 132 | I | 93.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.3 | -43.9 | -175.2 | -70.4 | 152.4 | 0 | 0 | 0 | 111.9 | P128 E130 E134 V135 Y136 L151 M154 E156 L157 | P128-I132 HydrophobicContact CG-CG1 4.44Å; E130-I132 PolarHBondContact O-N 3.07Å; I132-E134 PolarHBondContact O-N 3.15Å; I132-V135 PolarHBondContact O-N 3.43Å; I132-Y136 WeakPolarHBondContact O-CB 3.44Å; I132-Y136 PolarHBondContact O-N 3.23Å; I132-L151 HydrophobicContact CG2-CD2 4.35Å; I132-M154 HydrophobicContact CD1-CE 3.33Å; I132-M154 HydrophobicContact CD1-SD 4.3Å; I132-M154 HydrophobicContact CG1-CE 3.82Å; I132-M154 HydrophobicContact CG1-SD 4.25Å; I132-M154 HydrophobicContact CG2-SD 4.13Å; I132-E156 VanDerWaalsContact CD1-CD 3.41Å; I132-E156 HydrophobicContact CD1-CG 4.4Å; I132-E156 WeakPolarHBondContact CD1-OE1 3.37Å; I132-E156 WeakPolarHBondContact CD1-OE2 3.2Å; I132-L157 HydrophobicContact CG2-CD1 3.52Å; I132-L157 HydrophobicContact CG2-CG 3.78Å |
| 133 | P | 92.3 | Very high | 94 | Very high | 58 Ų | 58 | 59.3 Ų | 59.3 | 38% | 0.377 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 175.6 | -23.7 | 35.1 | 0 | 0 | 0 | 114 | Y136 T137 L157 | P133-Y136 PolarHBondContact O-N 3.01Å; P133-T137 PolarHBondContact O-N 3.22Å; P133-T137 PolarHBondContact O-OG1 3.23Å; P133-L157 HydrophobicContact CB-CD2 4.46Å; P133-L157 HydrophobicContact CG-CD2 4.47Å |
| 134 | E | 94.3 | Very high | 94 | Very high | 83 Ų | 83 | 53.5 Ų | 53.5 | 39% | 0.388 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.6 | -42.8 | 179 | -63.7 | 77 | -171.3 | 0 | 0 | 110.8 | H114 N131 I132 Y136 T137 E138 | H114-E134 VanDerWaalsContact CE1-CB 3.48Å; H114-E134 WeakPolarHBondContact CE1-CB 3.16Å; H114-E134 WeakPolarHBondContact NE2-CB 3.03Å; N131-E134 WeakPolarHBondContact CA-OE2 3.47Å; N131-E134 HydrophobicContact CB-CB 4.27Å; N131-E134 WeakPolarHBondContact CB-OE2 3.29Å; N131-E134 PolarHBondContact O-N 3.24Å; I132-E134 PolarHBondContact O-N 3.15Å; E134-Y136 VanDerWaalsContact C-N 3.32Å; E134-Y136 PolarHBondContact O-N 3.14Å; E134-T137 WeakPolarHBondContact O-CB 3.48Å; E134-T137 PolarHBondContact O-N 2.82Å; E134-E138 PolarHBondContact O-N 3.26Å; E134-E138 VanDerWaalsContact O-N 3.13Å |
| 135 | V | 95.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.1 | -36 | 175.6 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | H114 A117 V118 P128 N131 I132 T137 E138 A139 L147 L151 | H114-V135 HydrophobicContact CB-CG2 4.18Å; A117-V135 HydrophobicContact CB-CG1 4.09Å; A117-V135 HydrophobicContact CB-CG2 3.67Å; V118-V135 HydrophobicContact CG2-CG1 4.29Å; P128-V135 HydrophobicContact CB-CG1 4.47Å; P128-V135 HydrophobicContact CB-CG2 4.16Å; P128-V135 HydrophobicContact CG-CB 4.08Å; P128-V135 HydrophobicContact CG-CG1 3.87Å; P128-V135 HydrophobicContact CG-CG2 4.26Å; N131-V135 VanDerWaalsContact O-CG2 3.28Å; N131-V135 WeakPolarHBondContact O-CG2 3.49Å; N131-V135 PolarHBondContact O-N 2.89Å; I132-V135 PolarHBondContact O-N 3.43Å; V135-T137 VanDerWaalsContact C-N 3.34Å; V135-E138 PolarHBondContact O-N 3.46Å; V135-A139 WeakPolarHBondContact O-CB 3.35Å; V135-A139 PolarHBondContact O-N 3.13Å; V135-L147 HydrophobicContact CG1-CD2 4.49Å; V135-L151 HydrophobicContact CG1-CD1 4.17Å |
| 136 | Y | 95.4 | Very high | 94.2 | Very high | 42 Ų | 42 | 56 Ų | 56 | 17% | 0.165 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 173.4 | 178.2 | -103.8 | 0 | 0 | 0 | 111.9 | I132 P133 E134 E138 A139 V140 M148 L151 E152 L157 L161 | I132-Y136 WeakPolarHBondContact O-CB 3.44Å; I132-Y136 PolarHBondContact O-N 3.23Å; P133-Y136 PolarHBondContact O-N 3.01Å; E134-Y136 VanDerWaalsContact C-N 3.32Å; E134-Y136 PolarHBondContact O-N 3.14Å; Y136-E138 VanDerWaalsContact C-N 3.27Å; Y136-E138 PolarHBondContact O-N 2.93Å; Y136-A139 WeakPolarHBondContact O-CB 3.44Å; Y136-A139 PolarHBondContact O-N 2.87Å; Y136-A139 VanDerWaalsContact O-N 3.13Å; Y136-V140 HydrophobicContact CD1-CG2 4.28Å; Y136-V140 HydrophobicContact CE1-CG2 3.86Å; Y136-V140 HydrophobicContact CE2-CG2 4.17Å; Y136-V140 WeakPolarHBondContact O-CG2 3.45Å; Y136-V140 PolarHBondContact O-N 3.35Å; Y136-M148 HydrophobicContact CE2-CB 4.13Å; Y136-M148 HydrophobicContact CE2-CG 4.42Å; Y136-L151 HydrophobicContact CD2-CB 3.93Å; Y136-L151 HydrophobicContact CD2-CD1 4.23Å; Y136-E152 HydrophobicContact CD2-CG 4.49Å; Y136-E152 HydrophobicContact CE2-CG 3.59Å; Y136-E152 WeakPolarHBondContact CE2-OE1 3.46Å; Y136-E152 PolarHBondContact OH-OE1 2.82Å; Y136-L157 HydrophobicContact CD2-CD1 4.03Å; Y136-L157 HydrophobicContact CG-CD1 3.83Å; Y136-L161 HydrophobicContact CE1-CD1 3.97Å |
| 137 | T | 94.9 | Very high | 94.2 | Very high | 80 Ų | 80 | 49.5 Ų | 49.5 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.6 | -42.1 | 175 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | P133 E134 V135 H141 | P133-T137 PolarHBondContact O-N 3.22Å; P133-T137 PolarHBondContact O-OG1 3.23Å; E134-T137 WeakPolarHBondContact O-CB 3.48Å; E134-T137 PolarHBondContact O-N 2.82Å; V135-T137 VanDerWaalsContact C-N 3.34Å; T137-H141 PolarHBondContact O-N 3.35Å |
| 138 | E | 96 | Very high | 94.3 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 7% | 0.065 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.6 | -39.2 | 175.2 | -68.2 | -51.7 | 114.8 | 0 | 0 | 112.5 | R110 H114 V118 E134 V135 Y136 V140 H141 Y142 | R110-E138 IonicContact CZ-OE1 3.92Å; R110-E138 IonicContact NE-OE1 3.81Å; R110-E138 IonicContact NE-OE2 2.79Å; R110-E138 IonicContact NH2-OE1 3.81Å; R110-E138 PolarHBondContact NH2-OE1 3.21Å; R110-E138 IonicContact NH2-OE2 3.69Å; H114-E138 HydrophobicContact CB-CG 4.09Å; V118-E138 HydrophobicContact CG2-CB 3.91Å; E134-E138 PolarHBondContact O-N 3.26Å; E134-E138 VanDerWaalsContact O-N 3.13Å; V135-E138 PolarHBondContact O-N 3.46Å; Y136-E138 VanDerWaalsContact C-N 3.27Å; Y136-E138 PolarHBondContact O-N 2.93Å; E138-V140 VanDerWaalsContact C-N 3.28Å; E138-V140 PolarHBondContact O-N 3.04Å; E138-H141 WeakPolarHBondContact O-CB 3.43Å; E138-H141 PolarHBondContact O-N 3.13Å; E138-H141 VanDerWaalsContact O-N 3.11Å; E138-Y142 HydrophobicContact CB-CD2 4.13Å; E138-Y142 HydrophobicContact CB-CE2 3.94Å; E138-Y142 HydrophobicContact CG-CE2 4.43Å; E138-Y142 WeakPolarHBondContact O-CB 3.46Å; E138-Y142 WeakPolarHBondContact O-CD2 3.5Å; E138-Y142 PolarHBondContact O-N 3.11Å; E138-Y142 WeakPolarHBondContact OE2-CE2 3.19Å; E138-Y142 PolarHBondContact OE2-OH 3.01Å |
| 139 | A | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V135 Y136 N143 I144 L147 M148 L151 | V135-A139 WeakPolarHBondContact O-CB 3.35Å; V135-A139 PolarHBondContact O-N 3.13Å; Y136-A139 WeakPolarHBondContact O-CB 3.44Å; Y136-A139 PolarHBondContact O-N 2.87Å; Y136-A139 VanDerWaalsContact O-N 3.13Å; A139-N143 PolarHBondContact O-N 2.79Å; A139-I144 PolarHBondContact O-N 2.84Å; A139-L147 HydrophobicContact CB-CB 4.2Å; A139-L147 HydrophobicContact CB-CD2 3.62Å; A139-L147 HydrophobicContact CB-CG 3.7Å; A139-M148 HydrophobicContact CB-CG 3.85Å; A139-L151 HydrophobicContact CB-CD1 4.22Å |
| 140 | V | 94.8 | Very high | 94.5 | Very high | 68 Ų | 68 | 52 Ų | 52 | 41% | 0.412 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 172.6 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | Y136 E138 Y142 N143 M148 | Y136-V140 HydrophobicContact CD1-CG2 4.28Å; Y136-V140 HydrophobicContact CE1-CG2 3.86Å; Y136-V140 HydrophobicContact CE2-CG2 4.17Å; Y136-V140 WeakPolarHBondContact O-CG2 3.45Å; Y136-V140 PolarHBondContact O-N 3.35Å; E138-V140 VanDerWaalsContact C-N 3.28Å; E138-V140 PolarHBondContact O-N 3.04Å; V140-Y142 PolarHBondContact O-N 2.95Å; V140-N143 PolarHBondContact O-N 3.02Å; V140-N143 VanDerWaalsContact O-N 3.1Å; V140-M148 HydrophobicContact CG2-CE 3.85Å; V140-M148 HydrophobicContact CG2-CG 4.19Å; V140-M148 HydrophobicContact CG2-SD 4.16Å |
| 141 | H | 94 | Very high | 94.6 | Very high | 49 Ų | 49 | 45.4 Ų | 45.4 | 23% | 0.227 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.5 | -44.7 | 180 | -178.5 | 83.4 | 0 | 0 | 0 | 112.9 | K87 R110 T137 E138 N143 | K87-H141 VanDerWaalsContact CD-O 3.3Å; K87-H141 WeakPolarHBondContact CD-O 3.38Å; K87-H141 PolarHBondContact NZ-CE1 2.89Å; K87-H141 PolarHBondContact NZ-NE2 3.1Å; R110-H141 WeakPolarHBondContact CD-CE1 3.48Å; R110-H141 WeakPolarHBondContact CD-NE2 3.27Å; R110-H141 VanDerWaalsContact CZ-ND1 3.34Å; R110-H141 PolarHBondContact NE-CE1 3.42Å; R110-H141 PolarHBondContact NE-ND1 3.21Å; T137-H141 PolarHBondContact O-N 3.35Å; E138-H141 WeakPolarHBondContact O-CB 3.43Å; E138-H141 PolarHBondContact O-N 3.13Å; E138-H141 VanDerWaalsContact O-N 3.11Å; H141-N143 PolarHBondContact O-N 3.01Å |
| 142 | Y | 93.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -3 | 179.2 | -66.2 | -54.4 | 0 | 0 | 0 | 113.1 | K87 V88 I108 F115 V118 E138 V140 I144 | K87-Y142 WeakPolarHBondContact CB-O 3.36Å; K87-Y142 PolarHBondContact N-O 3.03Å; V88-Y142 HydrophobicContact CG2-CD1 3.29Å; V88-Y142 HydrophobicContact CG2-CE1 4.13Å; V88-Y142 HydrophobicContact CG2-CG 3.57Å; I108-Y142 HydrophobicContact CG2-CE1 4.41Å; F115-Y142 HydrophobicContact CD2-CD2 4.42Å; F115-Y142 HydrophobicContact CD2-CE1 4.41Å; F115-Y142 AromaticContact CD2-CE2 3.6Å; F115-Y142 HydrophobicContact CD2-CE2 3.6Å; F115-Y142 AromaticContact CD2-CZ 3.61Å; F115-Y142 HydrophobicContact CE2-CE1 4.2Å; F115-Y142 HydrophobicContact CE2-CE2 4.01Å; F115-Y142 AromaticContact CE2-CZ 3.84Å; V118-Y142 HydrophobicContact CG1-CD2 4.09Å; V118-Y142 HydrophobicContact CG2-CD2 4.34Å; E138-Y142 HydrophobicContact CB-CD2 4.13Å; E138-Y142 HydrophobicContact CB-CE2 3.94Å; E138-Y142 HydrophobicContact CG-CE2 4.43Å; E138-Y142 WeakPolarHBondContact O-CB 3.46Å; E138-Y142 WeakPolarHBondContact O-CD2 3.5Å; E138-Y142 PolarHBondContact O-N 3.11Å; E138-Y142 WeakPolarHBondContact OE2-CE2 3.19Å; E138-Y142 PolarHBondContact OE2-OH 3.01Å; V140-Y142 PolarHBondContact O-N 2.95Å; Y142-I144 VanDerWaalsContact C-N 3.31Å; Y142-I144 PolarHBondContact O-N 3.25Å |
| 143 | N | 94.7 | Very high | 94.3 | Very high | 63 Ų | 63 | 50.5 Ų | 50.5 | 34% | 0.337 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 44.4 | -178.4 | -168.6 | 41.1 | 0 | 0 | 0 | 112.8 | D85 S86 K87 A139 V140 H141 K145 | D85-N143 PolarHBondContact O-ND2 2.71Å; S86-N143 WeakPolarHBondContact CA-O 3.17Å; K87-N143 HydrophobicContact CB-CB 4.46Å; A139-N143 PolarHBondContact O-N 2.79Å; V140-N143 PolarHBondContact O-N 3.02Å; V140-N143 VanDerWaalsContact O-N 3.1Å; H141-N143 PolarHBondContact O-N 3.01Å; N143-K145 PolarHBondContact O-N 3.14Å |
| 144 | I | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -92 | 80.5 | 178.4 | -56.1 | 167.3 | 0 | 0 | 0 | 108 | V118 F121 L122 A139 Y142 P146 L147 M148 | V118-I144 HydrophobicContact CG1-CD1 3.3Å; F121-I144 HydrophobicContact CD1-CG2 4.14Å; F121-I144 HydrophobicContact CE1-CG2 3.85Å; L122-I144 HydrophobicContact CD1-CD1 4.48Å; L122-I144 HydrophobicContact CD2-CD1 4.2Å; L122-I144 HydrophobicContact CD2-CG2 4.46Å; L122-I144 HydrophobicContact CG-CD1 4.47Å; A139-I144 PolarHBondContact O-N 2.84Å; Y142-I144 VanDerWaalsContact C-N 3.31Å; Y142-I144 PolarHBondContact O-N 3.25Å; I144-P146 VanDerWaalsContact C-CD 3.46Å; I144-P146 VanDerWaalsContact C-N 3.35Å; I144-L147 HydrophobicContact CB-CB 4.11Å; I144-L147 HydrophobicContact CG2-CB 3.64Å; I144-L147 WeakPolarHBondContact O-CB 3.32Å; I144-L147 PolarHBondContact O-N 2.79Å; I144-M148 PolarHBondContact O-N 2.79Å | ||
| 145 | K | 94.7 | Very high | 93.9 | Very high | 107 Ų | 107 | 51 Ų | 51 | 47% | 0.465 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -52.8 | -41.6 | -174 | -56.6 | 178.5 | -171.6 | 140.9 | 0 | 114.3 | D85 N143 L147 M148 K149 | D85-K145 WeakPolarHBondContact OD2-CD 3.45Å; D85-K145 WeakPolarHBondContact OD2-CE 3.32Å; D85-K145 IonicContact OD2-NZ 3.96Å; D85-K145 PolarHBondContact OD2-NZ 2.83Å; N143-K145 PolarHBondContact O-N 3.14Å; K145-L147 VanDerWaalsContact C-N 3.3Å; K145-L147 PolarHBondContact O-N 3.41Å; K145-M148 PolarHBondContact O-N 3.04Å; K145-K149 PolarHBondContact O-N 3.05Å |
| 146 | P | 95.1 | Very high | 93.4 | Very high | 42 Ų | 42 | 56.5 Ų | 56.5 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.9 | -35.5 | 178.4 | -25.1 | 38.1 | 0 | 0 | 0 | 113.1 | F121 I144 R150 | F121-P146 HydrophobicContact CE1-CB 4.42Å; F121-P146 HydrophobicContact CZ-CB 4.07Å; I144-P146 VanDerWaalsContact C-CD 3.46Å; I144-P146 VanDerWaalsContact C-N 3.35Å; P146-R150 WeakPolarHBondContact O-CG 3.35Å; P146-R150 PolarHBondContact O-N 3.48Å |
| 147 | L | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.4 | -48.9 | 175.5 | 179.2 | 56.2 | 0 | 0 | 0 | 110.3 | V118 F121 L127 V135 A139 I144 K145 K149 R150 L151 | V118-L147 HydrophobicContact CG2-CD2 4.35Å; F121-L147 HydrophobicContact CB-CD1 4.22Å; F121-L147 HydrophobicContact CB-CD2 4.28Å; F121-L147 HydrophobicContact CD1-CB 3.81Å; F121-L147 HydrophobicContact CD1-CD1 4.29Å; F121-L147 HydrophobicContact CD1-CD2 4.19Å; F121-L147 HydrophobicContact CD1-CG 4.31Å; F121-L147 HydrophobicContact CD2-CB 4.37Å; F121-L147 HydrophobicContact CD2-CD1 3.58Å; F121-L147 HydrophobicContact CD2-CG 4.44Å; F121-L147 HydrophobicContact CE1-CB 3.65Å; F121-L147 HydrophobicContact CE2-CB 4.19Å; F121-L147 HydrophobicContact CE2-CD1 3.93Å; F121-L147 HydrophobicContact CG-CB 4.18Å; F121-L147 HydrophobicContact CG-CD1 3.75Å; F121-L147 HydrophobicContact CG-CD2 4.17Å; F121-L147 HydrophobicContact CG-CG 4.25Å; F121-L147 HydrophobicContact CZ-CB 3.84Å; F121-L147 HydrophobicContact CZ-CD1 4.46Å; L127-L147 HydrophobicContact CD2-CD1 3.87Å; V135-L147 HydrophobicContact CG1-CD2 4.49Å; A139-L147 HydrophobicContact CB-CB 4.2Å; A139-L147 HydrophobicContact CB-CD2 3.62Å; A139-L147 HydrophobicContact CB-CG 3.7Å; I144-L147 HydrophobicContact CB-CB 4.11Å; I144-L147 HydrophobicContact CG2-CB 3.64Å; I144-L147 WeakPolarHBondContact O-CB 3.32Å; I144-L147 PolarHBondContact O-N 2.79Å; K145-L147 VanDerWaalsContact C-N 3.3Å; K145-L147 PolarHBondContact O-N 3.41Å; L147-K149 VanDerWaalsContact C-N 3.32Å; L147-K149 PolarHBondContact O-N 2.83Å; L147-R150 PolarHBondContact O-N 2.88Å; L147-L151 HydrophobicContact CD1-CD1 3.75Å; L147-L151 HydrophobicContact CD1-CD2 4.19Å; L147-L151 HydrophobicContact CD1-CG 3.77Å; L147-L151 HydrophobicContact CG-CD1 3.79Å; L147-L151 HydrophobicContact CG-CG 4.22Å; L147-L151 WeakPolarHBondContact O-CB 3.38Å; L147-L151 VanDerWaalsContact O-CG 3.26Å; L147-L151 WeakPolarHBondContact O-CG 3.26Å; L147-L151 PolarHBondContact O-N 3.01Å |
