| 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 | 37.7 | Very low | 31 | Very low | 242 Ų | 242 | 154.7 Ų | 154.7 | 100% | 1.192 | 84% | 0.843 | S | S | * | * | 0 | 98.1 | 0 | -165 | 168.3 | 172.2 | 0 | 0 | 105.3 | |||||
| 2 | E | 27 | Very low | 31.1 | Very low | 198 Ų | 198 | 158 Ų | 158 | 93% | 0.925 | 85% | 0.848 | S | S | * | * | trans | -64.3 | 130.3 | -178.7 | -77 | 173.1 | 140.6 | 0 | 0 | 109.7 | ||||
| 3 | I | 31.6 | Very low | 31 | Very low | 161 Ų | 161 | 160.3 Ų | 160.3 | 83% | 0.826 | 85% | 0.85 | S | S | * | * | trans | -94.9 | 113.3 | 169.3 | -64.1 | 172.9 | 0 | 0 | 0 | 106.1 | L5 | I3-L5 PolarHBondContact O-N 3.18Š| ||
| 4 | A | 29.9 | Very low | 30.9 | Very low | 86 Ų | 86 | 157.1 Ų | 157.1 | 71% | 0.711 | 85% | 0.847 | S | S | * | * | trans | -69.5 | 121 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | V6 | A4-V6 PolarHBondContact O-N 3.4Š| ||
| 5 | L | 30.8 | Very low | 30.9 | Very low | 174 Ų | 174 | 155.5 Ų | 155.5 | 91% | 0.911 | 85% | 0.851 | S | S | * | * | trans | -76.6 | 113.1 | 163.7 | -76.7 | 164.1 | 0 | 0 | 0 | 108.1 | I3 | I3-L5 PolarHBondContact O-N 3.18Š| ||
| 6 | V | 32.8 | Very low | 30.8 | Very low | 120 Ų | 120 | 160.2 Ų | 160.2 | 73% | 0.727 | 85% | 0.852 | S | S | * | * | trans | -92.3 | 118 | 166.7 | 177.2 | 0 | 0 | 0 | 0 | 107.5 | A4 | A4-V6 PolarHBondContact O-N 3.4Š| ||
| 7 | S | 26.8 | Very low | 30.7 | Very low | 102 Ų | 102 | 160.3 Ų | 160.3 | 71% | 0.713 | 85% | 0.853 | S | S | * | * | trans | -62.2 | 127.8 | 171.8 | -73.8 | 0 | 0 | 0 | 0 | 111.1 | E9 | S7-E9 PolarHBondContact O-N 2.88Š| ||
| 8 | F | 29.5 | Very low | 30.7 | Very low | 199 Ų | 199 | 156.5 Ų | 156.5 | 87% | 0.873 | 85% | 0.848 | S | S | * | * | trans | -89.6 | 83 | 165.4 | -91.4 | -92.8 | 0 | 0 | 0 | 109.5 | ||||
| 9 | E | 33.1 | Very low | 30.6 | Very low | 167 Ų | 167 | 157.6 Ų | 157.6 | 78% | 0.78 | 85% | 0.852 | S | S | * | * | trans | -124.3 | 103.4 | 156.3 | -83.7 | 178.9 | 131.3 | 0 | 0 | 105.4 | S7 | S7-E9 PolarHBondContact O-N 2.88Š| ||
| 10 | N | 30.6 | Very low | 30.5 | Very low | 164 Ų | 164 | 159 Ų | 159 | 88% | 0.877 | 85% | 0.853 | S | S | * | * | trans | 154.3 | 55.1 | 160.5 | -78.3 | -19.8 | 0 | 0 | 0 | 112.3 | ||||
| 11 | A | 31.3 | Very low | 30.5 | Very low | 89 Ų | 89 | 157.8 Ų | 157.8 | 74% | 0.736 | 85% | 0.851 | S | S | * | * | S | Bend | trans | -126.5 | 7.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 12 | E | 31.8 | Very low | 30.2 | Very low | 194 Ų | 194 | 151.5 Ų | 151.5 | 91% | 0.907 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -103.1 | -3.4 | 178.5 | -78 | -167.9 | 146.8 | 0 | 0 | 115 | ||
| 13 | E | 30.6 | Very low | 30.4 | Very low | 188 Ų | 188 | 151.1 Ų | 151.1 | 88% | 0.879 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -99.4 | -0.5 | -173.4 | -137.7 | 171.2 | -169.7 | 0 | 0 | 115.3 | ||
| 14 | S | 28.9 | Very low | 30.4 | Very low | 115 Ų | 115 | 149.5 Ų | 149.5 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -102 | -3.7 | -174.9 | -151.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 15 | C | 30.8 | Very low | 30.2 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 90% | 0.899 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -102.4 | 15.5 | -177.2 | -87.4 | 0 | 0 | 0 | 0 | 115.3 | ||
| 16 | R | 29.5 | Very low | 29.9 | Very low | 231 Ų | 231 | 150 Ų | 150 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -107.3 | -2.3 | 179.7 | -88.8 | -174.8 | 176.5 | 173.9 | 1.4 | 116.8 | ||
| 17 | N | 29.1 | Very low | 29.6 | Very low | 162 Ų | 162 | 149.6 Ų | 149.6 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -127.1 | 68.9 | -178.1 | -72.2 | -22 | 0 | 0 | 0 | 112.4 | ||
| 18 | A | 30.3 | Very low | 29.6 | Very low | 92 Ų | 92 | 153.3 Ų | 153.3 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | trans | -161.1 | 76.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 19 | L | 29.6 | Very low | 29.4 | Very low | 177 Ų | 177 | 149.6 Ų | 149.6 | 93% | 0.927 | 83% | 0.826 | S | S | * | * | trans | -164 | 89.3 | 158.2 | -108.5 | 143.6 | 0 | 0 | 0 | 109.4 | ||||
| 20 | E | 28.3 | Very low | 29 | Very low | 186 Ų | 186 | 145 Ų | 145 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | trans | -157.3 | 155.4 | 156.9 | -117.6 | 174.2 | -168.7 | 0 | 0 | 110.7 | ||||
| 21 | V | 30.8 | Very low | 28.8 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | trans | 87.9 | 144.5 | 170.6 | -142.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 22 | P | 32.1 | Very low | 28.5 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 71% | 0.708 | 83% | 0.825 | S | S | * | * | -132.5 | 168.8 | -75.7 | 40 | -22.3 | 0 | 0 | 0 | 113.6 | |||||
| 23 | Q | 30.8 | Very low | 28.4 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | trans | -76.9 | 153 | 170.4 | -73.5 | -159 | 2.1 | 0 | 0 | 114 | ||||
| 24 | P | 31.1 | Very low | 28.2 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | -131.6 | 158.4 | 121.8 | 36.5 | -24.7 | 0 | 0 | 0 | 109.6 | |||||
| 25 | G | 25.5 | Very low | 28 | Very low | 64 Ų | 64 | 148.2 Ų | 148.2 | 66% | 0.66 | 83% | 0.825 | S | S | * | * | cis | 142.1 | 110.7 | 16.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 26 | F | 24.3 | Very low | 27.9 | Very low | 207 Ų | 207 | 144.6 Ų | 144.6 | 91% | 0.908 | 81% | 0.811 | S | S | * | * | trans | 80.3 | 140.5 | 145 | -110.9 | -71.6 | 0 | 0 | 0 | 125 | ||||
| 27 | V | 26.2 | Very low | 27.8 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 67% | 0.673 | 81% | 0.808 | S | S | * | * | trans | 74.9 | 105.8 | 155.9 | -165.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 28 | Q | 26.6 | Very low | 27.8 | Very low | 180 Ų | 180 | 141.7 Ų | 141.7 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | 87.7 | 114.8 | 69.6 | -162.7 | 179 | 4 | 0 | 0 | 115.5 | |||||
| 29 | S | 26 | Very low | 27.7 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | 155.5 | 126.1 | 147.3 | 60 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 30 | G | 24.2 | Very low | 27.6 | Very low | 69 Ų | 69 | 141.4 Ų | 141.4 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | cis | 115.4 | 105.6 | 29.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 31 | L | 27.1 | Very low | 27.5 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 94% | 0.937 | 78% | 0.775 | S | S | * | * | trans | 161 | 108.5 | 161.2 | -91.1 | 151.4 | 0 | 0 | 0 | 106.5 | ||||
| 32 | G | 25.9 | Very low | 27.3 | Very low | 71 Ų | 71 | 143 Ų | 143 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | 80.1 | 125.1 | 75.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 33 | E | 28.3 | Very low | 27 | Very low | 182 Ų | 182 | 141 Ų | 141 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | cis | -160.5 | 152 | 20 | -89.2 | 171.6 | 142 | 0 | 0 | 109.5 | ||||
| 34 | E | 26.3 | Very low | 26.8 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | 19.2 | 125.9 | 143.6 | -62 | -172.6 | 140.3 | 0 | 0 | 122.4 | ||||
| 35 | F | 25.8 | Very low | 27.2 | Very low | 215 Ų | 215 | 136.1 Ų | 136.1 | 94% | 0.943 | 77% | 0.768 | S | S | * | * | -146.6 | 108.7 | 109.8 | -122 | -91 | 0 | 0 | 0 | 109.5 | |||||
| 36 | G | 27.1 | Very low | 27.3 | Very low | 58 Ų | 58 | 144.1 Ų | 144.1 | 60% | 0.598 | 78% | 0.778 | S | S | * | * | trans | -68.4 | 175.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 37 | K | 27.8 | Very low | 27.4 | Very low | 188 Ų | 188 | 144.2 Ų | 144.2 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | cis | -177.6 | 155.4 | 26 | -107.8 | 176.1 | -175.9 | 179.8 | 0 | 102 | ||||
| 38 | E | 28.9 | Very low | 27.7 | Very low | 144 Ų | 144 | 145.5 Ų | 145.5 | 67% | 0.673 | 78% | 0.78 | S | S | * | * | cis | 178.8 | 142.3 | 46.5 | -129.9 | 172.5 | 178.7 | 0 | 0 | 110.7 | ||||
| 39 | L | 30 | Very low | 27.8 | Very low | 135 Ų | 135 | 144.3 Ų | 144.3 | 71% | 0.707 | 78% | 0.779 | S | S | * | * | trans | 47.8 | 138.3 | 135.1 | -69.5 | 161.4 | 0 | 0 | 0 | 119.6 | ||||
| 40 | N | 26.6 | Very low | 28 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 68% | 0.679 | 78% | 0.776 | S | S | * | * | cis | -167.1 | 138 | 33.7 | -150 | 10.6 | 0 | 0 | 0 | 113.3 | ||||
| 41 | T | 25.8 | Very low | 28.2 | Very low | 107 Ų | 107 | 150.4 Ų | 150.4 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | trans | 4 | 137.5 | 147.4 | 63.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 42 | R | 26.7 | Very low | 28.3 | Very low | 246 Ų | 246 | 149.1 Ų | 149.1 | 93% | 0.928 | 78% | 0.776 | S | S | * | * | -178.7 | 109.8 | 106.2 | -98.7 | 177.4 | 170.4 | -176.9 | -3 | 106.4 | |||||
| 43 | G | 25.3 | Very low | 28.3 | Very low | 68 Ų | 68 | 153.3 Ų | 153.3 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | 93.1 | 84.6 | 61.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 44 | S | 27.6 | Very low | 28.3 | Very low | 113 Ų | 113 | 150 Ų | 150 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | 69.7 | 166.2 | 95.5 | 73.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 45 | P | 39.8 | Very low | 28.4 | Very low | 102 Ų | 102 | 149.4 Ų | 149.4 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | cis | -136.8 | 167.8 | -38.1 | 27.1 | -4.8 | 0 | 0 | 0 | 114.2 | ||||
| 46 | W | 26.7 | Very low | 28.3 | Very low | 232 Ų | 232 | 144.1 Ų | 144.1 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | trans | 9.1 | 139.7 | 147 | -53.8 | 86.4 | 0 | 0 | 0 | 121.9 | ||||
| 47 | K | 25.8 | Very low | 28.4 | Very low | 209 Ų | 209 | 147.3 Ų | 147.3 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | -171 | 138.1 | 123.3 | -110.4 | 172.5 | -177.9 | 179.1 | 0 | 115.9 | |||||
| 48 | I | 33.3 | Very low | 28.8 | Very low | 137 Ų | 137 | 143.2 Ų | 143.2 | 70% | 0.703 | 77% | 0.772 | S | S | * | * | trans | -83 | 142.2 | 163.3 | -71.8 | 161.4 | 0 | 0 | 0 | 108.9 | ||||
| 49 | N | 29.2 | Very low | 29.2 | Very low | 156 Ų | 156 | 145.3 Ų | 145.3 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | -174.6 | 147.8 | 132.1 | -104.8 | 13.2 | 0 | 0 | 0 | 114.1 | ||||
| 50 | D | 29 | Very low | 29.5 | Very low | 146 Ų | 146 | 144.8 Ų | 144.8 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | -75.1 | 175.7 | -174.9 | -64.8 | -62.7 | 0 | 0 | 0 | 117.3 | ||||
| 51 | M | 29.1 | Very low | 30.1 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | trans | 107.4 | 106.4 | 142.7 | -73.4 | 177.4 | 83.7 | 0 | 0 | 119.7 | ||||
| 52 | N | 28.9 | Very low | 30.8 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | 28.3 | 121.4 | 128.5 | -67.3 | -11.3 | 0 | 0 | 0 | 119.9 | |||||
| 53 | N | 26.8 | Very low | 31.5 | Very low | 159 Ų | 159 | 138.2 Ų | 138.2 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | -155.5 | 147.3 | 120.4 | -143.9 | -0.2 | 0 | 0 | 0 | 113.2 | |||||
| 54 | T | 28.3 | Very low | 32.3 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 69% | 0.693 | 77% | 0.765 | S | S | * | * | trans | -88.3 | 164.1 | -169.6 | 36.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 55 | L | 26.9 | Very low | 33.1 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | 77.8 | 113.5 | 149.7 | -102.1 | 85.5 | 0 | 0 | 0 | 119.3 | ||||
| 56 | S | 24.5 | Very low | 33.1 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | 156.7 | 145.9 | 89.4 | 60.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 57 | C | 28.3 | Very low | 33.7 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | 74.9 | 106.5 | 150.7 | -72.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 58 | S | 36.9 | Very low | 34.3 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | -33 | 131.2 | 145.9 | 162.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 59 | E | 38.2 | Very low | 34.5 | Very low | 189 Ų | 189 | 134.1 Ų | 134.1 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | trans | -136.7 | 147.8 | 148 | -82.1 | -169.1 | 137 | 0 | 0 | 110.8 | ||||
| 60 | N | 36.4 | Very low | 34.7 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 66% | 0.658 | 75% | 0.75 | S | S | * | * | trans | -82.9 | 141.1 | -153.3 | -65.3 | -53.7 | 0 | 0 | 0 | 113.9 | M62 D63 | N60-M62 PolarHBondContact O-N 3.18Å; N60-D63 PolarHBondContact O-N 3.44Å | ||
| 61 | A | 38.7 | Very low | 34.8 | Very low | 88 Ų | 88 | 133.2 Ų | 133.2 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 4.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 62 | M | 41.4 | Very low | 35.4 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 72% | 0.719 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -20.2 | -179.5 | -149.5 | 73.2 | 168.7 | 0 | 0 | 112.8 | N60 | N60-M62 PolarHBondContact O-N 3.18Š|
| 63 | D | 39.7 | Very low | 35.7 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 58% | 0.578 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -90.2 | -14.2 | -174.3 | -135.6 | 47.6 | 0 | 0 | 0 | 113.3 | N60 R67 | N60-D63 PolarHBondContact O-N 3.44Å; D63-R67 PolarHBondContact O-NH1 3.35Å |
| 64 | A | 43.7 | Very low | 35.9 | Very low | 75 Ų | 75 | 130.9 Ų | 130.9 | 62% | 0.62 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -80.6 | -26.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L66 | A64-L66 VanDerWaalsContact C-N 3.32Å; A64-L66 PolarHBondContact O-N 2.89Å |
| 65 | L | 42.8 | Very low | 36.3 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -12.8 | -178.4 | -81.8 | 162.6 | 0 | 0 | 0 | 114 | ||
| 66 | L | 40.6 | Very low | 36.5 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 3.2 | -179.6 | -78.3 | 166.8 | 0 | 0 | 0 | 114.6 | A64 | A64-L66 VanDerWaalsContact C-N 3.32Å; A64-L66 PolarHBondContact O-N 2.89Å |
| 67 | R | 38.6 | Very low | 37.3 | Very low | 194 Ų | 194 | 137.1 Ų | 137.1 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -100.8 | -3.1 | 172.5 | -74.2 | -171.7 | -170.4 | 82.4 | 0.4 | 114.2 | D63 D69 | D63-R67 PolarHBondContact O-NH1 3.35Å; R67-D69 VanDerWaalsContact C-N 3.31Å; R67-D69 PolarHBondContact O-N 3.38Å |
| 68 | A | 38.7 | Very low | 37.6 | Very low | 89 Ų | 89 | 138.4 Ų | 138.4 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | trans | -89.6 | 61.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 69 | D | 37 | Very low | 37.6 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | -152.6 | 84.8 | 162.3 | -148.8 | 5.5 | 0 | 0 | 0 | 110.5 | R67 | R67-D69 VanDerWaalsContact C-N 3.31Å; R67-D69 PolarHBondContact O-N 3.38Å | ||
| 70 | H | 33.8 | Very low | 37.6 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 175.6 | 117.1 | 133.8 | -98.1 | -54.4 | 0 | 0 | 0 | 113.2 | ||
| 71 | S | 30.9 | Very low | 37.6 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | 83.8 | 142.9 | 147.1 | -68.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 72 | P | 43.2 | Very low | 37.5 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 66% | 0.662 | 74% | 0.741 | S | S | * | * | trans | -112.2 | 175.4 | -159.1 | 27.6 | -5.4 | 0 | 0 | 0 | 113.1 | ||||
| 73 | H | 34.1 | Very low | 37.7 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | trans | 84.4 | 97.3 | 171.1 | -55.8 | -78.8 | 0 | 0 | 0 | 116.1 | ||||
| 74 | L | 31.9 | Very low | 38 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | -168.7 | 110.1 | 110.5 | -114.6 | 97.5 | 0 | 0 | 0 | 107.5 | |||||
| 75 | F | 35.4 | Very low | 38.3 | Very low | 202 Ų | 202 | 142.3 Ų | 142.3 | 89% | 0.886 | 74% | 0.735 | S | S | * | * | trans | -81.8 | 134.9 | 159.1 | -90.8 | -94.9 | 0 | 0 | 0 | 106.5 | ||||
| 76 | D | 33 | Very low | 38.7 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | trans | -153.8 | 109.3 | 150.8 | -87.4 | -34.9 | 0 | 0 | 0 | 109.7 | D78 | D76-D78 VanDerWaalsContact C-N 3.29Å; D76-D78 PolarHBondContact O-N 3.32Å | ||
| 77 | E | 39.4 | Very low | 39.6 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 32.3 | -14.4 | 152.8 | -64 | -163 | 134.3 | 0 | 0 | 124.7 | M79 | E77-M79 VanDerWaalsContact C-N 3.3Å; E77-M79 PolarHBondContact O-N 2.94Å |
| 78 | D | 34.4 | Very low | 40.7 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -0.9 | -176.9 | -75.6 | -24.8 | 0 | 0 | 0 | 114.4 | D76 | D76-D78 VanDerWaalsContact C-N 3.29Å; D76-D78 PolarHBondContact O-N 3.32Å |
| 79 | M | 36.9 | Very low | 42.5 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -11 | -176.4 | -151.9 | 171.9 | -177.8 | 0 | 0 | 113.9 | E77 | E77-M79 VanDerWaalsContact C-N 3.3Å; E77-M79 PolarHBondContact O-N 2.94Å |
| 80 | L | 38.9 | Very low | 45 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 71% | 0.707 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -18.7 | -177.8 | -78.5 | 165.4 | 0 | 0 | 0 | 113.9 | ||
| 81 | D | 36.9 | Very low | 47.8 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 75% | 0.749 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -12.5 | 177.4 | -78.6 | -13.7 | 0 | 0 | 0 | 113.3 | ||
| 82 | M | 36.6 | Very low | 50.9 | Low | 142 Ų | 142 | 126.2 Ų | 126.2 | 70% | 0.7 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -85.8 | -22.8 | 176 | -84.3 | -168.9 | 88.1 | 0 | 0 | 114.4 | T86 | M82-T86 PolarHBondContact O-OG1 3.05Å |
| 83 | D | 45 | Very low | 53.4 | Low | 97 Ų | 97 | 123.9 Ų | 123.9 | 52% | 0.519 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -86.3 | -25.6 | -173.6 | -79.4 | -13.5 | 0 | 0 | 0 | 113.6 | T86 E87 | D83-T86 WeakPolarHBondContact CA-OG1 3.22Å; D83-T86 PolarHBondContact O-OG1 3.44Å; D83-E87 PolarHBondContact O-N 2.77Å |
| 84 | M | 45.7 | Very low | 56.5 | Low | 138 Ų | 138 | 115.8 Ų | 115.8 | 68% | 0.68 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -74.3 | -38.1 | 177.6 | -90.3 | -79.5 | -49.3 | 0 | 0 | 113 | T86 | M84-T86 VanDerWaalsContact C-N 3.33Å |
| 85 | D | 49.6 | Very low | 59.7 | Low | 112 Ų | 112 | 108.3 Ų | 108.3 | 60% | 0.599 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -76.1 | -22.1 | 180 | -78.9 | -13.2 | 0 | 0 | 0 | 112.6 | S88 N89 | D85-S88 PolarHBondContact O-OG 2.77Å; D85-S88 VanDerWaalsContact O-OG 3.08Å; D85-N89 PolarHBondContact O-ND2 3.17Å |
| 86 | T | 53.1 | Low | 62.6 | Low | 89 Ų | 89 | 98.7 Ų | 98.7 | 55% | 0.546 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -81.5 | -39.2 | 178.5 | 30 | 0 | 0 | 0 | 0 | 112.8 | M82 D83 M84 S88 N89 | M82-T86 PolarHBondContact O-OG1 3.05Å; D83-T86 WeakPolarHBondContact CA-OG1 3.22Å; D83-T86 PolarHBondContact O-OG1 3.44Å; M84-T86 VanDerWaalsContact C-N 3.33Å; T86-S88 PolarHBondContact O-N 3.5Å; T86-N89 PolarHBondContact O-N 3.39Å |
| 87 | E | 58.3 | Low | 65.7 | Low | 134 Ų | 134 | 93.8 Ų | 93.8 | 63% | 0.626 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.9 | -36 | 175.4 | -75.4 | -169 | 163.4 | 0 | 0 | 112.7 | D83 N89 E90 | D83-E87 PolarHBondContact O-N 2.77Å; E87-N89 VanDerWaalsContact C-N 3.25Å; E87-N89 PolarHBondContact O-N 2.84Å; E87-E90 WeakPolarHBondContact O-CB 3.33Å; E87-E90 PolarHBondContact O-N 2.64Å |
| 88 | S | 61.9 | Low | 68.2 | Low | 41 Ų | 41 | 88 Ų | 88 | 29% | 0.287 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66 | -27.4 | 179.4 | 69.1 | 0 | 0 | 0 | 0 | 113.6 | D85 T86 G106 | D85-S88 PolarHBondContact O-OG 2.77Å; D85-S88 VanDerWaalsContact O-OG 3.08Å; T86-S88 PolarHBondContact O-N 3.5Å; S88-G106 WeakPolarHBondContact O-CA 3.41Å; S88-G106 PolarHBondContact O-N 3.1Å |
| 89 | N | 76.4 | Confident | 71.2 | Confident | 90 Ų | 90 | 83.6 Ų | 83.6 | 48% | 0.481 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -1.3 | -179.3 | -77.1 | -52.9 | 0 | 0 | 0 | 113.9 | D85 T86 E87 R91 Q104 | D85-N89 PolarHBondContact O-ND2 3.17Å; T86-N89 PolarHBondContact O-N 3.39Å; E87-N89 VanDerWaalsContact C-N 3.25Å; E87-N89 PolarHBondContact O-N 2.84Å; N89-R91 PolarHBondContact O-N 3.41Å; N89-Q104 PolarHBondContact OD1-NE2 2.87Å |
| 90 | E | 88.8 | Confident | 74.1 | Confident | 114 Ų | 114 | 82.9 Ų | 82.9 | 53% | 0.533 | 43% | 0.428 | S | S | . | . | trans | -61.9 | 133 | 177.1 | -169 | 178.3 | -175.6 | 0 | 0 | 110.6 | E87 Q104 L105 | E87-E90 WeakPolarHBondContact O-CB 3.33Å; E87-E90 PolarHBondContact O-N 2.64Å; E90-Q104 CarbonylContact O-C 3.6Å; E90-Q104 WeakPolarHBondContact O-CA 3.49Å; E90-L105 HydrophobicContact CB-CB 4.22Å; E90-L105 HydrophobicContact CB-CD2 4.41Å; E90-L105 WeakPolarHBondContact O-CB 3.37Å; E90-L105 PolarHBondContact O-N 2.75Å | ||
| 91 | R | 93.3 | Very high | 76.8 | Confident | 164 Ų | 164 | 77.7 Ų | 77.7 | 62% | 0.619 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 131.7 | -178.1 | -61.3 | 176.1 | 86.5 | -150.3 | 5.4 | 110 | N89 E102 T103 | N89-R91 PolarHBondContact O-N 3.41Å; R91-E102 HydrophobicContact CB-CG 4.46Å; R91-E102 IonicContact CZ-OE1 2.72Å; R91-E102 IonicContact CZ-OE2 3.21Å; R91-E102 IonicContact NE-OE1 3.05Å; R91-E102 PolarHBondContact NE-OE1 2.91Å; R91-E102 IonicContact NH1-OE1 3.5Å; R91-E102 PolarHBondContact NH1-OE1 2.94Å; R91-E102 IonicContact NH1-OE2 3.84Å; R91-E102 IonicContact NH2-OE1 3.63Å; R91-E102 PolarHBondContact NH2-OE1 3.29Å; R91-E102 VanDerWaalsContact NH2-OE1 3.1Å; R91-E102 IonicContact NH2-OE2 2.65Å; R91-E102 PolarHBondContact NH2-OE2 2.76Å; R91-T103 CarbonylContact C-O 3.51Å; R91-T103 WeakPolarHBondContact CA-O 3.4Å |
| 92 | V | 95.4 | Very high | 79.7 | Confident | 13 Ų | 13 | 74.7 Ų | 74.7 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 126.5 | 178.6 | -179 | 0 | 0 | 0 | 0 | 109.3 | I94 E102 T103 L105 L108 Y133 | V92-I94 HydrophobicContact CG1-CG1 4.12Å; V92-E102 WeakPolarHBondContact O-CA 3.41Å; V92-T103 HydrophobicContact CB-CG2 4.47Å; V92-T103 PolarHBondContact N-O 2.79Å; V92-T103 PolarHBondContact O-N 3.1Å; V92-T103 VanDerWaalsContact O-N 3.1Å; V92-L105 HydrophobicContact CG2-CB 3.91Å; V92-L105 HydrophobicContact CG2-CD1 3.87Å; V92-L105 HydrophobicContact CG2-CG 4.48Å; V92-L108 HydrophobicContact CB-CD1 4.35Å; V92-L108 HydrophobicContact CG1-CD1 4.14Å; V92-L108 HydrophobicContact CG2-CD1 4.44Å; V92-Y133 HydrophobicContact CG1-CD2 3.59Å; V92-Y133 HydrophobicContact CG1-CE2 3.59Å |
| 93 | L | 97.4 | Very high | 82.5 | Confident | 54 Ų | 54 | 68.5 Ų | 68.5 | 28% | 0.283 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 128.1 | 174 | -74.9 | 163.2 | 0 | 0 | 0 | 110.3 | Y101 E102 E132 Y133 | L93-Y101 WeakPolarHBondContact CA-O 3.48Å; L93-E102 HydrophobicContact CD2-CB 4.09Å; L93-E102 HydrophobicContact CD2-CG 4.03Å; L93-E132 HydrophobicContact CB-CB 3.84Å; L93-E132 CarbonylContact O-C 3.59Å; L93-E132 WeakPolarHBondContact O-CA 3.37Å; L93-Y133 PolarHBondContact O-N 2.79Å |
| 94 | I | 98.2 | Very high | 85 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 119 | 178.3 | -52.9 | 174.4 | 0 | 0 | 0 | 108.4 | V92 I96 Y101 T103 L108 L116 Y133 F135 F142 | V92-I94 HydrophobicContact CG1-CG1 4.12Å; I94-I96 HydrophobicContact CG2-CD1 3.66Å; I94-I96 HydrophobicContact CG2-CG1 4.39Å; I94-Y101 PolarHBondContact N-O 3.31Å; I94-Y101 WeakPolarHBondContact O-CB 3.47Å; I94-Y101 PolarHBondContact O-N 3.4Å; I94-T103 HydrophobicContact CD1-CG2 4.46Å; I94-L108 HydrophobicContact CD1-CD1 4.33Å; I94-L116 HydrophobicContact CD1-CD1 4.25Å; I94-L116 HydrophobicContact CD1-CD2 4.34Å; I94-Y133 CarbonylContact C-O 3.6Å; I94-Y133 WeakPolarHBondContact CA-O 3.41Å; I94-F135 HydrophobicContact CG2-CD2 3.82Å; I94-F135 HydrophobicContact CG2-CE2 3.86Å; I94-F142 HydrophobicContact CB-CE1 4.31Å; I94-F142 HydrophobicContact CB-CZ 4.21Å; I94-F142 HydrophobicContact CD1-CE1 4.39Å; I94-F142 HydrophobicContact CD1-CZ 3.85Å; I94-F142 HydrophobicContact CG2-CE1 4.03Å; I94-F142 HydrophobicContact CG2-CE2 4.29Å; I94-F142 HydrophobicContact CG2-CZ 3.62Å |
| 95 | N | 98.1 | Very high | 87.3 | Confident | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.016 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 113.3 | -178.9 | -178.1 | -6.7 | 0 | 0 | 0 | 110.4 | G98 L99 R100 E132 Y133 F134 F135 | N95-G98 VanDerWaalsContact OD1-C 3.29Å; N95-G98 WeakPolarHBondContact OD1-CA 3.3Å; N95-G98 PolarHBondContact OD1-N 3.09Å; N95-L99 CarbonylContact C-O 3.57Å; N95-L99 WeakPolarHBondContact CA-O 3.48Å; N95-R100 HydrophobicContact CB-CG 4.38Å; N95-E132 HydrophobicContact CB-CG 4.18Å; N95-E132 PolarHBondContact ND2-OE1 3.4Å; N95-Y133 PolarHBondContact N-O 3.15Å; N95-F134 HydrophobicContact CB-CD2 4.09Å; N95-F134 CarbonylContact O-C 3.55Å; N95-F134 WeakPolarHBondContact O-CA 3.44Å; N95-F135 PolarHBondContact O-N 3.11Å |
| 96 | I | 98.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 101.8 | 178.1 | -47.8 | -58.5 | 0 | 0 | 0 | 108.8 | I94 G98 L99 Y101 F135 R139 F142 Y173 | I94-I96 HydrophobicContact CG2-CD1 3.66Å; I94-I96 HydrophobicContact CG2-CG1 4.39Å; I96-G98 PolarHBondContact O-N 3.32Å; I96-L99 PolarHBondContact N-O 3.08Å; I96-L99 WeakPolarHBondContact O-CB 3.46Å; I96-L99 PolarHBondContact O-N 2.87Å; I96-Y101 HydrophobicContact CB-CE2 4.3Å; I96-Y101 HydrophobicContact CG1-CD2 3.84Å; I96-Y101 HydrophobicContact CG1-CE2 3.93Å; I96-F135 CarbonylContact C-O 3.54Å; I96-F135 WeakPolarHBondContact CA-O 3.43Å; I96-F135 HydrophobicContact CD1-CB 3.75Å; I96-F135 HydrophobicContact CD1-CD2 3.77Å; I96-F135 HydrophobicContact CD1-CG 4.08Å; I96-R139 HydrophobicContact CG2-CG 4.33Å; I96-R139 WeakPolarHBondContact O-CG 3.48Å; I96-F142 HydrophobicContact CD1-CB 4.47Å; I96-F142 HydrophobicContact CD1-CD1 4.16Å; I96-F142 HydrophobicContact CD1-CD2 3.59Å; I96-F142 HydrophobicContact CD1-CE1 4.28Å; I96-F142 HydrophobicContact CD1-CE2 3.74Å; I96-F142 HydrophobicContact CD1-CG 3.82Å; I96-F142 HydrophobicContact CD1-CZ 4.09Å; I96-F142 HydrophobicContact CG1-CB 3.82Å; I96-F142 HydrophobicContact CG1-CD1 3.66Å; I96-F142 HydrophobicContact CG1-CD2 3.82Å; I96-F142 HydrophobicContact CG1-CE1 4.13Å; I96-F142 HydrophobicContact CG1-CE2 4.3Å; I96-F142 HydrophobicContact CG1-CG 3.47Å; I96-F142 VanDerWaalsContact CG1-CG 3.47Å; I96-F142 HydrophobicContact CG1-CZ 4.44Å; I96-F142 HydrophobicContact CG2-CB 4.37Å; I96-Y173 WeakPolarHBondContact CD1-OH 3.4Å |
| 97 | A | 96.3 | Very high | 91.4 | Very high | 30 Ų | 30 | 55.7 Ų | 55.7 | 25% | 0.248 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 43.6 | 42.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F135 R139 | A97-F135 PolarHBondContact N-O 2.82Å; A97-R139 HydrophobicContact CB-CG 3.84Å; A97-R139 PolarHBondContact O-NH1 3.12Å |
| 98 | G | 93.8 | Very high | 93.2 | Very high | 48 Ų | 48 | 49.3 Ų | 49.3 | 50% | 0.495 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -11.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | N95 I96 | N95-G98 VanDerWaalsContact OD1-C 3.29Å; N95-G98 WeakPolarHBondContact OD1-CA 3.3Å; N95-G98 PolarHBondContact OD1-N 3.09Å; I96-G98 PolarHBondContact O-N 3.32Å |
| 99 | L | 96.6 | Very high | 94.8 | Very high | 61 Ų | 61 | 50.7 Ų | 50.7 | 32% | 0.319 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 118.9 | 173.3 | -172 | 56.9 | 0 | 0 | 0 | 110 | N95 I96 Y101 R139 | N95-L99 CarbonylContact C-O 3.57Å; N95-L99 WeakPolarHBondContact CA-O 3.48Å; I96-L99 PolarHBondContact N-O 3.08Å; I96-L99 WeakPolarHBondContact O-CB 3.46Å; I96-L99 PolarHBondContact O-N 2.87Å; L99-Y101 HydrophobicContact CB-CE2 4.16Å; L99-Y101 HydrophobicContact CD2-CE2 3.67Å; L99-Y101 VanDerWaalsContact CD2-OH 3.23Å; L99-Y101 WeakPolarHBondContact CD2-OH 3.4Å; L99-Y101 HydrophobicContact CG-CD2 4.36Å; L99-Y101 HydrophobicContact CG-CE2 3.63Å; L99-R139 HydrophobicContact CD2-CB 4.31Å |
| 100 | R | 96.8 | Very high | 95.7 | Very high | 134 Ų | 134 | 51.5 Ų | 51.5 | 51% | 0.506 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 130.1 | -178.6 | -66.4 | -168.9 | 178.9 | 95.3 | 2.5 | 111.6 | N95 R130 E132 | N95-R100 HydrophobicContact CB-CG 4.38Å; R100-R130 VanDerWaalsContact NH2-NH2 3.15Å; R100-E132 IonicContact CZ-OE2 3.78Å; R100-E132 IonicContact NE-OE2 2.64Å; R100-E132 PolarHBondContact NE-OE2 3.47Å; R100-E132 IonicContact NH2-OE2 3.73Å |
| 101 | Y | 97.6 | Very high | 96.1 | Very high | 27 Ų | 27 | 48.4 Ų | 48.4 | 11% | 0.106 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 152.6 | 171.7 | -69.1 | -89.6 | 0 | 0 | 0 | 109.4 | L93 I94 I96 L99 F142 D143 L146 | L93-Y101 WeakPolarHBondContact CA-O 3.48Å; I94-Y101 PolarHBondContact N-O 3.31Å; I94-Y101 WeakPolarHBondContact O-CB 3.47Å; I94-Y101 PolarHBondContact O-N 3.4Å; I96-Y101 HydrophobicContact CB-CE2 4.3Å; I96-Y101 HydrophobicContact CG1-CD2 3.84Å; I96-Y101 HydrophobicContact CG1-CE2 3.93Å; L99-Y101 HydrophobicContact CB-CE2 4.16Å; L99-Y101 HydrophobicContact CD2-CE2 3.67Å; L99-Y101 VanDerWaalsContact CD2-OH 3.23Å; L99-Y101 WeakPolarHBondContact CD2-OH 3.4Å; L99-Y101 HydrophobicContact CG-CD2 4.36Å; L99-Y101 HydrophobicContact CG-CE2 3.63Å; Y101-F142 AromaticContact CD1-CD1 3.89Å; Y101-F142 HydrophobicContact CD1-CD1 3.89Å; Y101-F142 HydrophobicContact CD1-CE1 4.23Å; Y101-F142 AromaticContact CD2-CD1 3.39Å; Y101-F142 HydrophobicContact CD2-CD1 3.39Å; Y101-F142 AromaticContact CD2-CE1 3.84Å; Y101-F142 HydrophobicContact CD2-CE1 3.84Å; Y101-F142 HydrophobicContact CD2-CG 4.38Å; Y101-F142 HydrophobicContact CE1-CD1 4.04Å; Y101-F142 HydrophobicContact CE2-CB 4.1Å; Y101-F142 AromaticContact CE2-CD1 3.56Å; Y101-F142 HydrophobicContact CE2-CD1 3.56Å; Y101-F142 HydrophobicContact CE2-CE1 4.45Å; Y101-F142 HydrophobicContact CE2-CG 4.23Å; Y101-F142 AromaticContact CG-CD1 3.55Å; Y101-F142 HydrophobicContact CG-CD1 3.55Å; Y101-F142 AromaticContact CG-CE1 3.7Å; Y101-F142 HydrophobicContact CG-CE1 3.7Å; Y101-F142 AromaticContact CZ-CD1 3.88Å; Y101-D143 WeakPolarHBondContact CE1-OD1 3.32Å; Y101-D143 VanDerWaalsContact CZ-OD1 3.27Å; Y101-D143 PolarHBondContact OH-OD1 2.68Å; Y101-L146 HydrophobicContact CD1-CD2 3.71Å; Y101-L146 HydrophobicContact CG-CD2 4.29Å |
| 102 | E | 96.4 | Very high | 96.2 | Very high | 76 Ų | 76 | 44.2 Ų | 44.2 | 36% | 0.355 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 135.9 | 179.4 | -167.7 | 165.8 | -162.7 | 0 | 0 | 109.8 | R91 V92 L93 | R91-E102 HydrophobicContact CB-CG 4.46Å; R91-E102 IonicContact CZ-OE1 2.72Å; R91-E102 IonicContact CZ-OE2 3.21Å; R91-E102 IonicContact NE-OE1 3.05Å; R91-E102 PolarHBondContact NE-OE1 2.91Å; R91-E102 IonicContact NH1-OE1 3.5Å; R91-E102 PolarHBondContact NH1-OE1 2.94Å; R91-E102 IonicContact NH1-OE2 3.84Å; R91-E102 IonicContact NH2-OE1 3.63Å; R91-E102 PolarHBondContact NH2-OE1 3.29Å; R91-E102 VanDerWaalsContact NH2-OE1 3.1Å; R91-E102 IonicContact NH2-OE2 2.65Å; R91-E102 PolarHBondContact NH2-OE2 2.76Å; V92-E102 WeakPolarHBondContact O-CA 3.41Å; L93-E102 HydrophobicContact CD2-CB 4.09Å; L93-E102 HydrophobicContact CD2-CG 4.03Å |
| 103 | T | 96.3 | Very high | 96.2 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 8% | 0.08 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 173 | 179.3 | -167.2 | 0 | 0 | 0 | 0 | 110.2 | R91 V92 I94 T107 L108 L146 | R91-T103 CarbonylContact C-O 3.51Å; R91-T103 WeakPolarHBondContact CA-O 3.4Å; V92-T103 HydrophobicContact CB-CG2 4.47Å; V92-T103 PolarHBondContact N-O 2.79Å; V92-T103 PolarHBondContact O-N 3.1Å; V92-T103 VanDerWaalsContact O-N 3.1Å; I94-T103 HydrophobicContact CD1-CG2 4.46Å; T103-T107 WeakPolarHBondContact OG1-CB 3.46Å; T103-L108 HydrophobicContact CG2-CD1 4.13Å; T103-L108 HydrophobicContact CG2-CD2 3.97Å; T103-L108 HydrophobicContact CG2-CG 3.92Å; T103-L146 HydrophobicContact CG2-CD1 4.04Å |
| 104 | Q | 96.1 | Very high | 96.2 | Very high | 90 Ų | 90 | 47.9 Ų | 47.9 | 42% | 0.421 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 148.1 | 171.3 | -65.8 | 175.2 | -28.8 | 0 | 0 | 110.7 | N89 E90 G106 T107 L108 | N89-Q104 PolarHBondContact OD1-NE2 2.87Å; E90-Q104 CarbonylContact O-C 3.6Å; E90-Q104 WeakPolarHBondContact O-CA 3.49Å; Q104-G106 PolarHBondContact O-N 2.87Å; Q104-T107 VanDerWaalsContact O-CB 3.25Å; Q104-T107 WeakPolarHBondContact O-CB 3.26Å; Q104-T107 PolarHBondContact O-N 2.85Å; Q104-T107 PolarHBondContact O-OG1 2.81Å; Q104-L108 PolarHBondContact O-N 3.19Å |
| 105 | L | 94.1 | Very high | 96.2 | Very high | 23 Ų | 23 | 48 Ų | 48 | 12% | 0.12 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -38.9 | 175.3 | -175.9 | 61.3 | 0 | 0 | 0 | 110.8 | E90 V92 T107 L108 N109 | E90-L105 HydrophobicContact CB-CB 4.22Å; E90-L105 HydrophobicContact CB-CD2 4.41Å; E90-L105 WeakPolarHBondContact O-CB 3.37Å; E90-L105 PolarHBondContact O-N 2.75Å; V92-L105 HydrophobicContact CG2-CB 3.91Å; V92-L105 HydrophobicContact CG2-CD1 3.87Å; V92-L105 HydrophobicContact CG2-CG 4.48Å; L105-T107 PolarHBondContact O-N 2.74Å; L105-L108 PolarHBondContact O-N 3.16Å; L105-L108 VanDerWaalsContact O-N 3.1Å; L105-N109 VanDerWaalsContact O-CG 3.28Å; L105-N109 PolarHBondContact O-N 3.33Å |
| 106 | G | 94.1 | Very high | 96.2 | Very high | 28 Ų | 28 | 48 Ų | 48 | 29% | 0.289 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.1 | -34.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S88 Q104 N109 Q110 | S88-G106 WeakPolarHBondContact O-CA 3.41Å; S88-G106 PolarHBondContact O-N 3.1Å; Q104-G106 PolarHBondContact O-N 2.87Å; G106-N109 PolarHBondContact O-N 2.81Å; G106-Q110 PolarHBondContact O-N 2.84Å |
| 107 | T | 95.8 | Very high | 96 | Very high | 25 Ų | 25 | 48 Ų | 48 | 15% | 0.153 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 175.9 | -49.1 | 0 | 0 | 0 | 0 | 111.8 | T103 Q104 L105 Q110 Q150 | T103-T107 WeakPolarHBondContact OG1-CB 3.46Å; Q104-T107 VanDerWaalsContact O-CB 3.25Å; Q104-T107 WeakPolarHBondContact O-CB 3.26Å; Q104-T107 PolarHBondContact O-N 2.85Å; Q104-T107 PolarHBondContact O-OG1 2.81Å; L105-T107 PolarHBondContact O-N 2.74Å; T107-Q110 WeakPolarHBondContact O-CB 3.46Å; T107-Q150 HydrophobicContact CG2-CG 3.99Å |
| 108 | L | 96.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.5 | -40 | 178.6 | -59.9 | -178.7 | 0 | 0 | 0 | 111.6 | V92 I94 T103 Q104 L105 Q110 F111 L116 G117 Y149 | V92-L108 HydrophobicContact CB-CD1 4.35Å; V92-L108 HydrophobicContact CG1-CD1 4.14Å; V92-L108 HydrophobicContact CG2-CD1 4.44Å; I94-L108 HydrophobicContact CD1-CD1 4.33Å; T103-L108 HydrophobicContact CG2-CD1 4.13Å; T103-L108 HydrophobicContact CG2-CD2 3.97Å; T103-L108 HydrophobicContact CG2-CG 3.92Å; Q104-L108 PolarHBondContact O-N 3.19Å; L105-L108 PolarHBondContact O-N 3.16Å; L105-L108 VanDerWaalsContact O-N 3.1Å; L108-Q110 PolarHBondContact O-N 2.86Å; L108-Q110 VanDerWaalsContact O-N 3.11Å; L108-F111 PolarHBondContact O-N 3.03Å; L108-F111 VanDerWaalsContact O-N 3.15Å; L108-L116 HydrophobicContact CD1-CB 4.49Å; L108-L116 HydrophobicContact CD2-CB 4.09Å; L108-G117 VanDerWaalsContact O-CA 3.3Å; L108-G117 WeakPolarHBondContact O-CA 3.31Å; L108-Y149 HydrophobicContact CD2-CD1 4.01Å; L108-Y149 HydrophobicContact CD2-CD2 4.35Å; L108-Y149 HydrophobicContact CD2-CE1 4.3Å; L108-Y149 HydrophobicContact CD2-CG 4.05Å |
| 109 | N | 94.6 | Very high | 96.1 | Very high | 70 Ų | 70 | 50.1 Ų | 50.1 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.7 | -13.3 | 179.9 | -69.5 | -9.5 | 0 | 0 | 0 | 113.2 | L105 G106 F111 P112 | L105-N109 VanDerWaalsContact O-CG 3.28Å; L105-N109 PolarHBondContact O-N 3.33Å; G106-N109 PolarHBondContact O-N 2.81Å; N109-F111 PolarHBondContact O-N 2.84Å; N109-P112 WeakPolarHBondContact O-CD 3.26Å; N109-P112 WeakPolarHBondContact O-CG 3.43Å |
| 110 | Q | 95.1 | Very high | 96.1 | Very high | 106 Ų | 106 | 50.3 Ų | 50.3 | 50% | 0.495 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -25.5 | 172.2 | -170.5 | 172.4 | 14 | 0 | 0 | 112.9 | G106 T107 L108 Y149 | G106-Q110 PolarHBondContact O-N 2.84Å; T107-Q110 WeakPolarHBondContact O-CB 3.46Å; L108-Q110 PolarHBondContact O-N 2.86Å; L108-Q110 VanDerWaalsContact O-N 3.11Å; Q110-Y149 PolarHBondContact OE1-O 3.31Å |
| 111 | F | 97.1 | Very high | 96.1 | Very high | 49 Ų | 49 | 46.7 Ų | 46.7 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -127.6 | 75.4 | 179.3 | -62.8 | -81.8 | 0 | 0 | 0 | 111.5 | L108 N109 D113 T114 G117 F148 Y149 | L108-F111 PolarHBondContact O-N 3.03Å; L108-F111 VanDerWaalsContact O-N 3.15Å; N109-F111 PolarHBondContact O-N 2.84Å; F111-D113 VanDerWaalsContact C-N 3.25Å; F111-D113 PolarHBondContact O-N 3.45Å; F111-D113 VanDerWaalsContact O-N 3.17Å; F111-T114 HydrophobicContact CB-CG2 3.65Å; F111-T114 WeakPolarHBondContact O-CB 3.23Å; F111-T114 PolarHBondContact O-N 3.49Å; F111-T114 PolarHBondContact O-OG1 3.28Å; F111-G117 WeakPolarHBondContact O-CA 3.46Å; F111-F148 HydrophobicContact CB-CE1 4.35Å; F111-F148 AromaticContact CD1-CE1 3.91Å; F111-F148 HydrophobicContact CD1-CE1 3.91Å; F111-F148 AromaticContact CD1-CZ 3.85Å; F111-F148 HydrophobicContact CD1-CZ 3.85Å; F111-F148 HydrophobicContact CD2-CD1 4.32Å; F111-F148 AromaticContact CD2-CE1 3.7Å; F111-F148 HydrophobicContact CD2-CE1 3.7Å; F111-F148 HydrophobicContact CD2-CZ 4.35Å; F111-F148 HydrophobicContact CE1-CE1 4.1Å; F111-F148 AromaticContact CE1-CZ 3.76Å; F111-F148 HydrophobicContact CE1-CZ 3.76Å; F111-F148 HydrophobicContact CE2-CD1 4.38Å; F111-F148 AromaticContact CE2-CE1 3.91Å; F111-F148 HydrophobicContact CE2-CE1 3.91Å; F111-F148 HydrophobicContact CE2-CZ 4.27Å; F111-F148 AromaticContact CG-CE1 3.71Å; F111-F148 HydrophobicContact CG-CE1 3.71Å; F111-F148 HydrophobicContact CG-CZ 4.15Å; F111-F148 HydrophobicContact CZ-CE1 4.11Å; F111-F148 AromaticContact CZ-CZ 3.99Å; F111-F148 HydrophobicContact CZ-CZ 3.99Å; F111-Y149 HydrophobicContact CB-CD1 4.24Å; F111-Y149 HydrophobicContact CB-CE1 3.94Å; F111-Y149 AromaticContact CD2-CD1 3.74Å; F111-Y149 HydrophobicContact CD2-CD1 3.74Å; F111-Y149 HydrophobicContact CD2-CE1 4.25Å; F111-Y149 HydrophobicContact CD2-CG 4.39Å; F111-Y149 HydrophobicContact CG-CD1 4.44Å |
| 112 | P | 96.2 | Very high | 96 | Very high | 77 Ų | 77 | 46 Ų | 46 | 50% | 0.5 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -27.8 | -171.3 | -23 | 33.3 | 0 | 0 | 0 | 114.7 | N109 T114 D118 | N109-P112 WeakPolarHBondContact O-CD 3.26Å; N109-P112 WeakPolarHBondContact O-CG 3.43Å; P112-T114 PolarHBondContact O-N 3.1Å; P112-D118 VanDerWaalsContact O-CB 3.31Å; P112-D118 WeakPolarHBondContact O-CB 3.47Å; P112-D118 PolarHBondContact O-N 2.84Å |
| 113 | D | 95.8 | Very high | 95.9 | Very high | 140 Ų | 140 | 47.1 Ų | 47.1 | 75% | 0.749 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -10.4 | -176.4 | -62.9 | -45.7 | 0 | 0 | 0 | 113.6 | F111 K121 | F111-D113 VanDerWaalsContact C-N 3.25Å; F111-D113 PolarHBondContact O-N 3.45Å; F111-D113 VanDerWaalsContact O-N 3.17Å; D113-K121 PolarHBondContact O-NZ 3.07Å |
| 114 | T | 97.5 | Very high | 95.9 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -82.8 | 166.1 | -177.3 | 66.3 | 0 | 0 | 0 | 0 | 112.6 | F111 P112 L116 G117 D118 Y149 Q174 L175 | F111-T114 HydrophobicContact CB-CG2 3.65Å; F111-T114 WeakPolarHBondContact O-CB 3.23Å; F111-T114 PolarHBondContact O-N 3.49Å; F111-T114 PolarHBondContact O-OG1 3.28Å; P112-T114 PolarHBondContact O-N 3.1Å; T114-L116 VanDerWaalsContact C-N 3.32Å; T114-L116 PolarHBondContact O-N 3.4Å; T114-G117 PolarHBondContact O-N 2.97Å; T114-G117 WeakPolarHBondContact OG1-CA 3.25Å; T114-G117 PolarHBondContact OG1-N 2.78Å; T114-D118 WeakPolarHBondContact O-CB 3.46Å; T114-D118 PolarHBondContact O-N 3.3Å; T114-Y149 WeakPolarHBondContact CB-OH 3.44Å; T114-Y149 HydrophobicContact CG2-CE1 4.43Å; T114-Y149 WeakPolarHBondContact OG1-CE1 3.24Å; T114-Y149 PolarHBondContact OG1-OH 3.34Å; T114-Q174 WeakPolarHBondContact CA-O 3.29Å; T114-L175 HydrophobicContact CG2-CD2 4.21Å |
