| 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 | 36.5 | Very low | 43.6 | Very low | 238 Ų | 238 | 134.7 Ų | 134.7 | 100% | 1.172 | 83% | 0.827 | S | S | * | * | 0 | 128.7 | 0 | -68 | 160.8 | 153.1 | 0 | 0 | 107.6 | |||||
| 2 | S | 35.9 | Very low | 42.7 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | cis | -155.9 | 160 | -17 | -72.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 3 | T | 42.4 | Very low | 41.9 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | trans | -128.9 | -175 | -177.9 | 49.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 4 | P | 70.7 | Confident | 41.1 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 75% | 0.747 | 82% | 0.823 | S | S | * | * | -103.5 | -85.1 | -50.5 | 29.8 | -13 | 0 | 0 | 0 | 107.8 | |||||
| 5 | P | 64.4 | Low | 40.3 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 71% | 0.714 | 81% | 0.812 | S | S | * | * | -83.1 | -164.5 | -57.3 | 43.8 | -34.8 | 0 | 0 | 0 | 110.2 | |||||
| 6 | S | 40.7 | Very low | 39.7 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | cis | -164.6 | 164 | -10.9 | 24.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 7 | G | 33.3 | Very low | 39.1 | Very low | 73 Ų | 73 | 140.1 Ų | 140.1 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | cis | 179.6 | 171.5 | -1.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 8 | L | 36.8 | Very low | 39 | Very low | 171 Ų | 171 | 141.7 Ų | 141.7 | 90% | 0.895 | 82% | 0.816 | S | S | * | * | trans | -91.7 | 161.6 | 170.7 | -65.8 | 169.3 | 0 | 0 | 0 | 110.4 | ||||
| 9 | P | 50.4 | Low | 38.3 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | -145.7 | 170.3 | 100.9 | 37.7 | -22.2 | 0 | 0 | 0 | 113.9 | |||||
| 10 | E | 34.2 | Very low | 38.1 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | cis | -161.3 | -176.5 | -21.1 | -108.1 | 168.9 | 114.7 | 0 | 0 | 108.8 | ||||
| 11 | S | 34.5 | Very low | 37.8 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -102.2 | 158.1 | -178.8 | 52.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 12 | S | 32.1 | Very low | 37.4 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | -156.3 | 144.5 | 160 | -173.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 13 | D | 33 | Very low | 37.1 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | -92.9 | 161.8 | -179.9 | -54.9 | -91.3 | 0 | 0 | 0 | 114.3 | ||||
| 14 | F | 31 | Very low | 36.4 | Very low | 192 Ų | 192 | 133.3 Ų | 133.3 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | 168.5 | 129.8 | 129.8 | -107 | -119.4 | 0 | 0 | 0 | 108.5 | |||||
| 15 | V | 28.9 | Very low | 34.3 | Very low | 108 Ų | 108 | 135 Ų | 135 | 66% | 0.655 | 77% | 0.772 | S | S | * | * | cis | 82.1 | 98.2 | 48.1 | 177.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 16 | S | 30.7 | Very low | 32.6 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | 162.8 | 128.5 | 146.8 | -75.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 17 | R | 30 | Very low | 31.9 | Very low | 232 Ų | 232 | 138.5 Ų | 138.5 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | 80.8 | 149.2 | 54.6 | -74 | -166.6 | 179.1 | -149.5 | 2.1 | 114 | |||||
| 18 | I | 36.7 | Very low | 31.6 | Very low | 169 Ų | 169 | 144.3 Ų | 144.3 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | trans | 77.7 | 119.1 | -170.7 | -49.9 | 163.9 | 0 | 0 | 0 | 112.1 | ||||
| 19 | G | 26 | Very low | 31.1 | Very low | 58 Ų | 58 | 141.3 Ų | 141.3 | 60% | 0.598 | 76% | 0.761 | S | S | * | * | cis | 100.5 | 107.4 | -14.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 20 | M | 33.8 | Very low | 29.8 | Very low | 166 Ų | 166 | 146.3 Ų | 146.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -168.1 | 118.6 | 154 | -77 | -60 | 92.4 | 0 | 0 | 104.8 | ||||
| 21 | T | 32.5 | Very low | 29.4 | Very low | 98 Ų | 98 | 142.2 Ų | 142.2 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | 53.5 | 110.9 | 77.5 | 65.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 22 | E | 28 | Very low | 29 | Very low | 171 Ų | 171 | 147.4 Ų | 147.4 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | 101.4 | 139.7 | 52.5 | -85.1 | 175 | 135 | 0 | 0 | 112.8 | |||||
| 23 | D | 28.8 | Very low | 28.7 | Very low | 129 Ų | 129 | 147.1 Ų | 147.1 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | trans | 45 | 123 | 159.5 | -68.5 | -8.6 | 0 | 0 | 0 | 124.3 | ||||
| 24 | S | 27.5 | Very low | 28.2 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | -150.6 | 125.2 | 125.9 | -69.8 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 25 | L | 26.4 | Very low | 27.9 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | 55.2 | 135.5 | 57.4 | -54 | 177.2 | 0 | 0 | 0 | 110.9 | |||||
| 26 | V | 28.7 | Very low | 27.9 | Very low | 135 Ų | 135 | 146.4 Ų | 146.4 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | cis | -141.9 | 162.7 | 29.6 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 27 | F | 26.2 | Very low | 28.4 | Very low | 167 Ų | 167 | 145.8 Ų | 145.8 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | trans | -50.8 | 159.1 | 164.8 | -88.8 | -126.4 | 0 | 0 | 0 | 113.9 | ||||
| 28 | H | 28.3 | Very low | 28.3 | Very low | 195 Ų | 195 | 145.5 Ų | 145.5 | 90% | 0.903 | 75% | 0.75 | S | S | * | * | -141.3 | 154.3 | 128.9 | -126.4 | -80.5 | 0 | 0 | 0 | 111.8 | |||||
| 29 | E | 24.8 | Very low | 27.8 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 50% | 0.5 | 74% | 0.743 | S | S | . | * | trans | -140.9 | 150.5 | -151.3 | -162.6 | -150.9 | 109.5 | 0 | 0 | 112.1 | ||||
| 30 | R | 24.5 | Very low | 28 | Very low | 213 Ų | 213 | 146.7 Ų | 146.7 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | 63.3 | 161.7 | 170.1 | -80.3 | 173.9 | 179 | 131.2 | -2.9 | 116.1 | ||||
| 31 | T | 25 | Very low | 27.7 | Very low | 102 Ų | 102 | 144.5 Ų | 144.5 | 63% | 0.626 | 75% | 0.745 | S | S | * | * | cis | -134.2 | -179.1 | -14.1 | 22 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 32 | R | 25.8 | Very low | 27.7 | Very low | 223 Ų | 223 | 147.3 Ų | 147.3 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | cis | -156.6 | -176.7 | 18.6 | -147.1 | 164.8 | -69.1 | 179.2 | 0.6 | 111.2 | ||||
| 33 | C | 25.3 | Very low | 27.8 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 78% | 0.777 | 75% | 0.753 | S | S | * | * | trans | -110.2 | 163.8 | 160.7 | -161.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 34 | S | 23.8 | Very low | 27.9 | Very low | 107 Ų | 107 | 149.4 Ų | 149.4 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -162.8 | 147.9 | 165.1 | -162.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 35 | E | 25.3 | Very low | 28 | Very low | 163 Ų | 163 | 148.8 Ų | 148.8 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | -97.8 | 151.6 | -167.8 | -50 | 107.3 | 121.2 | 0 | 0 | 116.4 | ||||
| 36 | D | 27.2 | Very low | 27.9 | Very low | 154 Ų | 154 | 148.6 Ų | 148.6 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | 37.6 | 170.3 | 126.1 | -70.1 | 3.1 | 0 | 0 | 0 | 123.7 | |||||
| 37 | P | 41.9 | Very low | 28.2 | Very low | 96 Ų | 96 | 149 Ų | 149 | 62% | 0.623 | 75% | 0.751 | S | S | * | * | cis | -129.6 | -120.9 | -25.5 | 33.6 | -12.9 | 0 | 0 | 0 | 112.4 | ||||
| 38 | W | 27.2 | Very low | 28.3 | Very low | 225 Ų | 225 | 149.8 Ų | 149.8 | 85% | 0.852 | 76% | 0.757 | S | S | * | * | trans | 71 | 138.4 | -177.6 | -40.6 | 96.8 | 0 | 0 | 0 | 115.7 | ||||
| 39 | D | 26.2 | Very low | 28.2 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | cis | -154.4 | 166.9 | -10.4 | -141.9 | -23.9 | 0 | 0 | 0 | 111.6 | ||||
| 40 | T | 31.2 | Very low | 28.2 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 73% | 0.73 | 76% | 0.759 | S | S | * | * | trans | -97.1 | 126.6 | -179.4 | -55.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 41 | V | 28.4 | Very low | 28.4 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -136.7 | 108.6 | 169.4 | 175.9 | 0 | 0 | 0 | 0 | 111 | I43 | V41-I43 HydrophobicContact CG1-CD1 3.98Å; V41-I43 HydrophobicContact CG1-CG1 3.91Å; V41-I43 PolarHBondContact O-N 3.48Å | ||
| 42 | D | 31.4 | Very low | 28.6 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | trans | -78.2 | 109.8 | 168.5 | -100.9 | -64.8 | 0 | 0 | 0 | 110.9 | ||||
| 43 | I | 29.3 | Very low | 28.6 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 73% | 0.728 | 76% | 0.76 | S | S | * | * | trans | -136.3 | 119.3 | 162.9 | -62.6 | 176.9 | 0 | 0 | 0 | 109.6 | V41 | V41-I43 HydrophobicContact CG1-CD1 3.98Å; V41-I43 HydrophobicContact CG1-CG1 3.91Å; V41-I43 PolarHBondContact O-N 3.48Å | ||
| 44 | K | 31.2 | Very low | 28.7 | Very low | 203 Ų | 203 | 140.9 Ų | 140.9 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -137.3 | 118.1 | 167.2 | -176 | 179.1 | -175.9 | 176.8 | 0 | 110 | ||||
| 45 | P | 30.8 | Very low | 28.8 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | trans | -141.5 | 155.9 | 134.5 | 37.6 | -25.4 | 0 | 0 | 0 | 113.4 | ||||
| 46 | N | 23.6 | Very low | 29.2 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | 59.1 | 138.5 | 169.7 | -81.6 | 18.2 | 0 | 0 | 0 | 117.2 | ||||
| 47 | I | 35.2 | Very low | 29.6 | Very low | 143 Ų | 143 | 142 Ų | 142 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | cis | 60 | 70.7 | 26.7 | -37.5 | 178.7 | 0 | 0 | 0 | 112.6 | ||||
| 48 | E | 27.1 | Very low | 29.4 | Very low | 183 Ų | 183 | 145.1 Ų | 145.1 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | -178.8 | 154.2 | 113.4 | -95.5 | -171 | 169.8 | 0 | 0 | 111.8 | |||||
| 49 | A | 27 | Very low | 29.7 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | 63.3 | 133.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 50 | L | 26 | Very low | 30.1 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | trans | 85.2 | 127.6 | 171 | -119.8 | 58.2 | 0 | 0 | 0 | 115.2 | R52 | L50-R52 HydrophobicContact CD1-CG 4.27Š| ||
| 51 | E | 27.1 | Very low | 30.5 | Very low | 167 Ų | 167 | 138.7 Ų | 138.7 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | cis | -124.3 | 138.4 | 24.5 | -66.4 | 174.1 | 134.9 | 0 | 0 | 112.8 | ||||
| 52 | R | 29.6 | Very low | 31 | Very low | 197 Ų | 197 | 140.6 Ų | 140.6 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | 37.2 | 95 | 93.1 | -58.4 | -164.2 | -160.7 | 98 | -0.5 | 115.5 | L50 | L50-R52 HydrophobicContact CD1-CG 4.27Š| |||
| 53 | G | 25.2 | Very low | 31.3 | Very low | 74 Ų | 74 | 140.8 Ų | 140.8 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | trans | -178.7 | 83.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 54 | A | 28.3 | Very low | 31.9 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 90% | 0.901 | 77% | 0.767 | S | S | * | * | trans | 52.9 | 140.6 | 155.8 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 55 | G | 26.8 | Very low | 32.5 | Very low | 71 Ų | 71 | 139.2 Ų | 139.2 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | trans | 82.8 | 79.6 | 142.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | Y57 | G55-Y57 PolarHBondContact O-N 3.26Š| ||
| 56 | L | 33.1 | Very low | 32.6 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | trans | -73 | 74.8 | 159.4 | -70.9 | 176.3 | 0 | 0 | 0 | 111 | L58 | L56-L58 PolarHBondContact O-N 3.37Š| ||
| 57 | Y | 36.1 | Very low | 33.5 | Very low | 205 Ų | 205 | 142.7 Ų | 142.7 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -79.5 | 92.2 | 166.3 | -172.3 | -93.7 | 0 | 0 | 0 | 108.8 | G55 S59 | G55-Y57 PolarHBondContact O-N 3.26Å; Y57-S59 PolarHBondContact O-N 3.05Å | ||
| 58 | L | 35.8 | Very low | 33.2 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -69 | 103.7 | -179.4 | -133.9 | 72.8 | 0 | 0 | 0 | 109.6 | L56 | L56-L58 PolarHBondContact O-N 3.37Š| ||
| 59 | S | 35.4 | Very low | 33.6 | Very low | 64 Ų | 64 | 139.6 Ų | 139.6 | 45% | 0.448 | 78% | 0.782 | S | S | . | * | trans | -81.8 | 144.7 | -175.1 | -163.8 | 0 | 0 | 0 | 0 | 111.7 | Y57 Y61 | Y57-S59 PolarHBondContact O-N 3.05Å; S59-Y61 PolarHBondContact O-N 3.39Å; S59-Y61 WeakPolarHBondContact OG-CD2 3.42Å | ||
| 60 | C | 32.9 | Very low | 34.2 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -76.4 | 23.7 | -164.7 | 52.3 | 0 | 0 | 0 | 0 | 116.7 | ||
| 61 | Y | 40.4 | Very low | 34.3 | Very low | 171 Ų | 171 | 144 Ų | 144 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -86.3 | -17.5 | -167.3 | -82.8 | -96.2 | 0 | 0 | 0 | 116 | S59 M63 | S59-Y61 PolarHBondContact O-N 3.39Å; S59-Y61 WeakPolarHBondContact OG-CD2 3.42Å; Y61-M63 PolarHBondContact O-N 2.86Å; Y61-M63 VanDerWaalsContact O-N 3.09Å |
| 62 | D | 37.9 | Very low | 34.5 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -70.3 | -1.5 | 179.2 | -74.1 | -47.4 | 0 | 0 | 0 | 114.5 | ||
| 63 | M | 38.9 | Very low | 34.7 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -99.5 | 17.7 | -175 | -146.5 | -169.2 | -49.4 | 0 | 0 | 114.6 | Y61 | Y61-M63 PolarHBondContact O-N 2.86Å; Y61-M63 VanDerWaalsContact O-N 3.09Å |
| 64 | L | 41.7 | Very low | 35 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -118.5 | 4.8 | 177.6 | -69.1 | 176.8 | 0 | 0 | 0 | 114.5 | T66 | L64-T66 PolarHBondContact O-N 2.95Š| ||
| 65 | L | 43.1 | Very low | 35 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -82.9 | 99.1 | 159.4 | -93.4 | 75.5 | 0 | 0 | 0 | 109.4 | ||||
| 66 | T | 34.1 | Very low | 35.1 | Very low | 132 Ų | 132 | 147.2 Ų | 147.2 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -133.8 | 125.4 | 150.7 | -54.3 | 0 | 0 | 0 | 0 | 107.2 | L64 | L64-T66 PolarHBondContact O-N 2.95Š| ||
| 67 | E | 42 | Very low | 34.9 | Very low | 185 Ų | 185 | 148.1 Ų | 148.1 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -74.1 | 140 | -176.7 | -59.7 | 162.8 | 115.3 | 0 | 0 | 110.1 | ||||
| 68 | D | 29.8 | Very low | 34.6 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | -157.9 | 142.7 | 111.6 | -137.5 | -32.1 | 0 | 0 | 0 | 111.4 | |||||
| 69 | A | 34.3 | Very low | 34.4 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | trans | -133.8 | 78.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 70 | A | 38.9 | Very low | 34.1 | Very low | 70 Ų | 70 | 143 Ų | 143 | 58% | 0.579 | 80% | 0.8 | S | S | * | * | trans | -114.8 | 157.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 71 | W | 28.2 | Very low | 33.8 | Very low | 243 Ų | 243 | 143 Ų | 143 | 92% | 0.92 | 81% | 0.807 | S | S | * | * | trans | 74.4 | 56 | 177.7 | -45.8 | 111.9 | 0 | 0 | 0 | 117.3 | ||||
| 72 | V | 32 | Very low | 33.3 | Very low | 141 Ų | 141 | 143 Ų | 143 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | -95.2 | 113.2 | 147.6 | 178.1 | 0 | 0 | 0 | 0 | 108.7 | K74 | V72-K74 PolarHBondContact O-N 3.26Š| ||
| 73 | V | 34.2 | Very low | 32.8 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | -77.5 | 114.3 | 174.1 | 175.2 | 0 | 0 | 0 | 0 | 109.2 | V75 | V73-V75 PolarHBondContact O-N 3.36Š| ||
| 74 | K | 30.5 | Very low | 32.4 | Very low | 186 Ų | 186 | 139 Ų | 139 | 81% | 0.809 | 82% | 0.819 | S | S | * | * | trans | -81.6 | 98.8 | 179.7 | -176.2 | 175.8 | 179.3 | 175.9 | 0 | 111 | V72 | V72-K74 PolarHBondContact O-N 3.26Š| ||
| 75 | V | 28.3 | Very low | 32.1 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | -67.3 | 136.4 | 159.9 | 179.2 | 0 | 0 | 0 | 0 | 108.2 | V73 | V73-V75 PolarHBondContact O-N 3.36Š| ||
| 76 | S | 29.7 | Very low | 31.4 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 71% | 0.706 | 82% | 0.82 | S | S | * | * | trans | -116.5 | 125.4 | 177.6 | -166.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 77 | E | 29.8 | Very low | 31.1 | Very low | 191 Ų | 191 | 137.1 Ų | 137.1 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -77.1 | 155 | 170 | -63.9 | -174.3 | 121.2 | 0 | 0 | 111.4 | ||||
| 78 | G | 29.8 | Very low | 30.4 | Very low | 81 Ų | 81 | 139.1 Ų | 139.1 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -167.3 | 126.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 79 | S | 30.9 | Very low | 30.1 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | trans | -120.6 | 147.9 | -150 | -158 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 80 | T | 28.9 | Very low | 29.7 | Very low | 136 Ų | 136 | 140.5 Ų | 140.5 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | 51.6 | 122.3 | 154.4 | 47.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 81 | A | 26.7 | Very low | 29.1 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | trans | -147.3 | 164.9 | 142.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 82 | L | 30.6 | Very low | 29 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -123.2 | 156.1 | -165.1 | -82.4 | 163.1 | 0 | 0 | 0 | 115.2 | ||||
| 83 | A | 27.1 | Very low | 28.8 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | 79.4 | 163.7 | 153.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 84 | V | 29.6 | Very low | 28.6 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -144.2 | 138.7 | -160.2 | 170.3 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 85 | P | 35.4 | Very low | 28.8 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | -156.3 | 153 | 71.1 | 40.7 | -18.6 | 0 | 0 | 0 | 121.2 | |||||
| 86 | M | 28.1 | Very low | 29.1 | Very low | 179 Ų | 179 | 139 Ų | 139 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | 18.4 | 125.7 | 137.6 | -153.4 | 179.3 | -156.3 | 0 | 0 | 121.7 | ||||
| 87 | S | 27.6 | Very low | 29 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | 174.2 | 145.7 | 117.1 | 50.7 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 88 | R | 27.6 | Very low | 29 | Very low | 228 Ų | 228 | 138.9 Ų | 138.9 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | 65.5 | 122.3 | 161.2 | -72.3 | 176.6 | 167.6 | 147.7 | -1.4 | 118.9 | ||||
| 89 | M | 24.4 | Very low | 29.3 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | 84 | 126.2 | 52.7 | 176.8 | -176.9 | -179.4 | 0 | 0 | 110.9 | |||||
| 90 | D | 26.4 | Very low | 29.7 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | cis | -150.3 | -168.6 | 13.1 | -147.3 | 49.5 | 0 | 0 | 0 | 110 | ||||
| 91 | S | 26.4 | Very low | 30 | Very low | 84 Ų | 84 | 143.3 Ų | 143.3 | 59% | 0.587 | 79% | 0.785 | S | S | * | * | cis | -159.6 | 162 | 11.1 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 92 | R | 24.9 | Very low | 30.4 | Very low | 215 Ų | 215 | 144.7 Ų | 144.7 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | 62.1 | 147.7 | 138.1 | -82.4 | -179.6 | 103.8 | 139.7 | 1.7 | 121.9 | ||||
| 93 | E | 27.5 | Very low | 31.1 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | cis | -134.3 | 165.6 | -0.8 | -64.5 | -156.1 | 111.5 | 0 | 0 | 112.9 | ||||
| 94 | E | 29.8 | Very low | 31.3 | Very low | 152 Ų | 152 | 144 Ų | 144 | 71% | 0.71 | 76% | 0.764 | S | S | * | * | trans | -110.3 | 164 | 168.9 | -158.8 | -162.2 | 109.6 | 0 | 0 | 109.8 | E96 | E94-E96 WeakPolarHBondContact OE1-CA 3.21Å; E94-E96 PolarHBondContact OE1-N 3.06Å | ||
| 95 | P | 36.3 | Very low | 31.7 | Very low | 121 Ų | 121 | 147 Ų | 147 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | -148.2 | 116.2 | 117.2 | 34.3 | -16.6 | 0 | 0 | 0 | 116.6 | |||||
| 96 | E | 33.6 | Very low | 31.7 | Very low | 142 Ų | 142 | 147.9 Ų | 147.9 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | 65.5 | 149.2 | 118 | -78.2 | -158.7 | -173.4 | 0 | 0 | 124.3 | E94 | E94-E96 WeakPolarHBondContact OE1-CA 3.21Å; E94-E96 PolarHBondContact OE1-N 3.06Å | |||
| 97 | Q | 28.1 | Very low | 32.4 | Very low | 166 Ų | 166 | 143.2 Ų | 143.2 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | 81.3 | 92.6 | 153.1 | -73.6 | 163.8 | 45.7 | 0 | 0 | 120.4 | ||||
| 98 | C | 28.5 | Very low | 32.8 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 143.5 | 150.4 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 99 | P | 36.7 | Very low | 33.2 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 128.4 | 159.3 | 32.9 | -28.8 | 0 | 0 | 0 | 111.2 | ||