| 148 | M | 94.4 | Very high | 92.8 | Very high | 38 Ų | 38 | 56.4 Ų | 56.4 | 19% | 0.187 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -52 | -51.3 | 177.4 | -67.7 | 171 | 54.6 | 0 | 0 | 111.7 | Y136 A139 V140 I144 K145 R150 L151 E152 | Y136-M148 HydrophobicContact CE2-CB 4.13Å; Y136-M148 HydrophobicContact CE2-CG 4.42Å; A139-M148 HydrophobicContact CB-CG 3.85Å; V140-M148 HydrophobicContact CG2-CE 3.85Å; V140-M148 HydrophobicContact CG2-CG 4.19Å; V140-M148 HydrophobicContact CG2-SD 4.16Å; I144-M148 PolarHBondContact O-N 2.79Å; K145-M148 PolarHBondContact O-N 3.04Å; M148-R150 PolarHBondContact O-N 3.02Å; M148-L151 PolarHBondContact O-N 3.37Å; M148-E152 WeakPolarHBondContact O-CG 3.45Å; M148-E152 PolarHBondContact O-N 3.42Å |
| 149 | K | 94.1 | Very high | 92.3 | Very high | 129 Ų | 129 | 57.6 Ų | 57.6 | 56% | 0.561 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.4 | -45.2 | -178.6 | -175.4 | 179.1 | 177.2 | -176.3 | 0 | 112.3 | K145 L147 L151 E152 E153 | K145-K149 PolarHBondContact O-N 3.05Å; L147-K149 VanDerWaalsContact C-N 3.32Å; L147-K149 PolarHBondContact O-N 2.83Å; K149-L151 VanDerWaalsContact C-N 3.34Å; K149-E152 PolarHBondContact O-N 3.26Å; K149-E153 WeakPolarHBondContact CE-OE1 3.2Å; K149-E153 WeakPolarHBondContact O-CG 3.45Å; K149-E153 PolarHBondContact O-N 3.27Å |
| 150 | R | 94.3 | Very high | 91.9 | Very high | 89 Ų | 89 | 60.3 Ų | 60.3 | 34% | 0.336 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.2 | -34.5 | 179.8 | -73.3 | -173.7 | -169.3 | 151 | 17.7 | 112.4 | F121 E125 L127 P146 L147 M148 E153 M154 | F121-R150 VanDerWaalsContact CE2-NH1 3.32Å; E125-R150 PolarHBondContact O-NH1 2.84Å; E125-R150 IonicContact OE2-CZ 2.89Å; E125-R150 VanDerWaalsContact OE2-CZ 3.29Å; E125-R150 IonicContact OE2-NH1 3.75Å; E125-R150 PolarHBondContact OE2-NH1 3.33Å; E125-R150 IonicContact OE2-NH2 3.66Å; E125-R150 PolarHBondContact OE2-NH2 2.68Å; L127-R150 HydrophobicContact CD1-CB 3.94Å; L127-R150 HydrophobicContact CD2-CB 3.63Å; L127-R150 HydrophobicContact CD2-CG 4.45Å; L127-R150 HydrophobicContact CG-CB 4.39Å; P146-R150 WeakPolarHBondContact O-CG 3.35Å; P146-R150 PolarHBondContact O-N 3.48Å; L147-R150 PolarHBondContact O-N 2.88Å; M148-R150 PolarHBondContact O-N 3.02Å; R150-E153 PolarHBondContact O-N 2.7Å; R150-M154 WeakPolarHBondContact O-CG 3.4Å |
| 151 | L | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.4 | -40.8 | 175.3 | -68.7 | 179.5 | 0 | 0 | 0 | 111.3 | L127 P128 I132 V135 Y136 A139 L147 M148 K149 E153 M154 L157 | L127-L151 HydrophobicContact CD2-CD2 4.38Å; P128-L151 HydrophobicContact CG-CD2 3.67Å; I132-L151 HydrophobicContact CG2-CD2 4.35Å; V135-L151 HydrophobicContact CG1-CD1 4.17Å; Y136-L151 HydrophobicContact CD2-CB 3.93Å; Y136-L151 HydrophobicContact CD2-CD1 4.23Å; A139-L151 HydrophobicContact CB-CD1 4.22Å; L147-L151 HydrophobicContact CD1-CD1 3.75Å; L147-L151 HydrophobicContact CD1-CD2 4.19Å; L147-L151 HydrophobicContact CD1-CG 3.77Å; L147-L151 HydrophobicContact CG-CD1 3.79Å; L147-L151 HydrophobicContact CG-CG 4.22Å; L147-L151 WeakPolarHBondContact O-CB 3.38Å; L147-L151 VanDerWaalsContact O-CG 3.26Å; L147-L151 WeakPolarHBondContact O-CG 3.26Å; L147-L151 PolarHBondContact O-N 3.01Å; M148-L151 PolarHBondContact O-N 3.37Å; K149-L151 VanDerWaalsContact C-N 3.34Å; L151-E153 PolarHBondContact O-N 3.22Å; L151-M154 HydrophobicContact CD2-SD 3.55Å; L151-M154 VanDerWaalsContact CD2-SD 3.55Å; L151-M154 VanDerWaalsContact O-CB 3.27Å; L151-M154 WeakPolarHBondContact O-CB 3.38Å; L151-M154 PolarHBondContact O-N 3.19Å; L151-L157 HydrophobicContact CB-CD1 3.79Å; L151-L157 WeakPolarHBondContact O-CB 3.31Å; L151-L157 WeakPolarHBondContact O-CD1 3.47Å |
| 152 | E | 91.4 | Very high | 90.7 | Very high | 67 Ų | 67 | 61 Ų | 61 | 31% | 0.313 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.3 | -27.9 | 175.2 | -76.1 | 165.5 | -169.2 | 0 | 0 | 113.3 | Y136 M148 K149 M154 F158 L161 | Y136-E152 HydrophobicContact CD2-CG 4.49Å; Y136-E152 HydrophobicContact CE2-CG 3.59Å; Y136-E152 WeakPolarHBondContact CE2-OE1 3.46Å; Y136-E152 PolarHBondContact OH-OE1 2.82Å; M148-E152 WeakPolarHBondContact O-CG 3.45Å; M148-E152 PolarHBondContact O-N 3.42Å; K149-E152 PolarHBondContact O-N 3.26Å; E152-M154 VanDerWaalsContact C-N 3.32Å; E152-F158 WeakPolarHBondContact O-CA 3.49Å; E152-F158 WeakPolarHBondContact O-CB 3.38Å; E152-L161 HydrophobicContact CG-CD1 3.94Å |
| 153 | E | 90.9 | Very high | 90.4 | Very high | 128 Ų | 128 | 62.5 Ų | 62.5 | 60% | 0.598 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -11.1 | 175.3 | -69.2 | 169.2 | -174.6 | 0 | 0 | 112.8 | K149 R150 L151 | K149-E153 WeakPolarHBondContact CE-OE1 3.2Å; K149-E153 WeakPolarHBondContact O-CG 3.45Å; K149-E153 PolarHBondContact O-N 3.27Å; R150-E153 PolarHBondContact O-N 2.7Å; L151-E153 PolarHBondContact O-N 3.22Å |
| 154 | M | 90.9 | Very high | 90.3 | Very high | 36 Ų | 36 | 61 Ų | 61 | 18% | 0.177 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -74.7 | 143.3 | 178.1 | -63.9 | -178.1 | 71 | 0 | 0 | 111.3 | L127 I132 R150 L151 E152 E156 L157 F158 | L127-M154 HydrophobicContact CD1-SD 4.43Å; I132-M154 HydrophobicContact CD1-CE 3.33Å; I132-M154 HydrophobicContact CD1-SD 4.3Å; I132-M154 HydrophobicContact CG1-CE 3.82Å; I132-M154 HydrophobicContact CG1-SD 4.25Å; I132-M154 HydrophobicContact CG2-SD 4.13Å; R150-M154 WeakPolarHBondContact O-CG 3.4Å; L151-M154 HydrophobicContact CD2-SD 3.55Å; L151-M154 VanDerWaalsContact CD2-SD 3.55Å; L151-M154 VanDerWaalsContact O-CB 3.27Å; L151-M154 WeakPolarHBondContact O-CB 3.38Å; L151-M154 PolarHBondContact O-N 3.19Å; E152-M154 VanDerWaalsContact C-N 3.32Å; M154-E156 VanDerWaalsContact C-N 3.27Å; M154-E156 PolarHBondContact O-N 2.93Å; M154-E156 VanDerWaalsContact O-N 3.13Å; M154-L157 PolarHBondContact O-N 3.37Å; M154-L157 VanDerWaalsContact O-N 3.08Å; M154-F158 VanDerWaalsContact O-CB 3.31Å; M154-F158 WeakPolarHBondContact O-CB 3.46Å; M154-F158 PolarHBondContact O-N 3.32Å |
| 155 | P | 87.3 | Confident | 90.1 | Very high | 115 Ų | 115 | 64.4 Ų | 64.4 | 75% | 0.747 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -52.3 | -40.5 | -175.4 | -29 | 35.1 | 0 | 0 | 0 | 114.8 | L157 G159 | P155-L157 PolarHBondContact O-N 2.96Å; P155-G159 PolarHBondContact O-N 3.47Å |
| 156 | E | 85.1 | Confident | 89.9 | Confident | 118 Ų | 118 | 64.1 Ų | 64.1 | 55% | 0.551 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.2 | -40.8 | -179.1 | -68.3 | 180 | -151.1 | 0 | 0 | 112.8 | I132 M154 | I132-E156 VanDerWaalsContact CD1-CD 3.41Å; I132-E156 HydrophobicContact CD1-CG 4.4Å; I132-E156 WeakPolarHBondContact CD1-OE1 3.37Å; I132-E156 WeakPolarHBondContact CD1-OE2 3.2Å; M154-E156 VanDerWaalsContact C-N 3.27Å; M154-E156 PolarHBondContact O-N 2.93Å; M154-E156 VanDerWaalsContact O-N 3.13Å |
| 157 | L | 87.6 | Confident | 89.8 | Confident | 11 Ų | 11 | 62.8 Ų | 62.8 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -91.2 | -35.1 | -178.9 | -71 | 174.3 | 0 | 0 | 0 | 112.4 | I132 P133 Y136 L151 M154 P155 G159 E160 L161 | I132-L157 HydrophobicContact CG2-CD1 3.52Å; I132-L157 HydrophobicContact CG2-CG 3.78Å; P133-L157 HydrophobicContact CB-CD2 4.46Å; P133-L157 HydrophobicContact CG-CD2 4.47Å; Y136-L157 HydrophobicContact CD2-CD1 4.03Å; Y136-L157 HydrophobicContact CG-CD1 3.83Å; L151-L157 HydrophobicContact CB-CD1 3.79Å; L151-L157 WeakPolarHBondContact O-CB 3.31Å; L151-L157 WeakPolarHBondContact O-CD1 3.47Å; M154-L157 PolarHBondContact O-N 3.37Å; M154-L157 VanDerWaalsContact O-N 3.08Å; P155-L157 PolarHBondContact O-N 2.96Å; L157-G159 VanDerWaalsContact C-N 3.33Å; L157-G159 PolarHBondContact O-N 3.31Å; L157-E160 PolarHBondContact O-N 2.76Å; L157-L161 HydrophobicContact CB-CD1 4.1Å; L157-L161 HydrophobicContact CD2-CD1 4.38Å; L157-L161 VanDerWaalsContact O-CB 3.27Å; L157-L161 WeakPolarHBondContact O-CB 3.23Å; L157-L161 WeakPolarHBondContact O-CG 3.48Å; L157-L161 PolarHBondContact O-N 2.84Å |
| 158 | F | 89.1 | Confident | 89.7 | Confident | 109 Ų | 109 | 63.3 Ų | 63.3 | 48% | 0.478 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.5 | -46 | 179 | -178.2 | -94.8 | 0 | 0 | 0 | 111.5 | E152 M154 E160 V162 G163 | E152-F158 WeakPolarHBondContact O-CA 3.49Å; E152-F158 WeakPolarHBondContact O-CB 3.38Å; M154-F158 VanDerWaalsContact O-CB 3.31Å; M154-F158 WeakPolarHBondContact O-CB 3.46Å; M154-F158 PolarHBondContact O-N 3.32Å; F158-E160 VanDerWaalsContact C-N 3.32Å; F158-E160 PolarHBondContact O-N 3.44Å; F158-V162 HydrophobicContact CD2-CB 4.2Å; F158-V162 HydrophobicContact CD2-CG2 3.99Å; F158-V162 HydrophobicContact CE2-CB 4.04Å; F158-V162 HydrophobicContact CE2-CG1 4.12Å; F158-V162 HydrophobicContact CE2-CG2 4.06Å; F158-V162 HydrophobicContact CZ-CB 4.37Å; F158-V162 HydrophobicContact CZ-CG1 4.25Å; F158-V162 WeakPolarHBondContact O-CB 3.38Å; F158-V162 PolarHBondContact O-N 3.41Å; F158-G163 PolarHBondContact O-N 3.02Å; F158-G163 VanDerWaalsContact O-N 3.15Å |
| 159 | G | 86.4 | Confident | 89.6 | Confident | 39 Ų | 39 | 66 Ų | 66 | 40% | 0.402 | 35% | 0.347 | S | S | . | . | I | π-helix | trans | -59.3 | -43.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P155 L157 G163 R164 | P155-G159 PolarHBondContact O-N 3.47Å; L157-G159 VanDerWaalsContact C-N 3.33Å; L157-G159 PolarHBondContact O-N 3.31Å; G159-G163 CarbonylContact O-C 3.55Å; G159-G163 WeakPolarHBondContact O-CA 3.43Å; G159-G163 PolarHBondContact O-N 2.97Å; G159-R164 PolarHBondContact O-N 2.83Å |
| 160 | E | 86.6 | Confident | 89.5 | Confident | 57 Ų | 57 | 65.8 Ų | 65.8 | 27% | 0.266 | 34% | 0.342 | S | S | . | . | I | π-helix | trans | -74.6 | -59.9 | 179.8 | -179.8 | 54.3 | -142.7 | 0 | 0 | 112.1 | L157 F158 R164 Q165 | L157-E160 PolarHBondContact O-N 2.76Å; F158-E160 VanDerWaalsContact C-N 3.32Å; F158-E160 PolarHBondContact O-N 3.44Å; E160-R164 IonicContact OE1-CZ 2.83Å; E160-R164 IonicContact OE1-NE 2.76Å; E160-R164 PolarHBondContact OE1-NE 2.87Å; E160-R164 IonicContact OE1-NH2 3.74Å; E160-R164 PolarHBondContact OE1-NH2 3.45Å; E160-R164 WeakPolarHBondContact OE2-CD 3.33Å; E160-R164 IonicContact OE2-CZ 3.82Å; E160-R164 IonicContact OE2-NE 2.86Å; E160-R164 PolarHBondContact OE2-NE 3.28Å; E160-R164 IonicContact OE2-NH2 3.84Å; E160-Q165 WeakPolarHBondContact O-CG 3.38Å; E160-Q165 PolarHBondContact O-N 3.44Å; E160-Q165 PolarHBondContact OE1-NE2 3.08Å |
| 161 | L | 81.1 | Confident | 89.4 | Confident | 67 Ų | 67 | 61.9 Ų | 61.9 | 35% | 0.351 | 33% | 0.328 | S | S | . | . | I | π-helix | trans | -70.9 | -33.8 | -170.2 | -65.1 | 178 | 0 | 0 | 0 | 113.7 | Y136 E152 L157 Q165 | Y136-L161 HydrophobicContact CE1-CD1 3.97Å; E152-L161 HydrophobicContact CG-CD1 3.94Å; L157-L161 HydrophobicContact CB-CD1 4.1Å; L157-L161 HydrophobicContact CD2-CD1 4.38Å; L157-L161 VanDerWaalsContact O-CB 3.27Å; L157-L161 WeakPolarHBondContact O-CB 3.23Å; L157-L161 WeakPolarHBondContact O-CG 3.48Å; L157-L161 PolarHBondContact O-N 2.84Å; L161-Q165 WeakPolarHBondContact O-CB 3.35Å |
| 162 | V | 83.4 | Confident | 89.3 | Confident | 63 Ų | 63 | 64.3 Ų | 64.3 | 38% | 0.382 | 34% | 0.344 | S | S | . | . | I | π-helix | trans | -105.4 | -59.3 | -177.1 | -174.4 | 0 | 0 | 0 | 0 | 109.7 | F158 Q166 | F158-V162 HydrophobicContact CD2-CB 4.2Å; F158-V162 HydrophobicContact CD2-CG2 3.99Å; F158-V162 HydrophobicContact CE2-CB 4.04Å; F158-V162 HydrophobicContact CE2-CG1 4.12Å; F158-V162 HydrophobicContact CE2-CG2 4.06Å; F158-V162 HydrophobicContact CZ-CB 4.37Å; F158-V162 HydrophobicContact CZ-CG1 4.25Å; F158-V162 WeakPolarHBondContact O-CB 3.38Å; F158-V162 PolarHBondContact O-N 3.41Å; V162-Q166 WeakPolarHBondContact O-CB 3.43Å; V162-Q166 PolarHBondContact O-N 3.06Å |
| 163 | G | 87.3 | Confident | 89.4 | Confident | 35 Ų | 35 | 67.3 Ų | 67.3 | 36% | 0.361 | 36% | 0.358 | S | S | . | . | I | π-helix | trans | -61.5 | -63.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F158 G159 F167 | F158-G163 PolarHBondContact O-N 3.02Å; F158-G163 VanDerWaalsContact O-N 3.15Å; G159-G163 CarbonylContact O-C 3.55Å; G159-G163 WeakPolarHBondContact O-CA 3.43Å; G159-G163 PolarHBondContact O-N 2.97Å; G163-F167 PolarHBondContact O-N 3.45Å; G163-F167 VanDerWaalsContact O-N 3.12Å |
| 164 | R | 92.2 | Very high | 89.7 | Confident | 32 Ų | 32 | 61.9 Ų | 61.9 | 12% | 0.121 | 33% | 0.332 | C | S | . | . | I | π-helix | trans | -65.1 | -49 | -175.7 | -162.2 | -178.9 | 77.4 | 100.5 | -4.2 | 111.4 | G159 E160 Q166 F167 L168 C243 D247 | G159-R164 PolarHBondContact O-N 2.83Å; E160-R164 IonicContact OE1-CZ 2.83Å; E160-R164 IonicContact OE1-NE 2.76Å; E160-R164 PolarHBondContact OE1-NE 2.87Å; E160-R164 IonicContact OE1-NH2 3.74Å; E160-R164 PolarHBondContact OE1-NH2 3.45Å; E160-R164 WeakPolarHBondContact OE2-CD 3.33Å; E160-R164 IonicContact OE2-CZ 3.82Å; E160-R164 IonicContact OE2-NE 2.86Å; E160-R164 PolarHBondContact OE2-NE 3.28Å; E160-R164 IonicContact OE2-NH2 3.84Å; R164-Q166 PolarHBondContact O-N 3.1Å; R164-F167 WeakPolarHBondContact O-CB 3.48Å; R164-F167 PolarHBondContact O-N 3.21Å; R164-F167 VanDerWaalsContact O-N 3.16Å; R164-L168 HydrophobicContact CG-CD1 4.16Å; R164-L168 HydrophobicContact CG-CG 4.37Å; R164-L168 VanDerWaalsContact NH1-CD1 3.34Å; R164-L168 WeakPolarHBondContact O-CG 3.48Å; R164-L168 PolarHBondContact O-N 3.03Å; R164-C243 VanDerWaalsContact CG-SG 3.53Å; R164-D247 IonicContact CZ-OD1 3.19Å; R164-D247 VanDerWaalsContact CZ-OD1 3.32Å; R164-D247 IonicContact CZ-OD2 3.32Å; R164-D247 IonicContact NH1-OD1 2.87Å; R164-D247 PolarHBondContact NH1-OD1 2.88Å; R164-D247 IonicContact NH1-OD2 2.94Å; R164-D247 PolarHBondContact NH1-OD2 3.4Å; R164-D247 IonicContact NH2-OD1 2.71Å; R164-D247 PolarHBondContact NH2-OD1 3.49Å; R164-D247 IonicContact NH2-OD2 2.85Å |