| 115 | L | 97.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -42.5 | 178.2 | -175.4 | 153 | 0 | 0 | 0 | 112 | K121 R122 Y125 F135 F172 Y173 | L115-K121 HydrophobicContact CG-CB 4.48Å; L115-R122 WeakPolarHBondContact O-CB 3.47Å; L115-R122 PolarHBondContact O-N 3.21Å; L115-Y125 HydrophobicContact CD1-CE2 4.04Å; L115-Y125 HydrophobicContact CD2-CD2 4.26Å; L115-Y125 HydrophobicContact CD2-CE2 4.16Å; L115-Y125 HydrophobicContact CG-CE2 4.42Å; L115-F135 HydrophobicContact CD2-CE1 3.62Å; L115-F135 HydrophobicContact CD2-CZ 3.63Å; L115-F172 HydrophobicContact CD1-CE1 4.04Å; L115-F172 HydrophobicContact CD1-CZ 4.04Å; L115-F172 WeakPolarHBondContact CD1-O 3.06Å; L115-Y173 VanDerWaalsContact CB-O 3.31Å; L115-Y173 WeakPolarHBondContact CB-O 3.38Å; L115-Y173 HydrophobicContact CD2-CD1 4.37Å; L115-Y173 PolarHBondContact N-O 3.48Å |
| 116 | L | 97.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -26.8 | -177.3 | -62.3 | 174.1 | 0 | 0 | 0 | 112.5 | I94 L108 T114 R122 F135 F142 Y149 Y173 | I94-L116 HydrophobicContact CD1-CD1 4.25Å; I94-L116 HydrophobicContact CD1-CD2 4.34Å; L108-L116 HydrophobicContact CD1-CB 4.49Å; L108-L116 HydrophobicContact CD2-CB 4.09Å; T114-L116 VanDerWaalsContact C-N 3.32Å; T114-L116 PolarHBondContact O-N 3.4Å; L116-R122 WeakPolarHBondContact O-CD 3.41Å; L116-R122 PolarHBondContact O-NH1 3.03Å; L116-F135 HydrophobicContact CD2-CE2 3.79Å; L116-F135 HydrophobicContact CD2-CZ 3.62Å; L116-F142 HydrophobicContact CD1-CE2 3.89Å; L116-F142 HydrophobicContact CD1-CZ 3.94Å; L116-Y149 HydrophobicContact CB-CE1 4.45Å; L116-Y149 HydrophobicContact CD1-CE2 4.09Å; L116-Y173 HydrophobicContact CD1-CD1 4.01Å; L116-Y173 HydrophobicContact CD1-CE1 4.21Å; L116-Y173 HydrophobicContact CD2-CD1 4.45Å; L116-Y173 HydrophobicContact CD2-CE1 4.38Å; L116-Y173 HydrophobicContact CG-CD1 4.01Å; L116-Y173 HydrophobicContact CG-CE1 4.35Å |
| 117 | G | 95.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -32 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | L108 F111 T114 P119 R122 | L108-G117 VanDerWaalsContact O-CA 3.3Å; L108-G117 WeakPolarHBondContact O-CA 3.31Å; F111-G117 WeakPolarHBondContact O-CA 3.46Å; T114-G117 PolarHBondContact O-N 2.97Å; T114-G117 WeakPolarHBondContact OG1-CA 3.25Å; T114-G117 PolarHBondContact OG1-N 2.78Å; G117-P119 WeakPolarHBondContact O-CD 3.45Å; G117-R122 PolarHBondContact O-NH1 3.04Å |
| 118 | D | 96.8 | Very high | 96.1 | Very high | 44 Ų | 44 | 60.7 Ų | 60.7 | 24% | 0.235 | 32% | 0.321 | C | S | . | . | trans | -83.8 | 115.7 | 178.8 | -172.4 | -24.1 | 0 | 0 | 0 | 111.8 | P112 T114 A120 K121 R122 | P112-D118 VanDerWaalsContact O-CB 3.31Å; P112-D118 WeakPolarHBondContact O-CB 3.47Å; P112-D118 PolarHBondContact O-N 2.84Å; T114-D118 WeakPolarHBondContact O-CB 3.46Å; T114-D118 PolarHBondContact O-N 3.3Å; D118-A120 VanDerWaalsContact C-N 3.26Å; D118-A120 PolarHBondContact O-N 2.64Å; D118-A120 WeakPolarHBondContact OD1-CA 3.34Å; D118-A120 WeakPolarHBondContact OD1-CB 3.36Å; D118-A120 PolarHBondContact OD1-N 2.81Å; D118-K121 HydrophobicContact CB-CB 3.95Å; D118-K121 HydrophobicContact CB-CD 3.71Å; D118-K121 HydrophobicContact CB-CG 3.77Å; D118-K121 PolarHBondContact O-N 2.79Å; D118-K121 VanDerWaalsContact O-N 3.15Å; D118-K121 VanDerWaalsContact OD2-CE 3.22Å; D118-K121 WeakPolarHBondContact OD2-CE 3.41Å; D118-K121 WeakPolarHBondContact OD2-CG 3.07Å; D118-R122 WeakPolarHBondContact O-CG 3.34Å; D118-R122 PolarHBondContact O-N 3.39Å | ||
| 119 | P | 94.9 | Very high | 96.1 | Very high | 77 Ų | 77 | 68.5 Ų | 68.5 | 50% | 0.5 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55.2 | -39.1 | 176.2 | -21.2 | 31.1 | 0 | 0 | 0 | 113.4 | G117 K121 I123 | G117-P119 WeakPolarHBondContact O-CD 3.45Å; P119-K121 VanDerWaalsContact C-N 3.32Å; P119-K121 PolarHBondContact O-N 3.26Å; P119-I123 WeakPolarHBondContact O-CB 3.48Å; P119-I123 PolarHBondContact O-N 3.4Å; P119-I123 VanDerWaalsContact O-N 3.08Å |
| 120 | A | 95.8 | Very high | 96 | Very high | 66 Ų | 66 | 71.6 Ų | 71.6 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -72.3 | -26.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D118 I123 | D118-A120 VanDerWaalsContact C-N 3.26Å; D118-A120 PolarHBondContact O-N 2.64Å; D118-A120 WeakPolarHBondContact OD1-CA 3.34Å; D118-A120 WeakPolarHBondContact OD1-CB 3.36Å; D118-A120 PolarHBondContact OD1-N 2.81Å; A120-I123 WeakPolarHBondContact O-CG2 3.39Å |
| 121 | K | 96.1 | Very high | 96 | Very high | 58 Ų | 58 | 71.4 Ų | 71.4 | 25% | 0.252 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -80.5 | -48.8 | 174.2 | -64.3 | 177.6 | -169 | -176.6 | 0 | 111.2 | D113 L115 D118 P119 I123 | D113-K121 PolarHBondContact O-NZ 3.07Å; L115-K121 HydrophobicContact CG-CB 4.48Å; D118-K121 HydrophobicContact CB-CB 3.95Å; D118-K121 HydrophobicContact CB-CD 3.71Å; D118-K121 HydrophobicContact CB-CG 3.77Å; D118-K121 PolarHBondContact O-N 2.79Å; D118-K121 VanDerWaalsContact O-N 3.15Å; D118-K121 VanDerWaalsContact OD2-CE 3.22Å; D118-K121 WeakPolarHBondContact OD2-CE 3.41Å; D118-K121 WeakPolarHBondContact OD2-CG 3.07Å; P119-K121 VanDerWaalsContact C-N 3.32Å; P119-K121 PolarHBondContact O-N 3.26Å; K121-I123 PolarHBondContact O-N 3.46Å |
| 122 | R | 95.4 | Very high | 96 | Very high | 13 Ų | 13 | 69.3 Ų | 69.3 | 5% | 0.049 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.5 | -27 | -175.3 | 69.3 | 177 | 174.3 | -95.9 | -3 | 114.2 | L115 L116 G117 D118 K124 Y125 Y133 | L115-R122 WeakPolarHBondContact O-CB 3.47Å; L115-R122 PolarHBondContact O-N 3.21Å; L116-R122 WeakPolarHBondContact O-CD 3.41Å; L116-R122 PolarHBondContact O-NH1 3.03Å; G117-R122 PolarHBondContact O-NH1 3.04Å; D118-R122 WeakPolarHBondContact O-CG 3.34Å; D118-R122 PolarHBondContact O-N 3.39Å; R122-K124 PolarHBondContact O-N 3.08Å; R122-Y125 PolarHBondContact O-N 3.48Å; R122-Y133 HydrophobicContact CB-CD1 4.17Å; R122-Y133 HydrophobicContact CB-CE1 3.87Å; R122-Y133 HydrophobicContact CG-CD1 4.41Å; R122-Y133 HydrophobicContact CG-CE1 3.65Å; R122-Y133 PolarHBondContact NE-OH 2.9Å; R122-Y133 VanDerWaalsContact O-CD1 3.26Å; R122-Y133 WeakPolarHBondContact O-CD1 3.19Å; R122-Y133 VanDerWaalsContact O-CE1 3.26Å; R122-Y133 WeakPolarHBondContact O-CE1 3.5Å |
| 123 | I | 95.2 | Very high | 96.1 | Very high | 99 Ų | 99 | 67.1 Ų | 67.1 | 51% | 0.508 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -56.1 | -27.4 | -177.9 | -164.9 | 63.2 | 0 | 0 | 0 | 113.2 | P119 A120 K121 Y125 F126 | P119-I123 WeakPolarHBondContact O-CB 3.48Å; P119-I123 PolarHBondContact O-N 3.4Å; P119-I123 VanDerWaalsContact O-N 3.08Å; A120-I123 WeakPolarHBondContact O-CG2 3.39Å; K121-I123 PolarHBondContact O-N 3.46Å; I123-Y125 PolarHBondContact O-N 3.15Å; I123-Y125 VanDerWaalsContact O-N 3.16Å; I123-F126 HydrophobicContact CD1-CB 4.15Å; I123-F126 HydrophobicContact CD1-CD1 4.45Å; I123-F126 HydrophobicContact CD1-CG 4.47Å; I123-F126 WeakPolarHBondContact O-CB 3.43Å; I123-F126 PolarHBondContact O-N 3.19Å |
| 124 | K | 95.7 | Very high | 96.2 | Very high | 171 Ų | 171 | 64.5 Ų | 64.5 | 74% | 0.743 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -62 | -20 | 176.2 | -61.8 | 178.9 | -176 | 175.8 | 0 | 113.6 | R122 | R122-K124 PolarHBondContact O-N 3.08Š|
| 125 | Y | 97 | Very high | 96.2 | Very high | 80 Ų | 80 | 64.5 Ų | 64.5 | 31% | 0.314 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -107.5 | 3.7 | -177.1 | -58.5 | -83.1 | 0 | 0 | 0 | 112.5 | L115 R122 I123 Y133 F134 F135 F172 | L115-Y125 HydrophobicContact CD1-CE2 4.04Å; L115-Y125 HydrophobicContact CD2-CD2 4.26Å; L115-Y125 HydrophobicContact CD2-CE2 4.16Å; L115-Y125 HydrophobicContact CG-CE2 4.42Å; R122-Y125 PolarHBondContact O-N 3.48Å; I123-Y125 PolarHBondContact O-N 3.15Å; I123-Y125 VanDerWaalsContact O-N 3.16Å; Y125-Y133 CarbonylContact O-C 3.5Å; Y125-Y133 VanDerWaalsContact O-CA 3.31Å; Y125-Y133 WeakPolarHBondContact O-CA 3.42Å; Y125-F134 PolarHBondContact O-N 3.24Å; Y125-F135 AromaticContact CD1-CD1 3.74Å; Y125-F135 HydrophobicContact CD1-CD1 3.74Å; Y125-F135 AromaticContact CD1-CE1 3.58Å; Y125-F135 HydrophobicContact CD1-CE1 3.58Å; Y125-F135 HydrophobicContact CD1-CZ 4.32Å; Y125-F135 AromaticContact CD2-CE1 3.6Å; Y125-F135 HydrophobicContact CD2-CE1 3.6Å; Y125-F135 AromaticContact CD2-CZ 3.93Å; Y125-F135 HydrophobicContact CD2-CZ 3.93Å; Y125-F135 HydrophobicContact CE1-CD1 4.03Å; Y125-F135 AromaticContact CE1-CE1 3.93Å; Y125-F135 HydrophobicContact CE1-CE1 3.93Å; Y125-F135 AromaticContact CE2-CE1 3.95Å; Y125-F135 HydrophobicContact CE2-CE1 3.95Å; Y125-F135 HydrophobicContact CG-CD1 4.03Å; Y125-F135 AromaticContact CG-CE1 3.41Å; Y125-F135 HydrophobicContact CG-CE1 3.41Å; Y125-F135 VanDerWaalsContact CG-CE1 3.41Å; Y125-F135 AromaticContact CG-CZ 3.76Å; Y125-F135 HydrophobicContact CG-CZ 3.76Å; Y125-F172 HydrophobicContact CE1-CZ 4.23Å |
| 126 | F | 97.4 | Very high | 96.2 | Very high | 68 Ų | 68 | 70.8 Ų | 70.8 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 127.4 | -175.9 | -172.2 | -113.1 | 0 | 0 | 0 | 112.1 | I123 P128 N131 Y133 | I123-F126 HydrophobicContact CD1-CB 4.15Å; I123-F126 HydrophobicContact CD1-CD1 4.45Å; I123-F126 HydrophobicContact CD1-CG 4.47Å; I123-F126 WeakPolarHBondContact O-CB 3.43Å; I123-F126 PolarHBondContact O-N 3.19Å; F126-P128 HydrophobicContact CD1-CB 4.47Å; F126-P128 HydrophobicContact CE1-CB 4.15Å; F126-P128 WeakPolarHBondContact O-CD 3.24Å; F126-N131 VanDerWaalsContact CZ-OD1 3.3Å; F126-N131 WeakPolarHBondContact CZ-OD1 3.2Å; F126-Y133 HydrophobicContact CB-CD1 3.84Å; F126-Y133 HydrophobicContact CB-CE1 3.63Å; F126-Y133 HydrophobicContact CD2-CD1 4.01Å; F126-Y133 HydrophobicContact CD2-CD2 4.28Å; F126-Y133 AromaticContact CD2-CE1 3.74Å; F126-Y133 HydrophobicContact CD2-CE1 3.74Å; F126-Y133 HydrophobicContact CD2-CE2 4.05Å; F126-Y133 HydrophobicContact CD2-CG 4.27Å; F126-Y133 AromaticContact CD2-CZ 3.77Å; F126-Y133 HydrophobicContact CG-CD1 4.42Å; F126-Y133 HydrophobicContact CG-CE1 4.08Å |
| 127 | D | 96.2 | Very high | 96.2 | Very high | 44 Ų | 44 | 74.3 Ų | 74.3 | 24% | 0.235 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 106.6 | 170.5 | -178.1 | -8.3 | 0 | 0 | 0 | 109.9 | L129 R130 N131 E132 | D127-L129 VanDerWaalsContact C-N 3.26Å; D127-L129 PolarHBondContact O-N 3.28Å; D127-L129 WeakPolarHBondContact OD1-CB 3.19Å; D127-L129 PolarHBondContact OD1-N 3.21Å; D127-R130 PolarHBondContact O-N 3.14Å; D127-R130 VanDerWaalsContact OD2-CD 3.22Å; D127-R130 WeakPolarHBondContact OD2-CD 3.46Å; D127-R130 WeakPolarHBondContact OD2-CG 3.45Å; D127-N131 WeakPolarHBondContact O-CA 3.47Å; D127-N131 PolarHBondContact O-N 2.85Å; D127-E132 PolarHBondContact N-O 3.19Å; D127-E132 PolarHBondContact O-N 3.3Å |
| 128 | P | 94.6 | Very high | 96.2 | Very high | 100 Ų | 100 | 76.8 Ų | 76.8 | 65% | 0.649 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -19.6 | -177.4 | 30 | -35.7 | 0 | 0 | 0 | 113.4 | F126 | F126-P128 HydrophobicContact CD1-CB 4.47Å; F126-P128 HydrophobicContact CE1-CB 4.15Å; F126-P128 WeakPolarHBondContact O-CD 3.24Å |
| 129 | L | 95.6 | Very high | 96.1 | Very high | 165 Ų | 165 | 80.1 Ų | 80.1 | 86% | 0.864 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -29 | 179.1 | -63.4 | 176.4 | 0 | 0 | 0 | 111.7 | D127 | D127-L129 VanDerWaalsContact C-N 3.26Å; D127-L129 PolarHBondContact O-N 3.28Å; D127-L129 WeakPolarHBondContact OD1-CB 3.19Å; D127-L129 PolarHBondContact OD1-N 3.21Å |
| 130 | R | 93.3 | Very high | 96.2 | Very high | 135 Ų | 135 | 78.7 Ų | 78.7 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -7 | -175.7 | -57.4 | -176.4 | 97 | -178.3 | 17.6 | 112.9 | R100 D127 E132 | R100-R130 VanDerWaalsContact NH2-NH2 3.15Å; D127-R130 PolarHBondContact O-N 3.14Å; D127-R130 VanDerWaalsContact OD2-CD 3.22Å; D127-R130 WeakPolarHBondContact OD2-CD 3.46Å; D127-R130 WeakPolarHBondContact OD2-CG 3.45Å; R130-E132 VanDerWaalsContact C-N 3.26Å; R130-E132 HydrophobicContact CB-CG 3.83Å; R130-E132 IonicContact CZ-OE1 2.96Å; R130-E132 IonicContact NE-OE1 3.69Å; R130-E132 IonicContact NH1-OE1 3.19Å; R130-E132 PolarHBondContact NH1-OE1 3.15Å; R130-E132 VanDerWaalsContact NH1-OE1 3.09Å; R130-E132 PolarHBondContact O-N 3.11Å |
| 131 | N | 94.6 | Very high | 96.2 | Very high | 103 Ų | 103 | 75.6 Ų | 75.6 | 55% | 0.551 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 43.9 | -176.3 | -161.9 | 46.4 | 0 | 0 | 0 | 112 | F126 D127 | F126-N131 VanDerWaalsContact CZ-OD1 3.3Å; F126-N131 WeakPolarHBondContact CZ-OD1 3.2Å; D127-N131 WeakPolarHBondContact O-CA 3.47Å; D127-N131 PolarHBondContact O-N 2.85Å |
| 132 | E | 96.8 | Very high | 96.3 | Very high | 5 Ų | 5 | 72.8 Ų | 72.8 | 2% | 0.023 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 151.8 | -178.2 | 72.4 | -172.8 | -169.6 | 0 | 0 | 110.9 | L93 N95 R100 D127 R130 | L93-E132 HydrophobicContact CB-CB 3.84Å; L93-E132 CarbonylContact O-C 3.59Å; L93-E132 WeakPolarHBondContact O-CA 3.37Å; N95-E132 HydrophobicContact CB-CG 4.18Å; N95-E132 PolarHBondContact ND2-OE1 3.4Å; R100-E132 IonicContact CZ-OE2 3.78Å; R100-E132 IonicContact NE-OE2 2.64Å; R100-E132 PolarHBondContact NE-OE2 3.47Å; R100-E132 IonicContact NH2-OE2 3.73Å; D127-E132 PolarHBondContact N-O 3.19Å; D127-E132 PolarHBondContact O-N 3.3Å; R130-E132 VanDerWaalsContact C-N 3.26Å; R130-E132 HydrophobicContact CB-CG 3.83Å; R130-E132 IonicContact CZ-OE1 2.96Å; R130-E132 IonicContact NE-OE1 3.69Å; R130-E132 IonicContact NH1-OE1 3.19Å; R130-E132 PolarHBondContact NH1-OE1 3.15Å; R130-E132 VanDerWaalsContact NH1-OE1 3.09Å; R130-E132 PolarHBondContact O-N 3.11Å |
| 133 | Y | 97.9 | Very high | 96.3 | Very high | 30 Ų | 30 | 76.3 Ų | 76.3 | 12% | 0.118 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 123.1 | 168.4 | -66.6 | -83.7 | 0 | 0 | 0 | 109.9 | V92 L93 I94 N95 R122 Y125 F126 | V92-Y133 HydrophobicContact CG1-CD2 3.59Å; V92-Y133 HydrophobicContact CG1-CE2 3.59Å; L93-Y133 PolarHBondContact O-N 2.79Å; I94-Y133 CarbonylContact C-O 3.6Å; I94-Y133 WeakPolarHBondContact CA-O 3.41Å; N95-Y133 PolarHBondContact N-O 3.15Å; R122-Y133 HydrophobicContact CB-CD1 4.17Å; R122-Y133 HydrophobicContact CB-CE1 3.87Å; R122-Y133 HydrophobicContact CG-CD1 4.41Å; R122-Y133 HydrophobicContact CG-CE1 3.65Å; R122-Y133 PolarHBondContact NE-OH 2.9Å; R122-Y133 VanDerWaalsContact O-CD1 3.26Å; R122-Y133 WeakPolarHBondContact O-CD1 3.19Å; R122-Y133 VanDerWaalsContact O-CE1 3.26Å; R122-Y133 WeakPolarHBondContact O-CE1 3.5Å; Y125-Y133 CarbonylContact O-C 3.5Å; Y125-Y133 VanDerWaalsContact O-CA 3.31Å; Y125-Y133 WeakPolarHBondContact O-CA 3.42Å; F126-Y133 HydrophobicContact CB-CD1 3.84Å; F126-Y133 HydrophobicContact CB-CE1 3.63Å; F126-Y133 HydrophobicContact CD2-CD1 4.01Å; F126-Y133 HydrophobicContact CD2-CD2 4.28Å; F126-Y133 AromaticContact CD2-CE1 3.74Å; F126-Y133 HydrophobicContact CD2-CE1 3.74Å; F126-Y133 HydrophobicContact CD2-CE2 4.05Å; F126-Y133 HydrophobicContact CD2-CG 4.27Å; F126-Y133 AromaticContact CD2-CZ 3.77Å; F126-Y133 HydrophobicContact CG-CD1 4.42Å; F126-Y133 HydrophobicContact CG-CE1 4.08Å |
| 134 | F | 98.1 | Very high | 96.3 | Very high | 86 Ų | 86 | 71.8 Ų | 71.8 | 38% | 0.377 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 130 | -177 | 179.8 | -101 | 0 | 0 | 0 | 112.8 | N95 Y125 D136 | N95-F134 HydrophobicContact CB-CD2 4.09Å; N95-F134 CarbonylContact O-C 3.55Å; N95-F134 WeakPolarHBondContact O-CA 3.44Å; Y125-F134 PolarHBondContact O-N 3.24Å; F134-D136 HydrophobicContact CE1-CB 4.01Å; F134-D136 HydrophobicContact CZ-CB 4.23Å |
| 135 | F | 98.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 1% | 0.013 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 121.7 | 175.3 | -61.9 | -89 | 0 | 0 | 0 | 110.4 | I94 N95 I96 A97 L115 L116 Y125 R137 F172 Y173 | I94-F135 HydrophobicContact CG2-CD2 3.82Å; I94-F135 HydrophobicContact CG2-CE2 3.86Å; N95-F135 PolarHBondContact O-N 3.11Å; I96-F135 CarbonylContact C-O 3.54Å; I96-F135 WeakPolarHBondContact CA-O 3.43Å; I96-F135 HydrophobicContact CD1-CB 3.75Å; I96-F135 HydrophobicContact CD1-CD2 3.77Å; I96-F135 HydrophobicContact CD1-CG 4.08Å; A97-F135 PolarHBondContact N-O 2.82Å; L115-F135 HydrophobicContact CD2-CE1 3.62Å; L115-F135 HydrophobicContact CD2-CZ 3.63Å; L116-F135 HydrophobicContact CD2-CE2 3.79Å; L116-F135 HydrophobicContact CD2-CZ 3.62Å; Y125-F135 AromaticContact CD1-CD1 3.74Å; Y125-F135 HydrophobicContact CD1-CD1 3.74Å; Y125-F135 AromaticContact CD1-CE1 3.58Å; Y125-F135 HydrophobicContact CD1-CE1 3.58Å; Y125-F135 HydrophobicContact CD1-CZ 4.32Å; Y125-F135 AromaticContact CD2-CE1 3.6Å; Y125-F135 HydrophobicContact CD2-CE1 3.6Å; Y125-F135 AromaticContact CD2-CZ 3.93Å; Y125-F135 HydrophobicContact CD2-CZ 3.93Å; Y125-F135 HydrophobicContact CE1-CD1 4.03Å; Y125-F135 AromaticContact CE1-CE1 3.93Å; Y125-F135 HydrophobicContact CE1-CE1 3.93Å; Y125-F135 AromaticContact CE2-CE1 3.95Å; Y125-F135 HydrophobicContact CE2-CE1 3.95Å; Y125-F135 HydrophobicContact CG-CD1 4.03Å; Y125-F135 AromaticContact CG-CE1 3.41Å; Y125-F135 HydrophobicContact CG-CE1 3.41Å; Y125-F135 VanDerWaalsContact CG-CE1 3.41Å; Y125-F135 AromaticContact CG-CZ 3.76Å; Y125-F135 HydrophobicContact CG-CZ 3.76Å; F135-R137 VanDerWaalsContact C-N 3.32Å; F135-R137 HydrophobicContact CB-CG 4.25Å; F135-R137 PolarHBondContact O-N 3.3Å; F135-R137 VanDerWaalsContact O-N 3.11Å; F135-F172 AromaticContact CD1-CE1 3.73Å; F135-F172 HydrophobicContact CD1-CE1 3.73Å; F135-F172 AromaticContact CD1-CZ 3.91Å; F135-F172 HydrophobicContact CD1-CZ 3.91Å; F135-F172 AromaticContact CE1-CE1 3.97Å; F135-F172 HydrophobicContact CE1-CE1 3.97Å; F135-F172 HydrophobicContact CE1-CZ 4.15Å; F135-Y173 HydrophobicContact CD1-CE1 4.21Å; F135-Y173 HydrophobicContact CE1-CE1 4.15Å; F135-Y173 HydrophobicContact CG-CE1 4.45Å; F135-Y173 HydrophobicContact CZ-CE1 4.35Å |
| 136 | D | 97.3 | Very high | 96.4 | Very high | 137 Ų | 137 | 60.3 Ų | 60.3 | 73% | 0.733 | 30% | 0.297 | S | S | * | . | trans | -86 | 72.8 | 173.5 | -166.9 | 20.9 | 0 | 0 | 0 | 110.4 | F134 | F134-D136 HydrophobicContact CE1-CB 4.01Å; F134-D136 HydrophobicContact CZ-CB 4.23Å | ||
| 137 | R | 96.9 | Very high | 96.4 | Very high | 74 Ų | 74 | 61.7 Ų | 61.7 | 28% | 0.279 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -137.6 | 179.3 | -169.7 | -63.8 | -159.8 | 70.6 | 94.4 | 5.3 | 113.6 | F135 R139 E169 F172 | F135-R137 VanDerWaalsContact C-N 3.32Å; F135-R137 HydrophobicContact CB-CG 4.25Å; F135-R137 PolarHBondContact O-N 3.3Å; F135-R137 VanDerWaalsContact O-N 3.11Å; R137-R139 PolarHBondContact O-N 3.41Å; R137-R139 VanDerWaalsContact O-N 3.14Å; R137-E169 IonicContact CZ-OE1 3.89Å; R137-E169 VanDerWaalsContact CZ-OE1 3.29Å; R137-E169 IonicContact CZ-OE2 2.76Å; R137-E169 VanDerWaalsContact NE-CD 3.31Å; R137-E169 IonicContact NE-OE1 2.99Å; R137-E169 PolarHBondContact NE-OE1 3.24Å; R137-E169 IonicContact NE-OE2 3.75Å; R137-E169 PolarHBondContact NE-OE2 3.09Å; R137-E169 IonicContact NH2-OE1 3.81Å; R137-E169 PolarHBondContact NH2-OE1 3.14Å; R137-E169 IonicContact NH2-OE2 3.75Å; R137-F172 HydrophobicContact CG-CE1 4.46Å; R137-F172 VanDerWaalsContact NE-CD1 3.31Å; R137-F172 VanDerWaalsContact NH1-CE2 3.3Å |
| 138 | N | 95.7 | Very high | 96.4 | Very high | 55 Ų | 55 | 60 Ų | 60 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | trans | -63.1 | 113 | -178.2 | -172.8 | -83.8 | 0 | 0 | 0 | 111.3 | P140 S141 V165 E169 | N138-P140 VanDerWaalsContact OD1-CD 3.24Å; N138-P140 WeakPolarHBondContact OD1-CD 3.3Å; N138-S141 PolarHBondContact OD1-N 3.35Å; N138-S141 PolarHBondContact OD1-OG 3.15Å; N138-V165 HydrophobicContact CB-CG1 4.19Å; N138-E169 HydrophobicContact CB-CG 4.33Å | ||
| 139 | R | 96.1 | Very high | 96.5 | Very high | 114 Ų | 114 | 55.3 Ų | 55.3 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -51.4 | -174.7 | -51.9 | 168.2 | 54 | 161.7 | -4.4 | 112.5 | I96 A97 L99 R137 S141 F142 | I96-R139 HydrophobicContact CG2-CG 4.33Å; I96-R139 WeakPolarHBondContact O-CG 3.48Å; A97-R139 HydrophobicContact CB-CG 3.84Å; A97-R139 PolarHBondContact O-NH1 3.12Å; L99-R139 HydrophobicContact CD2-CB 4.31Å; R137-R139 PolarHBondContact O-N 3.41Å; R137-R139 VanDerWaalsContact O-N 3.14Å; R139-S141 VanDerWaalsContact C-N 3.28Å; R139-S141 PolarHBondContact O-N 3.02Å; R139-F142 PolarHBondContact O-N 3.11Å |
| 140 | P | 95.8 | Very high | 96.6 | Very high | 47 Ų | 47 | 52.5 Ų | 52.5 | 31% | 0.305 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -32.8 | -177 | -25.5 | 35.8 | 0 | 0 | 0 | 114.1 | N138 F142 P158 V161 | N138-P140 VanDerWaalsContact OD1-CD 3.24Å; N138-P140 WeakPolarHBondContact OD1-CD 3.3Å; P140-F142 VanDerWaalsContact C-N 3.26Å; P140-F142 PolarHBondContact O-N 3.29Å; P140-P158 WeakPolarHBondContact O-CG 3.44Å; P140-V161 HydrophobicContact CB-CG2 3.55Å |
| 141 | S | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -31.4 | 178.6 | -67.5 | 0 | 0 | 0 | 0 | 113.7 | N138 R139 D143 G144 I145 V161 F166 | N138-S141 PolarHBondContact OD1-N 3.35Å; N138-S141 PolarHBondContact OD1-OG 3.15Å; R139-S141 VanDerWaalsContact C-N 3.28Å; R139-S141 PolarHBondContact O-N 3.02Å; S141-D143 PolarHBondContact O-N 3.47Å; S141-G144 PolarHBondContact O-N 2.87Å; S141-G144 VanDerWaalsContact O-N 3.08Å; S141-I145 PolarHBondContact O-N 3.21Å; S141-V161 WeakPolarHBondContact OG-CG1 3.22Å; S141-F166 WeakPolarHBondContact O-CE2 3.49Å |
| 142 | F | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.6 | -23.5 | -171.2 | -164.4 | -103.4 | 0 | 0 | 0 | 113.5 | I94 I96 Y101 L116 R139 P140 G144 I145 L146 Y173 | I94-F142 HydrophobicContact CB-CE1 4.31Å; I94-F142 HydrophobicContact CB-CZ 4.21Å; I94-F142 HydrophobicContact CD1-CE1 4.39Å; I94-F142 HydrophobicContact CD1-CZ 3.85Å; I94-F142 HydrophobicContact CG2-CE1 4.03Å; I94-F142 HydrophobicContact CG2-CE2 4.29Å; I94-F142 HydrophobicContact CG2-CZ 3.62Å; I96-F142 HydrophobicContact CD1-CB 4.47Å; I96-F142 HydrophobicContact CD1-CD1 4.16Å; I96-F142 HydrophobicContact CD1-CD2 3.59Å; I96-F142 HydrophobicContact CD1-CE1 4.28Å; I96-F142 HydrophobicContact CD1-CE2 3.74Å; I96-F142 HydrophobicContact CD1-CG 3.82Å; I96-F142 HydrophobicContact CD1-CZ 4.09Å; I96-F142 HydrophobicContact CG1-CB 3.82Å; I96-F142 HydrophobicContact CG1-CD1 3.66Å; I96-F142 HydrophobicContact CG1-CD2 3.82Å; I96-F142 HydrophobicContact CG1-CE1 4.13Å; I96-F142 HydrophobicContact CG1-CE2 4.3Å; I96-F142 HydrophobicContact CG1-CG 3.47Å; I96-F142 VanDerWaalsContact CG1-CG 3.47Å; I96-F142 HydrophobicContact CG1-CZ 4.44Å; I96-F142 HydrophobicContact CG2-CB 4.37Å; Y101-F142 AromaticContact CD1-CD1 3.89Å; Y101-F142 HydrophobicContact CD1-CD1 3.89Å; Y101-F142 HydrophobicContact CD1-CE1 4.23Å; Y101-F142 AromaticContact CD2-CD1 3.39Å; Y101-F142 HydrophobicContact CD2-CD1 3.39Å; Y101-F142 AromaticContact CD2-CE1 3.84Å; Y101-F142 HydrophobicContact CD2-CE1 3.84Å; Y101-F142 HydrophobicContact CD2-CG 4.38Å; Y101-F142 HydrophobicContact CE1-CD1 4.04Å; Y101-F142 HydrophobicContact CE2-CB 4.1Å; Y101-F142 AromaticContact CE2-CD1 3.56Å; Y101-F142 HydrophobicContact CE2-CD1 3.56Å; Y101-F142 HydrophobicContact CE2-CE1 4.45Å; Y101-F142 HydrophobicContact CE2-CG 4.23Å; Y101-F142 AromaticContact CG-CD1 3.55Å; Y101-F142 HydrophobicContact CG-CD1 3.55Å; Y101-F142 AromaticContact CG-CE1 3.7Å; Y101-F142 HydrophobicContact CG-CE1 3.7Å; Y101-F142 AromaticContact CZ-CD1 3.88Å; L116-F142 HydrophobicContact CD1-CE2 3.89Å; L116-F142 HydrophobicContact CD1-CZ 3.94Å; R139-F142 PolarHBondContact O-N 3.11Å; P140-F142 VanDerWaalsContact C-N 3.26Å; P140-F142 PolarHBondContact O-N 3.29Å; F142-G144 VanDerWaalsContact C-N 3.29Å; F142-G144 PolarHBondContact O-N 3.05Å; F142-I145 HydrophobicContact CD2-CB 4.1Å; F142-I145 HydrophobicContact CD2-CG2 4.25Å; F142-I145 HydrophobicContact CE2-CB 4.43Å; F142-I145 HydrophobicContact CE2-CG2 4.13Å; F142-I145 PolarHBondContact O-N 3.32Å; F142-L146 HydrophobicContact CD1-CB 4.23Å; F142-L146 HydrophobicContact CE1-CB 3.98Å; F142-L146 HydrophobicContact CE1-CD2 4.35Å; F142-L146 WeakPolarHBondContact O-CB 3.31Å; F142-L146 PolarHBondContact O-N 2.97Å; F142-Y173 HydrophobicContact CD2-CE1 4.24Å; F142-Y173 AromaticContact CD2-CE2 3.93Å; F142-Y173 HydrophobicContact CD2-CE2 3.93Å; F142-Y173 AromaticContact CD2-CZ 3.6Å; F142-Y173 WeakPolarHBondContact CD2-OH 3.39Å; F142-Y173 AromaticContact CE2-CE1 3.8Å; F142-Y173 HydrophobicContact CE2-CE1 3.8Å; F142-Y173 HydrophobicContact CE2-CE2 4.28Å; F142-Y173 AromaticContact CE2-CZ 3.65Å |
| 143 | D | 95.7 | Very high | 96.5 | Very high | 87 Ų | 87 | 44.7 Ų | 44.7 | 47% | 0.465 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.3 | -45.3 | 172.2 | -70.6 | -23.3 | 0 | 0 | 0 | 111.2 | Y101 S141 Y147 | Y101-D143 WeakPolarHBondContact CE1-OD1 3.32Å; Y101-D143 VanDerWaalsContact CZ-OD1 3.27Å; Y101-D143 PolarHBondContact OH-OD1 2.68Å; S141-D143 PolarHBondContact O-N 3.47Å; D143-Y147 WeakPolarHBondContact O-CB 3.34Å; D143-Y147 PolarHBondContact O-N 3.17Å |
| 144 | G | 95.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.7 | -36.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S141 F142 F148 R156 | S141-G144 PolarHBondContact O-N 2.87Å; S141-G144 VanDerWaalsContact O-N 3.08Å; F142-G144 VanDerWaalsContact C-N 3.29Å; F142-G144 PolarHBondContact O-N 3.05Å; G144-F148 PolarHBondContact O-N 3.32Å; G144-F148 VanDerWaalsContact O-N 3.15Å; G144-R156 WeakPolarHBondContact CA-O 3.48Å |
| 145 | I | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67 | -45.7 | 177.4 | -57.4 | -61.7 | 0 | 0 | 0 | 110.9 | S141 F142 F148 Y149 F166 E169 I170 Y173 L175 | S141-I145 PolarHBondContact O-N 3.21Å; F142-I145 HydrophobicContact CD2-CB 4.1Å; F142-I145 HydrophobicContact CD2-CG2 4.25Å; F142-I145 HydrophobicContact CE2-CB 4.43Å; F142-I145 HydrophobicContact CE2-CG2 4.13Å; F142-I145 PolarHBondContact O-N 3.32Å; I145-F148 WeakPolarHBondContact O-CB 3.46Å; I145-F148 PolarHBondContact O-N 3.39Å; I145-Y149 HydrophobicContact CG2-CE2 4.24Å; I145-Y149 WeakPolarHBondContact O-CD2 3.31Å; I145-F166 HydrophobicContact CD1-CE2 4.33Å; I145-F166 HydrophobicContact CD1-CZ 4.47Å; I145-E169 HydrophobicContact CD1-CB 4.3Å; I145-I170 HydrophobicContact CD1-CG1 4.18Å; I145-Y173 HydrophobicContact CB-CD2 4.32Å; I145-Y173 HydrophobicContact CD1-CD2 4.02Å; I145-Y173 HydrophobicContact CG1-CD2 3.77Å; I145-Y173 HydrophobicContact CG1-CE2 4.11Å; I145-Y173 HydrophobicContact CG2-CD1 4.32Å; I145-Y173 HydrophobicContact CG2-CD2 3.73Å; I145-Y173 HydrophobicContact CG2-CE2 4.28Å; I145-Y173 HydrophobicContact CG2-CG 3.77Å; I145-L175 HydrophobicContact CD1-CD1 3.8Å; I145-L175 HydrophobicContact CG2-CD2 4.48Å |
| 146 | L | 97.1 | Very high | 95.8 | Very high | 9 Ų | 9 | 53.6 Ų | 53.6 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.1 | -39.8 | 179.6 | -176.6 | 61.1 | 0 | 0 | 0 | 111.3 | Y101 T103 F142 F148 Y149 Q150 | Y101-L146 HydrophobicContact CD1-CD2 3.71Å; Y101-L146 HydrophobicContact CG-CD2 4.29Å; T103-L146 HydrophobicContact CG2-CD1 4.04Å; F142-L146 HydrophobicContact CD1-CB 4.23Å; F142-L146 HydrophobicContact CE1-CB 3.98Å; F142-L146 HydrophobicContact CE1-CD2 4.35Å; F142-L146 WeakPolarHBondContact O-CB 3.31Å; F142-L146 PolarHBondContact O-N 2.97Å; L146-F148 PolarHBondContact O-N 2.97Å; L146-Y149 PolarHBondContact O-N 3.06Å; L146-Y149 VanDerWaalsContact O-N 3.12Å; L146-Q150 HydrophobicContact CG-CG 4.43Å; L146-Q150 WeakPolarHBondContact O-CG 3.41Å; L146-Q150 PolarHBondContact O-N 2.93Å; L146-Q150 VanDerWaalsContact O-N 3.11Å |
| 147 | Y | 96.5 | Very high | 95.6 | Very high | 98 Ų | 98 | 49.9 Ų | 49.9 | 38% | 0.384 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.7 | -31.3 | 176 | -176.9 | -103.8 | 0 | 0 | 0 | 112.5 | D143 Y149 Q150 S151 K154 | D143-Y147 WeakPolarHBondContact O-CB 3.34Å; D143-Y147 PolarHBondContact O-N 3.17Å; Y147-Y149 VanDerWaalsContact C-N 3.33Å; Y147-Y149 PolarHBondContact O-N 3.35Å; Y147-Q150 PolarHBondContact O-N 3.08Å; Y147-S151 WeakPolarHBondContact O-CB 3.36Å; Y147-S151 PolarHBondContact O-N 2.8Å; Y147-S151 PolarHBondContact O-OG 3.06Å; Y147-K154 HydrophobicContact CE1-CB 4.16Å |
| 148 | F | 97.3 | Very high | 95.5 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.039 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.5 | -46.4 | 172.8 | 167 | -91.2 | 0 | 0 | 0 | 111.9 | F111 G144 I145 L146 S151 G152 G153 K154 I155 L175 A179 | F111-F148 HydrophobicContact CB-CE1 4.35Å; F111-F148 AromaticContact CD1-CE1 3.91Å; F111-F148 HydrophobicContact CD1-CE1 3.91Å; F111-F148 AromaticContact CD1-CZ 3.85Å; F111-F148 HydrophobicContact CD1-CZ 3.85Å; F111-F148 HydrophobicContact CD2-CD1 4.32Å; F111-F148 AromaticContact CD2-CE1 3.7Å; F111-F148 HydrophobicContact CD2-CE1 3.7Å; F111-F148 HydrophobicContact CD2-CZ 4.35Å; F111-F148 HydrophobicContact CE1-CE1 4.1Å; F111-F148 AromaticContact CE1-CZ 3.76Å; F111-F148 HydrophobicContact CE1-CZ 3.76Å; F111-F148 HydrophobicContact CE2-CD1 4.38Å; F111-F148 AromaticContact CE2-CE1 3.91Å; F111-F148 HydrophobicContact CE2-CE1 3.91Å; F111-F148 HydrophobicContact CE2-CZ 4.27Å; F111-F148 AromaticContact CG-CE1 3.71Å; F111-F148 HydrophobicContact CG-CE1 3.71Å; F111-F148 HydrophobicContact CG-CZ 4.15Å; F111-F148 HydrophobicContact CZ-CE1 4.11Å; F111-F148 AromaticContact CZ-CZ 3.99Å; F111-F148 HydrophobicContact CZ-CZ 3.99Å; G144-F148 PolarHBondContact O-N 3.32Å; G144-F148 VanDerWaalsContact O-N 3.15Å; I145-F148 WeakPolarHBondContact O-CB 3.46Å; I145-F148 PolarHBondContact O-N 3.39Å; L146-F148 PolarHBondContact O-N 2.97Å; F148-S151 PolarHBondContact O-OG 3.34Å; F148-G152 PolarHBondContact O-N 3.36Å; F148-G153 WeakPolarHBondContact O-CA 3.42Å; F148-G153 PolarHBondContact O-N 3.24Å; F148-K154 WeakPolarHBondContact CA-O 3.5Å; F148-I155 HydrophobicContact CB-CD1 4.18Å; F148-I155 HydrophobicContact CD2-CB 4.4Å; F148-I155 HydrophobicContact CD2-CD1 4.35Å; F148-L175 HydrophobicContact CB-CD1 4.4Å; F148-L175 HydrophobicContact CD1-CD1 4.2Å; F148-L175 HydrophobicContact CD1-CD2 3.97Å; F148-L175 HydrophobicContact CD2-CD1 4.45Å; F148-L175 HydrophobicContact CE1-CD2 4.05Å; F148-L175 HydrophobicContact CG-CD1 4.11Å; F148-L175 HydrophobicContact CZ-CB 4.49Å; F148-A179 HydrophobicContact CE2-CB 3.85Å; F148-A179 HydrophobicContact CZ-CB 4.32Å |
| 149 | Y | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.6 | -46.9 | 176.5 | -62.4 | -96.1 | 0 | 0 | 0 | 111.2 | L108 Q110 F111 T114 L116 I145 L146 Y147 S151 G152 L175 | L108-Y149 HydrophobicContact CD2-CD1 4.01Å; L108-Y149 HydrophobicContact CD2-CD2 4.35Å; L108-Y149 HydrophobicContact CD2-CE1 4.3Å; L108-Y149 HydrophobicContact CD2-CG 4.05Å; Q110-Y149 PolarHBondContact OE1-O 3.31Å; F111-Y149 HydrophobicContact CB-CD1 4.24Å; F111-Y149 HydrophobicContact CB-CE1 3.94Å; F111-Y149 AromaticContact CD2-CD1 3.74Å; F111-Y149 HydrophobicContact CD2-CD1 3.74Å; F111-Y149 HydrophobicContact CD2-CE1 4.25Å; F111-Y149 HydrophobicContact CD2-CG 4.39Å; F111-Y149 HydrophobicContact CG-CD1 4.44Å; T114-Y149 WeakPolarHBondContact CB-OH 3.44Å; T114-Y149 HydrophobicContact CG2-CE1 4.43Å; T114-Y149 WeakPolarHBondContact OG1-CE1 3.24Å; T114-Y149 PolarHBondContact OG1-OH 3.34Å; L116-Y149 HydrophobicContact CB-CE1 4.45Å; L116-Y149 HydrophobicContact CD1-CE2 4.09Å; I145-Y149 HydrophobicContact CG2-CE2 4.24Å; I145-Y149 WeakPolarHBondContact O-CD2 3.31Å; L146-Y149 PolarHBondContact O-N 3.06Å; L146-Y149 VanDerWaalsContact O-N 3.12Å; Y147-Y149 VanDerWaalsContact C-N 3.33Å; Y147-Y149 PolarHBondContact O-N 3.35Å; Y149-S151 VanDerWaalsContact C-N 3.29Å; Y149-S151 PolarHBondContact O-N 2.72Å; Y149-G152 PolarHBondContact O-N 2.8Å; Y149-L175 HydrophobicContact CE2-CD2 3.98Å; Y149-L175 WeakPolarHBondContact OH-CD2 3.35Å |
| 150 | Q | 95.9 | Very high | 95.1 | Very high | 107 Ų | 107 | 51.8 Ų | 51.8 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.3 | -33.9 | -176.6 | -67.5 | 172.7 | -18.8 | 0 | 0 | 113.6 | T107 L146 Y147 | T107-Q150 HydrophobicContact CG2-CG 3.99Å; L146-Q150 HydrophobicContact CG-CG 4.43Å; L146-Q150 WeakPolarHBondContact O-CG 3.41Å; L146-Q150 PolarHBondContact O-N 2.93Å; L146-Q150 VanDerWaalsContact O-N 3.11Å; Y147-Q150 PolarHBondContact O-N 3.08Å |
| 151 | S | 95.6 | Very high | 95 | Very high | 33 Ų | 33 | 49.9 Ų | 49.9 | 23% | 0.231 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -3.9 | -178.4 | 65.7 | 0 | 0 | 0 | 0 | 113.7 | Y147 F148 Y149 K154 | Y147-S151 WeakPolarHBondContact O-CB 3.36Å; Y147-S151 PolarHBondContact O-N 2.8Å; Y147-S151 PolarHBondContact O-OG 3.06Å; F148-S151 PolarHBondContact O-OG 3.34Å; Y149-S151 VanDerWaalsContact C-N 3.29Å; Y149-S151 PolarHBondContact O-N 2.72Å; S151-K154 VanDerWaalsContact OG-CB 3.31Å; S151-K154 WeakPolarHBondContact OG-CB 3.22Å; S151-K154 PolarHBondContact OG-N 3.03Å; S151-K154 PolarHBondContact OG-O 2.69Å |
| 152 | G | 94.3 | Very high | 94.8 | Very high | 37 Ų | 37 | 53 Ų | 53 | 38% | 0.381 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 34 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F148 Y149 | F148-G152 PolarHBondContact O-N 3.36Å; Y149-G152 PolarHBondContact O-N 2.8Å |
| 153 | G | 93.3 | Very high | 94.4 | Very high | 8 Ų | 8 | 55.5 Ų | 55.5 | 8% | 0.082 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 115.8 | 13.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | F148 | F148-G153 WeakPolarHBondContact O-CA 3.42Å; F148-G153 PolarHBondContact O-N 3.24Å |
| 154 | K | 93.7 | Very high | 94.1 | Very high | 130 Ų | 130 | 57.1 Ų | 57.1 | 57% | 0.565 | 30% | 0.296 | S | S | * | . | trans | -86.4 | 118 | 173.9 | -58.1 | 179.4 | -179.7 | 172.7 | 0 | 109.9 | Y147 F148 S151 | Y147-K154 HydrophobicContact CE1-CB 4.16Å; F148-K154 WeakPolarHBondContact CA-O 3.5Å; S151-K154 VanDerWaalsContact OG-CB 3.31Å; S151-K154 WeakPolarHBondContact OG-CB 3.22Å; S151-K154 PolarHBondContact OG-N 3.03Å; S151-K154 PolarHBondContact OG-O 2.69Å | ||
| 155 | I | 94.1 | Very high | 94 | Very high | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | trans | -96.5 | 129 | 176.3 | -165.9 | 77.8 | 0 | 0 | 0 | 109.2 | F148 F166 I170 L175 R182 F183 | F148-I155 HydrophobicContact CB-CD1 4.18Å; F148-I155 HydrophobicContact CD2-CB 4.4Å; F148-I155 HydrophobicContact CD2-CD1 4.35Å; I155-F166 HydrophobicContact CD1-CE1 4.15Å; I155-F166 HydrophobicContact CD1-CZ 4.05Å; I155-F166 HydrophobicContact CG1-CE1 3.94Å; I155-F166 HydrophobicContact CG1-CZ 4.27Å; I155-I170 HydrophobicContact CD1-CD1 4.13Å; I155-I170 HydrophobicContact CD1-CG1 4.09Å; I155-I170 HydrophobicContact CG1-CD1 3.95Å; I155-I170 HydrophobicContact CG1-CG1 4.46Å; I155-L175 HydrophobicContact CD1-CD1 3.6Å; I155-R182 HydrophobicContact CG2-CB 4.45Å; I155-F183 HydrophobicContact CG1-CB 4.24Å; I155-F183 HydrophobicContact CG2-CB 3.73Å | ||
| 156 | R | 91.4 | Very high | 94 | Very high | 171 Ų | 171 | 59.2 Ų | 59.2 | 65% | 0.645 | 31% | 0.308 | S | S | * | . | trans | -140.7 | 127.6 | 172.9 | -70.9 | -167 | 174.6 | -154.2 | -4 | 109.8 | G144 F166 | G144-R156 WeakPolarHBondContact CA-O 3.48Å; R156-F166 WeakPolarHBondContact O-CZ 3.4Å | ||
| 157 | R | 94.4 | Very high | 93.8 | Very high | 59 Ų | 59 | 59.6 Ų | 59.6 | 22% | 0.223 | 31% | 0.312 | C | S | . | . | trans | -74.3 | 132.5 | 175.4 | -177.8 | 175.2 | 58 | 77.6 | 2.6 | 110.6 | V159 V161 F166 F183 E187 | R157-V159 PolarHBondContact O-N 3.47Å; R157-V161 WeakPolarHBondContact CD-O 3.31Å; R157-V161 HydrophobicContact CG-CB 4.44Å; R157-V161 PolarHBondContact NH1-O 3.39Å; R157-F166 HydrophobicContact CB-CB 4.48Å; R157-F166 HydrophobicContact CB-CD1 3.6Å; R157-F166 HydrophobicContact CB-CE1 3.86Å; R157-F166 HydrophobicContact CB-CG 3.99Å; R157-F166 HydrophobicContact CB-CZ 4.5Å; R157-F166 HydrophobicContact CG-CB 3.72Å; R157-F166 HydrophobicContact CG-CD1 3.8Å; R157-F166 HydrophobicContact CG-CD2 4.28Å; R157-F166 HydrophobicContact CG-CE1 4.46Å; R157-F166 HydrophobicContact CG-CG 3.68Å; R157-F183 HydrophobicContact CB-CE2 3.94Å; R157-E187 WeakPolarHBondContact CB-OE1 3.39Å; R157-E187 IonicContact CZ-OE1 2.94Å; R157-E187 IonicContact CZ-OE2 3.74Å; R157-E187 VanDerWaalsContact NE-CD 3.3Å; R157-E187 IonicContact NE-OE1 2.74Å; R157-E187 PolarHBondContact NE-OE1 3.4Å; R157-E187 IonicContact NE-OE2 3.89Å; R157-E187 PolarHBondContact NE-OE2 2.79Å; R157-E187 IonicContact NH2-OE1 3.31Å; R157-E187 PolarHBondContact NH2-OE1 2.87Å; R157-E187 IonicContact NH2-OE2 2.74Å; R157-E187 PolarHBondContact NH2-OE2 3.2Å | ||
| 158 | P | 94.6 | Very high | 93.7 | Very high | 21 Ų | 21 | 59.3 Ų | 59.3 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | trans | -61.2 | 132.9 | 167.6 | -22.3 | 33.7 | 0 | 0 | 0 | 111.1 | P140 N160 V161 | P140-P158 WeakPolarHBondContact O-CG 3.44Å; P158-N160 VanDerWaalsContact CB-OD1 3.24Å; P158-N160 WeakPolarHBondContact CB-OD1 3.35Å; P158-N160 PolarHBondContact O-N 3.1Å; P158-V161 HydrophobicContact CB-CB 4.49Å; P158-V161 HydrophobicContact CB-CG2 3.97Å; P158-V161 HydrophobicContact CG-CG2 4.29Å; P158-V161 PolarHBondContact O-N 2.72Å | ||
| 159 | V | 90.4 | Very high | 93.7 | Very high | 143 Ų | 143 | 59.4 Ų | 59.4 | 87% | 0.867 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -23.4 | -173.6 | -64.5 | 0 | 0 | 0 | 0 | 114.4 | R157 | R157-V159 PolarHBondContact O-N 3.47Š|
| 160 | N | 92.6 | Very high | 93.7 | Very high | 120 Ų | 120 | 59.5 Ų | 59.5 | 64% | 0.642 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | 0.2 | 179 | 62.3 | -29.5 | 0 | 0 | 0 | 114 | P158 | P158-N160 VanDerWaalsContact CB-OD1 3.24Å; P158-N160 WeakPolarHBondContact CB-OD1 3.35Å; P158-N160 PolarHBondContact O-N 3.1Å |
| 161 | V | 93.6 | Very high | 93.8 | Very high | 7 Ų | 7 | 61.9 Ų | 61.9 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -109.4 | 133.2 | 179 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | P140 S141 R157 P158 V165 F166 | P140-V161 HydrophobicContact CB-CG2 3.55Å; S141-V161 WeakPolarHBondContact OG-CG1 3.22Å; R157-V161 WeakPolarHBondContact CD-O 3.31Å; R157-V161 HydrophobicContact CG-CB 4.44Å; R157-V161 PolarHBondContact NH1-O 3.39Å; P158-V161 HydrophobicContact CB-CB 4.49Å; P158-V161 HydrophobicContact CB-CG2 3.97Å; P158-V161 HydrophobicContact CG-CG2 4.29Å; P158-V161 PolarHBondContact O-N 2.72Å; V161-V165 HydrophobicContact CG1-CB 4.04Å; V161-V165 HydrophobicContact CG1-CG1 3.86Å; V161-F166 HydrophobicContact CG1-CB 3.92Å |
| 162 | S | 92.3 | Very high | 93.8 | Very high | 64 Ų | 64 | 62.4 Ų | 62.4 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | trans | -66.7 | 154.2 | 174.9 | 59.2 | 0 | 0 | 0 | 0 | 111.6 | D164 V165 F166 | S162-D164 VanDerWaalsContact C-N 3.34Å; S162-D164 PolarHBondContact O-N 2.95Å; S162-V165 PolarHBondContact O-N 3.03Å; S162-V165 WeakPolarHBondContact OG-CB 3.47Å; S162-V165 WeakPolarHBondContact OG-CG2 3.42Å; S162-F166 PolarHBondContact O-N 2.95Å; S162-F166 VanDerWaalsContact O-N 3.09Å | ||