| 100 | V | 39.8 | Very low | 34.3 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 129 | 168.5 | 175.3 | 0 | 0 | 0 | 0 | 109 | ||
| 101 | I | 35.6 | Very low | 35.1 | Very low | 158 Ų | 158 | 135.3 Ų | 135.3 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | -136.9 | 144.4 | 166.7 | -58.8 | -176.9 | 0 | 0 | 0 | 109.4 | ||||
| 102 | D | 33.6 | Very low | 35.9 | Very low | 135 Ų | 135 | 138 Ų | 138 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | -54.2 | 140 | -166.7 | -96.6 | -72.7 | 0 | 0 | 0 | 119 | ||||
| 103 | S | 45.8 | Very low | 36.5 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | 32.7 | 106.2 | 116.5 | -43.2 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 104 | Q | 32.3 | Very low | 37.2 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 73% | 0.729 | 75% | 0.747 | S | S | * | * | trans | -142.8 | 97.7 | 146.9 | -165.6 | 164.1 | 4.4 | 0 | 0 | 111.6 | H106 | Q104-H106 VanDerWaalsContact CD-CE1 3.48Å; Q104-H106 PolarHBondContact NE2-CE1 2.77Å; Q104-H106 PolarHBondContact NE2-NE2 2.69Å; Q104-H106 PolarHBondContact O-N 3.09Å | ||
| 105 | E | 37.3 | Very low | 37.6 | Very low | 199 Ų | 199 | 128.4 Ų | 128.4 | 93% | 0.93 | 74% | 0.739 | S | S | * | * | trans | -67.7 | 98.8 | 172.9 | -68.8 | -169.5 | 139.6 | 0 | 0 | 111 | ||||
| 106 | H | 35.8 | Very low | 37.9 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 63% | 0.634 | 74% | 0.737 | S | S | * | * | trans | -103 | 100 | 158 | -72 | 125.2 | 0 | 0 | 0 | 108.7 | Q104 L108 | Q104-H106 VanDerWaalsContact CD-CE1 3.48Å; Q104-H106 PolarHBondContact NE2-CE1 2.77Å; Q104-H106 PolarHBondContact NE2-NE2 2.69Å; Q104-H106 PolarHBondContact O-N 3.09Å; H106-L108 PolarHBondContact O-N 2.93Å | ||
| 107 | G | 43.3 | Very low | 38.6 | Very low | 82 Ų | 82 | 129 Ų | 129 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | trans | -61.8 | 108.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 108 | L | 35 | Very low | 39.8 | Very low | 160 Ų | 160 | 125.8 Ų | 125.8 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 131.4 | 170.8 | -68.6 | 175.1 | 0 | 0 | 0 | 109.6 | H106 | H106-L108 PolarHBondContact O-N 2.93Š|
| 109 | S | 37 | Very low | 41.2 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 78% | 0.783 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 127.2 | -170.6 | -50.9 | 0 | 0 | 0 | 0 | 112.9 | G111 | S109-G111 PolarHBondContact O-N 3.06Š|
| 110 | P | 46.8 | Very low | 42.7 | Very low | 135 Ų | 135 | 125.3 Ų | 125.3 | 88% | 0.877 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -69.9 | 116.1 | 164.3 | 29.3 | -31.9 | 0 | 0 | 0 | 108.9 | ||
| 111 | G | 43.5 | Very low | 44.1 | Very low | 49 Ų | 49 | 124.3 Ų | 124.3 | 51% | 0.505 | 69% | 0.687 | S | S | . | * | trans | 164.4 | 3.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | S109 | S109-G111 PolarHBondContact O-N 3.06Š| ||
| 112 | L | 43.2 | Very low | 45.7 | Very low | 141 Ų | 141 | 122.5 Ų | 122.5 | 74% | 0.738 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -106.8 | -27.5 | -179.4 | -74.6 | 173.9 | 0 | 0 | 0 | 115.2 | ||
| 113 | E | 38 | Very low | 47.5 | Very low | 167 Ų | 167 | 120.7 Ų | 120.7 | 78% | 0.78 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -70.7 | -51.8 | 179.6 | -67.1 | 172.3 | 130.9 | 0 | 0 | 110.9 | Q115 M116 E117 | E113-Q115 PolarHBondContact O-N 3.22Å; E113-Q115 VanDerWaalsContact O-N 3.08Å; E113-M116 PolarHBondContact O-N 2.9Å; E113-E117 PolarHBondContact O-N 2.83Å |
| 114 | G | 40.5 | Very low | 48.5 | Very low | 39 Ų | 39 | 119.9 Ų | 119.9 | 40% | 0.402 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -57.1 | -27 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | M116 E117 D118 | G114-M116 VanDerWaalsContact C-N 3.33Å; G114-M116 PolarHBondContact O-N 3.36Å; G114-E117 PolarHBondContact O-N 2.8Å; G114-D118 WeakPolarHBondContact O-CB 3.43Å; G114-D118 PolarHBondContact O-N 3.48Å |
| 115 | Q | 39.8 | Very low | 50.2 | Low | 113 Ų | 113 | 118.9 Ų | 118.9 | 53% | 0.528 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -73.3 | -19.4 | 175.3 | -81 | -159.3 | 18.2 | 0 | 0 | 114.4 | E113 R119 | E113-Q115 PolarHBondContact O-N 3.22Å; E113-Q115 VanDerWaalsContact O-N 3.08Å; Q115-R119 WeakPolarHBondContact O-CG 3.34Å |
| 116 | M | 42.2 | Very low | 51.9 | Low | 150 Ų | 150 | 112.7 Ų | 112.7 | 74% | 0.739 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -83 | -40.2 | 170.7 | -77.6 | -167.9 | 160.2 | 0 | 0 | 111.2 | E113 G114 S120 | E113-M116 PolarHBondContact O-N 2.9Å; G114-M116 VanDerWaalsContact C-N 3.33Å; G114-M116 PolarHBondContact O-N 3.36Å; M116-S120 WeakPolarHBondContact O-CB 3.44Å; M116-S120 PolarHBondContact O-N 2.82Å; M116-S120 VanDerWaalsContact O-N 3.11Å; M116-S120 PolarHBondContact O-OG 3.2Å |
| 117 | E | 47.3 | Very low | 53.7 | Low | 126 Ų | 126 | 110.5 Ų | 110.5 | 59% | 0.589 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.1 | -48.9 | 179.7 | -62.5 | 179.9 | 140.5 | 0 | 0 | 111.5 | E113 G114 R119 S120 L121 | E113-E117 PolarHBondContact O-N 2.83Å; G114-E117 PolarHBondContact O-N 2.8Å; E117-R119 VanDerWaalsContact C-N 3.34Å; E117-R119 PolarHBondContact O-N 3.39Å; E117-S120 CarbonylContact O-C 3.34Å; E117-S120 WeakPolarHBondContact O-CA 3.49Å; E117-S120 WeakPolarHBondContact O-CB 3.22Å; E117-S120 PolarHBondContact O-N 3.1Å; E117-L121 WeakPolarHBondContact O-CG 3.36Å; E117-L121 PolarHBondContact O-N 3.43Å |
| 118 | D | 53.5 | Low | 55.4 | Low | 99 Ų | 99 | 110.2 Ų | 110.2 | 53% | 0.529 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -55.1 | -45.3 | 177.6 | -173.7 | 44.8 | 0 | 0 | 0 | 111.9 | G114 S120 L121 E122 | G114-D118 WeakPolarHBondContact O-CB 3.43Å; G114-D118 PolarHBondContact O-N 3.48Å; D118-S120 VanDerWaalsContact C-N 3.33Å; D118-S120 PolarHBondContact O-N 2.92Å; D118-L121 PolarHBondContact O-N 2.87Å; D118-E122 PolarHBondContact O-N 2.87Å |
| 119 | R | 57.9 | Low | 57.6 | Low | 161 Ų | 161 | 105.2 Ų | 105.2 | 61% | 0.608 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.1 | -31.1 | 174.3 | -73.7 | -175.6 | -178.4 | 167.8 | 10.6 | 114.1 | Q115 E117 Q123 | Q115-R119 WeakPolarHBondContact O-CG 3.34Å; E117-R119 VanDerWaalsContact C-N 3.34Å; E117-R119 PolarHBondContact O-N 3.39Å; R119-Q123 WeakPolarHBondContact O-CB 3.43Å; R119-Q123 PolarHBondContact O-N 3.09Å |
| 120 | S | 68.3 | Low | 59.5 | Low | 69 Ų | 69 | 101.2 Ų | 101.2 | 48% | 0.483 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.6 | -37.4 | 174.9 | -59.9 | 0 | 0 | 0 | 0 | 110.5 | M116 E117 D118 Q123 V124 | M116-S120 WeakPolarHBondContact O-CB 3.44Å; M116-S120 PolarHBondContact O-N 2.82Å; M116-S120 VanDerWaalsContact O-N 3.11Å; M116-S120 PolarHBondContact O-OG 3.2Å; E117-S120 CarbonylContact O-C 3.34Å; E117-S120 WeakPolarHBondContact O-CA 3.49Å; E117-S120 WeakPolarHBondContact O-CB 3.22Å; E117-S120 PolarHBondContact O-N 3.1Å; D118-S120 VanDerWaalsContact C-N 3.33Å; D118-S120 PolarHBondContact O-N 2.92Å; S120-Q123 PolarHBondContact O-N 2.86Å; S120-V124 WeakPolarHBondContact O-CG2 3.3Å; S120-V124 PolarHBondContact O-N 3.22Å |
| 121 | L | 69.8 | Low | 61.2 | Low | 119 Ų | 119 | 100 Ų | 100 | 62% | 0.623 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67 | -46.8 | 173.3 | -66.8 | 172 | 0 | 0 | 0 | 111.8 | E117 D118 Q123 V124 Q125 | E117-L121 WeakPolarHBondContact O-CG 3.36Å; E117-L121 PolarHBondContact O-N 3.43Å; D118-L121 PolarHBondContact O-N 2.87Å; L121-Q123 VanDerWaalsContact C-N 3.27Å; L121-Q123 PolarHBondContact O-N 3.27Å; L121-V124 PolarHBondContact O-N 3.1Å; L121-Q125 VanDerWaalsContact O-CB 3.3Å; L121-Q125 WeakPolarHBondContact O-CB 3.41Å; L121-Q125 PolarHBondContact O-N 2.84Å |
| 122 | E | 69.7 | Low | 63.3 | Low | 119 Ų | 119 | 100 Ų | 100 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -53.6 | -44 | 171.1 | -76.7 | -167.6 | 126.9 | 0 | 0 | 111.4 | D118 S126 | D118-E122 PolarHBondContact O-N 2.87Å; E122-S126 VanDerWaalsContact O-CB 3.32Å; E122-S126 WeakPolarHBondContact O-CB 3.41Å; E122-S126 PolarHBondContact O-N 2.88Å |
| 123 | Q | 71.6 | Confident | 65.3 | Low | 98 Ų | 98 | 96.4 Ų | 96.4 | 46% | 0.458 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.2 | -44.4 | 179.9 | -178.5 | 173.9 | -21.3 | 0 | 0 | 112.1 | R119 S120 L121 S126 M127 | R119-Q123 WeakPolarHBondContact O-CB 3.43Å; R119-Q123 PolarHBondContact O-N 3.09Å; S120-Q123 PolarHBondContact O-N 2.86Å; L121-Q123 VanDerWaalsContact C-N 3.27Å; L121-Q123 PolarHBondContact O-N 3.27Å; Q123-S126 PolarHBondContact O-N 3.17Å; Q123-M127 HydrophobicContact CG-SD 4.45Å; Q123-M127 WeakPolarHBondContact O-CG 3.39Å; Q123-M127 PolarHBondContact O-N 3.31Å |
| 124 | V | 66.3 | Low | 67.6 | Low | 87 Ų | 87 | 93 Ų | 93 | 53% | 0.527 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 176.5 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | S120 L121 S126 M127 V128 | S120-V124 WeakPolarHBondContact O-CG2 3.3Å; S120-V124 PolarHBondContact O-N 3.22Å; L121-V124 PolarHBondContact O-N 3.1Å; V124-S126 VanDerWaalsContact C-N 3.35Å; V124-S126 PolarHBondContact O-N 2.93Å; V124-M127 WeakPolarHBondContact O-CB 3.46Å; V124-M127 PolarHBondContact O-N 2.89Å; V124-M127 VanDerWaalsContact O-N 3.08Å; V124-V128 HydrophobicContact CG1-CG2 4.44Å; V124-V128 WeakPolarHBondContact O-CG2 3.26Å; V124-V128 PolarHBondContact O-N 3.27Å |
| 125 | Q | 67.2 | Low | 69.8 | Low | 135 Ų | 135 | 95.3 Ų | 95.3 | 63% | 0.631 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.7 | -45.6 | 176.3 | -170.9 | -177.7 | 22.5 | 0 | 0 | 111.4 | L121 M127 V128 V129 | L121-Q125 VanDerWaalsContact O-CB 3.3Å; L121-Q125 WeakPolarHBondContact O-CB 3.41Å; L121-Q125 PolarHBondContact O-N 2.84Å; Q125-M127 VanDerWaalsContact C-N 3.28Å; Q125-M127 PolarHBondContact O-N 3.03Å; Q125-V128 PolarHBondContact O-N 2.99Å; Q125-V129 WeakPolarHBondContact O-CB 3.43Å; Q125-V129 WeakPolarHBondContact O-CG2 3.28Å; Q125-V129 PolarHBondContact O-N 3.34Å |
| 126 | S | 74 | Confident | 72.2 | Confident | 68 Ų | 68 | 90.3 Ų | 90.3 | 48% | 0.476 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.1 | -25.9 | 176.3 | -175.9 | 0 | 0 | 0 | 0 | 113.5 | E122 Q123 V124 G130 | E122-S126 VanDerWaalsContact O-CB 3.32Å; E122-S126 WeakPolarHBondContact O-CB 3.41Å; E122-S126 PolarHBondContact O-N 2.88Å; Q123-S126 PolarHBondContact O-N 3.17Å; V124-S126 VanDerWaalsContact C-N 3.35Å; V124-S126 PolarHBondContact O-N 2.93Å; S126-G130 PolarHBondContact O-N 3.21Å |
| 127 | M | 72 | Confident | 74.3 | Confident | 91 Ų | 91 | 88.2 Ų | 88.2 | 45% | 0.448 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -74.1 | -48 | 172.9 | -80.1 | 179.7 | 50 | 0 | 0 | 111.4 | Q123 V124 Q125 G130 E131 | Q123-M127 HydrophobicContact CG-SD 4.45Å; Q123-M127 WeakPolarHBondContact O-CG 3.39Å; Q123-M127 PolarHBondContact O-N 3.31Å; V124-M127 WeakPolarHBondContact O-CB 3.46Å; V124-M127 PolarHBondContact O-N 2.89Å; V124-M127 VanDerWaalsContact O-N 3.08Å; Q125-M127 VanDerWaalsContact C-N 3.28Å; Q125-M127 PolarHBondContact O-N 3.03Å; M127-G130 CarbonylContact O-C 3.56Å; M127-G130 WeakPolarHBondContact O-CA 3.44Å; M127-G130 PolarHBondContact O-N 2.8Å; M127-G130 VanDerWaalsContact O-N 3.13Å; M127-E131 PolarHBondContact O-N 3.12Å |
| 128 | V | 79.2 | Confident | 76.2 | Confident | 77 Ų | 77 | 85.5 Ų | 85.5 | 47% | 0.467 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 178.3 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | V124 Q125 G130 E131 V132 | V124-V128 HydrophobicContact CG1-CG2 4.44Å; V124-V128 WeakPolarHBondContact O-CG2 3.26Å; V124-V128 PolarHBondContact O-N 3.27Å; Q125-V128 PolarHBondContact O-N 2.99Å; V128-G130 VanDerWaalsContact C-N 3.27Å; V128-G130 PolarHBondContact O-N 2.78Å; V128-E131 WeakPolarHBondContact O-CB 3.33Å; V128-E131 PolarHBondContact O-N 2.97Å; V128-V132 HydrophobicContact CG1-CG2 4.46Å; V128-V132 WeakPolarHBondContact O-CG2 3.39Å; V128-V132 PolarHBondContact O-N 3.4Å |
| 129 | V | 81.9 | Confident | 77.9 | Confident | 55 Ų | 55 | 80.8 Ų | 80.8 | 33% | 0.333 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.7 | -38.9 | 174.4 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | Q125 E131 L133 M217 | Q125-V129 WeakPolarHBondContact O-CB 3.43Å; Q125-V129 WeakPolarHBondContact O-CG2 3.28Å; Q125-V129 PolarHBondContact O-N 3.34Å; V129-E131 PolarHBondContact O-N 2.75Å; V129-L133 HydrophobicContact CG1-CD1 3.94Å; V129-L133 HydrophobicContact CG1-CG 4.45Å; V129-L133 WeakPolarHBondContact O-CB 3.44Å; V129-L133 WeakPolarHBondContact O-CD1 3.38Å; V129-L133 VanDerWaalsContact O-CG 3.23Å; V129-L133 WeakPolarHBondContact O-CG 3.49Å; V129-L133 PolarHBondContact O-N 3.37Å; V129-L133 VanDerWaalsContact O-N 3.09Å; V129-M217 HydrophobicContact CG1-CE 3.95Å; V129-M217 HydrophobicContact CG1-SD 4.18Å |
| 130 | G | 77.6 | Confident | 79.4 | Confident | 28 Ų | 28 | 74 Ų | 74 | 29% | 0.289 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -74.4 | 0.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S126 M127 V128 K134 | S126-G130 PolarHBondContact O-N 3.21Å; M127-G130 CarbonylContact O-C 3.56Å; M127-G130 WeakPolarHBondContact O-CA 3.44Å; M127-G130 PolarHBondContact O-N 2.8Å; M127-G130 VanDerWaalsContact O-N 3.13Å; V128-G130 VanDerWaalsContact C-N 3.27Å; V128-G130 PolarHBondContact O-N 2.78Å; G130-K134 WeakPolarHBondContact O-CE 3.42Å; G130-K134 WeakPolarHBondContact O-CG 3.47Å; G130-K134 PolarHBondContact O-NZ 3.43Å |
| 131 | E | 82.7 | Confident | 80.2 | Confident | 110 Ų | 110 | 77.2 Ų | 77.2 | 51% | 0.514 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -101.8 | -55.3 | 172.2 | -171.4 | 148 | -125.3 | 0 | 0 | 109.6 | M127 V128 V129 L133 K134 D135 | M127-E131 PolarHBondContact O-N 3.12Å; V128-E131 WeakPolarHBondContact O-CB 3.33Å; V128-E131 PolarHBondContact O-N 2.97Å; V129-E131 PolarHBondContact O-N 2.75Å; E131-L133 PolarHBondContact O-N 3.35Å; E131-L133 VanDerWaalsContact O-N 3.13Å; E131-K134 WeakPolarHBondContact O-CA 3.29Å; E131-K134 WeakPolarHBondContact O-CB 3.42Å; E131-K134 PolarHBondContact O-N 2.8Å; E131-D135 PolarHBondContact O-N 2.74Å; E131-D135 VanDerWaalsContact O-N 3.12Å |
| 132 | V | 85.9 | Confident | 81.1 | Confident | 48 Ų | 48 | 77.5 Ų | 77.5 | 29% | 0.291 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -48.7 | -41.6 | 172.4 | 171.2 | 0 | 0 | 0 | 0 | 112.6 | V128 K134 D135 I136 I210 | V128-V132 HydrophobicContact CG1-CG2 4.46Å; V128-V132 WeakPolarHBondContact O-CG2 3.39Å; V128-V132 PolarHBondContact O-N 3.4Å; V132-K134 VanDerWaalsContact C-N 3.32Å; V132-K134 PolarHBondContact O-N 3.02Å; V132-D135 PolarHBondContact O-N 3.12Å; V132-I136 HydrophobicContact CG1-CD1 3.97Å; V132-I136 WeakPolarHBondContact O-CG1 3.3Å; V132-I136 PolarHBondContact O-N 2.87Å; V132-I210 HydrophobicContact CG1-CG2 3.38Å |
| 133 | L | 86.6 | Confident | 82 | Confident | 66 Ų | 66 | 73.4 Ų | 73.4 | 35% | 0.346 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.7 | -30.9 | 176.7 | -75.1 | 170.3 | 0 | 0 | 0 | 113.8 | V129 E131 E137 A214 M217 | V129-L133 HydrophobicContact CG1-CD1 3.94Å; V129-L133 HydrophobicContact CG1-CG 4.45Å; V129-L133 WeakPolarHBondContact O-CB 3.44Å; V129-L133 WeakPolarHBondContact O-CD1 3.38Å; V129-L133 VanDerWaalsContact O-CG 3.23Å; V129-L133 WeakPolarHBondContact O-CG 3.49Å; V129-L133 PolarHBondContact O-N 3.37Å; V129-L133 VanDerWaalsContact O-N 3.09Å; E131-L133 PolarHBondContact O-N 3.35Å; E131-L133 VanDerWaalsContact O-N 3.13Å; L133-E137 WeakPolarHBondContact O-CB 3.31Å; L133-E137 PolarHBondContact O-N 2.89Å; L133-E137 VanDerWaalsContact O-N 3.07Å; L133-A214 HydrophobicContact CD2-CB 3.57Å; L133-M217 HydrophobicContact CD2-CE 4.42Å |
| 134 | K | 85.1 | Confident | 82.8 | Confident | 96 Ų | 96 | 75.1 Ų | 75.1 | 42% | 0.417 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -74.6 | -37.2 | 174.3 | -51.5 | -174.6 | -156.6 | 90.8 | 0 | 111.3 | G130 E131 V132 I136 E137 T138 | G130-K134 WeakPolarHBondContact O-CE 3.42Å; G130-K134 WeakPolarHBondContact O-CG 3.47Å; G130-K134 PolarHBondContact O-NZ 3.43Å; E131-K134 WeakPolarHBondContact O-CA 3.29Å; E131-K134 WeakPolarHBondContact O-CB 3.42Å; E131-K134 PolarHBondContact O-N 2.8Å; V132-K134 VanDerWaalsContact C-N 3.32Å; V132-K134 PolarHBondContact O-N 3.02Å; K134-I136 VanDerWaalsContact C-N 3.34Å; K134-E137 PolarHBondContact O-N 3.08Å; K134-T138 WeakPolarHBondContact O-CB 3.3Å; K134-T138 PolarHBondContact O-N 2.92Å; K134-T138 PolarHBondContact O-OG1 3.49Å |
| 135 | D | 86.7 | Confident | 84 | Confident | 86 Ų | 86 | 71.6 Ų | 71.6 | 46% | 0.46 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.7 | -41.9 | -180 | -59.7 | -23.1 | 0 | 0 | 0 | 109.8 | E131 V132 T138 A139 | E131-D135 PolarHBondContact O-N 2.74Å; E131-D135 VanDerWaalsContact O-N 3.12Å; V132-D135 PolarHBondContact O-N 3.12Å; D135-T138 PolarHBondContact O-N 3.09Å; D135-A139 WeakPolarHBondContact O-CB 3.48Å; D135-A139 PolarHBondContact O-N 3.3Å |
| 136 | I | 90.3 | Very high | 85.1 | Confident | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.041 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 169.3 | -67.7 | 168.1 | 0 | 0 | 0 | 111.1 | V132 K134 T138 A139 C140 I210 W211 A214 | V132-I136 HydrophobicContact CG1-CD1 3.97Å; V132-I136 WeakPolarHBondContact O-CG1 3.3Å; V132-I136 PolarHBondContact O-N 2.87Å; K134-I136 VanDerWaalsContact C-N 3.34Å; I136-T138 PolarHBondContact O-N 3.26Å; I136-A139 PolarHBondContact O-N 2.96Å; I136-C140 WeakPolarHBondContact O-CB 3.39Å; I136-C140 PolarHBondContact O-N 2.89Å; I136-C140 PolarHBondContact O-SG 3.25Å; I136-I210 HydrophobicContact CD1-CG2 4.08Å; I136-W211 HydrophobicContact CD1-CG 4.31Å; I136-W211 HydrophobicContact CG1-CD2 4.11Å; I136-W211 HydrophobicContact CG1-CG 4.33Å; I136-W211 HydrophobicContact CG1-CZ2 4.41Å; I136-W211 HydrophobicContact CG2-CD2 4.04Å; I136-W211 HydrophobicContact CG2-CE3 3.74Å; I136-W211 HydrophobicContact CG2-CH2 4.14Å; I136-W211 HydrophobicContact CG2-CZ2 4.39Å; I136-W211 HydrophobicContact CG2-CZ3 3.81Å; I136-A214 HydrophobicContact CD1-CB 3.5Å |
| 137 | E | 86.6 | Confident | 85.8 | Confident | 106 Ų | 106 | 65 Ų | 65 | 50% | 0.495 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.8 | -35 | 177.9 | -161.7 | -164.9 | 146.8 | 0 | 0 | 112.2 | L133 K134 K141 | L133-E137 WeakPolarHBondContact O-CB 3.31Å; L133-E137 PolarHBondContact O-N 2.89Å; L133-E137 VanDerWaalsContact O-N 3.07Å; K134-E137 PolarHBondContact O-N 3.08Å; E137-K141 WeakPolarHBondContact O-CG 3.34Å; E137-K141 PolarHBondContact O-N 3.36Å; E137-K141 WeakPolarHBondContact OE1-CE 3.39Å; E137-K141 IonicContact OE1-NZ 2.75Å; E137-K141 PolarHBondContact OE1-NZ 3.26Å |
| 138 | T | 87 | Confident | 86.6 | Confident | 69 Ų | 69 | 62.7 Ų | 62.7 | 42% | 0.423 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -72.8 | -43.6 | 177.2 | -56.2 | 0 | 0 | 0 | 0 | 111 | K134 D135 I136 C140 K141 L142 | K134-T138 WeakPolarHBondContact O-CB 3.3Å; K134-T138 PolarHBondContact O-N 2.92Å; K134-T138 PolarHBondContact O-OG1 3.49Å; D135-T138 PolarHBondContact O-N 3.09Å; I136-T138 PolarHBondContact O-N 3.26Å; T138-C140 PolarHBondContact O-N 3.49Å; T138-K141 PolarHBondContact O-N 2.99Å; T138-L142 HydrophobicContact CG2-CD1 3.97Å; T138-L142 HydrophobicContact CG2-CG 4.39Å; T138-L142 WeakPolarHBondContact O-CG 3.25Å; T138-L142 PolarHBondContact O-N 2.91Å |