| 165 | Q | 91.1 | Very high | 89.9 | Confident | 71 Ų | 71 | 66.9 Ų | 66.9 | 33% | 0.332 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | -179.8 | -65 | -50.9 | -47.5 | 0 | 0 | 112.9 | E160 L161 F167 L168 S169 | E160-Q165 WeakPolarHBondContact O-CG 3.38Å; E160-Q165 PolarHBondContact O-N 3.44Å; E160-Q165 PolarHBondContact OE1-NE2 3.08Å; L161-Q165 WeakPolarHBondContact O-CB 3.35Å; Q165-F167 VanDerWaalsContact C-N 3.32Å; Q165-F167 PolarHBondContact O-N 2.95Å; Q165-L168 PolarHBondContact O-N 3.24Å; Q165-S169 WeakPolarHBondContact O-CB 3.48Å; Q165-S169 PolarHBondContact O-N 3.48Å |
| 166 | Q | 90.3 | Very high | 90.3 | Very high | 101 Ų | 101 | 66.5 Ų | 66.5 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 175.6 | -173.7 | -179 | 22.3 | 0 | 0 | 111.4 | V162 R164 S169 | V162-Q166 WeakPolarHBondContact O-CB 3.43Å; V162-Q166 PolarHBondContact O-N 3.06Å; R164-Q166 PolarHBondContact O-N 3.1Å; Q166-S169 PolarHBondContact O-OG 3.15Å |
| 167 | F | 92.6 | Very high | 90.8 | Very high | 13 Ų | 13 | 62 Ų | 62 | 6% | 0.057 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.5 | -53.2 | 173.3 | 167.4 | -131 | 0 | 0 | 0 | 111.6 | G163 R164 Q165 S169 R170 V171 W231 A233 P235 L240 | G163-F167 PolarHBondContact O-N 3.45Å; G163-F167 VanDerWaalsContact O-N 3.12Å; R164-F167 WeakPolarHBondContact O-CB 3.48Å; R164-F167 PolarHBondContact O-N 3.21Å; R164-F167 VanDerWaalsContact O-N 3.16Å; Q165-F167 VanDerWaalsContact C-N 3.32Å; Q165-F167 PolarHBondContact O-N 2.95Å; F167-S169 PolarHBondContact O-N 3.07Å; F167-R170 WeakPolarHBondContact O-CB 3.27Å; F167-R170 PolarHBondContact O-N 3.07Å; F167-V171 HydrophobicContact CD2-CG2 4.25Å; F167-V171 HydrophobicContact CE2-CG2 3.68Å; F167-V171 HydrophobicContact CZ-CG2 3.85Å; F167-W231 AromaticContact CE2-CD1 3.72Å; F167-W231 HydrophobicContact CE2-CG 4.38Å; F167-W231 AromaticContact CE2-NE1 3.53Å; F167-A233 HydrophobicContact CD2-CB 4.16Å; F167-A233 HydrophobicContact CE2-CB 4.44Å; F167-P235 HydrophobicContact CB-CG 4.09Å; F167-P235 HydrophobicContact CD1-CB 4.02Å; F167-P235 HydrophobicContact CD1-CG 4.18Å; F167-P235 HydrophobicContact CD2-CB 3.78Å; F167-P235 HydrophobicContact CD2-CG 3.6Å; F167-P235 HydrophobicContact CE1-CB 3.93Å; F167-P235 HydrophobicContact CE2-CB 3.72Å; F167-P235 HydrophobicContact CE2-CG 4.07Å; F167-P235 HydrophobicContact CG-CB 3.94Å; F167-P235 HydrophobicContact CG-CG 3.68Å; F167-P235 HydrophobicContact CZ-CB 3.79Å; F167-L240 HydrophobicContact CE1-CB 4.21Å; F167-L240 HydrophobicContact CE1-CD1 4.2Å; F167-L240 HydrophobicContact CZ-CB 4.02Å; F167-L240 HydrophobicContact CZ-CD1 4.13Å |
| 168 | L | 93.5 | Very high | 91.3 | Very high | 11 Ų | 11 | 61.6 Ų | 61.6 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.7 | -31.9 | -177.4 | -66.8 | -177.6 | 0 | 0 | 0 | 113.1 | R164 Q165 R170 V171 Y174 L240 C243 | R164-L168 HydrophobicContact CG-CD1 4.16Å; R164-L168 HydrophobicContact CG-CG 4.37Å; R164-L168 VanDerWaalsContact NH1-CD1 3.34Å; R164-L168 WeakPolarHBondContact O-CG 3.48Å; R164-L168 PolarHBondContact O-N 3.03Å; Q165-L168 PolarHBondContact O-N 3.24Å; L168-R170 PolarHBondContact O-N 3.24Å; L168-R170 VanDerWaalsContact O-N 3.12Å; L168-V171 PolarHBondContact O-N 2.93Å; L168-Y174 HydrophobicContact CB-CD1 4.42Å; L168-Y174 HydrophobicContact CD1-CD1 4.18Å; L168-Y174 HydrophobicContact CD1-CE1 3.64Å; L168-Y174 HydrophobicContact CD2-CD1 4.13Å; L168-Y174 HydrophobicContact CD2-CD2 3.72Å; L168-Y174 HydrophobicContact CD2-CE1 3.88Å; L168-Y174 HydrophobicContact CD2-CE2 3.45Å; L168-Y174 VanDerWaalsContact CD2-CE2 3.45Å; L168-Y174 HydrophobicContact CD2-CG 4.05Å; L168-Y174 HydrophobicContact CG-CD1 4.48Å; L168-Y174 HydrophobicContact CG-CE1 4.26Å; L168-L240 HydrophobicContact CD2-CD1 4.37Å; L168-C243 HydrophobicContact CD2-CB 3.95Å |
| 169 | S | 91.9 | Very high | 91.6 | Very high | 95 Ų | 95 | 60.3 Ų | 60.3 | 66% | 0.664 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -20.5 | 173.6 | 77.8 | 0 | 0 | 0 | 0 | 114 | Q165 Q166 F167 | Q165-S169 WeakPolarHBondContact O-CB 3.48Å; Q165-S169 PolarHBondContact O-N 3.48Å; Q166-S169 PolarHBondContact O-OG 3.15Å; F167-S169 PolarHBondContact O-N 3.07Å |
| 170 | R | 91.9 | Very high | 92.1 | Very high | 124 Ų | 124 | 61.2 Ų | 61.2 | 47% | 0.468 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -7.8 | 178 | -60 | 176.7 | -177.7 | 168.4 | 3.6 | 113.1 | F167 L168 P172 | F167-R170 WeakPolarHBondContact O-CB 3.27Å; F167-R170 PolarHBondContact O-N 3.07Å; L168-R170 PolarHBondContact O-N 3.24Å; L168-R170 VanDerWaalsContact O-N 3.12Å; R170-P172 WeakPolarHBondContact O-CD 3.44Å |
| 171 | V | 92.7 | Very high | 92.5 | Very high | 7 Ų | 7 | 58.5 Ų | 58.5 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -91 | 114.1 | 177.7 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | F167 L168 H173 Y174 F228 W231 L240 | F167-V171 HydrophobicContact CD2-CG2 4.25Å; F167-V171 HydrophobicContact CE2-CG2 3.68Å; F167-V171 HydrophobicContact CZ-CG2 3.85Å; L168-V171 PolarHBondContact O-N 2.93Å; V171-H173 PolarHBondContact O-N 3.49Å; V171-Y174 HydrophobicContact CB-CD2 4.44Å; V171-Y174 HydrophobicContact CG1-CD2 4.13Å; V171-F228 HydrophobicContact CG1-CB 4.41Å; V171-F228 HydrophobicContact CG1-CD1 4.17Å; V171-W231 HydrophobicContact CG2-CB 4.44Å; V171-W231 HydrophobicContact CG2-CG 4.36Å; V171-L240 HydrophobicContact CG1-CD1 4.15Å; V171-L240 HydrophobicContact CG2-CD1 4.13Å |
| 172 | P | 91.9 | Very high | 93.2 | Very high | 51 Ų | 51 | 55.8 Ų | 55.8 | 33% | 0.331 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 137.1 | -177.9 | -23.8 | 34.2 | 0 | 0 | 0 | 111.9 | R170 Y174 P230 | R170-P172 WeakPolarHBondContact O-CD 3.44Å; P172-Y174 PolarHBondContact O-N 3.33Å; P172-P230 WeakPolarHBondContact CG-O 3.36Å |
| 173 | H | 94.4 | Very high | 93.8 | Very high | 131 Ų | 131 | 60.3 Ų | 60.3 | 61% | 0.606 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 25.5 | 173.3 | -53.4 | -62.2 | 0 | 0 | 0 | 115 | V171 K175 E176 N177 | V171-H173 PolarHBondContact O-N 3.49Å; H173-K175 PolarHBondContact O-N 3Å; H173-E176 VanDerWaalsContact CA-OE2 3.22Å; H173-E176 WeakPolarHBondContact CA-OE2 3.31Å; H173-E176 HydrophobicContact CB-CB 4.38Å; H173-E176 PolarHBondContact O-N 3.44Å; H173-N177 VanDerWaalsContact O-CB 3.3Å; H173-N177 WeakPolarHBondContact O-CB 3.45Å; H173-N177 PolarHBondContact O-N 3.15Å; H173-N177 PolarHBondContact O-ND2 3.27Å |
| 174 | Y | 95.6 | Very high | 94.1 | Very high | 13 Ų | 13 | 61 Ų | 61 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.5 | -49 | -173.5 | 178.2 | -94.5 | 0 | 0 | 0 | 112.6 | L168 V171 P172 N177 I178 F228 L240 C243 V244 D247 | L168-Y174 HydrophobicContact CB-CD1 4.42Å; L168-Y174 HydrophobicContact CD1-CD1 4.18Å; L168-Y174 HydrophobicContact CD1-CE1 3.64Å; L168-Y174 HydrophobicContact CD2-CD1 4.13Å; L168-Y174 HydrophobicContact CD2-CD2 3.72Å; L168-Y174 HydrophobicContact CD2-CE1 3.88Å; L168-Y174 HydrophobicContact CD2-CE2 3.45Å; L168-Y174 VanDerWaalsContact CD2-CE2 3.45Å; L168-Y174 HydrophobicContact CD2-CG 4.05Å; L168-Y174 HydrophobicContact CG-CD1 4.48Å; L168-Y174 HydrophobicContact CG-CE1 4.26Å; V171-Y174 HydrophobicContact CB-CD2 4.44Å; V171-Y174 HydrophobicContact CG1-CD2 4.13Å; P172-Y174 PolarHBondContact O-N 3.33Å; Y174-N177 PolarHBondContact O-N 2.94Å; Y174-I178 HydrophobicContact CD1-CG1 4.42Å; Y174-I178 HydrophobicContact CE1-CG1 4Å; Y174-I178 HydrophobicContact CE2-CD1 4.47Å; Y174-I178 WeakPolarHBondContact O-CG1 3.42Å; Y174-I178 PolarHBondContact O-N 3.41Å; Y174-F228 AromaticContact CD2-CD1 3.82Å; Y174-F228 HydrophobicContact CD2-CD1 3.82Å; Y174-F228 AromaticContact CD2-CE1 3.59Å; Y174-F228 HydrophobicContact CD2-CE1 3.59Å; Y174-F228 HydrophobicContact CE2-CD1 4.39Å; Y174-F228 AromaticContact CE2-CE1 3.95Å; Y174-F228 HydrophobicContact CE2-CE1 3.95Å; Y174-F228 HydrophobicContact CG-CE1 4.4Å; Y174-L240 HydrophobicContact CD2-CD1 4.02Å; Y174-L240 HydrophobicContact CE2-CD1 3.82Å; Y174-C243 PolarHBondContact OH-O 3.12Å; Y174-C243 VanDerWaalsContact OH-O 3.1Å; Y174-V244 HydrophobicContact CE2-CG2 3.82Å; Y174-V244 PolarHBondContact OH-N 3.39Å; Y174-D247 WeakPolarHBondContact CE1-OD2 3.48Å; Y174-D247 VanDerWaalsContact CZ-OD2 3.26Å; Y174-D247 PolarHBondContact OH-OD2 3.01Å |
| 175 | K | 95.8 | Very high | 94.2 | Very high | 142 Ų | 142 | 59.5 Ų | 59.5 | 62% | 0.617 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -66 | -42.9 | -177.9 | -69 | -175.4 | 179.2 | -179.6 | 0 | 111.6 | H173 N177 I178 E179 | H173-K175 PolarHBondContact O-N 3Å; K175-N177 VanDerWaalsContact C-N 3.34Å; K175-I178 PolarHBondContact O-N 3.42Å; K175-E179 PolarHBondContact O-N 2.76Å; K175-E179 VanDerWaalsContact O-N 3.12Å |
| 176 | E | 96 | Very high | 94.3 | Very high | 106 Ų | 106 | 63.2 Ų | 63.2 | 50% | 0.495 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 177.9 | -63.6 | 77.6 | -175 | 0 | 0 | 110.8 | H173 I178 E179 V180 | H173-E176 VanDerWaalsContact CA-OE2 3.22Å; H173-E176 WeakPolarHBondContact CA-OE2 3.31Å; H173-E176 HydrophobicContact CB-CB 4.38Å; H173-E176 PolarHBondContact O-N 3.44Å; E176-I178 PolarHBondContact O-N 2.63Å; E176-E179 WeakPolarHBondContact O-CB 3.42Å; E176-E179 PolarHBondContact O-N 3.16Å; E176-V180 WeakPolarHBondContact O-CG2 3.41Å; E176-V180 PolarHBondContact O-N 2.84Å |
| 177 | N | 96 | Very high | 94.4 | Very high | 24 Ų | 24 | 61.8 Ų | 61.8 | 13% | 0.128 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 177.6 | -71.9 | -13.6 | 0 | 0 | 0 | 112 | H173 Y174 K175 E179 V180 L181 V226 T227 F228 | H173-N177 VanDerWaalsContact O-CB 3.3Å; H173-N177 WeakPolarHBondContact O-CB 3.45Å; H173-N177 PolarHBondContact O-N 3.15Å; H173-N177 PolarHBondContact O-ND2 3.27Å; Y174-N177 PolarHBondContact O-N 2.94Å; K175-N177 VanDerWaalsContact C-N 3.34Å; N177-E179 VanDerWaalsContact C-N 3.3Å; N177-E179 PolarHBondContact O-N 3.45Å; N177-V180 PolarHBondContact O-N 3Å; N177-L181 WeakPolarHBondContact O-CG 3.33Å; N177-L181 PolarHBondContact O-N 3.13Å; N177-V226 HydrophobicContact CB-CG1 3.86Å; N177-T227 PolarHBondContact ND2-O 2.9Å; N177-F228 HydrophobicContact CB-CD1 4.16Å; N177-F228 HydrophobicContact CB-CE1 3.5Å; N177-F228 HydrophobicContact CB-CE2 4.18Å; N177-F228 HydrophobicContact CB-CZ 3.53Å |
| 178 | I | 97.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 173.4 | -65.2 | -68.5 | 0 | 0 | 0 | 111 | Y174 K175 E176 L181 I182 F228 V244 D247 I248 | Y174-I178 HydrophobicContact CD1-CG1 4.42Å; Y174-I178 HydrophobicContact CE1-CG1 4Å; Y174-I178 HydrophobicContact CE2-CD1 4.47Å; Y174-I178 WeakPolarHBondContact O-CG1 3.42Å; Y174-I178 PolarHBondContact O-N 3.41Å; K175-I178 PolarHBondContact O-N 3.42Å; E176-I178 PolarHBondContact O-N 2.63Å; I178-L181 PolarHBondContact O-N 2.98Å; I178-I182 HydrophobicContact CG2-CD1 3.97Å; I178-I182 WeakPolarHBondContact O-CG1 3.4Å; I178-I182 PolarHBondContact O-N 3.08Å; I178-I182 VanDerWaalsContact O-N 3.14Å; I178-F228 HydrophobicContact CD1-CZ 4.31Å; I178-V244 HydrophobicContact CD1-CB 4.11Å; I178-V244 HydrophobicContact CD1-CG1 3.79Å; I178-V244 HydrophobicContact CD1-CG2 4.05Å; I178-D247 HydrophobicContact CD1-CB 4.47Å; I178-I248 HydrophobicContact CD1-CD1 4.4Å; I178-I248 HydrophobicContact CD1-CG1 4.25Å; I178-I248 HydrophobicContact CG2-CG1 4.27Å |
| 179 | E | 96.3 | Very high | 94.1 | Very high | 82 Ų | 82 | 64.9 Ų | 64.9 | 38% | 0.383 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 176 | -69.6 | -173.7 | -169.7 | 0 | 0 | 112.7 | K175 E176 N177 I182 R183 | K175-E179 PolarHBondContact O-N 2.76Å; K175-E179 VanDerWaalsContact O-N 3.12Å; E176-E179 WeakPolarHBondContact O-CB 3.42Å; E176-E179 PolarHBondContact O-N 3.16Å; N177-E179 VanDerWaalsContact C-N 3.3Å; N177-E179 PolarHBondContact O-N 3.45Å; E179-I182 PolarHBondContact O-N 3.18Å; E179-R183 WeakPolarHBondContact O-CB 3.45Å; E179-R183 WeakPolarHBondContact O-CG 3.2Å; E179-R183 PolarHBondContact O-N 2.94Å; E179-R183 IonicContact OE2-CZ 3.71Å; E179-R183 IonicContact OE2-NH2 2.79Å; E179-R183 PolarHBondContact OE2-NH2 3.45Å |
| 180 | V | 95.6 | Very high | 93.8 | Very high | 58 Ų | 58 | 66.7 Ų | 66.7 | 35% | 0.352 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 176.8 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | E176 N177 I182 R183 I184 V226 | E176-V180 WeakPolarHBondContact O-CG2 3.41Å; E176-V180 PolarHBondContact O-N 2.84Å; N177-V180 PolarHBondContact O-N 3Å; V180-I182 VanDerWaalsContact C-N 3.33Å; V180-I182 PolarHBondContact O-N 3.49Å; V180-R183 PolarHBondContact O-N 3.34Å; V180-R183 VanDerWaalsContact O-N 3.15Å; V180-I184 HydrophobicContact CG1-CD1 3.67Å; V180-I184 HydrophobicContact CG1-CG1 4.29Å; V180-I184 WeakPolarHBondContact O-CG1 3.44Å; V180-I184 PolarHBondContact O-N 3.32Å; V180-V226 HydrophobicContact CG1-CG2 3.84Å |
| 181 | L | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -53.9 | -49.7 | 176.1 | -72.9 | 173.1 | 0 | 0 | 0 | 111.5 | N177 I178 R183 I184 A185 I197 I199 V226 F228 V244 I248 L277 | N177-L181 WeakPolarHBondContact O-CG 3.33Å; N177-L181 PolarHBondContact O-N 3.13Å; I178-L181 PolarHBondContact O-N 2.98Å; L181-R183 VanDerWaalsContact C-N 3.35Å; L181-R183 PolarHBondContact O-N 2.87Å; L181-I184 PolarHBondContact O-N 2.88Å; L181-A185 VanDerWaalsContact O-CB 3.3Å; L181-A185 WeakPolarHBondContact O-CB 3.18Å; L181-A185 PolarHBondContact O-N 3.1Å; L181-I197 HydrophobicContact CD2-CB 4.3Å; L181-I197 HydrophobicContact CD2-CD1 4.32Å; L181-I197 HydrophobicContact CD2-CG2 3.71Å; L181-I197 WeakPolarHBondContact O-CD1 3.44Å; L181-I199 HydrophobicContact CD1-CD1 4.28Å; L181-I199 HydrophobicContact CD2-CG1 4.15Å; L181-V226 HydrophobicContact CD2-CB 3.68Å; L181-V226 HydrophobicContact CD2-CG1 4.16Å; L181-V226 HydrophobicContact CD2-CG2 3.61Å; L181-V226 HydrophobicContact CG-CB 4.2Å; L181-V226 HydrophobicContact CG-CG1 4.11Å; L181-V226 HydrophobicContact CG-CG2 4.2Å; L181-F228 HydrophobicContact CD1-CE2 3.99Å; L181-F228 HydrophobicContact CD1-CZ 3.94Å; L181-V244 HydrophobicContact CD1-CG1 4.08Å; L181-I248 HydrophobicContact CD1-CD1 4.21Å; L181-L277 HydrophobicContact CB-CD2 4.36Å; L181-L277 HydrophobicContact CD1-CD2 3.97Å; L181-L277 HydrophobicContact CD2-CD2 4.02Å; L181-L277 HydrophobicContact CG-CD2 4.35Å |