| 163 | I | 89.9 | Confident | 94 | Very high | 54 Ų | 54 | 60.7 Ų | 60.7 | 28% | 0.277 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56 | -49.2 | -178.5 | -66.6 | 167.6 | 0 | 0 | 0 | 110.9 | V165 F166 A167 F183 F189 | I163-V165 PolarHBondContact O-N 2.71Å; I163-F166 PolarHBondContact O-N 3.28Å; I163-A167 WeakPolarHBondContact O-CB 3.14Å; I163-A167 PolarHBondContact O-N 3.19Å; I163-F183 HydrophobicContact CG2-CE1 4.41Å; I163-F183 HydrophobicContact CG2-CZ 4.08Å; I163-F189 HydrophobicContact CD1-CE2 4.18Å; I163-F189 HydrophobicContact CD1-CZ 4.22Å; I163-F189 HydrophobicContact CG2-CE2 3.76Å; I163-F189 HydrophobicContact CG2-CZ 3.9Å |
| 164 | D | 89.4 | Confident | 94.2 | Very high | 120 Ų | 120 | 64.3 Ų | 64.3 | 64% | 0.642 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.3 | -44.3 | -176.9 | -53.1 | -31.7 | 0 | 0 | 0 | 112.1 | S162 F166 A167 D168 | S162-D164 VanDerWaalsContact C-N 3.34Å; S162-D164 PolarHBondContact O-N 2.95Å; D164-F166 VanDerWaalsContact C-N 3.34Å; D164-F166 PolarHBondContact O-N 3.14Å; D164-A167 PolarHBondContact O-N 2.87Å; D164-D168 PolarHBondContact O-N 3.45Å |
| 165 | V | 93.3 | Very high | 94.4 | Very high | 49 Ų | 49 | 58.7 Ų | 58.7 | 30% | 0.297 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 179 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | N138 V161 S162 I163 D168 E169 | N138-V165 HydrophobicContact CB-CG1 4.19Å; V161-V165 HydrophobicContact CG1-CB 4.04Å; V161-V165 HydrophobicContact CG1-CG1 3.86Å; S162-V165 PolarHBondContact O-N 3.03Å; S162-V165 WeakPolarHBondContact OG-CB 3.47Å; S162-V165 WeakPolarHBondContact OG-CG2 3.42Å; I163-V165 PolarHBondContact O-N 2.71Å; V165-D168 PolarHBondContact O-N 2.99Å; V165-E169 WeakPolarHBondContact O-CG 3.39Å; V165-E169 PolarHBondContact O-N 3.16Å |
| 166 | F | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.7 | -38.4 | 178.3 | -167.6 | -110.7 | 0 | 0 | 0 | 112 | S141 I145 I155 R156 R157 V161 S162 I163 D164 D168 E169 I170 F183 | S141-F166 WeakPolarHBondContact O-CE2 3.49Å; I145-F166 HydrophobicContact CD1-CE2 4.33Å; I145-F166 HydrophobicContact CD1-CZ 4.47Å; I155-F166 HydrophobicContact CD1-CE1 4.15Å; I155-F166 HydrophobicContact CD1-CZ 4.05Å; I155-F166 HydrophobicContact CG1-CE1 3.94Å; I155-F166 HydrophobicContact CG1-CZ 4.27Å; R156-F166 WeakPolarHBondContact O-CZ 3.4Å; R157-F166 HydrophobicContact CB-CB 4.48Å; R157-F166 HydrophobicContact CB-CD1 3.6Å; R157-F166 HydrophobicContact CB-CE1 3.86Å; R157-F166 HydrophobicContact CB-CG 3.99Å; R157-F166 HydrophobicContact CB-CZ 4.5Å; R157-F166 HydrophobicContact CG-CB 3.72Å; R157-F166 HydrophobicContact CG-CD1 3.8Å; R157-F166 HydrophobicContact CG-CD2 4.28Å; R157-F166 HydrophobicContact CG-CE1 4.46Å; R157-F166 HydrophobicContact CG-CG 3.68Å; V161-F166 HydrophobicContact CG1-CB 3.92Å; S162-F166 PolarHBondContact O-N 2.95Å; S162-F166 VanDerWaalsContact O-N 3.09Å; I163-F166 PolarHBondContact O-N 3.28Å; D164-F166 VanDerWaalsContact C-N 3.34Å; D164-F166 PolarHBondContact O-N 3.14Å; F166-D168 VanDerWaalsContact C-N 3.31Å; F166-D168 PolarHBondContact O-N 3.43Å; F166-E169 PolarHBondContact O-N 2.88Å; F166-E169 VanDerWaalsContact O-N 3.14Å; F166-I170 HydrophobicContact CD1-CD1 3.76Å; F166-I170 HydrophobicContact CD1-CG1 4.21Å; F166-I170 HydrophobicContact CE1-CD1 3.68Å; F166-I170 HydrophobicContact CE1-CG1 4.07Å; F166-I170 WeakPolarHBondContact O-CG1 3.46Å; F166-I170 PolarHBondContact O-N 3.24Å; F166-F183 AromaticContact CD1-CD2 3.97Å; F166-F183 HydrophobicContact CD1-CD2 3.97Å; F166-F183 AromaticContact CD1-CE2 3.49Å; F166-F183 HydrophobicContact CD1-CE2 3.49Å; F166-F183 VanDerWaalsContact CD1-CE2 3.49Å; F166-F183 AromaticContact CD1-CZ 3.81Å; F166-F183 HydrophobicContact CD1-CZ 3.81Å; F166-F183 HydrophobicContact CE1-CD2 4.02Å; F166-F183 AromaticContact CE1-CE2 3.97Å; F166-F183 HydrophobicContact CE1-CE2 3.97Å |
| 167 | A | 93.9 | Very high | 94.3 | Very high | 16 Ų | 16 | 59.4 Ų | 59.4 | 13% | 0.132 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I163 D164 E169 I170 R171 M180 F183 | I163-A167 WeakPolarHBondContact O-CB 3.14Å; I163-A167 PolarHBondContact O-N 3.19Å; D164-A167 PolarHBondContact O-N 2.87Å; A167-E169 VanDerWaalsContact C-N 3.31Å; A167-E169 PolarHBondContact O-N 3.38Å; A167-I170 PolarHBondContact O-N 3.45Å; A167-R171 WeakPolarHBondContact O-CG 3.43Å; A167-R171 PolarHBondContact O-N 3.42Å; A167-M180 HydrophobicContact CB-CE 4.49Å; A167-M180 WeakPolarHBondContact O-CE 3.2Å; A167-F183 HydrophobicContact CB-CE1 3.96Å |
| 168 | D | 95.1 | Very high | 94.1 | Very high | 92 Ų | 92 | 62.5 Ų | 62.5 | 49% | 0.492 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.5 | -37.3 | 175 | -76.3 | -17.6 | 0 | 0 | 0 | 112.3 | D164 V165 F166 R171 F172 | D164-D168 PolarHBondContact O-N 3.45Å; V165-D168 PolarHBondContact O-N 2.99Å; F166-D168 VanDerWaalsContact C-N 3.31Å; F166-D168 PolarHBondContact O-N 3.43Å; D168-R171 PolarHBondContact O-N 3.4Å; D168-F172 WeakPolarHBondContact O-CB 3.36Å; D168-F172 PolarHBondContact O-N 3.44Å |
| 169 | E | 97.4 | Very high | 94 | Very high | 11 Ų | 11 | 61.9 Ų | 61.9 | 5% | 0.051 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.7 | -41.7 | 174.6 | -63.8 | -57.9 | 130.6 | 0 | 0 | 111.8 | R137 N138 I145 V165 F166 A167 R171 F172 Y173 | R137-E169 IonicContact CZ-OE1 3.89Å; R137-E169 VanDerWaalsContact CZ-OE1 3.29Å; R137-E169 IonicContact CZ-OE2 2.76Å; R137-E169 VanDerWaalsContact NE-CD 3.31Å; R137-E169 IonicContact NE-OE1 2.99Å; R137-E169 PolarHBondContact NE-OE1 3.24Å; R137-E169 IonicContact NE-OE2 3.75Å; R137-E169 PolarHBondContact NE-OE2 3.09Å; R137-E169 IonicContact NH2-OE1 3.81Å; R137-E169 PolarHBondContact NH2-OE1 3.14Å; R137-E169 IonicContact NH2-OE2 3.75Å; N138-E169 HydrophobicContact CB-CG 4.33Å; I145-E169 HydrophobicContact CD1-CB 4.3Å; V165-E169 WeakPolarHBondContact O-CG 3.39Å; V165-E169 PolarHBondContact O-N 3.16Å; F166-E169 PolarHBondContact O-N 2.88Å; F166-E169 VanDerWaalsContact O-N 3.14Å; A167-E169 VanDerWaalsContact C-N 3.31Å; A167-E169 PolarHBondContact O-N 3.38Å; E169-R171 VanDerWaalsContact C-N 3.29Å; E169-R171 PolarHBondContact O-N 3.18Å; E169-F172 PolarHBondContact O-N 2.95Å; E169-Y173 HydrophobicContact CB-CD2 4.38Å; E169-Y173 HydrophobicContact CB-CE2 4.5Å; E169-Y173 VanDerWaalsContact O-CD2 3.22Å; E169-Y173 WeakPolarHBondContact O-CD2 3.17Å; E169-Y173 PolarHBondContact O-N 3.3Å; E169-Y173 WeakPolarHBondContact OE2-CE2 3.41Å |
| 170 | I | 96.4 | Very high | 94 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.7 | -44.2 | 173.8 | -64.5 | 171 | 0 | 0 | 0 | 110.4 | I145 I155 F166 A167 Q174 L175 M180 F183 | I145-I170 HydrophobicContact CD1-CG1 4.18Å; I155-I170 HydrophobicContact CD1-CD1 4.13Å; I155-I170 HydrophobicContact CD1-CG1 4.09Å; I155-I170 HydrophobicContact CG1-CD1 3.95Å; I155-I170 HydrophobicContact CG1-CG1 4.46Å; F166-I170 HydrophobicContact CD1-CD1 3.76Å; F166-I170 HydrophobicContact CD1-CG1 4.21Å; F166-I170 HydrophobicContact CE1-CD1 3.68Å; F166-I170 HydrophobicContact CE1-CG1 4.07Å; F166-I170 WeakPolarHBondContact O-CG1 3.46Å; F166-I170 PolarHBondContact O-N 3.24Å; A167-I170 PolarHBondContact O-N 3.45Å; I170-Q174 PolarHBondContact O-N 3.37Å; I170-Q174 VanDerWaalsContact O-N 3.16Å; I170-L175 HydrophobicContact CG1-CD1 4.38Å; I170-L175 HydrophobicContact CG2-CB 4.03Å; I170-L175 HydrophobicContact CG2-CD1 4.24Å; I170-L175 HydrophobicContact CG2-CG 4.32Å; I170-L175 PolarHBondContact O-N 3.4Å; I170-M180 HydrophobicContact CB-CE 3.75Å; I170-M180 HydrophobicContact CG2-CB 4.45Å; I170-M180 HydrophobicContact CG2-CE 3.56Å; I170-F183 HydrophobicContact CD1-CB 3.83Å; I170-F183 HydrophobicContact CD1-CD1 3.53Å; I170-F183 HydrophobicContact CD1-CD2 3.97Å; I170-F183 HydrophobicContact CD1-CE1 4.07Å; I170-F183 HydrophobicContact CD1-CE2 4.47Å; I170-F183 HydrophobicContact CD1-CG 3.46Å; I170-F183 VanDerWaalsContact CD1-CG 3.46Å |
| 171 | R | 96.6 | Very high | 93.8 | Very high | 158 Ų | 158 | 53.4 Ų | 53.4 | 60% | 0.596 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.5 | -45.9 | 175.6 | -70.6 | -177.5 | -169.9 | -135.3 | 9.5 | 111.5 | A167 D168 E169 Q174 M180 | A167-R171 WeakPolarHBondContact O-CG 3.43Å; A167-R171 PolarHBondContact O-N 3.42Å; D168-R171 PolarHBondContact O-N 3.4Å; E169-R171 VanDerWaalsContact C-N 3.29Å; E169-R171 PolarHBondContact O-N 3.18Å; R171-Q174 PolarHBondContact O-N 2.86Å; R171-Q174 VanDerWaalsContact O-N 3.14Å; R171-M180 HydrophobicContact CG-CE 3.62Å |
| 172 | F | 97.6 | Very high | 93.6 | Very high | 44 Ų | 44 | 58.5 Ų | 58.5 | 19% | 0.193 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -47.4 | -179 | 172.8 | -97.5 | 0 | 0 | 0 | 112.5 | L115 Y125 F135 R137 D168 E169 Q174 | L115-F172 HydrophobicContact CD1-CE1 4.04Å; L115-F172 HydrophobicContact CD1-CZ 4.04Å; L115-F172 WeakPolarHBondContact CD1-O 3.06Å; Y125-F172 HydrophobicContact CE1-CZ 4.23Å; F135-F172 AromaticContact CD1-CE1 3.73Å; F135-F172 HydrophobicContact CD1-CE1 3.73Å; F135-F172 AromaticContact CD1-CZ 3.91Å; F135-F172 HydrophobicContact CD1-CZ 3.91Å; F135-F172 AromaticContact CE1-CE1 3.97Å; F135-F172 HydrophobicContact CE1-CE1 3.97Å; F135-F172 HydrophobicContact CE1-CZ 4.15Å; R137-F172 HydrophobicContact CG-CE1 4.46Å; R137-F172 VanDerWaalsContact NE-CD1 3.31Å; R137-F172 VanDerWaalsContact NH1-CE2 3.3Å; D168-F172 WeakPolarHBondContact O-CB 3.36Å; D168-F172 PolarHBondContact O-N 3.44Å; E169-F172 PolarHBondContact O-N 2.95Å; F172-Q174 PolarHBondContact O-N 3.48Å |
| 173 | Y | 98 | Very high | 93.5 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -1.1 | 178 | -71.9 | -70.3 | 0 | 0 | 0 | 113.1 | I96 L115 L116 F135 F142 I145 E169 L175 | I96-Y173 WeakPolarHBondContact CD1-OH 3.4Å; L115-Y173 VanDerWaalsContact CB-O 3.31Å; L115-Y173 WeakPolarHBondContact CB-O 3.38Å; L115-Y173 HydrophobicContact CD2-CD1 4.37Å; L115-Y173 PolarHBondContact N-O 3.48Å; L116-Y173 HydrophobicContact CD1-CD1 4.01Å; L116-Y173 HydrophobicContact CD1-CE1 4.21Å; L116-Y173 HydrophobicContact CD2-CD1 4.45Å; L116-Y173 HydrophobicContact CD2-CE1 4.38Å; L116-Y173 HydrophobicContact CG-CD1 4.01Å; L116-Y173 HydrophobicContact CG-CE1 4.35Å; F135-Y173 HydrophobicContact CD1-CE1 4.21Å; F135-Y173 HydrophobicContact CE1-CE1 4.15Å; F135-Y173 HydrophobicContact CG-CE1 4.45Å; F135-Y173 HydrophobicContact CZ-CE1 4.35Å; F142-Y173 HydrophobicContact CD2-CE1 4.24Å; F142-Y173 AromaticContact CD2-CE2 3.93Å; F142-Y173 HydrophobicContact CD2-CE2 3.93Å; F142-Y173 AromaticContact CD2-CZ 3.6Å; F142-Y173 WeakPolarHBondContact CD2-OH 3.39Å; F142-Y173 AromaticContact CE2-CE1 3.8Å; F142-Y173 HydrophobicContact CE2-CE1 3.8Å; F142-Y173 HydrophobicContact CE2-CE2 4.28Å; F142-Y173 AromaticContact CE2-CZ 3.65Å; I145-Y173 HydrophobicContact CB-CD2 4.32Å; I145-Y173 HydrophobicContact CD1-CD2 4.02Å; I145-Y173 HydrophobicContact CG1-CD2 3.77Å; I145-Y173 HydrophobicContact CG1-CE2 4.11Å; I145-Y173 HydrophobicContact CG2-CD1 4.32Å; I145-Y173 HydrophobicContact CG2-CD2 3.73Å; I145-Y173 HydrophobicContact CG2-CE2 4.28Å; I145-Y173 HydrophobicContact CG2-CG 3.77Å; E169-Y173 HydrophobicContact CB-CD2 4.38Å; E169-Y173 HydrophobicContact CB-CE2 4.5Å; E169-Y173 VanDerWaalsContact O-CD2 3.22Å; E169-Y173 WeakPolarHBondContact O-CD2 3.17Å; E169-Y173 PolarHBondContact O-N 3.3Å; E169-Y173 WeakPolarHBondContact OE2-CE2 3.41Å; Y173-L175 VanDerWaalsContact C-N 3.33Å; Y173-L175 PolarHBondContact O-N 3.39Å |
| 174 | Q | 97.3 | Very high | 93.4 | Very high | 85 Ų | 85 | 58.5 Ų | 58.5 | 40% | 0.397 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 46.3 | 174.8 | -58.1 | 172.8 | 22 | 0 | 0 | 112 | T114 I170 R171 F172 G176 | T114-Q174 WeakPolarHBondContact CA-O 3.29Å; I170-Q174 PolarHBondContact O-N 3.37Å; I170-Q174 VanDerWaalsContact O-N 3.16Å; R171-Q174 PolarHBondContact O-N 2.86Å; R171-Q174 VanDerWaalsContact O-N 3.14Å; F172-Q174 PolarHBondContact O-N 3.48Å; Q174-G176 PolarHBondContact O-N 2.65Å; Q174-G176 VanDerWaalsContact O-N 3.1Å |
| 175 | L | 96.6 | Very high | 93.1 | Very high | 12 Ų | 12 | 58.2 Ų | 58.2 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | trans | -67.7 | -8.3 | -179.5 | -56 | -171.4 | 0 | 0 | 0 | 113.5 | T114 I145 F148 Y149 I155 I170 Y173 A179 | T114-L175 HydrophobicContact CG2-CD2 4.21Å; I145-L175 HydrophobicContact CD1-CD1 3.8Å; I145-L175 HydrophobicContact CG2-CD2 4.48Å; F148-L175 HydrophobicContact CB-CD1 4.4Å; F148-L175 HydrophobicContact CD1-CD1 4.2Å; F148-L175 HydrophobicContact CD1-CD2 3.97Å; F148-L175 HydrophobicContact CD2-CD1 4.45Å; F148-L175 HydrophobicContact CE1-CD2 4.05Å; F148-L175 HydrophobicContact CG-CD1 4.11Å; F148-L175 HydrophobicContact CZ-CB 4.49Å; Y149-L175 HydrophobicContact CE2-CD2 3.98Å; Y149-L175 WeakPolarHBondContact OH-CD2 3.35Å; I155-L175 HydrophobicContact CD1-CD1 3.6Å; I170-L175 HydrophobicContact CG1-CD1 4.38Å; I170-L175 HydrophobicContact CG2-CB 4.03Å; I170-L175 HydrophobicContact CG2-CD1 4.24Å; I170-L175 HydrophobicContact CG2-CG 4.32Å; I170-L175 PolarHBondContact O-N 3.4Å; Y173-L175 VanDerWaalsContact C-N 3.33Å; Y173-L175 PolarHBondContact O-N 3.39Å; L175-A179 HydrophobicContact CB-CB 3.82Å; L175-A179 WeakPolarHBondContact O-CB 3.47Å | ||
| 176 | G | 93.4 | Very high | 92.8 | Very high | 42 Ų | 42 | 61.6 Ų | 61.6 | 43% | 0.433 | 29% | 0.293 | S | S | . | . | trans | 96.2 | 162.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q174 E178 A179 M180 | Q174-G176 PolarHBondContact O-N 2.65Å; Q174-G176 VanDerWaalsContact O-N 3.1Å; G176-E178 VanDerWaalsContact C-N 3.32Å; G176-E178 PolarHBondContact O-N 2.95Å; G176-A179 PolarHBondContact O-N 3.17Å; G176-M180 PolarHBondContact O-N 2.74Å; G176-M180 VanDerWaalsContact O-N 3.15Å | ||
| 177 | E | 90.6 | Very high | 92.3 | Very high | 148 Ų | 148 | 64.1 Ų | 64.1 | 69% | 0.692 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.8 | -36.7 | 178.9 | -68.4 | -61 | 149.1 | 0 | 0 | 111.7 | A179 M180 E181 | E177-A179 VanDerWaalsContact C-N 3.35Å; E177-A179 PolarHBondContact O-N 3.15Å; E177-M180 CarbonylContact O-C 3.59Å; E177-M180 WeakPolarHBondContact O-CB 3.47Å; E177-M180 PolarHBondContact O-N 3.33Å; E177-M180 VanDerWaalsContact O-N 3.17Å; E177-E181 WeakPolarHBondContact O-CB 3.4Å; E177-E181 WeakPolarHBondContact O-CG 3.29Å; E177-E181 PolarHBondContact O-N 3.33Å |
| 178 | E | 90.4 | Very high | 91.5 | Very high | 125 Ų | 125 | 64.9 Ų | 64.9 | 58% | 0.584 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.7 | -40.8 | 178.5 | -171.2 | -179.2 | -179.2 | 0 | 0 | 112.2 | G176 E181 R182 | G176-E178 VanDerWaalsContact C-N 3.32Å; G176-E178 PolarHBondContact O-N 2.95Å; E178-E181 PolarHBondContact O-N 3.4Å; E178-R182 WeakPolarHBondContact O-CG 3.4Å; E178-R182 PolarHBondContact O-N 3.42Å; E178-R182 IonicContact OE1-CZ 3.51Å; E178-R182 IonicContact OE1-NE 2.88Å; E178-R182 IonicContact OE1-NH2 3.1Å; E178-R182 PolarHBondContact OE1-NH2 2.78Å |
| 179 | A | 91.9 | Very high | 90.6 | Very high | 7 Ų | 7 | 65.5 Ų | 65.5 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.3 | -37.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F148 L175 G176 E177 F183 | F148-A179 HydrophobicContact CE2-CB 3.85Å; F148-A179 HydrophobicContact CZ-CB 4.32Å; L175-A179 HydrophobicContact CB-CB 3.82Å; L175-A179 WeakPolarHBondContact O-CB 3.47Å; G176-A179 PolarHBondContact O-N 3.17Å; E177-A179 VanDerWaalsContact C-N 3.35Å; E177-A179 PolarHBondContact O-N 3.15Å; A179-F183 VanDerWaalsContact O-CB 3.29Å; A179-F183 WeakPolarHBondContact O-CB 3.44Å; A179-F183 PolarHBondContact O-N 3.45Å |
| 180 | M | 91.1 | Very high | 89 | Confident | 8 Ų | 8 | 69.9 Ų | 69.9 | 4% | 0.039 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66 | -42.2 | 174.9 | -179.1 | 60.6 | 69.8 | 0 | 0 | 112 | A167 I170 R171 G176 E177 F183 R184 | A167-M180 HydrophobicContact CB-CE 4.49Å; A167-M180 WeakPolarHBondContact O-CE 3.2Å; I170-M180 HydrophobicContact CB-CE 3.75Å; I170-M180 HydrophobicContact CG2-CB 4.45Å; I170-M180 HydrophobicContact CG2-CE 3.56Å; R171-M180 HydrophobicContact CG-CE 3.62Å; G176-M180 PolarHBondContact O-N 2.74Å; G176-M180 VanDerWaalsContact O-N 3.15Å; E177-M180 CarbonylContact O-C 3.59Å; E177-M180 WeakPolarHBondContact O-CB 3.47Å; E177-M180 PolarHBondContact O-N 3.33Å; E177-M180 VanDerWaalsContact O-N 3.17Å; M180-F183 PolarHBondContact O-N 3.41Å; M180-F183 HydrophobicContact SD-CD1 3.98Å; M180-R184 WeakPolarHBondContact O-CB 3.48Å; M180-R184 VanDerWaalsContact O-CG 3.3Å; M180-R184 WeakPolarHBondContact O-CG 3.44Å; M180-R184 PolarHBondContact O-N 3.03Å |
| 181 | E | 88.6 | Confident | 87.5 | Confident | 78 Ų | 78 | 76.2 Ų | 76.2 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.8 | -47.7 | 176.2 | -75.2 | -170.7 | 152 | 0 | 0 | 111 | E177 E178 F183 R184 E185 K191 | E177-E181 WeakPolarHBondContact O-CB 3.4Å; E177-E181 WeakPolarHBondContact O-CG 3.29Å; E177-E181 PolarHBondContact O-N 3.33Å; E178-E181 PolarHBondContact O-N 3.4Å; E181-F183 VanDerWaalsContact C-N 3.32Å; E181-F183 PolarHBondContact O-N 3.47Å; E181-R184 WeakPolarHBondContact O-CB 3.34Å; E181-R184 PolarHBondContact O-N 3.29Å; E181-R184 VanDerWaalsContact O-N 3.15Å; E181-E185 WeakPolarHBondContact O-CG 3.47Å; E181-E185 PolarHBondContact O-N 3.48Å; E181-K191 IonicContact OE1-NZ 2.84Å; E181-K191 PolarHBondContact OE1-NZ 2.95Å; E181-K191 IonicContact OE2-NZ 2.93Å |
| 182 | R | 88.3 | Confident | 85.8 | Confident | 114 Ų | 114 | 75.1 Ų | 75.1 | 43% | 0.43 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 175.3 | -71 | 179.3 | -172.3 | -177.3 | 3.1 | 112.6 | I155 E178 E185 D186 | I155-R182 HydrophobicContact CG2-CB 4.45Å; E178-R182 WeakPolarHBondContact O-CG 3.4Å; E178-R182 PolarHBondContact O-N 3.42Å; E178-R182 IonicContact OE1-CZ 3.51Å; E178-R182 IonicContact OE1-NE 2.88Å; E178-R182 IonicContact OE1-NH2 3.1Å; E178-R182 PolarHBondContact OE1-NH2 2.78Å; R182-E185 PolarHBondContact O-N 3.47Å; R182-D186 WeakPolarHBondContact O-CB 3.45Å; R182-D186 PolarHBondContact O-N 3.34Å |
| 183 | F | 91.1 | Very high | 84.1 | Confident | 4 Ų | 4 | 81.8 Ų | 81.8 | 2% | 0.018 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.2 | -46 | 174 | 165.6 | -112.3 | 0 | 0 | 0 | 111.5 | I155 R157 I163 F166 A167 I170 A179 M180 E181 D186 E187 | I155-F183 HydrophobicContact CG1-CB 4.24Å; I155-F183 HydrophobicContact CG2-CB 3.73Å; R157-F183 HydrophobicContact CB-CE2 3.94Å; I163-F183 HydrophobicContact CG2-CE1 4.41Å; I163-F183 HydrophobicContact CG2-CZ 4.08Å; F166-F183 AromaticContact CD1-CD2 3.97Å; F166-F183 HydrophobicContact CD1-CD2 3.97Å; F166-F183 AromaticContact CD1-CE2 3.49Å; F166-F183 HydrophobicContact CD1-CE2 3.49Å; F166-F183 VanDerWaalsContact CD1-CE2 3.49Å; F166-F183 AromaticContact CD1-CZ 3.81Å; F166-F183 HydrophobicContact CD1-CZ 3.81Å; F166-F183 HydrophobicContact CE1-CD2 4.02Å; F166-F183 AromaticContact CE1-CE2 3.97Å; F166-F183 HydrophobicContact CE1-CE2 3.97Å; A167-F183 HydrophobicContact CB-CE1 3.96Å; I170-F183 HydrophobicContact CD1-CB 3.83Å; I170-F183 HydrophobicContact CD1-CD1 3.53Å; I170-F183 HydrophobicContact CD1-CD2 3.97Å; I170-F183 HydrophobicContact CD1-CE1 4.07Å; I170-F183 HydrophobicContact CD1-CE2 4.47Å; I170-F183 HydrophobicContact CD1-CG 3.46Å; I170-F183 VanDerWaalsContact CD1-CG 3.46Å; A179-F183 VanDerWaalsContact O-CB 3.29Å; A179-F183 WeakPolarHBondContact O-CB 3.44Å; A179-F183 PolarHBondContact O-N 3.45Å; M180-F183 PolarHBondContact O-N 3.41Å; M180-F183 HydrophobicContact SD-CD1 3.98Å; E181-F183 VanDerWaalsContact C-N 3.32Å; E181-F183 PolarHBondContact O-N 3.47Å; F183-D186 PolarHBondContact O-N 2.99Å; F183-E187 HydrophobicContact CD2-CG 3.8Å; F183-E187 HydrophobicContact CE2-CG 3.29Å; F183-E187 WeakPolarHBondContact CE2-OE1 3.42Å; F183-E187 HydrophobicContact CZ-CG 3.74Å; F183-E187 WeakPolarHBondContact O-CB 3.31Å; F183-E187 VanDerWaalsContact O-CG 3.31Å; F183-E187 WeakPolarHBondContact O-CG 3.41Å; F183-E187 PolarHBondContact O-N 3.49Å |
| 184 | R | 87.3 | Confident | 82.5 | Confident | 113 Ų | 113 | 90.6 Ų | 90.6 | 43% | 0.426 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.9 | -48 | 176.4 | -78.2 | 177.7 | -174 | -144.6 | 7.2 | 111.1 | M180 E181 D186 E187 G188 F189 | M180-R184 WeakPolarHBondContact O-CB 3.48Å; M180-R184 VanDerWaalsContact O-CG 3.3Å; M180-R184 WeakPolarHBondContact O-CG 3.44Å; M180-R184 PolarHBondContact O-N 3.03Å; E181-R184 WeakPolarHBondContact O-CB 3.34Å; E181-R184 PolarHBondContact O-N 3.29Å; E181-R184 VanDerWaalsContact O-N 3.15Å; R184-D186 PolarHBondContact O-N 3.4Å; R184-E187 PolarHBondContact O-N 3.43Å; R184-G188 PolarHBondContact O-N 3.31Å; R184-F189 CarbonylContact C-O 3.6Å; R184-F189 HydrophobicContact CB-CB 3.9Å; R184-F189 HydrophobicContact CG-CB 4.41Å; R184-F189 WeakPolarHBondContact O-CA 3.4Å; R184-F189 VanDerWaalsContact O-CB 3.29Å; R184-F189 WeakPolarHBondContact O-CB 3.5Å; R184-F189 PolarHBondContact O-N 3.01Å |
| 185 | E | 84.5 | Confident | 81.3 | Confident | 114 Ų | 114 | 93.2 Ų | 93.2 | 53% | 0.533 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 178.4 | -71.8 | 177.6 | 178.6 | 0 | 0 | 112.2 | E181 R182 E187 G188 | E181-E185 WeakPolarHBondContact O-CG 3.47Å; E181-E185 PolarHBondContact O-N 3.48Å; R182-E185 PolarHBondContact O-N 3.47Å; E185-E187 VanDerWaalsContact C-N 3.34Å; E185-E187 PolarHBondContact O-N 2.93Å; E185-G188 WeakPolarHBondContact O-CA 3.3Å; E185-G188 PolarHBondContact O-N 3.46Å |
| 186 | D | 85.9 | Confident | 80.4 | Confident | 120 Ų | 120 | 95.8 Ų | 95.8 | 64% | 0.642 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.6 | -32.8 | 179.4 | -85.1 | -2.7 | 0 | 0 | 0 | 112.8 | R182 F183 R184 G188 | R182-D186 WeakPolarHBondContact O-CB 3.45Å; R182-D186 PolarHBondContact O-N 3.34Å; F183-D186 PolarHBondContact O-N 2.99Å; R184-D186 PolarHBondContact O-N 3.4Å; D186-G188 PolarHBondContact O-N 2.99Å |
| 187 | E | 86.4 | Confident | 80 | Confident | 53 Ų | 53 | 97.7 Ų | 97.7 | 25% | 0.248 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -1.6 | 172.1 | -68 | -67.6 | 165.3 | 0 | 0 | 112.9 | R157 F183 R184 E185 F189 | R157-E187 WeakPolarHBondContact CB-OE1 3.39Å; R157-E187 IonicContact CZ-OE1 2.94Å; R157-E187 IonicContact CZ-OE2 3.74Å; R157-E187 VanDerWaalsContact NE-CD 3.3Å; R157-E187 IonicContact NE-OE1 2.74Å; R157-E187 PolarHBondContact NE-OE1 3.4Å; R157-E187 IonicContact NE-OE2 3.89Å; R157-E187 PolarHBondContact NE-OE2 2.79Å; R157-E187 IonicContact NH2-OE1 3.31Å; R157-E187 PolarHBondContact NH2-OE1 2.87Å; R157-E187 IonicContact NH2-OE2 2.74Å; R157-E187 PolarHBondContact NH2-OE2 3.2Å; F183-E187 HydrophobicContact CD2-CG 3.8Å; F183-E187 HydrophobicContact CE2-CG 3.29Å; F183-E187 WeakPolarHBondContact CE2-OE1 3.42Å; F183-E187 HydrophobicContact CZ-CG 3.74Å; F183-E187 WeakPolarHBondContact O-CB 3.31Å; F183-E187 VanDerWaalsContact O-CG 3.31Å; F183-E187 WeakPolarHBondContact O-CG 3.41Å; F183-E187 PolarHBondContact O-N 3.49Å; R184-E187 PolarHBondContact O-N 3.43Å; E185-E187 VanDerWaalsContact C-N 3.34Å; E185-E187 PolarHBondContact O-N 2.93Å; E187-F189 HydrophobicContact CB-CD2 3.7Å; E187-F189 HydrophobicContact CB-CE2 3.76Å |
| 188 | G | 76.6 | Confident | 79.8 | Confident | 33 Ų | 33 | 91 Ų | 91 | 34% | 0.34 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 15.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R184 E185 D186 I190 Y467 | R184-G188 PolarHBondContact O-N 3.31Å; E185-G188 WeakPolarHBondContact O-CA 3.3Å; E185-G188 PolarHBondContact O-N 3.46Å; D186-G188 PolarHBondContact O-N 2.99Å; G188-I190 PolarHBondContact O-N 3.15Å; G188-Y467 PolarHBondContact O-OH 3.34Å |
| 189 | F | 76.2 | Confident | 79.5 | Confident | 104 Ų | 104 | 94.1 Ų | 94.1 | 46% | 0.456 | 45% | 0.449 | S | S | . | . | trans | -78.4 | 100.4 | 166.3 | -61.7 | -88.2 | 0 | 0 | 0 | 109 | I163 R184 E187 K191 | I163-F189 HydrophobicContact CD1-CE2 4.18Å; I163-F189 HydrophobicContact CD1-CZ 4.22Å; I163-F189 HydrophobicContact CG2-CE2 3.76Å; I163-F189 HydrophobicContact CG2-CZ 3.9Å; R184-F189 CarbonylContact C-O 3.6Å; R184-F189 HydrophobicContact CB-CB 3.9Å; R184-F189 HydrophobicContact CG-CB 4.41Å; R184-F189 WeakPolarHBondContact O-CA 3.4Å; R184-F189 VanDerWaalsContact O-CB 3.29Å; R184-F189 WeakPolarHBondContact O-CB 3.5Å; R184-F189 PolarHBondContact O-N 3.01Å; E187-F189 HydrophobicContact CB-CD2 3.7Å; E187-F189 HydrophobicContact CB-CE2 3.76Å; F189-K191 PolarHBondContact O-N 2.79Å | ||
| 190 | I | 65.2 | Low | 79.4 | Confident | 103 Ų | 103 | 98.2 Ų | 98.2 | 53% | 0.528 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 128.2 | 173.6 | -60.1 | 159.7 | 0 | 0 | 0 | 108.2 | G188 E192 | G188-I190 PolarHBondContact O-N 3.15Å; I190-E192 PolarHBondContact O-N 2.93Å |
| 191 | K | 63.7 | Low | 79.4 | Confident | 136 Ų | 136 | 104.1 Ų | 104.1 | 59% | 0.591 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -51.5 | 124.3 | 174.4 | -171.9 | 163.3 | -177.3 | 156.3 | 0 | 109.5 | E181 F189 E193 | E181-K191 IonicContact OE1-NZ 2.84Å; E181-K191 PolarHBondContact OE1-NZ 2.95Å; E181-K191 IonicContact OE2-NZ 2.93Å; F189-K191 PolarHBondContact O-N 2.79Å; K191-E193 PolarHBondContact O-N 3.47Å; K191-E193 VanDerWaalsContact O-N 3.11Å |
| 192 | E | 62.1 | Low | 79.5 | Confident | 134 Ų | 134 | 107.9 Ų | 107.9 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 118.2 | 175 | -69.4 | -176.8 | 175.1 | 0 | 0 | 107.9 | I190 E194 Q475 | I190-E192 PolarHBondContact O-N 2.93Å; E192-E194 PolarHBondContact O-N 2.92Å; E192-Q475 PolarHBondContact OE1-NE2 3.23Å |
| 193 | E | 61.1 | Low | 79.6 | Confident | 185 Ų | 185 | 105.7 Ų | 105.7 | 86% | 0.864 | 51% | 0.508 | S | S | * | . | trans | -61 | 106.6 | 167.1 | -94 | -178.3 | 156 | 0 | 0 | 106.9 | K191 K195 | K191-E193 PolarHBondContact O-N 3.47Å; K191-E193 VanDerWaalsContact O-N 3.11Å; E193-K195 PolarHBondContact O-N 3.31Å | ||
| 194 | E | 65.1 | Low | 79.6 | Confident | 184 Ų | 184 | 108.4 Ų | 108.4 | 86% | 0.86 | 52% | 0.52 | S | S | * | . | trans | -56 | 111.4 | 173.1 | -77 | -172.7 | 172.2 | 0 | 0 | 108.3 | E192 P196 | E192-E194 PolarHBondContact O-N 2.92Å; E194-P196 VanDerWaalsContact O-CD 3.27Å; E194-P196 WeakPolarHBondContact O-CD 3.34Å; E194-P196 VanDerWaalsContact O-N 3.15Å | ||
| 195 | K | 72.1 | Confident | 79.8 | Confident | 140 Ų | 140 | 108.9 Ų | 108.9 | 61% | 0.609 | 53% | 0.527 | S | S | * | . | trans | -68 | 115.9 | -178.4 | -60 | -178.7 | -168.8 | 168.9 | 0 | 107.4 | E193 L197 Y212 | E193-K195 PolarHBondContact O-N 3.31Å; K195-L197 PolarHBondContact O-N 3.46Å; K195-Y212 WeakPolarHBondContact CB-OH 3.35Å; K195-Y212 HydrophobicContact CD-CE1 3.85Å; K195-Y212 WeakPolarHBondContact CD-OH 3.45Å | ||
| 196 | P | 76.6 | Confident | 80.2 | Confident | 67 Ų | 67 | 105 Ų | 105 | 44% | 0.435 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 131.4 | -176 | 23.4 | -32.6 | 0 | 0 | 0 | 109.7 | E194 P296 | E194-P196 VanDerWaalsContact O-CD 3.27Å; E194-P196 WeakPolarHBondContact O-CD 3.34Å; E194-P196 VanDerWaalsContact O-N 3.15Å; P196-P296 HydrophobicContact CB-CB 4.38Å; P196-P296 HydrophobicContact CB-CG 4.31Å; P196-P296 HydrophobicContact CG-CG 4.16Å; P196-P296 WeakPolarHBondContact O-CG 3.43Å |
| 197 | L | 84.4 | Confident | 80.5 | Confident | 82 Ų | 82 | 100 Ų | 100 | 43% | 0.429 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -97 | 147.6 | 175.7 | -68.5 | 171.1 | 0 | 0 | 0 | 110.2 | K195 L208 | K195-L197 PolarHBondContact O-N 3.46Å; L197-L208 HydrophobicContact CD2-CD2 4.34Å |
| 198 | P | 87.1 | Confident | 80.7 | Confident | 8 Ų | 8 | 100.1 Ų | 100.1 | 5% | 0.052 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 142.1 | 172 | -19.5 | 31.2 | 0 | 0 | 0 | 110.8 | N200 Q203 K204 W207 A294 | P198-N200 VanDerWaalsContact C-N 3.35Å; P198-N200 PolarHBondContact O-N 2.73Å; P198-Q203 HydrophobicContact CB-CB 3.78Å; P198-Q203 HydrophobicContact CG-CB 4.4Å; P198-K204 HydrophobicContact CB-CB 4.49Å; P198-W207 HydrophobicContact CG-CB 3.89Å; P198-W207 HydrophobicContact CG-CG 3.98Å; P198-A294 WeakPolarHBondContact CG-O 3.05Å |
| 199 | Q | 84.4 | Confident | 81.5 | Confident | 189 Ų | 189 | 100.4 Ų | 100.4 | 88% | 0.883 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -68.8 | -33 | -179.9 | -67 | 179.7 | -3.4 | 0 | 0 | 112.8 | ||
| 200 | N | 90.8 | Very high | 82.2 | Confident | 94 Ų | 94 | 96.7 Ų | 96.7 | 50% | 0.503 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -82.1 | 129.8 | -179.1 | -66 | -48.5 | 0 | 0 | 0 | 110.9 | P198 F202 Q203 K204 | P198-N200 VanDerWaalsContact C-N 3.35Å; P198-N200 PolarHBondContact O-N 2.73Å; N200-F202 VanDerWaalsContact C-N 3.33Å; N200-F202 PolarHBondContact O-N 3.28Å; N200-Q203 HydrophobicContact CB-CB 4.09Å; N200-Q203 HydrophobicContact CB-CG 4.05Å; N200-Q203 PolarHBondContact ND2-OE1 2.95Å; N200-Q203 PolarHBondContact O-N 3.03Å; N200-K204 WeakPolarHBondContact O-CB 3.37Å; N200-K204 PolarHBondContact O-N 3.04Å |
| 201 | E | 89.8 | Confident | 83.3 | Confident | 132 Ų | 132 | 93.1 Ų | 93.1 | 62% | 0.617 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -57.5 | -41.2 | -178.7 | -72.5 | -59.7 | 142.3 | 0 | 0 | 113.4 | K204 Q205 | E201-K204 PolarHBondContact O-N 3.1Å; E201-K204 IonicContact OE1-NZ 3.09Å; E201-Q205 WeakPolarHBondContact O-CB 3.35Å; E201-Q205 PolarHBondContact O-N 2.84Å |
| 202 | F | 90.6 | Very high | 84.5 | Confident | 157 Ų | 157 | 89.5 Ų | 89.5 | 69% | 0.689 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.8 | -44.1 | 175.8 | 179.4 | -101.5 | 0 | 0 | 0 | 112.2 | N200 K204 Q205 V206 | N200-F202 VanDerWaalsContact C-N 3.33Å; N200-F202 PolarHBondContact O-N 3.28Å; F202-K204 VanDerWaalsContact C-N 3.34Å; F202-Q205 PolarHBondContact O-N 3.13Å; F202-V206 HydrophobicContact CD1-CG2 4.41Å; F202-V206 HydrophobicContact CE1-CG2 3.97Å; F202-V206 HydrophobicContact CE2-CG2 4.22Å; F202-V206 HydrophobicContact CZ-CG2 3.86Å; F202-V206 WeakPolarHBondContact O-CG2 3.3Å; F202-V206 PolarHBondContact O-N 3.21Å |
| 203 | Q | 90.8 | Very high | 85.6 | Confident | 67 Ų | 67 | 84.6 Ų | 84.6 | 31% | 0.313 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 178.1 | -70.3 | 176.3 | -25.5 | 0 | 0 | 111 | P198 N200 V206 W207 | P198-Q203 HydrophobicContact CB-CB 3.78Å; P198-Q203 HydrophobicContact CG-CB 4.4Å; N200-Q203 HydrophobicContact CB-CB 4.09Å; N200-Q203 HydrophobicContact CB-CG 4.05Å; N200-Q203 PolarHBondContact ND2-OE1 2.95Å; N200-Q203 PolarHBondContact O-N 3.03Å; Q203-V206 PolarHBondContact O-N 3.36Å; Q203-W207 WeakPolarHBondContact O-CB 3.15Å; Q203-W207 PolarHBondContact O-N 3.11Å |
| 204 | K | 91.4 | Very high | 86.6 | Confident | 62 Ų | 62 | 82 Ų | 82 | 27% | 0.27 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 174.5 | 179 | 179.2 | 168.6 | -172.8 | 0 | 111.3 | P198 N200 E201 F202 W207 L208 | P198-K204 HydrophobicContact CB-CB 4.49Å; N200-K204 WeakPolarHBondContact O-CB 3.37Å; N200-K204 PolarHBondContact O-N 3.04Å; E201-K204 PolarHBondContact O-N 3.1Å; E201-K204 IonicContact OE1-NZ 3.09Å; F202-K204 VanDerWaalsContact C-N 3.34Å; K204-W207 PolarHBondContact O-N 2.97Å; K204-L208 HydrophobicContact CG-CD1 4.15Å; K204-L208 WeakPolarHBondContact O-CB 2.96Å; K204-L208 VanDerWaalsContact O-CG 3.25Å; K204-L208 WeakPolarHBondContact O-CG 3.43Å; K204-L208 PolarHBondContact O-N 2.93Å |
| 205 | Q | 90.9 | Very high | 87.6 | Confident | 122 Ų | 122 | 75.6 Ų | 75.6 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.8 | -45.9 | 177.2 | -170.2 | 175.5 | 10.2 | 0 | 0 | 112 | E201 F202 L208 I209 | E201-Q205 WeakPolarHBondContact O-CB 3.35Å; E201-Q205 PolarHBondContact O-N 2.84Å; F202-Q205 PolarHBondContact O-N 3.13Å; Q205-L208 PolarHBondContact O-N 3.16Å; Q205-I209 HydrophobicContact CG-CD1 4.16Å; Q205-I209 VanDerWaalsContact O-CG1 3.29Å; Q205-I209 WeakPolarHBondContact O-CG1 3.12Å; Q205-I209 PolarHBondContact O-N 3.41Å; Q205-I209 VanDerWaalsContact O-N 3.14Å |
| 206 | V | 93.3 | Very high | 88.5 | Confident | 32 Ų | 32 | 70.9 Ų | 70.9 | 19% | 0.194 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.2 | -43 | 176.5 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | F202 Q203 I209 F210 V290 A294 | F202-V206 HydrophobicContact CD1-CG2 4.41Å; F202-V206 HydrophobicContact CE1-CG2 3.97Å; F202-V206 HydrophobicContact CE2-CG2 4.22Å; F202-V206 HydrophobicContact CZ-CG2 3.86Å; F202-V206 WeakPolarHBondContact O-CG2 3.3Å; F202-V206 PolarHBondContact O-N 3.21Å; Q203-V206 PolarHBondContact O-N 3.36Å; V206-I209 PolarHBondContact O-N 3.45Å; V206-F210 HydrophobicContact CG1-CD2 4.23Å; V206-F210 PolarHBondContact O-N 3.17Å; V206-F210 VanDerWaalsContact O-N 3.1Å; V206-V290 HydrophobicContact CG1-CG1 3.45Å; V206-V290 VanDerWaalsContact CG1-CG1 3.45Å; V206-A294 HydrophobicContact CB-CB 4.13Å; V206-A294 HydrophobicContact CG1-CB 3.76Å |
| 207 | W | 93.1 | Very high | 89.2 | Confident | 16 Ų | 16 | 72.4 Ų | 72.4 | 6% | 0.061 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 177.2 | -177 | -109.5 | 0 | 0 | 0 | 111.6 | P198 Q203 K204 I209 F210 E211 Y212 R291 A294 C295 F301 | P198-W207 HydrophobicContact CG-CB 3.89Å; P198-W207 HydrophobicContact CG-CG 3.98Å; Q203-W207 WeakPolarHBondContact O-CB 3.15Å; Q203-W207 PolarHBondContact O-N 3.11Å; K204-W207 PolarHBondContact O-N 2.97Å; W207-I209 VanDerWaalsContact C-N 3.28Å; W207-I209 PolarHBondContact O-N 3.1Å; W207-F210 PolarHBondContact O-N 3.14Å; W207-E211 HydrophobicContact CD2-CB 4.11Å; W207-E211 HydrophobicContact CD2-CG 4.49Å; W207-E211 HydrophobicContact CE3-CB 4.45Å; W207-E211 HydrophobicContact CH2-CB 4.5Å; W207-E211 HydrophobicContact CH2-CG 4.08Å; W207-E211 HydrophobicContact CZ2-CB 4.19Å; W207-E211 HydrophobicContact CZ2-CG 3.66Å; W207-E211 WeakPolarHBondContact O-CB 3.32Å; W207-E211 PolarHBondContact O-N 3.27Å; W207-Y212 AromaticContact NE1-CE2 3.81Å; W207-R291 HydrophobicContact CZ3-CB 4.22Å; W207-R291 WeakPolarHBondContact CZ3-O 3.42Å; W207-A294 HydrophobicContact CB-CB 4.19Å; W207-A294 HydrophobicContact CE3-CB 4.2Å; W207-C295 HydrophobicContact CE3-CB 3.91Å; W207-C295 HydrophobicContact CH2-CB 3.68Å; W207-C295 HydrophobicContact CZ2-CB 4.46Å; W207-C295 HydrophobicContact CZ3-CB 3.34Å; W207-F301 AromaticContact CH2-CD2 3.87Å; W207-F301 HydrophobicContact CH2-CD2 3.87Å; W207-F301 AromaticContact CH2-CE2 3.98Å; W207-F301 HydrophobicContact CH2-CE2 3.98Å; W207-F301 HydrophobicContact CZ3-CD2 4.1Å; W207-F301 AromaticContact CZ3-CE2 3.95Å; W207-F301 HydrophobicContact CZ3-CE2 3.95Å |
| 208 | L | 90.3 | Very high | 89.6 | Confident | 56 Ų | 56 | 72.6 Ų | 72.6 | 29% | 0.293 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59 | -39.9 | 177 | -73.8 | 171.7 | 0 | 0 | 0 | 112 | L197 K204 Q205 Y212 S215 | L197-L208 HydrophobicContact CD2-CD2 4.34Å; K204-L208 HydrophobicContact CG-CD1 4.15Å; K204-L208 WeakPolarHBondContact O-CB 2.96Å; K204-L208 VanDerWaalsContact O-CG 3.25Å; K204-L208 WeakPolarHBondContact O-CG 3.43Å; K204-L208 PolarHBondContact O-N 2.93Å; Q205-L208 PolarHBondContact O-N 3.16Å; L208-Y212 HydrophobicContact CD2-CD2 3.9Å; L208-Y212 HydrophobicContact CD2-CE2 4.41Å; L208-Y212 CarbonylContact O-C 3.54Å; L208-Y212 PolarHBondContact O-N 3.42Å; L208-S215 PolarHBondContact O-OG 3.3Å |
| 209 | I | 91.8 | Very high | 89.8 | Confident | 38 Ų | 38 | 72.3 Ų | 72.3 | 20% | 0.195 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.7 | -38.9 | -177.9 | -69.8 | 167.9 | 0 | 0 | 0 | 112.1 | Q205 V206 W207 A219 I222 | Q205-I209 HydrophobicContact CG-CD1 4.16Å; Q205-I209 VanDerWaalsContact O-CG1 3.29Å; Q205-I209 WeakPolarHBondContact O-CG1 3.12Å; Q205-I209 PolarHBondContact O-N 3.41Å; Q205-I209 VanDerWaalsContact O-N 3.14Å; V206-I209 PolarHBondContact O-N 3.45Å; W207-I209 VanDerWaalsContact C-N 3.28Å; W207-I209 PolarHBondContact O-N 3.1Å; I209-A219 HydrophobicContact CB-CB 4.47Å; I209-A219 HydrophobicContact CG2-CB 4.35Å; I209-A219 WeakPolarHBondContact O-CB 3.35Å; I209-I222 HydrophobicContact CG2-CD1 3.39Å |
| 210 | F | 91.7 | Very high | 90.1 | Very high | 26 Ų | 26 | 69.8 Ų | 69.8 | 11% | 0.114 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -93.5 | -28 | -174.9 | -84.9 | -95.5 | 0 | 0 | 0 | 114.4 | V206 W207 I222 F286 E287 V290 R291 | V206-F210 HydrophobicContact CG1-CD2 4.23Å; V206-F210 PolarHBondContact O-N 3.17Å; V206-F210 VanDerWaalsContact O-N 3.1Å; W207-F210 PolarHBondContact O-N 3.14Å; F210-I222 HydrophobicContact CD1-CG2 4.35Å; F210-I222 HydrophobicContact CE1-CG2 4.1Å; F210-I222 HydrophobicContact CE2-CD1 4.29Å; F210-I222 HydrophobicContact CZ-CD1 4.39Å; F210-I222 HydrophobicContact CZ-CG2 4.43Å; F210-F286 AromaticContact CE1-CE1 3.88Å; F210-F286 HydrophobicContact CE1-CE1 3.88Å; F210-F286 HydrophobicContact CE1-CZ 4.47Å; F210-F286 AromaticContact CZ-CE1 3.73Å; F210-F286 HydrophobicContact CZ-CE1 3.73Å; F210-F286 AromaticContact CZ-CZ 3.95Å; F210-F286 HydrophobicContact CZ-CZ 3.95Å; F210-E287 HydrophobicContact CE1-CG 4.34Å; F210-V290 HydrophobicContact CD1-CG1 4.24Å; F210-V290 HydrophobicContact CD2-CG1 3.69Å; F210-V290 HydrophobicContact CE1-CB 4.44Å; F210-V290 HydrophobicContact CE1-CG1 4.25Å; F210-V290 HydrophobicContact CE2-CG1 3.71Å; F210-V290 HydrophobicContact CG-CG1 3.96Å; F210-V290 HydrophobicContact CZ-CB 4.47Å; F210-V290 HydrophobicContact CZ-CG1 3.99Å; F210-R291 HydrophobicContact CB-CG 3.93Å; F210-R291 VanDerWaalsContact O-CZ 3.3Å; F210-R291 PolarHBondContact O-NE 2.79Å; F210-R291 PolarHBondContact O-NH2 3.19Å |
| 211 | E | 89.5 | Confident | 90.2 | Very high | 29 Ų | 29 | 66.9 Ų | 66.9 | 14% | 0.136 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -92.8 | -36.8 | -177.5 | -165.6 | 67 | -168.9 | 0 | 0 | 112.1 | W207 P213 R291 R361 | W207-E211 HydrophobicContact CD2-CB 4.11Å; W207-E211 HydrophobicContact CD2-CG 4.49Å; W207-E211 HydrophobicContact CE3-CB 4.45Å; W207-E211 HydrophobicContact CH2-CB 4.5Å; W207-E211 HydrophobicContact CH2-CG 4.08Å; W207-E211 HydrophobicContact CZ2-CB 4.19Å; W207-E211 HydrophobicContact CZ2-CG 3.66Å; W207-E211 WeakPolarHBondContact O-CB 3.32Å; W207-E211 PolarHBondContact O-N 3.27Å; E211-P213 WeakPolarHBondContact O-CD 3.14Å; E211-R291 IonicContact OE2-NE 2.93Å; E211-R361 IonicContact OE1-CZ 3.63Å; E211-R361 IonicContact OE1-NH1 3.67Å; E211-R361 PolarHBondContact OE1-NH1 2.9Å; E211-R361 IonicContact OE2-CZ 3.24Å; E211-R361 IonicContact OE2-NH1 3.64Å; E211-R361 PolarHBondContact OE2-NH1 3.35Å |
| 212 | Y | 87 | Confident | 90.4 | Very high | 59 Ų | 59 | 62.6 Ų | 62.6 | 23% | 0.231 | 33% | 0.326 | C | S | . | . | trans | -119.6 | 97.5 | -174 | -57.8 | -75.2 | 0 | 0 | 0 | 111.3 | K195 W207 L208 E214 S215 | K195-Y212 WeakPolarHBondContact CB-OH 3.35Å; K195-Y212 HydrophobicContact CD-CE1 3.85Å; K195-Y212 WeakPolarHBondContact CD-OH 3.45Å; W207-Y212 AromaticContact NE1-CE2 3.81Å; L208-Y212 HydrophobicContact CD2-CD2 3.9Å; L208-Y212 HydrophobicContact CD2-CE2 4.41Å; L208-Y212 CarbonylContact O-C 3.54Å; L208-Y212 PolarHBondContact O-N 3.42Å; Y212-E214 PolarHBondContact O-N 3.11Å; Y212-S215 VanDerWaalsContact O-CB 3.27Å; Y212-S215 WeakPolarHBondContact O-CB 3.41Å; Y212-S215 PolarHBondContact O-N 3.43Å; Y212-S215 PolarHBondContact O-OG 3.33Å | ||