| 139 | A | 88.8 | Confident | 87.2 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | D135 I136 K141 L142 L143 W163 W211 | D135-A139 WeakPolarHBondContact O-CB 3.48Å; D135-A139 PolarHBondContact O-N 3.3Å; I136-A139 PolarHBondContact O-N 2.96Å; A139-K141 VanDerWaalsContact C-N 3.29Å; A139-K141 PolarHBondContact O-N 3.01Å; A139-L142 PolarHBondContact O-N 3.11Å; A139-L143 VanDerWaalsContact O-CB 3.29Å; A139-L143 WeakPolarHBondContact O-CB 3.37Å; A139-L143 VanDerWaalsContact O-CG 3.28Å; A139-L143 WeakPolarHBondContact O-CG 3.31Å; A139-L143 PolarHBondContact O-N 2.71Å; A139-W163 HydrophobicContact CB-CD2 4.23Å; A139-W163 HydrophobicContact CB-CE3 4.24Å; A139-W163 HydrophobicContact CB-CH2 3.61Å; A139-W163 HydrophobicContact CB-CZ2 3.6Å; A139-W163 HydrophobicContact CB-CZ3 3.93Å; A139-W211 HydrophobicContact CB-CH2 3.81Å; A139-W211 HydrophobicContact CB-CZ2 3.71Å |
| 140 | C | 89.7 | Confident | 87.7 | Confident | 18 Ų | 18 | 59.2 Ų | 59.2 | 12% | 0.122 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55.4 | -43.9 | 173.5 | -68.3 | 0 | 0 | 0 | 0 | 111.8 | I136 T138 N144 I145 S147 | I136-C140 WeakPolarHBondContact O-CB 3.39Å; I136-C140 PolarHBondContact O-N 2.89Å; I136-C140 PolarHBondContact O-SG 3.25Å; T138-C140 PolarHBondContact O-N 3.49Å; C140-N144 WeakPolarHBondContact O-CA 3.33Å; C140-N144 PolarHBondContact O-N 3.45Å; C140-I145 WeakPolarHBondContact CB-O 3.28Å; C140-I145 PolarHBondContact O-N 3.41Å; C140-I145 VanDerWaalsContact O-N 3.11Å; C140-S147 VanDerWaalsContact SG-CA 3.51Å |
| 141 | K | 86.3 | Confident | 88.3 | Confident | 137 Ų | 137 | 63.8 Ų | 63.8 | 60% | 0.596 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -70.6 | -45 | 178.7 | -69.6 | 166.9 | -171.9 | 171.4 | 0 | 112.5 | E137 T138 A139 | E137-K141 WeakPolarHBondContact O-CG 3.34Å; E137-K141 PolarHBondContact O-N 3.36Å; E137-K141 WeakPolarHBondContact OE1-CE 3.39Å; E137-K141 IonicContact OE1-NZ 2.75Å; E137-K141 PolarHBondContact OE1-NZ 3.26Å; T138-K141 PolarHBondContact O-N 2.99Å; A139-K141 VanDerWaalsContact C-N 3.29Å; A139-K141 PolarHBondContact O-N 3.01Å |
| 142 | L | 87.6 | Confident | 88.8 | Confident | 125 Ų | 125 | 58.9 Ų | 58.9 | 65% | 0.654 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -67.6 | -40.7 | -179 | -71.3 | 173.1 | 0 | 0 | 0 | 112.7 | T138 A139 | T138-L142 HydrophobicContact CG2-CD1 3.97Å; T138-L142 HydrophobicContact CG2-CG 4.39Å; T138-L142 WeakPolarHBondContact O-CG 3.25Å; T138-L142 PolarHBondContact O-N 2.91Å; A139-L142 PolarHBondContact O-N 3.11Å |
| 143 | L | 88.7 | Confident | 89.1 | Confident | 33 Ų | 33 | 60.7 Ų | 60.7 | 17% | 0.173 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -89 | -13.6 | -178.2 | -55.8 | 175.3 | 0 | 0 | 0 | 112.5 | A139 I145 K159 W163 | A139-L143 VanDerWaalsContact O-CB 3.29Å; A139-L143 WeakPolarHBondContact O-CB 3.37Å; A139-L143 VanDerWaalsContact O-CG 3.28Å; A139-L143 WeakPolarHBondContact O-CG 3.31Å; A139-L143 PolarHBondContact O-N 2.71Å; L143-I145 HydrophobicContact CB-CD1 4.19Å; L143-I145 HydrophobicContact CB-CG1 4.09Å; L143-I145 HydrophobicContact CB-CG2 3.99Å; L143-I145 HydrophobicContact CD1-CD1 3.81Å; L143-K159 HydrophobicContact CB-CB 4.41Å; L143-K159 VanDerWaalsContact O-CD 3.31Å; L143-K159 WeakPolarHBondContact O-CD 3.48Å; L143-K159 VanDerWaalsContact O-CE 3.25Å; L143-K159 WeakPolarHBondContact O-CE 3.34Å; L143-K159 PolarHBondContact O-NZ 2.82Å; L143-W163 HydrophobicContact CD1-CB 3.72Å; L143-W163 HydrophobicContact CD1-CD2 4.21Å; L143-W163 HydrophobicContact CD1-CG 3.85Å; L143-W163 HydrophobicContact CD2-CB 3.94Å; L143-W163 HydrophobicContact CD2-CG 4.2Å; L143-W163 HydrophobicContact CG-CB 4.41Å; L143-W163 HydrophobicContact CG-CG 4.42Å |
| 144 | N | 89.4 | Confident | 89.5 | Confident | 133 Ų | 133 | 61.9 Ų | 61.9 | 71% | 0.711 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 64 | -166.9 | -168.8 | 36.5 | 0 | 0 | 0 | 111.1 | C140 K159 | C140-N144 WeakPolarHBondContact O-CA 3.33Å; C140-N144 PolarHBondContact O-N 3.45Å; N144-K159 PolarHBondContact O-NZ 3.29Å; N144-K159 VanDerWaalsContact O-NZ 3.08Å |
| 145 | I | 91.9 | Very high | 89.8 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 7% | 0.072 | 32% | 0.318 | C | S | . | . | trans | -131.5 | 157.1 | 175.9 | 69.3 | 179.2 | 0 | 0 | 0 | 110 | C140 L143 W152 N156 K159 W160 W211 | C140-I145 WeakPolarHBondContact CB-O 3.28Å; C140-I145 PolarHBondContact O-N 3.41Å; C140-I145 VanDerWaalsContact O-N 3.11Å; L143-I145 HydrophobicContact CB-CD1 4.19Å; L143-I145 HydrophobicContact CB-CG1 4.09Å; L143-I145 HydrophobicContact CB-CG2 3.99Å; L143-I145 HydrophobicContact CD1-CD1 3.81Å; I145-W152 HydrophobicContact CD1-CZ2 3.94Å; I145-N156 HydrophobicContact CB-CB 4.35Å; I145-N156 HydrophobicContact CG2-CB 3.82Å; I145-K159 HydrophobicContact CG2-CB 4.33Å; I145-K159 HydrophobicContact CG2-CD 3.56Å; I145-W160 HydrophobicContact CD1-CB 4.19Å; I145-W211 HydrophobicContact CD1-CH2 3.94Å; I145-W211 HydrophobicContact CD1-CZ3 4.17Å; I145-W211 HydrophobicContact CG1-CH2 4.42Å; I145-W211 HydrophobicContact CG1-CZ3 4.49Å | ||
| 146 | T | 88.3 | Confident | 90.1 | Very high | 39 Ų | 39 | 56 Ų | 56 | 24% | 0.239 | 30% | 0.301 | C | S | . | . | trans | -74.8 | 152.4 | 175.3 | 146 | 0 | 0 | 0 | 0 | 110.9 | D148 E151 W152 | T146-D148 PolarHBondContact O-N 3.01Å; T146-D148 PolarHBondContact OG1-N 3.49Å; T146-D148 VanDerWaalsContact OG1-N 3.08Å; T146-E151 VanDerWaalsContact CB-OE2 3.3Å; T146-E151 WeakPolarHBondContact CB-OE2 3.37Å; T146-E151 HydrophobicContact CG2-CB 3.65Å; T146-E151 WeakPolarHBondContact CG2-OE2 3.41Å; T146-E151 PolarHBondContact OG1-OE2 3.37Å; T146-W152 PolarHBondContact O-NE1 2.86Å | ||
| 147 | S | 88.7 | Confident | 90.3 | Very high | 24 Ų | 24 | 55.6 Ų | 55.6 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -72.7 | -7.6 | 177.2 | 67.7 | 0 | 0 | 0 | 0 | 114.2 | C140 K218 | C140-S147 VanDerWaalsContact SG-CA 3.51Å; S147-K218 PolarHBondContact OG-NZ 3.3Å |
| 148 | D | 90.8 | Very high | 90.7 | Very high | 43 Ų | 43 | 52.7 Ų | 52.7 | 23% | 0.23 | 29% | 0.285 | C | S | . | . | trans | -103.5 | 112.6 | 177.2 | -169.5 | -38.4 | 0 | 0 | 0 | 110 | T146 T150 E151 W152 A215 | T146-D148 PolarHBondContact O-N 3.01Å; T146-D148 PolarHBondContact OG1-N 3.49Å; T146-D148 VanDerWaalsContact OG1-N 3.08Å; D148-T150 PolarHBondContact O-N 3.47Å; D148-T150 WeakPolarHBondContact OD1-CA 3.44Å; D148-T150 WeakPolarHBondContact OD1-CB 3.42Å; D148-T150 PolarHBondContact OD1-N 2.99Å; D148-T150 PolarHBondContact OD1-OG1 3.17Å; D148-E151 HydrophobicContact CB-CG 4.03Å; D148-E151 PolarHBondContact O-N 3.33Å; D148-E151 VanDerWaalsContact O-N 3.15Å; D148-W152 VanDerWaalsContact O-CD1 3.31Å; D148-W152 PolarHBondContact O-NE1 3.42Å; D148-A215 HydrophobicContact CB-CB 4.08Å | ||
| 149 | P | 91.6 | Very high | 91 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -59.3 | -24.9 | 177.8 | -27.9 | 37.6 | 0 | 0 | 0 | 114.9 | E151 W152 G182 C186 L208 W211 K212 | P149-E151 VanDerWaalsContact C-N 3.26Å; P149-E151 PolarHBondContact O-N 3.2Å; P149-W152 HydrophobicContact CB-CD2 4.26Å; P149-W152 HydrophobicContact CB-CE3 4.14Å; P149-W152 HydrophobicContact CB-CH2 3.98Å; P149-W152 HydrophobicContact CB-CZ2 4.12Å; P149-W152 HydrophobicContact CB-CZ3 3.99Å; P149-W152 HydrophobicContact CG-CH2 3.88Å; P149-W152 HydrophobicContact CG-CZ2 3.92Å; P149-W152 HydrophobicContact CG-CZ3 4.38Å; P149-W152 PolarHBondContact O-N 2.97Å; P149-G182 CarbonylContact O-C 3.41Å; P149-G182 WeakPolarHBondContact O-CA 3.44Å; P149-C186 VanDerWaalsContact CB-SG 3.55Å; P149-L208 HydrophobicContact CB-CD1 3.72Å; P149-L208 HydrophobicContact CG-CD1 3.98Å; P149-W211 HydrophobicContact CG-CB 3.51Å; P149-W211 HydrophobicContact CG-CG 4.5Å; P149-K212 HydrophobicContact CG-CG 4.43Å |
| 150 | T | 92.4 | Very high | 91.3 | Very high | 60 Ų | 60 | 52.9 Ų | 52.9 | 37% | 0.368 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -74.5 | -15.3 | 179.5 | 72.9 | 0 | 0 | 0 | 0 | 113.4 | D148 K183 C186 | D148-T150 PolarHBondContact O-N 3.47Å; D148-T150 WeakPolarHBondContact OD1-CA 3.44Å; D148-T150 WeakPolarHBondContact OD1-CB 3.42Å; D148-T150 PolarHBondContact OD1-N 2.99Å; D148-T150 PolarHBondContact OD1-OG1 3.17Å; T150-K183 VanDerWaalsContact O-CE 3.29Å; T150-K183 WeakPolarHBondContact O-CE 3.43Å; T150-K183 VanDerWaalsContact O-CG 3.23Å; T150-K183 WeakPolarHBondContact O-CG 3.42Å; T150-C186 HydrophobicContact CG2-CB 4.23Å |
| 151 | E | 90 | Very high | 91.4 | Very high | 124 Ų | 124 | 52 Ų | 52 | 58% | 0.579 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -87.4 | -5.1 | 174.1 | -64.1 | -170.9 | 134.2 | 0 | 0 | 113.2 | T146 D148 P149 N153 | T146-E151 VanDerWaalsContact CB-OE2 3.3Å; T146-E151 WeakPolarHBondContact CB-OE2 3.37Å; T146-E151 HydrophobicContact CG2-CB 3.65Å; T146-E151 WeakPolarHBondContact CG2-OE2 3.41Å; T146-E151 PolarHBondContact OG1-OE2 3.37Å; D148-E151 HydrophobicContact CB-CG 4.03Å; D148-E151 PolarHBondContact O-N 3.33Å; D148-E151 VanDerWaalsContact O-N 3.15Å; P149-E151 VanDerWaalsContact C-N 3.26Å; P149-E151 PolarHBondContact O-N 3.2Å; E151-N153 PolarHBondContact O-N 3.18Å |
| 152 | W | 93.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 49.6 Ų | 49.6 | 2% | 0.023 | 27% | 0.267 | C | S | . | . | trans | -73.7 | 130.1 | -173 | -65.6 | -4.9 | 0 | 0 | 0 | 113.5 | I145 T146 D148 P149 N156 V157 W160 G182 L185 L208 W211 | I145-W152 HydrophobicContact CD1-CZ2 3.94Å; T146-W152 PolarHBondContact O-NE1 2.86Å; D148-W152 VanDerWaalsContact O-CD1 3.31Å; D148-W152 PolarHBondContact O-NE1 3.42Å; P149-W152 HydrophobicContact CB-CD2 4.26Å; P149-W152 HydrophobicContact CB-CE3 4.14Å; P149-W152 HydrophobicContact CB-CH2 3.98Å; P149-W152 HydrophobicContact CB-CZ2 4.12Å; P149-W152 HydrophobicContact CB-CZ3 3.99Å; P149-W152 HydrophobicContact CG-CH2 3.88Å; P149-W152 HydrophobicContact CG-CZ2 3.92Å; P149-W152 HydrophobicContact CG-CZ3 4.38Å; P149-W152 PolarHBondContact O-N 2.97Å; W152-N156 HydrophobicContact CB-CB 3.81Å; W152-N156 HydrophobicContact CG-CB 3.87Å; W152-V157 HydrophobicContact CB-CG2 4.02Å; W152-V157 HydrophobicContact CE3-CG2 4.19Å; W152-W160 HydrophobicContact CE3-CB 4.33Å; W152-W160 HydrophobicContact CE3-CG 4.43Å; W152-W160 HydrophobicContact CH2-CB 3.85Å; W152-W160 AromaticContact CH2-CD1 3.32Å; W152-W160 AromaticContact CH2-CD2 3.81Å; W152-W160 HydrophobicContact CH2-CD2 3.81Å; W152-W160 AromaticContact CH2-CG 3.36Å; W152-W160 HydrophobicContact CH2-CG 3.36Å; W152-W160 AromaticContact CH2-NE1 3.71Å; W152-W160 HydrophobicContact CZ2-CG 4.34Å; W152-W160 HydrophobicContact CZ3-CB 3.74Å; W152-W160 AromaticContact CZ3-CD1 3.87Å; W152-W160 AromaticContact CZ3-CD2 3.52Å; W152-W160 HydrophobicContact CZ3-CD2 3.52Å; W152-W160 AromaticContact CZ3-CE3 3.94Å; W152-W160 HydrophobicContact CZ3-CE3 3.94Å; W152-W160 AromaticContact CZ3-CG 3.41Å; W152-W160 HydrophobicContact CZ3-CG 3.41Å; W152-W160 VanDerWaalsContact CZ3-CG 3.41Å; W152-G182 PolarHBondContact O-N 2.82Å; W152-L185 HydrophobicContact CE3-CD2 4.26Å; W152-L185 HydrophobicContact CZ3-CD2 4.18Å; W152-L208 HydrophobicContact CZ3-CD1 4.19Å; W152-W211 HydrophobicContact CH2-CD2 4.16Å; W152-W211 AromaticContact CH2-CE3 3.99Å; W152-W211 HydrophobicContact CH2-CE3 3.99Å; W152-W211 HydrophobicContact CH2-CZ3 4.37Å; W152-W211 HydrophobicContact CZ2-CD2 4.16Å; W152-W211 AromaticContact CZ2-CE3 3.52Å; W152-W211 HydrophobicContact CZ2-CE3 3.52Å; W152-W211 HydrophobicContact CZ2-CH2 4.4Å; W152-W211 AromaticContact CZ2-CZ3 3.65Å; W152-W211 HydrophobicContact CZ2-CZ3 3.65Å | ||
| 153 | N | 92.3 | Very high | 91.9 | Very high | 86 Ų | 86 | 46 Ų | 46 | 46% | 0.46 | 25% | 0.245 | S | C | . | . | trans | -76.1 | 167.8 | 158.7 | 66 | 68.3 | 0 | 0 | 0 | 110.7 | E151 G155 N156 V157 | E151-N153 PolarHBondContact O-N 3.18Å; N153-G155 PolarHBondContact O-N 2.64Å; N153-G155 WeakPolarHBondContact OD1-CA 3.36Å; N153-G155 PolarHBondContact OD1-N 2.95Å; N153-N156 PolarHBondContact ND2-ND2 3.49Å; N153-N156 WeakPolarHBondContact O-CA 3.42Å; N153-N156 WeakPolarHBondContact O-CB 3.45Å; N153-N156 PolarHBondContact O-N 3.27Å; N153-N156 PolarHBondContact OD1-N 3.4Å; N153-V157 PolarHBondContact O-N 2.9Å | ||
| 154 | M | 93.6 | Very high | 92 | Very high | 91 Ų | 91 | 44.4 Ų | 44.4 | 45% | 0.448 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56 | -36 | -177.7 | -57.2 | 151.2 | 89.4 | 0 | 0 | 113.1 | V157 Q158 L180 T181 | M154-V157 PolarHBondContact O-N 3.14Å; M154-Q158 WeakPolarHBondContact O-CG 3.49Å; M154-Q158 PolarHBondContact O-N 3.38Å; M154-L180 WeakPolarHBondContact CA-O 3.34Å; M154-L180 WeakPolarHBondContact CG-O 3.47Å; M154-T181 HydrophobicContact CG-CG2 4.24Å |
| 155 | G | 92.4 | Very high | 92.1 | Very high | 39 Ų | 39 | 38.5 Ų | 38.5 | 40% | 0.402 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.4 | -34.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N153 Q158 K159 | N153-G155 PolarHBondContact O-N 2.64Å; N153-G155 WeakPolarHBondContact OD1-CA 3.36Å; N153-G155 PolarHBondContact OD1-N 2.95Å; G155-Q158 PolarHBondContact O-N 2.81Å; G155-K159 WeakPolarHBondContact O-CG 3.34Å; G155-K159 PolarHBondContact O-N 2.82Å |
| 156 | N | 92.8 | Very high | 92.1 | Very high | 19 Ų | 19 | 45.1 Ų | 45.1 | 10% | 0.102 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.8 | -39.5 | 173 | -71.2 | 1.2 | 0 | 0 | 0 | 111.7 | I145 W152 N153 Q158 K159 W160 | I145-N156 HydrophobicContact CB-CB 4.35Å; I145-N156 HydrophobicContact CG2-CB 3.82Å; W152-N156 HydrophobicContact CB-CB 3.81Å; W152-N156 HydrophobicContact CG-CB 3.87Å; N153-N156 PolarHBondContact ND2-ND2 3.49Å; N153-N156 WeakPolarHBondContact O-CA 3.42Å; N153-N156 WeakPolarHBondContact O-CB 3.45Å; N153-N156 PolarHBondContact O-N 3.27Å; N153-N156 PolarHBondContact OD1-N 3.4Å; N156-Q158 VanDerWaalsContact C-N 3.35Å; N156-Q158 PolarHBondContact O-N 2.75Å; N156-K159 PolarHBondContact O-N 3.25Å; N156-W160 PolarHBondContact O-N 2.97Å |
| 157 | V | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.3 | -47.8 | 171.2 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | W152 N153 M154 W160 M161 L185 | W152-V157 HydrophobicContact CB-CG2 4.02Å; W152-V157 HydrophobicContact CE3-CG2 4.19Å; N153-V157 PolarHBondContact O-N 2.9Å; M154-V157 PolarHBondContact O-N 3.14Å; V157-W160 PolarHBondContact O-N 3.19Å; V157-M161 HydrophobicContact CG1-CG 4.35Å; V157-M161 WeakPolarHBondContact O-CG 3.35Å; V157-M161 PolarHBondContact O-N 2.91Å; V157-L185 HydrophobicContact CG1-CD1 4.21Å; V157-L185 HydrophobicContact CG1-CD2 4.02Å; V157-L185 HydrophobicContact CG2-CD2 4.21Å |
| 158 | Q | 94.4 | Very high | 92.1 | Very high | 46 Ų | 46 | 51.3 Ų | 51.3 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.2 | -38.1 | 179.5 | -71.1 | -63.8 | -63.5 | 0 | 0 | 113.4 | M154 G155 N156 M161 L162 G174 F177 | M154-Q158 WeakPolarHBondContact O-CG 3.49Å; M154-Q158 PolarHBondContact O-N 3.38Å; G155-Q158 PolarHBondContact O-N 2.81Å; N156-Q158 VanDerWaalsContact C-N 3.35Å; N156-Q158 PolarHBondContact O-N 2.75Å; Q158-M161 PolarHBondContact O-N 3.2Å; Q158-L162 WeakPolarHBondContact O-CB 3.33Å; Q158-L162 VanDerWaalsContact O-CG 3.26Å; Q158-L162 WeakPolarHBondContact O-CG 3.34Å; Q158-L162 PolarHBondContact O-N 3.35Å; Q158-G174 PolarHBondContact NE2-O 2.95Å; Q158-G174 PolarHBondContact OE1-O 3.39Å; Q158-F177 VanDerWaalsContact NE2-C 3.3Å; Q158-F177 PolarHBondContact NE2-O 3.13Å |
| 159 | K | 93.3 | Very high | 92.1 | Very high | 74 Ų | 74 | 60.5 Ų | 60.5 | 32% | 0.322 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59 | -46.1 | 171.1 | -73.5 | 167.3 | 172.3 | -175.8 | 0 | 112.1 | L143 N144 I145 G155 N156 W163 | L143-K159 HydrophobicContact CB-CB 4.41Å; L143-K159 VanDerWaalsContact O-CD 3.31Å; L143-K159 WeakPolarHBondContact O-CD 3.48Å; L143-K159 VanDerWaalsContact O-CE 3.25Å; L143-K159 WeakPolarHBondContact O-CE 3.34Å; L143-K159 PolarHBondContact O-NZ 2.82Å; N144-K159 PolarHBondContact O-NZ 3.29Å; N144-K159 VanDerWaalsContact O-NZ 3.08Å; I145-K159 HydrophobicContact CG2-CB 4.33Å; I145-K159 HydrophobicContact CG2-CD 3.56Å; G155-K159 WeakPolarHBondContact O-CG 3.34Å; G155-K159 PolarHBondContact O-N 2.82Å; N156-K159 PolarHBondContact O-N 3.25Å; K159-W163 WeakPolarHBondContact O-CB 3.29Å; K159-W163 PolarHBondContact O-N 3.28Å |
| 160 | W | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 179 | 169.5 | 82.9 | 0 | 0 | 0 | 111.9 | I145 W152 N156 V157 W163 T164 L185 L204 H207 L208 W211 | I145-W160 HydrophobicContact CD1-CB 4.19Å; W152-W160 HydrophobicContact CE3-CB 4.33Å; W152-W160 HydrophobicContact CE3-CG 4.43Å; W152-W160 HydrophobicContact CH2-CB 3.85Å; W152-W160 AromaticContact CH2-CD1 3.32Å; W152-W160 AromaticContact CH2-CD2 3.81Å; W152-W160 HydrophobicContact CH2-CD2 3.81Å; W152-W160 AromaticContact CH2-CG 3.36Å; W152-W160 HydrophobicContact CH2-CG 3.36Å; W152-W160 AromaticContact CH2-NE1 3.71Å; W152-W160 HydrophobicContact CZ2-CG 4.34Å; W152-W160 HydrophobicContact CZ3-CB 3.74Å; W152-W160 AromaticContact CZ3-CD1 3.87Å; W152-W160 AromaticContact CZ3-CD2 3.52Å; W152-W160 HydrophobicContact CZ3-CD2 3.52Å; W152-W160 AromaticContact CZ3-CE3 3.94Å; W152-W160 HydrophobicContact CZ3-CE3 3.94Å; W152-W160 AromaticContact CZ3-CG 3.41Å; W152-W160 HydrophobicContact CZ3-CG 3.41Å; W152-W160 VanDerWaalsContact CZ3-CG 3.41Å; N156-W160 PolarHBondContact O-N 2.97Å; V157-W160 PolarHBondContact O-N 3.19Å; W160-W163 PolarHBondContact O-N 3.37Å; W160-T164 VanDerWaalsContact O-CB 3.31Å; W160-T164 WeakPolarHBondContact O-CB 3.48Å; W160-T164 PolarHBondContact O-N 2.86Å; W160-T164 PolarHBondContact O-OG1 2.89Å; W160-L185 HydrophobicContact CE3-CD2 4.12Å; W160-L185 HydrophobicContact CZ3-CD2 3.88Å; W160-L204 WeakPolarHBondContact CH2-O 3.48Å; W160-H207 AromaticContact CZ2-CD2 3.95Å; W160-H207 AromaticContact NE1-CD2 3.54Å; W160-L208 HydrophobicContact CH2-CB 3.84Å; W160-L208 HydrophobicContact CH2-CD1 4.34Å; W160-L208 HydrophobicContact CZ2-CB 3.8Å; W160-L208 HydrophobicContact CZ2-CD1 4.22Å; W160-W211 AromaticContact CD1-CE2 3.83Å; W160-W211 AromaticContact CD1-CZ2 3.91Å; W160-W211 AromaticContact NE1-CD1 3.85Å; W160-W211 AromaticContact NE1-CE2 3.79Å; W160-W211 AromaticContact NE1-NE1 3.53Å |
| 161 | M | 93 | Very high | 91.9 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.1 | -56.3 | 172.7 | -76.3 | -69.2 | -61.1 | 0 | 0 | 111 | V157 Q158 W163 T164 E165 A173 F177 L204 | V157-M161 HydrophobicContact CG1-CG 4.35Å; V157-M161 WeakPolarHBondContact O-CG 3.35Å; V157-M161 PolarHBondContact O-N 2.91Å; Q158-M161 PolarHBondContact O-N 3.2Å; M161-W163 VanDerWaalsContact C-N 3.3Å; M161-W163 PolarHBondContact O-N 3.49Å; M161-T164 PolarHBondContact O-N 3.31Å; M161-T164 VanDerWaalsContact O-N 3.17Å; M161-E165 WeakPolarHBondContact O-CB 3.41Å; M161-E165 VanDerWaalsContact O-CG 3.28Å; M161-E165 WeakPolarHBondContact O-CG 3.44Å; M161-E165 PolarHBondContact O-N 3.27Å; M161-A173 HydrophobicContact CE-CB 3.87Å; M161-F177 HydrophobicContact CE-CB 4.3Å; M161-F177 HydrophobicContact CE-CD2 3.43Å; M161-F177 VanDerWaalsContact CE-CD2 3.43Å; M161-F177 HydrophobicContact CE-CE2 3.9Å; M161-F177 HydrophobicContact CE-CG 3.95Å; M161-F177 HydrophobicContact CG-CB 4.37Å; M161-F177 HydrophobicContact SD-CB 4.26Å; M161-F177 HydrophobicContact SD-CD2 4.12Å; M161-F177 HydrophobicContact SD-CG 4.05Å; M161-L204 HydrophobicContact CE-CD1 3.74Å; M161-L204 HydrophobicContact CE-CD2 4.16Å; M161-L204 HydrophobicContact SD-CD1 4.21Å; M161-L204 HydrophobicContact SD-CD2 3.96Å |
| 162 | L | 92.1 | Very high | 91.7 | Very high | 85 Ų | 85 | 64.1 Ų | 64.1 | 45% | 0.445 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.2 | -38.7 | -178.6 | -71.8 | 169.3 | 0 | 0 | 0 | 113.1 | Q158 H166 H172 | Q158-L162 WeakPolarHBondContact O-CB 3.33Å; Q158-L162 VanDerWaalsContact O-CG 3.26Å; Q158-L162 WeakPolarHBondContact O-CG 3.34Å; Q158-L162 PolarHBondContact O-N 3.35Å; L162-H166 PolarHBondContact O-N 3.39Å; L162-H166 VanDerWaalsContact O-N 3.1Å; L162-H172 WeakPolarHBondContact CD2-CE1 3.17Å |