| 182 | I | 96.2 | Very high | 93.6 | Very high | 11 Ų | 11 | 67 Ų | 67 | 6% | 0.056 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 180 | -70.4 | 164.9 | 0 | 0 | 0 | 111.6 | I178 E179 V180 A185 R186 R251 Y253 F279 | I178-I182 HydrophobicContact CG2-CD1 3.97Å; I178-I182 WeakPolarHBondContact O-CG1 3.4Å; I178-I182 PolarHBondContact O-N 3.08Å; I178-I182 VanDerWaalsContact O-N 3.14Å; E179-I182 PolarHBondContact O-N 3.18Å; V180-I182 VanDerWaalsContact C-N 3.33Å; V180-I182 PolarHBondContact O-N 3.49Å; I182-A185 PolarHBondContact O-N 3.37Å; I182-R186 HydrophobicContact CG2-CG 4.45Å; I182-R186 WeakPolarHBondContact O-CB 3.34Å; I182-R186 VanDerWaalsContact O-CG 3.31Å; I182-R186 WeakPolarHBondContact O-CG 2.88Å; I182-R186 PolarHBondContact O-N 3.27Å; I182-R251 VanDerWaalsContact CD1-CD 3.42Å; I182-Y253 HydrophobicContact CD1-CD2 4.44Å; I182-Y253 HydrophobicContact CD1-CE2 3.92Å; I182-Y253 HydrophobicContact CG1-CD2 4.47Å; I182-Y253 HydrophobicContact CG1-CE2 4.05Å; I182-Y253 HydrophobicContact CG2-CE1 4.45Å; I182-Y253 HydrophobicContact CG2-CE2 3.98Å; I182-Y253 WeakPolarHBondContact CG2-OH 3.49Å; I182-F279 HydrophobicContact CG1-CE1 4.47Å; I182-F279 HydrophobicContact CG1-CZ 4.38Å |
| 183 | R | 95.3 | Very high | 93.6 | Very high | 157 Ų | 157 | 70.4 Ų | 70.4 | 59% | 0.592 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.5 | -46.7 | 178.5 | -73.6 | 171.4 | -164.1 | -175.4 | 8.1 | 111.5 | E179 V180 L181 A185 R186 A187 | E179-R183 WeakPolarHBondContact O-CB 3.45Å; E179-R183 WeakPolarHBondContact O-CG 3.2Å; E179-R183 PolarHBondContact O-N 2.94Å; E179-R183 IonicContact OE2-CZ 3.71Å; E179-R183 IonicContact OE2-NH2 2.79Å; E179-R183 PolarHBondContact OE2-NH2 3.45Å; V180-R183 PolarHBondContact O-N 3.34Å; V180-R183 VanDerWaalsContact O-N 3.15Å; L181-R183 VanDerWaalsContact C-N 3.35Å; L181-R183 PolarHBondContact O-N 2.87Å; R183-A185 VanDerWaalsContact C-N 3.34Å; R183-R186 PolarHBondContact O-N 2.83Å; R183-A187 PolarHBondContact O-N 3.2Å; R183-A187 VanDerWaalsContact O-N 3.15Å |
| 184 | I | 92.9 | Very high | 93.6 | Very high | 51 Ų | 51 | 71.7 Ų | 71.7 | 26% | 0.262 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 176 | -64.7 | 168.2 | 0 | 0 | 0 | 109.5 | V180 L181 R186 A187 E188 I197 V226 | V180-I184 HydrophobicContact CG1-CD1 3.67Å; V180-I184 HydrophobicContact CG1-CG1 4.29Å; V180-I184 WeakPolarHBondContact O-CG1 3.44Å; V180-I184 PolarHBondContact O-N 3.32Å; L181-I184 PolarHBondContact O-N 2.88Å; I184-R186 VanDerWaalsContact C-N 3.34Å; I184-R186 PolarHBondContact O-N 3.38Å; I184-A187 WeakPolarHBondContact O-CB 3.36Å; I184-A187 PolarHBondContact O-N 3.43Å; I184-A187 VanDerWaalsContact O-N 3.07Å; I184-E188 PolarHBondContact O-N 2.83Å; I184-I197 HydrophobicContact CB-CD1 3.77Å; I184-I197 HydrophobicContact CB-CG1 4.39Å; I184-I197 HydrophobicContact CG2-CD1 3.7Å; I184-I197 HydrophobicContact CG2-CG1 3.77Å; I184-V226 HydrophobicContact CD1-CG2 3.92Å |
| 185 | A | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.9 | -46.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L181 I182 R183 A187 E188 A189 S195 I197 F279 W281 | L181-A185 VanDerWaalsContact O-CB 3.3Å; L181-A185 WeakPolarHBondContact O-CB 3.18Å; L181-A185 PolarHBondContact O-N 3.1Å; I182-A185 PolarHBondContact O-N 3.37Å; R183-A185 VanDerWaalsContact C-N 3.34Å; A185-A187 VanDerWaalsContact C-N 3.31Å; A185-A187 PolarHBondContact O-N 2.78Å; A185-E188 PolarHBondContact O-N 3.42Å; A185-A189 PolarHBondContact O-N 2.93Å; A185-S195 WeakPolarHBondContact O-CB 3.25Å; A185-S195 PolarHBondContact O-OG 2.86Å; A185-I197 HydrophobicContact CB-CD1 3.8Å; A185-F279 HydrophobicContact CB-CB 4.38Å; A185-F279 HydrophobicContact CB-CD1 3.91Å; A185-F279 HydrophobicContact CB-CD2 3.39Å; A185-F279 HydrophobicContact CB-CE1 3.96Å; A185-F279 HydrophobicContact CB-CE2 3.43Å; A185-F279 VanDerWaalsContact CB-CE2 3.43Å; A185-F279 HydrophobicContact CB-CG 3.64Å; A185-F279 HydrophobicContact CB-CZ 3.73Å; A185-W281 HydrophobicContact CB-CH2 4.36Å; A185-W281 HydrophobicContact CB-CZ2 3.76Å; A185-W281 VanDerWaalsContact O-CZ2 3.23Å; A185-W281 WeakPolarHBondContact O-CZ2 3.38Å |
| 186 | R | 94.6 | Very high | 93.4 | Very high | 149 Ų | 149 | 67.2 Ų | 67.2 | 56% | 0.562 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63 | -35.8 | 177.6 | -75.5 | 178.1 | 172.8 | -158.2 | -5.3 | 112.7 | I182 R183 I184 A189 Y253 W281 | I182-R186 HydrophobicContact CG2-CG 4.45Å; I182-R186 WeakPolarHBondContact O-CB 3.34Å; I182-R186 VanDerWaalsContact O-CG 3.31Å; I182-R186 WeakPolarHBondContact O-CG 2.88Å; I182-R186 PolarHBondContact O-N 3.27Å; R183-R186 PolarHBondContact O-N 2.83Å; I184-R186 VanDerWaalsContact C-N 3.34Å; I184-R186 PolarHBondContact O-N 3.38Å; R186-A189 WeakPolarHBondContact O-CB 3.3Å; R186-A189 PolarHBondContact O-N 3.43Å; R186-Y253 PolarHBondContact NE-OH 2.84Å; R186-Y253 PolarHBondContact NH2-OH 3.01Å; R186-W281 HydrophobicContact CB-CH2 4.25Å; R186-W281 HydrophobicContact CG-CH2 3.54Å; R186-W281 HydrophobicContact CG-CZ2 4.47Å; R186-W281 HydrophobicContact CG-CZ3 4.11Å |
| 187 | A | 91.3 | Very high | 93.2 | Very high | 70 Ų | 70 | 62.3 Ų | 62.3 | 58% | 0.579 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -66.6 | -40.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R183 I184 A185 | R183-A187 PolarHBondContact O-N 3.2Å; R183-A187 VanDerWaalsContact O-N 3.15Å; I184-A187 WeakPolarHBondContact O-CB 3.36Å; I184-A187 PolarHBondContact O-N 3.43Å; I184-A187 VanDerWaalsContact O-N 3.07Å; A185-A187 VanDerWaalsContact C-N 3.31Å; A185-A187 PolarHBondContact O-N 2.78Å |
| 188 | E | 89.6 | Confident | 93 | Very high | 75 Ų | 75 | 61.8 Ų | 61.8 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -71.1 | -30.2 | 176 | -73.6 | 179.3 | -159.9 | 0 | 0 | 113.5 | I184 A185 V190 A191 A192 S195 T196 | I184-E188 PolarHBondContact O-N 2.83Å; A185-E188 PolarHBondContact O-N 3.42Å; E188-V190 PolarHBondContact O-N 3.39Å; E188-A191 PolarHBondContact O-N 3.14Å; E188-A192 PolarHBondContact O-N 3.48Å; E188-S195 WeakPolarHBondContact CB-OG 3.48Å; E188-S195 WeakPolarHBondContact OE2-CA 3.33Å; E188-S195 WeakPolarHBondContact OE2-CB 3.33Å; E188-T196 PolarHBondContact OE2-N 2.93Å |
| 189 | A | 90.9 | Very high | 92.8 | Very high | 15 Ų | 15 | 61.7 Ų | 61.7 | 12% | 0.124 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -22.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A185 R186 A191 S195 W281 W282 | A185-A189 PolarHBondContact O-N 2.93Å; R186-A189 WeakPolarHBondContact O-CB 3.3Å; R186-A189 PolarHBondContact O-N 3.43Å; A189-A191 PolarHBondContact O-N 2.91Å; A189-S195 PolarHBondContact N-OG 3.37Å; A189-W281 HydrophobicContact CB-CD2 3.56Å; A189-W281 HydrophobicContact CB-CE3 4.13Å; A189-W281 HydrophobicContact CB-CG 3.91Å; A189-W281 HydrophobicContact CB-CH2 4.28Å; A189-W281 HydrophobicContact CB-CZ2 3.71Å; A189-W281 HydrophobicContact CB-CZ3 4.45Å; A189-W282 WeakPolarHBondContact O-CH2 3.44Å |
| 190 | V | 85.9 | Confident | 92.5 | Very high | 133 Ų | 133 | 57.8 Ų | 57.8 | 81% | 0.806 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -29.6 | 177.2 | -179 | 0 | 0 | 0 | 0 | 111.6 | E188 | E188-V190 PolarHBondContact O-N 3.39Š|
| 191 | A | 87.1 | Confident | 92.2 | Very high | 97 Ų | 97 | 55.1 Ų | 55.1 | 80% | 0.802 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | -19.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E188 A189 | E188-A191 PolarHBondContact O-N 3.14Å; A189-A191 PolarHBondContact O-N 2.91Å |
| 192 | A | 91.5 | Very high | 91.7 | Very high | 41 Ų | 41 | 55.6 Ų | 55.6 | 34% | 0.339 | 29% | 0.288 | S | S | . | . | trans | -146 | 148.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E188 R194 W282 | E188-A192 PolarHBondContact O-N 3.48Å; A192-R194 VanDerWaalsContact CB-O 3.31Å; A192-R194 WeakPolarHBondContact CB-O 3.25Å; A192-R194 PolarHBondContact O-N 2.58Å; A192-W282 WeakPolarHBondContact O-CH2 3.4Å | ||
| 193 | R | 93.3 | Very high | 91 | Very high | 122 Ų | 122 | 60.3 Ų | 60.3 | 46% | 0.46 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -62.3 | -24.4 | 171.5 | -178.1 | -176.4 | 172.6 | 87.3 | 5.6 | 112.6 | W281 W282 | R193-W281 PolarHBondContact O-N 3.31Å; R193-W282 HydrophobicContact CB-CZ2 3.97Å; R193-W282 HydrophobicContact CG-CD2 4.49Å; R193-W282 WeakPolarHBondContact CG-O 3.39Å; R193-W282 PolarHBondContact NE-O 3.45Å; R193-W282 VanDerWaalsContact NE-O 3.14Å; R193-W282 PolarHBondContact NH1-O 3.45Å; R193-W282 PolarHBondContact NH1-OXT 3.2Å; R193-W282 PolarHBondContact NH2-O 3.43Å; R193-W282 PolarHBondContact NH2-OXT 2.93Å |
| 194 | R | 94.3 | Very high | 90.2 | Very high | 158 Ų | 158 | 55.4 Ų | 55.4 | 60% | 0.596 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 133.1 | 179.1 | -67.7 | -178.7 | 174.7 | 169.2 | -0.3 | 110.3 | A192 T278 F279 | A192-R194 VanDerWaalsContact CB-O 3.31Å; A192-R194 WeakPolarHBondContact CB-O 3.25Å; A192-R194 PolarHBondContact O-N 2.58Å; R194-T278 HydrophobicContact CB-CG2 4.14Å; R194-T278 HydrophobicContact CG-CG2 4.33Å; R194-F279 WeakPolarHBondContact CA-O 3.45Å |
| 195 | S | 94.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 135.9 | 170.6 | -51.2 | 0 | 0 | 0 | 0 | 108.5 | A185 E188 A189 T278 F279 W281 | A185-S195 WeakPolarHBondContact O-CB 3.25Å; A185-S195 PolarHBondContact O-OG 2.86Å; E188-S195 WeakPolarHBondContact CB-OG 3.48Å; E188-S195 WeakPolarHBondContact OE2-CA 3.33Å; E188-S195 WeakPolarHBondContact OE2-CB 3.33Å; A189-S195 PolarHBondContact N-OG 3.37Å; S195-T278 CarbonylContact O-C 3.57Å; S195-T278 WeakPolarHBondContact O-CA 3.41Å; S195-F279 PolarHBondContact N-O 3.37Å; S195-F279 VanDerWaalsContact N-O 3.16Å; S195-F279 PolarHBondContact O-N 3.21Å; S195-W281 PolarHBondContact OG-NE1 3.38Å |
| 196 | T | 92.3 | Very high | 88.1 | Confident | 61 Ų | 61 | 67.3 Ų | 67.3 | 37% | 0.374 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 119.5 | -174 | -62.9 | 0 | 0 | 0 | 0 | 109.3 | E188 K276 L277 | E188-T196 PolarHBondContact OE2-N 2.93Å; T196-K276 HydrophobicContact CG2-CD 3.57Å; T196-K276 HydrophobicContact CG2-CG 3.33Å; T196-L277 WeakPolarHBondContact CA-O 3.28Å |
| 197 | I | 92.6 | Very high | 86.9 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.015 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 137.4 | -178.1 | -52.2 | 168 | 0 | 0 | 0 | 108.7 | L181 I184 A185 V226 L277 F279 | L181-I197 HydrophobicContact CD2-CB 4.3Å; L181-I197 HydrophobicContact CD2-CD1 4.32Å; L181-I197 HydrophobicContact CD2-CG2 3.71Å; L181-I197 WeakPolarHBondContact O-CD1 3.44Å; I184-I197 HydrophobicContact CB-CD1 3.77Å; I184-I197 HydrophobicContact CB-CG1 4.39Å; I184-I197 HydrophobicContact CG2-CD1 3.7Å; I184-I197 HydrophobicContact CG2-CG1 3.77Å; A185-I197 HydrophobicContact CB-CD1 3.8Å; I197-V226 HydrophobicContact CG2-CG2 4.3Å; I197-L277 PolarHBondContact N-O 3.28Å; I197-L277 PolarHBondContact O-N 2.85Å; I197-F279 HydrophobicContact CD1-CD2 4.46Å; I197-F279 HydrophobicContact CD1-CE2 4.05Å |
| 198 | L | 91.4 | Very high | 85.8 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 6% | 0.063 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 129.6 | 171.1 | -65.4 | 179.4 | 0 | 0 | 0 | 110 | L218 E223 A225 V226 Y260 H275 K276 | L198-L218 HydrophobicContact CD1-CD2 3.51Å; L198-L218 HydrophobicContact CD1-CG 4.31Å; L198-E223 HydrophobicContact CD1-CB 3.96Å; L198-E223 WeakPolarHBondContact CD1-OE2 3.38Å; L198-A225 HydrophobicContact CB-CB 4.03Å; L198-A225 CarbonylContact O-C 3.53Å; L198-A225 VanDerWaalsContact O-CA 3.24Å; L198-A225 WeakPolarHBondContact O-CA 3.48Å; L198-V226 PolarHBondContact O-N 3.03Å; L198-Y260 HydrophobicContact CD1-CE2 4.33Å; L198-Y260 HydrophobicContact CD2-CD2 3.45Å; L198-Y260 VanDerWaalsContact CD2-CD2 3.45Å; L198-Y260 HydrophobicContact CD2-CE2 3.84Å; L198-Y260 HydrophobicContact CD2-CG 4.08Å; L198-H275 CarbonylContact C-O 3.52Å; L198-H275 WeakPolarHBondContact CA-O 3.49Å; L198-K276 HydrophobicContact CD2-CB 4.36Å |
| 199 | I | 92.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.1 | 168.7 | -57.8 | -179.9 | 0 | 0 | 0 | 106.8 | L181 V201 V226 F228 L241 V244 F274 H275 L277 | L181-I199 HydrophobicContact CD1-CD1 4.28Å; L181-I199 HydrophobicContact CD2-CG1 4.15Å; I199-V201 HydrophobicContact CG2-CG2 3.8Å; I199-V226 CarbonylContact C-O 3.54Å; I199-V226 WeakPolarHBondContact CA-O 3.46Å; I199-F228 HydrophobicContact CG2-CD2 3.62Å; I199-F228 HydrophobicContact CG2-CE2 3.82Å; I199-L241 HydrophobicContact CG2-CD2 4.44Å; I199-V244 HydrophobicContact CD1-CG1 4.19Å; I199-F274 CarbonylContact O-C 3.54Å; I199-F274 WeakPolarHBondContact O-CA 3.22Å; I199-H275 HydrophobicContact CB-CB 4.42Å; I199-H275 PolarHBondContact N-O 3.22Å; I199-H275 PolarHBondContact O-N 2.77Å; I199-L277 HydrophobicContact CD1-CB 3.67Å; I199-L277 HydrophobicContact CD1-CD2 4.02Å; I199-L277 HydrophobicContact CD1-CG 4.31Å; I199-L277 HydrophobicContact CG1-CB 3.96Å |
| 200 | C | 89.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 131.2 | 165.2 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | Y211 V226 T227 F228 F273 F274 | C200-Y211 HydrophobicContact CB-CD2 4.42Å; C200-Y211 HydrophobicContact CB-CE2 3.87Å; C200-Y211 WeakPolarHBondContact SG-CD2 3.44Å; C200-Y211 WeakPolarHBondContact SG-CE2 3.46Å; C200-V226 PolarHBondContact N-O 3.12Å; C200-T227 HydrophobicContact CB-CG2 4.17Å; C200-T227 CarbonylContact O-C 3.55Å; C200-T227 VanDerWaalsContact O-CA 3.32Å; C200-T227 WeakPolarHBondContact O-CA 3.38Å; C200-F228 PolarHBondContact O-N 2.94Å; C200-F273 CarbonylContact C-O 3.6Å; C200-F273 WeakPolarHBondContact CA-O 3.31Å; C200-F274 HydrophobicContact CB-CD1 4.04Å; C200-F274 HydrophobicContact CB-CE1 3.76Å; C200-F274 HydrophobicContact CB-CZ 4.41Å |