| 213 | P | 86.2 | Confident | 90.5 | Very high | 32 Ų | 32 | 55.8 Ų | 55.8 | 21% | 0.208 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -55.5 | -34.3 | 179.3 | -28.5 | 36.4 | 0 | 0 | 0 | 114.1 | E211 S215 A219 R220 A223 | E211-P213 WeakPolarHBondContact O-CD 3.14Å; P213-S215 PolarHBondContact O-N 3.46Å; P213-A219 WeakPolarHBondContact O-CB 3.42Å; P213-R220 WeakPolarHBondContact O-CG 3.31Å; P213-R220 PolarHBondContact O-N 3.09Å; P213-A223 HydrophobicContact CB-CB 3.74Å; P213-A223 HydrophobicContact CG-CB 3.88Å |
| 214 | E | 81.4 | Confident | 90.7 | Very high | 129 Ų | 129 | 57.5 Ų | 57.5 | 60% | 0.603 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -78.8 | -1.8 | -178.5 | -56.3 | -52.5 | 150 | 0 | 0 | 114 | Y212 S216 R220 | Y212-E214 PolarHBondContact O-N 3.11Å; E214-S216 VanDerWaalsContact C-N 3.32Å; E214-S216 PolarHBondContact O-N 2.91Å; E214-R220 IonicContact OE2-CZ 3.18Å; E214-R220 IonicContact OE2-NE 3.26Å; E214-R220 PolarHBondContact OE2-NE 3.34Å; E214-R220 IonicContact OE2-NH2 3.18Å |
| 215 | S | 86.4 | Confident | 90.9 | Very high | 50 Ų | 50 | 57.5 Ų | 57.5 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -68.8 | -29.3 | -177.1 | 65.6 | 0 | 0 | 0 | 0 | 113.7 | L208 Y212 P213 A219 | L208-S215 PolarHBondContact O-OG 3.3Å; Y212-S215 VanDerWaalsContact O-CB 3.27Å; Y212-S215 WeakPolarHBondContact O-CB 3.41Å; Y212-S215 PolarHBondContact O-N 3.43Å; Y212-S215 PolarHBondContact O-OG 3.33Å; P213-S215 PolarHBondContact O-N 3.46Å; S215-A219 VanDerWaalsContact OG-CB 3.3Å; S215-A219 WeakPolarHBondContact OG-CB 3.46Å |
| 216 | S | 91.4 | Very high | 91.1 | Very high | 41 Ų | 41 | 51.7 Ų | 51.7 | 29% | 0.287 | 29% | 0.287 | S | S | . | . | trans | -168.5 | 160.2 | -177.8 | 61.8 | 0 | 0 | 0 | 0 | 112.8 | E214 A219 R220 | E214-S216 VanDerWaalsContact C-N 3.32Å; E214-S216 PolarHBondContact O-N 2.91Å; S216-A219 WeakPolarHBondContact O-CA 3.32Å; S216-A219 VanDerWaalsContact O-CB 3.29Å; S216-A219 WeakPolarHBondContact O-CB 3.29Å; S216-A219 PolarHBondContact O-N 3.24Å; S216-A219 WeakPolarHBondContact OG-CB 3.41Å; S216-A219 PolarHBondContact OG-N 3.13Å; S216-R220 WeakPolarHBondContact O-CG 3.48Å; S216-R220 PolarHBondContact O-N 3.23Å | ||
| 217 | S | 90.9 | Very high | 91.1 | Very high | 100 Ų | 100 | 52.5 Ų | 52.5 | 70% | 0.699 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -57 | -40.6 | 176 | -47.9 | 0 | 0 | 0 | 0 | 114.1 | A219 R220 G221 | S217-A219 VanDerWaalsContact C-N 3.34Å; S217-A219 PolarHBondContact O-N 3.26Å; S217-R220 PolarHBondContact O-N 2.84Å; S217-G221 PolarHBondContact O-N 3.45Å |
| 218 | P | 92.6 | Very high | 91.3 | Very high | 86 Ų | 86 | 56 Ų | 56 | 56% | 0.558 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.5 | -36.9 | 171.6 | -24.5 | 36.2 | 0 | 0 | 0 | 113.6 | G221 I222 | P218-G221 PolarHBondContact O-N 3.46Å; P218-I222 PolarHBondContact O-N 2.91Å |
| 219 | A | 91.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | I209 P213 S215 S216 S217 G221 I222 A223 | I209-A219 HydrophobicContact CB-CB 4.47Å; I209-A219 HydrophobicContact CG2-CB 4.35Å; I209-A219 WeakPolarHBondContact O-CB 3.35Å; P213-A219 WeakPolarHBondContact O-CB 3.42Å; S215-A219 VanDerWaalsContact OG-CB 3.3Å; S215-A219 WeakPolarHBondContact OG-CB 3.46Å; S216-A219 WeakPolarHBondContact O-CA 3.32Å; S216-A219 VanDerWaalsContact O-CB 3.29Å; S216-A219 WeakPolarHBondContact O-CB 3.29Å; S216-A219 PolarHBondContact O-N 3.24Å; S216-A219 WeakPolarHBondContact OG-CB 3.41Å; S216-A219 PolarHBondContact OG-N 3.13Å; S217-A219 VanDerWaalsContact C-N 3.34Å; S217-A219 PolarHBondContact O-N 3.26Å; A219-G221 VanDerWaalsContact C-N 3.31Å; A219-G221 PolarHBondContact O-N 3.44Å; A219-I222 PolarHBondContact O-N 2.96Å; A219-A223 WeakPolarHBondContact O-CB 3.27Å; A219-A223 PolarHBondContact O-N 3.23Å |
| 220 | R | 91.3 | Very high | 91.8 | Very high | 136 Ų | 136 | 52.6 Ų | 52.6 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.7 | -43.2 | 172.7 | -61.1 | 178.6 | 106.9 | -165.3 | -1.5 | 111.4 | P213 E214 S216 S217 A223 I224 | P213-R220 WeakPolarHBondContact O-CG 3.31Å; P213-R220 PolarHBondContact O-N 3.09Å; E214-R220 IonicContact OE2-CZ 3.18Å; E214-R220 IonicContact OE2-NE 3.26Å; E214-R220 PolarHBondContact OE2-NE 3.34Å; E214-R220 IonicContact OE2-NH2 3.18Å; S216-R220 WeakPolarHBondContact O-CG 3.48Å; S216-R220 PolarHBondContact O-N 3.23Å; S217-R220 PolarHBondContact O-N 2.84Å; R220-A223 PolarHBondContact O-N 2.95Å; R220-I224 VanDerWaalsContact O-CG1 3.29Å; R220-I224 WeakPolarHBondContact O-CG1 3.23Å; R220-I224 PolarHBondContact O-N 3.29Å |
| 221 | G | 93.6 | Very high | 92 | Very high | 33 Ų | 33 | 54.3 Ų | 54.3 | 34% | 0.34 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S217 P218 A219 A223 I224 V225 | S217-G221 PolarHBondContact O-N 3.45Å; P218-G221 PolarHBondContact O-N 3.46Å; A219-G221 VanDerWaalsContact C-N 3.31Å; A219-G221 PolarHBondContact O-N 3.44Å; G221-A223 VanDerWaalsContact C-N 3.34Å; G221-A223 PolarHBondContact O-N 2.86Å; G221-I224 PolarHBondContact O-N 2.89Å; G221-V225 WeakPolarHBondContact O-CG2 3.26Å; G221-V225 PolarHBondContact O-N 3.43Å |
| 222 | I | 93.6 | Very high | 92.2 | Very high | 42 Ų | 42 | 56.6 Ų | 56.6 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65 | -38.8 | 177.7 | -71.2 | 164.3 | 0 | 0 | 0 | 111.4 | I209 F210 P218 A219 V225 S226 | I209-I222 HydrophobicContact CG2-CD1 3.39Å; F210-I222 HydrophobicContact CD1-CG2 4.35Å; F210-I222 HydrophobicContact CE1-CG2 4.1Å; F210-I222 HydrophobicContact CE2-CD1 4.29Å; F210-I222 HydrophobicContact CZ-CD1 4.39Å; F210-I222 HydrophobicContact CZ-CG2 4.43Å; P218-I222 PolarHBondContact O-N 2.91Å; A219-I222 PolarHBondContact O-N 2.96Å; I222-V225 PolarHBondContact O-N 3.37Å; I222-S226 WeakPolarHBondContact O-CB 3.48Å; I222-S226 PolarHBondContact O-N 2.85Å; I222-S226 PolarHBondContact O-OG 3.36Å |
| 223 | A | 92.4 | Very high | 92.6 | Very high | 14 Ų | 14 | 53.9 Ų | 53.9 | 12% | 0.116 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P213 A219 R220 G221 V225 S226 V227 | P213-A223 HydrophobicContact CB-CB 3.74Å; P213-A223 HydrophobicContact CG-CB 3.88Å; A219-A223 WeakPolarHBondContact O-CB 3.27Å; A219-A223 PolarHBondContact O-N 3.23Å; R220-A223 PolarHBondContact O-N 2.95Å; G221-A223 VanDerWaalsContact C-N 3.34Å; G221-A223 PolarHBondContact O-N 2.86Å; A223-V225 PolarHBondContact O-N 2.87Å; A223-S226 PolarHBondContact O-N 3.36Å; A223-V227 WeakPolarHBondContact O-CG2 3.42Å; A223-V227 PolarHBondContact O-N 3.28Å |
| 224 | I | 94.1 | Very high | 93 | Very high | 104 Ų | 104 | 53.9 Ų | 53.9 | 53% | 0.533 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 176.2 | -68.5 | 164.1 | 0 | 0 | 0 | 110.9 | R220 G221 S226 V227 I228 | R220-I224 VanDerWaalsContact O-CG1 3.29Å; R220-I224 WeakPolarHBondContact O-CG1 3.23Å; R220-I224 PolarHBondContact O-N 3.29Å; G221-I224 PolarHBondContact O-N 2.89Å; I224-S226 VanDerWaalsContact C-N 3.27Å; I224-S226 PolarHBondContact O-N 3.02Å; I224-V227 PolarHBondContact O-N 3.16Å; I224-I228 HydrophobicContact CG2-CD1 3.92Å; I224-I228 WeakPolarHBondContact O-CG1 3.27Å; I224-I228 PolarHBondContact O-N 2.76Å |
| 225 | V | 95.7 | Very high | 93.6 | Very high | 62 Ų | 62 | 52.1 Ų | 52.1 | 38% | 0.376 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.3 | -43.3 | 176.5 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | G221 I222 A223 V227 I228 V229 W283 | G221-V225 WeakPolarHBondContact O-CG2 3.26Å; G221-V225 PolarHBondContact O-N 3.43Å; I222-V225 PolarHBondContact O-N 3.37Å; A223-V225 PolarHBondContact O-N 2.87Å; V225-V227 PolarHBondContact O-N 3.36Å; V225-I228 PolarHBondContact O-N 3.32Å; V225-V229 HydrophobicContact CG1-CG2 4.33Å; V225-V229 WeakPolarHBondContact O-CG2 3.46Å; V225-V229 PolarHBondContact O-N 3.12Å; V225-W283 HydrophobicContact CB-CZ2 4.21Å; V225-W283 HydrophobicContact CG1-CH2 3.77Å; V225-W283 HydrophobicContact CG1-CZ2 3.52Å; V225-W283 HydrophobicContact CG1-CZ3 4.46Å |
| 226 | S | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 179.7 | -57 | 0 | 0 | 0 | 0 | 111.9 | I222 A223 I224 I228 V229 I230 W283 E287 | I222-S226 WeakPolarHBondContact O-CB 3.48Å; I222-S226 PolarHBondContact O-N 2.85Å; I222-S226 PolarHBondContact O-OG 3.36Å; A223-S226 PolarHBondContact O-N 3.36Å; I224-S226 VanDerWaalsContact C-N 3.27Å; I224-S226 PolarHBondContact O-N 3.02Å; S226-I228 PolarHBondContact O-N 3.47Å; S226-V229 PolarHBondContact O-N 3.25Å; S226-I230 WeakPolarHBondContact O-CD1 3.46Å; S226-I230 WeakPolarHBondContact O-CG1 3.49Å; S226-I230 PolarHBondContact O-N 3.32Å; S226-W283 PolarHBondContact OG-NE1 2.95Å; S226-E287 PolarHBondContact OG-OE1 3.09Å |
| 227 | V | 95 | Very high | 93.7 | Very high | 48 Ų | 48 | 50.3 Ų | 50.3 | 29% | 0.291 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 173.8 | 172.3 | 0 | 0 | 0 | 0 | 111.9 | A223 I224 V225 I230 T231 L359 H362 | A223-V227 WeakPolarHBondContact O-CG2 3.42Å; A223-V227 PolarHBondContact O-N 3.28Å; I224-V227 PolarHBondContact O-N 3.16Å; V225-V227 PolarHBondContact O-N 3.36Å; V227-I230 PolarHBondContact O-N 3.17Å; V227-T231 WeakPolarHBondContact O-CB 3.39Å; V227-T231 PolarHBondContact O-N 2.89Å; V227-T231 PolarHBondContact O-OG1 3.33Å; V227-L359 HydrophobicContact CG1-CD2 4.24Å; V227-H362 HydrophobicContact CG2-CB 3.71Å |
| 228 | I | 96.1 | Very high | 93.7 | Very high | 89 Ų | 89 | 48.7 Ų | 48.7 | 46% | 0.456 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 176.5 | -69.3 | 167.6 | 0 | 0 | 0 | 110.5 | I224 V225 S226 I230 T231 I232 | I224-I228 HydrophobicContact CG2-CD1 3.92Å; I224-I228 WeakPolarHBondContact O-CG1 3.27Å; I224-I228 PolarHBondContact O-N 2.76Å; V225-I228 PolarHBondContact O-N 3.32Å; S226-I228 PolarHBondContact O-N 3.47Å; I228-I230 VanDerWaalsContact C-N 3.33Å; I228-I230 PolarHBondContact O-N 2.75Å; I228-T231 PolarHBondContact O-N 2.94Å; I228-I232 HydrophobicContact CG2-CD1 3.76Å; I228-I232 HydrophobicContact CG2-CG1 4.37Å; I228-I232 WeakPolarHBondContact O-CG1 3.39Å; I228-I232 PolarHBondContact O-N 2.89Å |
| 229 | V | 96.6 | Very high | 93.6 | Very high | 24 Ų | 24 | 47.7 Ų | 47.7 | 15% | 0.145 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.7 | -42 | 178.7 | 175.3 | 0 | 0 | 0 | 0 | 111 | V225 S226 T231 I232 S233 C280 W283 F284 | V225-V229 HydrophobicContact CG1-CG2 4.33Å; V225-V229 WeakPolarHBondContact O-CG2 3.46Å; V225-V229 PolarHBondContact O-N 3.12Å; S226-V229 PolarHBondContact O-N 3.25Å; V229-T231 VanDerWaalsContact C-N 3.35Å; V229-T231 PolarHBondContact O-N 3.28Å; V229-I232 PolarHBondContact O-N 2.87Å; V229-S233 WeakPolarHBondContact O-CB 3.42Å; V229-S233 PolarHBondContact O-N 3.14Å; V229-C280 HydrophobicContact CG1-CB 4.03Å; V229-W283 HydrophobicContact CB-CG 4.48Å; V229-W283 HydrophobicContact CG1-CB 4.09Å; V229-W283 HydrophobicContact CG1-CG 4.13Å; V229-W283 HydrophobicContact CG2-CG 4.17Å; V229-F284 HydrophobicContact CB-CE1 4.47Å; V229-F284 HydrophobicContact CG1-CD1 4.44Å; V229-F284 HydrophobicContact CG1-CE1 3.77Å; V229-F284 HydrophobicContact CG1-CZ 4.19Å |
| 230 | I | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59 | -48.1 | 174.4 | -66 | 161.3 | 0 | 0 | 0 | 110.6 | S226 V227 I228 S233 I234 F284 K358 L359 | S226-I230 WeakPolarHBondContact O-CD1 3.46Å; S226-I230 WeakPolarHBondContact O-CG1 3.49Å; S226-I230 PolarHBondContact O-N 3.32Å; V227-I230 PolarHBondContact O-N 3.17Å; I228-I230 VanDerWaalsContact C-N 3.33Å; I228-I230 PolarHBondContact O-N 2.75Å; I230-S233 WeakPolarHBondContact O-CB 3.37Å; I230-S233 PolarHBondContact O-N 3.28Å; I230-S233 PolarHBondContact O-OG 3.21Å; I230-I234 HydrophobicContact CG2-CD1 3.72Å; I230-I234 HydrophobicContact CG2-CG1 4.45Å; I230-I234 VanDerWaalsContact O-CG1 3.3Å; I230-I234 WeakPolarHBondContact O-CG1 3.19Å; I230-I234 PolarHBondContact O-N 3.24Å; I230-F284 HydrophobicContact CB-CZ 4.46Å; I230-F284 HydrophobicContact CG1-CE1 3.64Å; I230-F284 HydrophobicContact CG1-CZ 3.83Å; I230-K358 HydrophobicContact CD1-CB 3.95Å; I230-K358 HydrophobicContact CD1-CD 3.85Å; I230-K358 HydrophobicContact CD1-CG 3.69Å; I230-K358 HydrophobicContact CG1-CB 4.38Å; I230-K358 HydrophobicContact CG1-CD 3.94Å; I230-K358 HydrophobicContact CG1-CG 4.28Å; I230-L359 HydrophobicContact CB-CD2 4.06Å; I230-L359 HydrophobicContact CD1-CD2 4.1Å; I230-L359 HydrophobicContact CG2-CD1 4.44Å; I230-L359 HydrophobicContact CG2-CD2 3.64Å; I230-L359 HydrophobicContact CG2-CG 3.75Å |
| 231 | T | 95.2 | Very high | 93 | Very high | 61 Ų | 61 | 48.3 Ų | 48.3 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.6 | -47.6 | -179.3 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | V227 I228 V229 S233 I234 I235 | V227-T231 WeakPolarHBondContact O-CB 3.39Å; V227-T231 PolarHBondContact O-N 2.89Å; V227-T231 PolarHBondContact O-OG1 3.33Å; I228-T231 PolarHBondContact O-N 2.94Å; V229-T231 VanDerWaalsContact C-N 3.35Å; V229-T231 PolarHBondContact O-N 3.28Å; T231-S233 VanDerWaalsContact C-N 3.3Å; T231-S233 PolarHBondContact O-N 2.69Å; T231-I234 PolarHBondContact O-N 3.08Å; T231-I235 HydrophobicContact CG2-CD1 3.92Å; T231-I235 WeakPolarHBondContact O-CG1 3.26Å; T231-I235 PolarHBondContact O-N 2.95Å |
| 232 | I | 95.6 | Very high | 92.7 | Very high | 77 Ų | 77 | 49.9 Ų | 49.9 | 40% | 0.395 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.7 | -48.1 | 174.9 | -69.9 | 169.7 | 0 | 0 | 0 | 109.8 | I228 V229 I234 I235 T236 I276 | I228-I232 HydrophobicContact CG2-CD1 3.76Å; I228-I232 HydrophobicContact CG2-CG1 4.37Å; I228-I232 WeakPolarHBondContact O-CG1 3.39Å; I228-I232 PolarHBondContact O-N 2.89Å; V229-I232 PolarHBondContact O-N 2.87Å; I232-I234 VanDerWaalsContact C-N 3.3Å; I232-I234 PolarHBondContact O-N 3.2Å; I232-I235 PolarHBondContact O-N 2.91Å; I232-T236 WeakPolarHBondContact O-CB 3.49Å; I232-T236 PolarHBondContact O-N 3.47Å; I232-T236 PolarHBondContact O-OG1 3.01Å; I232-I276 HydrophobicContact CG2-CG2 3.85Å |
| 233 | S | 94.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.1 | -46.7 | -179.3 | 85.3 | 0 | 0 | 0 | 0 | 111.2 | V229 I230 T231 T236 F237 R355 | V229-S233 WeakPolarHBondContact O-CB 3.42Å; V229-S233 PolarHBondContact O-N 3.14Å; I230-S233 WeakPolarHBondContact O-CB 3.37Å; I230-S233 PolarHBondContact O-N 3.28Å; I230-S233 PolarHBondContact O-OG 3.21Å; T231-S233 VanDerWaalsContact C-N 3.3Å; T231-S233 PolarHBondContact O-N 2.69Å; S233-T236 PolarHBondContact O-N 3.34Å; S233-F237 PolarHBondContact O-N 3.29Å; S233-F237 VanDerWaalsContact O-N 3.15Å; S233-R355 VanDerWaalsContact CB-NH1 3.32Å; S233-R355 PolarHBondContact O-NH1 3.29Å; S233-R355 VanDerWaalsContact O-NH1 3.12Å; S233-R355 PolarHBondContact O-NH2 3.33Å; S233-R355 WeakPolarHBondContact OG-CD 3.14Å |
| 234 | I | 94.1 | Very high | 91.7 | Very high | 33 Ų | 33 | 56.1 Ų | 56.1 | 17% | 0.169 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.2 | -49.3 | 179.5 | -65.1 | 161.1 | 0 | 0 | 0 | 110.6 | I230 T231 I232 T236 F237 C238 R355 I356 L359 | I230-I234 HydrophobicContact CG2-CD1 3.72Å; I230-I234 HydrophobicContact CG2-CG1 4.45Å; I230-I234 VanDerWaalsContact O-CG1 3.3Å; I230-I234 WeakPolarHBondContact O-CG1 3.19Å; I230-I234 PolarHBondContact O-N 3.24Å; T231-I234 PolarHBondContact O-N 3.08Å; I232-I234 VanDerWaalsContact C-N 3.3Å; I232-I234 PolarHBondContact O-N 3.2Å; I234-T236 VanDerWaalsContact C-N 3.33Å; I234-T236 PolarHBondContact O-N 2.87Å; I234-F237 PolarHBondContact O-N 3.24Å; I234-C238 PolarHBondContact O-N 2.89Å; I234-C238 PolarHBondContact O-SG 2.81Å; I234-C238 VanDerWaalsContact O-SG 3.39Å; I234-R355 HydrophobicContact CG1-CG 4.41Å; I234-I356 HydrophobicContact CD1-CB 4.34Å; I234-I356 HydrophobicContact CD1-CG1 3.76Å; I234-I356 HydrophobicContact CG1-CG1 3.84Å; I234-I356 HydrophobicContact CG2-CG1 4.38Å; I234-L359 HydrophobicContact CD1-CD1 4.4Å |
| 235 | I | 94.1 | Very high | 90.8 | Very high | 91 Ų | 91 | 55.2 Ų | 55.2 | 47% | 0.467 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.5 | -47.8 | 178.2 | -68.3 | 168.7 | 0 | 0 | 0 | 110.3 | T231 I232 F237 C238 L239 | T231-I235 HydrophobicContact CG2-CD1 3.92Å; T231-I235 WeakPolarHBondContact O-CG1 3.26Å; T231-I235 PolarHBondContact O-N 2.95Å; I232-I235 PolarHBondContact O-N 2.91Å; I235-F237 VanDerWaalsContact C-N 3.28Å; I235-F237 PolarHBondContact O-N 3.2Å; I235-C238 WeakPolarHBondContact O-CB 3.34Å; I235-C238 PolarHBondContact O-N 3.41Å; I235-C238 VanDerWaalsContact O-N 3.11Å; I235-L239 HydrophobicContact CG2-CD1 3.85Å; I235-L239 HydrophobicContact CG2-CG 4.18Å; I235-L239 WeakPolarHBondContact O-CG 3.24Å; I235-L239 PolarHBondContact O-N 3.22Å |
| 236 | T | 91.3 | Very high | 89.6 | Confident | 14 Ų | 14 | 59.5 Ų | 59.5 | 9% | 0.086 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.2 | -39.4 | 179 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | I232 S233 I234 L239 E240 F273 I276 | I232-T236 WeakPolarHBondContact O-CB 3.49Å; I232-T236 PolarHBondContact O-N 3.47Å; I232-T236 PolarHBondContact O-OG1 3.01Å; S233-T236 PolarHBondContact O-N 3.34Å; I234-T236 VanDerWaalsContact C-N 3.33Å; I234-T236 PolarHBondContact O-N 2.87Å; T236-L239 PolarHBondContact O-N 2.85Å; T236-E240 WeakPolarHBondContact O-CB 3.27Å; T236-E240 PolarHBondContact O-N 3.39Å; T236-F273 HydrophobicContact CG2-CD1 3.68Å; T236-F273 HydrophobicContact CG2-CE1 4.42Å; T236-I276 HydrophobicContact CG2-CB 4.29Å; T236-I276 HydrophobicContact CG2-CG2 4.05Å; T236-I276 WeakPolarHBondContact OG1-CG2 3.47Å |
| 237 | F | 89.9 | Confident | 87.8 | Confident | 39 Ų | 39 | 63.5 Ų | 63.5 | 17% | 0.171 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.6 | -39.6 | 175.6 | 165.8 | -94.9 | 0 | 0 | 0 | 113.3 | S233 I234 I235 L239 E240 T241 R349 R352 V353 | S233-F237 PolarHBondContact O-N 3.29Å; S233-F237 VanDerWaalsContact O-N 3.15Å; I234-F237 PolarHBondContact O-N 3.24Å; I235-F237 VanDerWaalsContact C-N 3.28Å; I235-F237 PolarHBondContact O-N 3.2Å; F237-L239 VanDerWaalsContact C-N 3.29Å; F237-L239 PolarHBondContact O-N 3.48Å; F237-E240 PolarHBondContact O-N 3.43Å; F237-T241 WeakPolarHBondContact O-CG2 3.45Å; F237-T241 PolarHBondContact O-N 3.41Å; F237-R349 WeakPolarHBondContact CE2-O 3.2Å; F237-R352 HydrophobicContact CD2-CB 4.16Å; F237-R352 HydrophobicContact CE2-CB 4.15Å; F237-V353 HydrophobicContact CE1-CG2 3.56Å; F237-V353 HydrophobicContact CE2-CG2 4.39Å; F237-V353 HydrophobicContact CZ-CG2 3.41Å; F237-V353 VanDerWaalsContact CZ-CG2 3.41Å |
| 238 | C | 90.9 | Very high | 86.2 | Confident | 66 Ų | 66 | 67.7 Ų | 67.7 | 45% | 0.446 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 173.5 | -64 | 0 | 0 | 0 | 0 | 110.4 | I234 I235 E240 T241 | I234-C238 PolarHBondContact O-N 2.89Å; I234-C238 PolarHBondContact O-SG 2.81Å; I234-C238 VanDerWaalsContact O-SG 3.39Å; I235-C238 WeakPolarHBondContact O-CB 3.34Å; I235-C238 PolarHBondContact O-N 3.41Å; I235-C238 VanDerWaalsContact O-N 3.11Å; C238-E240 PolarHBondContact O-N 2.86Å; C238-T241 PolarHBondContact O-N 3.38Å; C238-T241 PolarHBondContact O-OG1 3.4Å |
| 239 | L | 90.3 | Very high | 84.4 | Confident | 65 Ų | 65 | 69.8 Ų | 69.8 | 34% | 0.34 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.3 | -37.9 | 177.8 | -66.7 | 177 | 0 | 0 | 0 | 112.5 | I235 T236 F237 T241 L242 F245 F273 | I235-L239 HydrophobicContact CG2-CD1 3.85Å; I235-L239 HydrophobicContact CG2-CG 4.18Å; I235-L239 WeakPolarHBondContact O-CG 3.24Å; I235-L239 PolarHBondContact O-N 3.22Å; T236-L239 PolarHBondContact O-N 2.85Å; F237-L239 VanDerWaalsContact C-N 3.29Å; F237-L239 PolarHBondContact O-N 3.48Å; L239-T241 PolarHBondContact O-N 2.99Å; L239-T241 VanDerWaalsContact O-N 3.15Å; L239-L242 HydrophobicContact CD2-CD1 3.74Å; L239-L242 WeakPolarHBondContact O-CB 3.43Å; L239-L242 PolarHBondContact O-N 3.35Å; L239-L242 VanDerWaalsContact O-N 3.08Å; L239-F245 HydrophobicContact CD2-CE2 4.42Å; L239-F245 WeakPolarHBondContact O-CD2 3.46Å; L239-F273 HydrophobicContact CB-CE1 3.82Å; L239-F273 HydrophobicContact CB-CZ 4.35Å |
| 240 | E | 85.2 | Confident | 82.4 | Confident | 50 Ų | 50 | 73.5 Ų | 73.5 | 23% | 0.234 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.1 | -22.4 | 176.6 | -164.5 | -173.6 | 171.5 | 0 | 0 | 112.6 | T236 F237 C238 F273 R352 | T236-E240 WeakPolarHBondContact O-CB 3.27Å; T236-E240 PolarHBondContact O-N 3.39Å; F237-E240 PolarHBondContact O-N 3.43Å; C238-E240 PolarHBondContact O-N 2.86Å; E240-F273 HydrophobicContact CB-CD1 4.44Å; E240-R352 IonicContact OE1-NH1 3.64Å; E240-R352 IonicContact OE2-NH1 3.25Å; E240-R352 PolarHBondContact OE2-NH1 3.12Å |
| 241 | T | 85 | Confident | 80.4 | Confident | 101 Ų | 101 | 78.6 Ų | 78.6 | 62% | 0.62 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -9.9 | 177.9 | 66.2 | 0 | 0 | 0 | 0 | 114.5 | F237 C238 L239 | F237-T241 WeakPolarHBondContact O-CG2 3.45Å; F237-T241 PolarHBondContact O-N 3.41Å; C238-T241 PolarHBondContact O-N 3.38Å; C238-T241 PolarHBondContact O-OG1 3.4Å; L239-T241 PolarHBondContact O-N 2.99Å; L239-T241 VanDerWaalsContact O-N 3.15Å |
| 242 | L | 86.3 | Confident | 78.3 | Confident | 66 Ų | 66 | 78 Ų | 78 | 35% | 0.346 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -72.5 | 139 | -178.6 | -67.6 | 174.8 | 0 | 0 | 0 | 111.5 | L239 E244 F245 R246 | L239-L242 HydrophobicContact CD2-CD1 3.74Å; L239-L242 WeakPolarHBondContact O-CB 3.43Å; L239-L242 PolarHBondContact O-N 3.35Å; L239-L242 VanDerWaalsContact O-N 3.08Å; L242-E244 VanDerWaalsContact C-N 3.28Å; L242-E244 PolarHBondContact O-N 3.43Å; L242-F245 HydrophobicContact CB-CD2 4.02Å; L242-F245 HydrophobicContact CD1-CD2 4.15Å; L242-F245 HydrophobicContact CD1-CE2 3.98Å; L242-F245 PolarHBondContact O-N 2.72Å; L242-R246 PolarHBondContact O-N 3.5Å |
| 243 | P | 83.2 | Confident | 76.3 | Confident | 68 Ų | 68 | 78.1 Ų | 78.1 | 44% | 0.442 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.3 | -34.8 | -177.7 | 25 | -32.7 | 0 | 0 | 0 | 112.3 | F245 R246 D247 | P243-F245 VanDerWaalsContact C-N 3.34Å; P243-F245 PolarHBondContact O-N 3.45Å; P243-R246 PolarHBondContact O-N 3.33Å; P243-R246 VanDerWaalsContact O-N 3.12Å; P243-D247 WeakPolarHBondContact O-CB 3.46Å; P243-D247 VanDerWaalsContact O-CG 3.22Å; P243-D247 PolarHBondContact O-N 2.97Å |
| 244 | E | 81.8 | Confident | 74.2 | Confident | 118 Ų | 118 | 82.3 Ų | 82.3 | 55% | 0.551 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -59 | -43.5 | -178.6 | -62.4 | 80.4 | -176 | 0 | 0 | 112.1 | L242 E248 | L242-E244 VanDerWaalsContact C-N 3.28Å; L242-E244 PolarHBondContact O-N 3.43Å; E244-E248 WeakPolarHBondContact O-CG 3.42Å; E244-E248 PolarHBondContact O-N 2.9Å |
| 245 | F | 75.9 | Confident | 72 | Confident | 86 Ų | 86 | 85.3 Ų | 85.3 | 38% | 0.377 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -79.6 | -23.3 | 178.7 | -63.4 | -62.9 | 0 | 0 | 0 | 112.9 | L239 L242 P243 F273 | L239-F245 HydrophobicContact CD2-CE2 4.42Å; L239-F245 WeakPolarHBondContact O-CD2 3.46Å; L242-F245 HydrophobicContact CB-CD2 4.02Å; L242-F245 HydrophobicContact CD1-CD2 4.15Å; L242-F245 HydrophobicContact CD1-CE2 3.98Å; L242-F245 PolarHBondContact O-N 2.72Å; P243-F245 VanDerWaalsContact C-N 3.34Å; P243-F245 PolarHBondContact O-N 3.45Å; F245-F273 HydrophobicContact CB-CE2 4.1Å; F245-F273 HydrophobicContact CB-CZ 4.19Å; F245-F273 HydrophobicContact CD1-CE2 4.1Å; F245-F273 HydrophobicContact CD1-CZ 4.06Å; F245-F273 HydrophobicContact CD2-CZ 4.11Å; F245-F273 HydrophobicContact CE1-CZ 4.49Å; F245-F273 HydrophobicContact CG-CE2 4.09Å; F245-F273 AromaticContact CG-CZ 3.85Å; F245-F273 HydrophobicContact CG-CZ 3.85Å |
| 246 | R | 69.8 | Low | 69.9 | Low | 151 Ų | 151 | 88.3 Ų | 88.3 | 57% | 0.57 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -76.1 | -43.2 | 175.4 | -176.2 | 178.8 | 170.8 | 179.4 | -6.9 | 111.7 | L242 P243 R249 E250 | L242-R246 PolarHBondContact O-N 3.5Å; P243-R246 PolarHBondContact O-N 3.33Å; P243-R246 VanDerWaalsContact O-N 3.12Å; R246-R249 WeakPolarHBondContact O-CB 3.33Å; R246-R249 PolarHBondContact O-N 3.44Å; R246-E250 IonicContact CZ-OE1 3.83Å; R246-E250 IonicContact NE-OE1 2.69Å; R246-E250 PolarHBondContact NE-OE1 2.86Å; R246-E250 IonicContact NH2-OE1 2.73Å; R246-E250 PolarHBondContact NH2-OE1 3.3Å; R246-E250 PolarHBondContact O-N 2.65Å; R246-E250 VanDerWaalsContact O-N 3.12Å |
| 247 | D | 57.9 | Low | 68.1 | Low | 84 Ų | 84 | 94.6 Ų | 94.6 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.3 | -38 | -176.3 | -68.6 | -14.7 | 0 | 0 | 0 | 111.3 | P243 R249 E250 L251 | P243-D247 WeakPolarHBondContact O-CB 3.46Å; P243-D247 VanDerWaalsContact O-CG 3.22Å; P243-D247 PolarHBondContact O-N 2.97Å; D247-R249 PolarHBondContact O-N 2.69Å; D247-E250 PolarHBondContact O-N 3.02Å; D247-L251 VanDerWaalsContact O-CB 3.27Å; D247-L251 WeakPolarHBondContact O-CB 3.45Å; D247-L251 WeakPolarHBondContact O-CD1 3.43Å; D247-L251 WeakPolarHBondContact O-CG 3.29Å; D247-L251 PolarHBondContact O-N 3.43Å |
| 248 | E | 59.8 | Low | 66 | Low | 137 Ų | 137 | 99.6 Ų | 99.6 | 64% | 0.64 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.7 | -35.1 | 172 | -77.1 | -174.5 | 173 | 0 | 0 | 112.5 | E244 A252 | E244-E248 WeakPolarHBondContact O-CG 3.42Å; E244-E248 PolarHBondContact O-N 2.9Å; E248-A252 VanDerWaalsContact O-CB 3.3Å; E248-A252 WeakPolarHBondContact O-CB 3.15Å; E248-A252 PolarHBondContact O-N 2.73Å |
| 249 | R | 58.8 | Low | 64.1 | Low | 132 Ų | 132 | 103.3 Ų | 103.3 | 50% | 0.498 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -73.3 | -39.8 | 177.7 | -166.1 | 177.8 | -178.3 | -178.6 | 4.8 | 112.1 | R246 D247 V253 | R246-R249 WeakPolarHBondContact O-CB 3.33Å; R246-R249 PolarHBondContact O-N 3.44Å; D247-R249 PolarHBondContact O-N 2.69Å; R249-V253 VanDerWaalsContact O-CG2 3.32Å; R249-V253 WeakPolarHBondContact O-CG2 3.46Å; R249-V253 PolarHBondContact O-N 3.44Å |
| 250 | E | 55.1 | Low | 61.8 | Low | 103 Ų | 103 | 105.2 Ų | 105.2 | 48% | 0.481 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -72.2 | -36.1 | 176.1 | -70.6 | -174.8 | -167.5 | 0 | 0 | 111.8 | R246 D247 V253 T254 | R246-E250 IonicContact CZ-OE1 3.83Å; R246-E250 IonicContact NE-OE1 2.69Å; R246-E250 PolarHBondContact NE-OE1 2.86Å; R246-E250 IonicContact NH2-OE1 2.73Å; R246-E250 PolarHBondContact NH2-OE1 3.3Å; R246-E250 PolarHBondContact O-N 2.65Å; R246-E250 VanDerWaalsContact O-N 3.12Å; D247-E250 PolarHBondContact O-N 3.02Å; E250-V253 PolarHBondContact O-N 2.95Å; E250-T254 PolarHBondContact O-N 3.04Å; E250-T254 PolarHBondContact O-OG1 3.36Å |
| 251 | L | 53.4 | Low | 60 | Low | 106 Ų | 106 | 110.4 Ų | 110.4 | 56% | 0.555 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.2 | -41.7 | 173.8 | -82.1 | 156.5 | 0 | 0 | 0 | 112.6 | D247 V253 T254 S255 | D247-L251 VanDerWaalsContact O-CB 3.27Å; D247-L251 WeakPolarHBondContact O-CB 3.45Å; D247-L251 WeakPolarHBondContact O-CD1 3.43Å; D247-L251 WeakPolarHBondContact O-CG 3.29Å; D247-L251 PolarHBondContact O-N 3.43Å; L251-V253 PolarHBondContact O-N 3.29Å; L251-T254 VanDerWaalsContact CA-OG1 3.31Å; L251-T254 WeakPolarHBondContact CA-OG1 3.24Å; L251-T254 PolarHBondContact O-N 3.46Å; L251-T254 PolarHBondContact O-OG1 3.29Å; L251-T254 VanDerWaalsContact O-OG1 3.11Å; L251-S255 PolarHBondContact O-N 2.99Å |
| 252 | A | 52.4 | Low | 57.9 | Low | 49 Ų | 49 | 109.2 Ų | 109.2 | 41% | 0.405 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.8 | -27.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E248 R256 | E248-A252 VanDerWaalsContact O-CB 3.3Å; E248-A252 WeakPolarHBondContact O-CB 3.15Å; E248-A252 PolarHBondContact O-N 2.73Å; A252-R256 WeakPolarHBondContact O-CG 3.47Å |
| 253 | V | 51.8 | Low | 55.8 | Low | 80 Ų | 80 | 111.7 Ų | 111.7 | 49% | 0.485 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -80.8 | -40.1 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | R249 E250 L251 R256 | R249-V253 VanDerWaalsContact O-CG2 3.32Å; R249-V253 WeakPolarHBondContact O-CG2 3.46Å; R249-V253 PolarHBondContact O-N 3.44Å; E250-V253 PolarHBondContact O-N 2.95Å; L251-V253 PolarHBondContact O-N 3.29Å; V253-R256 PolarHBondContact O-N 3.37Å |
| 254 | T | 50.8 | Low | 54 | Low | 89 Ų | 89 | 120 Ų | 120 | 55% | 0.546 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -73 | -39.1 | -178.7 | 42.9 | 0 | 0 | 0 | 0 | 113.2 | E250 L251 R256 L257 | E250-T254 PolarHBondContact O-N 3.04Å; E250-T254 PolarHBondContact O-OG1 3.36Å; L251-T254 VanDerWaalsContact CA-OG1 3.31Å; L251-T254 WeakPolarHBondContact CA-OG1 3.24Å; L251-T254 PolarHBondContact O-N 3.46Å; L251-T254 PolarHBondContact O-OG1 3.29Å; L251-T254 VanDerWaalsContact O-OG1 3.11Å; T254-R256 PolarHBondContact O-N 3.48Å; T254-R256 VanDerWaalsContact O-N 3.11Å; T254-L257 PolarHBondContact O-N 3.03Å |
| 255 | S | 48.9 | Very low | 52.1 | Low | 97 Ų | 97 | 118.1 Ų | 118.1 | 68% | 0.678 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -12 | 175.1 | -80.5 | 0 | 0 | 0 | 0 | 114.9 | L251 | L251-S255 PolarHBondContact O-N 2.99Š|
| 256 | R | 49.3 | Very low | 50.8 | Low | 153 Ų | 153 | 117.6 Ų | 117.6 | 58% | 0.577 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -6.3 | -179.9 | -68.1 | -175.1 | -176.8 | -176.7 | 3.7 | 114.2 | A252 V253 T254 D258 | A252-R256 WeakPolarHBondContact O-CG 3.47Å; V253-R256 PolarHBondContact O-N 3.37Å; T254-R256 PolarHBondContact O-N 3.48Å; T254-R256 VanDerWaalsContact O-N 3.11Å; R256-D258 VanDerWaalsContact C-N 3.29Å |
| 257 | L | 52.7 | Low | 49.7 | Very low | 146 Ų | 146 | 114.2 Ų | 114.2 | 76% | 0.764 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -19.3 | 177 | -119.5 | 81 | 0 | 0 | 0 | 113.1 | T254 | T254-L257 PolarHBondContact O-N 3.03Š|
| 258 | D | 47.8 | Very low | 49.7 | Very low | 145 Ų | 145 | 111.5 Ų | 111.5 | 78% | 0.775 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -0.6 | -172.8 | -85 | -16.3 | 0 | 0 | 0 | 115.3 | R256 | R256-D258 VanDerWaalsContact C-N 3.29Š|
| 259 | N | 49.1 | Very low | 49.5 | Very low | 144 Ų | 144 | 112.3 Ų | 112.3 | 77% | 0.77 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -153.9 | 111.9 | 170.5 | -100.2 | -29.6 | 0 | 0 | 0 | 114.3 | ||
| 260 | S | 43.3 | Very low | 49.7 | Very low | 105 Ų | 105 | 111 Ų | 111 | 73% | 0.734 | 62% | 0.619 | S | S | * | * | trans | 80.2 | 139.6 | 158.3 | -54 | 0 | 0 | 0 | 0 | 119.2 | A262 | S260-A262 PolarHBondContact O-N 3.4Š| ||
| 261 | T | 47.8 | Very low | 50.9 | Low | 158 Ų | 158 | 107.6 Ų | 107.6 | 97% | 0.969 | 60% | 0.603 | S | S | * | * | trans | -59.8 | 62.7 | 174.9 | -17.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 262 | A | 40.8 | Very low | 52.4 | Low | 76 Ų | 76 | 106.5 Ų | 106.5 | 63% | 0.628 | 60% | 0.603 | S | S | * | * | trans | -90.1 | 139.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | S260 R264 | S260-A262 PolarHBondContact O-N 3.4Å; A262-R264 PolarHBondContact O-N 3.06Å | ||
| 263 | P | 42.3 | Very low | 54.1 | Low | 118 Ų | 118 | 106.2 Ų | 106.2 | 77% | 0.766 | 59% | 0.592 | S | S | * | * | trans | -59.4 | 132.3 | 174.3 | 26 | -30.9 | 0 | 0 | 0 | 108.2 | P265 | P263-P265 WeakPolarHBondContact O-CD 3.29Š| ||
| 264 | R | 44.3 | Very low | 55.7 | Low | 244 Ų | 244 | 103.8 Ų | 103.8 | 92% | 0.921 | 58% | 0.576 | S | S | * | * | trans | -47 | 108.5 | 173.5 | -73.8 | 177.9 | 175.8 | 159 | -1.7 | 107.8 | A262 S266 | A262-R264 PolarHBondContact O-N 3.06Å; R264-S266 PolarHBondContact O-N 3.44Å | ||
| 265 | P | 42.2 | Very low | 57.5 | Low | 78 Ų | 78 | 103.6 Ų | 103.6 | 51% | 0.506 | 57% | 0.57 | S | S | . | * | trans | -68 | 129 | 173.3 | 17.6 | -11.3 | 0 | 0 | 0 | 106 | P263 L267 | P263-P265 WeakPolarHBondContact O-CD 3.29Å; P265-L267 PolarHBondContact O-N 2.94Å | ||
| 266 | S | 48.1 | Very low | 59.5 | Low | 75 Ų | 75 | 102 Ų | 102 | 52% | 0.524 | 55% | 0.554 | S | S | . | * | trans | -58.9 | 82.8 | 165.7 | 40.8 | 0 | 0 | 0 | 0 | 108.6 | R264 T268 | R264-S266 PolarHBondContact O-N 3.44Å; S266-T268 PolarHBondContact O-N 3.32Å | ||
| 267 | L | 47.5 | Very low | 61.5 | Low | 79 Ų | 79 | 95.7 Ų | 95.7 | 41% | 0.414 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -63.5 | 1 | -179.7 | -77.9 | 162.4 | 0 | 0 | 0 | 113 | P265 D271 | P265-L267 PolarHBondContact O-N 2.94Å; L267-D271 PolarHBondContact O-N 3.31Å |
| 268 | T | 57.1 | Low | 63.4 | Low | 28 Ų | 28 | 90 Ų | 90 | 17% | 0.172 | 50% | 0.502 | C | S | . | . | G | 310 helix | trans | -60.8 | -45.5 | 178.9 | 4.9 | 0 | 0 | 0 | 0 | 111.5 | S266 T270 D271 F274 | S266-T268 PolarHBondContact O-N 3.32Å; T268-T270 VanDerWaalsContact C-N 3.31Å; T268-T270 PolarHBondContact O-N 2.94Å; T268-D271 PolarHBondContact O-N 3.42Å; T268-F274 HydrophobicContact CG2-CD1 4.39Å; T268-F274 HydrophobicContact CG2-CD2 3.7Å; T268-F274 HydrophobicContact CG2-CE1 4.36Å; T268-F274 HydrophobicContact CG2-CE2 3.68Å; T268-F274 HydrophobicContact CG2-CG 4.05Å; T268-F274 HydrophobicContact CG2-CZ 4.01Å; T268-F274 VanDerWaalsContact O-CB 3.28Å; T268-F274 WeakPolarHBondContact O-CB 3.33Å; T268-F274 WeakPolarHBondContact O-CD1 3.47Å; T268-F274 VanDerWaalsContact O-CG 3.23Å; T268-F274 WeakPolarHBondContact O-CG 3.43Å |
| 269 | F | 56 | Low | 65.6 | Low | 154 Ų | 154 | 87.3 Ų | 87.3 | 68% | 0.675 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -76.9 | -8.8 | -173.9 | -65.4 | -73.7 | 0 | 0 | 0 | 115.8 | F274 | F269-F274 HydrophobicContact CD1-CE1 4.08Å; F269-F274 HydrophobicContact CE1-CE1 4.2Å |
| 270 | T | 62.2 | Low | 67.8 | Low | 105 Ų | 105 | 80.9 Ų | 80.9 | 64% | 0.644 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -109.4 | -9.1 | 178.5 | 30.2 | 0 | 0 | 0 | 0 | 113.5 | T268 P272 | T268-T270 VanDerWaalsContact C-N 3.31Å; T268-T270 PolarHBondContact O-N 2.94Å; T270-P272 WeakPolarHBondContact O-CD 3.39Å |
| 271 | D | 80.3 | Confident | 70.3 | Confident | 30 Ų | 30 | 76.2 Ų | 76.2 | 16% | 0.16 | 42% | 0.424 | C | S | . | . | trans | -72.1 | 117.9 | 174.9 | -179.2 | 3.6 | 0 | 0 | 0 | 110.1 | L267 T268 F273 F274 I275 | L267-D271 PolarHBondContact O-N 3.31Å; T268-D271 PolarHBondContact O-N 3.42Å; D271-F273 PolarHBondContact O-N 3.45Å; D271-F273 PolarHBondContact OD1-N 2.87Å; D271-F273 VanDerWaalsContact OD1-N 3.1Å; D271-F274 HydrophobicContact CB-CB 4.01Å; D271-F274 PolarHBondContact O-N 2.93Å; D271-F274 VanDerWaalsContact O-N 3.12Å; D271-I275 WeakPolarHBondContact O-CG1 3.37Å; D271-I275 PolarHBondContact O-N 2.87Å | ||
| 272 | P | 86 | Confident | 72.6 | Confident | 83 Ų | 83 | 73.9 Ų | 73.9 | 54% | 0.539 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -55.1 | -35 | 178.4 | -25.5 | 35.2 | 0 | 0 | 0 | 113.2 | T270 I275 I276 | T270-P272 WeakPolarHBondContact O-CD 3.39Å; P272-I275 PolarHBondContact O-N 3.48Å; P272-I276 VanDerWaalsContact O-CG1 3.27Å; P272-I276 WeakPolarHBondContact O-CG1 3.49Å; P272-I276 PolarHBondContact O-N 2.9Å |
| 273 | F | 86.9 | Confident | 75.3 | Confident | 43 Ų | 43 | 73.4 Ų | 73.4 | 19% | 0.189 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 178.5 | -69.8 | -77.1 | 0 | 0 | 0 | 111.6 | T236 L239 E240 F245 D271 I276 E277 | T236-F273 HydrophobicContact CG2-CD1 3.68Å; T236-F273 HydrophobicContact CG2-CE1 4.42Å; L239-F273 HydrophobicContact CB-CE1 3.82Å; L239-F273 HydrophobicContact CB-CZ 4.35Å; E240-F273 HydrophobicContact CB-CD1 4.44Å; F245-F273 HydrophobicContact CB-CE2 4.1Å; F245-F273 HydrophobicContact CB-CZ 4.19Å; F245-F273 HydrophobicContact CD1-CE2 4.1Å; F245-F273 HydrophobicContact CD1-CZ 4.06Å; F245-F273 HydrophobicContact CD2-CZ 4.11Å; F245-F273 HydrophobicContact CE1-CZ 4.49Å; F245-F273 HydrophobicContact CG-CE2 4.09Å; F245-F273 AromaticContact CG-CZ 3.85Å; F245-F273 HydrophobicContact CG-CZ 3.85Å; D271-F273 PolarHBondContact O-N 3.45Å; D271-F273 PolarHBondContact OD1-N 2.87Å; D271-F273 VanDerWaalsContact OD1-N 3.1Å; F273-I276 PolarHBondContact O-N 2.86Å; F273-E277 WeakPolarHBondContact O-CB 3.21Å; F273-E277 PolarHBondContact O-N 3.29Å |
| 274 | F | 85.4 | Confident | 77.9 | Confident | 30 Ų | 30 | 68 Ų | 68 | 13% | 0.132 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 176.4 | -178.4 | -97.2 | 0 | 0 | 0 | 112.3 | T268 F269 D271 T278 Y317 | T268-F274 HydrophobicContact CG2-CD1 4.39Å; T268-F274 HydrophobicContact CG2-CD2 3.7Å; T268-F274 HydrophobicContact CG2-CE1 4.36Å; T268-F274 HydrophobicContact CG2-CE2 3.68Å; T268-F274 HydrophobicContact CG2-CG 4.05Å; T268-F274 HydrophobicContact CG2-CZ 4.01Å; T268-F274 VanDerWaalsContact O-CB 3.28Å; T268-F274 WeakPolarHBondContact O-CB 3.33Å; T268-F274 WeakPolarHBondContact O-CD1 3.47Å; T268-F274 VanDerWaalsContact O-CG 3.23Å; T268-F274 WeakPolarHBondContact O-CG 3.43Å; F269-F274 HydrophobicContact CD1-CE1 4.08Å; F269-F274 HydrophobicContact CE1-CE1 4.2Å; D271-F274 HydrophobicContact CB-CB 4.01Å; D271-F274 PolarHBondContact O-N 2.93Å; D271-F274 VanDerWaalsContact O-N 3.12Å; F274-T278 WeakPolarHBondContact CE1-OG1 3.27Å; F274-T278 WeakPolarHBondContact O-CB 3.24Å; F274-T278 PolarHBondContact O-N 3.35Å; F274-T278 PolarHBondContact O-OG1 2.96Å; F274-Y317 AromaticContact CE2-CE2 3.97Å; F274-Y317 HydrophobicContact CE2-CE2 3.97Å; F274-Y317 HydrophobicContact CZ-CE2 4.29Å |
| 275 | I | 89 | Confident | 80.4 | Confident | 84 Ų | 84 | 57.7 Ų | 57.7 | 43% | 0.431 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.3 | -50.6 | 176.6 | -65.4 | 168.5 | 0 | 0 | 0 | 110.1 | D271 P272 T278 T279 | D271-I275 WeakPolarHBondContact O-CG1 3.37Å; D271-I275 PolarHBondContact O-N 2.87Å; P272-I275 PolarHBondContact O-N 3.48Å; I275-T278 PolarHBondContact O-N 3.01Å; I275-T279 PolarHBondContact O-N 2.96Å; I275-T279 PolarHBondContact O-OG1 3.07Å; I275-T279 VanDerWaalsContact O-OG1 3.07Å |
| 276 | I | 91.8 | Very high | 83 | Confident | 65 Ų | 65 | 58.4 Ų | 58.4 | 33% | 0.333 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 179.6 | -65.5 | 165.3 | 0 | 0 | 0 | 110.6 | I232 T236 P272 F273 T278 T279 C280 | I232-I276 HydrophobicContact CG2-CG2 3.85Å; T236-I276 HydrophobicContact CG2-CB 4.29Å; T236-I276 HydrophobicContact CG2-CG2 4.05Å; T236-I276 WeakPolarHBondContact OG1-CG2 3.47Å; P272-I276 VanDerWaalsContact O-CG1 3.27Å; P272-I276 WeakPolarHBondContact O-CG1 3.49Å; P272-I276 PolarHBondContact O-N 2.9Å; F273-I276 PolarHBondContact O-N 2.86Å; I276-T278 PolarHBondContact O-N 3.16Å; I276-T279 PolarHBondContact O-N 3.43Å; I276-C280 PolarHBondContact O-N 3.36Å; I276-C280 PolarHBondContact O-SG 3.09Å |
| 277 | E | 91 | Very high | 85.2 | Confident | 20 Ų | 20 | 54.8 Ų | 54.8 | 9% | 0.093 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.9 | -48.1 | 176.9 | -173 | -179.1 | 175.8 | 0 | 0 | 111 | F273 T279 C280 V281 Y317 R352 | F273-E277 WeakPolarHBondContact O-CB 3.21Å; F273-E277 PolarHBondContact O-N 3.29Å; E277-T279 PolarHBondContact O-N 3.1Å; E277-C280 PolarHBondContact O-N 3.33Å; E277-V281 HydrophobicContact CG-CG2 4.36Å; E277-V281 WeakPolarHBondContact O-CG2 3.49Å; E277-V281 PolarHBondContact O-N 2.79Å; E277-Y317 HydrophobicContact CG-CD2 4.22Å; E277-R352 VanDerWaalsContact CD-CZ 3.45Å; E277-R352 IonicContact OE1-CZ 3.44Å; E277-R352 IonicContact OE1-NE 2.74Å; E277-R352 PolarHBondContact OE1-NE 3.44Å; E277-R352 IonicContact OE1-NH1 2.78Å; E277-R352 IonicContact OE1-NH2 3.47Å; E277-R352 PolarHBondContact OE1-NH2 2.97Å; E277-R352 IonicContact OE2-CZ 3.33Å; E277-R352 VanDerWaalsContact OE2-CZ 3.26Å; E277-R352 IonicContact OE2-NH1 3.33Å; E277-R352 PolarHBondContact OE2-NH1 3.14Å; E277-R352 IonicContact OE2-NH2 2.65Å; E277-R352 PolarHBondContact OE2-NH2 3.45Å |