| 163 | W | 91.5 | Very high | 91.4 | Very high | 50 Ų | 50 | 64.3 Ų | 64.3 | 19% | 0.189 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.6 | -42.7 | 176.3 | 179.9 | 75.8 | 0 | 0 | 0 | 112.4 | A139 L143 K159 W160 M161 H166 L167 H207 W211 | A139-W163 HydrophobicContact CB-CD2 4.23Å; A139-W163 HydrophobicContact CB-CE3 4.24Å; A139-W163 HydrophobicContact CB-CH2 3.61Å; A139-W163 HydrophobicContact CB-CZ2 3.6Å; A139-W163 HydrophobicContact CB-CZ3 3.93Å; L143-W163 HydrophobicContact CD1-CB 3.72Å; L143-W163 HydrophobicContact CD1-CD2 4.21Å; L143-W163 HydrophobicContact CD1-CG 3.85Å; L143-W163 HydrophobicContact CD2-CB 3.94Å; L143-W163 HydrophobicContact CD2-CG 4.2Å; L143-W163 HydrophobicContact CG-CB 4.41Å; L143-W163 HydrophobicContact CG-CG 4.42Å; K159-W163 WeakPolarHBondContact O-CB 3.29Å; K159-W163 PolarHBondContact O-N 3.28Å; W160-W163 PolarHBondContact O-N 3.37Å; M161-W163 VanDerWaalsContact C-N 3.3Å; M161-W163 PolarHBondContact O-N 3.49Å; W163-H166 PolarHBondContact O-N 2.81Å; W163-L167 HydrophobicContact CH2-CD2 3.7Å; W163-L167 HydrophobicContact CZ2-CD2 3.99Å; W163-L167 HydrophobicContact CZ3-CD2 4.02Å; W163-L167 VanDerWaalsContact O-CB 3.3Å; W163-L167 WeakPolarHBondContact O-CB 3.24Å; W163-L167 PolarHBondContact O-N 3.2Å; W163-H207 AromaticContact CZ3-NE2 3.45Å; W163-H207 WeakPolarHBondContact CZ3-NE2 3.38Å; W163-W211 HydrophobicContact CE3-CZ2 4.46Å; W163-W211 AromaticContact CZ3-CZ2 3.93Å; W163-W211 HydrophobicContact CZ3-CZ2 3.93Å |
| 164 | T | 92.1 | Very high | 91 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66 | -40.4 | 177.8 | -53.6 | 0 | 0 | 0 | 0 | 111 | W160 M161 L167 Y168 L204 H207 | W160-T164 VanDerWaalsContact O-CB 3.31Å; W160-T164 WeakPolarHBondContact O-CB 3.48Å; W160-T164 PolarHBondContact O-N 2.86Å; W160-T164 PolarHBondContact O-OG1 2.89Å; M161-T164 PolarHBondContact O-N 3.31Å; M161-T164 VanDerWaalsContact O-N 3.17Å; T164-L167 PolarHBondContact O-N 3.35Å; T164-Y168 HydrophobicContact CG2-CD2 3.76Å; T164-Y168 HydrophobicContact CG2-CE2 3.94Å; T164-Y168 WeakPolarHBondContact O-CD2 3.41Å; T164-Y168 PolarHBondContact O-N 3.22Å; T164-Y168 VanDerWaalsContact O-N 3.1Å; T164-L204 HydrophobicContact CG2-CD2 3.83Å; T164-H207 HydrophobicContact CG2-CB 4.15Å |
| 165 | E | 91.6 | Very high | 90.7 | Very high | 8 Ų | 8 | 64.5 Ų | 64.5 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 172.4 | -73.3 | 171.6 | -168.7 | 0 | 0 | 112 | M161 R169 L170 H172 A173 G174 | M161-E165 WeakPolarHBondContact O-CB 3.41Å; M161-E165 VanDerWaalsContact O-CG 3.28Å; M161-E165 WeakPolarHBondContact O-CG 3.44Å; M161-E165 PolarHBondContact O-N 3.27Å; E165-R169 CarbonylContact O-C 3.58Å; E165-R169 WeakPolarHBondContact O-CA 3.48Å; E165-R169 PolarHBondContact O-N 3.11Å; E165-L170 HydrophobicContact CB-CB 4.48Å; E165-L170 HydrophobicContact CG-CB 4.4Å; E165-L170 PolarHBondContact O-N 2.78Å; E165-H172 IonicContact OE2-CE1 2.63Å; E165-H172 IonicContact OE2-CG 2.87Å; E165-H172 IonicContact OE2-ND1 3.85Å; E165-H172 PolarHBondContact OE2-ND1 3.01Å; E165-A173 WeakPolarHBondContact OE1-CA 3.43Å; E165-A173 PolarHBondContact OE1-N 3Å; E165-G174 PolarHBondContact OE1-N 3.08Å |
| 166 | H | 90.3 | Very high | 90.6 | Very high | 154 Ų | 154 | 64.8 Ų | 64.8 | 71% | 0.713 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.5 | -46.9 | 176.1 | -175.5 | 77.2 | 0 | 0 | 0 | 112.3 | L162 W163 Y168 R169 | L162-H166 PolarHBondContact O-N 3.39Å; L162-H166 VanDerWaalsContact O-N 3.1Å; W163-H166 PolarHBondContact O-N 2.81Å; H166-Y168 PolarHBondContact O-N 2.82Å; H166-R169 PolarHBondContact O-N 3.08Å |
| 167 | L | 88.3 | Confident | 90.5 | Very high | 83 Ų | 83 | 64 Ų | 64 | 44% | 0.435 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.3 | -45 | -177.3 | 179.6 | 63.5 | 0 | 0 | 0 | 112.4 | W163 T164 | W163-L167 HydrophobicContact CH2-CD2 3.7Å; W163-L167 HydrophobicContact CZ2-CD2 3.99Å; W163-L167 HydrophobicContact CZ3-CD2 4.02Å; W163-L167 VanDerWaalsContact O-CB 3.3Å; W163-L167 WeakPolarHBondContact O-CB 3.24Å; W163-L167 PolarHBondContact O-N 3.2Å; T164-L167 PolarHBondContact O-N 3.35Å |
| 168 | Y | 89.9 | Confident | 90.2 | Very high | 109 Ų | 109 | 68.5 Ų | 68.5 | 43% | 0.427 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -100.8 | 6.1 | -179.1 | -60.2 | -70.7 | 0 | 0 | 0 | 113.8 | T164 H166 L170 T203 H207 | T164-Y168 HydrophobicContact CG2-CD2 3.76Å; T164-Y168 HydrophobicContact CG2-CE2 3.94Å; T164-Y168 WeakPolarHBondContact O-CD2 3.41Å; T164-Y168 PolarHBondContact O-N 3.22Å; T164-Y168 VanDerWaalsContact O-N 3.1Å; H166-Y168 PolarHBondContact O-N 2.82Å; Y168-L170 VanDerWaalsContact C-N 3.32Å; Y168-L170 PolarHBondContact O-N 3.41Å; Y168-T203 HydrophobicContact CD2-CG2 4.39Å; Y168-T203 HydrophobicContact CG-CG2 4.36Å; Y168-H207 HydrophobicContact CE2-CB 4.32Å; Y168-H207 AromaticContact CE2-CE1 3.93Å; Y168-H207 AromaticContact CE2-CG 3.85Å; Y168-H207 AromaticContact CE2-ND1 3.44Å; Y168-H207 WeakPolarHBondContact CE2-ND1 3.41Å; Y168-H207 AromaticContact CZ-ND1 3.66Å; Y168-H207 PolarHBondContact OH-CE1 2.98Å; Y168-H207 PolarHBondContact OH-ND1 2.58Å |
| 169 | R | 90.9 | Very high | 90 | Very high | 236 Ų | 236 | 73.2 Ų | 73.2 | 89% | 0.891 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 41.7 | -178.5 | -56.5 | -179.8 | 177.5 | -177.4 | -1.4 | 113.8 | E165 H166 | E165-R169 CarbonylContact O-C 3.58Å; E165-R169 WeakPolarHBondContact O-CA 3.48Å; E165-R169 PolarHBondContact O-N 3.11Å; H166-R169 PolarHBondContact O-N 3.08Å |
| 170 | L | 89.7 | Confident | 90 | Very high | 34 Ų | 34 | 70.6 Ų | 70.6 | 18% | 0.178 | 33% | 0.333 | C | S | . | . | trans | -80.6 | 159.3 | -175.3 | -51.4 | 172.2 | 0 | 0 | 0 | 112.1 | E165 Y168 C200 T203 L204 | E165-L170 HydrophobicContact CB-CB 4.48Å; E165-L170 HydrophobicContact CG-CB 4.4Å; E165-L170 PolarHBondContact O-N 2.78Å; Y168-L170 VanDerWaalsContact C-N 3.32Å; Y168-L170 PolarHBondContact O-N 3.41Å; L170-C200 HydrophobicContact CB-CB 4.08Å; L170-C200 HydrophobicContact CD1-CB 4.01Å; L170-C200 HydrophobicContact CD2-CB 3.92Å; L170-C200 HydrophobicContact CG-CB 4.2Å; L170-T203 HydrophobicContact CD1-CG2 4.17Å; L170-T203 HydrophobicContact CD2-CG2 4.22Å; L170-L204 HydrophobicContact CD1-CD2 4.21Å; L170-L204 HydrophobicContact CD1-CG 4.42Å | ||
| 171 | P | 88.7 | Confident | 90 | Very high | 65 Ų | 65 | 72.9 Ų | 72.9 | 42% | 0.422 | 35% | 0.347 | S | S | . | . | trans | -59.8 | 147.4 | 166.4 | -22.3 | 34.8 | 0 | 0 | 0 | 112.2 | A173 L199 | P171-A173 PolarHBondContact O-N 2.96Å; P171-L199 HydrophobicContact CB-CD1 4.35Å; P171-L199 HydrophobicContact CG-CB 4.07Å; P171-L199 HydrophobicContact CG-CD1 4.07Å | ||
| 172 | H | 87.3 | Confident | 90 | Very high | 161 Ų | 161 | 72.9 Ų | 72.9 | 75% | 0.745 | 35% | 0.347 | S | S | * | . | trans | -68.7 | 101.8 | -176 | -144.9 | 45.1 | 0 | 0 | 0 | 111.2 | L162 E165 | L162-H172 WeakPolarHBondContact CD2-CE1 3.17Å; E165-H172 IonicContact OE2-CE1 2.63Å; E165-H172 IonicContact OE2-CG 2.87Å; E165-H172 IonicContact OE2-ND1 3.85Å; E165-H172 PolarHBondContact OE2-ND1 3.01Å | ||
| 173 | A | 86.9 | Confident | 90.1 | Very high | 10 Ų | 10 | 75.5 Ų | 75.5 | 8% | 0.083 | 36% | 0.355 | C | S | . | . | trans | -108.1 | -16.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | M161 E165 P171 K175 A176 F177 L204 | M161-A173 HydrophobicContact CE-CB 3.87Å; E165-A173 WeakPolarHBondContact OE1-CA 3.43Å; E165-A173 PolarHBondContact OE1-N 3Å; P171-A173 PolarHBondContact O-N 2.96Å; A173-K175 PolarHBondContact O-N 3.48Å; A173-A176 PolarHBondContact O-N 3.38Å; A173-F177 HydrophobicContact CB-CE2 4.44Å; A173-L204 HydrophobicContact CB-CD1 4.27Å | ||
| 174 | G | 84 | Confident | 90.2 | Very high | 5 Ų | 5 | 76.6 Ų | 76.6 | 5% | 0.052 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -39 | -41.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q158 E165 A176 F177 Q178 | Q158-G174 PolarHBondContact NE2-O 2.95Å; Q158-G174 PolarHBondContact OE1-O 3.39Å; E165-G174 PolarHBondContact OE1-N 3.08Å; G174-A176 VanDerWaalsContact C-N 3.3Å; G174-A176 PolarHBondContact O-N 2.93Å; G174-F177 CarbonylContact O-C 3.19Å; G174-F177 WeakPolarHBondContact O-CA 3.48Å; G174-F177 PolarHBondContact O-N 3.42Å; G174-Q178 PolarHBondContact O-N 3.08Å; G174-Q178 VanDerWaalsContact O-N 3.12Å |
| 175 | K | 87.1 | Confident | 90.3 | Very high | 176 Ų | 176 | 76.6 Ų | 76.6 | 77% | 0.765 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -55.1 | -38.3 | 177.1 | -69.7 | -173.1 | 177.6 | -177.4 | 0 | 114 | A173 F177 Q178 | A173-K175 PolarHBondContact O-N 3.48Å; K175-F177 PolarHBondContact O-N 3.35Å; K175-Q178 WeakPolarHBondContact O-CG 3.44Å; K175-Q178 PolarHBondContact O-N 2.99Å |
| 176 | A | 88.8 | Confident | 90.4 | Very high | 46 Ų | 46 | 77.2 Ų | 77.2 | 38% | 0.38 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -70.6 | -10.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A173 G174 R196 | A173-A176 PolarHBondContact O-N 3.38Å; G174-A176 VanDerWaalsContact C-N 3.3Å; G174-A176 PolarHBondContact O-N 2.93Å; A176-R196 HydrophobicContact CB-CB 4.21Å; A176-R196 WeakPolarHBondContact O-CD 3.32Å |
| 177 | F | 90.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 74 Ų | 74 | 0% | 0.004 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -123.5 | 12.2 | -177.5 | -58.3 | -98.4 | 0 | 0 | 0 | 112.1 | Q158 M161 A173 G174 K175 E179 L180 L185 M188 F193 R196 L204 | Q158-F177 VanDerWaalsContact NE2-C 3.3Å; Q158-F177 PolarHBondContact NE2-O 3.13Å; M161-F177 HydrophobicContact CE-CB 4.3Å; M161-F177 HydrophobicContact CE-CD2 3.43Å; M161-F177 VanDerWaalsContact CE-CD2 3.43Å; M161-F177 HydrophobicContact CE-CE2 3.9Å; M161-F177 HydrophobicContact CE-CG 3.95Å; M161-F177 HydrophobicContact CG-CB 4.37Å; M161-F177 HydrophobicContact SD-CB 4.26Å; M161-F177 HydrophobicContact SD-CD2 4.12Å; M161-F177 HydrophobicContact SD-CG 4.05Å; A173-F177 HydrophobicContact CB-CE2 4.44Å; G174-F177 CarbonylContact O-C 3.19Å; G174-F177 WeakPolarHBondContact O-CA 3.48Å; G174-F177 PolarHBondContact O-N 3.42Å; K175-F177 PolarHBondContact O-N 3.35Å; F177-E179 VanDerWaalsContact C-N 3.29Å; F177-E179 PolarHBondContact O-N 3.21Å; F177-L180 HydrophobicContact CB-CD1 4.08Å; F177-L180 HydrophobicContact CD1-CD1 3.71Å; F177-L180 HydrophobicContact CG-CD1 4.29Å; F177-L185 HydrophobicContact CD1-CD1 3.81Å; F177-L185 HydrophobicContact CE1-CD1 4.45Å; F177-M188 HydrophobicContact CD1-CE 4.13Å; F177-M188 HydrophobicContact CE1-CE 3.88Å; F177-F193 HydrophobicContact CD1-CE1 4.28Å; F177-F193 AromaticContact CE1-CD1 3.55Å; F177-F193 HydrophobicContact CE1-CD1 3.55Å; F177-F193 AromaticContact CE1-CE1 3.54Å; F177-F193 HydrophobicContact CE1-CE1 3.54Å; F177-F193 HydrophobicContact CE1-CG 4.14Å; F177-F193 HydrophobicContact CE1-CZ 4.13Å; F177-F193 AromaticContact CZ-CD1 3.8Å; F177-F193 HydrophobicContact CZ-CD1 3.8Å; F177-F193 HydrophobicContact CZ-CE1 4.16Å; F177-F193 HydrophobicContact CZ-CG 4.45Å; F177-R196 HydrophobicContact CE1-CB 4.2Å; F177-R196 HydrophobicContact CE2-CB 3.96Å; F177-R196 HydrophobicContact CZ-CB 3.6Å; F177-R196 HydrophobicContact CZ-CG 4.45Å; F177-L204 HydrophobicContact CE2-CD1 4.25Å; F177-L204 HydrophobicContact CZ-CD1 4.36Å |
| 178 | Q | 89.6 | Confident | 90.8 | Very high | 96 Ų | 96 | 70.7 Ų | 70.7 | 45% | 0.449 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -25.1 | -172.9 | 77.4 | -175.1 | 14 | 0 | 0 | 113.9 | G174 K175 | G174-Q178 PolarHBondContact O-N 3.08Å; G174-Q178 VanDerWaalsContact O-N 3.12Å; K175-Q178 WeakPolarHBondContact O-CG 3.44Å; K175-Q178 PolarHBondContact O-N 2.99Å |
| 179 | E | 90.8 | Very high | 91 | Very high | 144 Ų | 144 | 67.9 Ų | 67.9 | 67% | 0.673 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 5.3 | -172.8 | -50.9 | -170.6 | 179.2 | 0 | 0 | 113 | F177 | F177-E179 VanDerWaalsContact C-N 3.29Å; F177-E179 PolarHBondContact O-N 3.21Å |
| 180 | L | 92.8 | Very high | 91.2 | Very high | 20 Ų | 20 | 60.6 Ų | 60.6 | 11% | 0.105 | 32% | 0.324 | C | S | . | . | trans | -98.8 | 136.7 | -173.2 | -59.2 | 173.9 | 0 | 0 | 0 | 111.6 | M154 F177 D184 L185 M188 | M154-L180 WeakPolarHBondContact CA-O 3.34Å; M154-L180 WeakPolarHBondContact CG-O 3.47Å; F177-L180 HydrophobicContact CB-CD1 4.08Å; F177-L180 HydrophobicContact CD1-CD1 3.71Å; F177-L180 HydrophobicContact CG-CD1 4.29Å; L180-D184 HydrophobicContact CB-CB 4.42Å; L180-D184 HydrophobicContact CD2-CB 3.97Å; L180-L185 HydrophobicContact CD1-CD1 4.1Å; L180-M188 HydrophobicContact CD1-CE 3.76Å; L180-M188 HydrophobicContact CD1-SD 3.6Å; L180-M188 HydrophobicContact CD2-SD 4.05Å; L180-M188 HydrophobicContact CG-SD 4.47Å | ||
| 181 | T | 94.7 | Very high | 91.4 | Very high | 47 Ų | 47 | 62.9 Ų | 62.9 | 29% | 0.288 | 33% | 0.334 | S | S | . | . | trans | -82.6 | 167.3 | 160.8 | 76.8 | 0 | 0 | 0 | 0 | 110.1 | M154 K183 D184 L185 | M154-T181 HydrophobicContact CG-CG2 4.24Å; T181-K183 PolarHBondContact O-N 3Å; T181-K183 PolarHBondContact OG1-N 2.69Å; T181-D184 WeakPolarHBondContact CA-OD2 3.49Å; T181-D184 VanDerWaalsContact CB-OD2 3.24Å; T181-D184 WeakPolarHBondContact CB-OD2 3.31Å; T181-D184 WeakPolarHBondContact CG2-OD2 3.18Å; T181-D184 PolarHBondContact N-OD2 3.09Å; T181-D184 PolarHBondContact O-N 3.02Å; T181-D184 PolarHBondContact OG1-OD2 2.81Å; T181-L185 WeakPolarHBondContact O-CB 3.41Å; T181-L185 PolarHBondContact O-N 3.12Å | ||
| 182 | G | 92.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.9 | -29 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P149 W152 C186 | P149-G182 CarbonylContact O-C 3.41Å; P149-G182 WeakPolarHBondContact O-CA 3.44Å; W152-G182 PolarHBondContact O-N 2.82Å; G182-C186 VanDerWaalsContact O-CB 3.32Å; G182-C186 WeakPolarHBondContact O-CB 3.34Å; G182-C186 PolarHBondContact O-N 3.28Å; G182-C186 PolarHBondContact O-SG 3.4Å |
| 183 | K | 93.5 | Very high | 92 | Very high | 140 Ų | 140 | 56.2 Ų | 56.2 | 61% | 0.609 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -71.8 | -45.1 | 177.2 | -63.3 | -173.6 | 178 | -179.4 | 0 | 111.7 | T150 T181 L185 C186 A187 | T150-K183 VanDerWaalsContact O-CE 3.29Å; T150-K183 WeakPolarHBondContact O-CE 3.43Å; T150-K183 VanDerWaalsContact O-CG 3.23Å; T150-K183 WeakPolarHBondContact O-CG 3.42Å; T181-K183 PolarHBondContact O-N 3Å; T181-K183 PolarHBondContact OG1-N 2.69Å; K183-L185 VanDerWaalsContact C-N 3.33Å; K183-C186 PolarHBondContact O-N 3Å; K183-A187 WeakPolarHBondContact O-CB 3.43Å; K183-A187 PolarHBondContact O-N 3.27Å |
| 184 | D | 94.5 | Very high | 92.4 | Very high | 73 Ų | 73 | 59.3 Ų | 59.3 | 39% | 0.39 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 176.8 | -43.5 | -58.8 | 0 | 0 | 0 | 109.8 | L180 T181 C186 A187 M188 | L180-D184 HydrophobicContact CB-CB 4.42Å; L180-D184 HydrophobicContact CD2-CB 3.97Å; T181-D184 WeakPolarHBondContact CA-OD2 3.49Å; T181-D184 VanDerWaalsContact CB-OD2 3.24Å; T181-D184 WeakPolarHBondContact CB-OD2 3.31Å; T181-D184 WeakPolarHBondContact CG2-OD2 3.18Å; T181-D184 PolarHBondContact N-OD2 3.09Å; T181-D184 PolarHBondContact O-N 3.02Å; T181-D184 PolarHBondContact OG1-OD2 2.81Å; D184-C186 VanDerWaalsContact C-N 3.32Å; D184-C186 PolarHBondContact O-N 2.83Å; D184-A187 PolarHBondContact O-N 3.13Å; D184-M188 WeakPolarHBondContact O-CG 3.42Å; D184-M188 PolarHBondContact O-N 3.41Å |
| 185 | L | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.3 | -39.6 | 176.4 | -166 | 79.6 | 0 | 0 | 0 | 112.6 | W152 V157 W160 F177 L180 T181 K183 M188 F193 L208 | W152-L185 HydrophobicContact CE3-CD2 4.26Å; W152-L185 HydrophobicContact CZ3-CD2 4.18Å; V157-L185 HydrophobicContact CG1-CD1 4.21Å; V157-L185 HydrophobicContact CG1-CD2 4.02Å; V157-L185 HydrophobicContact CG2-CD2 4.21Å; W160-L185 HydrophobicContact CE3-CD2 4.12Å; W160-L185 HydrophobicContact CZ3-CD2 3.88Å; F177-L185 HydrophobicContact CD1-CD1 3.81Å; F177-L185 HydrophobicContact CE1-CD1 4.45Å; L180-L185 HydrophobicContact CD1-CD1 4.1Å; T181-L185 WeakPolarHBondContact O-CB 3.41Å; T181-L185 PolarHBondContact O-N 3.12Å; K183-L185 VanDerWaalsContact C-N 3.33Å; L185-M188 HydrophobicContact CD1-CE 4.25Å; L185-F193 HydrophobicContact CD1-CE1 4.19Å; L185-F193 HydrophobicContact CD1-CE2 4.47Å; L185-F193 HydrophobicContact CD1-CZ 3.61Å; L185-F193 HydrophobicContact CG-CZ 3.94Å; L185-L208 HydrophobicContact CD2-CD1 3.99Å; L185-L208 HydrophobicContact CD2-CD2 3.98Å; L185-L208 HydrophobicContact CG-CD2 3.75Å; L185-L208 WeakPolarHBondContact O-CD2 3.34Å |
| 186 | C | 93.8 | Very high | 93.1 | Very high | 22 Ų | 22 | 61.7 Ų | 61.7 | 15% | 0.149 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -79 | -23.1 | 177.9 | -71.1 | 0 | 0 | 0 | 0 | 114.6 | P149 T150 G182 K183 D184 K212 | P149-C186 VanDerWaalsContact CB-SG 3.55Å; T150-C186 HydrophobicContact CG2-CB 4.23Å; G182-C186 VanDerWaalsContact O-CB 3.32Å; G182-C186 WeakPolarHBondContact O-CB 3.34Å; G182-C186 PolarHBondContact O-N 3.28Å; G182-C186 PolarHBondContact O-SG 3.4Å; K183-C186 PolarHBondContact O-N 3Å; D184-C186 VanDerWaalsContact C-N 3.32Å; D184-C186 PolarHBondContact O-N 2.83Å; C186-K212 HydrophobicContact CB-CD 4.41Å |
| 187 | A | 93.6 | Very high | 93.3 | Very high | 87 Ų | 87 | 60 Ų | 60 | 72% | 0.719 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -84.7 | -24.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K183 D184 | K183-A187 WeakPolarHBondContact O-CB 3.43Å; K183-A187 PolarHBondContact O-N 3.27Å; D184-A187 PolarHBondContact O-N 3.13Å |
| 188 | M | 92.6 | Very high | 93.3 | Very high | 13 Ų | 13 | 65.2 Ų | 65.2 | 6% | 0.064 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -62.8 | 144.5 | 174.3 | -80.3 | 160.5 | 29.6 | 0 | 0 | 112.6 | F177 L180 D184 L185 F193 R196 Y205 | F177-M188 HydrophobicContact CD1-CE 4.13Å; F177-M188 HydrophobicContact CE1-CE 3.88Å; L180-M188 HydrophobicContact CD1-CE 3.76Å; L180-M188 HydrophobicContact CD1-SD 3.6Å; L180-M188 HydrophobicContact CD2-SD 4.05Å; L180-M188 HydrophobicContact CG-SD 4.47Å; D184-M188 WeakPolarHBondContact O-CG 3.42Å; D184-M188 PolarHBondContact O-N 3.41Å; L185-M188 HydrophobicContact CD1-CE 4.25Å; M188-F193 HydrophobicContact CB-CD2 4.13Å; M188-F193 HydrophobicContact CB-CE2 3.91Å; M188-F193 HydrophobicContact CE-CD2 3.7Å; M188-F193 HydrophobicContact CE-CE2 3.42Å; M188-F193 VanDerWaalsContact CE-CE2 3.42Å; M188-F193 HydrophobicContact CE-CG 4.42Å; M188-F193 HydrophobicContact CE-CZ 3.91Å; M188-R196 VanDerWaalsContact SD-CZ 3.57Å; M188-R196 PolarHBondContact SD-NH1 3.29Å; M188-R196 VanDerWaalsContact SD-NH1 3.36Å; M188-Y205 WeakPolarHBondContact O-CE2 3.3Å |
| 189 | S | 94.6 | Very high | 93.2 | Very high | 49 Ų | 49 | 67.1 Ų | 67.1 | 34% | 0.343 | 35% | 0.348 | S | S | . | . | trans | -84 | 160.9 | 173.1 | 64.3 | 0 | 0 | 0 | 0 | 113 | E191 E192 F193 | S189-E191 PolarHBondContact O-N 3.44Å; S189-E192 WeakPolarHBondContact CB-OE2 3.49Å; S189-E192 PolarHBondContact N-OE2 3.44Å; S189-E192 PolarHBondContact O-N 2.86Å; S189-E192 VanDerWaalsContact O-N 3.09Å; S189-E192 WeakPolarHBondContact OG-CG 3.23Å; S189-E192 PolarHBondContact OG-N 3.07Å; S189-E192 PolarHBondContact OG-OE2 2.88Å; S189-F193 PolarHBondContact O-N 3.07Å; S189-F193 VanDerWaalsContact O-N 3.11Å | ||
| 190 | E | 94.9 | Very high | 93.3 | Very high | 84 Ų | 84 | 60.3 Ų | 60.3 | 39% | 0.393 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -54.2 | -37.3 | 173.4 | -169.2 | -150.7 | 103.2 | 0 | 0 | 112.5 | F193 R194 Y205 | E190-F193 WeakPolarHBondContact O-CB 3.32Å; E190-F193 PolarHBondContact O-N 3.09Å; E190-R194 PolarHBondContact O-N 2.95Å; E190-R194 IonicContact OE1-CZ 3.25Å; E190-R194 IonicContact OE1-NE 3.53Å; E190-R194 PolarHBondContact OE1-NE 2.98Å; E190-R194 IonicContact OE1-NH2 2.72Å; E190-R194 PolarHBondContact OE1-NH2 2.97Å; E190-Y205 HydrophobicContact CB-CD1 3.58Å; E190-Y205 HydrophobicContact CB-CD2 4.29Å; E190-Y205 HydrophobicContact CB-CE1 3.75Å; E190-Y205 HydrophobicContact CB-CE2 4.42Å; E190-Y205 HydrophobicContact CB-CG 3.87Å; E190-Y205 HydrophobicContact CG-CD1 3.66Å; E190-Y205 HydrophobicContact CG-CE1 4.25Å; E190-Y205 HydrophobicContact CG-CG 4Å |