| 201 | V | 89.9 | Confident | 82.8 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 108.1 | 177.6 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | I199 W231 V237 L240 L241 F273 | I199-V201 HydrophobicContact CG2-CG2 3.8Å; V201-W231 HydrophobicContact CG1-CH2 3.29Å; V201-W231 HydrophobicContact CG1-CZ3 3.42Å; V201-W231 VanDerWaalsContact CG1-CZ3 3.42Å; V201-V237 HydrophobicContact CB-CG1 4.05Å; V201-V237 HydrophobicContact CG1-CB 4.28Å; V201-V237 HydrophobicContact CG1-CG1 3.85Å; V201-V237 HydrophobicContact CG1-CG2 3.92Å; V201-V237 HydrophobicContact CG2-CG1 4.4Å; V201-L240 HydrophobicContact CG1-CD2 3.69Å; V201-L240 HydrophobicContact CG2-CD2 4.4Å; V201-L241 HydrophobicContact CG2-CD2 3.84Å; V201-F273 PolarHBondContact N-O 2.95Å |
| 202 | M | 85.6 | Confident | 81.9 | Confident | 10 Ų | 10 | 60.4 Ų | 60.4 | 5% | 0.049 | 30% | 0.296 | C | S | . | . | trans | -101.1 | 118.5 | 175.8 | -66 | -172.5 | -67.3 | 0 | 0 | 109.1 | L208 Y211 T227 F228 G229 P230 W231 | M202-L208 HydrophobicContact SD-CG 4.32Å; M202-Y211 HydrophobicContact CE-CD1 4.48Å; M202-Y211 HydrophobicContact CE-CD2 4.4Å; M202-Y211 HydrophobicContact CE-CE2 4.42Å; M202-Y211 HydrophobicContact CE-CG 4.4Å; M202-Y211 HydrophobicContact CG-CD2 4.14Å; M202-Y211 HydrophobicContact CG-CG 4.45Å; M202-Y211 VanDerWaalsContact SD-CB 3.58Å; M202-Y211 HydrophobicContact SD-CD1 3.95Å; M202-Y211 HydrophobicContact SD-CD2 3.62Å; M202-Y211 HydrophobicContact SD-CE2 4.22Å; M202-Y211 HydrophobicContact SD-CG 3.44Å; M202-T227 HydrophobicContact CE-CG2 3.31Å; M202-T227 HydrophobicContact CG-CG2 4.45Å; M202-T227 HydrophobicContact SD-CG2 4.46Å; M202-F228 PolarHBondContact N-O 3.03Å; M202-G229 WeakPolarHBondContact O-CA 3.38Å; M202-P230 VanDerWaalsContact O-CA 3.31Å; M202-P230 WeakPolarHBondContact O-CA 3.36Å; M202-W231 WeakPolarHBondContact O-CZ3 3.34Å | ||
| 203 | R | 82.2 | Confident | 80.8 | Confident | 110 Ų | 110 | 63.5 Ų | 63.5 | 42% | 0.415 | 31% | 0.307 | S | S | . | . | trans | -81.8 | -50.3 | 177.2 | -170.2 | -179.5 | -176.2 | -162.4 | 1.9 | 110 | D207 W231 | R203-D207 PolarHBondContact N-OD2 2.71Å; R203-W231 HydrophobicContact CB-CH2 4.42Å; R203-W231 HydrophobicContact CG-CZ2 4.22Å; R203-W231 PolarHBondContact O-N 2.7Å; R203-W231 VanDerWaalsContact O-N 3.17Å | ||
| 204 | T | 78.5 | Confident | 79.6 | Confident | 55 Ų | 55 | 58.2 Ų | 58.2 | 34% | 0.337 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -115.1 | 164 | -170.6 | 72 | 0 | 0 | 0 | 0 | 112.3 | D206 D207 | T204-D206 PolarHBondContact O-N 2.87Å; T204-D206 PolarHBondContact OG1-N 3.22Å; T204-D207 PolarHBondContact N-OD2 3.42Å; T204-D207 WeakPolarHBondContact O-CB 3.5Å; T204-D207 PolarHBondContact O-N 2.77Å; T204-D207 PolarHBondContact OG1-N 3.04Å; T204-D207 PolarHBondContact OG1-OD1 2.91Å; T204-D207 PolarHBondContact OG1-OD2 3.17Å |
| 205 | K | 72.7 | Confident | 78.4 | Confident | 166 Ų | 166 | 51.9 Ų | 51.9 | 72% | 0.722 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -71 | -18.5 | 172.5 | -69.6 | -172.4 | 177.5 | -175.7 | 0 | 112.8 | L208 P230 | K205-L208 WeakPolarHBondContact O-CB 3.31Å; K205-L208 PolarHBondContact O-N 3.12Å; K205-P230 HydrophobicContact CG-CB 4.41Å; K205-P230 HydrophobicContact CG-CG 4.12Å |
| 206 | D | 70.6 | Confident | 77.1 | Confident | 135 Ų | 135 | 56.5 Ų | 56.5 | 72% | 0.722 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -24.2 | 177.3 | -57.8 | -29.8 | 0 | 0 | 0 | 110.7 | T204 L208 | T204-D206 PolarHBondContact O-N 2.87Å; T204-D206 PolarHBondContact OG1-N 3.22Å; D206-L208 PolarHBondContact O-N 3.49Å |
| 207 | D | 69.3 | Low | 75.9 | Confident | 28 Ų | 28 | 56.7 Ų | 56.7 | 15% | 0.15 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -16.9 | 176 | -56.6 | -38.3 | 0 | 0 | 0 | 112.9 | R203 T204 G209 F210 Y211 F273 | R203-D207 PolarHBondContact N-OD2 2.71Å; T204-D207 PolarHBondContact N-OD2 3.42Å; T204-D207 WeakPolarHBondContact O-CB 3.5Å; T204-D207 PolarHBondContact O-N 2.77Å; T204-D207 PolarHBondContact OG1-N 3.04Å; T204-D207 PolarHBondContact OG1-OD1 2.91Å; T204-D207 PolarHBondContact OG1-OD2 3.17Å; D207-G209 VanDerWaalsContact C-N 3.34Å; D207-G209 PolarHBondContact O-N 3.15Å; D207-F210 PolarHBondContact O-N 3.23Å; D207-Y211 WeakPolarHBondContact O-CB 3.13Å; D207-Y211 PolarHBondContact O-N 3.37Å; D207-F273 HydrophobicContact CB-CD1 4.41Å; D207-F273 HydrophobicContact CB-CE1 3.83Å; D207-F273 HydrophobicContact CB-CZ 4.38Å |
| 208 | L | 68.2 | Low | 74.7 | Confident | 67 Ų | 67 | 57 Ų | 57 | 35% | 0.351 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.6 | -38.4 | -178.3 | -113.5 | 132.9 | 0 | 0 | 0 | 112.8 | M202 K205 D206 F210 Y211 D212 P230 | M202-L208 HydrophobicContact SD-CG 4.32Å; K205-L208 WeakPolarHBondContact O-CB 3.31Å; K205-L208 PolarHBondContact O-N 3.12Å; D206-L208 PolarHBondContact O-N 3.49Å; L208-F210 VanDerWaalsContact C-N 3.3Å; L208-F210 PolarHBondContact O-N 3.35Å; L208-Y211 WeakPolarHBondContact O-CB 3.33Å; L208-Y211 PolarHBondContact O-N 2.84Å; L208-D212 PolarHBondContact O-N 3.28Å; L208-P230 HydrophobicContact CD1-CG 4.4Å |
| 209 | G | 66.4 | Low | 73.2 | Confident | 42 Ų | 42 | 62.6 Ų | 62.6 | 43% | 0.433 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.1 | -29.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D207 N213 | D207-G209 VanDerWaalsContact C-N 3.34Å; D207-G209 PolarHBondContact O-N 3.15Å; G209-N213 PolarHBondContact O-ND2 2.85Å |
| 210 | F | 67.3 | Low | 71.6 | Confident | 128 Ų | 128 | 67 Ų | 67 | 56% | 0.561 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -79 | -35.7 | 173.1 | -63.6 | -75.6 | 0 | 0 | 0 | 111.2 | D207 L208 N213 A214 F273 | D207-F210 PolarHBondContact O-N 3.23Å; L208-F210 VanDerWaalsContact C-N 3.3Å; L208-F210 PolarHBondContact O-N 3.35Å; F210-N213 PolarHBondContact O-N 3.07Å; F210-A214 WeakPolarHBondContact O-CB 3.13Å; F210-A214 PolarHBondContact O-N 3.04Å; F210-F273 HydrophobicContact CB-CE2 4.27Å |
| 211 | Y | 69.1 | Low | 70.3 | Confident | 45 Ų | 45 | 69.3 Ų | 69.3 | 18% | 0.176 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.5 | -51.3 | 174.1 | 174.7 | -98.8 | 0 | 0 | 0 | 112.1 | C200 M202 D207 L208 N213 A214 V215 T227 | C200-Y211 HydrophobicContact CB-CD2 4.42Å; C200-Y211 HydrophobicContact CB-CE2 3.87Å; C200-Y211 WeakPolarHBondContact SG-CD2 3.44Å; C200-Y211 WeakPolarHBondContact SG-CE2 3.46Å; M202-Y211 HydrophobicContact CE-CD1 4.48Å; M202-Y211 HydrophobicContact CE-CD2 4.4Å; M202-Y211 HydrophobicContact CE-CE2 4.42Å; M202-Y211 HydrophobicContact CE-CG 4.4Å; M202-Y211 HydrophobicContact CG-CD2 4.14Å; M202-Y211 HydrophobicContact CG-CG 4.45Å; M202-Y211 VanDerWaalsContact SD-CB 3.58Å; M202-Y211 HydrophobicContact SD-CD1 3.95Å; M202-Y211 HydrophobicContact SD-CD2 3.62Å; M202-Y211 HydrophobicContact SD-CE2 4.22Å; M202-Y211 HydrophobicContact SD-CG 3.44Å; D207-Y211 WeakPolarHBondContact O-CB 3.13Å; D207-Y211 PolarHBondContact O-N 3.37Å; L208-Y211 WeakPolarHBondContact O-CB 3.33Å; L208-Y211 PolarHBondContact O-N 2.84Å; Y211-N213 PolarHBondContact O-N 3.32Å; Y211-A214 CarbonylContact O-C 3.59Å; Y211-A214 PolarHBondContact O-N 2.88Å; Y211-V215 HydrophobicContact CD1-CG2 3.86Å; Y211-V215 HydrophobicContact CD2-CG2 3.69Å; Y211-V215 HydrophobicContact CE1-CB 4.49Å; Y211-V215 HydrophobicContact CE1-CG2 3.53Å; Y211-V215 HydrophobicContact CE2-CG2 3.34Å; Y211-V215 HydrophobicContact CG-CG2 3.95Å; Y211-V215 WeakPolarHBondContact O-CB 3.37Å; Y211-V215 WeakPolarHBondContact O-CG2 3.4Å; Y211-V215 PolarHBondContact O-N 3.49Å; Y211-T227 HydrophobicContact CE2-CG2 3.95Å; Y211-T227 PolarHBondContact OH-OG1 3.37Å |
| 212 | D | 68.7 | Low | 68.8 | Low | 83 Ų | 83 | 78.3 Ų | 78.3 | 44% | 0.444 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -57.2 | -40.7 | -178.2 | -73.1 | -17.9 | 0 | 0 | 0 | 111.6 | L208 N216 | L208-D212 PolarHBondContact O-N 3.28Å; D212-N216 WeakPolarHBondContact O-CB 3.46Å; D212-N216 PolarHBondContact O-N 3.33Å; D212-N216 PolarHBondContact O-ND2 2.89Å |
| 213 | N | 68.7 | Low | 67.9 | Low | 107 Ų | 107 | 81.9 Ų | 81.9 | 57% | 0.572 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -66.7 | -40.5 | 176.3 | -70.9 | -45.7 | 0 | 0 | 0 | 112.9 | G209 F210 Y211 S217 | G209-N213 PolarHBondContact O-ND2 2.85Å; F210-N213 PolarHBondContact O-N 3.07Å; Y211-N213 PolarHBondContact O-N 3.32Å; N213-S217 PolarHBondContact O-N 3.33Å; N213-S217 PolarHBondContact O-OG 3.43Å |
| 214 | A | 66.8 | Low | 67.3 | Low | 11 Ų | 11 | 81.2 Ų | 81.2 | 9% | 0.091 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -71.1 | -43.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F210 Y211 N216 S217 L218 Y271 F274 | F210-A214 WeakPolarHBondContact O-CB 3.13Å; F210-A214 PolarHBondContact O-N 3.04Å; Y211-A214 CarbonylContact O-C 3.59Å; Y211-A214 PolarHBondContact O-N 2.88Å; A214-N216 PolarHBondContact O-N 2.84Å; A214-S217 WeakPolarHBondContact O-CA 3.27Å; A214-S217 VanDerWaalsContact O-CB 3.28Å; A214-S217 WeakPolarHBondContact O-CB 3.34Å; A214-S217 PolarHBondContact O-N 3.16Å; A214-L218 WeakPolarHBondContact O-CD1 3.35Å; A214-L218 PolarHBondContact O-N 2.89Å; A214-Y271 HydrophobicContact CB-CD1 4.23Å; A214-Y271 HydrophobicContact CB-CE1 3.97Å; A214-F274 HydrophobicContact CB-CE2 3.49Å; A214-F274 VanDerWaalsContact CB-CE2 3.49Å; A214-F274 HydrophobicContact CB-CZ 3.89Å |
| 215 | V | 69.1 | Low | 67.6 | Low | 24 Ų | 24 | 80.2 Ų | 80.2 | 15% | 0.145 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 177.1 | 172 | 0 | 0 | 0 | 0 | 111.4 | Y211 S217 L218 E219 | Y211-V215 HydrophobicContact CD1-CG2 3.86Å; Y211-V215 HydrophobicContact CD2-CG2 3.69Å; Y211-V215 HydrophobicContact CE1-CB 4.49Å; Y211-V215 HydrophobicContact CE1-CG2 3.53Å; Y211-V215 HydrophobicContact CE2-CG2 3.34Å; Y211-V215 HydrophobicContact CG-CG2 3.95Å; Y211-V215 WeakPolarHBondContact O-CB 3.37Å; Y211-V215 WeakPolarHBondContact O-CG2 3.4Å; Y211-V215 PolarHBondContact O-N 3.49Å; V215-S217 PolarHBondContact O-N 3.04Å; V215-S217 VanDerWaalsContact O-N 3.15Å; V215-L218 PolarHBondContact O-N 3.11Å; V215-E219 HydrophobicContact CG1-CG 4.07Å; V215-E219 WeakPolarHBondContact O-CG 3.36Å; V215-E219 PolarHBondContact O-N 3.39Å |
| 216 | N | 68.4 | Low | 68.4 | Low | 98 Ų | 98 | 72.8 Ų | 72.8 | 52% | 0.524 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -56.5 | -32.4 | 174 | -72.8 | -30.3 | 0 | 0 | 0 | 112.1 | D212 A214 A220 | D212-N216 WeakPolarHBondContact O-CB 3.46Å; D212-N216 PolarHBondContact O-N 3.33Å; D212-N216 PolarHBondContact O-ND2 2.89Å; A214-N216 PolarHBondContact O-N 2.84Å; N216-A220 PolarHBondContact O-N 2.89Å |
| 217 | S | 65.6 | Low | 69.3 | Low | 65 Ų | 65 | 67.9 Ų | 67.9 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -75.7 | -36.3 | 176 | -54.8 | 0 | 0 | 0 | 0 | 112.6 | N213 A214 V215 G221 | N213-S217 PolarHBondContact O-N 3.33Å; N213-S217 PolarHBondContact O-OG 3.43Å; A214-S217 WeakPolarHBondContact O-CA 3.27Å; A214-S217 VanDerWaalsContact O-CB 3.28Å; A214-S217 WeakPolarHBondContact O-CB 3.34Å; A214-S217 PolarHBondContact O-N 3.16Å; V215-S217 PolarHBondContact O-N 3.04Å; V215-S217 VanDerWaalsContact O-N 3.15Å; S217-G221 PolarHBondContact O-N 3.12Å |
| 218 | L | 67.8 | Low | 70.4 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 5% | 0.047 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -69.8 | -41.3 | 174 | -88.1 | 79.6 | 0 | 0 | 0 | 112.5 | L198 A214 V215 A220 G221 K222 E223 A225 F274 | L198-L218 HydrophobicContact CD1-CD2 3.51Å; L198-L218 HydrophobicContact CD1-CG 4.31Å; A214-L218 WeakPolarHBondContact O-CD1 3.35Å; A214-L218 PolarHBondContact O-N 2.89Å; V215-L218 PolarHBondContact O-N 3.11Å; L218-A220 VanDerWaalsContact C-N 3.27Å; L218-A220 PolarHBondContact O-N 3.16Å; L218-G221 CarbonylContact O-C 3.54Å; L218-G221 VanDerWaalsContact O-CA 3.27Å; L218-G221 WeakPolarHBondContact O-CA 3.22Å; L218-G221 PolarHBondContact O-N 3.02Å; L218-K222 PolarHBondContact O-N 3.04Å; L218-K222 VanDerWaalsContact O-N 3.08Å; L218-E223 HydrophobicContact CB-CB 4.43Å; L218-E223 HydrophobicContact CD2-CB 4.41Å; L218-E223 HydrophobicContact CG-CB 4.41Å; L218-E223 PolarHBondContact O-N 3.24Å; L218-E223 VanDerWaalsContact O-N 3.11Å; L218-A225 HydrophobicContact CD2-CB 4.09Å; L218-F274 HydrophobicContact CD1-CE1 4.07Å; L218-F274 HydrophobicContact CD1-CE2 4.3Å; L218-F274 HydrophobicContact CD1-CZ 3.9Å; L218-F274 HydrophobicContact CD2-CD1 4.01Å; L218-F274 HydrophobicContact CD2-CE1 3.59Å; L218-F274 HydrophobicContact CD2-CZ 4.23Å |
| 219 | E | 59.9 | Low | 71.4 | Confident | 129 Ų | 129 | 64 Ų | 64 | 60% | 0.603 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.6 | -38.2 | 178.2 | -75.6 | -171.1 | 169.6 | 0 | 0 | 111.2 | V215 G221 K222 | V215-E219 HydrophobicContact CG1-CG 4.07Å; V215-E219 WeakPolarHBondContact O-CG 3.36Å; V215-E219 PolarHBondContact O-N 3.39Å; E219-G221 PolarHBondContact O-N 3.4Å; E219-K222 PolarHBondContact O-N 3.44Å; E219-K222 VanDerWaalsContact O-N 3.12Å |
| 220 | A | 60.1 | Low | 72.4 | Confident | 92 Ų | 92 | 63.8 Ų | 63.8 | 76% | 0.76 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.5 | -28.2 | 171 | 0 | 0 | 0 | 0 | 0 | 112.8 | N216 L218 | N216-A220 PolarHBondContact O-N 2.89Å; L218-A220 VanDerWaalsContact C-N 3.27Å; L218-A220 PolarHBondContact O-N 3.16Å |
| 221 | G | 60.5 | Low | 73.3 | Confident | 49 Ų | 49 | 58.2 Ų | 58.2 | 51% | 0.505 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -3.2 | 175 | 0 | 0 | 0 | 0 | 0 | 115.5 | S217 L218 E219 E223 | S217-G221 PolarHBondContact O-N 3.12Å; L218-G221 CarbonylContact O-C 3.54Å; L218-G221 VanDerWaalsContact O-CA 3.27Å; L218-G221 WeakPolarHBondContact O-CA 3.22Å; L218-G221 PolarHBondContact O-N 3.02Å; E219-G221 PolarHBondContact O-N 3.4Å; G221-E223 PolarHBondContact O-N 2.79Å |