| 278 | T | 91.9 | Very high | 87.5 | Confident | 26 Ų | 26 | 52 Ų | 52 | 16% | 0.16 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 178 | -62 | 0 | 0 | 0 | 0 | 111.1 | F274 I275 I276 C280 V281 I282 Y317 | F274-T278 WeakPolarHBondContact CE1-OG1 3.27Å; F274-T278 WeakPolarHBondContact O-CB 3.24Å; F274-T278 PolarHBondContact O-N 3.35Å; F274-T278 PolarHBondContact O-OG1 2.96Å; I275-T278 PolarHBondContact O-N 3.01Å; I276-T278 PolarHBondContact O-N 3.16Å; T278-C280 PolarHBondContact O-N 2.78Å; T278-V281 PolarHBondContact O-N 2.97Å; T278-I282 HydrophobicContact CG2-CD1 3.83Å; T278-I282 HydrophobicContact CG2-CG1 4.42Å; T278-I282 WeakPolarHBondContact O-CB 3.46Å; T278-I282 WeakPolarHBondContact O-CG1 3.42Å; T278-I282 PolarHBondContact O-N 3.43Å; T278-Y317 VanDerWaalsContact CG2-OH 3.27Å; T278-Y317 WeakPolarHBondContact CG2-OH 3.25Å; T278-Y317 VanDerWaalsContact OG1-CE2 3.31Å; T278-Y317 WeakPolarHBondContact OG1-CE2 3.15Å; T278-Y317 PolarHBondContact OG1-OH 3.48Å |
| 279 | T | 94.7 | Very high | 89.4 | Confident | 89 Ų | 89 | 54.6 Ų | 54.6 | 55% | 0.546 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 176.5 | -59.9 | 0 | 0 | 0 | 0 | 112 | I275 I276 E277 I282 W283 | I275-T279 PolarHBondContact O-N 2.96Å; I275-T279 PolarHBondContact O-OG1 3.07Å; I275-T279 VanDerWaalsContact O-OG1 3.07Å; I276-T279 PolarHBondContact O-N 3.43Å; E277-T279 PolarHBondContact O-N 3.1Å; T279-I282 PolarHBondContact O-N 2.99Å; T279-W283 PolarHBondContact O-N 2.82Å; T279-W283 VanDerWaalsContact O-N 3.14Å |
| 280 | C | 95.4 | Very high | 91.2 | Very high | 8 Ų | 8 | 48.6 Ų | 48.6 | 5% | 0.054 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64 | -43.6 | 177.4 | -64.9 | 0 | 0 | 0 | 0 | 111.8 | V229 I276 E277 T278 W283 F284 | V229-C280 HydrophobicContact CG1-CB 4.03Å; I276-C280 PolarHBondContact O-N 3.36Å; I276-C280 PolarHBondContact O-SG 3.09Å; E277-C280 PolarHBondContact O-N 3.33Å; T278-C280 PolarHBondContact O-N 2.78Å; C280-W283 WeakPolarHBondContact O-CB 3.31Å; C280-W283 PolarHBondContact O-N 2.98Å; C280-F284 WeakPolarHBondContact O-CG 3.45Å; C280-F284 PolarHBondContact O-N 3.32Å |
| 281 | V | 95.2 | Very high | 92.7 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 5% | 0.048 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68 | -36.4 | 179.2 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | E277 T278 W283 F284 T285 I314 Y317 F318 | E277-V281 HydrophobicContact CG-CG2 4.36Å; E277-V281 WeakPolarHBondContact O-CG2 3.49Å; E277-V281 PolarHBondContact O-N 2.79Å; T278-V281 PolarHBondContact O-N 2.97Å; V281-W283 VanDerWaalsContact C-N 3.3Å; V281-W283 PolarHBondContact O-N 2.89Å; V281-F284 PolarHBondContact O-N 3.28Å; V281-T285 VanDerWaalsContact O-CB 3.27Å; V281-T285 WeakPolarHBondContact O-CB 3.01Å; V281-T285 PolarHBondContact O-N 3.02Å; V281-T285 PolarHBondContact O-OG1 3.11Å; V281-I314 HydrophobicContact CG1-CB 4.25Å; V281-I314 HydrophobicContact CG1-CG2 4.2Å; V281-Y317 HydrophobicContact CB-CD1 4.39Å; V281-Y317 HydrophobicContact CB-CG 4.22Å; V281-Y317 HydrophobicContact CG1-CD1 3.74Å; V281-Y317 HydrophobicContact CG1-CE1 4.4Å; V281-Y317 HydrophobicContact CG1-CG 3.91Å; V281-Y317 HydrophobicContact CG2-CD2 4.2Å; V281-Y317 HydrophobicContact CG2-CG 3.98Å; V281-F318 HydrophobicContact CG1-CE2 4.1Å; V281-F318 HydrophobicContact CG1-CZ 4.49Å |
| 282 | I | 96.6 | Very high | 93.4 | Very high | 108 Ų | 108 | 46.2 Ų | 46.2 | 55% | 0.554 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -57.7 | -46.4 | 171.8 | -73.4 | 165.5 | 0 | 0 | 0 | 110.1 | T278 T279 T285 F286 | T278-I282 HydrophobicContact CG2-CD1 3.83Å; T278-I282 HydrophobicContact CG2-CG1 4.42Å; T278-I282 WeakPolarHBondContact O-CB 3.46Å; T278-I282 WeakPolarHBondContact O-CG1 3.42Å; T278-I282 PolarHBondContact O-N 3.43Å; T279-I282 PolarHBondContact O-N 2.99Å; I282-T285 PolarHBondContact O-N 3.41Å; I282-F286 WeakPolarHBondContact O-CB 3.3Å; I282-F286 PolarHBondContact O-N 3Å |
| 283 | W | 97.3 | Very high | 93.8 | Very high | 67 Ų | 67 | 48.5 Ų | 48.5 | 25% | 0.254 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.8 | -48 | 176.7 | -176 | -95.8 | 0 | 0 | 0 | 112.2 | V225 S226 V229 T279 C280 V281 T285 F286 E287 | V225-W283 HydrophobicContact CB-CZ2 4.21Å; V225-W283 HydrophobicContact CG1-CH2 3.77Å; V225-W283 HydrophobicContact CG1-CZ2 3.52Å; V225-W283 HydrophobicContact CG1-CZ3 4.46Å; S226-W283 PolarHBondContact OG-NE1 2.95Å; V229-W283 HydrophobicContact CB-CG 4.48Å; V229-W283 HydrophobicContact CG1-CB 4.09Å; V229-W283 HydrophobicContact CG1-CG 4.13Å; V229-W283 HydrophobicContact CG2-CG 4.17Å; T279-W283 PolarHBondContact O-N 2.82Å; T279-W283 VanDerWaalsContact O-N 3.14Å; C280-W283 WeakPolarHBondContact O-CB 3.31Å; C280-W283 PolarHBondContact O-N 2.98Å; V281-W283 VanDerWaalsContact C-N 3.3Å; V281-W283 PolarHBondContact O-N 2.89Å; W283-T285 VanDerWaalsContact C-N 3.31Å; W283-T285 PolarHBondContact O-N 3.19Å; W283-F286 HydrophobicContact CE3-CD1 4.46Å; W283-F286 WeakPolarHBondContact O-CB 3.27Å; W283-F286 PolarHBondContact O-N 3.45Å; W283-E287 WeakPolarHBondContact O-CB 3.18Å; W283-E287 PolarHBondContact O-N 3.49Å |
| 284 | F | 96.5 | Very high | 94.1 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 1% | 0.013 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.7 | -38.1 | 178.2 | -64.3 | -19.3 | 0 | 0 | 0 | 112.9 | V229 I230 C280 V281 E287 L288 I314 K358 | V229-F284 HydrophobicContact CB-CE1 4.47Å; V229-F284 HydrophobicContact CG1-CD1 4.44Å; V229-F284 HydrophobicContact CG1-CE1 3.77Å; V229-F284 HydrophobicContact CG1-CZ 4.19Å; I230-F284 HydrophobicContact CB-CZ 4.46Å; I230-F284 HydrophobicContact CG1-CE1 3.64Å; I230-F284 HydrophobicContact CG1-CZ 3.83Å; C280-F284 WeakPolarHBondContact O-CG 3.45Å; C280-F284 PolarHBondContact O-N 3.32Å; V281-F284 PolarHBondContact O-N 3.28Å; F284-E287 WeakPolarHBondContact O-CB 3.42Å; F284-L288 WeakPolarHBondContact O-CB 3.17Å; F284-L288 PolarHBondContact O-N 3.46Å; F284-I314 HydrophobicContact CB-CG2 3.48Å; F284-I314 VanDerWaalsContact CB-CG2 3.48Å; F284-I314 HydrophobicContact CD2-CG2 4.33Å; F284-I314 HydrophobicContact CG-CG2 4.43Å; F284-K358 HydrophobicContact CD1-CD 4Å; F284-K358 VanDerWaalsContact CD1-CE 3.45Å; F284-K358 HydrophobicContact CE1-CD 3.99Å; F284-K358 HydrophobicContact CG-CD 4.4Å; F284-K358 HydrophobicContact CZ-CD 4.36Å |
| 285 | T | 96.8 | Very high | 94.4 | Very high | 28 Ų | 28 | 45.5 Ų | 45.5 | 17% | 0.172 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.5 | -44.3 | 176.7 | -54.2 | 0 | 0 | 0 | 0 | 110 | V281 I282 W283 E287 L288 I289 F318 | V281-T285 VanDerWaalsContact O-CB 3.27Å; V281-T285 WeakPolarHBondContact O-CB 3.01Å; V281-T285 PolarHBondContact O-N 3.02Å; V281-T285 PolarHBondContact O-OG1 3.11Å; I282-T285 PolarHBondContact O-N 3.41Å; W283-T285 VanDerWaalsContact C-N 3.31Å; W283-T285 PolarHBondContact O-N 3.19Å; T285-E287 PolarHBondContact O-N 3.4Å; T285-L288 PolarHBondContact O-N 2.87Å; T285-I289 HydrophobicContact CG2-CD1 3.61Å; T285-I289 HydrophobicContact CG2-CG1 4.27Å; T285-I289 VanDerWaalsContact O-CB 3.3Å; T285-I289 WeakPolarHBondContact O-CB 3.32Å; T285-I289 WeakPolarHBondContact O-CG1 3.28Å; T285-I289 PolarHBondContact O-N 3.37Å; T285-F318 HydrophobicContact CG2-CZ 4.37Å |
| 286 | F | 96.8 | Very high | 94.5 | Very high | 93 Ų | 93 | 44 Ų | 44 | 41% | 0.408 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -56.5 | -51.2 | 174.5 | 164.9 | -103.8 | 0 | 0 | 0 | 111.4 | F210 I282 W283 L288 I289 V290 | F210-F286 AromaticContact CE1-CE1 3.88Å; F210-F286 HydrophobicContact CE1-CE1 3.88Å; F210-F286 HydrophobicContact CE1-CZ 4.47Å; F210-F286 AromaticContact CZ-CE1 3.73Å; F210-F286 HydrophobicContact CZ-CE1 3.73Å; F210-F286 AromaticContact CZ-CZ 3.95Å; F210-F286 HydrophobicContact CZ-CZ 3.95Å; I282-F286 WeakPolarHBondContact O-CB 3.3Å; I282-F286 PolarHBondContact O-N 3Å; W283-F286 HydrophobicContact CE3-CD1 4.46Å; W283-F286 WeakPolarHBondContact O-CB 3.27Å; W283-F286 PolarHBondContact O-N 3.45Å; F286-L288 PolarHBondContact O-N 3.19Å; F286-I289 PolarHBondContact O-N 3.31Å; F286-V290 HydrophobicContact CD2-CG2 3.9Å; F286-V290 HydrophobicContact CE1-CG2 4.41Å; F286-V290 HydrophobicContact CE2-CG2 3.51Å; F286-V290 HydrophobicContact CG-CG2 4.5Å; F286-V290 HydrophobicContact CZ-CG2 3.8Å; F286-V290 WeakPolarHBondContact O-CB 3.04Å; F286-V290 VanDerWaalsContact O-CG2 3.31Å; F286-V290 WeakPolarHBondContact O-CG2 3.48Å; F286-V290 PolarHBondContact O-N 2.93Å |
| 287 | E | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.5 | -48.7 | 175.6 | -91 | -154.9 | 106 | 0 | 0 | 113.1 | F210 S226 W283 F284 T285 R291 K358 | F210-E287 HydrophobicContact CE1-CG 4.34Å; S226-E287 PolarHBondContact OG-OE1 3.09Å; W283-E287 WeakPolarHBondContact O-CB 3.18Å; W283-E287 PolarHBondContact O-N 3.49Å; F284-E287 WeakPolarHBondContact O-CB 3.42Å; T285-E287 PolarHBondContact O-N 3.4Å; E287-R291 VanDerWaalsContact CB-NH1 3.31Å; E287-R291 WeakPolarHBondContact O-CB 3.48Å; E287-R291 WeakPolarHBondContact O-CG 3.32Å; E287-R291 PolarHBondContact O-N 2.85Å; E287-R291 VanDerWaalsContact O-N 3.08Å; E287-R291 IonicContact OE1-CZ 3.84Å; E287-R291 VanDerWaalsContact OE1-CZ 3.31Å; E287-R291 IonicContact OE1-NH1 3.06Å; E287-R291 PolarHBondContact OE1-NH1 2.8Å; E287-R291 IonicContact OE1-NH2 3.46Å; E287-R291 PolarHBondContact OE1-NH2 3.14Å; E287-R291 IonicContact OE2-NH1 2.72Å; E287-K358 WeakPolarHBondContact OE2-CE 3.32Å; E287-K358 IonicContact OE2-NZ 3.4Å; E287-K358 PolarHBondContact OE2-NZ 2.6Å |
| 288 | L | 95.4 | Very high | 94.5 | Very high | 21 Ų | 21 | 45.8 Ų | 45.8 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65 | -42.5 | 178.9 | 178 | 62.5 | 0 | 0 | 0 | 111.5 | F284 T285 F286 F292 F301 D310 I311 I314 | F284-L288 WeakPolarHBondContact O-CB 3.17Å; F284-L288 PolarHBondContact O-N 3.46Å; T285-L288 PolarHBondContact O-N 2.87Å; F286-L288 PolarHBondContact O-N 3.19Å; L288-F292 WeakPolarHBondContact O-CB 3.4Å; L288-F292 PolarHBondContact O-N 3.25Å; L288-F301 HydrophobicContact CD1-CE1 4.02Å; L288-F301 HydrophobicContact CD1-CZ 4.12Å; L288-D310 HydrophobicContact CD1-CB 4.03Å; L288-I311 HydrophobicContact CD1-CG1 4.41Å; L288-I311 HydrophobicContact CD2-CG1 3.83Å; L288-I314 HydrophobicContact CD2-CD1 3.68Å |
| 289 | I | 95.8 | Very high | 94.4 | Very high | 81 Ų | 81 | 48 Ų | 48 | 42% | 0.415 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.4 | -47.4 | 179.5 | -75 | 172.4 | 0 | 0 | 0 | 110.7 | T285 F286 R291 F292 F293 | T285-I289 HydrophobicContact CG2-CD1 3.61Å; T285-I289 HydrophobicContact CG2-CG1 4.27Å; T285-I289 VanDerWaalsContact O-CB 3.3Å; T285-I289 WeakPolarHBondContact O-CB 3.32Å; T285-I289 WeakPolarHBondContact O-CG1 3.28Å; T285-I289 PolarHBondContact O-N 3.37Å; F286-I289 PolarHBondContact O-N 3.31Å; I289-R291 PolarHBondContact O-N 3.09Å; I289-F292 PolarHBondContact O-N 3.33Å; I289-F293 HydrophobicContact CG2-CD2 3.57Å; I289-F293 HydrophobicContact CG2-CE2 3.55Å; I289-F293 WeakPolarHBondContact O-CD2 3.27Å; I289-F293 PolarHBondContact O-N 3.4Å |
| 290 | V | 95.1 | Very high | 94.1 | Very high | 28 Ų | 28 | 48.8 Ų | 48.8 | 17% | 0.17 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.7 | -47.2 | 179.1 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | V206 F210 F286 F293 A294 | V206-V290 HydrophobicContact CG1-CG1 3.45Å; V206-V290 VanDerWaalsContact CG1-CG1 3.45Å; F210-V290 HydrophobicContact CD1-CG1 4.24Å; F210-V290 HydrophobicContact CD2-CG1 3.69Å; F210-V290 HydrophobicContact CE1-CB 4.44Å; F210-V290 HydrophobicContact CE1-CG1 4.25Å; F210-V290 HydrophobicContact CE2-CG1 3.71Å; F210-V290 HydrophobicContact CG-CG1 3.96Å; F210-V290 HydrophobicContact CZ-CB 4.47Å; F210-V290 HydrophobicContact CZ-CG1 3.99Å; F286-V290 HydrophobicContact CD2-CG2 3.9Å; F286-V290 HydrophobicContact CE1-CG2 4.41Å; F286-V290 HydrophobicContact CE2-CG2 3.51Å; F286-V290 HydrophobicContact CG-CG2 4.5Å; F286-V290 HydrophobicContact CZ-CG2 3.8Å; F286-V290 WeakPolarHBondContact O-CB 3.04Å; F286-V290 VanDerWaalsContact O-CG2 3.31Å; F286-V290 WeakPolarHBondContact O-CG2 3.48Å; F286-V290 PolarHBondContact O-N 2.93Å; V290-F293 PolarHBondContact O-N 3.33Å; V290-A294 VanDerWaalsContact O-CB 3.27Å; V290-A294 WeakPolarHBondContact O-CB 3.45Å; V290-A294 PolarHBondContact O-N 3.36Å |
| 291 | R | 94.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 1% | 0.011 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.7 | -44.4 | 175.8 | -71.8 | -175.7 | -172.9 | 96.1 | 6.4 | 112 | W207 F210 E211 E287 I289 F293 A294 C295 F301 | W207-R291 HydrophobicContact CZ3-CB 4.22Å; W207-R291 WeakPolarHBondContact CZ3-O 3.42Å; F210-R291 HydrophobicContact CB-CG 3.93Å; F210-R291 VanDerWaalsContact O-CZ 3.3Å; F210-R291 PolarHBondContact O-NE 2.79Å; F210-R291 PolarHBondContact O-NH2 3.19Å; E211-R291 IonicContact OE2-NE 2.93Å; E287-R291 VanDerWaalsContact CB-NH1 3.31Å; E287-R291 WeakPolarHBondContact O-CB 3.48Å; E287-R291 WeakPolarHBondContact O-CG 3.32Å; E287-R291 PolarHBondContact O-N 2.85Å; E287-R291 VanDerWaalsContact O-N 3.08Å; E287-R291 IonicContact OE1-CZ 3.84Å; E287-R291 VanDerWaalsContact OE1-CZ 3.31Å; E287-R291 IonicContact OE1-NH1 3.06Å; E287-R291 PolarHBondContact OE1-NH1 2.8Å; E287-R291 IonicContact OE1-NH2 3.46Å; E287-R291 PolarHBondContact OE1-NH2 3.14Å; E287-R291 IonicContact OE2-NH1 2.72Å; I289-R291 PolarHBondContact O-N 3.09Å; R291-F293 VanDerWaalsContact C-N 3.3Å; R291-F293 PolarHBondContact O-N 3.28Å; R291-A294 PolarHBondContact O-N 3.45Å; R291-C295 WeakPolarHBondContact O-CB 3.43Å; R291-C295 PolarHBondContact O-N 3.26Å; R291-F301 HydrophobicContact CB-CE2 3.81Å; R291-F301 HydrophobicContact CB-CZ 3.8Å |
| 292 | F | 95.1 | Very high | 93.6 | Very high | 83 Ų | 83 | 51.3 Ų | 51.3 | 36% | 0.364 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.2 | -41.9 | 177.9 | -178.1 | -101.8 | 0 | 0 | 0 | 111.2 | L288 I289 C295 K298 F301 | L288-F292 WeakPolarHBondContact O-CB 3.4Å; L288-F292 PolarHBondContact O-N 3.25Å; I289-F292 PolarHBondContact O-N 3.33Å; F292-C295 PolarHBondContact O-SG 3.46Å; F292-K298 HydrophobicContact CD2-CD 4.49Å; F292-K298 HydrophobicContact CE1-CD 4.21Å; F292-K298 HydrophobicContact CE2-CB 4.11Å; F292-K298 HydrophobicContact CE2-CD 4.11Å; F292-K298 HydrophobicContact CZ-CB 4.22Å; F292-K298 HydrophobicContact CZ-CD 3.97Å; F292-K298 HydrophobicContact CZ-CG 4.4Å; F292-K298 WeakPolarHBondContact O-CD 3.25Å; F292-K298 PolarHBondContact O-NZ 3.49Å; F292-F301 HydrophobicContact CB-CE1 4.13Å; F292-F301 AromaticContact CD2-CD1 3.8Å; F292-F301 HydrophobicContact CD2-CD1 3.8Å; F292-F301 HydrophobicContact CD2-CE1 4.01Å |
| 293 | F | 93.8 | Very high | 93.3 | Very high | 131 Ų | 131 | 53.5 Ų | 53.5 | 58% | 0.575 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -75.1 | -33.5 | 177.9 | -75.2 | -60.5 | 0 | 0 | 0 | 113.9 | I289 V290 R291 K298 | I289-F293 HydrophobicContact CG2-CD2 3.57Å; I289-F293 HydrophobicContact CG2-CE2 3.55Å; I289-F293 WeakPolarHBondContact O-CD2 3.27Å; I289-F293 PolarHBondContact O-N 3.4Å; V290-F293 PolarHBondContact O-N 3.33Å; R291-F293 VanDerWaalsContact C-N 3.3Å; R291-F293 PolarHBondContact O-N 3.28Å; F293-K298 VanDerWaalsContact C-NZ 3.32Å; F293-K298 PolarHBondContact O-NZ 3.17Å |
| 294 | A | 93.1 | Very high | 93 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 3% | 0.033 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -82.8 | -17.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P198 V206 W207 V290 R291 | P198-A294 WeakPolarHBondContact CG-O 3.05Å; V206-A294 HydrophobicContact CB-CB 4.13Å; V206-A294 HydrophobicContact CG1-CB 3.76Å; W207-A294 HydrophobicContact CB-CB 4.19Å; W207-A294 HydrophobicContact CE3-CB 4.2Å; V290-A294 VanDerWaalsContact O-CB 3.27Å; V290-A294 WeakPolarHBondContact O-CB 3.45Å; V290-A294 PolarHBondContact O-N 3.36Å; R291-A294 PolarHBondContact O-N 3.45Å |
| 295 | C | 92.4 | Very high | 92.7 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.034 | 30% | 0.301 | C | S | . | . | trans | -65.3 | 150.7 | -175.7 | 72.1 | 0 | 0 | 0 | 0 | 113.9 | W207 R291 F292 F301 | W207-C295 HydrophobicContact CE3-CB 3.91Å; W207-C295 HydrophobicContact CH2-CB 3.68Å; W207-C295 HydrophobicContact CZ2-CB 4.46Å; W207-C295 HydrophobicContact CZ3-CB 3.34Å; R291-C295 WeakPolarHBondContact O-CB 3.43Å; R291-C295 PolarHBondContact O-N 3.26Å; F292-C295 PolarHBondContact O-SG 3.46Å; C295-F301 HydrophobicContact CB-CB 4.18Å; C295-F301 HydrophobicContact CB-CD2 3.6Å; C295-F301 HydrophobicContact CB-CE2 4.32Å; C295-F301 HydrophobicContact CB-CG 4.09Å | ||
| 296 | P | 90.2 | Very high | 92.4 | Very high | 53 Ų | 53 | 59.2 Ų | 59.2 | 34% | 0.344 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -67.9 | -39 | 179.9 | 28.4 | -37.8 | 0 | 0 | 0 | 113.1 | P196 | P196-P296 HydrophobicContact CB-CB 4.38Å; P196-P296 HydrophobicContact CB-CG 4.31Å; P196-P296 HydrophobicContact CG-CG 4.16Å; P196-P296 WeakPolarHBondContact O-CG 3.43Å |
| 297 | S | 91 | Very high | 92.3 | Very high | 43 Ų | 43 | 54.9 Ų | 54.9 | 30% | 0.301 | 29% | 0.286 | S | S | . | . | trans | -135.9 | 117 | -176.8 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | S299 E300 F301 | S297-S299 PolarHBondContact O-N 3.41Å; S297-E300 WeakPolarHBondContact OG-CB 3.49Å; S297-E300 PolarHBondContact OG-N 3Å; S297-F301 WeakPolarHBondContact O-CB 3.1Å; S297-F301 PolarHBondContact O-N 3.1Å | ||
| 298 | K | 91.3 | Very high | 92.2 | Very high | 80 Ų | 80 | 58.2 Ų | 58.2 | 35% | 0.348 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.9 | -36.3 | -176.1 | -49.5 | -67.4 | 158.9 | 177.9 | 0 | 112.8 | F292 F293 S302 | F292-K298 HydrophobicContact CD2-CD 4.49Å; F292-K298 HydrophobicContact CE1-CD 4.21Å; F292-K298 HydrophobicContact CE2-CB 4.11Å; F292-K298 HydrophobicContact CE2-CD 4.11Å; F292-K298 HydrophobicContact CZ-CB 4.22Å; F292-K298 HydrophobicContact CZ-CD 3.97Å; F292-K298 HydrophobicContact CZ-CG 4.4Å; F292-K298 WeakPolarHBondContact O-CD 3.25Å; F292-K298 PolarHBondContact O-NZ 3.49Å; F293-K298 VanDerWaalsContact C-NZ 3.32Å; F293-K298 PolarHBondContact O-NZ 3.17Å; K298-S302 PolarHBondContact O-N 3.42Å |
| 299 | S | 89.8 | Confident | 92.1 | Very high | 71 Ų | 71 | 58.6 Ų | 58.6 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -75.6 | -35.2 | -178.2 | -178 | 0 | 0 | 0 | 0 | 112.3 | S297 S302 K303 | S297-S299 PolarHBondContact O-N 3.41Å; S299-S302 PolarHBondContact O-OG 3.46Å; S299-S302 VanDerWaalsContact O-OG 3.14Å; S299-K303 WeakPolarHBondContact O-CD 3.09Å; S299-K303 WeakPolarHBondContact O-CG 3.33Å |
| 300 | E | 88.9 | Confident | 92 | Very high | 106 Ų | 106 | 54.9 Ų | 54.9 | 50% | 0.495 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -72.6 | -43 | 175.2 | -168.9 | 177.1 | 173.8 | 0 | 0 | 110.4 | S297 S302 K303 T304 | S297-E300 WeakPolarHBondContact OG-CB 3.49Å; S297-E300 PolarHBondContact OG-N 3Å; E300-S302 VanDerWaalsContact C-N 3.29Å; E300-S302 PolarHBondContact O-N 2.68Å; E300-K303 PolarHBondContact O-N 3.08Å; E300-T304 PolarHBondContact O-N 2.98Å; E300-T304 PolarHBondContact O-OG1 3.22Å |
| 301 | F | 90.8 | Very high | 91.9 | Very high | 11 Ų | 11 | 56.9 Ų | 56.9 | 5% | 0.048 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -51.6 | -46.5 | 175 | -179.5 | -89.5 | 0 | 0 | 0 | 112.4 | W207 L288 R291 F292 C295 S297 K303 T304 N307 | W207-F301 AromaticContact CH2-CD2 3.87Å; W207-F301 HydrophobicContact CH2-CD2 3.87Å; W207-F301 AromaticContact CH2-CE2 3.98Å; W207-F301 HydrophobicContact CH2-CE2 3.98Å; W207-F301 HydrophobicContact CZ3-CD2 4.1Å; W207-F301 AromaticContact CZ3-CE2 3.95Å; W207-F301 HydrophobicContact CZ3-CE2 3.95Å; L288-F301 HydrophobicContact CD1-CE1 4.02Å; L288-F301 HydrophobicContact CD1-CZ 4.12Å; R291-F301 HydrophobicContact CB-CE2 3.81Å; R291-F301 HydrophobicContact CB-CZ 3.8Å; F292-F301 HydrophobicContact CB-CE1 4.13Å; F292-F301 AromaticContact CD2-CD1 3.8Å; F292-F301 HydrophobicContact CD2-CD1 3.8Å; F292-F301 HydrophobicContact CD2-CE1 4.01Å; C295-F301 HydrophobicContact CB-CB 4.18Å; C295-F301 HydrophobicContact CB-CD2 3.6Å; C295-F301 HydrophobicContact CB-CE2 4.32Å; C295-F301 HydrophobicContact CB-CG 4.09Å; S297-F301 WeakPolarHBondContact O-CB 3.1Å; S297-F301 PolarHBondContact O-N 3.1Å; F301-K303 PolarHBondContact O-N 3.48Å; F301-T304 PolarHBondContact O-N 3.26Å; F301-N307 HydrophobicContact CD1-CB 4.35Å; F301-N307 WeakPolarHBondContact CD2-ND2 3.27Å; F301-N307 HydrophobicContact CE1-CB 3.98Å; F301-N307 HydrophobicContact CE2-CB 4.49Å; F301-N307 VanDerWaalsContact CE2-CG 3.43Å; F301-N307 WeakPolarHBondContact CE2-ND2 3.17Å; F301-N307 WeakPolarHBondContact CE2-OD1 3.41Å; F301-N307 WeakPolarHBondContact CG-ND2 3.44Å; F301-N307 HydrophobicContact CZ-CB 4.05Å; F301-N307 WeakPolarHBondContact CZ-OD1 3.4Å; F301-N307 VanDerWaalsContact O-CB 3.29Å; F301-N307 WeakPolarHBondContact O-CB 3.48Å; F301-N307 PolarHBondContact O-ND2 3.49Å |
| 302 | S | 89.3 | Confident | 91.8 | Very high | 58 Ų | 58 | 59.2 Ų | 59.2 | 41% | 0.406 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -16 | -179.2 | 62.2 | 0 | 0 | 0 | 0 | 114.4 | K298 S299 E300 | K298-S302 PolarHBondContact O-N 3.42Å; S299-S302 PolarHBondContact O-OG 3.46Å; S299-S302 VanDerWaalsContact O-OG 3.14Å; E300-S302 VanDerWaalsContact C-N 3.29Å; E300-S302 PolarHBondContact O-N 2.68Å |
| 303 | K | 89.7 | Confident | 91.7 | Very high | 154 Ų | 154 | 55.6 Ų | 55.6 | 67% | 0.67 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -16.6 | 177.2 | -68.2 | 171 | -175.7 | 171.8 | 0 | 113 | S299 E300 F301 I305 | S299-K303 WeakPolarHBondContact O-CD 3.09Å; S299-K303 WeakPolarHBondContact O-CG 3.33Å; E300-K303 PolarHBondContact O-N 3.08Å; F301-K303 PolarHBondContact O-N 3.48Å; K303-I305 PolarHBondContact O-N 3.17Å |
| 304 | T | 90.6 | Very high | 91.7 | Very high | 52 Ų | 52 | 50.1 Ų | 50.1 | 32% | 0.319 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -67.9 | 129.8 | 179.4 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | E300 F301 M306 N307 I308 | E300-T304 PolarHBondContact O-N 2.98Å; E300-T304 PolarHBondContact O-OG1 3.22Å; F301-T304 PolarHBondContact O-N 3.26Å; T304-M306 VanDerWaalsContact C-N 3.26Å; T304-M306 HydrophobicContact CG2-CB 4.44Å; T304-M306 PolarHBondContact O-N 3.42Å; T304-N307 PolarHBondContact O-N 2.92Å; T304-I308 PolarHBondContact O-N 2.73Å |
| 305 | I | 91.3 | Very high | 91.6 | Very high | 116 Ų | 116 | 53.3 Ų | 53.3 | 60% | 0.595 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -54.9 | -38.4 | -176.7 | -170.3 | 62.8 | 0 | 0 | 0 | 113.4 | K303 N307 I308 I309 | K303-I305 PolarHBondContact O-N 3.17Å; I305-N307 VanDerWaalsContact C-N 3.33Å; I305-N307 PolarHBondContact O-N 3.02Å; I305-I308 PolarHBondContact O-N 2.97Å; I305-I309 HydrophobicContact CG1-CD1 4.36Å; I305-I309 WeakPolarHBondContact O-CG1 3.34Å; I305-I309 PolarHBondContact O-N 3.34Å |
| 306 | M | 90.6 | Very high | 91.5 | Very high | 51 Ų | 51 | 53.1 Ų | 53.1 | 25% | 0.251 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64 | -39 | 178.5 | -57.7 | -173.5 | -147.9 | 0 | 0 | 111.8 | T304 I309 D310 | T304-M306 VanDerWaalsContact C-N 3.26Å; T304-M306 HydrophobicContact CG2-CB 4.44Å; T304-M306 PolarHBondContact O-N 3.42Å; M306-I309 WeakPolarHBondContact O-CB 3.36Å; M306-I309 PolarHBondContact O-N 3.26Å; M306-D310 PolarHBondContact O-N 3.09Å |
| 307 | N | 93.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.011 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -75.9 | -30.7 | 179.8 | -61.1 | -30 | 0 | 0 | 0 | 111.6 | F301 T304 I305 I309 D310 I311 R361 | F301-N307 HydrophobicContact CD1-CB 4.35Å; F301-N307 WeakPolarHBondContact CD2-ND2 3.27Å; F301-N307 HydrophobicContact CE1-CB 3.98Å; F301-N307 HydrophobicContact CE2-CB 4.49Å; F301-N307 VanDerWaalsContact CE2-CG 3.43Å; F301-N307 WeakPolarHBondContact CE2-ND2 3.17Å; F301-N307 WeakPolarHBondContact CE2-OD1 3.41Å; F301-N307 WeakPolarHBondContact CG-ND2 3.44Å; F301-N307 HydrophobicContact CZ-CB 4.05Å; F301-N307 WeakPolarHBondContact CZ-OD1 3.4Å; F301-N307 VanDerWaalsContact O-CB 3.29Å; F301-N307 WeakPolarHBondContact O-CB 3.48Å; F301-N307 PolarHBondContact O-ND2 3.49Å; T304-N307 PolarHBondContact O-N 2.92Å; I305-N307 VanDerWaalsContact C-N 3.33Å; I305-N307 PolarHBondContact O-N 3.02Å; N307-I309 VanDerWaalsContact C-N 3.33Å; N307-D310 PolarHBondContact O-N 2.87Å; N307-I311 WeakPolarHBondContact O-CG1 3.35Å; N307-I311 PolarHBondContact O-N 3.25Å; N307-R361 PolarHBondContact OD1-NH2 3.33Å |
| 308 | I | 93.6 | Very high | 91.5 | Very high | 70 Ų | 70 | 55.4 Ų | 55.4 | 36% | 0.359 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 169.5 | -64.4 | 171.7 | 0 | 0 | 0 | 109.8 | T304 I305 D310 I311 M312 | T304-I308 PolarHBondContact O-N 2.73Å; I305-I308 PolarHBondContact O-N 2.97Å; I308-D310 VanDerWaalsContact C-N 3.33Å; I308-D310 PolarHBondContact O-N 3.25Å; I308-I311 PolarHBondContact O-N 2.96Å; I308-M312 HydrophobicContact CG2-CG 4.29Å; I308-M312 WeakPolarHBondContact O-CB 3.35Å; I308-M312 VanDerWaalsContact O-CG 3.31Å; I308-M312 WeakPolarHBondContact O-CG 3.08Å; I308-M312 PolarHBondContact O-N 3.33Å |
| 309 | I | 93.5 | Very high | 91.3 | Very high | 29 Ų | 29 | 54.7 Ų | 54.7 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 175.2 | -68.5 | 160.7 | 0 | 0 | 0 | 111.1 | I305 M306 N307 I311 M312 S313 F357 K358 | I305-I309 HydrophobicContact CG1-CD1 4.36Å; I305-I309 WeakPolarHBondContact O-CG1 3.34Å; I305-I309 PolarHBondContact O-N 3.34Å; M306-I309 WeakPolarHBondContact O-CB 3.36Å; M306-I309 PolarHBondContact O-N 3.26Å; N307-I309 VanDerWaalsContact C-N 3.33Å; I309-I311 VanDerWaalsContact C-N 3.33Å; I309-I311 PolarHBondContact O-N 2.52Å; I309-M312 PolarHBondContact O-N 3.41Å; I309-S313 WeakPolarHBondContact O-CB 3.4Å; I309-S313 PolarHBondContact O-N 3.27Å; I309-F357 HydrophobicContact CD1-CB 3.94Å; I309-F357 HydrophobicContact CG1-CB 4.3Å; I309-F357 HydrophobicContact CG2-CB 3.85Å; I309-K358 HydrophobicContact CG2-CB 4.39Å |
| 310 | D | 93.9 | Very high | 91 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.3 | -43.3 | 175.6 | -76.2 | -42.4 | 0 | 0 | 0 | 111.7 | L288 M306 N307 I308 S313 K358 R361 | L288-D310 HydrophobicContact CD1-CB 4.03Å; M306-D310 PolarHBondContact O-N 3.09Å; N307-D310 PolarHBondContact O-N 2.87Å; I308-D310 VanDerWaalsContact C-N 3.33Å; I308-D310 PolarHBondContact O-N 3.25Å; D310-S313 PolarHBondContact O-N 2.75Å; D310-S313 PolarHBondContact O-OG 2.88Å; D310-K358 WeakPolarHBondContact OD1-CG 3.47Å; D310-K358 IonicContact OD1-NZ 3.91Å; D310-K358 PolarHBondContact OD1-NZ 3.48Å; D310-R361 IonicContact OD2-CZ 3.7Å; D310-R361 IonicContact OD2-NE 3.29Å; D310-R361 IonicContact OD2-NH2 2.8Å; D310-R361 PolarHBondContact OD2-NH2 2.91Å |
| 311 | I | 93.7 | Very high | 90.8 | Very high | 69 Ų | 69 | 49.2 Ų | 49.2 | 35% | 0.354 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66 | -47.3 | 175.8 | -66.6 | 164 | 0 | 0 | 0 | 111.3 | L288 N307 I308 I309 S313 I314 M315 | L288-I311 HydrophobicContact CD1-CG1 4.41Å; L288-I311 HydrophobicContact CD2-CG1 3.83Å; N307-I311 WeakPolarHBondContact O-CG1 3.35Å; N307-I311 PolarHBondContact O-N 3.25Å; I308-I311 PolarHBondContact O-N 2.96Å; I309-I311 VanDerWaalsContact C-N 3.33Å; I309-I311 PolarHBondContact O-N 2.52Å; I311-S313 PolarHBondContact O-N 3.47Å; I311-I314 VanDerWaalsContact O-CG1 3.26Å; I311-I314 WeakPolarHBondContact O-CG1 3.23Å; I311-I314 PolarHBondContact O-N 2.88Å; I311-M315 HydrophobicContact CG2-CE 4.3Å; I311-M315 WeakPolarHBondContact O-CB 3.44Å; I311-M315 PolarHBondContact O-N 3.47Å |
| 312 | M | 92.5 | Very high | 90.4 | Very high | 53 Ų | 53 | 50.5 Ų | 50.5 | 26% | 0.261 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.2 | -27.7 | 179 | -70.8 | -58.9 | -60.8 | 0 | 0 | 112.4 | I308 I309 M315 P316 V351 | I308-M312 HydrophobicContact CG2-CG 4.29Å; I308-M312 WeakPolarHBondContact O-CB 3.35Å; I308-M312 VanDerWaalsContact O-CG 3.31Å; I308-M312 WeakPolarHBondContact O-CG 3.08Å; I308-M312 PolarHBondContact O-N 3.33Å; I309-M312 PolarHBondContact O-N 3.41Å; M312-M315 HydrophobicContact CE-CE 4.44Å; M312-M315 HydrophobicContact CE-SD 4.29Å; M312-M315 HydrophobicContact SD-CE 3.45Å; M312-M315 WeakPolarHBondContact SD-CE 3.16Å; M312-M315 HydrophobicContact SD-SD 4.06Å; M312-P316 VanDerWaalsContact O-CD 3.22Å; M312-P316 WeakPolarHBondContact O-CD 3.38Å; M312-V351 HydrophobicContact CE-CG1 3.51Å |
| 313 | S | 92.1 | Very high | 89.9 | Confident | 7 Ų | 7 | 49.8 Ų | 49.8 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72 | -28.4 | 179.8 | 77.2 | 0 | 0 | 0 | 0 | 114.3 | I309 D310 I311 | I309-S313 WeakPolarHBondContact O-CB 3.4Å; I309-S313 PolarHBondContact O-N 3.27Å; D310-S313 PolarHBondContact O-N 2.75Å; D310-S313 PolarHBondContact O-OG 2.88Å; I311-S313 PolarHBondContact O-N 3.47Å |
| 314 | I | 93.5 | Very high | 89.2 | Confident | 16 Ų | 16 | 46.2 Ų | 46.2 | 8% | 0.082 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -99.6 | -24.4 | -179.8 | 62.2 | 173.1 | 0 | 0 | 0 | 112.7 | V281 F284 L288 I311 P316 Y317 F318 | V281-I314 HydrophobicContact CG1-CB 4.25Å; V281-I314 HydrophobicContact CG1-CG2 4.2Å; F284-I314 HydrophobicContact CB-CG2 3.48Å; F284-I314 VanDerWaalsContact CB-CG2 3.48Å; F284-I314 HydrophobicContact CD2-CG2 4.33Å; F284-I314 HydrophobicContact CG-CG2 4.43Å; L288-I314 HydrophobicContact CD2-CD1 3.68Å; I311-I314 VanDerWaalsContact O-CG1 3.26Å; I311-I314 WeakPolarHBondContact O-CG1 3.23Å; I311-I314 PolarHBondContact O-N 2.88Å; I314-P316 VanDerWaalsContact C-CD 3.45Å; I314-Y317 PolarHBondContact O-N 3.41Å; I314-F318 HydrophobicContact CB-CD2 4.28Å; I314-F318 HydrophobicContact CB-CE2 4.1Å; I314-F318 HydrophobicContact CD1-CE2 4.09Å; I314-F318 HydrophobicContact CG1-CD2 4.44Å; I314-F318 HydrophobicContact CG1-CE2 4.35Å; I314-F318 WeakPolarHBondContact O-CD2 3.41Å; I314-F318 PolarHBondContact O-N 3.02Å |
| 315 | M | 92 | Very high | 88.4 | Confident | 70 Ų | 70 | 48.3 Ų | 48.3 | 35% | 0.345 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -51.2 | -44.6 | -176.5 | 178.1 | -169.2 | -60.6 | 0 | 0 | 113.8 | I311 M312 Y317 F318 I319 | I311-M315 HydrophobicContact CG2-CE 4.3Å; I311-M315 WeakPolarHBondContact O-CB 3.44Å; I311-M315 PolarHBondContact O-N 3.47Å; M312-M315 HydrophobicContact CE-CE 4.44Å; M312-M315 HydrophobicContact CE-SD 4.29Å; M312-M315 HydrophobicContact SD-CE 3.45Å; M312-M315 WeakPolarHBondContact SD-CE 3.16Å; M312-M315 HydrophobicContact SD-SD 4.06Å; M315-Y317 VanDerWaalsContact C-N 3.28Å; M315-Y317 PolarHBondContact O-N 3.49Å; M315-F318 PolarHBondContact O-N 3.01Å; M315-I319 HydrophobicContact CG-CD1 3.45Å; M315-I319 VanDerWaalsContact CG-CD1 3.45Å; M315-I319 HydrophobicContact CG-CG1 4.06Å; M315-I319 WeakPolarHBondContact O-CG1 3.41Å; M315-I319 PolarHBondContact O-N 3.4Å; M315-I319 HydrophobicContact SD-CD1 3.99Å |
| 316 | P | 90.2 | Very high | 87.7 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.013 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.7 | -37.6 | -178.1 | -28.3 | 37.6 | 0 | 0 | 0 | 114 | M312 I314 T320 I348 V351 R352 | M312-P316 VanDerWaalsContact O-CD 3.22Å; M312-P316 WeakPolarHBondContact O-CD 3.38Å; I314-P316 VanDerWaalsContact C-CD 3.45Å; P316-T320 WeakPolarHBondContact O-CB 3.14Å; P316-T320 PolarHBondContact O-N 3.49Å; P316-T320 PolarHBondContact O-OG1 2.65Å; P316-I348 HydrophobicContact CB-CG2 3.72Å; P316-I348 HydrophobicContact CG-CG2 4.5Å; P316-V351 HydrophobicContact CG-CB 3.82Å; P316-V351 HydrophobicContact CG-CG1 3.69Å; P316-R352 HydrophobicContact CB-CG 3.57Å; P316-R352 HydrophobicContact CG-CG 3.88Å |
| 317 | Y | 89.9 | Confident | 86.6 | Confident | 34 Ų | 34 | 47.7 Ų | 47.7 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.1 | -51.4 | 179.8 | 177.8 | -92.6 | 0 | 0 | 0 | 111.2 | F274 E277 T278 V281 I314 M315 I319 T320 V321 | F274-Y317 AromaticContact CE2-CE2 3.97Å; F274-Y317 HydrophobicContact CE2-CE2 3.97Å; F274-Y317 HydrophobicContact CZ-CE2 4.29Å; E277-Y317 HydrophobicContact CG-CD2 4.22Å; T278-Y317 VanDerWaalsContact CG2-OH 3.27Å; T278-Y317 WeakPolarHBondContact CG2-OH 3.25Å; T278-Y317 VanDerWaalsContact OG1-CE2 3.31Å; T278-Y317 WeakPolarHBondContact OG1-CE2 3.15Å; T278-Y317 PolarHBondContact OG1-OH 3.48Å; V281-Y317 HydrophobicContact CB-CD1 4.39Å; V281-Y317 HydrophobicContact CB-CG 4.22Å; V281-Y317 HydrophobicContact CG1-CD1 3.74Å; V281-Y317 HydrophobicContact CG1-CE1 4.4Å; V281-Y317 HydrophobicContact CG1-CG 3.91Å; V281-Y317 HydrophobicContact CG2-CD2 4.2Å; V281-Y317 HydrophobicContact CG2-CG 3.98Å; I314-Y317 PolarHBondContact O-N 3.41Å; M315-Y317 VanDerWaalsContact C-N 3.28Å; M315-Y317 PolarHBondContact O-N 3.49Å; Y317-I319 VanDerWaalsContact C-N 3.34Å; Y317-I319 PolarHBondContact O-N 2.91Å; Y317-T320 PolarHBondContact O-N 2.86Å; Y317-V321 HydrophobicContact CD1-CG2 4.4Å; Y317-V321 HydrophobicContact CE1-CG2 4.02Å; Y317-V321 HydrophobicContact CE2-CG2 4.3Å; Y317-V321 WeakPolarHBondContact O-CG2 3.44Å; Y317-V321 PolarHBondContact O-N 2.94Å |
| 318 | F | 90.8 | Very high | 85.2 | Confident | 109 Ų | 109 | 54 Ų | 54 | 48% | 0.478 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.7 | -37.4 | -179.6 | -72 | -71.2 | 0 | 0 | 0 | 112.6 | V281 T285 I314 M315 G322 | V281-F318 HydrophobicContact CG1-CE2 4.1Å; V281-F318 HydrophobicContact CG1-CZ 4.49Å; T285-F318 HydrophobicContact CG2-CZ 4.37Å; I314-F318 HydrophobicContact CB-CD2 4.28Å; I314-F318 HydrophobicContact CB-CE2 4.1Å; I314-F318 HydrophobicContact CD1-CE2 4.09Å; I314-F318 HydrophobicContact CG1-CD2 4.44Å; I314-F318 HydrophobicContact CG1-CE2 4.35Å; I314-F318 WeakPolarHBondContact O-CD2 3.41Å; I314-F318 PolarHBondContact O-N 3.02Å; M315-F318 PolarHBondContact O-N 3.01Å; F318-G322 PolarHBondContact O-N 2.62Å |
| 319 | I | 87.9 | Confident | 83.6 | Confident | 65 Ų | 65 | 59.2 Ų | 59.2 | 33% | 0.333 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 174.2 | -63.4 | 173.7 | 0 | 0 | 0 | 110.2 | M315 Y317 G322 T323 I348 | M315-I319 HydrophobicContact CG-CD1 3.45Å; M315-I319 VanDerWaalsContact CG-CD1 3.45Å; M315-I319 HydrophobicContact CG-CG1 4.06Å; M315-I319 WeakPolarHBondContact O-CG1 3.41Å; M315-I319 PolarHBondContact O-N 3.4Å; M315-I319 HydrophobicContact SD-CD1 3.99Å; Y317-I319 VanDerWaalsContact C-N 3.34Å; Y317-I319 PolarHBondContact O-N 2.91Å; I319-G322 PolarHBondContact O-N 3.35Å; I319-T323 HydrophobicContact CG2-CG2 4.25Å; I319-T323 WeakPolarHBondContact O-CG2 3.29Å; I319-T323 PolarHBondContact O-N 3.18Å; I319-T323 PolarHBondContact O-OG1 2.87Å; I319-I348 HydrophobicContact CB-CD1 4.4Å; I319-I348 HydrophobicContact CG2-CD1 3.48Å; I319-I348 VanDerWaalsContact CG2-CD1 3.48Å; I319-I348 HydrophobicContact CG2-CG1 4.47Å |
| 320 | T | 82.8 | Confident | 81.8 | Confident | 22 Ų | 22 | 60.4 Ų | 60.4 | 14% | 0.135 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.4 | -51.2 | -179.4 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | P316 Y317 G322 T323 E324 | P316-T320 WeakPolarHBondContact O-CB 3.14Å; P316-T320 PolarHBondContact O-N 3.49Å; P316-T320 PolarHBondContact O-OG1 2.65Å; Y317-T320 PolarHBondContact O-N 2.86Å; T320-G322 VanDerWaalsContact C-N 3.34Å; T320-G322 PolarHBondContact O-N 3.3Å; T320-T323 PolarHBondContact O-N 3.43Å; T320-T323 PolarHBondContact O-OG1 3.34Å; T320-E324 WeakPolarHBondContact O-CG 3.47Å; T320-E324 PolarHBondContact O-N 3.21Å |
| 321 | V | 84 | Confident | 79.7 | Confident | 40 Ų | 40 | 69 Ų | 69 | 24% | 0.242 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 177.7 | 174 | 0 | 0 | 0 | 0 | 111.2 | Y317 T323 E324 L325 | Y317-V321 HydrophobicContact CD1-CG2 4.4Å; Y317-V321 HydrophobicContact CE1-CG2 4.02Å; Y317-V321 HydrophobicContact CE2-CG2 4.3Å; Y317-V321 WeakPolarHBondContact O-CG2 3.44Å; Y317-V321 PolarHBondContact O-N 2.94Å; V321-T323 PolarHBondContact O-N 2.96Å; V321-E324 PolarHBondContact O-N 3.33Å; V321-L325 HydrophobicContact CG1-CD1 3.81Å; V321-L325 HydrophobicContact CG1-CG 4.39Å; V321-L325 WeakPolarHBondContact O-CB 3.41Å; V321-L325 VanDerWaalsContact O-CG 3.3Å; V321-L325 WeakPolarHBondContact O-CG 3.44Å; V321-L325 PolarHBondContact O-N 2.84Å |
| 322 | G | 83.7 | Confident | 77.5 | Confident | 38 Ų | 38 | 74.2 Ų | 74.2 | 39% | 0.392 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F318 I319 T320 A326 | F318-G322 PolarHBondContact O-N 2.62Å; I319-G322 PolarHBondContact O-N 3.35Å; T320-G322 VanDerWaalsContact C-N 3.34Å; T320-G322 PolarHBondContact O-N 3.3Å; G322-A326 WeakPolarHBondContact O-CB 3.38Å; G322-A326 PolarHBondContact O-N 3.36Å |
| 323 | T | 78.2 | Confident | 75.2 | Confident | 44 Ų | 44 | 79.1 Ų | 79.1 | 27% | 0.27 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 175.9 | 48.3 | 0 | 0 | 0 | 0 | 112.2 | I319 T320 V321 L325 A326 E327 | I319-T323 HydrophobicContact CG2-CG2 4.25Å; I319-T323 WeakPolarHBondContact O-CG2 3.29Å; I319-T323 PolarHBondContact O-N 3.18Å; I319-T323 PolarHBondContact O-OG1 2.87Å; T320-T323 PolarHBondContact O-N 3.43Å; T320-T323 PolarHBondContact O-OG1 3.34Å; V321-T323 PolarHBondContact O-N 2.96Å; T323-L325 PolarHBondContact O-N 2.76Å; T323-A326 PolarHBondContact O-N 3.42Å; T323-E327 WeakPolarHBondContact O-CG 3.46Å; T323-E327 PolarHBondContact O-N 3.35Å |
| 324 | E | 74.2 | Confident | 73.3 | Confident | 79 Ų | 79 | 85.3 Ų | 85.3 | 37% | 0.369 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 177.8 | -72.7 | 179.7 | -178.3 | 0 | 0 | 111.9 | T320 V321 Q328 | T320-E324 WeakPolarHBondContact O-CG 3.47Å; T320-E324 PolarHBondContact O-N 3.21Å; V321-E324 PolarHBondContact O-N 3.33Å; E324-Q328 WeakPolarHBondContact O-CG 3.29Å; E324-Q328 PolarHBondContact O-N 2.89Å |
| 325 | L | 75.8 | Confident | 71.4 | Confident | 96 Ų | 96 | 91.6 Ų | 91.6 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.9 | -38.6 | 175.7 | -72.1 | 169.2 | 0 | 0 | 0 | 112.5 | V321 T323 Q328 Q329 | V321-L325 HydrophobicContact CG1-CD1 3.81Å; V321-L325 HydrophobicContact CG1-CG 4.39Å; V321-L325 WeakPolarHBondContact O-CB 3.41Å; V321-L325 VanDerWaalsContact O-CG 3.3Å; V321-L325 WeakPolarHBondContact O-CG 3.44Å; V321-L325 PolarHBondContact O-N 2.84Å; T323-L325 PolarHBondContact O-N 2.76Å; L325-Q328 PolarHBondContact O-N 3.38Å; L325-Q329 PolarHBondContact O-N 2.84Å |
| 326 | A | 74.7 | Confident | 69.6 | Low | 61 Ų | 61 | 91 Ų | 91 | 50% | 0.504 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G322 T323 Q328 Q329 G330 | G322-A326 WeakPolarHBondContact O-CB 3.38Å; G322-A326 PolarHBondContact O-N 3.36Å; T323-A326 PolarHBondContact O-N 3.42Å; A326-Q328 VanDerWaalsContact C-N 3.28Å; A326-Q328 PolarHBondContact O-N 2.8Å; A326-Q329 PolarHBondContact O-N 3.38Å; A326-G330 PolarHBondContact O-N 3.29Å; A326-G330 VanDerWaalsContact O-N 3.13Å |
| 327 | E | 67.8 | Low | 68 | Low | 92 Ų | 92 | 97.2 Ų | 97.2 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -30.2 | 175.3 | -75.8 | -174.9 | 174.3 | 0 | 0 | 112.7 | T323 S341 | T323-E327 WeakPolarHBondContact O-CG 3.46Å; T323-E327 PolarHBondContact O-N 3.35Å; E327-S341 PolarHBondContact OE1-OG 3.21Å |