| 191 | E | 94.3 | Very high | 93.3 | Very high | 82 Ų | 82 | 59.3 Ų | 59.3 | 38% | 0.383 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 176.7 | -170.4 | 60.8 | -125.7 | 0 | 0 | 110.7 | S189 F193 R194 Q195 | S189-E191 PolarHBondContact O-N 3.44Å; E191-F193 PolarHBondContact O-N 3.5Å; E191-R194 CarbonylContact O-C 3.57Å; E191-R194 PolarHBondContact O-N 3.09Å; E191-R194 VanDerWaalsContact O-N 3.08Å; E191-R194 IonicContact OE1-NH1 3.18Å; E191-R194 PolarHBondContact OE1-NH1 3.32Å; E191-R194 IonicContact OE2-CZ 2.69Å; E191-R194 IonicContact OE2-NH1 2.78Å; E191-R194 PolarHBondContact OE2-NH1 3.01Å; E191-R194 IonicContact OE2-NH2 3.63Å; E191-R194 PolarHBondContact OE2-NH2 2.63Å; E191-Q195 HydrophobicContact CG-CG 4.47Å; E191-Q195 VanDerWaalsContact O-CG 3.3Å; E191-Q195 WeakPolarHBondContact O-CG 3.45Å; E191-Q195 PolarHBondContact O-N 3.08Å; E191-Q195 PolarHBondContact OE1-NE2 2.56Å |
| 192 | E | 93.6 | Very high | 93.2 | Very high | 85 Ų | 85 | 61 Ų | 61 | 40% | 0.397 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.4 | -25.5 | 177.8 | -67.8 | 164.3 | 98.8 | 0 | 0 | 113.3 | S189 R196 | S189-E192 WeakPolarHBondContact CB-OE2 3.49Å; S189-E192 PolarHBondContact N-OE2 3.44Å; S189-E192 PolarHBondContact O-N 2.86Å; S189-E192 VanDerWaalsContact O-N 3.09Å; S189-E192 WeakPolarHBondContact OG-CG 3.23Å; S189-E192 PolarHBondContact OG-N 3.07Å; S189-E192 PolarHBondContact OG-OE2 2.88Å; E192-R196 WeakPolarHBondContact O-CB 3.45Å; E192-R196 WeakPolarHBondContact O-CG 3.44Å; E192-R196 PolarHBondContact O-N 2.84Å |
| 193 | F | 94.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.6 | -47.6 | 167.5 | -93.6 | -100.2 | 0 | 0 | 0 | 111.6 | F177 L185 M188 S189 E190 E191 Q195 R196 S197 G201 L204 Y205 L208 | F177-F193 HydrophobicContact CD1-CE1 4.28Å; F177-F193 AromaticContact CE1-CD1 3.55Å; F177-F193 HydrophobicContact CE1-CD1 3.55Å; F177-F193 AromaticContact CE1-CE1 3.54Å; F177-F193 HydrophobicContact CE1-CE1 3.54Å; F177-F193 HydrophobicContact CE1-CG 4.14Å; F177-F193 HydrophobicContact CE1-CZ 4.13Å; F177-F193 AromaticContact CZ-CD1 3.8Å; F177-F193 HydrophobicContact CZ-CD1 3.8Å; F177-F193 HydrophobicContact CZ-CE1 4.16Å; F177-F193 HydrophobicContact CZ-CG 4.45Å; L185-F193 HydrophobicContact CD1-CE1 4.19Å; L185-F193 HydrophobicContact CD1-CE2 4.47Å; L185-F193 HydrophobicContact CD1-CZ 3.61Å; L185-F193 HydrophobicContact CG-CZ 3.94Å; M188-F193 HydrophobicContact CB-CD2 4.13Å; M188-F193 HydrophobicContact CB-CE2 3.91Å; M188-F193 HydrophobicContact CE-CD2 3.7Å; M188-F193 HydrophobicContact CE-CE2 3.42Å; M188-F193 VanDerWaalsContact CE-CE2 3.42Å; M188-F193 HydrophobicContact CE-CG 4.42Å; M188-F193 HydrophobicContact CE-CZ 3.91Å; S189-F193 PolarHBondContact O-N 3.07Å; S189-F193 VanDerWaalsContact O-N 3.11Å; E190-F193 WeakPolarHBondContact O-CB 3.32Å; E190-F193 PolarHBondContact O-N 3.09Å; E191-F193 PolarHBondContact O-N 3.5Å; F193-Q195 VanDerWaalsContact C-N 3.34Å; F193-Q195 PolarHBondContact O-N 3.35Å; F193-R196 PolarHBondContact O-N 3.34Å; F193-S197 PolarHBondContact O-N 3.38Å; F193-G201 WeakPolarHBondContact CB-O 3.37Å; F193-L204 HydrophobicContact CD1-CB 3.91Å; F193-L204 HydrophobicContact CE1-CB 4.04Å; F193-Y205 AromaticContact CD2-CD2 3.6Å; F193-Y205 HydrophobicContact CD2-CD2 3.6Å; F193-Y205 HydrophobicContact CD2-CE2 4.48Å; F193-Y205 HydrophobicContact CD2-CG 4.39Å; F193-Y205 AromaticContact CE2-CD2 3.81Å; F193-Y205 HydrophobicContact CE2-CD2 3.81Å; F193-Y205 HydrophobicContact CG-CD2 4.15Å; F193-L208 HydrophobicContact CE2-CD2 4.16Å; F193-L208 HydrophobicContact CZ-CD2 3.67Å |
| 194 | R | 94.3 | Very high | 93.2 | Very high | 76 Ų | 76 | 56.7 Ų | 56.7 | 29% | 0.287 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65 | -33.5 | 176.6 | -75.8 | -168.9 | -80.7 | 91.4 | 1.4 | 112.8 | E190 E191 S197 P198 D202 | E190-R194 PolarHBondContact O-N 2.95Å; E190-R194 IonicContact OE1-CZ 3.25Å; E190-R194 IonicContact OE1-NE 3.53Å; E190-R194 PolarHBondContact OE1-NE 2.98Å; E190-R194 IonicContact OE1-NH2 2.72Å; E190-R194 PolarHBondContact OE1-NH2 2.97Å; E191-R194 CarbonylContact O-C 3.57Å; E191-R194 PolarHBondContact O-N 3.09Å; E191-R194 VanDerWaalsContact O-N 3.08Å; E191-R194 IonicContact OE1-NH1 3.18Å; E191-R194 PolarHBondContact OE1-NH1 3.32Å; E191-R194 IonicContact OE2-CZ 2.69Å; E191-R194 IonicContact OE2-NH1 2.78Å; E191-R194 PolarHBondContact OE2-NH1 3.01Å; E191-R194 IonicContact OE2-NH2 3.63Å; E191-R194 PolarHBondContact OE2-NH2 2.63Å; R194-S197 CarbonylContact O-C 3.46Å; R194-P198 VanDerWaalsContact O-CA 3.22Å; R194-P198 WeakPolarHBondContact O-CA 3.32Å; R194-P198 WeakPolarHBondContact O-CD 3.26Å; R194-P198 WeakPolarHBondContact O-CG 3.35Å; R194-D202 HydrophobicContact CG-CB 4.2Å |
| 195 | Q | 94.3 | Very high | 93.2 | Very high | 138 Ų | 138 | 55.7 Ų | 55.7 | 65% | 0.645 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -69.7 | -34.9 | 172.7 | -63.7 | -58.4 | -37.5 | 0 | 0 | 112.3 | E191 F193 | E191-Q195 HydrophobicContact CG-CG 4.47Å; E191-Q195 VanDerWaalsContact O-CG 3.3Å; E191-Q195 WeakPolarHBondContact O-CG 3.45Å; E191-Q195 PolarHBondContact O-N 3.08Å; E191-Q195 PolarHBondContact OE1-NE2 2.56Å; F193-Q195 VanDerWaalsContact C-N 3.34Å; F193-Q195 PolarHBondContact O-N 3.35Å |
| 196 | R | 91.9 | Very high | 93.2 | Very high | 92 Ų | 92 | 58.3 Ų | 58.3 | 35% | 0.347 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -73.9 | -35.7 | 173.9 | -81.6 | -178.1 | 175.1 | 89.2 | -8.3 | 113.6 | A176 F177 M188 E192 F193 | A176-R196 HydrophobicContact CB-CB 4.21Å; A176-R196 WeakPolarHBondContact O-CD 3.32Å; F177-R196 HydrophobicContact CE1-CB 4.2Å; F177-R196 HydrophobicContact CE2-CB 3.96Å; F177-R196 HydrophobicContact CZ-CB 3.6Å; F177-R196 HydrophobicContact CZ-CG 4.45Å; M188-R196 VanDerWaalsContact SD-CZ 3.57Å; M188-R196 PolarHBondContact SD-NH1 3.29Å; M188-R196 VanDerWaalsContact SD-NH1 3.36Å; E192-R196 WeakPolarHBondContact O-CB 3.45Å; E192-R196 WeakPolarHBondContact O-CG 3.44Å; E192-R196 PolarHBondContact O-N 2.84Å; F193-R196 PolarHBondContact O-N 3.34Å |
| 197 | S | 92.5 | Very high | 93.2 | Very high | 12 Ų | 12 | 57.9 Ų | 57.9 | 8% | 0.084 | 31% | 0.312 | C | S | . | . | trans | -141.6 | 93.2 | 175 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | F193 R194 L199 C200 G201 | F193-S197 PolarHBondContact O-N 3.38Å; R194-S197 CarbonylContact O-C 3.46Å; S197-L199 PolarHBondContact O-N 3.15Å; S197-C200 PolarHBondContact O-N 3.19Å; S197-C200 PolarHBondContact OG-SG 3.34Å; S197-G201 WeakPolarHBondContact O-CA 3.34Å; S197-G201 PolarHBondContact O-N 3.08Å | ||
| 198 | P | 90.9 | Very high | 93.2 | Very high | 110 Ų | 110 | 53.8 Ų | 53.8 | 71% | 0.714 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -9.2 | 179.5 | -25.3 | 35.2 | 0 | 0 | 0 | 115.2 | R194 | R194-P198 VanDerWaalsContact O-CA 3.22Å; R194-P198 WeakPolarHBondContact O-CA 3.32Å; R194-P198 WeakPolarHBondContact O-CD 3.26Å; R194-P198 WeakPolarHBondContact O-CG 3.35Å |
| 199 | L | 88.7 | Confident | 93.2 | Very high | 136 Ų | 136 | 56.1 Ų | 56.1 | 71% | 0.712 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -15.7 | -177 | -60.8 | 177.8 | 0 | 0 | 0 | 114.2 | P171 S197 | P171-L199 HydrophobicContact CB-CD1 4.35Å; P171-L199 HydrophobicContact CG-CB 4.07Å; P171-L199 HydrophobicContact CG-CD1 4.07Å; S197-L199 PolarHBondContact O-N 3.15Å |
| 200 | C | 92.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -159.2 | 6.2 | -177.2 | 61.9 | 0 | 0 | 0 | 0 | 115.4 | L170 S197 D202 T203 L204 | L170-C200 HydrophobicContact CB-CB 4.08Å; L170-C200 HydrophobicContact CD1-CB 4.01Å; L170-C200 HydrophobicContact CD2-CB 3.92Å; L170-C200 HydrophobicContact CG-CB 4.2Å; S197-C200 PolarHBondContact O-N 3.19Å; S197-C200 PolarHBondContact OG-SG 3.34Å; C200-D202 VanDerWaalsContact C-N 3.29Å; C200-D202 PolarHBondContact O-N 3.34Å; C200-T203 WeakPolarHBondContact O-CB 3.29Å; C200-T203 PolarHBondContact O-N 3.33Å; C200-T203 VanDerWaalsContact O-N 3.12Å; C200-L204 WeakPolarHBondContact O-CG 3.36Å; C200-L204 PolarHBondContact O-N 2.79Å |
| 201 | G | 92.7 | Very high | 93 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -34.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F193 S197 Y205 | F193-G201 WeakPolarHBondContact CB-O 3.37Å; S197-G201 WeakPolarHBondContact O-CA 3.34Å; S197-G201 PolarHBondContact O-N 3.08Å; G201-Y205 VanDerWaalsContact O-CB 3.29Å; G201-Y205 WeakPolarHBondContact O-CB 3.05Å; G201-Y205 PolarHBondContact O-N 2.94Å |
| 202 | D | 92.6 | Very high | 92.8 | Very high | 81 Ų | 81 | 51.7 Ų | 51.7 | 43% | 0.433 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.7 | -47.1 | 170.9 | 53.2 | -4.3 | 0 | 0 | 0 | 112.6 | R194 C200 Y205 A206 | R194-D202 HydrophobicContact CG-CB 4.2Å; C200-D202 VanDerWaalsContact C-N 3.29Å; C200-D202 PolarHBondContact O-N 3.34Å; D202-Y205 PolarHBondContact O-N 2.84Å; D202-A206 WeakPolarHBondContact O-CB 3.23Å; D202-A206 PolarHBondContact O-N 3.11Å |
| 203 | T | 92.8 | Very high | 92.6 | Very high | 50 Ų | 50 | 50.2 Ų | 50.2 | 31% | 0.307 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.7 | -42.2 | -178.8 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | Y168 L170 C200 H207 | Y168-T203 HydrophobicContact CD2-CG2 4.39Å; Y168-T203 HydrophobicContact CG-CG2 4.36Å; L170-T203 HydrophobicContact CD1-CG2 4.17Å; L170-T203 HydrophobicContact CD2-CG2 4.22Å; C200-T203 WeakPolarHBondContact O-CB 3.29Å; C200-T203 PolarHBondContact O-N 3.33Å; C200-T203 VanDerWaalsContact O-N 3.12Å; T203-H207 VanDerWaalsContact O-CB 3.3Å; T203-H207 WeakPolarHBondContact O-CB 3.49Å; T203-H207 PolarHBondContact O-N 2.84Å |
| 204 | L | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 173.5 | -69.9 | 169.3 | 0 | 0 | 0 | 111.6 | W160 M161 T164 L170 A173 F177 F193 C200 H207 L208 | W160-L204 WeakPolarHBondContact CH2-O 3.48Å; M161-L204 HydrophobicContact CE-CD1 3.74Å; M161-L204 HydrophobicContact CE-CD2 4.16Å; M161-L204 HydrophobicContact SD-CD1 4.21Å; M161-L204 HydrophobicContact SD-CD2 3.96Å; T164-L204 HydrophobicContact CG2-CD2 3.83Å; L170-L204 HydrophobicContact CD1-CD2 4.21Å; L170-L204 HydrophobicContact CD1-CG 4.42Å; A173-L204 HydrophobicContact CB-CD1 4.27Å; F177-L204 HydrophobicContact CE2-CD1 4.25Å; F177-L204 HydrophobicContact CZ-CD1 4.36Å; F193-L204 HydrophobicContact CD1-CB 3.91Å; F193-L204 HydrophobicContact CE1-CB 4.04Å; C200-L204 WeakPolarHBondContact O-CG 3.36Å; C200-L204 PolarHBondContact O-N 2.79Å; L204-H207 PolarHBondContact O-N 2.95Å; L204-L208 WeakPolarHBondContact O-CB 3.4Å; L204-L208 PolarHBondContact O-N 2.93Å |
| 205 | Y | 95.1 | Very high | 91.7 | Very high | 53 Ų | 53 | 47.4 Ų | 47.4 | 21% | 0.208 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.2 | -46.9 | 178.1 | -176.9 | -96.4 | 0 | 0 | 0 | 112 | M188 E190 F193 G201 D202 H207 L208 D209 | M188-Y205 WeakPolarHBondContact O-CE2 3.3Å; E190-Y205 HydrophobicContact CB-CD1 3.58Å; E190-Y205 HydrophobicContact CB-CD2 4.29Å; E190-Y205 HydrophobicContact CB-CE1 3.75Å; E190-Y205 HydrophobicContact CB-CE2 4.42Å; E190-Y205 HydrophobicContact CB-CG 3.87Å; E190-Y205 HydrophobicContact CG-CD1 3.66Å; E190-Y205 HydrophobicContact CG-CE1 4.25Å; E190-Y205 HydrophobicContact CG-CG 4Å; F193-Y205 AromaticContact CD2-CD2 3.6Å; F193-Y205 HydrophobicContact CD2-CD2 3.6Å; F193-Y205 HydrophobicContact CD2-CE2 4.48Å; F193-Y205 HydrophobicContact CD2-CG 4.39Å; F193-Y205 AromaticContact CE2-CD2 3.81Å; F193-Y205 HydrophobicContact CE2-CD2 3.81Å; F193-Y205 HydrophobicContact CG-CD2 4.15Å; G201-Y205 VanDerWaalsContact O-CB 3.29Å; G201-Y205 WeakPolarHBondContact O-CB 3.05Å; G201-Y205 PolarHBondContact O-N 2.94Å; D202-Y205 PolarHBondContact O-N 2.84Å; Y205-H207 VanDerWaalsContact C-N 3.29Å; Y205-H207 PolarHBondContact O-N 3.05Å; Y205-L208 WeakPolarHBondContact O-CB 3.42Å; Y205-L208 PolarHBondContact O-N 3.23Å; Y205-L208 VanDerWaalsContact O-N 3.14Å; Y205-D209 PolarHBondContact O-N 2.97Å |
| 206 | A | 93.9 | Very high | 90.8 | Very high | 55 Ų | 55 | 48.3 Ų | 48.3 | 46% | 0.455 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60 | -40.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D202 D209 I210 | D202-A206 WeakPolarHBondContact O-CB 3.23Å; D202-A206 PolarHBondContact O-N 3.11Å; A206-D209 PolarHBondContact O-N 3.39Å; A206-I210 WeakPolarHBondContact O-CG1 3.29Å; A206-I210 PolarHBondContact O-N 3.41Å |
| 207 | H | 93.3 | Very high | 89.7 | Confident | 13 Ų | 13 | 47.6 Ų | 47.6 | 6% | 0.06 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.2 | -38.2 | 174.9 | -164.8 | 74.9 | 0 | 0 | 0 | 112.2 | W160 W163 T164 Y168 T203 L204 Y205 D209 I210 W211 | W160-H207 AromaticContact CZ2-CD2 3.95Å; W160-H207 AromaticContact NE1-CD2 3.54Å; W163-H207 AromaticContact CZ3-NE2 3.45Å; W163-H207 WeakPolarHBondContact CZ3-NE2 3.38Å; T164-H207 HydrophobicContact CG2-CB 4.15Å; Y168-H207 HydrophobicContact CE2-CB 4.32Å; Y168-H207 AromaticContact CE2-CE1 3.93Å; Y168-H207 AromaticContact CE2-CG 3.85Å; Y168-H207 AromaticContact CE2-ND1 3.44Å; Y168-H207 WeakPolarHBondContact CE2-ND1 3.41Å; Y168-H207 AromaticContact CZ-ND1 3.66Å; Y168-H207 PolarHBondContact OH-CE1 2.98Å; Y168-H207 PolarHBondContact OH-ND1 2.58Å; T203-H207 VanDerWaalsContact O-CB 3.3Å; T203-H207 WeakPolarHBondContact O-CB 3.49Å; T203-H207 PolarHBondContact O-N 2.84Å; L204-H207 PolarHBondContact O-N 2.95Å; Y205-H207 VanDerWaalsContact C-N 3.29Å; Y205-H207 PolarHBondContact O-N 3.05Å; H207-D209 PolarHBondContact O-N 2.84Å; H207-I210 WeakPolarHBondContact O-CB 3.32Å; H207-I210 PolarHBondContact O-N 2.84Å; H207-W211 AromaticContact CD2-CD1 3.78Å; H207-W211 AromaticContact CD2-NE1 3.56Å; H207-W211 AromaticContact CE1-NE1 3.81Å; H207-W211 AromaticContact NE2-CD1 3.56Å; H207-W211 AromaticContact NE2-NE1 2.95Å; H207-W211 PolarHBondContact NE2-NE1 3.32Å; H207-W211 VanDerWaalsContact O-CD1 3.28Å; H207-W211 PolarHBondContact O-N 3.27Å |
| 208 | L | 94 | Very high | 88.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 173.8 | -178.8 | 62.9 | 0 | 0 | 0 | 112.3 | P149 W152 W160 L185 F193 L204 Y205 I210 W211 K212 | P149-L208 HydrophobicContact CB-CD1 3.72Å; P149-L208 HydrophobicContact CG-CD1 3.98Å; W152-L208 HydrophobicContact CZ3-CD1 4.19Å; W160-L208 HydrophobicContact CH2-CB 3.84Å; W160-L208 HydrophobicContact CH2-CD1 4.34Å; W160-L208 HydrophobicContact CZ2-CB 3.8Å; W160-L208 HydrophobicContact CZ2-CD1 4.22Å; L185-L208 HydrophobicContact CD2-CD1 3.99Å; L185-L208 HydrophobicContact CD2-CD2 3.98Å; L185-L208 HydrophobicContact CG-CD2 3.75Å; L185-L208 WeakPolarHBondContact O-CD2 3.34Å; F193-L208 HydrophobicContact CE2-CD2 4.16Å; F193-L208 HydrophobicContact CZ-CD2 3.67Å; L204-L208 WeakPolarHBondContact O-CB 3.4Å; L204-L208 PolarHBondContact O-N 2.93Å; Y205-L208 WeakPolarHBondContact O-CB 3.42Å; Y205-L208 PolarHBondContact O-N 3.23Å; Y205-L208 VanDerWaalsContact O-N 3.14Å; L208-I210 VanDerWaalsContact C-N 3.3Å; L208-I210 PolarHBondContact O-N 2.91Å; L208-W211 PolarHBondContact O-N 3.2Å; L208-W211 VanDerWaalsContact O-N 3.09Å; L208-K212 HydrophobicContact CD2-CD 4.46Å; L208-K212 HydrophobicContact CG-CD 3.95Å; L208-K212 HydrophobicContact CG-CG 4.42Å; L208-K212 WeakPolarHBondContact O-CG 3.47Å; L208-K212 PolarHBondContact O-N 3.1Å |
| 209 | D | 92.8 | Very high | 86.3 | Confident | 63 Ų | 63 | 52.9 Ų | 52.9 | 34% | 0.337 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.5 | -29.1 | -179.3 | -149.7 | 63.9 | 0 | 0 | 0 | 112.7 | Y205 A206 H207 K212 S213 | Y205-D209 PolarHBondContact O-N 2.97Å; A206-D209 PolarHBondContact O-N 3.39Å; H207-D209 PolarHBondContact O-N 2.84Å; D209-K212 PolarHBondContact O-N 3.09Å; D209-K212 VanDerWaalsContact OD1-CE 3.31Å; D209-K212 WeakPolarHBondContact OD1-CE 3.42Å; D209-K212 IonicContact OD1-NZ 2.79Å; D209-K212 PolarHBondContact OD1-NZ 3.43Å; D209-S213 VanDerWaalsContact O-CB 3.26Å; D209-S213 WeakPolarHBondContact O-CB 3.3Å; D209-S213 PolarHBondContact O-N 3.09Å; D209-S213 PolarHBondContact O-OG 3.47Å |
| 210 | I | 91.8 | Very high | 84.5 | Confident | 69 Ų | 69 | 55 Ų | 55 | 35% | 0.354 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 165.7 | -74.6 | 167.5 | 0 | 0 | 0 | 111.2 | V132 I136 A206 H207 L208 S213 A214 | V132-I210 HydrophobicContact CG1-CG2 3.38Å; I136-I210 HydrophobicContact CD1-CG2 4.08Å; A206-I210 WeakPolarHBondContact O-CG1 3.29Å; A206-I210 PolarHBondContact O-N 3.41Å; H207-I210 WeakPolarHBondContact O-CB 3.32Å; H207-I210 PolarHBondContact O-N 2.84Å; L208-I210 VanDerWaalsContact C-N 3.3Å; L208-I210 PolarHBondContact O-N 2.91Å; I210-S213 PolarHBondContact O-N 3.04Å; I210-A214 PolarHBondContact O-N 2.97Å |
| 211 | W | 92.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 176.8 | -77.8 | 68.7 | 0 | 0 | 0 | 112.6 | I136 A139 I145 P149 W152 W160 W163 H207 L208 S213 A214 A215 | I136-W211 HydrophobicContact CD1-CG 4.31Å; I136-W211 HydrophobicContact CG1-CD2 4.11Å; I136-W211 HydrophobicContact CG1-CG 4.33Å; I136-W211 HydrophobicContact CG1-CZ2 4.41Å; I136-W211 HydrophobicContact CG2-CD2 4.04Å; I136-W211 HydrophobicContact CG2-CE3 3.74Å; I136-W211 HydrophobicContact CG2-CH2 4.14Å; I136-W211 HydrophobicContact CG2-CZ2 4.39Å; I136-W211 HydrophobicContact CG2-CZ3 3.81Å; A139-W211 HydrophobicContact CB-CH2 3.81Å; A139-W211 HydrophobicContact CB-CZ2 3.71Å; I145-W211 HydrophobicContact CD1-CH2 3.94Å; I145-W211 HydrophobicContact CD1-CZ3 4.17Å; I145-W211 HydrophobicContact CG1-CH2 4.42Å; I145-W211 HydrophobicContact CG1-CZ3 4.49Å; P149-W211 HydrophobicContact CG-CB 3.51Å; P149-W211 HydrophobicContact CG-CG 4.5Å; W152-W211 HydrophobicContact CH2-CD2 4.16Å; W152-W211 AromaticContact CH2-CE3 3.99Å; W152-W211 HydrophobicContact CH2-CE3 3.99Å; W152-W211 HydrophobicContact CH2-CZ3 4.37Å; W152-W211 HydrophobicContact CZ2-CD2 4.16Å; W152-W211 AromaticContact CZ2-CE3 3.52Å; W152-W211 HydrophobicContact CZ2-CE3 3.52Å; W152-W211 HydrophobicContact CZ2-CH2 4.4Å; W152-W211 AromaticContact CZ2-CZ3 3.65Å; W152-W211 HydrophobicContact CZ2-CZ3 3.65Å; W160-W211 AromaticContact CD1-CE2 3.83Å; W160-W211 AromaticContact CD1-CZ2 3.91Å; W160-W211 AromaticContact NE1-CD1 3.85Å; W160-W211 AromaticContact NE1-CE2 3.79Å; W160-W211 AromaticContact NE1-NE1 3.53Å; W163-W211 HydrophobicContact CE3-CZ2 4.46Å; W163-W211 AromaticContact CZ3-CZ2 3.93Å; W163-W211 HydrophobicContact CZ3-CZ2 3.93Å; H207-W211 AromaticContact CD2-CD1 3.78Å; H207-W211 AromaticContact CD2-NE1 3.56Å; H207-W211 AromaticContact CE1-NE1 3.81Å; H207-W211 AromaticContact NE2-CD1 3.56Å; H207-W211 AromaticContact NE2-NE1 2.95Å; H207-W211 PolarHBondContact NE2-NE1 3.32Å; H207-W211 VanDerWaalsContact O-CD1 3.28Å; H207-W211 PolarHBondContact O-N 3.27Å; L208-W211 PolarHBondContact O-N 3.2Å; L208-W211 VanDerWaalsContact O-N 3.09Å; W211-S213 VanDerWaalsContact C-N 3.32Å; W211-S213 PolarHBondContact O-N 3.1Å; W211-A214 WeakPolarHBondContact O-CB 3.41Å; W211-A214 PolarHBondContact O-N 2.84Å; W211-A215 PolarHBondContact O-N 3.5Å |
| 212 | K | 90.5 | Very high | 79.6 | Confident | 53 Ų | 53 | 63.2 Ų | 63.2 | 23% | 0.23 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.5 | -44 | 173.3 | -72.1 | 160.8 | 58.7 | -161 | 0 | 111.2 | P149 C186 L208 D209 A214 A215 W216 | P149-K212 HydrophobicContact CG-CG 4.43Å; C186-K212 HydrophobicContact CB-CD 4.41Å; L208-K212 HydrophobicContact CD2-CD 4.46Å; L208-K212 HydrophobicContact CG-CD 3.95Å; L208-K212 HydrophobicContact CG-CG 4.42Å; L208-K212 WeakPolarHBondContact O-CG 3.47Å; L208-K212 PolarHBondContact O-N 3.1Å; D209-K212 PolarHBondContact O-N 3.09Å; D209-K212 VanDerWaalsContact OD1-CE 3.31Å; D209-K212 WeakPolarHBondContact OD1-CE 3.42Å; D209-K212 IonicContact OD1-NZ 2.79Å; D209-K212 PolarHBondContact OD1-NZ 3.43Å; K212-A214 PolarHBondContact O-N 2.66Å; K212-A215 PolarHBondContact O-N 3.36Å; K212-W216 PolarHBondContact O-N 3.19Å; K212-W216 VanDerWaalsContact O-N 3.09Å |