| 222 | K | 60.3 | Low | 73.9 | Confident | 192 Ų | 192 | 65.8 Ų | 65.8 | 84% | 0.835 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 22 | -170.2 | -57.2 | -180 | 179.3 | 175.7 | 0 | 114.7 | L218 E219 | L218-K222 PolarHBondContact O-N 3.04Å; L218-K222 VanDerWaalsContact O-N 3.08Å; E219-K222 PolarHBondContact O-N 3.44Å; E219-K222 VanDerWaalsContact O-N 3.12Å |
| 223 | E | 65.9 | Low | 74.4 | Confident | 85 Ų | 85 | 62.5 Ų | 62.5 | 40% | 0.397 | 36% | 0.36 | S | S | . | . | trans | -88.2 | 119.3 | 175.7 | -63.8 | -177 | 161.8 | 0 | 0 | 109 | L198 L218 G221 Y260 | L198-E223 HydrophobicContact CD1-CB 3.96Å; L198-E223 WeakPolarHBondContact CD1-OE2 3.38Å; L218-E223 HydrophobicContact CB-CB 4.43Å; L218-E223 HydrophobicContact CD2-CB 4.41Å; L218-E223 HydrophobicContact CG-CB 4.41Å; L218-E223 PolarHBondContact O-N 3.24Å; L218-E223 VanDerWaalsContact O-N 3.11Å; G221-E223 PolarHBondContact O-N 2.79Å; E223-Y260 PolarHBondContact OE2-OH 2.94Å | ||
| 224 | S | 69.1 | Low | 75.2 | Confident | 96 Ų | 96 | 65.5 Ų | 65.5 | 67% | 0.671 | 37% | 0.371 | S | S | * | . | trans | -89.5 | 131.8 | 174.2 | -62.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 225 | A | 84.1 | Confident | 76.3 | Confident | 34 Ų | 34 | 66.7 Ų | 66.7 | 28% | 0.281 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 143.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L198 L218 F274 | L198-A225 HydrophobicContact CB-CB 4.03Å; L198-A225 CarbonylContact O-C 3.53Å; L198-A225 VanDerWaalsContact O-CA 3.24Å; L198-A225 WeakPolarHBondContact O-CA 3.48Å; L218-A225 HydrophobicContact CD2-CB 4.09Å; A225-F274 HydrophobicContact CB-CE1 4.14Å |
| 226 | V | 89.9 | Confident | 77.3 | Confident | 10 Ų | 10 | 67.7 Ų | 67.7 | 6% | 0.061 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 126.4 | 170.7 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | N177 V180 L181 I184 I197 L198 I199 C200 F228 | N177-V226 HydrophobicContact CB-CG1 3.86Å; V180-V226 HydrophobicContact CG1-CG2 3.84Å; L181-V226 HydrophobicContact CD2-CB 3.68Å; L181-V226 HydrophobicContact CD2-CG1 4.16Å; L181-V226 HydrophobicContact CD2-CG2 3.61Å; L181-V226 HydrophobicContact CG-CB 4.2Å; L181-V226 HydrophobicContact CG-CG1 4.11Å; L181-V226 HydrophobicContact CG-CG2 4.2Å; I184-V226 HydrophobicContact CD1-CG2 3.92Å; I197-V226 HydrophobicContact CG2-CG2 4.3Å; L198-V226 PolarHBondContact O-N 3.03Å; I199-V226 CarbonylContact C-O 3.54Å; I199-V226 WeakPolarHBondContact CA-O 3.46Å; C200-V226 PolarHBondContact N-O 3.12Å; V226-F228 HydrophobicContact CG1-CE2 4.3Å |
| 227 | T | 90.8 | Very high | 78.4 | Confident | 31 Ų | 31 | 65 Ų | 65 | 19% | 0.19 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 128 | -167.6 | -56.9 | 0 | 0 | 0 | 0 | 112.2 | N177 C200 M202 Y211 | N177-T227 PolarHBondContact ND2-O 2.9Å; C200-T227 HydrophobicContact CB-CG2 4.17Å; C200-T227 CarbonylContact O-C 3.55Å; C200-T227 VanDerWaalsContact O-CA 3.32Å; C200-T227 WeakPolarHBondContact O-CA 3.38Å; M202-T227 HydrophobicContact CE-CG2 3.31Å; M202-T227 HydrophobicContact CG-CG2 4.45Å; M202-T227 HydrophobicContact SD-CG2 4.46Å; Y211-T227 HydrophobicContact CE2-CG2 3.95Å; Y211-T227 PolarHBondContact OH-OG1 3.37Å |
| 228 | F | 91.8 | Very high | 79.7 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 135.5 | 170.5 | -65.3 | -97.1 | 0 | 0 | 0 | 110.7 | V171 Y174 N177 I178 L181 I199 C200 M202 V226 L240 V244 | V171-F228 HydrophobicContact CG1-CB 4.41Å; V171-F228 HydrophobicContact CG1-CD1 4.17Å; Y174-F228 AromaticContact CD2-CD1 3.82Å; Y174-F228 HydrophobicContact CD2-CD1 3.82Å; Y174-F228 AromaticContact CD2-CE1 3.59Å; Y174-F228 HydrophobicContact CD2-CE1 3.59Å; Y174-F228 HydrophobicContact CE2-CD1 4.39Å; Y174-F228 AromaticContact CE2-CE1 3.95Å; Y174-F228 HydrophobicContact CE2-CE1 3.95Å; Y174-F228 HydrophobicContact CG-CE1 4.4Å; N177-F228 HydrophobicContact CB-CD1 4.16Å; N177-F228 HydrophobicContact CB-CE1 3.5Å; N177-F228 HydrophobicContact CB-CE2 4.18Å; N177-F228 HydrophobicContact CB-CZ 3.53Å; I178-F228 HydrophobicContact CD1-CZ 4.31Å; L181-F228 HydrophobicContact CD1-CE2 3.99Å; L181-F228 HydrophobicContact CD1-CZ 3.94Å; I199-F228 HydrophobicContact CG2-CD2 3.62Å; I199-F228 HydrophobicContact CG2-CE2 3.82Å; C200-F228 PolarHBondContact O-N 2.94Å; M202-F228 PolarHBondContact N-O 3.03Å; V226-F228 HydrophobicContact CG1-CE2 4.3Å; F228-L240 HydrophobicContact CB-CD2 3.66Å; F228-L240 HydrophobicContact CG-CD2 4.21Å; F228-V244 HydrophobicContact CE1-CG2 3.97Å; F228-V244 HydrophobicContact CE2-CG2 4.18Å; F228-V244 HydrophobicContact CZ-CG2 3.74Å |
| 229 | G | 88.2 | Confident | 80.9 | Confident | 13 Ų | 13 | 73.9 Ų | 73.9 | 13% | 0.134 | 40% | 0.401 | C | S | . | . | trans | 97.2 | -172.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | M202 | M202-G229 WeakPolarHBondContact O-CA 3.38Š| ||
| 230 | P | 88.3 | Confident | 82.6 | Confident | 38 Ų | 38 | 67.7 Ų | 67.7 | 25% | 0.247 | 37% | 0.372 | C | S | . | . | cis | -68.3 | 150.5 | -0.6 | 29 | -34.9 | 0 | 0 | 0 | 113.3 | P172 M202 K205 L208 | P172-P230 WeakPolarHBondContact CG-O 3.36Å; M202-P230 VanDerWaalsContact O-CA 3.31Å; M202-P230 WeakPolarHBondContact O-CA 3.36Å; K205-P230 HydrophobicContact CG-CB 4.41Å; K205-P230 HydrophobicContact CG-CG 4.12Å; L208-P230 HydrophobicContact CD1-CG 4.4Å | ||
| 231 | W | 86.4 | Confident | 84.2 | Confident | 11 Ų | 11 | 64.1 Ų | 64.1 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | trans | -133.8 | 147.8 | 174 | 75.4 | 91.5 | 0 | 0 | 0 | 111.7 | F167 V171 V201 M202 R203 P235 V237 L240 | F167-W231 AromaticContact CE2-CD1 3.72Å; F167-W231 HydrophobicContact CE2-CG 4.38Å; F167-W231 AromaticContact CE2-NE1 3.53Å; V171-W231 HydrophobicContact CG2-CB 4.44Å; V171-W231 HydrophobicContact CG2-CG 4.36Å; V201-W231 HydrophobicContact CG1-CH2 3.29Å; V201-W231 HydrophobicContact CG1-CZ3 3.42Å; V201-W231 VanDerWaalsContact CG1-CZ3 3.42Å; M202-W231 WeakPolarHBondContact O-CZ3 3.34Å; R203-W231 HydrophobicContact CB-CH2 4.42Å; R203-W231 HydrophobicContact CG-CZ2 4.22Å; R203-W231 PolarHBondContact O-N 2.7Å; R203-W231 VanDerWaalsContact O-N 3.17Å; W231-P235 PolarHBondContact NE1-O 3.47Å; W231-V237 HydrophobicContact CH2-CG2 4.2Å; W231-L240 HydrophobicContact CE3-CD2 4.34Å; W231-L240 HydrophobicContact CH2-CB 4.41Å; W231-L240 HydrophobicContact CH2-CD2 3.67Å; W231-L240 HydrophobicContact CZ2-CD2 4.41Å; W231-L240 HydrophobicContact CZ3-CD2 3.64Å | ||
| 232 | K | 81.3 | Confident | 85.9 | Confident | 205 Ų | 205 | 65.6 Ų | 65.6 | 89% | 0.891 | 34% | 0.336 | S | S | * | . | trans | -110.6 | 85.1 | 176.5 | -167.1 | 174.7 | -179.1 | 178.1 | 0 | 109.9 | ||||
| 233 | A | 80 | Confident | 87.6 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 11% | 0.107 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -147.8 | 162.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F167 | F167-A233 HydrophobicContact CD2-CB 4.16Å; F167-A233 HydrophobicContact CE2-CB 4.44Å |
| 234 | E | 85.5 | Confident | 89.1 | Confident | 171 Ų | 171 | 52.9 Ų | 52.9 | 80% | 0.799 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -61.1 | -41.5 | 176.8 | -71.2 | -60.6 | 118.2 | 0 | 0 | 114.1 | S236 | E234-S236 PolarHBondContact O-N 2.79Š|
| 235 | P | 88.4 | Confident | 90.4 | Very high | 36 Ų | 36 | 51.9 Ų | 51.9 | 23% | 0.234 | 26% | 0.264 | C | S | . | . | trans | -56.5 | 140.7 | -178.3 | -28.2 | 37.8 | 0 | 0 | 0 | 113.4 | F167 W231 D239 | F167-P235 HydrophobicContact CB-CG 4.09Å; F167-P235 HydrophobicContact CD1-CB 4.02Å; F167-P235 HydrophobicContact CD1-CG 4.18Å; F167-P235 HydrophobicContact CD2-CB 3.78Å; F167-P235 HydrophobicContact CD2-CG 3.6Å; F167-P235 HydrophobicContact CE1-CB 3.93Å; F167-P235 HydrophobicContact CE2-CB 3.72Å; F167-P235 HydrophobicContact CE2-CG 4.07Å; F167-P235 HydrophobicContact CG-CB 3.94Å; F167-P235 HydrophobicContact CG-CG 3.68Å; F167-P235 HydrophobicContact CZ-CB 3.79Å; W231-P235 PolarHBondContact NE1-O 3.47Å; P235-D239 HydrophobicContact CB-CB 3.94Å | ||
| 236 | S | 91.4 | Very high | 90.9 | Very high | 45 Ų | 45 | 54.7 Ų | 54.7 | 32% | 0.315 | 27% | 0.273 | S | S | . | . | trans | -80.4 | 171.6 | -175.8 | 73.7 | 0 | 0 | 0 | 0 | 112.8 | E234 R238 D239 L240 | E234-S236 PolarHBondContact O-N 2.79Å; S236-R238 PolarHBondContact O-N 3.4Å; S236-R238 PolarHBondContact OG-N 2.75Å; S236-D239 WeakPolarHBondContact CA-OD2 3.34Å; S236-D239 VanDerWaalsContact CB-OD2 3.28Å; S236-D239 WeakPolarHBondContact CB-OD2 3.43Å; S236-D239 PolarHBondContact N-OD2 3.01Å; S236-D239 PolarHBondContact O-N 2.82Å; S236-D239 VanDerWaalsContact OG-CG 3.27Å; S236-D239 PolarHBondContact OG-N 3.11Å; S236-D239 PolarHBondContact OG-OD2 3.32Å; S236-L240 PolarHBondContact O-N 3.29Å | ||
| 237 | V | 91 | Very high | 91.2 | Very high | 42 Ų | 42 | 55.5 Ų | 55.5 | 26% | 0.255 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.4 | -40.1 | 170.9 | 171 | 0 | 0 | 0 | 0 | 110.9 | V201 W231 D239 L240 L241 H275 | V201-V237 HydrophobicContact CB-CG1 4.05Å; V201-V237 HydrophobicContact CG1-CB 4.28Å; V201-V237 HydrophobicContact CG1-CG1 3.85Å; V201-V237 HydrophobicContact CG1-CG2 3.92Å; V201-V237 HydrophobicContact CG2-CG1 4.4Å; W231-V237 HydrophobicContact CH2-CG2 4.2Å; V237-D239 PolarHBondContact O-N 2.75Å; V237-L240 PolarHBondContact O-N 3.18Å; V237-L241 HydrophobicContact CG1-CD1 4.03Å; V237-L241 HydrophobicContact CG1-CG 4.37Å; V237-L241 WeakPolarHBondContact O-CG 3.3Å; V237-L241 PolarHBondContact O-N 3.37Å; V237-H275 WeakPolarHBondContact CG1-NE2 3.22Å |
| 238 | R | 92.2 | Very high | 91.6 | Very high | 188 Ų | 188 | 54 Ų | 54 | 71% | 0.709 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.4 | -44.9 | 178 | -178.6 | 175.3 | -71.3 | -178.1 | -2.5 | 111.4 | S236 L240 L241 D242 | S236-R238 PolarHBondContact O-N 3.4Å; S236-R238 PolarHBondContact OG-N 2.75Å; R238-L240 VanDerWaalsContact C-N 3.26Å; R238-L240 PolarHBondContact O-N 3.34Å; R238-L241 PolarHBondContact O-N 3.5Å; R238-L241 VanDerWaalsContact O-N 3.11Å; R238-D242 PolarHBondContact O-N 2.64Å |
| 239 | D | 93.4 | Very high | 91.8 | Very high | 71 Ų | 71 | 57.6 Ų | 57.6 | 38% | 0.38 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.3 | -38.8 | 179 | -56.9 | -53.6 | 0 | 0 | 0 | 111.4 | P235 S236 V237 C243 | P235-D239 HydrophobicContact CB-CB 3.94Å; S236-D239 WeakPolarHBondContact CA-OD2 3.34Å; S236-D239 VanDerWaalsContact CB-OD2 3.28Å; S236-D239 WeakPolarHBondContact CB-OD2 3.43Å; S236-D239 PolarHBondContact N-OD2 3.01Å; S236-D239 PolarHBondContact O-N 2.82Å; S236-D239 VanDerWaalsContact OG-CG 3.27Å; S236-D239 PolarHBondContact OG-N 3.11Å; S236-D239 PolarHBondContact OG-OD2 3.32Å; V237-D239 PolarHBondContact O-N 2.75Å; D239-C243 PolarHBondContact O-N 3.24Å; D239-C243 PolarHBondContact O-SG 3.08Å |
| 240 | L | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65 | -46.4 | 173.8 | -179.9 | 64 | 0 | 0 | 0 | 112.3 | F167 L168 V171 Y174 V201 F228 W231 S236 V237 R238 D242 C243 V244 | F167-L240 HydrophobicContact CE1-CB 4.21Å; F167-L240 HydrophobicContact CE1-CD1 4.2Å; F167-L240 HydrophobicContact CZ-CB 4.02Å; F167-L240 HydrophobicContact CZ-CD1 4.13Å; L168-L240 HydrophobicContact CD2-CD1 4.37Å; V171-L240 HydrophobicContact CG1-CD1 4.15Å; V171-L240 HydrophobicContact CG2-CD1 4.13Å; Y174-L240 HydrophobicContact CD2-CD1 4.02Å; Y174-L240 HydrophobicContact CE2-CD1 3.82Å; V201-L240 HydrophobicContact CG1-CD2 3.69Å; V201-L240 HydrophobicContact CG2-CD2 4.4Å; F228-L240 HydrophobicContact CB-CD2 3.66Å; F228-L240 HydrophobicContact CG-CD2 4.21Å; W231-L240 HydrophobicContact CE3-CD2 4.34Å; W231-L240 HydrophobicContact CH2-CB 4.41Å; W231-L240 HydrophobicContact CH2-CD2 3.67Å; W231-L240 HydrophobicContact CZ2-CD2 4.41Å; W231-L240 HydrophobicContact CZ3-CD2 3.64Å; S236-L240 PolarHBondContact O-N 3.29Å; V237-L240 PolarHBondContact O-N 3.18Å; R238-L240 VanDerWaalsContact C-N 3.26Å; R238-L240 PolarHBondContact O-N 3.34Å; L240-D242 VanDerWaalsContact C-N 3.28Å; L240-D242 PolarHBondContact O-N 2.72Å; L240-C243 WeakPolarHBondContact O-CB 3.45Å; L240-C243 PolarHBondContact O-N 3.27Å; L240-C243 VanDerWaalsContact O-N 3.16Å; L240-V244 HydrophobicContact CD1-CG2 4.46Å; L240-V244 HydrophobicContact CG-CG2 4.47Å; L240-V244 WeakPolarHBondContact O-CG2 2.99Å; L240-V244 PolarHBondContact O-N 3.11Å |
| 241 | L | 95.4 | Very high | 92.5 | Very high | 17 Ų | 17 | 65.4 Ų | 65.4 | 9% | 0.089 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.4 | -37.7 | 180 | -66.4 | 174.1 | 0 | 0 | 0 | 111.4 | I199 V201 V237 R238 V244 K245 I257 H275 | I199-L241 HydrophobicContact CG2-CD2 4.44Å; V201-L241 HydrophobicContact CG2-CD2 3.84Å; V237-L241 HydrophobicContact CG1-CD1 4.03Å; V237-L241 HydrophobicContact CG1-CG 4.37Å; V237-L241 WeakPolarHBondContact O-CG 3.3Å; V237-L241 PolarHBondContact O-N 3.37Å; R238-L241 PolarHBondContact O-N 3.5Å; R238-L241 VanDerWaalsContact O-N 3.11Å; L241-V244 PolarHBondContact O-N 2.86Å; L241-K245 WeakPolarHBondContact O-CB 3.45Å; L241-K245 PolarHBondContact O-N 2.86Å; L241-I257 HydrophobicContact CB-CD1 4.2Å; L241-I257 HydrophobicContact CB-CG2 4.42Å; L241-I257 HydrophobicContact CD1-CG2 4.08Å; L241-I257 HydrophobicContact CD2-CD1 4.39Å; L241-I257 HydrophobicContact CD2-CG2 4.05Å; L241-I257 HydrophobicContact CG-CG2 4.4Å; L241-I257 WeakPolarHBondContact O-CD1 3.41Å; L241-H275 HydrophobicContact CD1-CB 4.42Å; L241-H275 HydrophobicContact CD2-CB 4.32Å |
| 242 | D | 95.2 | Very high | 92.9 | Very high | 80 Ų | 80 | 68.2 Ų | 68.2 | 43% | 0.428 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 173.4 | -70.6 | -23.8 | 0 | 0 | 0 | 110.8 | R238 L240 V244 K245 M246 | R238-D242 PolarHBondContact O-N 2.64Å; L240-D242 VanDerWaalsContact C-N 3.28Å; L240-D242 PolarHBondContact O-N 2.72Å; D242-V244 PolarHBondContact O-N 2.89Å; D242-K245 PolarHBondContact O-N 2.93Å; D242-M246 WeakPolarHBondContact O-CB 3.25Å; D242-M246 VanDerWaalsContact O-CG 3.22Å; D242-M246 WeakPolarHBondContact O-CG 3.32Å; D242-M246 PolarHBondContact O-N 2.94Å |