| 328 | Q | 63.5 | Low | 66.4 | Low | 135 Ų | 135 | 100.5 Ų | 100.5 | 63% | 0.631 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -72.5 | -26.5 | 175.7 | -72.2 | -179.9 | 1.2 | 0 | 0 | 113.5 | E324 L325 A326 | E324-Q328 WeakPolarHBondContact O-CG 3.29Å; E324-Q328 PolarHBondContact O-N 2.89Å; L325-Q328 PolarHBondContact O-N 3.38Å; A326-Q328 VanDerWaalsContact C-N 3.28Å; A326-Q328 PolarHBondContact O-N 2.8Å |
| 329 | Q | 60.6 | Low | 64.7 | Low | 180 Ų | 180 | 98.6 Ų | 98.6 | 84% | 0.841 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -90.7 | -24.3 | 179.3 | -68.9 | -176.1 | -7.7 | 0 | 0 | 113.2 | L325 A326 Q331 | L325-Q329 PolarHBondContact O-N 2.84Å; A326-Q329 PolarHBondContact O-N 3.38Å; Q329-Q331 PolarHBondContact O-N 3.07Å |
| 330 | G | 56.3 | Low | 63.2 | Low | 54 Ų | 54 | 101.6 Ų | 101.6 | 56% | 0.557 | 55% | 0.552 | S | S | * | * | trans | -96.5 | 64.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A326 E332 | A326-G330 PolarHBondContact O-N 3.29Å; A326-G330 VanDerWaalsContact O-N 3.13Å; G330-E332 VanDerWaalsContact C-N 3.29Å; G330-E332 PolarHBondContact O-N 3.17Å | ||
| 331 | Q | 49.3 | Very low | 62.3 | Low | 182 Ų | 182 | 101.8 Ų | 101.8 | 85% | 0.85 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | 9.1 | -172.1 | -134.6 | 176.2 | 17.1 | 0 | 0 | 116.2 | Q329 | Q329-Q331 PolarHBondContact O-N 3.07Š|
| 332 | E | 48.3 | Very low | 61.5 | Low | 180 Ų | 180 | 104.8 Ų | 104.8 | 84% | 0.841 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.7 | 0 | -171.1 | -92.5 | -160.2 | 153.8 | 0 | 0 | 119.6 | G330 | G330-E332 VanDerWaalsContact C-N 3.29Å; G330-E332 PolarHBondContact O-N 3.17Å |
| 333 | H | 43.9 | Very low | 60.9 | Low | 155 Ų | 155 | 105.3 Ų | 105.3 | 72% | 0.718 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -134.5 | 113.6 | 179.1 | -100.3 | 52.4 | 0 | 0 | 0 | 115.7 | ||
| 334 | Q | 51.3 | Low | 60.7 | Low | 137 Ų | 137 | 107.8 Ų | 107.8 | 64% | 0.64 | 58% | 0.58 | S | S | * | * | trans | 81.8 | 99.6 | 150.8 | -60.4 | -177 | 9.2 | 0 | 0 | 119.7 | G336 Q337 | Q334-G336 PolarHBondContact O-N 3.31Å; Q334-Q337 PolarHBondContact O-N 3.03Å; Q334-Q337 VanDerWaalsContact O-N 3.11Å | ||
| 335 | N | 54.4 | Low | 60.7 | Low | 148 Ų | 148 | 105.3 Ų | 105.3 | 79% | 0.791 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48 | -16.6 | 163.4 | -97.2 | -4 | 0 | 0 | 0 | 115.5 | ||
| 336 | G | 53.8 | Low | 60.7 | Low | 57 Ų | 57 | 109.5 Ų | 109.5 | 59% | 0.588 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -25 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q334 | Q334-G336 PolarHBondContact O-N 3.31Š|
| 337 | Q | 56.8 | Low | 61 | Low | 133 Ų | 133 | 111 Ų | 111 | 62% | 0.621 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -81 | -24.2 | -178.3 | -135.4 | 166 | -13.8 | 0 | 0 | 112.2 | Q334 M340 S341 | Q334-Q337 PolarHBondContact O-N 3.03Å; Q334-Q337 VanDerWaalsContact O-N 3.11Å; Q337-M340 PolarHBondContact O-N 3.17Å; Q337-S341 PolarHBondContact O-N 3.06Å |
| 338 | Q | 56.7 | Low | 61.7 | Low | 104 Ų | 104 | 107.5 Ų | 107.5 | 49% | 0.486 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.6 | -36.5 | 177.5 | -102.5 | 176.1 | -24.7 | 0 | 0 | 113.9 | S341 L342 | Q338-S341 WeakPolarHBondContact CA-OG 3.37Å; Q338-S341 PolarHBondContact O-N 3.26Å; Q338-S341 PolarHBondContact O-OG 2.96Å; Q338-L342 VanDerWaalsContact O-CG 3.27Å; Q338-L342 WeakPolarHBondContact O-CG 3.48Å; Q338-L342 PolarHBondContact O-N 3.24Å; Q338-L342 VanDerWaalsContact O-N 3.13Å |
| 339 | A | 54 | Low | 62.5 | Low | 68 Ų | 68 | 106.7 Ų | 106.7 | 56% | 0.562 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.7 | -36.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | A343 | A339-A343 PolarHBondContact O-N 3.27Å |
| 340 | M | 56.1 | Low | 63.6 | Low | 128 Ų | 128 | 103.6 Ų | 103.6 | 63% | 0.631 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -71.1 | -38.6 | 175.4 | -71.7 | -70.4 | -78.5 | 0 | 0 | 111.6 | Q337 A343 I344 | Q337-M340 PolarHBondContact O-N 3.17Å; M340-A343 PolarHBondContact O-N 3.18Å; M340-I344 WeakPolarHBondContact O-CB 3.5Å; M340-I344 WeakPolarHBondContact O-CD1 3.37Å; M340-I344 WeakPolarHBondContact O-CG1 3.29Å; M340-I344 PolarHBondContact O-N 2.92Å |
| 341 | S | 64.6 | Low | 65.1 | Low | 26 Ų | 26 | 102.4 Ų | 102.4 | 18% | 0.182 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -62.9 | -42 | 175.4 | 67.5 | 0 | 0 | 0 | 0 | 111.7 | E327 Q337 Q338 A343 I344 L345 | E327-S341 PolarHBondContact OE1-OG 3.21Å; Q337-S341 PolarHBondContact O-N 3.06Å; Q338-S341 WeakPolarHBondContact CA-OG 3.37Å; Q338-S341 PolarHBondContact O-N 3.26Å; Q338-S341 PolarHBondContact O-OG 2.96Å; S341-A343 PolarHBondContact O-N 3.14Å; S341-I344 PolarHBondContact O-N 3.28Å; S341-L345 WeakPolarHBondContact O-CB 3.45Å; S341-L345 VanDerWaalsContact O-CG 3.22Å; S341-L345 WeakPolarHBondContact O-CG 3.48Å; S341-L345 PolarHBondContact O-N 3.35Å |
| 342 | L | 68.6 | Low | 67 | Low | 104 Ų | 104 | 94.5 Ų | 94.5 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 176.5 | -68.4 | 174.1 | 0 | 0 | 0 | 113.7 | Q338 R346 | Q338-L342 VanDerWaalsContact O-CG 3.27Å; Q338-L342 WeakPolarHBondContact O-CG 3.48Å; Q338-L342 PolarHBondContact O-N 3.24Å; Q338-L342 VanDerWaalsContact O-N 3.13Å; L342-R346 WeakPolarHBondContact O-CG 3.48Å; L342-R346 PolarHBondContact O-N 3.28Å |
| 343 | A | 69.4 | Low | 69 | Low | 49 Ų | 49 | 88.6 Ų | 88.6 | 41% | 0.405 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.3 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A339 M340 S341 L345 R346 V347 | A339-A343 PolarHBondContact O-N 3.27Å; M340-A343 PolarHBondContact O-N 3.18Å; S341-A343 PolarHBondContact O-N 3.14Å; A343-L345 VanDerWaalsContact C-N 3.35Å; A343-L345 PolarHBondContact O-N 3.34Å; A343-R346 WeakPolarHBondContact O-CB 3.22Å; A343-R346 PolarHBondContact O-N 3.01Å; A343-V347 PolarHBondContact O-N 3.01Å |
| 344 | I | 75.4 | Confident | 71.1 | Confident | 96 Ų | 96 | 86 Ų | 86 | 49% | 0.492 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 177.2 | -68.3 | 164.8 | 0 | 0 | 0 | 110.7 | M340 S341 R346 V347 I348 | M340-I344 WeakPolarHBondContact O-CB 3.5Å; M340-I344 WeakPolarHBondContact O-CD1 3.37Å; M340-I344 WeakPolarHBondContact O-CG1 3.29Å; M340-I344 PolarHBondContact O-N 2.92Å; S341-I344 PolarHBondContact O-N 3.28Å; I344-R346 VanDerWaalsContact C-N 3.3Å; I344-R346 PolarHBondContact O-N 3.42Å; I344-V347 PolarHBondContact O-N 3.14Å; I344-V347 VanDerWaalsContact O-N 3.15Å; I344-I348 HydrophobicContact CG2-CD1 3.66Å; I344-I348 HydrophobicContact CG2-CG1 4.36Å; I344-I348 WeakPolarHBondContact O-CD1 3.38Å; I344-I348 VanDerWaalsContact O-CG1 3.31Å; I344-I348 WeakPolarHBondContact O-CG1 3.29Å; I344-I348 PolarHBondContact O-N 2.93Å |
| 345 | L | 73.4 | Confident | 73.1 | Confident | 27 Ų | 27 | 80.2 Ų | 80.2 | 14% | 0.141 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.7 | -34.1 | 175.6 | -71.7 | 173.2 | 0 | 0 | 0 | 113.1 | S341 A343 I348 R349 | S341-L345 WeakPolarHBondContact O-CB 3.45Å; S341-L345 VanDerWaalsContact O-CG 3.22Å; S341-L345 WeakPolarHBondContact O-CG 3.48Å; S341-L345 PolarHBondContact O-N 3.35Å; A343-L345 VanDerWaalsContact C-N 3.35Å; A343-L345 PolarHBondContact O-N 3.34Å; L345-I348 HydrophobicContact CD2-CD1 4.21Å; L345-I348 PolarHBondContact O-N 3.42Å; L345-R349 WeakPolarHBondContact O-CG 3.37Å; L345-R349 PolarHBondContact O-N 3.03Å; L345-R349 VanDerWaalsContact O-N 3.13Å |
| 346 | R | 76.1 | Confident | 74.9 | Confident | 183 Ų | 183 | 76.6 Ų | 76.6 | 69% | 0.691 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.3 | -41.3 | 173.8 | -69.9 | 174.7 | -175 | -173.9 | 1.5 | 112 | L342 A343 I344 R349 | L342-R346 WeakPolarHBondContact O-CG 3.48Å; L342-R346 PolarHBondContact O-N 3.28Å; A343-R346 WeakPolarHBondContact O-CB 3.22Å; A343-R346 PolarHBondContact O-N 3.01Å; I344-R346 VanDerWaalsContact C-N 3.3Å; I344-R346 PolarHBondContact O-N 3.42Å; R346-R349 PolarHBondContact O-N 3.49Å |
| 347 | V | 80.8 | Confident | 76.8 | Confident | 93 Ų | 93 | 78.6 Ų | 78.6 | 56% | 0.564 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -67.7 | -40.1 | 176.9 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | A343 I344 R349 L350 V351 | A343-V347 PolarHBondContact O-N 3.01Å; I344-V347 PolarHBondContact O-N 3.14Å; I344-V347 VanDerWaalsContact O-N 3.15Å; V347-R349 VanDerWaalsContact C-N 3.25Å; V347-R349 PolarHBondContact O-N 3.49Å; V347-L350 WeakPolarHBondContact O-CB 3.39Å; V347-L350 PolarHBondContact O-N 3.22Å; V347-V351 PolarHBondContact O-N 3.3Å |
| 348 | I | 82.5 | Confident | 78.5 | Confident | 18 Ų | 18 | 72.5 Ų | 72.5 | 9% | 0.092 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.6 | -34.7 | 176.4 | -69.4 | 159.6 | 0 | 0 | 0 | 111.7 | P316 I319 I344 L345 L350 V351 | P316-I348 HydrophobicContact CB-CG2 3.72Å; P316-I348 HydrophobicContact CG-CG2 4.5Å; I319-I348 HydrophobicContact CB-CD1 4.4Å; I319-I348 HydrophobicContact CG2-CD1 3.48Å; I319-I348 VanDerWaalsContact CG2-CD1 3.48Å; I319-I348 HydrophobicContact CG2-CG1 4.47Å; I344-I348 HydrophobicContact CG2-CD1 3.66Å; I344-I348 HydrophobicContact CG2-CG1 4.36Å; I344-I348 WeakPolarHBondContact O-CD1 3.38Å; I344-I348 VanDerWaalsContact O-CG1 3.31Å; I344-I348 WeakPolarHBondContact O-CG1 3.29Å; I344-I348 PolarHBondContact O-N 2.93Å; L345-I348 HydrophobicContact CD2-CD1 4.21Å; L345-I348 PolarHBondContact O-N 3.42Å; I348-L350 VanDerWaalsContact C-N 3.28Å; I348-L350 PolarHBondContact O-N 3.16Å; I348-V351 WeakPolarHBondContact O-CB 3.08Å; I348-V351 PolarHBondContact O-N 3.4Å; I348-V351 VanDerWaalsContact O-N 3.12Å |
| 349 | R | 80.8 | Confident | 80.2 | Confident | 119 Ų | 119 | 69.8 Ų | 69.8 | 45% | 0.449 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.3 | -33.5 | 173.7 | -71 | 177.4 | -172.3 | -170.5 | 0.9 | 112.7 | F237 L345 R346 V347 V351 R352 | F237-R349 WeakPolarHBondContact CE2-O 3.2Å; L345-R349 WeakPolarHBondContact O-CG 3.37Å; L345-R349 PolarHBondContact O-N 3.03Å; L345-R349 VanDerWaalsContact O-N 3.13Å; R346-R349 PolarHBondContact O-N 3.49Å; V347-R349 VanDerWaalsContact C-N 3.25Å; V347-R349 PolarHBondContact O-N 3.49Å; R349-V351 VanDerWaalsContact C-N 3.27Å; R349-V351 PolarHBondContact O-N 3.04Å; R349-R352 VanDerWaalsContact O-CB 3.23Å; R349-R352 WeakPolarHBondContact O-CB 3.35Å; R349-R352 WeakPolarHBondContact O-CG 3.42Å; R349-R352 PolarHBondContact O-N 3.07Å |
| 350 | L | 83.2 | Confident | 81.9 | Confident | 115 Ų | 115 | 67.2 Ų | 67.2 | 60% | 0.602 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.9 | -32.3 | 175.3 | -61.1 | 177.3 | 0 | 0 | 0 | 111.8 | V347 I348 R352 V353 | V347-L350 WeakPolarHBondContact O-CB 3.39Å; V347-L350 PolarHBondContact O-N 3.22Å; I348-L350 VanDerWaalsContact C-N 3.28Å; I348-L350 PolarHBondContact O-N 3.16Å; L350-R352 PolarHBondContact O-N 3.25Å; L350-V353 VanDerWaalsContact O-CB 3.27Å; L350-V353 WeakPolarHBondContact O-CB 3.25Å; L350-V353 WeakPolarHBondContact O-CG2 3.46Å; L350-V353 PolarHBondContact O-N 3.26Å |
| 351 | V | 88.3 | Confident | 83.5 | Confident | 29 Ų | 29 | 61.9 Ų | 61.9 | 18% | 0.176 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.9 | -26.6 | 176.2 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | M312 P316 V347 I348 R349 V353 F354 | M312-V351 HydrophobicContact CE-CG1 3.51Å; P316-V351 HydrophobicContact CG-CB 3.82Å; P316-V351 HydrophobicContact CG-CG1 3.69Å; V347-V351 PolarHBondContact O-N 3.3Å; I348-V351 WeakPolarHBondContact O-CB 3.08Å; I348-V351 PolarHBondContact O-N 3.4Å; I348-V351 VanDerWaalsContact O-N 3.12Å; R349-V351 VanDerWaalsContact C-N 3.27Å; R349-V351 PolarHBondContact O-N 3.04Å; V351-V353 PolarHBondContact O-N 3.3Å; V351-V353 VanDerWaalsContact O-N 3.13Å; V351-F354 HydrophobicContact CB-CD2 4.31Å; V351-F354 HydrophobicContact CG1-CD2 3.93Å; V351-F354 HydrophobicContact CG1-CE2 4.5Å; V351-F354 WeakPolarHBondContact O-CB 3.42Å; V351-F354 WeakPolarHBondContact O-CD2 3.42Å; V351-F354 PolarHBondContact O-N 2.97Å |
| 352 | R | 89.1 | Confident | 84.6 | Confident | 16 Ų | 16 | 63.1 Ų | 63.1 | 6% | 0.06 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -59.1 | -24.8 | 174.3 | -60.5 | 175.7 | 172.7 | -174.5 | -10.7 | 112.8 | F237 E240 E277 P316 R349 L350 F354 R355 | F237-R352 HydrophobicContact CD2-CB 4.16Å; F237-R352 HydrophobicContact CE2-CB 4.15Å; E240-R352 IonicContact OE1-NH1 3.64Å; E240-R352 IonicContact OE2-NH1 3.25Å; E240-R352 PolarHBondContact OE2-NH1 3.12Å; E277-R352 VanDerWaalsContact CD-CZ 3.45Å; E277-R352 IonicContact OE1-CZ 3.44Å; E277-R352 IonicContact OE1-NE 2.74Å; E277-R352 PolarHBondContact OE1-NE 3.44Å; E277-R352 IonicContact OE1-NH1 2.78Å; E277-R352 IonicContact OE1-NH2 3.47Å; E277-R352 PolarHBondContact OE1-NH2 2.97Å; E277-R352 IonicContact OE2-CZ 3.33Å; E277-R352 VanDerWaalsContact OE2-CZ 3.26Å; E277-R352 IonicContact OE2-NH1 3.33Å; E277-R352 PolarHBondContact OE2-NH1 3.14Å; E277-R352 IonicContact OE2-NH2 2.65Å; E277-R352 PolarHBondContact OE2-NH2 3.45Å; P316-R352 HydrophobicContact CB-CG 3.57Å; P316-R352 HydrophobicContact CG-CG 3.88Å; R349-R352 VanDerWaalsContact O-CB 3.23Å; R349-R352 WeakPolarHBondContact O-CB 3.35Å; R349-R352 WeakPolarHBondContact O-CG 3.42Å; R349-R352 PolarHBondContact O-N 3.07Å; L350-R352 PolarHBondContact O-N 3.25Å; R352-F354 PolarHBondContact O-N 3.07Å; R352-R355 VanDerWaalsContact O-CD 3.23Å; R352-R355 WeakPolarHBondContact O-CD 3.23Å; R352-R355 WeakPolarHBondContact O-CG 3.2Å; R352-R355 PolarHBondContact O-N 3.5Å; R352-R355 PolarHBondContact O-NE 3.49Å |
| 353 | V | 89.4 | Confident | 85.6 | Confident | 56 Ų | 56 | 60.6 Ų | 60.6 | 34% | 0.339 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -62.6 | -30.6 | 176.2 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | F237 L350 V351 R355 I356 | F237-V353 HydrophobicContact CE1-CG2 3.56Å; F237-V353 HydrophobicContact CE2-CG2 4.39Å; F237-V353 HydrophobicContact CZ-CG2 3.41Å; F237-V353 VanDerWaalsContact CZ-CG2 3.41Å; L350-V353 VanDerWaalsContact O-CB 3.27Å; L350-V353 WeakPolarHBondContact O-CB 3.25Å; L350-V353 WeakPolarHBondContact O-CG2 3.46Å; L350-V353 PolarHBondContact O-N 3.26Å; V351-V353 PolarHBondContact O-N 3.3Å; V351-V353 VanDerWaalsContact O-N 3.13Å; V353-R355 PolarHBondContact O-N 2.78Å; V353-R355 VanDerWaalsContact O-N 3.09Å; V353-I356 HydrophobicContact CG1-CD1 3.82Å; V353-I356 WeakPolarHBondContact O-CB 3.39Å; V353-I356 VanDerWaalsContact O-CG1 3.24Å; V353-I356 WeakPolarHBondContact O-CG1 3.4Å; V353-I356 PolarHBondContact O-N 3.26Å |
| 354 | F | 88.9 | Confident | 86.4 | Confident | 99 Ų | 99 | 62 Ų | 62 | 43% | 0.434 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -62.6 | -20.3 | -178.8 | -70.6 | -66.2 | 0 | 0 | 0 | 113.9 | V351 R352 I356 F357 | V351-F354 HydrophobicContact CB-CD2 4.31Å; V351-F354 HydrophobicContact CG1-CD2 3.93Å; V351-F354 HydrophobicContact CG1-CE2 4.5Å; V351-F354 WeakPolarHBondContact O-CB 3.42Å; V351-F354 WeakPolarHBondContact O-CD2 3.42Å; V351-F354 PolarHBondContact O-N 2.97Å; R352-F354 PolarHBondContact O-N 3.07Å; F354-I356 PolarHBondContact O-N 2.83Å; F354-I356 VanDerWaalsContact O-N 3.13Å; F354-F357 HydrophobicContact CB-CD2 4.45Å; F354-F357 AromaticContact CD1-CD2 3.86Å; F354-F357 HydrophobicContact CD1-CD2 3.86Å; F354-F357 AromaticContact CD1-CE2 3.79Å; F354-F357 HydrophobicContact CD1-CE2 3.79Å; F354-F357 HydrophobicContact CE1-CE2 4.34Å; F354-F357 WeakPolarHBondContact O-CB 3.15Å; F354-F357 WeakPolarHBondContact O-CD2 3.1Å; F354-F357 PolarHBondContact O-N 3.33Å |
| 355 | R | 92.5 | Very high | 87 | Confident | 17 Ų | 17 | 59.3 Ų | 59.3 | 6% | 0.064 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -63.7 | -16.7 | 174.7 | 79.2 | -161 | 156 | 154.6 | 12.3 | 113.4 | S233 I234 R352 V353 F357 K358 | S233-R355 VanDerWaalsContact CB-NH1 3.32Å; S233-R355 PolarHBondContact O-NH1 3.29Å; S233-R355 VanDerWaalsContact O-NH1 3.12Å; S233-R355 PolarHBondContact O-NH2 3.33Å; S233-R355 WeakPolarHBondContact OG-CD 3.14Å; I234-R355 HydrophobicContact CG1-CG 4.41Å; R352-R355 VanDerWaalsContact O-CD 3.23Å; R352-R355 WeakPolarHBondContact O-CD 3.23Å; R352-R355 WeakPolarHBondContact O-CG 3.2Å; R352-R355 PolarHBondContact O-N 3.5Å; R352-R355 PolarHBondContact O-NE 3.49Å; V353-R355 PolarHBondContact O-N 2.78Å; V353-R355 VanDerWaalsContact O-N 3.09Å; R355-F357 PolarHBondContact O-N 3.06Å; R355-K358 WeakPolarHBondContact O-CB 3.44Å; R355-K358 PolarHBondContact O-N 2.85Å |
| 356 | I | 93.3 | Very high | 87.8 | Confident | 71 Ų | 71 | 60.5 Ų | 60.5 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -56.7 | -38.8 | 169.2 | -63.1 | 170.2 | 0 | 0 | 0 | 110 | I234 V353 F354 K358 L359 | I234-I356 HydrophobicContact CD1-CB 4.34Å; I234-I356 HydrophobicContact CD1-CG1 3.76Å; I234-I356 HydrophobicContact CG1-CG1 3.84Å; I234-I356 HydrophobicContact CG2-CG1 4.38Å; V353-I356 HydrophobicContact CG1-CD1 3.82Å; V353-I356 WeakPolarHBondContact O-CB 3.39Å; V353-I356 VanDerWaalsContact O-CG1 3.24Å; V353-I356 WeakPolarHBondContact O-CG1 3.4Å; V353-I356 PolarHBondContact O-N 3.26Å; F354-I356 PolarHBondContact O-N 2.83Å; F354-I356 VanDerWaalsContact O-N 3.13Å; I356-K358 PolarHBondContact O-N 3Å; I356-L359 WeakPolarHBondContact O-CB 3.49Å; I356-L359 WeakPolarHBondContact O-CG 3.43Å; I356-L359 PolarHBondContact O-N 3.05Å; I356-L359 VanDerWaalsContact O-N 3.13Å |
| 357 | F | 93.3 | Very high | 88.4 | Confident | 99 Ų | 99 | 54.2 Ų | 54.2 | 43% | 0.434 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -68.2 | -12.8 | 178.1 | -64.4 | -72.4 | 0 | 0 | 0 | 113.5 | I309 F354 R355 L359 S360 | I309-F357 HydrophobicContact CD1-CB 3.94Å; I309-F357 HydrophobicContact CG1-CB 4.3Å; I309-F357 HydrophobicContact CG2-CB 3.85Å; F354-F357 HydrophobicContact CB-CD2 4.45Å; F354-F357 AromaticContact CD1-CD2 3.86Å; F354-F357 HydrophobicContact CD1-CD2 3.86Å; F354-F357 AromaticContact CD1-CE2 3.79Å; F354-F357 HydrophobicContact CD1-CE2 3.79Å; F354-F357 HydrophobicContact CE1-CE2 4.34Å; F354-F357 WeakPolarHBondContact O-CB 3.15Å; F354-F357 WeakPolarHBondContact O-CD2 3.1Å; F354-F357 PolarHBondContact O-N 3.33Å; R355-F357 PolarHBondContact O-N 3.06Å; F357-L359 PolarHBondContact O-N 3.01Å; F357-S360 WeakPolarHBondContact O-CB 3.48Å; F357-S360 PolarHBondContact O-N 3.45Å; F357-S360 PolarHBondContact O-OG 3.09Å |
| 358 | K | 93.3 | Very high | 88.9 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 2% | 0.022 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -62.2 | -25.9 | 172 | -166.3 | 176.4 | 162.3 | 99.3 | 0 | 111.6 | I230 F284 E287 I309 D310 R355 I356 S360 R361 | I230-K358 HydrophobicContact CD1-CB 3.95Å; I230-K358 HydrophobicContact CD1-CD 3.85Å; I230-K358 HydrophobicContact CD1-CG 3.69Å; I230-K358 HydrophobicContact CG1-CB 4.38Å; I230-K358 HydrophobicContact CG1-CD 3.94Å; I230-K358 HydrophobicContact CG1-CG 4.28Å; F284-K358 HydrophobicContact CD1-CD 4Å; F284-K358 VanDerWaalsContact CD1-CE 3.45Å; F284-K358 HydrophobicContact CE1-CD 3.99Å; F284-K358 HydrophobicContact CG-CD 4.4Å; F284-K358 HydrophobicContact CZ-CD 4.36Å; E287-K358 WeakPolarHBondContact OE2-CE 3.32Å; E287-K358 IonicContact OE2-NZ 3.4Å; E287-K358 PolarHBondContact OE2-NZ 2.6Å; I309-K358 HydrophobicContact CG2-CB 4.39Å; D310-K358 WeakPolarHBondContact OD1-CG 3.47Å; D310-K358 IonicContact OD1-NZ 3.91Å; D310-K358 PolarHBondContact OD1-NZ 3.48Å; R355-K358 WeakPolarHBondContact O-CB 3.44Å; R355-K358 PolarHBondContact O-N 2.85Å; I356-K358 PolarHBondContact O-N 3Å; K358-S360 PolarHBondContact O-N 2.89Å; K358-S360 VanDerWaalsContact O-N 3.17Å; K358-R361 PolarHBondContact O-N 2.89Å |
| 359 | L | 91.1 | Very high | 89.4 | Confident | 47 Ų | 47 | 52.9 Ų | 52.9 | 25% | 0.246 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -60 | -21.8 | 170.9 | -65.2 | 174.6 | 0 | 0 | 0 | 113 | V227 I230 I234 I356 F357 R361 H362 S363 | V227-L359 HydrophobicContact CG1-CD2 4.24Å; I230-L359 HydrophobicContact CB-CD2 4.06Å; I230-L359 HydrophobicContact CD1-CD2 4.1Å; I230-L359 HydrophobicContact CG2-CD1 4.44Å; I230-L359 HydrophobicContact CG2-CD2 3.64Å; I230-L359 HydrophobicContact CG2-CG 3.75Å; I234-L359 HydrophobicContact CD1-CD1 4.4Å; I356-L359 WeakPolarHBondContact O-CB 3.49Å; I356-L359 WeakPolarHBondContact O-CG 3.43Å; I356-L359 PolarHBondContact O-N 3.05Å; I356-L359 VanDerWaalsContact O-N 3.13Å; F357-L359 PolarHBondContact O-N 3.01Å; L359-R361 PolarHBondContact O-N 3.27Å; L359-H362 CarbonylContact O-C 3.51Å; L359-H362 PolarHBondContact O-N 2.75Å; L359-S363 WeakPolarHBondContact O-CB 3.37Å; L359-S363 PolarHBondContact O-N 3.34Å |
| 360 | S | 90.8 | Very high | 89.9 | Confident | 15 Ų | 15 | 49 Ų | 49 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -59 | -32.1 | 178 | 65.8 | 0 | 0 | 0 | 0 | 112.6 | F357 K358 H362 S363 Q367 | F357-S360 WeakPolarHBondContact O-CB 3.48Å; F357-S360 PolarHBondContact O-N 3.45Å; F357-S360 PolarHBondContact O-OG 3.09Å; K358-S360 PolarHBondContact O-N 2.89Å; K358-S360 VanDerWaalsContact O-N 3.17Å; S360-H362 PolarHBondContact O-N 2.94Å; S360-S363 PolarHBondContact O-N 3.02Å; S360-Q367 WeakPolarHBondContact O-CG 3.34Å; S360-Q367 PolarHBondContact O-NE2 3.03Å |
| 361 | R | 89.2 | Confident | 90.2 | Very high | 16 Ų | 16 | 46.8 Ų | 46.8 | 6% | 0.06 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -61.8 | -31.1 | 174.9 | -174.8 | 176.6 | -66.4 | -81 | 10 | 112.5 | E211 N307 D310 K358 L359 Q367 | E211-R361 IonicContact OE1-CZ 3.63Å; E211-R361 IonicContact OE1-NH1 3.67Å; E211-R361 PolarHBondContact OE1-NH1 2.9Å; E211-R361 IonicContact OE2-CZ 3.24Å; E211-R361 IonicContact OE2-NH1 3.64Å; E211-R361 PolarHBondContact OE2-NH1 3.35Å; N307-R361 PolarHBondContact OD1-NH2 3.33Å; D310-R361 IonicContact OD2-CZ 3.7Å; D310-R361 IonicContact OD2-NE 3.29Å; D310-R361 IonicContact OD2-NH2 2.8Å; D310-R361 PolarHBondContact OD2-NH2 2.91Å; K358-R361 PolarHBondContact O-N 2.89Å; L359-R361 PolarHBondContact O-N 3.27Å; R361-Q367 PolarHBondContact O-NE2 3.31Å |
| 362 | H | 87.9 | Confident | 90.5 | Very high | 51 Ų | 51 | 45.5 Ų | 45.5 | 24% | 0.236 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -103.7 | 0.7 | -176.5 | -54.2 | -63.1 | 0 | 0 | 0 | 113.1 | V227 L359 S360 | V227-H362 HydrophobicContact CG2-CB 3.71Å; L359-H362 CarbonylContact O-C 3.51Å; L359-H362 PolarHBondContact O-N 2.75Å; S360-H362 PolarHBondContact O-N 2.94Å |
| 363 | S | 89.2 | Confident | 90.6 | Very high | 51 Ų | 51 | 48 Ų | 48 | 36% | 0.357 | 26% | 0.258 | S | S | . | . | trans | -124 | 102.9 | -178.6 | -179.7 | 0 | 0 | 0 | 0 | 110.1 | L359 S360 G365 L366 Q367 | L359-S363 WeakPolarHBondContact O-CB 3.37Å; L359-S363 PolarHBondContact O-N 3.34Å; S360-S363 PolarHBondContact O-N 3.02Å; S363-G365 PolarHBondContact O-N 3.25Å; S363-L366 PolarHBondContact O-N 2.94Å; S363-L366 VanDerWaalsContact O-N 3.09Å; S363-L366 PolarHBondContact OG-N 2.99Å; S363-Q367 PolarHBondContact O-N 2.94Å; S363-Q367 VanDerWaalsContact O-N 3.14Å | ||
| 364 | K | 85.5 | Confident | 90.8 | Very high | 80 Ų | 80 | 53.6 Ų | 53.6 | 35% | 0.348 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -53.6 | -41.6 | 173 | -65 | -166.4 | -178.6 | -170.7 | 0 | 111.2 | L366 Q367 I368 E472 D476 | K364-L366 VanDerWaalsContact C-N 3.32Å; K364-L366 PolarHBondContact O-N 2.74Å; K364-Q367 WeakPolarHBondContact O-CB 3.42Å; K364-Q367 PolarHBondContact O-N 2.98Å; K364-Q367 VanDerWaalsContact O-N 3.09Å; K364-I368 VanDerWaalsContact O-CG1 3.27Å; K364-I368 WeakPolarHBondContact O-CG1 3.47Å; K364-I368 PolarHBondContact O-N 3.13Å; K364-E472 HydrophobicContact CD-CG 4.46Å; K364-D476 IonicContact NZ-OD1 2.69Å; K364-D476 PolarHBondContact NZ-OD1 2.84Å; K364-D476 IonicContact NZ-OD2 2.91Å; K364-D476 PolarHBondContact NZ-OD2 3.17Å |
| 365 | G | 88.6 | Confident | 90.9 | Very high | 38 Ų | 38 | 51.5 Ų | 51.5 | 39% | 0.392 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.9 | -41 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | S363 I368 L369 | S363-G365 PolarHBondContact O-N 3.25Å; G365-I368 PolarHBondContact O-N 3.14Å; G365-L369 WeakPolarHBondContact O-CB 3.27Å; G365-L369 PolarHBondContact O-N 2.82Å |
| 366 | L | 89.9 | Confident | 91 | Very high | 53 Ų | 53 | 50.7 Ų | 50.7 | 28% | 0.277 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -74.3 | -29.7 | 177.9 | -169.9 | 53.8 | 0 | 0 | 0 | 112.3 | S363 K364 L369 G370 | S363-L366 PolarHBondContact O-N 2.94Å; S363-L366 VanDerWaalsContact O-N 3.09Å; S363-L366 PolarHBondContact OG-N 2.99Å; K364-L366 VanDerWaalsContact C-N 3.32Å; K364-L366 PolarHBondContact O-N 2.74Å; L366-L369 HydrophobicContact CD1-CD2 3.95Å; L366-G370 PolarHBondContact O-N 2.77Å |
| 367 | Q | 89.9 | Confident | 91 | Very high | 51 Ų | 51 | 53 Ų | 53 | 24% | 0.238 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.8 | -45.7 | 171.3 | -62.9 | 176.7 | 16.2 | 0 | 0 | 111.3 | S360 R361 S363 K364 L369 G370 Q371 | S360-Q367 WeakPolarHBondContact O-CG 3.34Å; S360-Q367 PolarHBondContact O-NE2 3.03Å; R361-Q367 PolarHBondContact O-NE2 3.31Å; S363-Q367 PolarHBondContact O-N 2.94Å; S363-Q367 VanDerWaalsContact O-N 3.14Å; K364-Q367 WeakPolarHBondContact O-CB 3.42Å; K364-Q367 PolarHBondContact O-N 2.98Å; K364-Q367 VanDerWaalsContact O-N 3.09Å; Q367-L369 VanDerWaalsContact C-N 3.31Å; Q367-L369 PolarHBondContact O-N 3.1Å; Q367-G370 PolarHBondContact O-N 2.93Å; Q367-G370 VanDerWaalsContact O-N 3.11Å; Q367-Q371 WeakPolarHBondContact O-CG 3.37Å; Q367-Q371 PolarHBondContact O-N 3.41Å |
| 368 | I | 90.9 | Very high | 91 | Very high | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.036 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 174.9 | -66.7 | 161.1 | 0 | 0 | 0 | 110.1 | K364 G365 G370 Q371 T372 F465 F468 Y469 E472 | K364-I368 VanDerWaalsContact O-CG1 3.27Å; K364-I368 WeakPolarHBondContact O-CG1 3.47Å; K364-I368 PolarHBondContact O-N 3.13Å; G365-I368 PolarHBondContact O-N 3.14Å; I368-G370 VanDerWaalsContact C-N 3.33Å; I368-G370 PolarHBondContact O-N 2.74Å; I368-Q371 PolarHBondContact O-N 2.96Å; I368-T372 WeakPolarHBondContact O-CB 3.43Å; I368-T372 PolarHBondContact O-N 3.26Å; I368-T372 PolarHBondContact O-OG1 2.81Å; I368-F465 HydrophobicContact CG2-CD2 3.99Å; I368-F465 HydrophobicContact CG2-CE2 3.78Å; I368-F468 HydrophobicContact CG2-CB 3.92Å; I368-Y469 HydrophobicContact CD1-CD2 4.12Å; I368-E472 HydrophobicContact CD1-CB 4.04Å; I368-E472 HydrophobicContact CD1-CG 4.24Å; I368-E472 HydrophobicContact CG1-CB 4.36Å |
| 369 | L | 92.6 | Very high | 91 | Very high | 75 Ų | 75 | 57.9 Ų | 57.9 | 39% | 0.393 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 174.2 | -179.1 | 62.7 | 0 | 0 | 0 | 111.4 | G365 L366 Q367 T372 L373 | G365-L369 WeakPolarHBondContact O-CB 3.27Å; G365-L369 PolarHBondContact O-N 2.82Å; L366-L369 HydrophobicContact CD1-CD2 3.95Å; Q367-L369 VanDerWaalsContact C-N 3.31Å; Q367-L369 PolarHBondContact O-N 3.1Å; L369-T372 WeakPolarHBondContact O-CB 3.32Å; L369-T372 PolarHBondContact O-N 3.31Å; L369-L373 HydrophobicContact CD1-CD1 4.38Å; L369-L373 HydrophobicContact CD1-CG 4.33Å; L369-L373 HydrophobicContact CG-CD1 4.18Å; L369-L373 WeakPolarHBondContact O-CB 3.4Å; L369-L373 VanDerWaalsContact O-CG 3.31Å; L369-L373 WeakPolarHBondContact O-CG 3.43Å; L369-L373 PolarHBondContact O-N 3.2Å |
| 370 | G | 91.2 | Very high | 91.1 | Very high | 38 Ų | 38 | 58 Ų | 58 | 39% | 0.392 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L366 Q367 I368 L373 K374 | L366-G370 PolarHBondContact O-N 2.77Å; Q367-G370 PolarHBondContact O-N 2.93Å; Q367-G370 VanDerWaalsContact O-N 3.11Å; I368-G370 VanDerWaalsContact C-N 3.33Å; I368-G370 PolarHBondContact O-N 2.74Å; G370-L373 PolarHBondContact O-N 3.37Å; G370-K374 WeakPolarHBondContact O-CB 3.41Å; G370-K374 PolarHBondContact O-N 3.32Å |
| 371 | Q | 90.1 | Very high | 91.3 | Very high | 69 Ų | 69 | 59.1 Ų | 59.1 | 32% | 0.322 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 175.3 | -69.2 | 178.4 | 11.1 | 0 | 0 | 111.4 | Q367 I368 L373 K374 A375 F468 | Q367-Q371 WeakPolarHBondContact O-CG 3.37Å; Q367-Q371 PolarHBondContact O-N 3.41Å; I368-Q371 PolarHBondContact O-N 2.96Å; Q371-L373 PolarHBondContact O-N 2.93Å; Q371-K374 PolarHBondContact O-N 3.47Å; Q371-A375 WeakPolarHBondContact O-CB 3.37Å; Q371-A375 PolarHBondContact O-N 2.97Å; Q371-F468 HydrophobicContact CB-CD1 4.48Å; Q371-F468 HydrophobicContact CB-CG 4.44Å |
| 372 | T | 92.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.7 | -48 | 176.9 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | I368 L369 A375 S376 I461 N464 F465 | I368-T372 WeakPolarHBondContact O-CB 3.43Å; I368-T372 PolarHBondContact O-N 3.26Å; I368-T372 PolarHBondContact O-OG1 2.81Å; L369-T372 WeakPolarHBondContact O-CB 3.32Å; L369-T372 PolarHBondContact O-N 3.31Å; T372-A375 PolarHBondContact O-N 3.49Å; T372-S376 VanDerWaalsContact O-CB 3.24Å; T372-S376 WeakPolarHBondContact O-CB 3.41Å; T372-S376 PolarHBondContact O-N 3.32Å; T372-S376 PolarHBondContact O-OG 3.22Å; T372-I461 HydrophobicContact CG2-CG2 4.2Å; T372-I461 WeakPolarHBondContact CG2-O 3.12Å; T372-N464 HydrophobicContact CG2-CB 4.07Å; T372-F465 HydrophobicContact CG2-CB 3.82Å; T372-F465 WeakPolarHBondContact OG1-CA 3.45Å |
| 373 | L | 93.1 | Very high | 91.8 | Very high | 69 Ų | 69 | 61.2 Ų | 61.2 | 36% | 0.361 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 178.5 | -72.3 | 173.3 | 0 | 0 | 0 | 111.1 | L369 G370 Q371 A375 S376 M377 L380 | L369-L373 HydrophobicContact CD1-CD1 4.38Å; L369-L373 HydrophobicContact CD1-CG 4.33Å; L369-L373 HydrophobicContact CG-CD1 4.18Å; L369-L373 WeakPolarHBondContact O-CB 3.4Å; L369-L373 VanDerWaalsContact O-CG 3.31Å; L369-L373 WeakPolarHBondContact O-CG 3.43Å; L369-L373 PolarHBondContact O-N 3.2Å; G370-L373 PolarHBondContact O-N 3.37Å; Q371-L373 PolarHBondContact O-N 2.93Å; L373-A375 PolarHBondContact O-N 3.49Å; L373-S376 CarbonylContact O-C 3.46Å; L373-S376 PolarHBondContact O-N 3.4Å; L373-M377 WeakPolarHBondContact O-CG 3.33Å; L373-M377 PolarHBondContact O-N 2.98Å; L373-M377 VanDerWaalsContact O-N 3.08Å; L373-L380 HydrophobicContact CD2-CD2 4.38Å |
| 374 | K | 91.6 | Very high | 92.1 | Very high | 174 Ų | 174 | 63.8 Ų | 63.8 | 76% | 0.757 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.8 | -44.9 | 176.2 | -174.6 | -177.1 | 177 | -172.1 | 0 | 111.6 | G370 Q371 S376 M377 | G370-K374 WeakPolarHBondContact O-CB 3.41Å; G370-K374 PolarHBondContact O-N 3.32Å; Q371-K374 PolarHBondContact O-N 3.47Å; K374-S376 VanDerWaalsContact C-N 3.31Å; K374-M377 WeakPolarHBondContact O-CG 3.43Å |
| 375 | A | 91.1 | Very high | 92.6 | Very high | 54 Ų | 54 | 65.5 Ų | 65.5 | 45% | 0.446 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.4 | -29.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q371 T372 L373 F468 | Q371-A375 WeakPolarHBondContact O-CB 3.37Å; Q371-A375 PolarHBondContact O-N 2.97Å; T372-A375 PolarHBondContact O-N 3.49Å; L373-A375 PolarHBondContact O-N 3.49Å; A375-F468 HydrophobicContact CB-CE2 3.65Å; A375-F468 HydrophobicContact CB-CZ 3.96Å |
| 376 | S | 94.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.007 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 17.7 | -176.1 | -42.9 | 0 | 0 | 0 | 0 | 113.6 | T372 L373 K374 R378 E379 L380 N464 | T372-S376 VanDerWaalsContact O-CB 3.24Å; T372-S376 WeakPolarHBondContact O-CB 3.41Å; T372-S376 PolarHBondContact O-N 3.32Å; T372-S376 PolarHBondContact O-OG 3.22Å; L373-S376 CarbonylContact O-C 3.46Å; L373-S376 PolarHBondContact O-N 3.4Å; K374-S376 VanDerWaalsContact C-N 3.31Å; S376-R378 PolarHBondContact O-N 2.98Å; S376-E379 VanDerWaalsContact CA-OE2 3.3Å; S376-E379 WeakPolarHBondContact CA-OE2 3.31Å; S376-E379 PolarHBondContact O-N 3.47Å; S376-L380 WeakPolarHBondContact O-CB 3.48Å; S376-L380 PolarHBondContact O-N 3.49Å; S376-N464 PolarHBondContact OG-ND2 3.25Å |
| 377 | M | 93.3 | Very high | 93.2 | Very high | 118 Ų | 118 | 67.7 Ų | 67.7 | 58% | 0.581 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.4 | -33.3 | -176.7 | -80.2 | -61 | -63.2 | 0 | 0 | 112.6 | L373 K374 L380 G381 | L373-M377 WeakPolarHBondContact O-CG 3.33Å; L373-M377 PolarHBondContact O-N 2.98Å; L373-M377 VanDerWaalsContact O-N 3.08Å; K374-M377 WeakPolarHBondContact O-CG 3.43Å; M377-L380 HydrophobicContact SD-CD2 4.5Å; M377-G381 PolarHBondContact O-N 3.31Å |
| 378 | R | 93.5 | Very high | 93.5 | Very high | 185 Ų | 185 | 71 Ų | 71 | 70% | 0.698 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -67.1 | -47 | 178.1 | -179.7 | -178.1 | 64.7 | 165.4 | -0.8 | 110.7 | S376 G381 L382 | S376-R378 PolarHBondContact O-N 2.98Å; R378-G381 PolarHBondContact O-N 3.05Å; R378-L382 WeakPolarHBondContact O-CG 3.5Å; R378-L382 PolarHBondContact O-N 3.22Å |
| 379 | E | 94.3 | Very high | 93.9 | Very high | 22 Ų | 22 | 74.4 Ų | 74.4 | 10% | 0.103 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.5 | -41.2 | -179.6 | -65.2 | 67.7 | -150.4 | 0 | 0 | 110.8 | S376 G381 L382 L383 V460 I461 | S376-E379 VanDerWaalsContact CA-OE2 3.3Å; S376-E379 WeakPolarHBondContact CA-OE2 3.31Å; S376-E379 PolarHBondContact O-N 3.47Å; E379-G381 VanDerWaalsContact C-N 3.34Å; E379-L382 PolarHBondContact O-N 3.28Å; E379-L383 PolarHBondContact O-N 3.06Å; E379-V460 HydrophobicContact CG-CB 4.2Å; E379-V460 HydrophobicContact CG-CG1 3.77Å; E379-I461 HydrophobicContact CB-CG1 4.41Å |
| 380 | L | 93.6 | Very high | 94.1 | Very high | 50 Ų | 50 | 71.2 Ų | 71.2 | 26% | 0.262 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 173 | -172.6 | 65.4 | 0 | 0 | 0 | 111.6 | L373 S376 M377 L383 I384 | L373-L380 HydrophobicContact CD2-CD2 4.38Å; S376-L380 WeakPolarHBondContact O-CB 3.48Å; S376-L380 PolarHBondContact O-N 3.49Å; M377-L380 HydrophobicContact SD-CD2 4.5Å; L380-L383 HydrophobicContact CD1-CD2 4.44Å; L380-L383 WeakPolarHBondContact O-CB 3.4Å; L380-L383 PolarHBondContact O-N 2.89Å; L380-I384 HydrophobicContact CG-CD1 4.34Å; L380-I384 WeakPolarHBondContact O-CG1 3.21Å; L380-I384 PolarHBondContact O-N 3.31Å |
| 381 | G | 94.4 | Very high | 94.4 | Very high | 39 Ų | 39 | 69.9 Ų | 69.9 | 40% | 0.402 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M377 R378 E379 I384 F385 | M377-G381 PolarHBondContact O-N 3.31Å; R378-G381 PolarHBondContact O-N 3.05Å; E379-G381 VanDerWaalsContact C-N 3.34Å; G381-I384 PolarHBondContact O-N 2.64Å; G381-F385 VanDerWaalsContact O-CB 3.29Å; G381-F385 WeakPolarHBondContact O-CB 3.2Å; G381-F385 PolarHBondContact O-N 3.23Å |
| 382 | L | 92.9 | Very high | 94.8 | Very high | 82 Ų | 82 | 69.8 Ų | 69.8 | 43% | 0.429 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 174.9 | -71.1 | 174.3 | 0 | 0 | 0 | 112.2 | R378 E379 F385 F386 | R378-L382 WeakPolarHBondContact O-CG 3.5Å; R378-L382 PolarHBondContact O-N 3.22Å; E379-L382 PolarHBondContact O-N 3.28Å; L382-F385 PolarHBondContact O-N 3.42Å; L382-F386 HydrophobicContact CB-CE2 4.44Å; L382-F386 VanDerWaalsContact O-CD2 3.23Å; L382-F386 WeakPolarHBondContact O-CD2 3.36Å; L382-F386 PolarHBondContact O-N 3.3Å |
| 383 | L | 94 | Very high | 95.1 | Very high | 28 Ų | 28 | 74.3 Ų | 74.3 | 15% | 0.147 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.4 | -51.2 | 175.1 | 176.7 | 61.3 | 0 | 0 | 0 | 111.3 | E379 L380 F385 F386 L387 I454 P457 | E379-L383 PolarHBondContact O-N 3.06Å; L380-L383 HydrophobicContact CD1-CD2 4.44Å; L380-L383 WeakPolarHBondContact O-CB 3.4Å; L380-L383 PolarHBondContact O-N 2.89Å; L383-F385 VanDerWaalsContact C-N 3.28Å; L383-F385 PolarHBondContact O-N 3.02Å; L383-F386 PolarHBondContact O-N 2.81Å; L383-L387 VanDerWaalsContact O-CB 3.29Å; L383-L387 WeakPolarHBondContact O-CB 3.24Å; L383-L387 PolarHBondContact O-N 3.28Å; L383-I454 HydrophobicContact CD1-CG1 4.34Å; L383-P457 HydrophobicContact CB-CB 4.14Å; L383-P457 HydrophobicContact CB-CG 3.91Å; L383-P457 HydrophobicContact CD1-CG 4.06Å |
| 384 | I | 95.3 | Very high | 95.3 | Very high | 106 Ų | 106 | 72.3 Ų | 72.3 | 54% | 0.544 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 179.3 | -65.7 | 167.7 | 0 | 0 | 0 | 110.3 | L380 G381 L387 F388 | L380-I384 HydrophobicContact CG-CD1 4.34Å; L380-I384 WeakPolarHBondContact O-CG1 3.21Å; L380-I384 PolarHBondContact O-N 3.31Å; G381-I384 PolarHBondContact O-N 2.64Å; I384-L387 PolarHBondContact O-N 3.32Å; I384-F388 VanDerWaalsContact O-CB 3.28Å; I384-F388 WeakPolarHBondContact O-CB 3.41Å; I384-F388 PolarHBondContact O-N 2.91Å |
| 385 | F | 95.8 | Very high | 95.7 | Very high | 115 Ų | 115 | 64 Ų | 64 | 50% | 0.504 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.9 | -49.3 | 178.4 | 178.8 | -109.2 | 0 | 0 | 0 | 112.7 | G381 L382 L383 F388 I389 | G381-F385 VanDerWaalsContact O-CB 3.29Å; G381-F385 WeakPolarHBondContact O-CB 3.2Å; G381-F385 PolarHBondContact O-N 3.23Å; L382-F385 PolarHBondContact O-N 3.42Å; L383-F385 VanDerWaalsContact C-N 3.28Å; L383-F385 PolarHBondContact O-N 3.02Å; F385-F388 PolarHBondContact O-N 3.46Å; F385-I389 HydrophobicContact CD1-CD1 4Å; F385-I389 HydrophobicContact CD2-CD1 4.48Å; F385-I389 HydrophobicContact CE1-CD1 3.49Å; F385-I389 VanDerWaalsContact CE1-CD1 3.49Å; F385-I389 HydrophobicContact CE2-CD1 4.03Å; F385-I389 HydrophobicContact CG-CD1 4.48Å; F385-I389 HydrophobicContact CZ-CD1 3.52Å; F385-I389 HydrophobicContact CZ-CG1 4.49Å; F385-I389 WeakPolarHBondContact O-CG1 3.41Å; F385-I389 PolarHBondContact O-N 3.09Å |
| 386 | F | 95.4 | Very high | 96 | Very high | 96 Ų | 96 | 63 Ų | 63 | 42% | 0.421 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.9 | -37.7 | 177.4 | -70.7 | -50.1 | 0 | 0 | 0 | 112.5 | L382 L383 F388 I389 G390 T453 | L382-F386 HydrophobicContact CB-CE2 4.44Å; L382-F386 VanDerWaalsContact O-CD2 3.23Å; L382-F386 WeakPolarHBondContact O-CD2 3.36Å; L382-F386 PolarHBondContact O-N 3.3Å; L383-F386 PolarHBondContact O-N 2.81Å; F386-F388 VanDerWaalsContact C-N 3.33Å; F386-I389 PolarHBondContact O-N 3.34Å; F386-G390 PolarHBondContact O-N 3.02Å; F386-T453 HydrophobicContact CB-CG2 3.57Å |
| 387 | L | 95.9 | Very high | 96.2 | Very high | 41 Ų | 41 | 64.8 Ų | 64.8 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 174.7 | -167.4 | 149.2 | 0 | 0 | 0 | 110.8 | L383 I384 G390 V391 T425 | L383-L387 VanDerWaalsContact O-CB 3.29Å; L383-L387 WeakPolarHBondContact O-CB 3.24Å; L383-L387 PolarHBondContact O-N 3.28Å; I384-L387 PolarHBondContact O-N 3.32Å; L387-G390 PolarHBondContact O-N 2.66Å; L387-V391 HydrophobicContact CD2-CG2 3.82Å; L387-V391 WeakPolarHBondContact O-CB 3.38Å; L387-V391 VanDerWaalsContact O-CG2 3.24Å; L387-V391 WeakPolarHBondContact O-CG2 3.27Å; L387-V391 PolarHBondContact O-N 3.4Å; L387-T425 HydrophobicContact CD1-CG2 4.39Å |
| 388 | F | 97.5 | Very high | 96.4 | Very high | 122 Ų | 122 | 59.1 Ų | 59.1 | 54% | 0.535 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 176.8 | -177.3 | -108 | 0 | 0 | 0 | 112.7 | I384 F385 F386 V391 I392 | I384-F388 VanDerWaalsContact O-CB 3.28Å; I384-F388 WeakPolarHBondContact O-CB 3.41Å; I384-F388 PolarHBondContact O-N 2.91Å; F385-F388 PolarHBondContact O-N 3.46Å; F386-F388 VanDerWaalsContact C-N 3.33Å; F388-V391 PolarHBondContact O-N 3.05Å; F388-I392 HydrophobicContact CD1-CD1 4.01Å; F388-I392 HydrophobicContact CE1-CD1 3.46Å; F388-I392 VanDerWaalsContact CE1-CD1 3.46Å; F388-I392 HydrophobicContact CE2-CD1 4.05Å; F388-I392 HydrophobicContact CZ-CD1 3.49Å; F388-I392 VanDerWaalsContact CZ-CD1 3.49Å; F388-I392 HydrophobicContact CZ-CG1 4.46Å; F388-I392 PolarHBondContact O-N 2.93Å; F388-I392 VanDerWaalsContact O-N 3.1Å |