| 213 | S | 88.5 | Confident | 76.9 | Confident | 53 Ų | 53 | 62.6 Ų | 62.6 | 37% | 0.371 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 175.8 | -65 | 0 | 0 | 0 | 0 | 112.5 | D209 I210 W211 M217 | D209-S213 VanDerWaalsContact O-CB 3.26Å; D209-S213 WeakPolarHBondContact O-CB 3.3Å; D209-S213 PolarHBondContact O-N 3.09Å; D209-S213 PolarHBondContact O-OG 3.47Å; I210-S213 PolarHBondContact O-N 3.04Å; W211-S213 VanDerWaalsContact C-N 3.32Å; W211-S213 PolarHBondContact O-N 3.1Å; S213-M217 WeakPolarHBondContact O-CE 3.44Å; S213-M217 WeakPolarHBondContact O-CG 3.11Å; S213-M217 PolarHBondContact O-N 2.86Å; S213-M217 VanDerWaalsContact O-N 3.1Å |
| 214 | A | 86.2 | Confident | 74.7 | Confident | 9 Ų | 9 | 66.1 Ų | 66.1 | 7% | 0.074 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.6 | -43 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L133 I136 I210 W211 K212 M217 K218 | L133-A214 HydrophobicContact CD2-CB 3.57Å; I136-A214 HydrophobicContact CD1-CB 3.5Å; I210-A214 PolarHBondContact O-N 2.97Å; W211-A214 WeakPolarHBondContact O-CB 3.41Å; W211-A214 PolarHBondContact O-N 2.84Å; K212-A214 PolarHBondContact O-N 2.66Å; A214-M217 PolarHBondContact O-N 2.72Å; A214-K218 PolarHBondContact O-N 2.89Å; A214-K218 VanDerWaalsContact O-N 3.1Å |
| 215 | A | 85.1 | Confident | 72.2 | Confident | 9 Ų | 9 | 72.3 Ų | 72.3 | 7% | 0.074 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.9 | -48.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D148 W211 K212 M217 K218 E219 | D148-A215 HydrophobicContact CB-CB 4.08Å; W211-A215 PolarHBondContact O-N 3.5Å; K212-A215 PolarHBondContact O-N 3.36Å; A215-M217 VanDerWaalsContact C-N 3.31Å; A215-M217 PolarHBondContact O-N 2.87Å; A215-K218 VanDerWaalsContact O-CB 3.29Å; A215-K218 WeakPolarHBondContact O-CB 3.29Å; A215-K218 PolarHBondContact O-N 3.46Å; A215-E219 PolarHBondContact O-N 3.45Å; A215-E219 VanDerWaalsContact O-N 3.09Å |
| 216 | W | 75.6 | Confident | 69.4 | Low | 157 Ų | 157 | 76 Ų | 76 | 60% | 0.595 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -60.7 | -36.2 | 176.5 | -177.2 | -116.5 | 0 | 0 | 0 | 113.3 | K212 K218 R220 | K212-W216 PolarHBondContact O-N 3.19Å; K212-W216 VanDerWaalsContact O-N 3.09Å; W216-K218 VanDerWaalsContact C-N 3.34Å; W216-R220 WeakPolarHBondContact O-CG 3.32Å; W216-R220 PolarHBondContact O-N 3.07Å |
| 217 | M | 67.1 | Low | 66.7 | Low | 77 Ų | 77 | 83.3 Ų | 83.3 | 38% | 0.379 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.9 | -32.2 | 174 | -75.6 | -171.5 | -74.2 | 0 | 0 | 112.9 | V129 L133 S213 A214 A215 | V129-M217 HydrophobicContact CG1-CE 3.95Å; V129-M217 HydrophobicContact CG1-SD 4.18Å; L133-M217 HydrophobicContact CD2-CE 4.42Å; S213-M217 WeakPolarHBondContact O-CE 3.44Å; S213-M217 WeakPolarHBondContact O-CG 3.11Å; S213-M217 PolarHBondContact O-N 2.86Å; S213-M217 VanDerWaalsContact O-N 3.1Å; A214-M217 PolarHBondContact O-N 2.72Å; A215-M217 VanDerWaalsContact C-N 3.31Å; A215-M217 PolarHBondContact O-N 2.87Å |
| 218 | K | 62.6 | Low | 63.9 | Low | 125 Ų | 125 | 86.8 Ų | 86.8 | 54% | 0.543 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.4 | -45.6 | 175.5 | -170.9 | -172.7 | -178 | -171.7 | 0 | 111.4 | S147 A214 A215 W216 R220 C221 S222 | S147-K218 PolarHBondContact OG-NZ 3.3Å; A214-K218 PolarHBondContact O-N 2.89Å; A214-K218 VanDerWaalsContact O-N 3.1Å; A215-K218 VanDerWaalsContact O-CB 3.29Å; A215-K218 WeakPolarHBondContact O-CB 3.29Å; A215-K218 PolarHBondContact O-N 3.46Å; W216-K218 VanDerWaalsContact C-N 3.34Å; K218-R220 VanDerWaalsContact C-N 3.32Å; K218-R220 PolarHBondContact O-N 3.15Å; K218-C221 WeakPolarHBondContact O-CB 3.14Å; K218-C221 PolarHBondContact O-N 2.87Å; K218-S222 PolarHBondContact O-N 3.33Å |
| 219 | E | 51.4 | Low | 61 | Low | 107 Ų | 107 | 94.3 Ų | 94.3 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 179.8 | -170.5 | 174.4 | -157.1 | 0 | 0 | 112.3 | A215 C221 S222 A223 | A215-E219 PolarHBondContact O-N 3.45Å; A215-E219 VanDerWaalsContact O-N 3.09Å; E219-C221 PolarHBondContact O-N 3.21Å; E219-C221 VanDerWaalsContact O-N 3.09Å; E219-S222 PolarHBondContact O-N 3.04Å; E219-S222 PolarHBondContact O-OG 3.29Å; E219-A223 VanDerWaalsContact O-CB 3.32Å; E219-A223 WeakPolarHBondContact O-CB 3.48Å; E219-A223 PolarHBondContact O-N 3.16Å |
| 220 | R | 49.3 | Very low | 58.2 | Low | 182 Ų | 182 | 94.5 Ų | 94.5 | 69% | 0.687 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.2 | -10.8 | 174.7 | -68.7 | 178.5 | 66.2 | -173.3 | 1.4 | 114.5 | W216 K218 | W216-R220 WeakPolarHBondContact O-CG 3.32Å; W216-R220 PolarHBondContact O-N 3.07Å; K218-R220 VanDerWaalsContact C-N 3.32Å; K218-R220 PolarHBondContact O-N 3.15Å |
| 221 | C | 43.9 | Very low | 55.2 | Low | 102 Ų | 102 | 97.7 Ų | 97.7 | 69% | 0.689 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -98.1 | -21.2 | 171 | -73.5 | 0 | 0 | 0 | 0 | 113.6 | K218 E219 | K218-C221 WeakPolarHBondContact O-CB 3.14Å; K218-C221 PolarHBondContact O-N 2.87Å; E219-C221 PolarHBondContact O-N 3.21Å; E219-C221 VanDerWaalsContact O-N 3.09Å |
| 222 | S | 38.1 | Very low | 52.6 | Low | 70 Ų | 70 | 106 Ų | 106 | 49% | 0.49 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -99.2 | -23.3 | 179.5 | 57.3 | 0 | 0 | 0 | 0 | 114.4 | K218 E219 V224 D225 | K218-S222 PolarHBondContact O-N 3.33Å; E219-S222 PolarHBondContact O-N 3.04Å; E219-S222 PolarHBondContact O-OG 3.29Å; S222-V224 PolarHBondContact O-N 3.31Å; S222-D225 PolarHBondContact O-N 2.72Å |
| 223 | A | 36.1 | Very low | 49.9 | Very low | 68 Ų | 68 | 111 Ų | 111 | 56% | 0.562 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 16.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | E219 | E219-A223 VanDerWaalsContact O-CB 3.32Å; E219-A223 WeakPolarHBondContact O-CB 3.48Å; E219-A223 PolarHBondContact O-N 3.16Å |
| 224 | V | 45.9 | Very low | 47.5 | Very low | 123 Ų | 123 | 115.7 Ų | 115.7 | 75% | 0.745 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -15.5 | 174.2 | -178 | 0 | 0 | 0 | 0 | 111.8 | S222 T226 | S222-V224 PolarHBondContact O-N 3.31Å; V224-T226 PolarHBondContact O-N 3.01Å |
| 225 | D | 42.3 | Very low | 45.1 | Very low | 131 Ų | 131 | 124.7 Ų | 124.7 | 70% | 0.701 | 67% | 0.669 | S | S | * | * | trans | -100.1 | 50.5 | -170.9 | -74 | -52.6 | 0 | 0 | 0 | 114.8 | S222 | S222-D225 PolarHBondContact O-N 2.72Š| ||
| 226 | T | 36.4 | Very low | 43 | Very low | 131 Ų | 131 | 129.3 Ų | 129.3 | 80% | 0.804 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -106.6 | 15.2 | 175.6 | -25.1 | 0 | 0 | 0 | 0 | 114.2 | V224 | V224-T226 PolarHBondContact O-N 3.01Š|
| 227 | K | 37.8 | Very low | 41.1 | Very low | 208 Ų | 208 | 129.9 Ų | 129.9 | 90% | 0.904 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -149.9 | 45.8 | 176.8 | -147.8 | 170.5 | -174.2 | 173.3 | 0 | 116.2 | ||
| 228 | A | 34.2 | Very low | 39.6 | Very low | 86 Ų | 86 | 129.5 Ų | 129.5 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | trans | -143 | 62.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G230 | A228-G230 PolarHBondContact O-N 3.39Š| ||
| 229 | T | 33.8 | Very low | 38.2 | Very low | 157 Ų | 157 | 129 Ų | 129 | 96% | 0.963 | 72% | 0.723 | S | S | * | * | trans | -61.8 | 121.7 | 172 | -50.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 230 | G | 33.7 | Very low | 38.2 | Very low | 68 Ų | 68 | 130 Ų | 130 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 140.9 | 21.7 | 165 | 0 | 0 | 0 | 0 | 0 | 120 | A228 | A228-G230 PolarHBondContact O-N 3.39Š|
| 231 | C | 29.2 | Very low | 37.7 | Very low | 135 Ų | 135 | 123.9 Ų | 123.9 | 91% | 0.912 | 73% | 0.727 | S | S | * | * | trans | -158.2 | 86 | 159.4 | -97.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 232 | Q | 37.2 | Very low | 37.6 | Very low | 174 Ų | 174 | 123.8 Ų | 123.8 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | trans | -93.4 | 165.7 | 168.4 | -164.6 | 178.7 | -30.8 | 0 | 0 | 109.7 | ||||
| 233 | E | 34.3 | Very low | 37.9 | Very low | 158 Ų | 158 | 123.5 Ų | 123.5 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | trans | 85.9 | 141.4 | 175.3 | -56.5 | -53.2 | 124.3 | 0 | 0 | 118.2 | ||||
| 234 | L | 38 | Very low | 38.7 | Very low | 152 Ų | 152 | 123.5 Ų | 123.5 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | trans | 73.2 | 51.8 | 164.7 | -150.6 | 75 | 0 | 0 | 0 | 119.7 | ||||
| 235 | W | 35.6 | Very low | 38.9 | Very low | 198 Ų | 198 | 121.8 Ų | 121.8 | 75% | 0.75 | 71% | 0.714 | S | S | * | * | trans | -140.3 | 50.9 | 149.5 | -73.6 | 100.3 | 0 | 0 | 0 | 112.7 | N262 | W235-N262 HydrophobicContact CH2-CB 3.81Å; W235-N262 VanDerWaalsContact CH2-CG 3.49Å; W235-N262 VanDerWaalsContact CH2-OD1 3.31Å; W235-N262 WeakPolarHBondContact CH2-OD1 3.47Å; W235-N262 HydrophobicContact CZ3-CB 4.27Å | ||
| 236 | S | 41.1 | Very low | 40.2 | Very low | 106 Ų | 106 | 119.2 Ų | 119.2 | 74% | 0.741 | 71% | 0.705 | S | S | * | * | trans | -93 | 159.2 | 151.3 | -64 | 0 | 0 | 0 | 0 | 109 | ||||
| 237 | E | 34.3 | Very low | 42.6 | Very low | 170 Ų | 170 | 113.7 Ų | 113.7 | 79% | 0.794 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 73.9 | 138.3 | -177.5 | -53.5 | -45.7 | 111.5 | 0 | 0 | 119 | ||
| 238 | A | 37.5 | Very low | 45.2 | Very low | 68 Ų | 68 | 108.7 Ų | 108.7 | 56% | 0.562 | 65% | 0.65 | S | S | * | * | trans | 42.3 | 113.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 239 | D | 32 | Very low | 48 | Very low | 116 Ų | 116 | 104.7 Ų | 104.7 | 62% | 0.62 | 62% | 0.616 | S | S | * | * | -166.3 | 136.3 | 53.1 | -109.4 | -20.1 | 0 | 0 | 0 | 113.1 | S241 K259 | D239-S241 PolarHBondContact O-N 3.18Å; D239-K259 PolarHBondContact O-NZ 3.04Å; D239-K259 IonicContact OD2-NZ 3.19Å | |||
| 240 | S | 52.2 | Low | 50.9 | Low | 126 Ų | 126 | 100.4 Ų | 100.4 | 88% | 0.881 | 58% | 0.583 | S | S | * | * | trans | -52 | 117.3 | 168.7 | -68 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 241 | S | 38.7 | Very low | 53.8 | Low | 55 Ų | 55 | 99.8 Ų | 99.8 | 39% | 0.385 | 56% | 0.561 | S | S | . | * | trans | -149.5 | 70.5 | 172.5 | -64.6 | 0 | 0 | 0 | 0 | 110.8 | D239 K259 | D239-S241 PolarHBondContact O-N 3.18Å; S241-K259 PolarHBondContact OG-NZ 3.03Å | ||
| 242 | C | 40.8 | Very low | 56.9 | Low | 99 Ų | 99 | 93.5 Ų | 93.5 | 67% | 0.669 | 52% | 0.519 | S | S | * | . | trans | 51.7 | 91.1 | 158.9 | -59.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 243 | S | 45.9 | Very low | 59.6 | Low | 65 Ų | 65 | 85.2 Ų | 85.2 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | 72.6 | 151.4 | 110.7 | 73.4 | 0 | 0 | 0 | 0 | 120.5 | Q245 | S243-Q245 PolarHBondContact O-N 3.47Å; S243-Q245 VanDerWaalsContact OG-CG 3.29Å; S243-Q245 WeakPolarHBondContact OG-CG 3.49Å | |||
| 244 | G | 51.2 | Low | 62.4 | Low | 67 Ų | 67 | 81.3 Ų | 81.3 | 69% | 0.691 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -68.8 | 16.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 245 | Q | 50.6 | Low | 65.1 | Low | 87 Ų | 87 | 76.1 Ų | 76.1 | 41% | 0.407 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -57.4 | 153.8 | 172.6 | -72.6 | -68.5 | -30.4 | 0 | 0 | 111.3 | S243 I247 | S243-Q245 PolarHBondContact O-N 3.47Å; S243-Q245 VanDerWaalsContact OG-CG 3.29Å; S243-Q245 WeakPolarHBondContact OG-CG 3.49Å; Q245-I247 PolarHBondContact O-N 3.3Å |
| 246 | P | 69.6 | Low | 67.8 | Low | 77 Ų | 77 | 67 Ų | 67 | 50% | 0.5 | 40% | 0.396 | S | S | . | . | trans | -73.2 | 63.1 | -179.9 | 30.7 | -35.4 | 0 | 0 | 0 | 112.6 | ||||
| 247 | I | 86.5 | Confident | 70.4 | Confident | 15 Ų | 15 | 62.1 Ų | 62.1 | 8% | 0.077 | 36% | 0.362 | C | S | . | . | trans | -58 | 138.8 | 178.6 | -172.9 | 171.1 | 0 | 0 | 0 | 111.9 | Q245 Q251 F252 E255 W289 R292 K293 | Q245-I247 PolarHBondContact O-N 3.3Å; I247-Q251 HydrophobicContact CD1-CB 4.05Å; I247-Q251 HydrophobicContact CG1-CB 3.72Å; I247-F252 HydrophobicContact CD1-CB 3.86Å; I247-F252 HydrophobicContact CG1-CB 4.37Å; I247-E255 WeakPolarHBondContact CD1-OE1 3.21Å; I247-E255 WeakPolarHBondContact CD1-OE2 3.46Å; I247-W289 HydrophobicContact CG2-CH2 4.48Å; I247-W289 HydrophobicContact CG2-CZ3 4.14Å; I247-W289 WeakPolarHBondContact O-CH2 3.33Å; I247-R292 HydrophobicContact CG2-CG 3.89Å; I247-K293 HydrophobicContact CG2-CD 3.87Å; I247-K293 PolarHBondContact O-NZ 3.03Å | ||
| 248 | H | 92.1 | Very high | 73.1 | Confident | 103 Ų | 103 | 58.3 Ų | 58.3 | 48% | 0.477 | 35% | 0.346 | S | S | . | . | trans | -92.2 | 152.9 | 172.2 | -61.7 | 91.6 | 0 | 0 | 0 | 111.6 | W250 Q251 F252 | H248-W250 VanDerWaalsContact CB-CD1 3.47Å; H248-W250 HydrophobicContact CB-CG 4.41Å; H248-W250 AromaticContact CG-NE1 3.96Å; H248-W250 PolarHBondContact O-N 3.17Å; H248-W250 VanDerWaalsContact O-N 3.11Å; H248-Q251 PolarHBondContact ND1-OE1 3.03Å; H248-Q251 WeakPolarHBondContact O-CB 2.8Å; H248-Q251 PolarHBondContact O-N 3.23Å; H248-F252 PolarHBondContact O-N 3.06Å; H248-F252 VanDerWaalsContact O-N 3.1Å | ||
| 249 | L | 94.3 | Very high | 75.5 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -54.7 | -35.7 | -179.4 | 174.3 | 65.6 | 0 | 0 | 0 | 112.8 | F252 L253 W289 L303 I307 Y310 | L249-F252 HydrophobicContact CD1-CD1 4.08Å; L249-F252 PolarHBondContact O-N 3.27Å; L249-L253 HydrophobicContact CD1-CD1 4.05Å; L249-L253 HydrophobicContact CD1-CD2 4.34Å; L249-L253 HydrophobicContact CD1-CG 3.91Å; L249-L253 HydrophobicContact CD2-CD1 4.48Å; L249-L253 HydrophobicContact CG-CD1 3.88Å; L249-L253 HydrophobicContact CG-CG 4.21Å; L249-L253 WeakPolarHBondContact O-CB 3.44Å; L249-L253 VanDerWaalsContact O-CG 3.24Å; L249-L253 WeakPolarHBondContact O-CG 3.4Å; L249-L253 PolarHBondContact O-N 3.26Å; L249-W289 HydrophobicContact CB-CH2 4.09Å; L249-W289 HydrophobicContact CB-CZ2 3.71Å; L249-W289 HydrophobicContact CD1-CD2 3.73Å; L249-W289 HydrophobicContact CD1-CE3 4.24Å; L249-W289 HydrophobicContact CD1-CG 3.84Å; L249-W289 HydrophobicContact CD1-CZ2 4.43Å; L249-W289 VanDerWaalsContact N-CH2 3.3Å; L249-L303 HydrophobicContact CD1-CD1 3.91Å; L249-L303 HydrophobicContact CD1-CD2 4.16Å; L249-L303 HydrophobicContact CD1-CG 3.76Å; L249-L303 HydrophobicContact CD2-CD2 3.89Å; L249-L303 HydrophobicContact CD2-CG 3.78Å; L249-L303 WeakPolarHBondContact CD2-O 3.47Å; L249-L303 HydrophobicContact CG-CG 4.44Å; L249-I307 HydrophobicContact CD2-CG1 3.75Å; L249-Y310 HydrophobicContact CB-CE2 4.01Å; L249-Y310 HydrophobicContact CD2-CE2 4.35Å; L249-Y310 HydrophobicContact CG-CE2 4.35Å; L249-Y310 PolarHBondContact N-OH 3.3Å |
| 250 | W | 94.3 | Very high | 78.2 | Confident | 68 Ų | 68 | 54.9 Ų | 54.9 | 26% | 0.258 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.9 | -35.2 | 178.7 | 74.1 | -94.1 | 0 | 0 | 0 | 113.3 | H248 R254 Y310 I315 I316 F329 | H248-W250 VanDerWaalsContact CB-CD1 3.47Å; H248-W250 HydrophobicContact CB-CG 4.41Å; H248-W250 AromaticContact CG-NE1 3.96Å; H248-W250 PolarHBondContact O-N 3.17Å; H248-W250 VanDerWaalsContact O-N 3.11Å; W250-R254 WeakPolarHBondContact O-CB 3.45Å; W250-R254 PolarHBondContact O-N 3.4Å; W250-Y310 HydrophobicContact CB-CD2 4.16Å; W250-Y310 HydrophobicContact CB-CE2 3.76Å; W250-Y310 AromaticContact CD1-CZ 3.81Å; W250-Y310 HydrophobicContact CG-CE2 4.49Å; W250-I315 HydrophobicContact CB-CG2 3.83Å; W250-I315 HydrophobicContact CD2-CG2 3.81Å; W250-I315 HydrophobicContact CE3-CG2 4.17Å; W250-I315 HydrophobicContact CG-CG2 3.67Å; W250-I316 HydrophobicContact CB-CD1 4.42Å; W250-F329 HydrophobicContact CB-CE1 4.28Å |
| 251 | Q | 93.9 | Very high | 79.7 | Confident | 54 Ų | 54 | 55.5 Ų | 55.5 | 25% | 0.252 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.2 | -45.1 | 174.1 | -68.2 | 162.3 | -63.2 | 0 | 0 | 110.1 | I247 H248 R254 E255 | I247-Q251 HydrophobicContact CD1-CB 4.05Å; I247-Q251 HydrophobicContact CG1-CB 3.72Å; H248-Q251 PolarHBondContact ND1-OE1 3.03Å; H248-Q251 WeakPolarHBondContact O-CB 2.8Å; H248-Q251 PolarHBondContact O-N 3.23Å; Q251-R254 CarbonylContact O-C 3.39Å; Q251-R254 WeakPolarHBondContact O-CA 3.15Å; Q251-R254 WeakPolarHBondContact O-CB 3.34Å; Q251-R254 PolarHBondContact O-N 3.47Å; Q251-R254 VanDerWaalsContact O-N 3.15Å; Q251-E255 WeakPolarHBondContact O-CG 3.46Å; Q251-E255 PolarHBondContact O-N 3.13Å |
| 252 | F | 94.5 | Very high | 81.8 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 177.5 | 168.8 | -97.3 | 0 | 0 | 0 | 112.9 | I247 H248 L249 R254 E255 L256 V285 L288 W289 R292 | I247-F252 HydrophobicContact CD1-CB 3.86Å; I247-F252 HydrophobicContact CG1-CB 4.37Å; H248-F252 PolarHBondContact O-N 3.06Å; H248-F252 VanDerWaalsContact O-N 3.1Å; L249-F252 HydrophobicContact CD1-CD1 4.08Å; L249-F252 PolarHBondContact O-N 3.27Å; F252-R254 PolarHBondContact O-N 3.2Å; F252-E255 PolarHBondContact O-N 3.39Å; F252-E255 VanDerWaalsContact O-N 3.16Å; F252-L256 HydrophobicContact CD1-CD1 4.4Å; F252-L256 HydrophobicContact CE1-CD1 3.66Å; F252-L256 HydrophobicContact CE1-CG 4.23Å; F252-L256 HydrophobicContact CE2-CD1 4.44Å; F252-L256 HydrophobicContact CE2-CD2 4.15Å; F252-L256 HydrophobicContact CE2-CG 4.31Å; F252-L256 HydrophobicContact CZ-CD1 3.68Å; F252-L256 HydrophobicContact CZ-CD2 4.11Å; F252-L256 HydrophobicContact CZ-CG 4.04Å; F252-L256 PolarHBondContact O-N 2.89Å; F252-V285 HydrophobicContact CE1-CG1 4.5Å; F252-L288 HydrophobicContact CE2-CB 4.45Å; F252-L288 HydrophobicContact CZ-CB 3.7Å; F252-W289 HydrophobicContact CB-CE3 3.71Å; F252-W289 HydrophobicContact CB-CZ3 3.53Å; F252-W289 HydrophobicContact CD1-CB 4.21Å; F252-W289 HydrophobicContact CD1-CD2 4.16Å; F252-W289 AromaticContact CD1-CE3 3.51Å; F252-W289 HydrophobicContact CD1-CE3 3.51Å; F252-W289 HydrophobicContact CD1-CG 4.47Å; F252-W289 HydrophobicContact CD1-CZ3 4.24Å; F252-W289 AromaticContact CD2-CE3 3.93Å; F252-W289 HydrophobicContact CD2-CE3 3.93Å; F252-W289 HydrophobicContact CD2-CZ3 4.34Å; F252-W289 HydrophobicContact CE1-CB 3.68Å; F252-W289 HydrophobicContact CE1-CD2 4.5Å; F252-W289 HydrophobicContact CE1-CE3 4.07Å; F252-W289 HydrophobicContact CE1-CG 4.4Å; F252-W289 HydrophobicContact CE2-CE3 4.43Å; F252-W289 HydrophobicContact CG-CD2 4.47Å; F252-W289 AromaticContact CG-CE3 3.42Å; F252-W289 HydrophobicContact CG-CE3 3.42Å; F252-W289 VanDerWaalsContact CG-CE3 3.42Å; F252-W289 AromaticContact CG-CZ3 3.79Å; F252-W289 HydrophobicContact CG-CZ3 3.79Å; F252-W289 HydrophobicContact CZ-CB 4.09Å; F252-W289 HydrophobicContact CZ-CE3 4.49Å; F252-R292 HydrophobicContact CD2-CB 4.18Å; F252-R292 HydrophobicContact CD2-CG 3.95Å; F252-R292 HydrophobicContact CE2-CB 4.04Å; F252-R292 HydrophobicContact CE2-CG 4.3Å |
| 253 | L | 95.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -36.9 | 175.4 | -69.4 | 169.9 | 0 | 0 | 0 | 111.4 | L249 L257 I267 F277 I279 V285 I307 I316 F329 | L249-L253 HydrophobicContact CD1-CD1 4.05Å; L249-L253 HydrophobicContact CD1-CD2 4.34Å; L249-L253 HydrophobicContact CD1-CG 3.91Å; L249-L253 HydrophobicContact CD2-CD1 4.48Å; L249-L253 HydrophobicContact CG-CD1 3.88Å; L249-L253 HydrophobicContact CG-CG 4.21Å; L249-L253 WeakPolarHBondContact O-CB 3.44Å; L249-L253 VanDerWaalsContact O-CG 3.24Å; L249-L253 WeakPolarHBondContact O-CG 3.4Å; L249-L253 PolarHBondContact O-N 3.26Å; L253-L257 WeakPolarHBondContact O-CB 3.44Å; L253-L257 WeakPolarHBondContact O-CD1 3.31Å; L253-L257 VanDerWaalsContact O-CG 3.26Å; L253-L257 WeakPolarHBondContact O-CG 3.17Å; L253-L257 PolarHBondContact O-N 3.03Å; L253-L257 VanDerWaalsContact O-N 3.16Å; L253-I267 HydrophobicContact CB-CD1 4.29Å; L253-I267 HydrophobicContact CD2-CD1 3.64Å; L253-F277 HydrophobicContact CD1-CZ 4.36Å; L253-I279 HydrophobicContact CD2-CD1 4.21Å; L253-V285 HydrophobicContact CD2-CG1 3.67Å; L253-I307 HydrophobicContact CD1-CD1 4.04Å; L253-I307 HydrophobicContact CD1-CG1 4.28Å; L253-I316 HydrophobicContact CD1-CD1 4.49Å; L253-F329 HydrophobicContact CB-CZ 4.46Å |