| 243 | C | 95.7 | Very high | 93.7 | Very high | 9 Ų | 9 | 60.1 Ų | 60.1 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 173.1 | -67 | 0 | 0 | 0 | 0 | 112.4 | R164 L168 Y174 D239 L240 K245 M246 D247 | R164-C243 VanDerWaalsContact CG-SG 3.53Å; L168-C243 HydrophobicContact CD2-CB 3.95Å; Y174-C243 PolarHBondContact OH-O 3.12Å; Y174-C243 VanDerWaalsContact OH-O 3.1Å; D239-C243 PolarHBondContact O-N 3.24Å; D239-C243 PolarHBondContact O-SG 3.08Å; L240-C243 WeakPolarHBondContact O-CB 3.45Å; L240-C243 PolarHBondContact O-N 3.27Å; L240-C243 VanDerWaalsContact O-N 3.16Å; C243-K245 VanDerWaalsContact C-N 3.31Å; C243-K245 PolarHBondContact O-N 2.9Å; C243-M246 PolarHBondContact O-N 2.82Å; C243-D247 WeakPolarHBondContact O-CB 3.39Å; C243-D247 PolarHBondContact O-N 3.49Å |
| 244 | V | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 178.1 | 168.5 | 0 | 0 | 0 | 0 | 110.1 | Y174 I178 L181 I199 F228 L240 L241 D242 D247 I248 I257 | Y174-V244 HydrophobicContact CE2-CG2 3.82Å; Y174-V244 PolarHBondContact OH-N 3.39Å; I178-V244 HydrophobicContact CD1-CB 4.11Å; I178-V244 HydrophobicContact CD1-CG1 3.79Å; I178-V244 HydrophobicContact CD1-CG2 4.05Å; L181-V244 HydrophobicContact CD1-CG1 4.08Å; I199-V244 HydrophobicContact CD1-CG1 4.19Å; F228-V244 HydrophobicContact CE1-CG2 3.97Å; F228-V244 HydrophobicContact CE2-CG2 4.18Å; F228-V244 HydrophobicContact CZ-CG2 3.74Å; L240-V244 HydrophobicContact CD1-CG2 4.46Å; L240-V244 HydrophobicContact CG-CG2 4.47Å; L240-V244 WeakPolarHBondContact O-CG2 2.99Å; L240-V244 PolarHBondContact O-N 3.11Å; L241-V244 PolarHBondContact O-N 2.86Å; D242-V244 PolarHBondContact O-N 2.89Å; V244-D247 PolarHBondContact O-N 2.82Å; V244-I248 HydrophobicContact CG1-CD1 3.76Å; V244-I248 WeakPolarHBondContact O-CB 3.36Å; V244-I248 VanDerWaalsContact O-CG1 3.25Å; V244-I248 WeakPolarHBondContact O-CG1 3.28Å; V244-I248 PolarHBondContact O-N 2.97Å; V244-I248 VanDerWaalsContact O-N 3.08Å; V244-I257 HydrophobicContact CG1-CD1 4.37Å |
| 245 | K | 97.3 | Very high | 95 | Very high | 75 Ų | 75 | 56.3 Ų | 56.3 | 33% | 0.326 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.4 | -52.5 | 177 | -175.5 | -179.4 | 173.5 | -172.7 | 0 | 111.2 | L241 D242 C243 D247 I248 E249 V255 I257 | L241-K245 WeakPolarHBondContact O-CB 3.45Å; L241-K245 PolarHBondContact O-N 2.86Å; D242-K245 PolarHBondContact O-N 2.93Å; C243-K245 VanDerWaalsContact C-N 3.31Å; C243-K245 PolarHBondContact O-N 2.9Å; K245-D247 VanDerWaalsContact C-N 3.34Å; K245-D247 PolarHBondContact O-N 3.3Å; K245-I248 PolarHBondContact O-N 2.92Å; K245-E249 VanDerWaalsContact CE-CD 3.47Å; K245-E249 WeakPolarHBondContact CE-OE1 3.34Å; K245-E249 HydrophobicContact CG-CG 4.3Å; K245-E249 IonicContact NZ-OE1 3.29Å; K245-E249 WeakPolarHBondContact O-CB 3.46Å; K245-E249 WeakPolarHBondContact O-CG 3.24Å; K245-E249 PolarHBondContact O-N 3.35Å; K245-V255 HydrophobicContact CG-CG2 4.05Å; K245-I257 HydrophobicContact CB-CD1 4.04Å |
| 246 | M | 95.1 | Very high | 95.4 | Very high | 94 Ų | 94 | 57.3 Ų | 57.3 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57 | -44 | 179.1 | -71.9 | 171.9 | 65.6 | 0 | 0 | 112.3 | D242 C243 I248 E249 S250 | D242-M246 WeakPolarHBondContact O-CB 3.25Å; D242-M246 VanDerWaalsContact O-CG 3.22Å; D242-M246 WeakPolarHBondContact O-CG 3.32Å; D242-M246 PolarHBondContact O-N 2.94Å; C243-M246 PolarHBondContact O-N 2.82Å; M246-I248 VanDerWaalsContact C-N 3.32Å; M246-I248 PolarHBondContact O-N 2.97Å; M246-E249 PolarHBondContact O-N 2.8Å; M246-S250 WeakPolarHBondContact O-CB 3.32Å; M246-S250 PolarHBondContact O-N 3.17Å; M246-S250 PolarHBondContact O-OG 3.11Å |
| 247 | D | 96.7 | Very high | 95.6 | Very high | 27 Ų | 27 | 57.2 Ų | 57.2 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.9 | -24.7 | -178.7 | -73.8 | -26 | 0 | 0 | 0 | 113.3 | R164 Y174 I178 C243 V244 K245 S250 R251 | R164-D247 IonicContact CZ-OD1 3.19Å; R164-D247 VanDerWaalsContact CZ-OD1 3.32Å; R164-D247 IonicContact CZ-OD2 3.32Å; R164-D247 IonicContact NH1-OD1 2.87Å; R164-D247 PolarHBondContact NH1-OD1 2.88Å; R164-D247 IonicContact NH1-OD2 2.94Å; R164-D247 PolarHBondContact NH1-OD2 3.4Å; R164-D247 IonicContact NH2-OD1 2.71Å; R164-D247 PolarHBondContact NH2-OD1 3.49Å; R164-D247 IonicContact NH2-OD2 2.85Å; Y174-D247 WeakPolarHBondContact CE1-OD2 3.48Å; Y174-D247 VanDerWaalsContact CZ-OD2 3.26Å; Y174-D247 PolarHBondContact OH-OD2 3.01Å; I178-D247 HydrophobicContact CD1-CB 4.47Å; C243-D247 WeakPolarHBondContact O-CB 3.39Å; C243-D247 PolarHBondContact O-N 3.49Å; V244-D247 PolarHBondContact O-N 2.82Å; K245-D247 VanDerWaalsContact C-N 3.34Å; K245-D247 PolarHBondContact O-N 3.3Å; D247-S250 WeakPolarHBondContact CA-OG 3.47Å; D247-S250 PolarHBondContact O-OG 3.11Å; D247-R251 WeakPolarHBondContact O-CG 3.44Å |
| 248 | I | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -79.1 | -45 | 171.6 | -68.2 | 169.3 | 0 | 0 | 0 | 110.1 | I178 L181 V244 K245 M246 S250 R251 Y253 V255 L277 F279 | I178-I248 HydrophobicContact CD1-CD1 4.4Å; I178-I248 HydrophobicContact CD1-CG1 4.25Å; I178-I248 HydrophobicContact CG2-CG1 4.27Å; L181-I248 HydrophobicContact CD1-CD1 4.21Å; V244-I248 HydrophobicContact CG1-CD1 3.76Å; V244-I248 WeakPolarHBondContact O-CB 3.36Å; V244-I248 VanDerWaalsContact O-CG1 3.25Å; V244-I248 WeakPolarHBondContact O-CG1 3.28Å; V244-I248 PolarHBondContact O-N 2.97Å; V244-I248 VanDerWaalsContact O-N 3.08Å; K245-I248 PolarHBondContact O-N 2.92Å; M246-I248 VanDerWaalsContact C-N 3.32Å; M246-I248 PolarHBondContact O-N 2.97Å; I248-S250 PolarHBondContact O-N 3.41Å; I248-R251 WeakPolarHBondContact O-CB 3.32Å; I248-R251 PolarHBondContact O-N 3.34Å; I248-Y253 HydrophobicContact CG2-CD2 3.95Å; I248-Y253 HydrophobicContact CG2-CG 4.15Å; I248-Y253 WeakPolarHBondContact O-CD2 3.33Å; I248-V255 HydrophobicContact CB-CG2 4.22Å; I248-V255 HydrophobicContact CG2-CB 4.4Å; I248-V255 HydrophobicContact CG2-CG1 3.64Å; I248-V255 HydrophobicContact CG2-CG2 3.84Å; I248-L277 HydrophobicContact CD1-CD1 4.45Å; I248-L277 HydrophobicContact CD1-CD2 3.76Å; I248-F279 HydrophobicContact CD1-CZ 4.14Å; I248-F279 HydrophobicContact CG2-CE1 3.6Å; I248-F279 HydrophobicContact CG2-CZ 3.9Å |
| 249 | E | 97.1 | Very high | 95.5 | Very high | 75 Ų | 75 | 54 Ų | 54 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.3 | -37.2 | 178.9 | -72.4 | -179.7 | 156.8 | 0 | 0 | 112.5 | K245 M246 R251 G252 Y253 V255 | K245-E249 VanDerWaalsContact CE-CD 3.47Å; K245-E249 WeakPolarHBondContact CE-OE1 3.34Å; K245-E249 HydrophobicContact CG-CG 4.3Å; K245-E249 IonicContact NZ-OE1 3.29Å; K245-E249 WeakPolarHBondContact O-CB 3.46Å; K245-E249 WeakPolarHBondContact O-CG 3.24Å; K245-E249 PolarHBondContact O-N 3.35Å; M246-E249 PolarHBondContact O-N 2.8Å; E249-R251 PolarHBondContact O-N 3.42Å; E249-R251 VanDerWaalsContact O-N 3.1Å; E249-G252 WeakPolarHBondContact O-CA 3.38Å; E249-G252 PolarHBondContact O-N 2.56Å; E249-Y253 WeakPolarHBondContact CA-O 3.27Å; E249-V255 HydrophobicContact CG-CG2 3.85Å |
| 250 | S | 94.5 | Very high | 95 | Very high | 92 Ų | 92 | 53.3 Ų | 53.3 | 64% | 0.643 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -18.6 | 173.8 | 65.5 | 0 | 0 | 0 | 0 | 113.6 | M246 D247 I248 G252 | M246-S250 WeakPolarHBondContact O-CB 3.32Å; M246-S250 PolarHBondContact O-N 3.17Å; M246-S250 PolarHBondContact O-OG 3.11Å; D247-S250 WeakPolarHBondContact CA-OG 3.47Å; D247-S250 PolarHBondContact O-OG 3.11Å; I248-S250 PolarHBondContact O-N 3.41Å; S250-G252 VanDerWaalsContact C-N 3.33Å |
| 251 | R | 95.9 | Very high | 94 | Very high | 122 Ų | 122 | 58.9 Ų | 58.9 | 46% | 0.46 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 7 | 172.8 | -60.8 | 175 | -173.4 | -155.3 | 2.1 | 113.1 | I182 D247 I248 E249 Y253 | I182-R251 VanDerWaalsContact CD1-CD 3.42Å; D247-R251 WeakPolarHBondContact O-CG 3.44Å; I248-R251 WeakPolarHBondContact O-CB 3.32Å; I248-R251 PolarHBondContact O-N 3.34Å; E249-R251 PolarHBondContact O-N 3.42Å; E249-R251 VanDerWaalsContact O-N 3.1Å; R251-Y253 HydrophobicContact CB-CD2 3.83Å; R251-Y253 HydrophobicContact CB-CE2 3.67Å |
| 252 | G | 95.8 | Very high | 92.7 | Very high | 71 Ų | 71 | 59.2 Ų | 59.2 | 73% | 0.732 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | 15.1 | 175 | 0 | 0 | 0 | 0 | 0 | 115.4 | E249 S250 | E249-G252 WeakPolarHBondContact O-CA 3.38Å; E249-G252 PolarHBondContact O-N 2.56Å; S250-G252 VanDerWaalsContact C-N 3.33Å |
| 253 | Y | 96.9 | Very high | 91 | Very high | 35 Ų | 35 | 64.9 Ų | 64.9 | 14% | 0.137 | 36% | 0.358 | C | S | . | . | trans | -92.6 | 149.2 | 176 | -58.6 | -81.6 | 0 | 0 | 0 | 111.7 | I182 R186 I248 E249 R251 F279 W281 | I182-Y253 HydrophobicContact CD1-CD2 4.44Å; I182-Y253 HydrophobicContact CD1-CE2 3.92Å; I182-Y253 HydrophobicContact CG1-CD2 4.47Å; I182-Y253 HydrophobicContact CG1-CE2 4.05Å; I182-Y253 HydrophobicContact CG2-CE1 4.45Å; I182-Y253 HydrophobicContact CG2-CE2 3.98Å; I182-Y253 WeakPolarHBondContact CG2-OH 3.49Å; R186-Y253 PolarHBondContact NE-OH 2.84Å; R186-Y253 PolarHBondContact NH2-OH 3.01Å; I248-Y253 HydrophobicContact CG2-CD2 3.95Å; I248-Y253 HydrophobicContact CG2-CG 4.15Å; I248-Y253 WeakPolarHBondContact O-CD2 3.33Å; E249-Y253 WeakPolarHBondContact CA-O 3.27Å; R251-Y253 HydrophobicContact CB-CD2 3.83Å; R251-Y253 HydrophobicContact CB-CE2 3.67Å; Y253-F279 HydrophobicContact CD1-CD1 4.06Å; Y253-F279 HydrophobicContact CD1-CE1 4.1Å; Y253-F279 HydrophobicContact CD2-CE1 4.45Å; Y253-F279 HydrophobicContact CG-CD1 4.16Å; Y253-F279 AromaticContact CG-CE1 3.92Å; Y253-F279 HydrophobicContact CG-CE1 3.92Å; Y253-W281 HydrophobicContact CD1-CH2 4.03Å; Y253-W281 AromaticContact CD1-CZ3 3.96Å; Y253-W281 HydrophobicContact CD1-CZ3 3.96Å; Y253-W281 AromaticContact CE1-CH2 3.81Å; Y253-W281 HydrophobicContact CE1-CH2 3.81Å; Y253-W281 AromaticContact CE1-CZ3 3.74Å; Y253-W281 HydrophobicContact CE1-CZ3 3.74Å | ||
| 254 | N | 96.4 | Very high | 89.2 | Confident | 100 Ų | 100 | 75.8 Ų | 75.8 | 54% | 0.535 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 117.5 | 169.9 | -174.5 | -15.3 | 0 | 0 | 0 | 109.6 | F279 T280 | N254-F279 WeakPolarHBondContact O-CA 3.27Å; N254-T280 PolarHBondContact O-N 3.42Å |
| 255 | V | 97.4 | Very high | 87 | Confident | 4 Ų | 4 | 79.3 Ų | 79.3 | 2% | 0.024 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 148.3 | -175.6 | -71.2 | 0 | 0 | 0 | 0 | 113.8 | K245 I248 E249 L277 T278 F279 | K245-V255 HydrophobicContact CG-CG2 4.05Å; I248-V255 HydrophobicContact CB-CG2 4.22Å; I248-V255 HydrophobicContact CG2-CB 4.4Å; I248-V255 HydrophobicContact CG2-CG1 3.64Å; I248-V255 HydrophobicContact CG2-CG2 3.84Å; E249-V255 HydrophobicContact CG-CG2 3.85Å; V255-L277 HydrophobicContact CB-CD1 3.8Å; V255-L277 HydrophobicContact CG1-CD1 4.04Å; V255-L277 HydrophobicContact CG2-CD1 4.37Å; V255-T278 VanDerWaalsContact CA-O 3.25Å; V255-T278 WeakPolarHBondContact CA-O 3.5Å; V255-F279 HydrophobicContact CG1-CB 4.34Å; V255-F279 HydrophobicContact CG1-CD1 3.41Å; V255-F279 VanDerWaalsContact CG1-CD1 3.41Å; V255-F279 HydrophobicContact CG1-CD2 3.95Å; V255-F279 HydrophobicContact CG1-CE1 3.55Å; V255-F279 HydrophobicContact CG1-CE2 4.07Å; V255-F279 HydrophobicContact CG1-CG 3.62Å; V255-F279 HydrophobicContact CG1-CZ 3.89Å |
| 256 | S | 97.1 | Very high | 84.6 | Confident | 57 Ų | 57 | 85.7 Ų | 85.7 | 40% | 0.399 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 142.6 | 168.5 | 62.1 | 0 | 0 | 0 | 0 | 110.8 | L277 T278 | S256-L277 WeakPolarHBondContact O-CA 3.08Å; S256-T278 PolarHBondContact N-O 3.43Å; S256-T278 PolarHBondContact O-N 2.9Å |
| 257 | I | 96 | Very high | 82.4 | Confident | 43 Ų | 43 | 88.6 Ų | 88.6 | 22% | 0.221 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 125.8 | 176.3 | -58.8 | 176.3 | 0 | 0 | 0 | 108.4 | L241 V244 K245 H275 K276 L277 | L241-I257 HydrophobicContact CB-CD1 4.2Å; L241-I257 HydrophobicContact CB-CG2 4.42Å; L241-I257 HydrophobicContact CD1-CG2 4.08Å; L241-I257 HydrophobicContact CD2-CD1 4.39Å; L241-I257 HydrophobicContact CD2-CG2 4.05Å; L241-I257 HydrophobicContact CG-CG2 4.4Å; L241-I257 WeakPolarHBondContact O-CD1 3.41Å; V244-I257 HydrophobicContact CG1-CD1 4.37Å; K245-I257 HydrophobicContact CB-CD1 4.04Å; I257-H275 HydrophobicContact CG2-CB 3.92Å; I257-K276 WeakPolarHBondContact CA-O 3.32Å; I257-L277 HydrophobicContact CD1-CD1 4.05Å; I257-L277 HydrophobicContact CG1-CD1 3.5Å |
| 258 | E | 92.8 | Very high | 80.1 | Confident | 94 Ų | 94 | 93.2 Ų | 93.2 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 154 | 176.7 | 61.4 | -172.3 | 176.6 | 0 | 0 | 110.7 | H275 K276 | E258-H275 CarbonylContact O-C 3.26Å; E258-H275 VanDerWaalsContact O-CA 3.25Å; E258-H275 WeakPolarHBondContact O-CA 3.36Å; E258-K276 HydrophobicContact CG-CB 3.85Å; E258-K276 HydrophobicContact CG-CD 4.47Å; E258-K276 HydrophobicContact CG-CG 4.44Å; E258-K276 PolarHBondContact N-O 2.99Å; E258-K276 PolarHBondContact O-N 3.15Å; E258-K276 WeakPolarHBondContact OE1-CD 3.09Å; E258-K276 WeakPolarHBondContact OE1-CE 3.44Å; E258-K276 IonicContact OE1-NZ 2.79Å; E258-K276 PolarHBondContact OE1-NZ 3.01Å |
| 259 | A | 88.3 | Confident | 77.8 | Confident | 69 Ų | 69 | 102.2 Ų | 102.2 | 57% | 0.57 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65 | 138.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 260 | Y | 82.8 | Confident | 75.7 | Confident | 56 Ų | 56 | 101.4 Ų | 101.4 | 22% | 0.22 | 54% | 0.543 | C | S | . | . | trans | -79.9 | 125 | 177.2 | 179.1 | -100.2 | 0 | 0 | 0 | 110.4 | L198 E223 P262 F274 | L198-Y260 HydrophobicContact CD1-CE2 4.33Å; L198-Y260 HydrophobicContact CD2-CD2 3.45Å; L198-Y260 VanDerWaalsContact CD2-CD2 3.45Å; L198-Y260 HydrophobicContact CD2-CE2 3.84Å; L198-Y260 HydrophobicContact CD2-CG 4.08Å; E223-Y260 PolarHBondContact OE2-OH 2.94Å; Y260-P262 HydrophobicContact CD1-CG 4.21Å; Y260-P262 HydrophobicContact CE1-CB 4.12Å; Y260-P262 HydrophobicContact CE1-CG 3.87Å; Y260-F274 VanDerWaalsContact CB-O 3.27Å; Y260-F274 WeakPolarHBondContact CB-O 3.34Å; Y260-F274 HydrophobicContact CD1-CB 4.07Å; Y260-F274 HydrophobicContact CG-CB 4.13Å; Y260-F274 PolarHBondContact N-O 3.39Å | ||