| 389 | I | 97.8 | Very high | 96.6 | Very high | 77 Ų | 77 | 53.5 Ų | 53.5 | 40% | 0.395 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 174.5 | -68.5 | 170.2 | 0 | 0 | 0 | 110.7 | F385 F386 V391 I392 L393 | F385-I389 HydrophobicContact CD1-CD1 4Å; F385-I389 HydrophobicContact CD2-CD1 4.48Å; F385-I389 HydrophobicContact CE1-CD1 3.49Å; F385-I389 VanDerWaalsContact CE1-CD1 3.49Å; F385-I389 HydrophobicContact CE2-CD1 4.03Å; F385-I389 HydrophobicContact CG-CD1 4.48Å; F385-I389 HydrophobicContact CZ-CD1 3.52Å; F385-I389 HydrophobicContact CZ-CG1 4.49Å; F385-I389 WeakPolarHBondContact O-CG1 3.41Å; F385-I389 PolarHBondContact O-N 3.09Å; F386-I389 PolarHBondContact O-N 3.34Å; I389-V391 PolarHBondContact O-N 3.13Å; I389-I392 PolarHBondContact O-N 3.33Å; I389-L393 WeakPolarHBondContact O-CB 3.47Å; I389-L393 PolarHBondContact O-N 3.27Å |
| 390 | G | 97.6 | Very high | 96.7 | Very high | 9 Ų | 9 | 59.1 Ų | 59.1 | 9% | 0.093 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F386 L387 I392 L393 F394 | F386-G390 PolarHBondContact O-N 3.02Å; L387-G390 PolarHBondContact O-N 2.66Å; G390-I392 PolarHBondContact O-N 2.96Å; G390-L393 PolarHBondContact O-N 2.86Å; G390-F394 WeakPolarHBondContact O-CB 3.31Å; G390-F394 WeakPolarHBondContact O-CD2 3.49Å; G390-F394 PolarHBondContact O-N 2.89Å |
| 391 | V | 98.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 58.5 Ų | 58.5 | 6% | 0.055 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.5 | -52 | 176.6 | 167.6 | 0 | 0 | 0 | 0 | 110.7 | L387 F388 I389 L393 S395 F417 A420 V421 M424 | L387-V391 HydrophobicContact CD2-CG2 3.82Å; L387-V391 WeakPolarHBondContact O-CB 3.38Å; L387-V391 VanDerWaalsContact O-CG2 3.24Å; L387-V391 WeakPolarHBondContact O-CG2 3.27Å; L387-V391 PolarHBondContact O-N 3.4Å; F388-V391 PolarHBondContact O-N 3.05Å; I389-V391 PolarHBondContact O-N 3.13Å; V391-L393 VanDerWaalsContact C-N 3.32Å; V391-L393 PolarHBondContact O-N 3.44Å; V391-S395 WeakPolarHBondContact O-CB 3.44Å; V391-S395 PolarHBondContact O-N 3.49Å; V391-S395 PolarHBondContact O-OG 2.67Å; V391-F417 HydrophobicContact CG1-CB 3.77Å; V391-F417 HydrophobicContact CG1-CD1 3.52Å; V391-F417 HydrophobicContact CG1-CE1 4.25Å; V391-F417 HydrophobicContact CG1-CG 3.74Å; V391-A420 HydrophobicContact CB-CB 4.48Å; V391-A420 HydrophobicContact CG1-CB 4.38Å; V391-A420 HydrophobicContact CG2-CB 4.36Å; V391-V421 HydrophobicContact CG1-CG2 4.33Å; V391-V421 HydrophobicContact CG2-CG2 3.51Å; V391-M424 HydrophobicContact CG2-SD 4.13Å |
| 392 | I | 98.4 | Very high | 97 | Very high | 68 Ų | 68 | 56.7 Ų | 56.7 | 35% | 0.349 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 179.4 | -67.5 | 172.6 | 0 | 0 | 0 | 111.2 | F388 I389 G390 S396 F417 | F388-I392 HydrophobicContact CD1-CD1 4.01Å; F388-I392 HydrophobicContact CE1-CD1 3.46Å; F388-I392 VanDerWaalsContact CE1-CD1 3.46Å; F388-I392 HydrophobicContact CE2-CD1 4.05Å; F388-I392 HydrophobicContact CZ-CD1 3.49Å; F388-I392 VanDerWaalsContact CZ-CD1 3.49Å; F388-I392 HydrophobicContact CZ-CG1 4.46Å; F388-I392 PolarHBondContact O-N 2.93Å; F388-I392 VanDerWaalsContact O-N 3.1Å; I389-I392 PolarHBondContact O-N 3.33Å; G390-I392 PolarHBondContact O-N 2.96Å; I392-S396 VanDerWaalsContact O-CB 3.32Å; I392-S396 WeakPolarHBondContact O-CB 3.37Å; I392-S396 PolarHBondContact O-N 3.39Å; I392-S396 VanDerWaalsContact O-N 3.08Å; I392-S396 PolarHBondContact O-OG 3.01Å; I392-F417 HydrophobicContact CG1-CE1 4.22Å; I392-F417 HydrophobicContact CG1-CZ 4.22Å |
| 393 | L | 98.5 | Very high | 96.9 | Very high | 96 Ų | 96 | 55.3 Ų | 55.3 | 50% | 0.503 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.9 | -51.8 | -175.8 | -177.5 | 146 | 0 | 0 | 0 | 112 | I389 G390 V391 S396 A397 | I389-L393 WeakPolarHBondContact O-CB 3.47Å; I389-L393 PolarHBondContact O-N 3.27Å; G390-L393 PolarHBondContact O-N 2.86Å; V391-L393 VanDerWaalsContact C-N 3.32Å; V391-L393 PolarHBondContact O-N 3.44Å; L393-S396 PolarHBondContact O-N 3.32Å; L393-A397 WeakPolarHBondContact O-CB 3.37Å; L393-A397 PolarHBondContact O-N 3.08Å |
| 394 | F | 98.4 | Very high | 96.8 | Very high | 26 Ų | 26 | 61.6 Ų | 61.6 | 11% | 0.114 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -74.5 | -34.4 | -175.7 | -69.9 | -63 | 0 | 0 | 0 | 112.5 | G390 A397 V398 W419 M424 V442 L445 C446 A449 | G390-F394 WeakPolarHBondContact O-CB 3.31Å; G390-F394 WeakPolarHBondContact O-CD2 3.49Å; G390-F394 PolarHBondContact O-N 2.89Å; F394-A397 PolarHBondContact O-N 3.3Å; F394-V398 WeakPolarHBondContact O-CB 3.3Å; F394-V398 WeakPolarHBondContact O-CG1 3.34Å; F394-V398 PolarHBondContact O-N 2.98Å; F394-W419 HydrophobicContact CB-CZ3 4.4Å; F394-M424 HydrophobicContact CD2-SD 4.23Å; F394-V442 HydrophobicContact CD1-CG1 4.16Å; F394-L445 HydrophobicContact CE1-CB 4.09Å; F394-C446 HydrophobicContact CB-CB 4.06Å; F394-C446 HydrophobicContact CD1-CB 3.69Å; F394-C446 HydrophobicContact CD2-CB 4.07Å; F394-C446 HydrophobicContact CE1-CB 4.13Å; F394-C446 HydrophobicContact CE2-CB 4.49Å; F394-C446 HydrophobicContact CG-CB 3.67Å; F394-A449 HydrophobicContact CE2-CB 3.54Å; F394-A449 HydrophobicContact CZ-CB 3.52Å |
| 395 | S | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 172.9 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | V391 V398 Y399 A416 F417 A420 | V391-S395 WeakPolarHBondContact O-CB 3.44Å; V391-S395 PolarHBondContact O-N 3.49Å; V391-S395 PolarHBondContact O-OG 2.67Å; S395-V398 WeakPolarHBondContact O-CG1 3.34Å; S395-Y399 VanDerWaalsContact O-CB 3.25Å; S395-Y399 WeakPolarHBondContact O-CB 3.17Å; S395-Y399 PolarHBondContact O-N 3.41Å; S395-Y399 VanDerWaalsContact O-N 3.09Å; S395-A416 PolarHBondContact OG-O 2.88Å; S395-F417 WeakPolarHBondContact OG-CA 3.09Å; S395-F417 WeakPolarHBondContact OG-CD1 3.37Å; S395-F417 PolarHBondContact OG-N 2.91Å; S395-A420 WeakPolarHBondContact OG-CB 3.32Å |
| 396 | S | 98.3 | Very high | 96 | Very high | 33 Ų | 33 | 60.7 Ų | 60.7 | 23% | 0.231 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.8 | -44.5 | 174.8 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | I392 L393 Y399 F400 | I392-S396 VanDerWaalsContact O-CB 3.32Å; I392-S396 WeakPolarHBondContact O-CB 3.37Å; I392-S396 PolarHBondContact O-N 3.39Å; I392-S396 VanDerWaalsContact O-N 3.08Å; I392-S396 PolarHBondContact O-OG 3.01Å; L393-S396 PolarHBondContact O-N 3.32Å; S396-Y399 PolarHBondContact O-N 3.24Å; S396-F400 WeakPolarHBondContact O-CD2 3.45Å; S396-F400 PolarHBondContact O-N 3.21Å |
| 397 | A | 98.2 | Very high | 95.6 | Very high | 38 Ų | 38 | 63.5 Ų | 63.5 | 31% | 0.314 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L393 F394 A401 V442 | L393-A397 WeakPolarHBondContact O-CB 3.37Å; L393-A397 PolarHBondContact O-N 3.08Å; F394-A397 PolarHBondContact O-N 3.3Å; A397-A401 VanDerWaalsContact O-CB 3.32Å; A397-A401 WeakPolarHBondContact O-CB 3.33Å; A397-A401 PolarHBondContact O-N 3.18Å; A397-V442 HydrophobicContact CB-CG1 3.81Å; A397-V442 HydrophobicContact CB-CG2 4.1Å |
| 398 | V | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.3 | -37.1 | 179.6 | 76.3 | 0 | 0 | 0 | 0 | 111.2 | F394 S395 F400 A401 E402 F410 A416 W419 P434 V442 | F394-V398 WeakPolarHBondContact O-CB 3.3Å; F394-V398 WeakPolarHBondContact O-CG1 3.34Å; F394-V398 PolarHBondContact O-N 2.98Å; S395-V398 WeakPolarHBondContact O-CG1 3.34Å; V398-F400 PolarHBondContact O-N 3.48Å; V398-A401 PolarHBondContact O-N 3.43Å; V398-E402 HydrophobicContact CG2-CG 4.05Å; V398-E402 WeakPolarHBondContact O-CB 3.36Å; V398-E402 VanDerWaalsContact O-CG 3.27Å; V398-E402 WeakPolarHBondContact O-CG 3.47Å; V398-E402 PolarHBondContact O-N 2.92Å; V398-F410 HydrophobicContact CG1-CD1 3.8Å; V398-F410 HydrophobicContact CG1-CE1 3.68Å; V398-F410 HydrophobicContact CG1-CG 4.42Å; V398-F410 HydrophobicContact CG1-CZ 4.24Å; V398-F410 HydrophobicContact CG2-CD1 4.47Å; V398-F410 HydrophobicContact CG2-CD2 4.34Å; V398-F410 HydrophobicContact CG2-CE1 4Å; V398-F410 HydrophobicContact CG2-CE2 3.87Å; V398-F410 HydrophobicContact CG2-CZ 3.67Å; V398-A416 HydrophobicContact CG1-CB 4.13Å; V398-W419 HydrophobicContact CB-CE3 4.27Å; V398-W419 HydrophobicContact CB-CH2 3.97Å; V398-W419 HydrophobicContact CB-CZ3 3.69Å; V398-W419 HydrophobicContact CG1-CD2 4.48Å; V398-W419 HydrophobicContact CG1-CE3 3.65Å; V398-W419 HydrophobicContact CG1-CH2 4.27Å; V398-W419 HydrophobicContact CG1-CZ3 3.53Å; V398-W419 HydrophobicContact CG2-CE3 4.49Å; V398-W419 HydrophobicContact CG2-CH2 3.96Å; V398-W419 HydrophobicContact CG2-CZ2 4.31Å; V398-W419 HydrophobicContact CG2-CZ3 4.07Å; V398-P434 HydrophobicContact CG2-CB 4.11Å; V398-V442 HydrophobicContact CB-CG1 4.05Å |
| 399 | Y | 97.8 | Very high | 94.9 | Very high | 66 Ų | 66 | 60.8 Ų | 60.8 | 26% | 0.259 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.4 | -51.3 | 176.6 | 172.7 | -101.1 | 0 | 0 | 0 | 110.9 | S395 S396 A401 E402 A403 F410 I413 | S395-Y399 VanDerWaalsContact O-CB 3.25Å; S395-Y399 WeakPolarHBondContact O-CB 3.17Å; S395-Y399 PolarHBondContact O-N 3.41Å; S395-Y399 VanDerWaalsContact O-N 3.09Å; S396-Y399 PolarHBondContact O-N 3.24Å; Y399-A401 VanDerWaalsContact C-N 3.31Å; Y399-A401 PolarHBondContact O-N 2.92Å; Y399-E402 CarbonylContact O-C 3.59Å; Y399-E402 PolarHBondContact O-N 3.35Å; Y399-A403 WeakPolarHBondContact O-CA 3.44Å; Y399-A403 WeakPolarHBondContact O-CB 3.26Å; Y399-A403 PolarHBondContact O-N 2.87Å; Y399-F410 WeakPolarHBondContact CD2-O 3.36Å; Y399-I413 HydrophobicContact CD1-CD1 4.18Å; Y399-I413 HydrophobicContact CD1-CG1 3.7Å; Y399-I413 HydrophobicContact CD2-CG1 4.44Å; Y399-I413 HydrophobicContact CE1-CG1 4.33Å; Y399-I413 HydrophobicContact CG-CG1 3.76Å |
| 400 | F | 97.1 | Very high | 94.8 | Very high | 141 Ų | 141 | 57.5 Ų | 57.5 | 62% | 0.618 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -68.9 | -28.6 | 178 | -72.2 | -62.3 | 0 | 0 | 0 | 113.4 | S396 V398 E402 | S396-F400 WeakPolarHBondContact O-CD2 3.45Å; S396-F400 PolarHBondContact O-N 3.21Å; V398-F400 PolarHBondContact O-N 3.48Å; F400-E402 VanDerWaalsContact C-N 3.3Å |
| 401 | A | 96.6 | Very high | 94.6 | Very high | 36 Ų | 36 | 61.6 Ų | 61.6 | 30% | 0.298 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -72.5 | -23.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A397 V398 Y399 T436 | A397-A401 VanDerWaalsContact O-CB 3.32Å; A397-A401 WeakPolarHBondContact O-CB 3.33Å; A397-A401 PolarHBondContact O-N 3.18Å; V398-A401 PolarHBondContact O-N 3.43Å; Y399-A401 VanDerWaalsContact C-N 3.31Å; Y399-A401 PolarHBondContact O-N 2.92Å; A401-T436 PolarHBondContact O-OG1 3.47Å |
| 402 | E | 95.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -112.5 | 2.8 | -176.7 | -58.6 | -80.3 | 133.1 | 0 | 0 | 112.8 | V398 Y399 F400 D404 E405 S408 F410 P434 V435 T436 G439 | V398-E402 HydrophobicContact CG2-CG 4.05Å; V398-E402 WeakPolarHBondContact O-CB 3.36Å; V398-E402 VanDerWaalsContact O-CG 3.27Å; V398-E402 WeakPolarHBondContact O-CG 3.47Å; V398-E402 PolarHBondContact O-N 2.92Å; Y399-E402 CarbonylContact O-C 3.59Å; Y399-E402 PolarHBondContact O-N 3.35Å; F400-E402 VanDerWaalsContact C-N 3.3Å; E402-D404 VanDerWaalsContact C-N 3.28Å; E402-D404 PolarHBondContact O-N 3.31Å; E402-E405 PolarHBondContact O-N 3.43Å; E402-S408 WeakPolarHBondContact CB-OG 3.43Å; E402-S408 WeakPolarHBondContact O-CB 3.32Å; E402-S408 PolarHBondContact O-OG 2.92Å; E402-F410 HydrophobicContact CB-CD2 3.86Å; E402-F410 HydrophobicContact CG-CD2 3.69Å; E402-F410 HydrophobicContact CG-CE2 3.95Å; E402-P434 HydrophobicContact CG-CB 4.24Å; E402-P434 WeakPolarHBondContact OE1-CB 3.41Å; E402-P434 WeakPolarHBondContact OE2-CA 3.35Å; E402-V435 PolarHBondContact OE1-N 3.48Å; E402-V435 WeakPolarHBondContact OE2-CG2 3.22Å; E402-V435 PolarHBondContact OE2-N 3.22Å; E402-T436 WeakPolarHBondContact OE1-CA 3.49Å; E402-T436 WeakPolarHBondContact OE1-CB 3.32Å; E402-T436 WeakPolarHBondContact OE1-CG2 3.46Å; E402-T436 PolarHBondContact OE1-N 2.93Å; E402-T436 PolarHBondContact OE1-OG1 3.15Å; E402-T436 PolarHBondContact OE2-N 3.28Å; E402-G439 WeakPolarHBondContact OE1-CA 3.46Å |
| 403 | A | 92.8 | Very high | 94.4 | Very high | 53 Ų | 53 | 62 Ų | 62 | 44% | 0.438 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -30.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y399 | Y399-A403 WeakPolarHBondContact O-CA 3.44Å; Y399-A403 WeakPolarHBondContact O-CB 3.26Å; Y399-A403 PolarHBondContact O-N 2.87Å |
| 404 | D | 89.9 | Confident | 94.4 | Very high | 161 Ų | 161 | 61.2 Ų | 61.2 | 86% | 0.861 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -2.8 | -177.8 | -63.6 | -39.1 | 0 | 0 | 0 | 113.1 | E402 | E402-D404 VanDerWaalsContact C-N 3.28Å; E402-D404 PolarHBondContact O-N 3.31Å |
| 405 | E | 91 | Very high | 94.2 | Very high | 78 Ų | 78 | 63.9 Ų | 63.9 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | trans | -97.6 | 117.1 | -176.6 | -171.2 | 64.5 | -130.7 | 0 | 0 | 111.3 | E402 E407 S408 V435 T436 | E402-E405 PolarHBondContact O-N 3.43Å; E405-E407 VanDerWaalsContact C-N 3.27Å; E405-E407 PolarHBondContact O-N 3.07Å; E405-S408 WeakPolarHBondContact O-CB 3.48Å; E405-S408 PolarHBondContact O-N 3.01Å; E405-V435 HydrophobicContact CB-CG2 4.45Å; E405-V435 HydrophobicContact CG-CG2 3.62Å; E405-T436 HydrophobicContact CB-CG2 4.01Å; E405-T436 HydrophobicContact CG-CG2 4.39Å | ||
| 406 | P | 84.4 | Confident | 94.2 | Very high | 123 Ų | 123 | 63.9 Ų | 63.9 | 80% | 0.799 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -22.2 | -175.9 | 24.6 | -33.8 | 0 | 0 | 0 | 114.3 | S408 | P406-S408 VanDerWaalsContact C-N 3.3Š|
| 407 | E | 86.6 | Confident | 94.2 | Very high | 156 Ų | 156 | 65.7 Ų | 65.7 | 73% | 0.729 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 10.8 | 174.1 | -61.5 | -165.1 | 169.7 | 0 | 0 | 113.1 | E405 | E405-E407 VanDerWaalsContact C-N 3.27Å; E405-E407 PolarHBondContact O-N 3.07Å |
| 408 | S | 90.1 | Very high | 94.2 | Very high | 26 Ų | 26 | 69.6 Ų | 69.6 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | trans | -64.8 | 136.6 | 179.6 | 178.7 | 0 | 0 | 0 | 0 | 112.2 | E402 E405 P406 F410 | E402-S408 WeakPolarHBondContact CB-OG 3.43Å; E402-S408 WeakPolarHBondContact O-CB 3.32Å; E402-S408 PolarHBondContact O-OG 2.92Å; E405-S408 WeakPolarHBondContact O-CB 3.48Å; E405-S408 PolarHBondContact O-N 3.01Å; P406-S408 VanDerWaalsContact C-N 3.3Å; S408-F410 VanDerWaalsContact C-N 3.27Å; S408-F410 PolarHBondContact OG-N 3.24Å | ||
| 409 | H | 89.5 | Confident | 94.2 | Very high | 80 Ų | 80 | 70.1 Ų | 70.1 | 37% | 0.37 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -81.1 | -6.7 | 171.2 | -66 | -72.7 | 0 | 0 | 0 | 112.7 | S411 M432 | H409-S411 PolarHBondContact O-N 3.22Å; H409-M432 HydrophobicContact CB-CB 4.42Å; H409-M432 HydrophobicContact CB-CG 4.36Å; H409-M432 VanDerWaalsContact O-CE 3.23Å; H409-M432 WeakPolarHBondContact O-CE 3.48Å |
| 410 | F | 94.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 67 Ų | 67 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | trans | -95.5 | 75.5 | -171.7 | -58.9 | -81.6 | 0 | 0 | 0 | 112.2 | V398 Y399 E402 S408 S412 A416 W419 M432 P434 | V398-F410 HydrophobicContact CG1-CD1 3.8Å; V398-F410 HydrophobicContact CG1-CE1 3.68Å; V398-F410 HydrophobicContact CG1-CG 4.42Å; V398-F410 HydrophobicContact CG1-CZ 4.24Å; V398-F410 HydrophobicContact CG2-CD1 4.47Å; V398-F410 HydrophobicContact CG2-CD2 4.34Å; V398-F410 HydrophobicContact CG2-CE1 4Å; V398-F410 HydrophobicContact CG2-CE2 3.87Å; V398-F410 HydrophobicContact CG2-CZ 3.67Å; Y399-F410 WeakPolarHBondContact CD2-O 3.36Å; E402-F410 HydrophobicContact CB-CD2 3.86Å; E402-F410 HydrophobicContact CG-CD2 3.69Å; E402-F410 HydrophobicContact CG-CE2 3.95Å; S408-F410 VanDerWaalsContact C-N 3.27Å; S408-F410 PolarHBondContact OG-N 3.24Å; F410-S412 PolarHBondContact O-N 3Å; F410-A416 HydrophobicContact CD1-CB 3.74Å; F410-A416 HydrophobicContact CE1-CB 4.37Å; F410-W419 HydrophobicContact CE1-CB 3.76Å; F410-W419 AromaticContact CE1-CD2 3.72Å; F410-W419 HydrophobicContact CE1-CD2 3.72Å; F410-W419 HydrophobicContact CE1-CE3 4.07Å; F410-W419 AromaticContact CE1-CG 3.56Å; F410-W419 HydrophobicContact CE1-CG 3.56Å; F410-W419 HydrophobicContact CZ-CB 4.47Å; F410-W419 AromaticContact CZ-CD2 3.94Å; F410-W419 HydrophobicContact CZ-CD2 3.94Å; F410-W419 AromaticContact CZ-CG 3.87Å; F410-W419 HydrophobicContact CZ-CG 3.87Å; F410-M432 HydrophobicContact CD1-CE 3.86Å; F410-M432 HydrophobicContact CE1-CE 4.13Å; F410-P434 HydrophobicContact CE2-CB 4.21Å | ||
| 411 | S | 93.3 | Very high | 94.3 | Very high | 95 Ų | 95 | 62.9 Ų | 62.9 | 66% | 0.664 | 35% | 0.35 | S | S | * | . | trans | -65.8 | -34.6 | -178.4 | -55.8 | 0 | 0 | 0 | 0 | 114 | H409 | H409-S411 PolarHBondContact O-N 3.22Š| ||
| 412 | S | 95.9 | Very high | 94.3 | Very high | 36 Ų | 36 | 61.5 Ų | 61.5 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -152.8 | 162.4 | 179.8 | 74.9 | 0 | 0 | 0 | 0 | 111.6 | F410 D415 A416 | F410-S412 PolarHBondContact O-N 3Å; S412-D415 WeakPolarHBondContact CB-OD2 3.23Å; S412-D415 PolarHBondContact N-OD2 3.13Å; S412-D415 PolarHBondContact O-N 3.42Å; S412-D415 PolarHBondContact OG-N 3.18Å; S412-D415 PolarHBondContact OG-OD2 3.17Å; S412-A416 PolarHBondContact O-N 3.05Å |
| 413 | I | 97.3 | Very high | 94.4 | Very high | 49 Ų | 49 | 62.7 Ų | 62.7 | 25% | 0.251 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 176.3 | -61.6 | 171.6 | 0 | 0 | 0 | 111.6 | Y399 D415 A416 F417 | Y399-I413 HydrophobicContact CD1-CD1 4.18Å; Y399-I413 HydrophobicContact CD1-CG1 3.7Å; Y399-I413 HydrophobicContact CD2-CG1 4.44Å; Y399-I413 HydrophobicContact CE1-CG1 4.33Å; Y399-I413 HydrophobicContact CG-CG1 3.76Å; I413-D415 VanDerWaalsContact C-N 3.35Å; I413-D415 PolarHBondContact O-N 3.12Å; I413-A416 CarbonylContact O-C 3.57Å; I413-A416 WeakPolarHBondContact O-CA 3.27Å; I413-A416 WeakPolarHBondContact O-CB 3.2Å; I413-A416 PolarHBondContact O-N 2.69Å; I413-A416 VanDerWaalsContact O-N 3.14Å; I413-F417 HydrophobicContact CG2-CD1 4.5Å; I413-F417 HydrophobicContact CG2-CE1 3.78Å; I413-F417 HydrophobicContact CG2-CZ 4.3Å; I413-F417 WeakPolarHBondContact O-CD1 3.23Å; I413-F417 PolarHBondContact O-N 2.63Å; I413-F417 VanDerWaalsContact O-N 3.16Å |
| 414 | P | 97.6 | Very high | 94.7 | Very high | 81 Ų | 81 | 60.2 Ų | 60.2 | 53% | 0.526 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.9 | -38 | 174 | -26.7 | 36.7 | 0 | 0 | 0 | 114.1 | A416 F417 | P414-A416 VanDerWaalsContact C-N 3.27Å; P414-A416 PolarHBondContact O-N 2.82Å; P414-F417 HydrophobicContact CB-CD2 4.38Å; P414-F417 HydrophobicContact CB-CE2 4.43Å; P414-F417 VanDerWaalsContact O-CB 3.22Å; P414-F417 WeakPolarHBondContact O-CB 3.17Å; P414-F417 PolarHBondContact O-N 3.12Å |
| 415 | D | 95.8 | Very high | 95 | Very high | 81 Ų | 81 | 54.7 Ų | 54.7 | 43% | 0.433 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.5 | -37.3 | 174.5 | -61 | -36.3 | 0 | 0 | 0 | 110.6 | S412 I413 F417 W418 | S412-D415 WeakPolarHBondContact CB-OD2 3.23Å; S412-D415 PolarHBondContact N-OD2 3.13Å; S412-D415 PolarHBondContact O-N 3.42Å; S412-D415 PolarHBondContact OG-N 3.18Å; S412-D415 PolarHBondContact OG-OD2 3.17Å; I413-D415 VanDerWaalsContact C-N 3.35Å; I413-D415 PolarHBondContact O-N 3.12Å; D415-F417 PolarHBondContact O-N 3.33Å; D415-W418 PolarHBondContact O-N 3.37Å |
| 416 | A | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.1 | -14.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S395 V398 F410 S412 I413 P414 W418 W419 A420 | S395-A416 PolarHBondContact OG-O 2.88Å; V398-A416 HydrophobicContact CG1-CB 4.13Å; F410-A416 HydrophobicContact CD1-CB 3.74Å; F410-A416 HydrophobicContact CE1-CB 4.37Å; S412-A416 PolarHBondContact O-N 3.05Å; I413-A416 CarbonylContact O-C 3.57Å; I413-A416 WeakPolarHBondContact O-CA 3.27Å; I413-A416 WeakPolarHBondContact O-CB 3.2Å; I413-A416 PolarHBondContact O-N 2.69Å; I413-A416 VanDerWaalsContact O-N 3.14Å; P414-A416 VanDerWaalsContact C-N 3.27Å; P414-A416 PolarHBondContact O-N 2.82Å; A416-W418 VanDerWaalsContact C-N 3.29Å; A416-W418 PolarHBondContact O-N 3.39Å; A416-W419 PolarHBondContact O-N 3.4Å; A416-A420 PolarHBondContact O-N 3.49Å |
| 417 | F | 98.3 | Very high | 95.9 | Very high | 72 Ų | 72 | 53.3 Ų | 53.3 | 32% | 0.316 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 172.7 | -66.9 | -17.4 | 0 | 0 | 0 | 111.3 | V391 I392 S395 I413 P414 D415 W419 A420 V421 | V391-F417 HydrophobicContact CG1-CB 3.77Å; V391-F417 HydrophobicContact CG1-CD1 3.52Å; V391-F417 HydrophobicContact CG1-CE1 4.25Å; V391-F417 HydrophobicContact CG1-CG 3.74Å; I392-F417 HydrophobicContact CG1-CE1 4.22Å; I392-F417 HydrophobicContact CG1-CZ 4.22Å; S395-F417 WeakPolarHBondContact OG-CA 3.09Å; S395-F417 WeakPolarHBondContact OG-CD1 3.37Å; S395-F417 PolarHBondContact OG-N 2.91Å; I413-F417 HydrophobicContact CG2-CD1 4.5Å; I413-F417 HydrophobicContact CG2-CE1 3.78Å; I413-F417 HydrophobicContact CG2-CZ 4.3Å; I413-F417 WeakPolarHBondContact O-CD1 3.23Å; I413-F417 PolarHBondContact O-N 2.63Å; I413-F417 VanDerWaalsContact O-N 3.16Å; P414-F417 HydrophobicContact CB-CD2 4.38Å; P414-F417 HydrophobicContact CB-CE2 4.43Å; P414-F417 VanDerWaalsContact O-CB 3.22Å; P414-F417 WeakPolarHBondContact O-CB 3.17Å; P414-F417 PolarHBondContact O-N 3.12Å; D415-F417 PolarHBondContact O-N 3.33Å; F417-W419 PolarHBondContact O-N 3.45Å; F417-A420 PolarHBondContact O-N 3.25Å; F417-V421 WeakPolarHBondContact O-CG2 3.41Å; F417-V421 PolarHBondContact O-N 3.19Å |
| 418 | W | 98.1 | Very high | 96.4 | Very high | 119 Ų | 119 | 48.3 Ų | 48.3 | 45% | 0.451 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.9 | -50.7 | 176.5 | 170.4 | -115.5 | 0 | 0 | 0 | 111.1 | D415 A416 A420 V421 V422 Y429 D431 M432 | D415-W418 PolarHBondContact O-N 3.37Å; A416-W418 VanDerWaalsContact C-N 3.29Å; A416-W418 PolarHBondContact O-N 3.39Å; W418-A420 PolarHBondContact O-N 2.87Å; W418-V421 PolarHBondContact O-N 3.48Å; W418-V422 HydrophobicContact CD2-CG2 3.86Å; W418-V422 HydrophobicContact CE3-CG2 3.95Å; W418-V422 HydrophobicContact CH2-CG2 3.87Å; W418-V422 HydrophobicContact CZ2-CG2 3.76Å; W418-V422 HydrophobicContact CZ3-CG2 3.95Å; W418-V422 WeakPolarHBondContact O-CB 3.3Å; W418-V422 VanDerWaalsContact O-CG2 3.25Å; W418-V422 WeakPolarHBondContact O-CG2 3.45Å; W418-V422 PolarHBondContact O-N 3.11Å; W418-Y429 HydrophobicContact CH2-CD2 4.01Å; W418-Y429 AromaticContact CH2-CE2 3.58Å; W418-Y429 HydrophobicContact CH2-CE2 3.58Å; W418-Y429 AromaticContact CZ2-CD2 3.54Å; W418-Y429 HydrophobicContact CZ2-CD2 3.54Å; W418-Y429 AromaticContact CZ2-CE2 3.62Å; W418-Y429 HydrophobicContact CZ2-CE2 3.62Å; W418-D431 PolarHBondContact NE1-OD2 2.96Å; W418-M432 HydrophobicContact CB-SD 4.48Å; W418-M432 HydrophobicContact CG-SD 4.47Å |
| 419 | W | 98.1 | Very high | 96.7 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 5% | 0.045 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 176.2 | 170.7 | 80.2 | 0 | 0 | 0 | 112.6 | F394 V398 F410 A416 F417 V422 T423 M432 P434 V442 C446 | F394-W419 HydrophobicContact CB-CZ3 4.4Å; V398-W419 HydrophobicContact CB-CE3 4.27Å; V398-W419 HydrophobicContact CB-CH2 3.97Å; V398-W419 HydrophobicContact CB-CZ3 3.69Å; V398-W419 HydrophobicContact CG1-CD2 4.48Å; V398-W419 HydrophobicContact CG1-CE3 3.65Å; V398-W419 HydrophobicContact CG1-CH2 4.27Å; V398-W419 HydrophobicContact CG1-CZ3 3.53Å; V398-W419 HydrophobicContact CG2-CE3 4.49Å; V398-W419 HydrophobicContact CG2-CH2 3.96Å; V398-W419 HydrophobicContact CG2-CZ2 4.31Å; V398-W419 HydrophobicContact CG2-CZ3 4.07Å; F410-W419 HydrophobicContact CE1-CB 3.76Å; F410-W419 AromaticContact CE1-CD2 3.72Å; F410-W419 HydrophobicContact CE1-CD2 3.72Å; F410-W419 HydrophobicContact CE1-CE3 4.07Å; F410-W419 AromaticContact CE1-CG 3.56Å; F410-W419 HydrophobicContact CE1-CG 3.56Å; F410-W419 HydrophobicContact CZ-CB 4.47Å; F410-W419 AromaticContact CZ-CD2 3.94Å; F410-W419 HydrophobicContact CZ-CD2 3.94Å; F410-W419 AromaticContact CZ-CG 3.87Å; F410-W419 HydrophobicContact CZ-CG 3.87Å; A416-W419 PolarHBondContact O-N 3.4Å; F417-W419 PolarHBondContact O-N 3.45Å; W419-V422 PolarHBondContact O-N 3.23Å; W419-T423 HydrophobicContact CZ2-CG2 4.42Å; W419-T423 PolarHBondContact NE1-OG1 2.88Å; W419-T423 VanDerWaalsContact O-CB 3.23Å; W419-T423 WeakPolarHBondContact O-CB 3.43Å; W419-T423 PolarHBondContact O-N 3.14Å; W419-T423 PolarHBondContact O-OG1 3.35Å; W419-M432 HydrophobicContact CB-CB 4.06Å; W419-M432 HydrophobicContact CB-CE 4.49Å; W419-M432 HydrophobicContact CB-SD 4.18Å; W419-M432 VanDerWaalsContact CD1-O 3.28Å; W419-M432 HydrophobicContact CG-CB 4.43Å; W419-P434 HydrophobicContact CZ2-CG 4.34Å; W419-V442 HydrophobicContact CH2-CG1 4.35Å; W419-C446 HydrophobicContact CH2-CB 4.16Å |
| 420 | A | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67 | -43.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | V391 S395 A416 F417 W418 V422 T423 M424 | V391-A420 HydrophobicContact CB-CB 4.48Å; V391-A420 HydrophobicContact CG1-CB 4.38Å; V391-A420 HydrophobicContact CG2-CB 4.36Å; S395-A420 WeakPolarHBondContact OG-CB 3.32Å; A416-A420 PolarHBondContact O-N 3.49Å; F417-A420 PolarHBondContact O-N 3.25Å; W418-A420 PolarHBondContact O-N 2.87Å; A420-V422 PolarHBondContact O-N 3.04Å; A420-T423 PolarHBondContact O-N 2.67Å; A420-M424 VanDerWaalsContact O-CB 3.27Å; A420-M424 WeakPolarHBondContact O-CB 3.48Å; A420-M424 VanDerWaalsContact O-CG 3.24Å; A420-M424 WeakPolarHBondContact O-CG 3.47Å; A420-M424 PolarHBondContact O-N 3.29Å |
| 421 | V | 98.1 | Very high | 96.9 | Very high | 54 Ų | 54 | 55.9 Ų | 55.9 | 33% | 0.327 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.5 | -49 | 175.3 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | V391 F417 W418 T423 T425 | V391-V421 HydrophobicContact CG1-CG2 4.33Å; V391-V421 HydrophobicContact CG2-CG2 3.51Å; F417-V421 WeakPolarHBondContact O-CG2 3.41Å; F417-V421 PolarHBondContact O-N 3.19Å; W418-V421 PolarHBondContact O-N 3.48Å; V421-T423 VanDerWaalsContact C-N 3.32Å; V421-T423 PolarHBondContact O-N 3.48Å; V421-T425 WeakPolarHBondContact O-CB 3.49Å; V421-T425 WeakPolarHBondContact O-CG2 3.33Å; V421-T425 PolarHBondContact O-N 2.89Å; V421-T425 PolarHBondContact O-OG1 3.4Å |
| 422 | V | 98.1 | Very high | 97 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 5% | 0.048 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.6 | -36.3 | -179.5 | 168.9 | 0 | 0 | 0 | 0 | 112 | W418 W419 A420 T425 T426 V427 G428 Y429 | W418-V422 HydrophobicContact CD2-CG2 3.86Å; W418-V422 HydrophobicContact CE3-CG2 3.95Å; W418-V422 HydrophobicContact CH2-CG2 3.87Å; W418-V422 HydrophobicContact CZ2-CG2 3.76Å; W418-V422 HydrophobicContact CZ3-CG2 3.95Å; W418-V422 WeakPolarHBondContact O-CB 3.3Å; W418-V422 VanDerWaalsContact O-CG2 3.25Å; W418-V422 WeakPolarHBondContact O-CG2 3.45Å; W418-V422 PolarHBondContact O-N 3.11Å; W419-V422 PolarHBondContact O-N 3.23Å; A420-V422 PolarHBondContact O-N 3.04Å; V422-T425 PolarHBondContact O-OG1 3.42Å; V422-T426 PolarHBondContact O-N 2.98Å; V422-V427 HydrophobicContact CG1-CB 4.13Å; V422-V427 HydrophobicContact CG1-CG1 4.36Å; V422-V427 PolarHBondContact O-N 3.35Å; V422-G428 VanDerWaalsContact CG1-N 3.27Å; V422-G428 PolarHBondContact O-N 3.44Å; V422-Y429 HydrophobicContact CB-CD2 4.48Å; V422-Y429 HydrophobicContact CG1-CD2 3.76Å; V422-Y429 HydrophobicContact CG1-CE2 4.44Å; V422-Y429 HydrophobicContact CG1-CG 4.38Å; V422-Y429 HydrophobicContact CG2-CD2 3.79Å; V422-Y429 HydrophobicContact CG2-CE2 3.97Å |
| 423 | T | 97.9 | Very high | 97 | Very high | 25 Ų | 25 | 57.7 Ų | 57.7 | 15% | 0.153 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -76.6 | -45.9 | 179 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | W419 A420 V421 T425 T426 C446 A447 | W419-T423 HydrophobicContact CZ2-CG2 4.42Å; W419-T423 PolarHBondContact NE1-OG1 2.88Å; W419-T423 VanDerWaalsContact O-CB 3.23Å; W419-T423 WeakPolarHBondContact O-CB 3.43Å; W419-T423 PolarHBondContact O-N 3.14Å; W419-T423 PolarHBondContact O-OG1 3.35Å; A420-T423 PolarHBondContact O-N 2.67Å; V421-T423 VanDerWaalsContact C-N 3.32Å; V421-T423 PolarHBondContact O-N 3.48Å; T423-T425 VanDerWaalsContact C-N 3.29Å; T423-T425 PolarHBondContact O-N 3.18Å; T423-T426 PolarHBondContact O-N 3.38Å; T423-C446 HydrophobicContact CG2-CB 4.25Å; T423-A447 HydrophobicContact CG2-CB 4.19Å |
| 424 | M | 97.4 | Very high | 96.9 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65 | -34.3 | 179.7 | -73.3 | -176.3 | 70.9 | 0 | 0 | 112.3 | V391 F394 A420 T426 C446 G450 | V391-M424 HydrophobicContact CG2-SD 4.13Å; F394-M424 HydrophobicContact CD2-SD 4.23Å; A420-M424 VanDerWaalsContact O-CB 3.27Å; A420-M424 WeakPolarHBondContact O-CB 3.48Å; A420-M424 VanDerWaalsContact O-CG 3.24Å; A420-M424 WeakPolarHBondContact O-CG 3.47Å; A420-M424 PolarHBondContact O-N 3.29Å; M424-T426 PolarHBondContact O-N 2.89Å; M424-C446 VanDerWaalsContact CG-SG 3.58Å; M424-G450 CarbonylContact O-C 3.34Å; M424-G450 VanDerWaalsContact O-CA 3.26Å; M424-G450 WeakPolarHBondContact O-CA 3.46Å |
| 425 | T | 97.1 | Very high | 96.8 | Very high | 45 Ų | 45 | 54.8 Ų | 54.8 | 28% | 0.276 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 2.5 | 174.6 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | L387 V421 V422 T423 V427 I454 | L387-T425 HydrophobicContact CD1-CG2 4.39Å; V421-T425 WeakPolarHBondContact O-CB 3.49Å; V421-T425 WeakPolarHBondContact O-CG2 3.33Å; V421-T425 PolarHBondContact O-N 2.89Å; V421-T425 PolarHBondContact O-OG1 3.4Å; V422-T425 PolarHBondContact O-OG1 3.42Å; T423-T425 VanDerWaalsContact C-N 3.29Å; T423-T425 PolarHBondContact O-N 3.18Å; T425-V427 PolarHBondContact O-N 3.15Å; T425-V427 WeakPolarHBondContact OG1-CG2 3.31Å; T425-I454 HydrophobicContact CG2-CD1 4.2Å |
| 426 | T | 97.2 | Very high | 96.9 | Very high | 97 Ų | 97 | 52.3 Ų | 52.3 | 60% | 0.595 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 19.9 | 179.5 | 69.4 | 0 | 0 | 0 | 0 | 114.9 | V422 T423 M424 V451 | V422-T426 PolarHBondContact O-N 2.98Å; T423-T426 PolarHBondContact O-N 3.38Å; M424-T426 PolarHBondContact O-N 2.89Å; T426-V451 HydrophobicContact CG2-CG2 3.58Å |
| 427 | V | 97.8 | Very high | 96.8 | Very high | 75 Ų | 75 | 57.6 Ų | 57.6 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | trans | -71.9 | -49.8 | 177.6 | 175 | 0 | 0 | 0 | 0 | 110.9 | V422 T425 Y429 | V422-V427 HydrophobicContact CG1-CB 4.13Å; V422-V427 HydrophobicContact CG1-CG1 4.36Å; V422-V427 PolarHBondContact O-N 3.35Å; T425-V427 PolarHBondContact O-N 3.15Å; T425-V427 WeakPolarHBondContact OG1-CG2 3.31Å; V427-Y429 HydrophobicContact CG1-CD1 4.04Å; V427-Y429 HydrophobicContact CG1-CD2 3.96Å; V427-Y429 HydrophobicContact CG1-CE1 3.68Å; V427-Y429 HydrophobicContact CG1-CE2 3.58Å; V427-Y429 HydrophobicContact CG1-CG 4.17Å; V427-Y429 VanDerWaalsContact CG1-CZ 3.43Å | ||
| 428 | G | 96.3 | Very high | 96.7 | Very high | 51 Ų | 51 | 55.8 Ų | 55.8 | 53% | 0.526 | 31% | 0.314 | S | S | . | . | trans | 58.7 | 54.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | V422 G430 | V422-G428 VanDerWaalsContact CG1-N 3.27Å; V422-G428 PolarHBondContact O-N 3.44Å; G428-G430 PolarHBondContact O-N 3.23Å | ||
| 429 | Y | 96.4 | Very high | 96.6 | Very high | 155 Ų | 155 | 50.1 Ų | 50.1 | 61% | 0.608 | 29% | 0.293 | S | S | * | . | trans | -56.3 | -31.3 | 178.8 | -67.2 | -60.5 | 0 | 0 | 0 | 114.4 | W418 V422 V427 D431 | W418-Y429 HydrophobicContact CH2-CD2 4.01Å; W418-Y429 AromaticContact CH2-CE2 3.58Å; W418-Y429 HydrophobicContact CH2-CE2 3.58Å; W418-Y429 AromaticContact CZ2-CD2 3.54Å; W418-Y429 HydrophobicContact CZ2-CD2 3.54Å; W418-Y429 AromaticContact CZ2-CE2 3.62Å; W418-Y429 HydrophobicContact CZ2-CE2 3.62Å; V422-Y429 HydrophobicContact CB-CD2 4.48Å; V422-Y429 HydrophobicContact CG1-CD2 3.76Å; V422-Y429 HydrophobicContact CG1-CE2 4.44Å; V422-Y429 HydrophobicContact CG1-CG 4.38Å; V422-Y429 HydrophobicContact CG2-CD2 3.79Å; V422-Y429 HydrophobicContact CG2-CE2 3.97Å; V427-Y429 HydrophobicContact CG1-CD1 4.04Å; V427-Y429 HydrophobicContact CG1-CD2 3.96Å; V427-Y429 HydrophobicContact CG1-CE1 3.68Å; V427-Y429 HydrophobicContact CG1-CE2 3.58Å; V427-Y429 HydrophobicContact CG1-CG 4.17Å; V427-Y429 VanDerWaalsContact CG1-CZ 3.43Å; Y429-D431 VanDerWaalsContact C-N 3.33Å; Y429-D431 WeakPolarHBondContact CB-OD1 3.43Å | ||
| 430 | G | 94.2 | Very high | 96.6 | Very high | 38 Ų | 38 | 54.9 Ų | 54.9 | 39% | 0.392 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 83.2 | 4.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | G428 R433 | G428-G430 PolarHBondContact O-N 3.23Å; G430-R433 PolarHBondContact O-NH1 3.16Å |
| 431 | D | 95.2 | Very high | 96.6 | Very high | 79 Ų | 79 | 59.6 Ų | 59.6 | 42% | 0.422 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -66.7 | -35.3 | 172.4 | 61.4 | -38.8 | 0 | 0 | 0 | 112.5 | W418 Y429 | W418-D431 PolarHBondContact NE1-OD2 2.96Å; Y429-D431 VanDerWaalsContact C-N 3.33Å; Y429-D431 WeakPolarHBondContact CB-OD1 3.43Å |
| 432 | M | 95.2 | Very high | 96.6 | Very high | 27 Ų | 27 | 58.1 Ų | 58.1 | 13% | 0.133 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -119 | 133 | 167.5 | -62.6 | -179.4 | 79.4 | 0 | 0 | 110 | H409 F410 W418 W419 | H409-M432 HydrophobicContact CB-CB 4.42Å; H409-M432 HydrophobicContact CB-CG 4.36Å; H409-M432 VanDerWaalsContact O-CE 3.23Å; H409-M432 WeakPolarHBondContact O-CE 3.48Å; F410-M432 HydrophobicContact CD1-CE 3.86Å; F410-M432 HydrophobicContact CE1-CE 4.13Å; W418-M432 HydrophobicContact CB-SD 4.48Å; W418-M432 HydrophobicContact CG-SD 4.47Å; W419-M432 HydrophobicContact CB-CB 4.06Å; W419-M432 HydrophobicContact CB-CE 4.49Å; W419-M432 HydrophobicContact CB-SD 4.18Å; W419-M432 VanDerWaalsContact CD1-O 3.28Å; W419-M432 HydrophobicContact CG-CB 4.43Å |
| 433 | R | 95.3 | Very high | 96.6 | Very high | 141 Ų | 141 | 58.3 Ų | 58.3 | 53% | 0.532 | 33% | 0.333 | S | S | . | . | trans | -153.2 | 143.2 | 177.4 | 63.2 | -173.2 | -177.7 | -90.4 | -6.7 | 111.6 | G430 | G430-R433 PolarHBondContact O-NH1 3.16Š| ||
| 434 | P | 96.1 | Very high | 96.6 | Very high | 21 Ų | 21 | 60.6 Ų | 60.6 | 14% | 0.136 | 35% | 0.35 | C | S | . | . | trans | -70.5 | 135.3 | 172.5 | 28.5 | -32.7 | 0 | 0 | 0 | 111.3 | V398 E402 F410 W419 G439 K440 | V398-P434 HydrophobicContact CG2-CB 4.11Å; E402-P434 HydrophobicContact CG-CB 4.24Å; E402-P434 WeakPolarHBondContact OE1-CB 3.41Å; E402-P434 WeakPolarHBondContact OE2-CA 3.35Å; F410-P434 HydrophobicContact CE2-CB 4.21Å; W419-P434 HydrophobicContact CZ2-CG 4.34Å; P434-G439 WeakPolarHBondContact CG-O 3.42Å; P434-K440 HydrophobicContact CG-CG 4.48Å | ||
| 435 | V | 94.9 | Very high | 96.6 | Very high | 49 Ų | 49 | 65.2 Ų | 65.2 | 30% | 0.297 | 37% | 0.374 | S | S | . | . | trans | -100.8 | -31.8 | 178 | -67.3 | 0 | 0 | 0 | 0 | 111.4 | E402 E405 K440 | E402-V435 PolarHBondContact OE1-N 3.48Å; E402-V435 WeakPolarHBondContact OE2-CG2 3.22Å; E402-V435 PolarHBondContact OE2-N 3.22Å; E405-V435 HydrophobicContact CB-CG2 4.45Å; E405-V435 HydrophobicContact CG-CG2 3.62Å; V435-K440 WeakPolarHBondContact O-CE 3.37Å; V435-K440 PolarHBondContact O-NZ 3.37Å | ||
| 436 | T | 96.4 | Very high | 96.7 | Very high | 29 Ų | 29 | 63.1 Ų | 63.1 | 18% | 0.178 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -72.4 | 160.3 | 179.2 | 79.4 | 0 | 0 | 0 | 0 | 111.6 | A401 E402 E405 G438 G439 K440 | A401-T436 PolarHBondContact O-OG1 3.47Å; E402-T436 WeakPolarHBondContact OE1-CA 3.49Å; E402-T436 WeakPolarHBondContact OE1-CB 3.32Å; E402-T436 WeakPolarHBondContact OE1-CG2 3.46Å; E402-T436 PolarHBondContact OE1-N 2.93Å; E402-T436 PolarHBondContact OE1-OG1 3.15Å; E402-T436 PolarHBondContact OE2-N 3.28Å; E405-T436 HydrophobicContact CB-CG2 4.01Å; E405-T436 HydrophobicContact CG-CG2 4.39Å; T436-G438 VanDerWaalsContact C-N 3.31Å; T436-G438 PolarHBondContact OG1-N 3.44Å; T436-G439 PolarHBondContact OG1-N 2.94Å; T436-K440 WeakPolarHBondContact O-CD 3.21Å; T436-K440 VanDerWaalsContact O-CG 3.27Å; T436-K440 WeakPolarHBondContact O-CG 3.33Å; T436-K440 PolarHBondContact O-N 3.35Å; T436-K440 VanDerWaalsContact O-N 3.09Å |
| 437 | V | 96.1 | Very high | 96.7 | Very high | 110 Ų | 110 | 60.1 Ų | 60.1 | 67% | 0.667 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.7 | -39.3 | 174.7 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | K440 I441 | V437-K440 PolarHBondContact O-N 3.23Å; V437-I441 HydrophobicContact CG1-CD1 4.33Å; V437-I441 WeakPolarHBondContact O-CG1 3.36Å; V437-I441 PolarHBondContact O-N 3.49Å; V437-I441 VanDerWaalsContact O-N 3.1Å |
| 438 | G | 96.7 | Very high | 96.7 | Very high | 34 Ų | 34 | 61.5 Ų | 61.5 | 35% | 0.351 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.2 | -49 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T436 K440 I441 V442 | T436-G438 VanDerWaalsContact C-N 3.31Å; T436-G438 PolarHBondContact OG1-N 3.44Å; G438-K440 VanDerWaalsContact C-N 3.3Å; G438-K440 PolarHBondContact O-N 2.99Å; G438-I441 PolarHBondContact O-N 2.93Å; G438-I441 VanDerWaalsContact O-N 3.16Å; G438-V442 WeakPolarHBondContact O-CG2 3.48Å; G438-V442 PolarHBondContact O-N 2.7Å |
| 439 | G | 96.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.8 | -34.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E402 P434 T436 V442 G443 | E402-G439 WeakPolarHBondContact OE1-CA 3.46Å; P434-G439 WeakPolarHBondContact CG-O 3.42Å; T436-G439 PolarHBondContact OG1-N 2.94Å; G439-V442 PolarHBondContact O-N 3.5Å; G439-G443 PolarHBondContact O-N 3.13Å |
| 440 | K | 97.4 | Very high | 96.9 | Very high | 112 Ų | 112 | 52.9 Ų | 52.9 | 49% | 0.487 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 173.9 | -74.9 | 166.1 | 179.5 | 154.3 | 0 | 113 | P434 V435 T436 V437 G438 G443 S444 | P434-K440 HydrophobicContact CG-CG 4.48Å; V435-K440 WeakPolarHBondContact O-CE 3.37Å; V435-K440 PolarHBondContact O-NZ 3.37Å; T436-K440 WeakPolarHBondContact O-CD 3.21Å; T436-K440 VanDerWaalsContact O-CG 3.27Å; T436-K440 WeakPolarHBondContact O-CG 3.33Å; T436-K440 PolarHBondContact O-N 3.35Å; T436-K440 VanDerWaalsContact O-N 3.09Å; V437-K440 PolarHBondContact O-N 3.23Å; G438-K440 VanDerWaalsContact C-N 3.3Å; G438-K440 PolarHBondContact O-N 2.99Å; K440-G443 PolarHBondContact O-N 3.43Å; K440-S444 WeakPolarHBondContact O-CB 3.49Å; K440-S444 PolarHBondContact O-N 3.32Å; K440-S444 PolarHBondContact O-OG 3.25Å |