| 254 | R | 93.1 | Very high | 86.2 | Confident | 75 Ų | 75 | 51.4 Ų | 51.4 | 28% | 0.283 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 174.2 | -168.4 | -168.1 | 71.9 | -161.7 | 0.4 | 112.1 | W250 Q251 F252 L257 L258 F329 V333 | W250-R254 WeakPolarHBondContact O-CB 3.45Å; W250-R254 PolarHBondContact O-N 3.4Å; Q251-R254 CarbonylContact O-C 3.39Å; Q251-R254 WeakPolarHBondContact O-CA 3.15Å; Q251-R254 WeakPolarHBondContact O-CB 3.34Å; Q251-R254 PolarHBondContact O-N 3.47Å; Q251-R254 VanDerWaalsContact O-N 3.15Å; F252-R254 PolarHBondContact O-N 3.2Å; R254-L257 CarbonylContact O-C 3.56Å; R254-L257 WeakPolarHBondContact O-CB 3.31Å; R254-L257 PolarHBondContact O-N 3.24Å; R254-L258 HydrophobicContact CG-CD1 4.39Å; R254-L258 WeakPolarHBondContact O-CG 3.5Å; R254-L258 PolarHBondContact O-N 2.84Å; R254-F329 HydrophobicContact CB-CZ 4.17Å; R254-V333 HydrophobicContact CG-CG1 3.8Å; R254-V333 HydrophobicContact CG-CG2 4.12Å |
| 255 | E | 93 | Very high | 88 | Confident | 44 Ų | 44 | 59.6 Ų | 59.6 | 21% | 0.206 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 176.6 | -76.3 | 163.7 | -149.6 | 0 | 0 | 112.1 | I247 Q251 F252 L257 L258 K259 R292 | I247-E255 WeakPolarHBondContact CD1-OE1 3.21Å; I247-E255 WeakPolarHBondContact CD1-OE2 3.46Å; Q251-E255 WeakPolarHBondContact O-CG 3.46Å; Q251-E255 PolarHBondContact O-N 3.13Å; F252-E255 PolarHBondContact O-N 3.39Å; F252-E255 VanDerWaalsContact O-N 3.16Å; E255-L257 VanDerWaalsContact C-N 3.29Å; E255-L257 PolarHBondContact O-N 3Å; E255-L258 PolarHBondContact O-N 3.39Å; E255-K259 PolarHBondContact O-N 3.11Å; E255-R292 IonicContact OE2-CZ 3.2Å; E255-R292 VanDerWaalsContact OE2-CZ 3.25Å; E255-R292 IonicContact OE2-NH1 2.8Å; E255-R292 PolarHBondContact OE2-NH1 2.89Å; E255-R292 IonicContact OE2-NH2 2.75Å; E255-R292 PolarHBondContact OE2-NH2 3.22Å |
| 256 | L | 93.6 | Very high | 90 | Very high | 6 Ų | 6 | 55.6 Ų | 55.6 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 173.8 | -60.1 | -176.1 | 0 | 0 | 0 | 111.5 | F252 L258 K259 Y263 I267 V285 L288 | F252-L256 HydrophobicContact CD1-CD1 4.4Å; F252-L256 HydrophobicContact CE1-CD1 3.66Å; F252-L256 HydrophobicContact CE1-CG 4.23Å; F252-L256 HydrophobicContact CE2-CD1 4.44Å; F252-L256 HydrophobicContact CE2-CD2 4.15Å; F252-L256 HydrophobicContact CE2-CG 4.31Å; F252-L256 HydrophobicContact CZ-CD1 3.68Å; F252-L256 HydrophobicContact CZ-CD2 4.11Å; F252-L256 HydrophobicContact CZ-CG 4.04Å; F252-L256 PolarHBondContact O-N 2.89Å; L256-L258 PolarHBondContact O-N 3.1Å; L256-K259 CarbonylContact O-C 3.59Å; L256-K259 PolarHBondContact O-N 3.12Å; L256-Y263 HydrophobicContact CB-CD2 4.03Å; L256-Y263 HydrophobicContact CB-CG 4.16Å; L256-Y263 HydrophobicContact CD2-CD1 3.89Å; L256-Y263 HydrophobicContact CD2-CD2 3.62Å; L256-Y263 HydrophobicContact CD2-CE1 3.93Å; L256-Y263 HydrophobicContact CD2-CE2 3.64Å; L256-Y263 HydrophobicContact CD2-CG 3.74Å; L256-Y263 HydrophobicContact CG-CD2 4.43Å; L256-Y263 HydrophobicContact CG-CG 4.48Å; L256-I267 HydrophobicContact CB-CG2 3.48Å; L256-I267 VanDerWaalsContact CB-CG2 3.48Å; L256-I267 HydrophobicContact CD1-CG2 3.91Å; L256-I267 HydrophobicContact CG-CG2 4.37Å; L256-V285 HydrophobicContact CD1-CG1 4.31Å; L256-V285 HydrophobicContact CD1-CG2 4.39Å; L256-L288 HydrophobicContact CD1-CD1 4.48Å; L256-L288 HydrophobicContact CD2-CD1 4.45Å |
| 257 | L | 94.3 | Very high | 91.3 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.8 | -14.9 | 178.3 | -79 | 167.7 | 0 | 0 | 0 | 114.9 | L253 R254 E255 I267 R268 W269 F277 F329 | L253-L257 WeakPolarHBondContact O-CB 3.44Å; L253-L257 WeakPolarHBondContact O-CD1 3.31Å; L253-L257 VanDerWaalsContact O-CG 3.26Å; L253-L257 WeakPolarHBondContact O-CG 3.17Å; L253-L257 PolarHBondContact O-N 3.03Å; L253-L257 VanDerWaalsContact O-N 3.16Å; R254-L257 CarbonylContact O-C 3.56Å; R254-L257 WeakPolarHBondContact O-CB 3.31Å; R254-L257 PolarHBondContact O-N 3.24Å; E255-L257 VanDerWaalsContact C-N 3.29Å; E255-L257 PolarHBondContact O-N 3Å; L257-I267 HydrophobicContact CD1-CD1 4.11Å; L257-I267 HydrophobicContact CD1-CG1 4.45Å; L257-I267 HydrophobicContact CD2-CD1 4.41Å; L257-I267 HydrophobicContact CD2-CG1 3.9Å; L257-I267 HydrophobicContact CG-CD1 3.96Å; L257-I267 HydrophobicContact CG-CG1 4Å; L257-R268 VanDerWaalsContact CD2-CA 3.5Å; L257-W269 HydrophobicContact CB-CH2 4.48Å; L257-W269 HydrophobicContact CB-CZ2 3.68Å; L257-W269 HydrophobicContact CD1-CE3 4.48Å; L257-W269 HydrophobicContact CD1-CH2 3.94Å; L257-W269 HydrophobicContact CD1-CZ2 3.96Å; L257-W269 HydrophobicContact CD1-CZ3 4.19Å; L257-W269 HydrophobicContact CD2-CD2 4.05Å; L257-W269 HydrophobicContact CD2-CG 4.15Å; L257-W269 HydrophobicContact CG-CZ2 4.29Å; L257-W269 PolarHBondContact O-NE1 3.03Å; L257-F277 HydrophobicContact CD1-CB 3.65Å; L257-F277 HydrophobicContact CD1-CD1 4.01Å; L257-F277 HydrophobicContact CD1-CD2 3.85Å; L257-F277 HydrophobicContact CD1-CE2 4.44Å; L257-F277 HydrophobicContact CD1-CG 3.59Å; L257-F277 HydrophobicContact CD2-CB 3.91Å; L257-F277 HydrophobicContact CG-CB 4.45Å; L257-F329 HydrophobicContact CD1-CE2 3.9Å |
| 258 | L | 91.1 | Very high | 91.8 | Very high | 90 Ų | 90 | 56.2 Ų | 56.2 | 47% | 0.471 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -89.2 | -15.2 | 173.6 | -71.1 | 168.4 | 0 | 0 | 0 | 112.8 | R254 E255 L256 P260 | R254-L258 HydrophobicContact CG-CD1 4.39Å; R254-L258 WeakPolarHBondContact O-CG 3.5Å; R254-L258 PolarHBondContact O-N 2.84Å; E255-L258 PolarHBondContact O-N 3.39Å; L256-L258 PolarHBondContact O-N 3.1Å; L258-P260 WeakPolarHBondContact O-CD 3.46Å |
| 259 | K | 89.6 | Confident | 92 | Very high | 34 Ų | 34 | 53.5 Ų | 53.5 | 15% | 0.148 | 24% | 0.242 | C | C | . | . | trans | -114.8 | 64.8 | 175.8 | -63.4 | -173.7 | 173.4 | -174.4 | 0 | 111.6 | D239 S241 E255 L256 H261 N262 Y263 | D239-K259 PolarHBondContact O-NZ 3.04Å; D239-K259 IonicContact OD2-NZ 3.19Å; S241-K259 PolarHBondContact OG-NZ 3.03Å; E255-K259 PolarHBondContact O-N 3.11Å; L256-K259 CarbonylContact O-C 3.59Å; L256-K259 PolarHBondContact O-N 3.12Å; K259-H261 PolarHBondContact O-N 3.3Å; K259-N262 PolarHBondContact O-N 3.26Å; K259-N262 VanDerWaalsContact O-N 3.13Å; K259-Y263 HydrophobicContact CB-CD2 3.82Å; K259-Y263 HydrophobicContact CB-CE2 3.92Å; K259-Y263 HydrophobicContact CD-CE2 4.4Å; K259-Y263 WeakPolarHBondContact O-CD2 3.24Å; K259-Y263 PolarHBondContact O-N 2.99Å | ||
| 260 | P | 87.2 | Confident | 92 | Very high | 78 Ų | 78 | 56.8 Ų | 56.8 | 51% | 0.506 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.1 | -21.4 | -173.3 | 28.8 | -37 | 0 | 0 | 0 | 113.9 | L258 G264 | L258-P260 WeakPolarHBondContact O-CD 3.46Å; P260-G264 VanDerWaalsContact O-CA 3.24Å; P260-G264 WeakPolarHBondContact O-CA 3.36Å; P260-G264 PolarHBondContact O-N 2.84Å |
| 261 | H | 83.9 | Confident | 92 | Very high | 139 Ų | 139 | 56.2 Ų | 56.2 | 64% | 0.644 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -64.3 | -40 | 173.1 | 50.9 | -82.9 | 0 | 0 | 0 | 111.4 | K259 | K259-H261 PolarHBondContact O-N 3.3Å |
| 262 | N | 82 | Confident | 91.9 | Very high | 44 Ų | 44 | 58.7 Ų | 58.7 | 24% | 0.235 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -84.7 | -42.4 | 178.3 | -66.3 | -8.6 | 0 | 0 | 0 | 112.5 | W235 K259 | W235-N262 HydrophobicContact CH2-CB 3.81Å; W235-N262 VanDerWaalsContact CH2-CG 3.49Å; W235-N262 VanDerWaalsContact CH2-OD1 3.31Å; W235-N262 WeakPolarHBondContact CH2-OD1 3.47Å; W235-N262 HydrophobicContact CZ3-CB 4.27Å; K259-N262 PolarHBondContact O-N 3.26Å; K259-N262 VanDerWaalsContact O-N 3.13Å |
| 263 | Y | 90.8 | Very high | 91.7 | Very high | 64 Ų | 64 | 66.1 Ų | 66.1 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -112.2 | -1.3 | -167.4 | -52.6 | -60.4 | 0 | 0 | 0 | 115.4 | L256 K259 R265 C266 I267 L288 | L256-Y263 HydrophobicContact CB-CD2 4.03Å; L256-Y263 HydrophobicContact CB-CG 4.16Å; L256-Y263 HydrophobicContact CD2-CD1 3.89Å; L256-Y263 HydrophobicContact CD2-CD2 3.62Å; L256-Y263 HydrophobicContact CD2-CE1 3.93Å; L256-Y263 HydrophobicContact CD2-CE2 3.64Å; L256-Y263 HydrophobicContact CD2-CG 3.74Å; L256-Y263 HydrophobicContact CG-CD2 4.43Å; L256-Y263 HydrophobicContact CG-CG 4.48Å; K259-Y263 HydrophobicContact CB-CD2 3.82Å; K259-Y263 HydrophobicContact CB-CE2 3.92Å; K259-Y263 HydrophobicContact CD-CE2 4.4Å; K259-Y263 WeakPolarHBondContact O-CD2 3.24Å; K259-Y263 PolarHBondContact O-N 2.99Å; Y263-R265 PolarHBondContact O-N 3.36Å; Y263-C266 PolarHBondContact O-N 2.79Å; Y263-C266 PolarHBondContact O-SG 2.82Å; Y263-I267 PolarHBondContact O-N 3.34Å; Y263-I267 VanDerWaalsContact O-O 3.07Å; Y263-L288 HydrophobicContact CD1-CD1 4.18Å; Y263-L288 HydrophobicContact CE1-CD1 4.25Å |
| 264 | G | 89.1 | Confident | 91.6 | Very high | 24 Ų | 24 | 72.4 Ų | 72.4 | 25% | 0.247 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | P260 I267 | P260-G264 VanDerWaalsContact O-CA 3.24Å; P260-G264 WeakPolarHBondContact O-CA 3.36Å; P260-G264 PolarHBondContact O-N 2.84Å; G264-I267 WeakPolarHBondContact CA-O 3.47Å |
| 265 | R | 88.8 | Confident | 91.7 | Very high | 239 Ų | 239 | 68.8 Ų | 68.8 | 90% | 0.902 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -23.1 | 173 | -64.6 | -170.3 | -177.4 | -152.9 | 2.9 | 114 | Y263 | Y263-R265 PolarHBondContact O-N 3.36Š|
| 266 | C | 93.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.02 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -28.9 | -179.6 | 69 | 0 | 0 | 0 | 0 | 113.5 | Y263 I279 E280 D281 H284 V285 | Y263-C266 PolarHBondContact O-N 2.79Å; Y263-C266 PolarHBondContact O-SG 2.82Å; C266-I279 CarbonylContact O-C 3.59Å; C266-E280 PolarHBondContact O-N 3.28Å; C266-D281 HydrophobicContact CB-CB 3.89Å; C266-D281 PolarHBondContact O-N 3.23Å; C266-D281 VanDerWaalsContact O-N 3.11Å; C266-H284 HydrophobicContact CB-CB 4.12Å; C266-V285 HydrophobicContact CB-CG2 3.98Å |
| 267 | I | 96.8 | Very high | 92 | Very high | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 136.7 | 175 | -168.3 | 176.2 | 0 | 0 | 0 | 111.2 | L253 L256 L257 Y263 G264 F277 K278 I279 V285 | L253-I267 HydrophobicContact CB-CD1 4.29Å; L253-I267 HydrophobicContact CD2-CD1 3.64Å; L256-I267 HydrophobicContact CB-CG2 3.48Å; L256-I267 VanDerWaalsContact CB-CG2 3.48Å; L256-I267 HydrophobicContact CD1-CG2 3.91Å; L256-I267 HydrophobicContact CG-CG2 4.37Å; L257-I267 HydrophobicContact CD1-CD1 4.11Å; L257-I267 HydrophobicContact CD1-CG1 4.45Å; L257-I267 HydrophobicContact CD2-CD1 4.41Å; L257-I267 HydrophobicContact CD2-CG1 3.9Å; L257-I267 HydrophobicContact CG-CD1 3.96Å; L257-I267 HydrophobicContact CG-CG1 4Å; Y263-I267 PolarHBondContact O-N 3.34Å; Y263-I267 VanDerWaalsContact O-O 3.07Å; G264-I267 WeakPolarHBondContact CA-O 3.47Å; I267-F277 HydrophobicContact CD1-CD2 3.93Å; I267-F277 HydrophobicContact CD1-CE2 4.02Å; I267-F277 HydrophobicContact CG1-CD2 4.11Å; I267-K278 WeakPolarHBondContact CA-O 3.5Å; I267-I279 HydrophobicContact CD1-CG1 3.87Å; I267-I279 HydrophobicContact CG1-CG1 3.94Å; I267-V285 HydrophobicContact CB-CG2 4.03Å; I267-V285 HydrophobicContact CG2-CG2 4.38Å |
| 268 | R | 96.3 | Very high | 92.1 | Very high | 104 Ų | 104 | 70 Ų | 70 | 39% | 0.392 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 157.3 | -177.7 | 65.9 | -175.5 | -176.3 | 94.3 | 1.5 | 113.1 | L257 F277 K278 E280 | L257-R268 VanDerWaalsContact CD2-CA 3.5Å; R268-F277 CarbonylContact O-C 3.6Å; R268-F277 WeakPolarHBondContact O-CA 3.36Å; R268-F277 WeakPolarHBondContact O-CB 3.26Å; R268-K278 PolarHBondContact N-O 3.23Å; R268-K278 PolarHBondContact O-N 3.47Å; R268-E280 HydrophobicContact CG-CG 4.31Å; R268-E280 IonicContact CZ-OE1 3.02Å; R268-E280 IonicContact NE-OE1 2.74Å; R268-E280 PolarHBondContact NE-OE1 3.16Å; R268-E280 IonicContact NH2-OE1 2.69Å; R268-E280 PolarHBondContact NH2-OE1 3.05Å |
| 269 | W | 96.4 | Very high | 92.4 | Very high | 46 Ų | 46 | 65.8 Ų | 65.8 | 17% | 0.174 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 142.5 | 168 | -61.3 | 106.5 | 0 | 0 | 0 | 110.7 | L257 K272 F277 F329 V333 | L257-W269 HydrophobicContact CB-CH2 4.48Å; L257-W269 HydrophobicContact CB-CZ2 3.68Å; L257-W269 HydrophobicContact CD1-CE3 4.48Å; L257-W269 HydrophobicContact CD1-CH2 3.94Å; L257-W269 HydrophobicContact CD1-CZ2 3.96Å; L257-W269 HydrophobicContact CD1-CZ3 4.19Å; L257-W269 HydrophobicContact CD2-CD2 4.05Å; L257-W269 HydrophobicContact CD2-CG 4.15Å; L257-W269 HydrophobicContact CG-CZ2 4.29Å; L257-W269 PolarHBondContact O-NE1 3.03Å; W269-K272 HydrophobicContact CB-CB 4.44Å; W269-K272 HydrophobicContact CD2-CB 4.23Å; W269-K272 HydrophobicContact CD2-CG 4.18Å; W269-K272 HydrophobicContact CG-CB 4.15Å; W269-K272 HydrophobicContact CG-CG 4.41Å; W269-F277 HydrophobicContact CE3-CB 3.9Å; W269-F277 HydrophobicContact CZ3-CB 4.17Å; W269-F277 HydrophobicContact CZ3-CD1 4.4Å; W269-F329 AromaticContact CH2-CD2 3.87Å; W269-F329 HydrophobicContact CH2-CD2 3.87Å; W269-F329 AromaticContact CH2-CE2 3.95Å; W269-F329 HydrophobicContact CH2-CE2 3.95Å; W269-F329 AromaticContact CZ3-CD2 3.98Å; W269-F329 HydrophobicContact CZ3-CD2 3.98Å; W269-F329 HydrophobicContact CZ3-CE2 4.3Å; W269-V333 HydrophobicContact CH2-CB 4.11Å; W269-V333 HydrophobicContact CH2-CG2 4.36Å; W269-V333 HydrophobicContact CZ2-CB 4.33Å |
| 270 | L | 94.8 | Very high | 92.7 | Very high | 72 Ų | 72 | 67.2 Ų | 67.2 | 38% | 0.377 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | -35.3 | 160.9 | -59.6 | -170.4 | 0 | 0 | 0 | 110.7 | I276 K278 V326 | L270-I276 HydrophobicContact CB-CG2 4.19Å; L270-I276 HydrophobicContact CD1-CG2 4.47Å; L270-I276 PolarHBondContact N-O 3.46Å; L270-K278 HydrophobicContact CD1-CB 4.02Å; L270-K278 HydrophobicContact CD2-CB 3.9Å; L270-K278 HydrophobicContact CG-CB 3.88Å; L270-V326 HydrophobicContact CD1-CG1 3.68Å; L270-V326 HydrophobicContact CD1-CG2 3.98Å |
| 271 | N | 93.3 | Very high | 93.1 | Very high | 56 Ų | 56 | 66.2 Ų | 66.2 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 110.7 | 168.6 | 180 | -63.4 | 0 | 0 | 0 | 108 | E273 K274 G275 I276 | N271-E273 PolarHBondContact OD1-N 2.93Å; N271-K274 HydrophobicContact CB-CB 4.48Å; N271-K274 VanDerWaalsContact OD1-CB 3.32Å; N271-K274 WeakPolarHBondContact OD1-CB 3.43Å; N271-K274 WeakPolarHBondContact OD1-CG 3.48Å; N271-K274 PolarHBondContact OD1-N 3.19Å; N271-G275 PolarHBondContact O-N 2.91Å; N271-I276 HydrophobicContact CB-CB 4.41Å; N271-I276 PolarHBondContact N-O 3.09Å; N271-I276 PolarHBondContact O-N 3.13Å |
| 272 | K | 92.4 | Very high | 93.7 | Very high | 105 Ų | 105 | 61.2 Ų | 61.2 | 46% | 0.457 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -47.2 | -175.8 | -174.2 | -173.2 | 167.5 | -172.9 | 0 | 111.7 | W269 K274 G275 V333 | W269-K272 HydrophobicContact CB-CB 4.44Å; W269-K272 HydrophobicContact CD2-CB 4.23Å; W269-K272 HydrophobicContact CD2-CG 4.18Å; W269-K272 HydrophobicContact CG-CB 4.15Å; W269-K272 HydrophobicContact CG-CG 4.41Å; K272-K274 VanDerWaalsContact C-N 3.26Å; K272-K274 PolarHBondContact O-N 3.32Å; K272-G275 WeakPolarHBondContact O-CA 3.41Å; K272-G275 PolarHBondContact O-N 3Å; K272-V333 WeakPolarHBondContact CE-O 3.17Å; K272-V333 WeakPolarHBondContact CG-O 3.2Å |
| 273 | E | 91.3 | Very high | 94.4 | Very high | 160 Ų | 160 | 61.5 Ų | 61.5 | 75% | 0.748 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -38.3 | -178.6 | -61.2 | 164.3 | -172.4 | 0 | 0 | 113.1 | N271 G275 P332 | N271-E273 PolarHBondContact OD1-N 2.93Å; E273-G275 VanDerWaalsContact C-N 3.34Å; E273-P332 WeakPolarHBondContact O-CB 3.17Å |
| 274 | K | 92.3 | Very high | 94.5 | Very high | 132 Ų | 132 | 61.8 Ų | 61.8 | 57% | 0.574 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 3.7 | 176.6 | -63.6 | -174.9 | 178 | -173.9 | 0 | 113.1 | N271 K272 I276 Q328 | N271-K274 HydrophobicContact CB-CB 4.48Å; N271-K274 VanDerWaalsContact OD1-CB 3.32Å; N271-K274 WeakPolarHBondContact OD1-CB 3.43Å; N271-K274 WeakPolarHBondContact OD1-CG 3.48Å; N271-K274 PolarHBondContact OD1-N 3.19Å; K272-K274 VanDerWaalsContact C-N 3.26Å; K272-K274 PolarHBondContact O-N 3.32Å; K274-I276 HydrophobicContact CB-CD1 3.88Å; K274-I276 HydrophobicContact CB-CG1 3.88Å; K274-I276 HydrophobicContact CD-CD1 4.4Å; K274-I276 PolarHBondContact O-N 2.94Å; K274-Q328 WeakPolarHBondContact O-CG 3.47Å; K274-Q328 PolarHBondContact O-NE2 3.19Å |
| 275 | G | 94.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 19 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | N271 K272 E273 Q328 F329 | N271-G275 PolarHBondContact O-N 2.91Å; K272-G275 WeakPolarHBondContact O-CA 3.41Å; K272-G275 PolarHBondContact O-N 3Å; E273-G275 VanDerWaalsContact C-N 3.34Å; G275-Q328 CarbonylContact O-C 3.58Å; G275-Q328 WeakPolarHBondContact O-CA 3.17Å; G275-F329 PolarHBondContact O-N 3.04Å |
| 276 | I | 96 | Very high | 95.2 | Very high | 27 Ų | 27 | 49.3 Ų | 49.3 | 14% | 0.138 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 121.6 | -174.3 | -53.9 | 175.3 | 0 | 0 | 0 | 110.1 | L270 N271 K274 P319 V326 Y327 Q328 | L270-I276 HydrophobicContact CB-CG2 4.19Å; L270-I276 HydrophobicContact CD1-CG2 4.47Å; L270-I276 PolarHBondContact N-O 3.46Å; N271-I276 HydrophobicContact CB-CB 4.41Å; N271-I276 PolarHBondContact N-O 3.09Å; N271-I276 PolarHBondContact O-N 3.13Å; K274-I276 HydrophobicContact CB-CD1 3.88Å; K274-I276 HydrophobicContact CB-CG1 3.88Å; K274-I276 HydrophobicContact CD-CD1 4.4Å; K274-I276 PolarHBondContact O-N 2.94Å; I276-P319 HydrophobicContact CG2-CG 4.35Å; I276-V326 HydrophobicContact CG2-CG1 3.75Å; I276-Y327 WeakPolarHBondContact CA-O 3.43Å; I276-Q328 HydrophobicContact CG1-CB 4.2Å; I276-Q328 HydrophobicContact CG1-CG 3.92Å |
| 277 | F | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 159.9 | 179.8 | 70.2 | -88.1 | 0 | 0 | 0 | 112.3 | L253 L257 I267 R268 W269 I279 I316 V326 Y327 F329 | L253-F277 HydrophobicContact CD1-CZ 4.36Å; L257-F277 HydrophobicContact CD1-CB 3.65Å; L257-F277 HydrophobicContact CD1-CD1 4.01Å; L257-F277 HydrophobicContact CD1-CD2 3.85Å; L257-F277 HydrophobicContact CD1-CE2 4.44Å; L257-F277 HydrophobicContact CD1-CG 3.59Å; L257-F277 HydrophobicContact CD2-CB 3.91Å; L257-F277 HydrophobicContact CG-CB 4.45Å; I267-F277 HydrophobicContact CD1-CD2 3.93Å; I267-F277 HydrophobicContact CD1-CE2 4.02Å; I267-F277 HydrophobicContact CG1-CD2 4.11Å; R268-F277 CarbonylContact O-C 3.6Å; R268-F277 WeakPolarHBondContact O-CA 3.36Å; R268-F277 WeakPolarHBondContact O-CB 3.26Å; W269-F277 HydrophobicContact CE3-CB 3.9Å; W269-F277 HydrophobicContact CZ3-CB 4.17Å; W269-F277 HydrophobicContact CZ3-CD1 4.4Å; F277-I279 HydrophobicContact CE2-CG1 4.35Å; F277-I316 HydrophobicContact CE1-CD1 4.46Å; F277-I316 HydrophobicContact CZ-CD1 4.2Å; F277-V326 WeakPolarHBondContact O-CA 3.4Å; F277-V326 WeakPolarHBondContact O-CG1 3.32Å; F277-Y327 HydrophobicContact CE2-CD2 4.05Å; F277-Y327 HydrophobicContact CE2-CG 4.33Å; F277-Y327 VanDerWaalsContact CZ-CB 3.45Å; F277-Y327 HydrophobicContact CZ-CD2 4.34Å; F277-Y327 HydrophobicContact CZ-CG 4.18Å; F277-Y327 PolarHBondContact N-O 2.79Å; F277-Y327 PolarHBondContact O-N 3.11Å; F277-F329 AromaticContact CD1-CD2 3.65Å; F277-F329 HydrophobicContact CD1-CD2 3.65Å; F277-F329 AromaticContact CD1-CE2 3.54Å; F277-F329 HydrophobicContact CD1-CE2 3.54Å; F277-F329 HydrophobicContact CD1-CZ 4.47Å; F277-F329 AromaticContact CE1-CD2 3.54Å; F277-F329 HydrophobicContact CE1-CD2 3.54Å; F277-F329 HydrophobicContact CE1-CE1 4.49Å; F277-F329 AromaticContact CE1-CE2 3.28Å; F277-F329 HydrophobicContact CE1-CE2 3.28Å; F277-F329 HydrophobicContact CE1-CG 4.26Å; F277-F329 AromaticContact CE1-CZ 3.82Å; F277-F329 HydrophobicContact CE1-CZ 3.82Å; F277-F329 HydrophobicContact CG-CE2 4.48Å; F277-F329 HydrophobicContact CZ-CE2 4.07Å; F277-F329 HydrophobicContact CZ-CZ 4.25Å |