| 261 | V | 73.7 | Confident | 74.1 | Confident | 117 Ų | 117 | 100.7 Ų | 100.7 | 71% | 0.709 | 53% | 0.527 | S | S | * | . | trans | -114.3 | 112.5 | 175.9 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 262 | P | 67.4 | Low | 72.9 | Confident | 24 Ų | 24 | 100.2 Ų | 100.2 | 16% | 0.156 | 53% | 0.533 | C | S | . | . | trans | -68.1 | 137.7 | 178.1 | -9.9 | 20.2 | 0 | 0 | 0 | 111.8 | Y260 R264 S265 Y271 | Y260-P262 HydrophobicContact CD1-CG 4.21Å; Y260-P262 HydrophobicContact CE1-CB 4.12Å; Y260-P262 HydrophobicContact CE1-CG 3.87Å; P262-R264 PolarHBondContact O-N 3.02Å; P262-R264 VanDerWaalsContact O-N 3.11Å; P262-S265 PolarHBondContact O-OG 3.49Å; P262-S265 VanDerWaalsContact O-OG 3.11Å; P262-Y271 HydrophobicContact CG-CD1 4.37Å; P262-Y271 HydrophobicContact CG-CD2 3.34Å; P262-Y271 HydrophobicContact CG-CE2 3.79Å; P262-Y271 HydrophobicContact CG-CG 3.66Å | ||
| 263 | E | 59.5 | Low | 72.2 | Confident | 199 Ų | 199 | 99.2 Ų | 99.2 | 93% | 0.93 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -65 | -13.8 | 179.4 | -67.2 | -175 | 166.9 | 0 | 0 | 114.1 | ||
| 264 | R | 59 | Low | 71.7 | Confident | 237 Ų | 237 | 97.5 Ų | 97.5 | 89% | 0.894 | 50% | 0.502 | S | S | * | . | trans | -130.2 | 81 | -179.3 | -66.5 | -173.2 | -179.6 | -174.2 | 1.1 | 111.9 | P262 | P262-R264 PolarHBondContact O-N 3.02Å; P262-R264 VanDerWaalsContact O-N 3.11Å | ||
| 265 | S | 50.1 | Low | 71.5 | Confident | 74 Ų | 74 | 93.7 Ų | 93.7 | 52% | 0.517 | 48% | 0.481 | S | S | . | . | trans | -112.4 | 92.9 | -179.2 | -54 | 0 | 0 | 0 | 0 | 111.8 | P262 | P262-S265 PolarHBondContact O-OG 3.49Å; P262-S265 VanDerWaalsContact O-OG 3.11Å | ||
| 266 | F | 47.8 | Very low | 71.3 | Confident | 209 Ų | 209 | 96.5 Ų | 96.5 | 92% | 0.917 | 49% | 0.493 | S | S | * | . | trans | -97 | -2.9 | 165.7 | -85.5 | -82.1 | 0 | 0 | 0 | 113.2 | ||||
| 267 | L | 48.3 | Very low | 71.2 | Confident | 156 Ų | 156 | 93.8 Ų | 93.8 | 82% | 0.817 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -124.5 | 118.1 | 179.6 | -66.8 | 173.2 | 0 | 0 | 0 | 110.1 | K269 | L267-K269 VanDerWaalsContact C-N 3.29Å; L267-K269 PolarHBondContact O-N 3.05Å |
| 268 | S | 47.8 | Very low | 71.2 | Confident | 123 Ų | 123 | 92.2 Ų | 92.2 | 86% | 0.86 | 47% | 0.466 | S | S | * | . | trans | -84.5 | 29.8 | -167.3 | 52.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 269 | K | 50.3 | Low | 71.4 | Confident | 190 Ų | 190 | 87.8 Ų | 87.8 | 83% | 0.826 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -120.6 | 106.7 | 169.9 | -73.9 | -173.1 | 177.8 | -177.8 | 0 | 108.2 | L267 | L267-K269 VanDerWaalsContact C-N 3.29Å; L267-K269 PolarHBondContact O-N 3.05Å |
| 270 | S | 52.1 | Low | 71.8 | Confident | 57 Ų | 57 | 86.3 Ų | 86.3 | 40% | 0.399 | 43% | 0.43 | S | S | . | . | trans | -85.4 | 147.9 | -140.5 | 36.4 | 0 | 0 | 0 | 0 | 113.5 | D272 | S270-D272 WeakPolarHBondContact CB-OD1 3.48Å; S270-D272 WeakPolarHBondContact CB-OD2 3.47Å; S270-D272 PolarHBondContact O-N 3.44Å; S270-D272 PolarHBondContact OG-OD1 2.8Å; S270-D272 PolarHBondContact OG-OD2 2.8Å | ||
| 271 | Y | 61.4 | Low | 72.4 | Confident | 78 Ų | 78 | 87.1 Ų | 87.1 | 31% | 0.306 | 43% | 0.432 | S | S | . | . | trans | -69.8 | 35.6 | 168.7 | -71.2 | -101.8 | 0 | 0 | 0 | 111.7 | A214 P262 F273 F274 | A214-Y271 HydrophobicContact CB-CD1 4.23Å; A214-Y271 HydrophobicContact CB-CE1 3.97Å; P262-Y271 HydrophobicContact CG-CD1 4.37Å; P262-Y271 HydrophobicContact CG-CD2 3.34Å; P262-Y271 HydrophobicContact CG-CE2 3.79Å; P262-Y271 HydrophobicContact CG-CG 3.66Å; Y271-F273 PolarHBondContact O-N 3.37Å; Y271-F274 AromaticContact CD1-CD2 3.9Å; Y271-F274 HydrophobicContact CD1-CD2 3.9Å; Y271-F274 HydrophobicContact CD1-CE2 4.09Å; Y271-F274 PolarHBondContact O-N 3.05Å | ||
| 272 | D | 70.6 | Confident | 73 | Confident | 111 Ų | 111 | 90 Ų | 90 | 59% | 0.594 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -6.8 | -176 | -70.1 | -15.7 | 0 | 0 | 0 | 113 | S270 | S270-D272 WeakPolarHBondContact CB-OD1 3.48Å; S270-D272 WeakPolarHBondContact CB-OD2 3.47Å; S270-D272 PolarHBondContact O-N 3.44Å; S270-D272 PolarHBondContact OG-OD1 2.8Å; S270-D272 PolarHBondContact OG-OD2 2.8Å |
| 273 | F | 79.9 | Confident | 73.3 | Confident | 50 Ų | 50 | 93.3 Ų | 93.3 | 22% | 0.219 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -17.4 | 173.5 | -49.6 | -76.4 | 0 | 0 | 0 | 112.8 | C200 V201 D207 F210 Y271 | C200-F273 CarbonylContact C-O 3.6Å; C200-F273 WeakPolarHBondContact CA-O 3.31Å; V201-F273 PolarHBondContact N-O 2.95Å; D207-F273 HydrophobicContact CB-CD1 4.41Å; D207-F273 HydrophobicContact CB-CE1 3.83Å; D207-F273 HydrophobicContact CB-CZ 4.38Å; F210-F273 HydrophobicContact CB-CE2 4.27Å; Y271-F273 PolarHBondContact O-N 3.37Å |
| 274 | F | 87.2 | Confident | 74 | Confident | 0 Ų | 0 | 87.7 Ų | 87.7 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 134.4 | -175.8 | -66.8 | -85.3 | 0 | 0 | 0 | 111.4 | I199 C200 A214 L218 A225 Y260 Y271 | I199-F274 CarbonylContact O-C 3.54Å; I199-F274 WeakPolarHBondContact O-CA 3.22Å; C200-F274 HydrophobicContact CB-CD1 4.04Å; C200-F274 HydrophobicContact CB-CE1 3.76Å; C200-F274 HydrophobicContact CB-CZ 4.41Å; A214-F274 HydrophobicContact CB-CE2 3.49Å; A214-F274 VanDerWaalsContact CB-CE2 3.49Å; A214-F274 HydrophobicContact CB-CZ 3.89Å; L218-F274 HydrophobicContact CD1-CE1 4.07Å; L218-F274 HydrophobicContact CD1-CE2 4.3Å; L218-F274 HydrophobicContact CD1-CZ 3.9Å; L218-F274 HydrophobicContact CD2-CD1 4.01Å; L218-F274 HydrophobicContact CD2-CE1 3.59Å; L218-F274 HydrophobicContact CD2-CZ 4.23Å; A225-F274 HydrophobicContact CB-CE1 4.14Å; Y260-F274 VanDerWaalsContact CB-O 3.27Å; Y260-F274 WeakPolarHBondContact CB-O 3.34Å; Y260-F274 HydrophobicContact CD1-CB 4.07Å; Y260-F274 HydrophobicContact CG-CB 4.13Å; Y260-F274 PolarHBondContact N-O 3.39Å; Y271-F274 AromaticContact CD1-CD2 3.9Å; Y271-F274 HydrophobicContact CD1-CD2 3.9Å; Y271-F274 HydrophobicContact CD1-CE2 4.09Å; Y271-F274 PolarHBondContact O-N 3.05Å |
| 275 | H | 91.5 | Very high | 74.8 | Confident | 20 Ų | 20 | 79.4 Ų | 79.4 | 9% | 0.093 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 144.6 | 176.3 | -58 | -83.8 | 0 | 0 | 0 | 109 | L198 I199 V237 L241 I257 E258 | L198-H275 CarbonylContact C-O 3.52Å; L198-H275 WeakPolarHBondContact CA-O 3.49Å; I199-H275 HydrophobicContact CB-CB 4.42Å; I199-H275 PolarHBondContact N-O 3.22Å; I199-H275 PolarHBondContact O-N 2.77Å; V237-H275 WeakPolarHBondContact CG1-NE2 3.22Å; L241-H275 HydrophobicContact CD1-CB 4.42Å; L241-H275 HydrophobicContact CD2-CB 4.32Å; I257-H275 HydrophobicContact CG2-CB 3.92Å; E258-H275 CarbonylContact O-C 3.26Å; E258-H275 VanDerWaalsContact O-CA 3.25Å; E258-H275 WeakPolarHBondContact O-CA 3.36Å |
| 276 | K | 93 | Very high | 76.3 | Confident | 62 Ų | 62 | 79.7 Ų | 79.7 | 27% | 0.27 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 113.2 | 178.8 | -176.8 | 174.7 | 155.6 | -140.7 | 0 | 109.2 | T196 L198 I257 E258 | T196-K276 HydrophobicContact CG2-CD 3.57Å; T196-K276 HydrophobicContact CG2-CG 3.33Å; L198-K276 HydrophobicContact CD2-CB 4.36Å; I257-K276 WeakPolarHBondContact CA-O 3.32Å; E258-K276 HydrophobicContact CG-CB 3.85Å; E258-K276 HydrophobicContact CG-CD 4.47Å; E258-K276 HydrophobicContact CG-CG 4.44Å; E258-K276 PolarHBondContact N-O 2.99Å; E258-K276 PolarHBondContact O-N 3.15Å; E258-K276 WeakPolarHBondContact OE1-CD 3.09Å; E258-K276 WeakPolarHBondContact OE1-CE 3.44Å; E258-K276 IonicContact OE1-NZ 2.79Å; E258-K276 PolarHBondContact OE1-NZ 3.01Å |
| 277 | L | 95.9 | Very high | 78.1 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 118.4 | 171.8 | 175.6 | 69.3 | 0 | 0 | 0 | 109 | L181 T196 I197 I199 I248 V255 S256 I257 F279 | L181-L277 HydrophobicContact CB-CD2 4.36Å; L181-L277 HydrophobicContact CD1-CD2 3.97Å; L181-L277 HydrophobicContact CD2-CD2 4.02Å; L181-L277 HydrophobicContact CG-CD2 4.35Å; T196-L277 WeakPolarHBondContact CA-O 3.28Å; I197-L277 PolarHBondContact N-O 3.28Å; I197-L277 PolarHBondContact O-N 2.85Å; I199-L277 HydrophobicContact CD1-CB 3.67Å; I199-L277 HydrophobicContact CD1-CD2 4.02Å; I199-L277 HydrophobicContact CD1-CG 4.31Å; I199-L277 HydrophobicContact CG1-CB 3.96Å; I248-L277 HydrophobicContact CD1-CD1 4.45Å; I248-L277 HydrophobicContact CD1-CD2 3.76Å; V255-L277 HydrophobicContact CB-CD1 3.8Å; V255-L277 HydrophobicContact CG1-CD1 4.04Å; V255-L277 HydrophobicContact CG2-CD1 4.37Å; S256-L277 WeakPolarHBondContact O-CA 3.08Å; I257-L277 HydrophobicContact CD1-CD1 4.05Å; I257-L277 HydrophobicContact CG1-CD1 3.5Å; L277-F279 HydrophobicContact CD2-CD2 4.29Å; L277-F279 HydrophobicContact CD2-CE2 3.39Å; L277-F279 HydrophobicContact CD2-CZ 3.96Å; L277-F279 HydrophobicContact CG-CD2 4.2Å; L277-F279 HydrophobicContact CG-CE2 3.77Å |
| 278 | T | 96.4 | Very high | 80.1 | Confident | 10 Ų | 10 | 66 Ų | 66 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 119.1 | -179.8 | -54.9 | 0 | 0 | 0 | 0 | 110.1 | R194 S195 V255 S256 | R194-T278 HydrophobicContact CB-CG2 4.14Å; R194-T278 HydrophobicContact CG-CG2 4.33Å; S195-T278 CarbonylContact O-C 3.57Å; S195-T278 WeakPolarHBondContact O-CA 3.41Å; V255-T278 VanDerWaalsContact CA-O 3.25Å; V255-T278 WeakPolarHBondContact CA-O 3.5Å; S256-T278 PolarHBondContact N-O 3.43Å; S256-T278 PolarHBondContact O-N 2.9Å |
| 279 | F | 97.3 | Very high | 82.4 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 141.7 | 169.5 | -71.6 | -106.4 | 0 | 0 | 0 | 110.2 | I182 A185 R194 S195 I197 I248 Y253 N254 V255 L277 W281 | I182-F279 HydrophobicContact CG1-CE1 4.47Å; I182-F279 HydrophobicContact CG1-CZ 4.38Å; A185-F279 HydrophobicContact CB-CB 4.38Å; A185-F279 HydrophobicContact CB-CD1 3.91Å; A185-F279 HydrophobicContact CB-CD2 3.39Å; A185-F279 HydrophobicContact CB-CE1 3.96Å; A185-F279 HydrophobicContact CB-CE2 3.43Å; A185-F279 VanDerWaalsContact CB-CE2 3.43Å; A185-F279 HydrophobicContact CB-CG 3.64Å; A185-F279 HydrophobicContact CB-CZ 3.73Å; R194-F279 WeakPolarHBondContact CA-O 3.45Å; S195-F279 PolarHBondContact N-O 3.37Å; S195-F279 VanDerWaalsContact N-O 3.16Å; S195-F279 PolarHBondContact O-N 3.21Å; I197-F279 HydrophobicContact CD1-CD2 4.46Å; I197-F279 HydrophobicContact CD1-CE2 4.05Å; I248-F279 HydrophobicContact CD1-CZ 4.14Å; I248-F279 HydrophobicContact CG2-CE1 3.6Å; I248-F279 HydrophobicContact CG2-CZ 3.9Å; Y253-F279 HydrophobicContact CD1-CD1 4.06Å; Y253-F279 HydrophobicContact CD1-CE1 4.1Å; Y253-F279 HydrophobicContact CD2-CE1 4.45Å; Y253-F279 HydrophobicContact CG-CD1 4.16Å; Y253-F279 AromaticContact CG-CE1 3.92Å; Y253-F279 HydrophobicContact CG-CE1 3.92Å; N254-F279 WeakPolarHBondContact O-CA 3.27Å; V255-F279 HydrophobicContact CG1-CB 4.34Å; V255-F279 HydrophobicContact CG1-CD1 3.41Å; V255-F279 VanDerWaalsContact CG1-CD1 3.41Å; V255-F279 HydrophobicContact CG1-CD2 3.95Å; V255-F279 HydrophobicContact CG1-CE1 3.55Å; V255-F279 HydrophobicContact CG1-CE2 4.07Å; V255-F279 HydrophobicContact CG1-CG 3.62Å; V255-F279 HydrophobicContact CG1-CZ 3.89Å; L277-F279 HydrophobicContact CD2-CD2 4.29Å; L277-F279 HydrophobicContact CD2-CE2 3.39Å; L277-F279 HydrophobicContact CD2-CZ 3.96Å; L277-F279 HydrophobicContact CG-CD2 4.2Å; L277-F279 HydrophobicContact CG-CE2 3.77Å; F279-W281 HydrophobicContact CB-CZ2 4.07Å; F279-W281 HydrophobicContact CD1-CH2 4.5Å; F279-W281 HydrophobicContact CD1-CZ2 4.22Å; F279-W281 HydrophobicContact CG-CZ2 4.31Å |
| 280 | T | 96.8 | Very high | 84.9 | Confident | 38 Ų | 38 | 52.1 Ų | 52.1 | 23% | 0.233 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 125.1 | 170.5 | -58 | 0 | 0 | 0 | 0 | 109.7 | N254 | N254-T280 PolarHBondContact O-N 3.42Å |
| 281 | W | 93.6 | Very high | 87.6 | Confident | 73 Ų | 73 | 51.7 Ų | 51.7 | 28% | 0.277 | 23% | 0.227 | S | C | . | . | trans | -100.8 | -50.2 | -165.1 | -65.5 | 101.7 | 0 | 0 | 0 | 116 | A185 R186 A189 R193 S195 Y253 F279 | A185-W281 HydrophobicContact CB-CH2 4.36Å; A185-W281 HydrophobicContact CB-CZ2 3.76Å; A185-W281 VanDerWaalsContact O-CZ2 3.23Å; A185-W281 WeakPolarHBondContact O-CZ2 3.38Å; R186-W281 HydrophobicContact CB-CH2 4.25Å; R186-W281 HydrophobicContact CG-CH2 3.54Å; R186-W281 HydrophobicContact CG-CZ2 4.47Å; R186-W281 HydrophobicContact CG-CZ3 4.11Å; A189-W281 HydrophobicContact CB-CD2 3.56Å; A189-W281 HydrophobicContact CB-CE3 4.13Å; A189-W281 HydrophobicContact CB-CG 3.91Å; A189-W281 HydrophobicContact CB-CH2 4.28Å; A189-W281 HydrophobicContact CB-CZ2 3.71Å; A189-W281 HydrophobicContact CB-CZ3 4.45Å; R193-W281 PolarHBondContact O-N 3.31Å; S195-W281 PolarHBondContact OG-NE1 3.38Å; Y253-W281 HydrophobicContact CD1-CH2 4.03Å; Y253-W281 AromaticContact CD1-CZ3 3.96Å; Y253-W281 HydrophobicContact CD1-CZ3 3.96Å; Y253-W281 AromaticContact CE1-CH2 3.81Å; Y253-W281 HydrophobicContact CE1-CH2 3.81Å; Y253-W281 AromaticContact CE1-CZ3 3.74Å; Y253-W281 HydrophobicContact CE1-CZ3 3.74Å; F279-W281 HydrophobicContact CB-CZ2 4.07Å; F279-W281 HydrophobicContact CD1-CH2 4.5Å; F279-W281 HydrophobicContact CD1-CZ2 4.22Å; F279-W281 HydrophobicContact CG-CZ2 4.31Å | ||
| 282 | W | 87.4 | Confident | 90 | Very high | 177 Ų | 177 | 49.3 Ų | 49.3 | 67% | 0.67 | 22% | 0.22 | S | C | * | . | trans | -132.4 | 0 | 171.3 | 58.6 | 99.5 | 0 | 0 | 0 | 107.1 | A189 A192 R193 | A189-W282 WeakPolarHBondContact O-CH2 3.44Å; A192-W282 WeakPolarHBondContact O-CH2 3.4Å; R193-W282 HydrophobicContact CB-CZ2 3.97Å; R193-W282 HydrophobicContact CG-CD2 4.49Å; R193-W282 WeakPolarHBondContact CG-O 3.39Å; R193-W282 PolarHBondContact NE-O 3.45Å; R193-W282 VanDerWaalsContact NE-O 3.14Å; R193-W282 PolarHBondContact NH1-O 3.45Å; R193-W282 PolarHBondContact NH1-OXT 3.2Å; R193-W282 PolarHBondContact NH2-O 3.43Å; R193-W282 PolarHBondContact NH2-OXT 2.93Å |
Retrieved 282 of 282 residues in 54.2 ms
(Link to these results)