| 441 | I | 98.2 | Very high | 97 | Very high | 100 Ų | 100 | 54.8 Ų | 54.8 | 51% | 0.513 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.1 | -47.1 | 173.7 | -66.5 | 166.9 | 0 | 0 | 0 | 109.7 | V437 G438 G443 S444 L445 | V437-I441 HydrophobicContact CG1-CD1 4.33Å; V437-I441 WeakPolarHBondContact O-CG1 3.36Å; V437-I441 PolarHBondContact O-N 3.49Å; V437-I441 VanDerWaalsContact O-N 3.1Å; G438-I441 PolarHBondContact O-N 2.93Å; G438-I441 VanDerWaalsContact O-N 3.16Å; I441-G443 VanDerWaalsContact C-N 3.33Å; I441-G443 PolarHBondContact O-N 2.69Å; I441-S444 WeakPolarHBondContact O-CB 3.27Å; I441-S444 PolarHBondContact O-N 3.18Å; I441-L445 HydrophobicContact CG2-CD1 4.26Å; I441-L445 WeakPolarHBondContact O-CG 3.22Å; I441-L445 PolarHBondContact O-N 2.86Å |
| 442 | V | 98.2 | Very high | 97 | Very high | 23 Ų | 23 | 56.1 Ų | 56.1 | 14% | 0.139 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.3 | -45.7 | 175.9 | 175.5 | 0 | 0 | 0 | 0 | 111 | F394 A397 V398 W419 G438 G439 S444 L445 C446 | F394-V442 HydrophobicContact CD1-CG1 4.16Å; A397-V442 HydrophobicContact CB-CG1 3.81Å; A397-V442 HydrophobicContact CB-CG2 4.1Å; V398-V442 HydrophobicContact CB-CG1 4.05Å; W419-V442 HydrophobicContact CH2-CG1 4.35Å; G438-V442 WeakPolarHBondContact O-CG2 3.48Å; G438-V442 PolarHBondContact O-N 2.7Å; G439-V442 PolarHBondContact O-N 3.5Å; V442-S444 VanDerWaalsContact C-N 3.33Å; V442-S444 PolarHBondContact O-N 3.18Å; V442-L445 PolarHBondContact O-N 3.48Å; V442-C446 WeakPolarHBondContact O-CB 3.2Å; V442-C446 PolarHBondContact O-N 3.32Å |
| 443 | G | 97.8 | Very high | 97 | Very high | 12 Ų | 12 | 56 Ų | 56 | 12% | 0.124 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G439 K440 I441 C446 A447 | G439-G443 PolarHBondContact O-N 3.13Å; K440-G443 PolarHBondContact O-N 3.43Å; I441-G443 VanDerWaalsContact C-N 3.33Å; I441-G443 PolarHBondContact O-N 2.69Å; G443-C446 WeakPolarHBondContact O-CB 3.43Å; G443-C446 PolarHBondContact O-N 3.44Å; G443-A447 PolarHBondContact O-N 3.19Å |
| 444 | S | 98 | Very high | 97 | Very high | 72 Ų | 72 | 52 Ų | 52 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 176.1 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | K440 I441 V442 I448 | K440-S444 WeakPolarHBondContact O-CB 3.49Å; K440-S444 PolarHBondContact O-N 3.32Å; K440-S444 PolarHBondContact O-OG 3.25Å; I441-S444 WeakPolarHBondContact O-CB 3.27Å; I441-S444 PolarHBondContact O-N 3.18Å; V442-S444 VanDerWaalsContact C-N 3.33Å; V442-S444 PolarHBondContact O-N 3.18Å; S444-I448 WeakPolarHBondContact O-CG1 3.43Å; S444-I448 PolarHBondContact O-N 3.24Å |
| 445 | L | 98.3 | Very high | 96.9 | Very high | 100 Ų | 100 | 53.4 Ų | 53.4 | 52% | 0.524 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 176 | -66.5 | 174.9 | 0 | 0 | 0 | 111.9 | F394 I441 V442 I448 A449 | F394-L445 HydrophobicContact CE1-CB 4.09Å; I441-L445 HydrophobicContact CG2-CD1 4.26Å; I441-L445 WeakPolarHBondContact O-CG 3.22Å; I441-L445 PolarHBondContact O-N 2.86Å; V442-L445 PolarHBondContact O-N 3.48Å; L445-I448 PolarHBondContact O-N 2.89Å; L445-A449 VanDerWaalsContact O-CB 3.26Å; L445-A449 WeakPolarHBondContact O-CB 3.38Å; L445-A449 PolarHBondContact O-N 3.42Å |
| 446 | C | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60 | -46.8 | 177.2 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | F394 W419 T423 M424 V442 G443 A449 G450 | F394-C446 HydrophobicContact CB-CB 4.06Å; F394-C446 HydrophobicContact CD1-CB 3.69Å; F394-C446 HydrophobicContact CD2-CB 4.07Å; F394-C446 HydrophobicContact CE1-CB 4.13Å; F394-C446 HydrophobicContact CE2-CB 4.49Å; F394-C446 HydrophobicContact CG-CB 3.67Å; W419-C446 HydrophobicContact CH2-CB 4.16Å; T423-C446 HydrophobicContact CG2-CB 4.25Å; M424-C446 VanDerWaalsContact CG-SG 3.58Å; V442-C446 WeakPolarHBondContact O-CB 3.2Å; V442-C446 PolarHBondContact O-N 3.32Å; G443-C446 WeakPolarHBondContact O-CB 3.43Å; G443-C446 PolarHBondContact O-N 3.44Å; C446-A449 PolarHBondContact O-N 3.47Å; C446-G450 PolarHBondContact O-N 3.21Å |
| 447 | A | 98.1 | Very high | 96.4 | Very high | 35 Ų | 35 | 56.5 Ų | 56.5 | 29% | 0.289 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T423 G443 G450 V451 | T423-A447 HydrophobicContact CG2-CB 4.19Å; G443-A447 PolarHBondContact O-N 3.19Å; A447-G450 PolarHBondContact O-N 3.08Å; A447-V451 WeakPolarHBondContact O-CG2 3.47Å; A447-V451 PolarHBondContact O-N 2.9Å; A447-V451 VanDerWaalsContact O-N 3.12Å |
| 448 | I | 97.8 | Very high | 96.3 | Very high | 103 Ų | 103 | 54.1 Ų | 54.1 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 177.6 | -65.1 | 166.9 | 0 | 0 | 0 | 110.5 | S444 L445 G450 V451 L452 | S444-I448 WeakPolarHBondContact O-CG1 3.43Å; S444-I448 PolarHBondContact O-N 3.24Å; L445-I448 PolarHBondContact O-N 2.89Å; I448-G450 VanDerWaalsContact C-N 3.3Å; I448-G450 PolarHBondContact O-N 3.15Å; I448-V451 PolarHBondContact O-N 3.45Å; I448-L452 HydrophobicContact CG2-CD1 4.03Å; I448-L452 WeakPolarHBondContact O-CG 2.87Å; I448-L452 PolarHBondContact O-N 3.31Å; I448-L452 VanDerWaalsContact O-N 3.09Å |
| 449 | A | 97.8 | Very high | 96.2 | Very high | 25 Ų | 25 | 56.1 Ų | 56.1 | 21% | 0.207 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.6 | -37.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F394 L445 C446 L452 T453 | F394-A449 HydrophobicContact CE2-CB 3.54Å; F394-A449 HydrophobicContact CZ-CB 3.52Å; L445-A449 VanDerWaalsContact O-CB 3.26Å; L445-A449 WeakPolarHBondContact O-CB 3.38Å; L445-A449 PolarHBondContact O-N 3.42Å; C446-A449 PolarHBondContact O-N 3.47Å; A449-L452 PolarHBondContact O-N 3.03Å; A449-T453 VanDerWaalsContact O-CB 3.27Å; A449-T453 WeakPolarHBondContact O-CB 3.23Å; A449-T453 PolarHBondContact O-N 3.05Å; A449-T453 PolarHBondContact O-OG1 3.45Å |
| 450 | G | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.6 | -49.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | M424 C446 A447 I448 L452 T453 I454 | M424-G450 CarbonylContact O-C 3.34Å; M424-G450 VanDerWaalsContact O-CA 3.26Å; M424-G450 WeakPolarHBondContact O-CA 3.46Å; C446-G450 PolarHBondContact O-N 3.21Å; A447-G450 PolarHBondContact O-N 3.08Å; I448-G450 VanDerWaalsContact C-N 3.3Å; I448-G450 PolarHBondContact O-N 3.15Å; G450-L452 VanDerWaalsContact C-N 3.35Å; G450-L452 PolarHBondContact O-N 3.07Å; G450-T453 PolarHBondContact O-N 3.33Å; G450-I454 WeakPolarHBondContact O-CG1 3.31Å; G450-I454 PolarHBondContact O-N 2.92Å |
| 451 | V | 96.8 | Very high | 95.9 | Very high | 78 Ų | 78 | 55.3 Ų | 55.3 | 47% | 0.473 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 175.9 | 173.6 | 0 | 0 | 0 | 0 | 111 | T426 A447 I448 T453 I454 A455 | T426-V451 HydrophobicContact CG2-CG2 3.58Å; A447-V451 WeakPolarHBondContact O-CG2 3.47Å; A447-V451 PolarHBondContact O-N 2.9Å; A447-V451 VanDerWaalsContact O-N 3.12Å; I448-V451 PolarHBondContact O-N 3.45Å; V451-T453 PolarHBondContact O-N 3.38Å; V451-I454 PolarHBondContact O-N 3.24Å; V451-A455 WeakPolarHBondContact O-CB 3.47Å; V451-A455 PolarHBondContact O-N 2.92Å |
| 452 | L | 95.8 | Very high | 95.7 | Very high | 107 Ų | 107 | 54.4 Ų | 54.4 | 56% | 0.56 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.8 | -42.2 | 178.1 | -67.8 | 173.4 | 0 | 0 | 0 | 112 | I448 A449 G450 I454 A455 L456 | I448-L452 HydrophobicContact CG2-CD1 4.03Å; I448-L452 WeakPolarHBondContact O-CG 2.87Å; I448-L452 PolarHBondContact O-N 3.31Å; I448-L452 VanDerWaalsContact O-N 3.09Å; A449-L452 PolarHBondContact O-N 3.03Å; G450-L452 VanDerWaalsContact C-N 3.35Å; G450-L452 PolarHBondContact O-N 3.07Å; L452-I454 PolarHBondContact O-N 2.89Å; L452-A455 PolarHBondContact O-N 2.77Å; L452-L456 WeakPolarHBondContact O-CG 3.42Å; L452-L456 PolarHBondContact O-N 3.01Å |
| 453 | T | 95.3 | Very high | 95.4 | Very high | 26 Ų | 26 | 56.9 Ų | 56.9 | 16% | 0.16 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63 | -41.2 | 180 | -61 | 0 | 0 | 0 | 0 | 111.9 | F386 A449 G450 V451 P457 | F386-T453 HydrophobicContact CB-CG2 3.57Å; A449-T453 VanDerWaalsContact O-CB 3.27Å; A449-T453 WeakPolarHBondContact O-CB 3.23Å; A449-T453 PolarHBondContact O-N 3.05Å; A449-T453 PolarHBondContact O-OG1 3.45Å; G450-T453 PolarHBondContact O-N 3.33Å; V451-T453 PolarHBondContact O-N 3.38Å; T453-P457 WeakPolarHBondContact O-CD 3.28Å |
| 454 | I | 94.6 | Very high | 95.1 | Very high | 55 Ų | 55 | 58.4 Ų | 58.4 | 28% | 0.282 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -74.7 | -36.9 | 178.1 | -65.2 | 171.8 | 0 | 0 | 0 | 110.9 | L383 T425 G450 V451 L452 L456 P457 V458 | L383-I454 HydrophobicContact CD1-CG1 4.34Å; T425-I454 HydrophobicContact CG2-CD1 4.2Å; G450-I454 WeakPolarHBondContact O-CG1 3.31Å; G450-I454 PolarHBondContact O-N 2.92Å; V451-I454 PolarHBondContact O-N 3.24Å; L452-I454 PolarHBondContact O-N 2.89Å; I454-L456 VanDerWaalsContact C-N 3.29Å; I454-L456 PolarHBondContact O-N 3.03Å; I454-P457 WeakPolarHBondContact O-CD 3.38Å; I454-V458 HydrophobicContact CG2-CG2 4.02Å; I454-V458 WeakPolarHBondContact O-CG2 3.27Å |
| 455 | A | 94.4 | Very high | 94.9 | Very high | 51 Ų | 51 | 58.6 Ų | 58.6 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.8 | -24.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | V451 L452 P459 | V451-A455 WeakPolarHBondContact O-CB 3.47Å; V451-A455 PolarHBondContact O-N 2.92Å; L452-A455 PolarHBondContact O-N 2.77Å; A455-P459 WeakPolarHBondContact O-CD 3.47Å; A455-P459 WeakPolarHBondContact O-CG 3.2Å |
| 456 | L | 89.8 | Confident | 94.6 | Very high | 131 Ų | 131 | 57.9 Ų | 57.9 | 69% | 0.686 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -48.8 | -175.8 | -65.2 | 169.4 | 0 | 0 | 0 | 113.8 | L452 I454 | L452-L456 WeakPolarHBondContact O-CG 3.42Å; L452-L456 PolarHBondContact O-N 3.01Å; I454-L456 VanDerWaalsContact C-N 3.29Å; I454-L456 PolarHBondContact O-N 3.03Å |
| 457 | P | 91.2 | Very high | 94.1 | Very high | 12 Ų | 12 | 62.5 Ų | 62.5 | 8% | 0.078 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -25.6 | -175.9 | -16.9 | 35.8 | 0 | 0 | 0 | 113.5 | L383 T453 I454 V460 I461 | L383-P457 HydrophobicContact CB-CB 4.14Å; L383-P457 HydrophobicContact CB-CG 3.91Å; L383-P457 HydrophobicContact CD1-CG 4.06Å; T453-P457 WeakPolarHBondContact O-CD 3.28Å; I454-P457 WeakPolarHBondContact O-CD 3.38Å; P457-V460 PolarHBondContact O-N 3.02Å; P457-I461 PolarHBondContact O-N 2.9Å |
| 458 | V | 93.8 | Very high | 93.7 | Very high | 60 Ų | 60 | 62.1 Ų | 62.1 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.2 | -45.5 | -175.3 | 169 | 0 | 0 | 0 | 0 | 113.1 | I454 V460 I461 V462 | I454-V458 HydrophobicContact CG2-CG2 4.02Å; I454-V458 WeakPolarHBondContact O-CG2 3.27Å; V458-V460 PolarHBondContact O-N 3.21Å; V458-I461 PolarHBondContact O-N 2.97Å; V458-I461 VanDerWaalsContact O-N 3.13Å; V458-V462 HydrophobicContact CG1-CG2 3.99Å; V458-V462 VanDerWaalsContact O-CG2 3.32Å; V458-V462 WeakPolarHBondContact O-CG2 3.36Å; V458-V462 PolarHBondContact O-N 3.46Å |
| 459 | P | 94.9 | Very high | 93.3 | Very high | 77 Ų | 77 | 62.6 Ų | 62.6 | 50% | 0.5 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.3 | -35.5 | 177.8 | -27.7 | 35.7 | 0 | 0 | 0 | 113.7 | A455 V462 S463 | A455-P459 WeakPolarHBondContact O-CD 3.47Å; A455-P459 WeakPolarHBondContact O-CG 3.2Å; P459-V462 PolarHBondContact O-N 3.34Å; P459-S463 WeakPolarHBondContact O-CB 3.27Å; P459-S463 PolarHBondContact O-N 3.44Å |
| 460 | V | 93.1 | Very high | 92.7 | Very high | 64 Ų | 64 | 65.5 Ų | 65.5 | 39% | 0.388 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.3 | -44.3 | 177.6 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | E379 P457 V458 V462 S463 N464 | E379-V460 HydrophobicContact CG-CB 4.2Å; E379-V460 HydrophobicContact CG-CG1 3.77Å; P457-V460 PolarHBondContact O-N 3.02Å; V458-V460 PolarHBondContact O-N 3.21Å; V460-V462 VanDerWaalsContact C-N 3.31Å; V460-V462 PolarHBondContact O-N 2.86Å; V460-S463 PolarHBondContact O-N 3.26Å; V460-N464 PolarHBondContact O-N 3.5Å |
| 461 | I | 93.6 | Very high | 92 | Very high | 31 Ų | 31 | 68.5 Ų | 68.5 | 16% | 0.159 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61 | -42.9 | 175.3 | -60.7 | 169.5 | 0 | 0 | 0 | 110.4 | T372 E379 P457 V458 N464 F465 | T372-I461 HydrophobicContact CG2-CG2 4.2Å; T372-I461 WeakPolarHBondContact CG2-O 3.12Å; E379-I461 HydrophobicContact CB-CG1 4.41Å; P457-I461 PolarHBondContact O-N 2.9Å; V458-I461 PolarHBondContact O-N 2.97Å; V458-I461 VanDerWaalsContact O-N 3.13Å; I461-N464 PolarHBondContact O-N 2.94Å; I461-F465 PolarHBondContact O-N 3.12Å |
| 462 | V | 95.1 | Very high | 91.3 | Very high | 81 Ų | 81 | 66.7 Ų | 66.7 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 177.6 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | V458 P459 V460 F465 N466 | V458-V462 HydrophobicContact CG1-CG2 3.99Å; V458-V462 VanDerWaalsContact O-CG2 3.32Å; V458-V462 WeakPolarHBondContact O-CG2 3.36Å; V458-V462 PolarHBondContact O-N 3.46Å; P459-V462 PolarHBondContact O-N 3.34Å; V460-V462 VanDerWaalsContact C-N 3.31Å; V460-V462 PolarHBondContact O-N 2.86Å; V462-F465 WeakPolarHBondContact O-CB 3.38Å; V462-F465 PolarHBondContact O-N 3.4Å; V462-N466 WeakPolarHBondContact O-CB 3.3Å; V462-N466 PolarHBondContact O-N 3.34Å |
| 463 | S | 92.4 | Very high | 90.6 | Very high | 75 Ų | 75 | 63.8 Ų | 63.8 | 52% | 0.524 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 175.3 | -175 | 0 | 0 | 0 | 0 | 111.5 | P459 V460 F465 N466 Y467 | P459-S463 WeakPolarHBondContact O-CB 3.27Å; P459-S463 PolarHBondContact O-N 3.44Å; V460-S463 PolarHBondContact O-N 3.26Å; S463-F465 VanDerWaalsContact C-N 3.35Å; S463-N466 PolarHBondContact O-N 3.25Å; S463-Y467 PolarHBondContact O-N 2.74Å |
| 464 | N | 91.4 | Very high | 89.6 | Confident | 43 Ų | 43 | 66.8 Ų | 66.8 | 23% | 0.23 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 173.7 | -74.4 | -19.8 | 0 | 0 | 0 | 111.6 | T372 S376 V460 I461 Y467 F468 | T372-N464 HydrophobicContact CG2-CB 4.07Å; S376-N464 PolarHBondContact OG-ND2 3.25Å; V460-N464 PolarHBondContact O-N 3.5Å; I461-N464 PolarHBondContact O-N 2.94Å; N464-Y467 PolarHBondContact O-N 3.03Å; N464-F468 WeakPolarHBondContact O-CD2 3.43Å; N464-F468 PolarHBondContact O-N 3.4Å |
| 465 | F | 93.1 | Very high | 88.3 | Confident | 77 Ų | 77 | 66.9 Ų | 66.9 | 34% | 0.338 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.7 | -48.1 | 175 | -179.5 | -101.5 | 0 | 0 | 0 | 111.4 | I368 T372 I461 V462 S463 Y467 F468 Y469 | I368-F465 HydrophobicContact CG2-CD2 3.99Å; I368-F465 HydrophobicContact CG2-CE2 3.78Å; T372-F465 HydrophobicContact CG2-CB 3.82Å; T372-F465 WeakPolarHBondContact OG1-CA 3.45Å; I461-F465 PolarHBondContact O-N 3.12Å; V462-F465 WeakPolarHBondContact O-CB 3.38Å; V462-F465 PolarHBondContact O-N 3.4Å; S463-F465 VanDerWaalsContact C-N 3.35Å; F465-Y467 VanDerWaalsContact C-N 3.34Å; F465-Y467 PolarHBondContact O-N 3.42Å; F465-F468 PolarHBondContact O-N 3.44Å; F465-Y469 HydrophobicContact CZ-CD2 4.37Å; F465-Y469 WeakPolarHBondContact O-CB 3.43Å; F465-Y469 PolarHBondContact O-N 3.26Å |
| 466 | N | 91.6 | Very high | 86.9 | Confident | 85 Ų | 85 | 67.5 Ų | 67.5 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 178.6 | -175.5 | -67.3 | 0 | 0 | 0 | 110.8 | V462 S463 Y469 H470 | V462-N466 WeakPolarHBondContact O-CB 3.3Å; V462-N466 PolarHBondContact O-N 3.34Å; S463-N466 PolarHBondContact O-N 3.25Å; N466-Y469 PolarHBondContact O-N 3.13Å; N466-H470 PolarHBondContact O-CD2 3.1Å; N466-H470 VanDerWaalsContact O-CD2 3.28Å; N466-H470 PolarHBondContact O-N 3.12Å; N466-H470 PolarHBondContact OD1-CD2 3.2Å |
| 467 | Y | 88.4 | Confident | 85.5 | Confident | 97 Ų | 97 | 66.2 Ų | 66.2 | 38% | 0.38 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56.3 | -53.7 | 174.9 | 172.9 | -96.7 | 0 | 0 | 0 | 112.5 | G188 S463 N464 F465 Y469 R471 | G188-Y467 PolarHBondContact O-OH 3.34Å; S463-Y467 PolarHBondContact O-N 2.74Å; N464-Y467 PolarHBondContact O-N 3.03Å; F465-Y467 VanDerWaalsContact C-N 3.34Å; F465-Y467 PolarHBondContact O-N 3.42Å; Y467-Y469 VanDerWaalsContact C-N 3.32Å; Y467-Y469 PolarHBondContact O-N 2.96Å; Y467-R471 VanDerWaalsContact O-CB 3.31Å; Y467-R471 WeakPolarHBondContact O-CB 3.47Å; Y467-R471 PolarHBondContact O-N 3.2Å |
| 468 | F | 88.8 | Confident | 83.9 | Confident | 26 Ų | 26 | 68.3 Ų | 68.3 | 11% | 0.114 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.9 | -32.4 | -179.8 | -71.6 | -64 | 0 | 0 | 0 | 112.9 | I368 Q371 A375 N464 F465 E472 | I368-F468 HydrophobicContact CG2-CB 3.92Å; Q371-F468 HydrophobicContact CB-CD1 4.48Å; Q371-F468 HydrophobicContact CB-CG 4.44Å; A375-F468 HydrophobicContact CB-CE2 3.65Å; A375-F468 HydrophobicContact CB-CZ 3.96Å; N464-F468 WeakPolarHBondContact O-CD2 3.43Å; N464-F468 PolarHBondContact O-N 3.4Å; F465-F468 PolarHBondContact O-N 3.44Å; F468-E472 PolarHBondContact O-N 3.37Å; F468-E472 VanDerWaalsContact O-N 3.16Å |
| 469 | Y | 90 | Very high | 82 | Confident | 113 Ų | 113 | 69.1 Ų | 69.1 | 44% | 0.443 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.1 | -48.7 | 178.2 | 179.9 | -98.9 | 0 | 0 | 0 | 112.3 | I368 F465 N466 Y467 T473 | I368-Y469 HydrophobicContact CD1-CD2 4.12Å; F465-Y469 HydrophobicContact CZ-CD2 4.37Å; F465-Y469 WeakPolarHBondContact O-CB 3.43Å; F465-Y469 PolarHBondContact O-N 3.26Å; N466-Y469 PolarHBondContact O-N 3.13Å; Y467-Y469 VanDerWaalsContact C-N 3.32Å; Y467-Y469 PolarHBondContact O-N 2.96Å; Y469-T473 WeakPolarHBondContact O-CB 3.27Å; Y469-T473 PolarHBondContact O-N 3.48Å; Y469-T473 VanDerWaalsContact O-N 3.12Å; Y469-T473 PolarHBondContact O-OG1 3.01Å |
| 470 | H | 85.4 | Confident | 79.9 | Confident | 87 Ų | 87 | 72.2 Ų | 72.2 | 40% | 0.403 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 176.7 | -79.6 | -72.5 | 0 | 0 | 0 | 111.6 | N466 E472 T473 D474 | N466-H470 PolarHBondContact O-CD2 3.1Å; N466-H470 VanDerWaalsContact O-CD2 3.28Å; N466-H470 PolarHBondContact O-N 3.12Å; N466-H470 PolarHBondContact OD1-CD2 3.2Å; H470-E472 PolarHBondContact O-N 3.34Å; H470-T473 PolarHBondContact O-N 3.49Å; H470-T473 VanDerWaalsContact O-N 3.13Å; H470-D474 WeakPolarHBondContact O-CB 3.42Å; H470-D474 VanDerWaalsContact O-CG 3.26Å; H470-D474 PolarHBondContact O-N 3Å |
| 471 | R | 82.8 | Confident | 77.8 | Confident | 63 Ų | 63 | 77.1 Ų | 77.1 | 24% | 0.238 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -56.1 | -47.3 | 177.2 | -170.7 | -179.4 | 73.6 | 141.8 | 2.6 | 112.8 | Y467 Q475 | Y467-R471 VanDerWaalsContact O-CB 3.31Å; Y467-R471 WeakPolarHBondContact O-CB 3.47Å; Y467-R471 PolarHBondContact O-N 3.2Å; R471-Q475 WeakPolarHBondContact O-CG 3.3Å; R471-Q475 PolarHBondContact O-N 3.03Å |
| 472 | E | 81.4 | Confident | 75.2 | Confident | 39 Ų | 39 | 81.9 Ų | 81.9 | 18% | 0.182 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -68.6 | -36.1 | 178.9 | -163.2 | 77.5 | -165.2 | 0 | 0 | 111.6 | K364 I368 F468 H470 D476 | K364-E472 HydrophobicContact CD-CG 4.46Å; I368-E472 HydrophobicContact CD1-CB 4.04Å; I368-E472 HydrophobicContact CD1-CG 4.24Å; I368-E472 HydrophobicContact CG1-CB 4.36Å; F468-E472 PolarHBondContact O-N 3.37Å; F468-E472 VanDerWaalsContact O-N 3.16Å; H470-E472 PolarHBondContact O-N 3.34Å; E472-D476 PolarHBondContact O-N 3.3Å |
| 473 | T | 80.6 | Confident | 72.3 | Confident | 46 Ų | 46 | 83.5 Ų | 83.5 | 28% | 0.282 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -70 | -36.4 | 179.4 | -53.9 | 0 | 0 | 0 | 0 | 112.2 | Y469 H470 Q477 | Y469-T473 WeakPolarHBondContact O-CB 3.27Å; Y469-T473 PolarHBondContact O-N 3.48Å; Y469-T473 VanDerWaalsContact O-N 3.12Å; Y469-T473 PolarHBondContact O-OG1 3.01Å; H470-T473 PolarHBondContact O-N 3.49Å; H470-T473 VanDerWaalsContact O-N 3.13Å; T473-Q477 PolarHBondContact O-N 3.37Å |
| 474 | D | 75 | Confident | 69.9 | Low | 90 Ų | 90 | 86 Ų | 86 | 48% | 0.481 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -74.4 | -34.3 | 178.7 | -68.1 | -21.1 | 0 | 0 | 0 | 111.5 | H470 Q477 S478 | H470-D474 WeakPolarHBondContact O-CB 3.42Å; H470-D474 VanDerWaalsContact O-CG 3.26Å; H470-D474 PolarHBondContact O-N 3Å; D474-Q477 PolarHBondContact O-N 2.95Å; D474-Q477 VanDerWaalsContact O-N 3.11Å; D474-S478 PolarHBondContact O-N 3.12Å |
| 475 | Q | 68.3 | Low | 67.4 | Low | 56 Ų | 56 | 88.5 Ų | 88.5 | 26% | 0.262 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 172.6 | -80.7 | -179.4 | -30.1 | 0 | 0 | 112.9 | E192 R471 Q477 S478 S479 | E192-Q475 PolarHBondContact OE1-NE2 3.23Å; R471-Q475 WeakPolarHBondContact O-CG 3.3Å; R471-Q475 PolarHBondContact O-N 3.03Å; Q475-Q477 PolarHBondContact O-N 3.25Å; Q475-S478 PolarHBondContact O-N 3.5Å; Q475-S478 PolarHBondContact O-OG 2.93Å; Q475-S478 VanDerWaalsContact O-OG 3.14Å; Q475-S479 WeakPolarHBondContact O-CB 3.41Å; Q475-S479 PolarHBondContact O-N 3.02Å; Q475-S479 VanDerWaalsContact O-N 3.1Å; Q475-S479 PolarHBondContact O-OG 3.13Å |
| 476 | D | 64.8 | Low | 64.4 | Low | 65 Ų | 65 | 88.3 Ų | 88.3 | 35% | 0.348 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.2 | -30.4 | 173.5 | -76.8 | -17 | 0 | 0 | 0 | 111.5 | K364 E472 S479 L480 | K364-D476 IonicContact NZ-OD1 2.69Å; K364-D476 PolarHBondContact NZ-OD1 2.84Å; K364-D476 IonicContact NZ-OD2 2.91Å; K364-D476 PolarHBondContact NZ-OD2 3.17Å; E472-D476 PolarHBondContact O-N 3.3Å; D476-S479 PolarHBondContact O-OG 3.22Å; D476-L480 WeakPolarHBondContact O-CD1 3.31Å; D476-L480 VanDerWaalsContact O-CG 3.29Å; D476-L480 WeakPolarHBondContact O-CG 3.46Å |
| 477 | Q | 60.3 | Low | 61.6 | Low | 103 Ų | 103 | 87.4 Ų | 87.4 | 48% | 0.481 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -82.4 | -34.2 | 177.9 | -71.2 | -176.3 | 48.4 | 0 | 0 | 113.9 | T473 D474 Q475 | T473-Q477 PolarHBondContact O-N 3.37Å; D474-Q477 PolarHBondContact O-N 2.95Å; D474-Q477 VanDerWaalsContact O-N 3.11Å; Q475-Q477 PolarHBondContact O-N 3.25Å |
| 478 | S | 56.9 | Low | 59.2 | Low | 56 Ų | 56 | 89.2 Ų | 89.2 | 39% | 0.392 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72 | -40 | 177.6 | 59.9 | 0 | 0 | 0 | 0 | 111.8 | D474 Q475 L480 K481 D482 | D474-S478 PolarHBondContact O-N 3.12Å; Q475-S478 PolarHBondContact O-N 3.5Å; Q475-S478 PolarHBondContact O-OG 2.93Å; Q475-S478 VanDerWaalsContact O-OG 3.14Å; S478-L480 PolarHBondContact O-N 3.25Å; S478-K481 PolarHBondContact O-N 3.02Å; S478-D482 PolarHBondContact O-N 3.11Å; S478-D482 VanDerWaalsContact O-N 3.16Å |
| 479 | S | 53 | Low | 56.5 | Low | 77 Ų | 77 | 97 Ų | 97 | 54% | 0.538 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.1 | -28.2 | 175.5 | 54 | 0 | 0 | 0 | 0 | 113.4 | Q475 D476 K481 | Q475-S479 WeakPolarHBondContact O-CB 3.41Å; Q475-S479 PolarHBondContact O-N 3.02Å; Q475-S479 VanDerWaalsContact O-N 3.1Å; Q475-S479 PolarHBondContact O-OG 3.13Å; D476-S479 PolarHBondContact O-OG 3.22Å; S479-K481 VanDerWaalsContact C-N 3.33Å |
| 480 | L | 52.6 | Low | 53.8 | Low | 143 Ų | 143 | 96.8 Ų | 96.8 | 75% | 0.749 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -19.8 | 171.8 | -71.5 | 168.4 | 0 | 0 | 0 | 113.7 | D476 S478 | D476-L480 WeakPolarHBondContact O-CD1 3.31Å; D476-L480 VanDerWaalsContact O-CG 3.29Å; D476-L480 WeakPolarHBondContact O-CG 3.46Å; S478-L480 PolarHBondContact O-N 3.25Å |
| 481 | K | 47.4 | Very low | 51.2 | Low | 167 Ų | 167 | 98.5 Ų | 98.5 | 73% | 0.726 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -23.9 | -179.9 | -71.9 | 176 | -179 | 171.9 | 0 | 113.3 | S478 S479 | S478-K481 PolarHBondContact O-N 3.02Å; S479-K481 VanDerWaalsContact C-N 3.33Å |
| 482 | D | 40.8 | Very low | 48.6 | Very low | 130 Ų | 130 | 103.3 Ų | 103.3 | 70% | 0.695 | 61% | 0.608 | S | S | * | * | trans | -88 | 8.7 | -177.1 | -77.9 | -29 | 0 | 0 | 0 | 114.4 | S478 P484 | S478-D482 PolarHBondContact O-N 3.11Å; S478-D482 VanDerWaalsContact O-N 3.16Å; D482-P484 WeakPolarHBondContact O-CD 3.32Å | ||
| 483 | D | 33.4 | Very low | 46.2 | Very low | 116 Ų | 116 | 107.8 Ų | 107.8 | 62% | 0.62 | 64% | 0.638 | S | S | * | * | trans | -79.7 | 101.8 | 169.1 | -164 | -13.2 | 0 | 0 | 0 | 110.1 | S485 | D483-S485 VanDerWaalsContact C-N 3.31Å; D483-S485 PolarHBondContact O-N 3.39Å; D483-S485 PolarHBondContact OD1-OG 3.43Å | ||
| 484 | P | 42.6 | Very low | 43.6 | Very low | 128 Ų | 128 | 114.2 Ų | 114.2 | 83% | 0.831 | 66% | 0.662 | S | S | * | * | trans | -93.7 | 70.5 | -179.5 | 19.8 | 3.8 | 0 | 0 | 0 | 107.2 | D482 | D482-P484 WeakPolarHBondContact O-CD 3.32Š| ||
| 485 | S | 38 | Very low | 41.5 | Very low | 94 Ų | 94 | 121.4 Ų | 121.4 | 66% | 0.657 | 68% | 0.682 | S | S | * | * | trans | -136.8 | 75.9 | 173 | 60.1 | 0 | 0 | 0 | 0 | 112 | D483 | D483-S485 VanDerWaalsContact C-N 3.31Å; D483-S485 PolarHBondContact O-N 3.39Å; D483-S485 PolarHBondContact OD1-OG 3.43Å | ||
| 486 | G | 31.3 | Very low | 39.6 | Very low | 73 Ų | 73 | 128.8 Ų | 128.8 | 75% | 0.753 | 71% | 0.714 | S | S | * | * | trans | 140.8 | 98.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 487 | G | 31.6 | Very low | 37.7 | Very low | 67 Ų | 67 | 129.7 Ų | 129.7 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | trans | -60.3 | 158.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E489 | G487-E489 PolarHBondContact O-N 3.34Š| ||
| 488 | P | 38 | Very low | 36.1 | Very low | 134 Ų | 134 | 130.4 Ų | 130.4 | 87% | 0.87 | 75% | 0.754 | S | S | * | * | trans | -76 | 91.8 | 179.4 | 30.7 | -31.4 | 0 | 0 | 0 | 109.7 | S490 | P488-S490 PolarHBondContact O-N 3.29Š| ||
| 489 | E | 32.3 | Very low | 34.7 | Very low | 190 Ų | 190 | 139.2 Ų | 139.2 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | -75.1 | 118.5 | 155.5 | -85.2 | -165.9 | 162.4 | 0 | 0 | 108.7 | G487 | G487-E489 PolarHBondContact O-N 3.34Š| ||
| 490 | S | 32.6 | Very low | 33.4 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -63.2 | 132.8 | 173.6 | -53.7 | 0 | 0 | 0 | 0 | 109.7 | P488 E492 | P488-S490 PolarHBondContact O-N 3.29Å; S490-E492 PolarHBondContact O-N 2.74Å | ||
| 491 | P | 32.6 | Very low | 32.2 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -74.6 | 105.2 | 177.4 | 26.5 | -29.3 | 0 | 0 | 0 | 110.5 | V493 | P491-V493 PolarHBondContact O-N 3.27Š| ||
| 492 | E | 28.2 | Very low | 31.2 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 77% | 0.771 | 80% | 0.804 | S | S | * | * | trans | -65.4 | 110.3 | 166.5 | -157.4 | -176.3 | -175.3 | 0 | 0 | 109.2 | S490 K494 | S490-E492 PolarHBondContact O-N 2.74Å; E492-K494 PolarHBondContact O-N 3.11Å | ||
| 493 | V | 29.2 | Very low | 30.4 | Very low | 133 Ų | 133 | 143 Ų | 143 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | trans | -69.5 | 93 | -179.4 | 178.9 | 0 | 0 | 0 | 0 | 110.3 | P491 R495 | P491-V493 PolarHBondContact O-N 3.27Å; V493-R495 PolarHBondContact O-N 2.93Å | ||
| 494 | K | 27.3 | Very low | 30 | Very low | 181 Ų | 181 | 142.7 Ų | 142.7 | 79% | 0.787 | 82% | 0.818 | S | S | * | * | trans | -79.8 | 100.3 | 165.3 | -89.5 | 175.6 | -179.5 | 159.6 | 0 | 110.5 | E492 K496 | E492-K494 PolarHBondContact O-N 3.11Å; K494-K496 PolarHBondContact O-N 3.34Å | ||
| 495 | R | 30.3 | Very low | 29.2 | Very low | 240 Ų | 240 | 144.8 Ų | 144.8 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | trans | -60.2 | 118.3 | 161.9 | -86.6 | 177.9 | 166.2 | 168.6 | -3.3 | 110.2 | V493 | V493-R495 PolarHBondContact O-N 2.93Š| ||
| 496 | K | 27.6 | Very low | 28.7 | Very low | 212 Ų | 212 | 147.3 Ų | 147.3 | 92% | 0.922 | 82% | 0.823 | S | S | * | * | trans | -136.6 | 126.3 | 153.8 | -121.3 | 178.2 | -177.8 | 179.4 | 0 | 109.5 | K494 | K494-K496 PolarHBondContact O-N 3.34Š| ||
| 497 | G | 26.3 | Very low | 28.5 | Very low | 83 Ų | 83 | 150.3 Ų | 150.3 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | trans | -75.4 | 159.8 | -163.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 498 | S | 26.6 | Very low | 28.2 | Very low | 119 Ų | 119 | 156.5 Ų | 156.5 | 83% | 0.832 | 84% | 0.838 | S | S | * | * | trans | -128.8 | 131.4 | 152 | -171.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 499 | R | 26.8 | Very low | 27.6 | Very low | 240 Ų | 240 | 158.8 Ų | 158.8 | 91% | 0.906 | 83% | 0.834 | S | S | * | * | trans | -74.9 | 129.5 | 173.4 | -83 | 168.6 | 151.2 | 168.2 | -7.1 | 108.6 | ||||
| 500 | T | 26.3 | Very low | 27.3 | Very low | 144 Ų | 144 | 156.2 Ų | 156.2 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | -155.1 | 120.6 | 135.2 | 5.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 501 | S | 26.2 | Very low | 27 | Very low | 109 Ų | 109 | 159 Ų | 159 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | trans | -44.8 | 130.7 | 172.7 | 154.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 502 | V | 27.6 | Very low | 26.6 | Very low | 146 Ų | 146 | 158.4 Ų | 158.4 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | trans | -144.8 | 140.1 | 131.9 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 503 | K | 24.7 | Very low | 26.5 | Very low | 197 Ų | 197 | 158.3 Ų | 158.3 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | trans | -62.5 | 153.2 | -171.4 | -84.8 | 169.4 | 165.8 | 176.5 | 0 | 115.7 | ||||
| 504 | S | 24.2 | Very low | 26.4 | Very low | 110 Ų | 110 | 155.5 Ų | 155.5 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | trans | -57.9 | 172 | 169.1 | -42.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 505 | Q | 26 | Very low | 26.4 | Very low | 172 Ų | 172 | 152.2 Ų | 152.2 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | 102.4 | 126.1 | 166.5 | -66.9 | -175.5 | -57 | 0 | 0 | 112.7 | ||||
| 506 | D | 26.5 | Very low | 26.1 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | cis | -152.2 | 164.9 | 19.5 | -87.4 | -45 | 0 | 0 | 0 | 112.2 | ||||
| 507 | V | 27.2 | Very low | 26.2 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | trans | -84.6 | 131.8 | 172.1 | 168.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 508 | E | 26.4 | Very low | 26.2 | Very low | 197 Ų | 197 | 148 Ų | 148 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | trans | -158.1 | 153.6 | 146 | -127.3 | 174.7 | 170.3 | 0 | 0 | 114.3 | ||||
| 509 | K | 25.3 | Very low | 26.3 | Very low | 183 Ų | 183 | 151.9 Ų | 151.9 | 80% | 0.796 | 83% | 0.827 | S | S | * | * | trans | -87.9 | 171 | -163.7 | -69.6 | 170 | 163.6 | 177.2 | 0 | 114.8 | ||||
| 510 | N | 25.9 | Very low | 26.2 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | trans | 122.4 | 109.8 | 144.5 | -74.4 | 1.1 | 0 | 0 | 0 | 112.6 | ||||
| 511 | E | 25.7 | Very low | 26.2 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 77% | 0.771 | 82% | 0.82 | S | S | * | * | 86.8 | 127.1 | 78.3 | -101 | -173.2 | 174.1 | 0 | 0 | 114.1 | |||||
| 512 | T | 25.3 | Very low | 26.3 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 69% | 0.687 | 82% | 0.821 | S | S | * | * | trans | 76.6 | 121.6 | 150.9 | 41.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 513 | D | 25.9 | Very low | 26.3 | Very low | 163 Ų | 163 | 150.7 Ų | 150.7 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | trans | 69.3 | 136.1 | 131.7 | -65.9 | -16.7 | 0 | 0 | 0 | 122.7 | ||||
| 514 | G | 26.1 | Very low | 26.5 | Very low | 74 Ų | 74 | 146 Ų | 146 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | 139.7 | 87.3 | 148.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 515 | A | 27.1 | Very low | 26.7 | Very low | 111 Ų | 111 | 147.7 Ų | 147.7 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | trans | -72.7 | 130.8 | 161 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 516 | S | 25.2 | Very low | 27.2 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | trans | -152.2 | 121.6 | 153.2 | 49.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 517 | V | 29.1 | Very low | 27.6 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -82 | 118.8 | 171.4 | 170.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 518 | E | 26.1 | Very low | 28.1 | Very low | 185 Ų | 185 | 144.2 Ų | 144.2 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -115.6 | 114.6 | 169.8 | -160 | 169.8 | -170.8 | 0 | 0 | 109.8 | A520 | E518-A520 PolarHBondContact O-N 3.42Š| ||
| 519 | K | 28.6 | Very low | 28.8 | Very low | 202 Ų | 202 | 140.3 Ų | 140.3 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | trans | -72.7 | 117.3 | 169.8 | -76.3 | 178.6 | 174.6 | 178.5 | 0 | 108.4 | ||||
| 520 | A | 25.8 | Very low | 29.3 | Very low | 89 Ų | 89 | 139.8 Ų | 139.8 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | -109.1 | 114.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | E518 | E518-A520 PolarHBondContact O-N 3.42Š| ||
| 521 | N | 26.4 | Very low | 29.8 | Very low | 169 Ų | 169 | 142 Ų | 142 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | trans | -80.3 | 113.3 | 174.8 | -155.6 | -5.6 | 0 | 0 | 0 | 107.7 | ||||
| 522 | I | 28.1 | Very low | 30.3 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 80% | 0.795 | 80% | 0.797 | S | S | * | * | trans | -104.7 | 107.4 | 178.5 | -61.1 | -179.5 | 0 | 0 | 0 | 109.7 | ||||
| 523 | K | 27.1 | Very low | 31 | Very low | 200 Ų | 200 | 140 Ų | 140 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -73.9 | 111.3 | 168.9 | -164.4 | 175.6 | -173.1 | 179.3 | 0 | 108.3 | ||||
| 524 | A | 29.6 | Very low | 31.6 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -76.8 | 123.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 525 | N | 27.6 | Very low | 32 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | -96.7 | 111.5 | 178.3 | -163.7 | 5.3 | 0 | 0 | 0 | 108.5 | S527 | N525-S527 VanDerWaalsContact C-N 3.27Å; N525-S527 PolarHBondContact O-N 3.3Å | ||
| 526 | S | 36.7 | Very low | 32.6 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 27.1 | -161.6 | 75.8 | 0 | 0 | 0 | 0 | 116.4 | ||
| 527 | S | 34.6 | Very low | 33 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 1.9 | -174.5 | -171.8 | 0 | 0 | 0 | 0 | 114.8 | N525 | N525-S527 VanDerWaalsContact C-N 3.27Å; N525-S527 PolarHBondContact O-N 3.3Å |
| 528 | M | 38.3 | Very low | 33.3 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -111.1 | -0.1 | -176.4 | -79.5 | -179.8 | 73.1 | 0 | 0 | 115.9 | ||
| 529 | D | 39.8 | Very low | 33.7 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 62% | 0.62 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -96.7 | -13.7 | -174.4 | -80.5 | -38.8 | 0 | 0 | 0 | 116.2 | K531 K532 S533 | D529-K531 PolarHBondContact O-N 2.83Å; D529-K532 PolarHBondContact O-N 3.05Å; D529-S533 WeakPolarHBondContact O-CB 3.14Å; D529-S533 PolarHBondContact O-N 3.32Å |
| 530 | F | 36.6 | Very low | 33.9 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -71.3 | -32.7 | 179.8 | -153.8 | -98.1 | 0 | 0 | 0 | 112.9 | L534 | F530-L534 HydrophobicContact CD1-CD1 3.93Å; F530-L534 HydrophobicContact CE1-CD1 3.61Å; F530-L534 HydrophobicContact CZ-CD1 4.42Å; F530-L534 PolarHBondContact O-N 3.11Å |
| 531 | K | 36.8 | Very low | 34.6 | Very low | 182 Ų | 182 | 137.6 Ų | 137.6 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -77.3 | -29.5 | 176.7 | -77.9 | -174.4 | 176.4 | -178.8 | 0 | 113.3 | D529 Y535 | D529-K531 PolarHBondContact O-N 2.83Å; K531-Y535 PolarHBondContact O-N 3.48Å |
| 532 | K | 36.7 | Very low | 35.1 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 65% | 0.652 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -75 | -34.9 | 173.6 | -82.3 | -176.3 | 174.9 | -178.2 | 0 | 112 | D529 Y535 A536 | D529-K532 PolarHBondContact O-N 3.05Å; K532-Y535 PolarHBondContact O-N 3.21Å; K532-A536 WeakPolarHBondContact O-CB 3.44Å; K532-A536 PolarHBondContact O-N 3.42Å |
| 533 | S | 40.2 | Very low | 35.3 | Very low | 86 Ų | 86 | 141.4 Ų | 141.4 | 60% | 0.601 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -68.3 | -33.3 | 176.7 | -156.5 | 0 | 0 | 0 | 0 | 113 | D529 F537 | D529-S533 WeakPolarHBondContact O-CB 3.14Å; D529-S533 PolarHBondContact O-N 3.32Å; S533-F537 PolarHBondContact O-N 3.3Å |
| 534 | L | 36.8 | Very low | 35.8 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 56% | 0.56 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -75.5 | -30 | 173.1 | -105.9 | 132 | 0 | 0 | 0 | 113 | F530 | F530-L534 HydrophobicContact CD1-CD1 3.93Å; F530-L534 HydrophobicContact CE1-CD1 3.61Å; F530-L534 HydrophobicContact CZ-CD1 4.42Å; F530-L534 PolarHBondContact O-N 3.11Å |
| 535 | Y | 35.2 | Very low | 36.1 | Very low | 174 Ų | 174 | 140.3 Ų | 140.3 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -73.6 | -33.2 | 174 | -123.3 | -89.6 | 0 | 0 | 0 | 112.4 | K531 K532 F537 C538 L539 | K531-Y535 PolarHBondContact O-N 3.48Å; K532-Y535 PolarHBondContact O-N 3.21Å; Y535-F537 VanDerWaalsContact C-N 3.32Å; Y535-C538 PolarHBondContact O-N 3.03Å; Y535-L539 HydrophobicContact CD1-CD1 3.96Å; Y535-L539 HydrophobicContact CE1-CD1 4.3Å |
| 536 | A | 38.8 | Very low | 36.4 | Very low | 68 Ų | 68 | 145.1 Ų | 145.1 | 56% | 0.562 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -69.2 | -28.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K532 C538 | K532-A536 WeakPolarHBondContact O-CB 3.44Å; K532-A536 PolarHBondContact O-N 3.42Å; A536-C538 VanDerWaalsContact C-N 3.32Å; A536-C538 PolarHBondContact O-N 3.32Å |
| 537 | F | 34.1 | Very low | 36.4 | Very low | 188 Ų | 188 | 146.5 Ų | 146.5 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -16.5 | 178.2 | -156.6 | -98.6 | 0 | 0 | 0 | 113.8 | S533 Y535 | S533-F537 PolarHBondContact O-N 3.3Å; Y535-F537 VanDerWaalsContact C-N 3.32Å |
| 538 | C | 34.8 | Very low | 36.5 | Very low | 97 Ų | 97 | 148.6 Ų | 148.6 | 66% | 0.655 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -2.4 | -178.9 | -80.9 | 0 | 0 | 0 | 0 | 114.9 | Y535 A536 | Y535-C538 PolarHBondContact O-N 3.03Å; A536-C538 VanDerWaalsContact C-N 3.32Å; A536-C538 PolarHBondContact O-N 3.32Å |
| 539 | L | 35.1 | Very low | 36.4 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | trans | -114.4 | -1 | -174.2 | -83.3 | 168.4 | 0 | 0 | 0 | 115.7 | Y535 T541 | Y535-L539 HydrophobicContact CD1-CD1 3.96Å; Y535-L539 HydrophobicContact CE1-CD1 4.3Å; L539-T541 PolarHBondContact O-N 2.79Å | ||
| 540 | D | 33.3 | Very low | 36.2 | Very low | 160 Ų | 160 | 150.1 Ų | 150.1 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -78.8 | 19.5 | 176.5 | -151.1 | 26.6 | 0 | 0 | 0 | 113.9 | ||
| 541 | T | 39.3 | Very low | 36.2 | Very low | 118 Ų | 118 | 148.7 Ų | 148.7 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -123 | 73.3 | 169.3 | 47.6 | 0 | 0 | 0 | 0 | 109.4 | L539 | L539-T541 PolarHBondContact O-N 2.79Š|
| 542 | R | 37.1 | Very low | 36.1 | Very low | 224 Ų | 224 | 146.5 Ų | 146.5 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | -178.2 | 132.6 | 144.1 | -102.5 | 162.9 | -171.9 | -166.8 | 1.4 | 113 | ||||
| 543 | E | 33.8 | Very low | 36.1 | Very low | 180 Ų | 180 | 146.2 Ų | 146.2 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | trans | 88 | 92.4 | 151.8 | -69 | 175.1 | 174.1 | 0 | 0 | 119.1 | ||||
| 544 | T | 36 | Very low | 35.8 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | trans | -63.2 | 147.3 | 131 | 44.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 545 | D | 37.7 | Very low | 35.7 | Very low | 151 Ų | 151 | 154.5 Ų | 154.5 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | 79.3 | 94.5 | 162.6 | -60.4 | -21.5 | 0 | 0 | 0 | 120.2 | ||||
| 546 | L | 33.3 | Very low | 35.7 | Very low | 248 Ų | 248 | 152.7 Ų | 152.7 | 100% | 1.298 | 80% | 0.801 | S | S | * | * | -164.9 | 0 | 121.8 | -107.1 | 160.7 | 0 | 0 | 0 | 112.7 |
Retrieved 546 of 546 residues in 304.1 ms
(Link to these results)