| 278 | K | 97 | Very high | 94.9 | Very high | 53 Ų | 53 | 57.8 Ų | 57.8 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 135.8 | 174.9 | -176.6 | 174.9 | 175 | -146.2 | 0 | 110.3 | I267 R268 L270 E280 L325 V326 | I267-K278 WeakPolarHBondContact CA-O 3.5Å; R268-K278 PolarHBondContact N-O 3.23Å; R268-K278 PolarHBondContact O-N 3.47Å; L270-K278 HydrophobicContact CD1-CB 4.02Å; L270-K278 HydrophobicContact CD2-CB 3.9Å; L270-K278 HydrophobicContact CG-CB 3.88Å; K278-E280 WeakPolarHBondContact CD-OE1 3.24Å; K278-E280 WeakPolarHBondContact CE-OE2 3.36Å; K278-E280 VanDerWaalsContact NZ-CD 3.32Å; K278-E280 IonicContact NZ-OE1 3.29Å; K278-E280 PolarHBondContact NZ-OE1 3.28Å; K278-E280 IonicContact NZ-OE2 2.62Å; K278-E280 PolarHBondContact NZ-OE2 3.26Å; K278-L325 WeakPolarHBondContact CA-O 3.48Å; K278-V326 HydrophobicContact CB-CG2 4.11Å; K278-V326 HydrophobicContact CD-CG2 4Å; K278-V326 HydrophobicContact CG-CG2 3.92Å |
| 279 | I | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 118 | 163.1 | -66.4 | 169.8 | 0 | 0 | 0 | 106.7 | L253 C266 I267 F277 V285 Y300 I307 L325 Y327 | L253-I279 HydrophobicContact CD2-CD1 4.21Å; C266-I279 CarbonylContact O-C 3.59Å; I267-I279 HydrophobicContact CD1-CG1 3.87Å; I267-I279 HydrophobicContact CG1-CG1 3.94Å; F277-I279 HydrophobicContact CE2-CG1 4.35Å; I279-V285 HydrophobicContact CD1-CG1 4.39Å; I279-V285 HydrophobicContact CG2-CB 4.31Å; I279-V285 HydrophobicContact CG2-CG2 4.05Å; I279-Y300 HydrophobicContact CD1-CE2 4.4Å; I279-I307 HydrophobicContact CD1-CD1 4.3Å; I279-L325 HydrophobicContact CB-CB 4.32Å; I279-L325 PolarHBondContact N-O 2.73Å; I279-L325 WeakPolarHBondContact O-CB 3.46Å; I279-L325 VanDerWaalsContact O-CD1 3.32Å; I279-L325 WeakPolarHBondContact O-CD1 3.27Å; I279-Y327 HydrophobicContact CD1-CD2 4.38Å; I279-Y327 HydrophobicContact CD1-CE2 4.2Å |
| 280 | E | 96.1 | Very high | 94.5 | Very high | 65 Ų | 65 | 51.8 Ų | 51.8 | 30% | 0.304 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -90 | -45.8 | 178.7 | -64.7 | -70.2 | -174.7 | 0 | 0 | 110.7 | C266 R268 K278 | C266-E280 PolarHBondContact O-N 3.28Å; R268-E280 HydrophobicContact CG-CG 4.31Å; R268-E280 IonicContact CZ-OE1 3.02Å; R268-E280 IonicContact NE-OE1 2.74Å; R268-E280 PolarHBondContact NE-OE1 3.16Å; R268-E280 IonicContact NH2-OE1 2.69Å; R268-E280 PolarHBondContact NH2-OE1 3.05Å; K278-E280 WeakPolarHBondContact CD-OE1 3.24Å; K278-E280 WeakPolarHBondContact CE-OE2 3.36Å; K278-E280 VanDerWaalsContact NZ-CD 3.32Å; K278-E280 IonicContact NZ-OE1 3.29Å; K278-E280 PolarHBondContact NZ-OE1 3.28Å; K278-E280 IonicContact NZ-OE2 2.62Å; K278-E280 PolarHBondContact NZ-OE2 3.26Å |
| 281 | D | 96.1 | Very high | 94.1 | Very high | 57 Ų | 57 | 55.1 Ų | 55.1 | 31% | 0.305 | 27% | 0.268 | S | S | . | . | trans | -112.6 | 97 | 172.1 | -175 | -17.6 | 0 | 0 | 0 | 109.9 | C266 A283 H284 V285 | C266-D281 HydrophobicContact CB-CB 3.89Å; C266-D281 PolarHBondContact O-N 3.23Å; C266-D281 VanDerWaalsContact O-N 3.11Å; D281-A283 VanDerWaalsContact C-N 3.31Å; D281-A283 PolarHBondContact O-N 2.77Å; D281-A283 WeakPolarHBondContact OD1-CA 3.46Å; D281-A283 WeakPolarHBondContact OD1-CB 3.3Å; D281-A283 PolarHBondContact OD1-N 3.44Å; D281-H284 HydrophobicContact CB-CB 3.96Å; D281-H284 PolarHBondContact OD1-N 3.2Å; D281-H284 VanDerWaalsContact OD2-CB 3.23Å; D281-H284 WeakPolarHBondContact OD2-CB 3.46Å; D281-V285 WeakPolarHBondContact O-CG2 3.35Å; D281-V285 PolarHBondContact O-N 3.07Å; D281-V285 VanDerWaalsContact O-N 3.11Å | ||
| 282 | S | 96.5 | Very high | 93.7 | Very high | 34 Ų | 34 | 56.4 Ų | 56.4 | 24% | 0.238 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.2 | -25.4 | 179.7 | 54.9 | 0 | 0 | 0 | 0 | 113.9 | A286 | S282-A286 VanDerWaalsContact O-CB 3.31Å; S282-A286 WeakPolarHBondContact O-CB 3.46Å; S282-A286 PolarHBondContact O-N 3.41Å |
| 283 | A | 95.6 | Very high | 93.3 | Very high | 49 Ų | 49 | 54.8 Ų | 54.8 | 41% | 0.405 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -77.1 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | D281 A286 R287 | D281-A283 VanDerWaalsContact C-N 3.31Å; D281-A283 PolarHBondContact O-N 2.77Å; D281-A283 WeakPolarHBondContact OD1-CA 3.46Å; D281-A283 WeakPolarHBondContact OD1-CB 3.3Å; D281-A283 PolarHBondContact OD1-N 3.44Å; A283-A286 PolarHBondContact O-N 2.9Å; A283-R287 WeakPolarHBondContact O-CG 3.41Å; A283-R287 PolarHBondContact O-N 3Å |
| 284 | H | 93.6 | Very high | 92.9 | Very high | 70 Ų | 70 | 53.3 Ų | 53.3 | 32% | 0.324 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 178.8 | -166 | 171.3 | 0 | 0 | 0 | 112.1 | C266 D281 A286 R287 L288 | C266-H284 HydrophobicContact CB-CB 4.12Å; D281-H284 HydrophobicContact CB-CB 3.96Å; D281-H284 PolarHBondContact OD1-N 3.2Å; D281-H284 VanDerWaalsContact OD2-CB 3.23Å; D281-H284 WeakPolarHBondContact OD2-CB 3.46Å; H284-A286 PolarHBondContact O-N 3.05Å; H284-R287 PolarHBondContact O-N 3.22Å; H284-R287 VanDerWaalsContact O-N 3.16Å; H284-L288 WeakPolarHBondContact O-CG 3.36Å; H284-L288 PolarHBondContact O-N 2.81Å |
| 285 | V | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.8 | -35.7 | 173.4 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | F252 L253 L256 C266 I267 I279 D281 W289 L303 | F252-V285 HydrophobicContact CE1-CG1 4.5Å; L253-V285 HydrophobicContact CD2-CG1 3.67Å; L256-V285 HydrophobicContact CD1-CG1 4.31Å; L256-V285 HydrophobicContact CD1-CG2 4.39Å; C266-V285 HydrophobicContact CB-CG2 3.98Å; I267-V285 HydrophobicContact CB-CG2 4.03Å; I267-V285 HydrophobicContact CG2-CG2 4.38Å; I279-V285 HydrophobicContact CD1-CG1 4.39Å; I279-V285 HydrophobicContact CG2-CB 4.31Å; I279-V285 HydrophobicContact CG2-CG2 4.05Å; D281-V285 WeakPolarHBondContact O-CG2 3.35Å; D281-V285 PolarHBondContact O-N 3.07Å; D281-V285 VanDerWaalsContact O-N 3.11Å; V285-W289 WeakPolarHBondContact O-CB 3.42Å; V285-W289 PolarHBondContact O-N 3.09Å; V285-L303 HydrophobicContact CG1-CD1 4.14Å |
| 286 | A | 95.9 | Very high | 92 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 2% | 0.017 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.6 | -38 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | S282 A283 H284 W289 G290 M298 L303 | S282-A286 VanDerWaalsContact O-CB 3.31Å; S282-A286 WeakPolarHBondContact O-CB 3.46Å; S282-A286 PolarHBondContact O-N 3.41Å; A283-A286 PolarHBondContact O-N 2.9Å; H284-A286 PolarHBondContact O-N 3.05Å; A286-W289 PolarHBondContact O-N 2.91Å; A286-G290 PolarHBondContact O-N 2.89Å; A286-M298 VanDerWaalsContact O-CG 3.26Å; A286-M298 WeakPolarHBondContact O-CG 3.4Å; A286-L303 HydrophobicContact CB-CD1 4.14Å |
| 287 | R | 92.6 | Very high | 91.6 | Very high | 145 Ų | 145 | 62.9 Ų | 62.9 | 55% | 0.547 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.2 | -48.8 | 172.6 | -71.3 | -168.8 | -56.5 | -94.9 | 0.4 | 111.4 | A283 H284 W289 G290 L291 | A283-R287 WeakPolarHBondContact O-CG 3.41Å; A283-R287 PolarHBondContact O-N 3Å; H284-R287 PolarHBondContact O-N 3.22Å; H284-R287 VanDerWaalsContact O-N 3.16Å; R287-W289 VanDerWaalsContact C-N 3.3Å; R287-W289 PolarHBondContact O-N 2.87Å; R287-G290 WeakPolarHBondContact O-CA 3.31Å; R287-G290 PolarHBondContact O-N 2.88Å; R287-G290 VanDerWaalsContact O-N 3.09Å; R287-L291 PolarHBondContact O-N 3.06Å |
| 288 | L | 91.7 | Very high | 91.4 | Very high | 37 Ų | 37 | 64.7 Ų | 64.7 | 19% | 0.194 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.3 | -37.9 | 178.7 | -66.9 | 167.6 | 0 | 0 | 0 | 111.9 | F252 L256 Y263 H284 R292 | F252-L288 HydrophobicContact CE2-CB 4.45Å; F252-L288 HydrophobicContact CZ-CB 3.7Å; L256-L288 HydrophobicContact CD1-CD1 4.48Å; L256-L288 HydrophobicContact CD2-CD1 4.45Å; Y263-L288 HydrophobicContact CD1-CD1 4.18Å; Y263-L288 HydrophobicContact CE1-CD1 4.25Å; H284-L288 WeakPolarHBondContact O-CG 3.36Å; H284-L288 PolarHBondContact O-N 2.81Å; L288-R292 WeakPolarHBondContact O-CB 3.19Å; L288-R292 PolarHBondContact O-N 3.37Å |
| 289 | W | 93.9 | Very high | 91.4 | Very high | 21 Ų | 21 | 65.2 Ų | 65.2 | 8% | 0.08 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69 | -37.3 | 173.2 | -179.2 | -124.7 | 0 | 0 | 0 | 113 | I247 L249 F252 V285 A286 R287 R292 K293 L303 | I247-W289 HydrophobicContact CG2-CH2 4.48Å; I247-W289 HydrophobicContact CG2-CZ3 4.14Å; I247-W289 WeakPolarHBondContact O-CH2 3.33Å; L249-W289 HydrophobicContact CB-CH2 4.09Å; L249-W289 HydrophobicContact CB-CZ2 3.71Å; L249-W289 HydrophobicContact CD1-CD2 3.73Å; L249-W289 HydrophobicContact CD1-CE3 4.24Å; L249-W289 HydrophobicContact CD1-CG 3.84Å; L249-W289 HydrophobicContact CD1-CZ2 4.43Å; L249-W289 VanDerWaalsContact N-CH2 3.3Å; F252-W289 HydrophobicContact CB-CE3 3.71Å; F252-W289 HydrophobicContact CB-CZ3 3.53Å; F252-W289 HydrophobicContact CD1-CB 4.21Å; F252-W289 HydrophobicContact CD1-CD2 4.16Å; F252-W289 AromaticContact CD1-CE3 3.51Å; F252-W289 HydrophobicContact CD1-CE3 3.51Å; F252-W289 HydrophobicContact CD1-CG 4.47Å; F252-W289 HydrophobicContact CD1-CZ3 4.24Å; F252-W289 AromaticContact CD2-CE3 3.93Å; F252-W289 HydrophobicContact CD2-CE3 3.93Å; F252-W289 HydrophobicContact CD2-CZ3 4.34Å; F252-W289 HydrophobicContact CE1-CB 3.68Å; F252-W289 HydrophobicContact CE1-CD2 4.5Å; F252-W289 HydrophobicContact CE1-CE3 4.07Å; F252-W289 HydrophobicContact CE1-CG 4.4Å; F252-W289 HydrophobicContact CE2-CE3 4.43Å; F252-W289 HydrophobicContact CG-CD2 4.47Å; F252-W289 AromaticContact CG-CE3 3.42Å; F252-W289 HydrophobicContact CG-CE3 3.42Å; F252-W289 VanDerWaalsContact CG-CE3 3.42Å; F252-W289 AromaticContact CG-CZ3 3.79Å; F252-W289 HydrophobicContact CG-CZ3 3.79Å; F252-W289 HydrophobicContact CZ-CB 4.09Å; F252-W289 HydrophobicContact CZ-CE3 4.49Å; V285-W289 WeakPolarHBondContact O-CB 3.42Å; V285-W289 PolarHBondContact O-N 3.09Å; A286-W289 PolarHBondContact O-N 2.91Å; R287-W289 VanDerWaalsContact C-N 3.3Å; R287-W289 PolarHBondContact O-N 2.87Å; W289-R292 HydrophobicContact CE3-CB 4.39Å; W289-R292 HydrophobicContact CE3-CG 4.39Å; W289-R292 HydrophobicContact CZ3-CG 4.3Å; W289-K293 HydrophobicContact CD2-CG 4.06Å; W289-K293 HydrophobicContact CE3-CG 3.93Å; W289-K293 HydrophobicContact CH2-CD 3.55Å; W289-K293 HydrophobicContact CH2-CG 3.53Å; W289-K293 HydrophobicContact CZ2-CD 4.09Å; W289-K293 HydrophobicContact CZ2-CG 3.65Å; W289-K293 HydrophobicContact CZ3-CD 3.79Å; W289-K293 HydrophobicContact CZ3-CG 3.67Å; W289-K293 PolarHBondContact O-N 3.16Å; W289-L303 HydrophobicContact CB-CD1 3.79Å; W289-L303 HydrophobicContact CG-CD1 4.02Å |
| 290 | G | 90.5 | Very high | 91.4 | Very high | 3 Ų | 3 | 67 Ų | 67 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.9 | -49.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A286 R287 K293 N294 R295 M298 | A286-G290 PolarHBondContact O-N 2.89Å; R287-G290 WeakPolarHBondContact O-CA 3.31Å; R287-G290 PolarHBondContact O-N 2.88Å; R287-G290 VanDerWaalsContact O-N 3.09Å; G290-K293 CarbonylContact O-C 3.46Å; G290-K293 PolarHBondContact O-N 2.88Å; G290-N294 WeakPolarHBondContact O-CA 3.32Å; G290-N294 PolarHBondContact O-N 2.85Å; G290-R295 VanDerWaalsContact CA-O 3.31Å; G290-R295 WeakPolarHBondContact CA-O 3.4Å; G290-R295 PolarHBondContact O-N 3.47Å; G290-M298 VanDerWaalsContact CA-CB 3.45Å |
| 291 | L | 85.7 | Confident | 91.4 | Very high | 142 Ų | 142 | 69.1 Ų | 69.1 | 74% | 0.743 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58.6 | -52.3 | 176 | -174.1 | 62.7 | 0 | 0 | 0 | 111.5 | R287 K293 N294 | R287-L291 PolarHBondContact O-N 3.06Å; L291-K293 PolarHBondContact O-N 2.95Å; L291-N294 PolarHBondContact O-N 2.83Å; L291-N294 VanDerWaalsContact O-N 3.12Å |
| 292 | R | 84.9 | Confident | 91.4 | Very high | 82 Ų | 82 | 71.7 Ų | 71.7 | 31% | 0.309 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.1 | -21.4 | 179.7 | 179.1 | 63.9 | 83.3 | 93.4 | 20.3 | 114.4 | I247 F252 E255 L288 W289 | I247-R292 HydrophobicContact CG2-CG 3.89Å; F252-R292 HydrophobicContact CD2-CB 4.18Å; F252-R292 HydrophobicContact CD2-CG 3.95Å; F252-R292 HydrophobicContact CE2-CB 4.04Å; F252-R292 HydrophobicContact CE2-CG 4.3Å; E255-R292 IonicContact OE2-CZ 3.2Å; E255-R292 VanDerWaalsContact OE2-CZ 3.25Å; E255-R292 IonicContact OE2-NH1 2.8Å; E255-R292 PolarHBondContact OE2-NH1 2.89Å; E255-R292 IonicContact OE2-NH2 2.75Å; E255-R292 PolarHBondContact OE2-NH2 3.22Å; L288-R292 WeakPolarHBondContact O-CB 3.19Å; L288-R292 PolarHBondContact O-N 3.37Å; W289-R292 HydrophobicContact CE3-CB 4.39Å; W289-R292 HydrophobicContact CE3-CG 4.39Å; W289-R292 HydrophobicContact CZ3-CG 4.3Å |
| 293 | K | 84.4 | Confident | 91.4 | Very high | 71 Ų | 71 | 70.1 Ų | 70.1 | 31% | 0.309 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 11.3 | -179.9 | -57.5 | -62.2 | -69.5 | -171.7 | 0 | 113.9 | I247 W289 G290 L291 R295 | I247-K293 HydrophobicContact CG2-CD 3.87Å; I247-K293 PolarHBondContact O-NZ 3.03Å; W289-K293 HydrophobicContact CD2-CG 4.06Å; W289-K293 HydrophobicContact CE3-CG 3.93Å; W289-K293 HydrophobicContact CH2-CD 3.55Å; W289-K293 HydrophobicContact CH2-CG 3.53Å; W289-K293 HydrophobicContact CZ2-CD 4.09Å; W289-K293 HydrophobicContact CZ2-CG 3.65Å; W289-K293 HydrophobicContact CZ3-CD 3.79Å; W289-K293 HydrophobicContact CZ3-CG 3.67Å; W289-K293 PolarHBondContact O-N 3.16Å; G290-K293 CarbonylContact O-C 3.46Å; G290-K293 PolarHBondContact O-N 2.88Å; L291-K293 PolarHBondContact O-N 2.95Å; K293-R295 VanDerWaalsContact C-N 3.34Å; K293-R295 HydrophobicContact CB-CG 4.32Å; K293-R295 WeakPolarHBondContact O-CG 3.45Å; K293-R295 PolarHBondContact O-N 2.81Å |
| 294 | N | 82 | Confident | 91.4 | Very high | 130 Ų | 130 | 67.9 Ų | 67.9 | 70% | 0.695 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44 | 54.6 | -170.3 | -164 | 2.9 | 0 | 0 | 0 | 113.4 | G290 L291 | G290-N294 WeakPolarHBondContact O-CA 3.32Å; G290-N294 PolarHBondContact O-N 2.85Å; L291-N294 PolarHBondContact O-N 2.83Å; L291-N294 VanDerWaalsContact O-N 3.12Å |
| 295 | R | 86.8 | Confident | 91.5 | Very high | 166 Ų | 166 | 73 Ų | 73 | 63% | 0.626 | 35% | 0.351 | S | S | * | . | trans | -125 | 81.9 | 175.3 | -62 | -59.1 | 175.6 | 162.7 | -0.9 | 109.1 | G290 K293 A297 M298 | G290-R295 VanDerWaalsContact CA-O 3.31Å; G290-R295 WeakPolarHBondContact CA-O 3.4Å; G290-R295 PolarHBondContact O-N 3.47Å; K293-R295 VanDerWaalsContact C-N 3.34Å; K293-R295 HydrophobicContact CB-CG 4.32Å; K293-R295 WeakPolarHBondContact O-CG 3.45Å; K293-R295 PolarHBondContact O-N 2.81Å; R295-A297 PolarHBondContact O-N 2.97Å; R295-M298 HydrophobicContact CB-CB 4.48Å; R295-M298 HydrophobicContact CB-CE 4.13Å; R295-M298 WeakPolarHBondContact O-CB 3.41Å; R295-M298 PolarHBondContact O-N 2.93Å | ||
| 296 | P | 81.3 | Confident | 91.5 | Very high | 123 Ų | 123 | 74.8 Ų | 74.8 | 80% | 0.799 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -32.4 | -176.7 | 21.7 | -32.9 | 0 | 0 | 0 | 113 | M298 | P296-M298 PolarHBondContact O-N 3.25Å; P296-M298 VanDerWaalsContact O-N 3.08Å |
| 297 | A | 87.8 | Confident | 91.5 | Very high | 71 Ų | 71 | 74.7 Ų | 74.7 | 59% | 0.587 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 23.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R295 K302 | R295-A297 PolarHBondContact O-N 2.97Å; A297-K302 PolarHBondContact O-NZ 2.98Å |
| 298 | M | 94.4 | Very high | 91.6 | Very high | 38 Ų | 38 | 73 Ų | 73 | 19% | 0.187 | 36% | 0.356 | C | S | . | . | trans | -75.2 | 137.4 | 174.9 | -173.5 | 59.9 | 67.3 | 0 | 0 | 110.8 | A286 G290 R295 P296 K302 L303 | A286-M298 VanDerWaalsContact O-CG 3.26Å; A286-M298 WeakPolarHBondContact O-CG 3.4Å; G290-M298 VanDerWaalsContact CA-CB 3.45Å; R295-M298 HydrophobicContact CB-CB 4.48Å; R295-M298 HydrophobicContact CB-CE 4.13Å; R295-M298 WeakPolarHBondContact O-CB 3.41Å; R295-M298 PolarHBondContact O-N 2.93Å; P296-M298 PolarHBondContact O-N 3.25Å; P296-M298 VanDerWaalsContact O-N 3.08Å; M298-K302 HydrophobicContact SD-CB 3.86Å; M298-L303 HydrophobicContact SD-CB 4.46Å | ||
| 299 | N | 96.5 | Very high | 91.7 | Very high | 63 Ų | 63 | 77.1 Ų | 77.1 | 34% | 0.337 | 37% | 0.374 | S | S | . | . | trans | -142.7 | 172.1 | 175.2 | 73.6 | -0 | 0 | 0 | 0 | 110.6 | D301 K302 L303 | N299-D301 VanDerWaalsContact C-N 3.29Å; N299-D301 PolarHBondContact O-N 3.11Å; N299-D301 PolarHBondContact OD1-N 2.82Å; N299-K302 PolarHBondContact O-N 3.39Å; N299-K302 WeakPolarHBondContact OD1-CB 3.46Å; N299-K302 VanDerWaalsContact OD1-CG 3.22Å; N299-K302 WeakPolarHBondContact OD1-CG 3.36Å; N299-K302 PolarHBondContact OD1-N 2.79Å; N299-L303 WeakPolarHBondContact O-CB 3.42Å; N299-L303 PolarHBondContact O-N 3.35Å | ||
| 300 | Y | 97.1 | Very high | 91.8 | Very high | 39 Ų | 39 | 77.1 Ų | 77.1 | 15% | 0.153 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.2 | -30.2 | -176.3 | -176.8 | -107.9 | 0 | 0 | 0 | 113.5 | I279 L303 S304 L325 Y327 | I279-Y300 HydrophobicContact CD1-CE2 4.4Å; Y300-L303 HydrophobicContact CD2-CD2 4.32Å; Y300-L303 HydrophobicContact CE2-CD2 4.28Å; Y300-L303 PolarHBondContact O-N 3.13Å; Y300-S304 WeakPolarHBondContact O-CB 3.39Å; Y300-S304 PolarHBondContact O-N 3.11Å; Y300-S304 PolarHBondContact O-OG 3.21Å; Y300-L325 HydrophobicContact CE1-CD2 3.76Å; Y300-L325 HydrophobicContact CE2-CD2 4.36Å; Y300-L325 WeakPolarHBondContact OH-CD2 3.44Å; Y300-Y327 PolarHBondContact OH-OH 2.85Å |
| 301 | D | 96.3 | Very high | 92 | Very high | 108 Ų | 108 | 81.4 Ų | 81.4 | 58% | 0.578 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.3 | -43.3 | 177.2 | -56.7 | -65.5 | 0 | 0 | 0 | 111.6 | N299 S304 R305 | N299-D301 VanDerWaalsContact C-N 3.29Å; N299-D301 PolarHBondContact O-N 3.11Å; N299-D301 PolarHBondContact OD1-N 2.82Å; D301-S304 PolarHBondContact O-OG 3.11Å; D301-R305 VanDerWaalsContact O-CG 3.27Å; D301-R305 WeakPolarHBondContact O-CG 3.49Å; D301-R305 PolarHBondContact O-N 3.14Å; D301-R305 VanDerWaalsContact O-N 3.16Å |
| 302 | K | 95.4 | Very high | 92.2 | Very high | 111 Ų | 111 | 84.5 Ų | 84.5 | 48% | 0.483 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.1 | -50.2 | 173.4 | -68.4 | 169 | -170.4 | -179.3 | 0 | 111.1 | A297 M298 N299 S304 R305 | A297-K302 PolarHBondContact O-NZ 2.98Å; M298-K302 HydrophobicContact SD-CB 3.86Å; N299-K302 PolarHBondContact O-N 3.39Å; N299-K302 WeakPolarHBondContact OD1-CB 3.46Å; N299-K302 VanDerWaalsContact OD1-CG 3.22Å; N299-K302 WeakPolarHBondContact OD1-CG 3.36Å; N299-K302 PolarHBondContact OD1-N 2.79Å; K302-S304 VanDerWaalsContact C-N 3.34Å; K302-S304 PolarHBondContact O-N 2.86Å; K302-R305 WeakPolarHBondContact O-CB 3.42Å; K302-R305 PolarHBondContact O-N 3.38Å; K302-R305 VanDerWaalsContact O-N 3.14Å |
| 303 | L | 96.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 87.9 Ų | 87.9 | 1% | 0.005 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -57.8 | -45.3 | 178.5 | -173.7 | 155.2 | 0 | 0 | 0 | 111.7 | L249 V285 A286 W289 M298 N299 Y300 R305 S306 I307 | L249-L303 HydrophobicContact CD1-CD1 3.91Å; L249-L303 HydrophobicContact CD1-CD2 4.16Å; L249-L303 HydrophobicContact CD1-CG 3.76Å; L249-L303 HydrophobicContact CD2-CD2 3.89Å; L249-L303 HydrophobicContact CD2-CG 3.78Å; L249-L303 WeakPolarHBondContact CD2-O 3.47Å; L249-L303 HydrophobicContact CG-CG 4.44Å; V285-L303 HydrophobicContact CG1-CD1 4.14Å; A286-L303 HydrophobicContact CB-CD1 4.14Å; W289-L303 HydrophobicContact CB-CD1 3.79Å; W289-L303 HydrophobicContact CG-CD1 4.02Å; M298-L303 HydrophobicContact SD-CB 4.46Å; N299-L303 WeakPolarHBondContact O-CB 3.42Å; N299-L303 PolarHBondContact O-N 3.35Å; Y300-L303 HydrophobicContact CD2-CD2 4.32Å; Y300-L303 HydrophobicContact CE2-CD2 4.28Å; Y300-L303 PolarHBondContact O-N 3.13Å; L303-R305 VanDerWaalsContact C-N 3.31Å; L303-R305 PolarHBondContact O-N 3.16Å; L303-S306 WeakPolarHBondContact O-CB 3.48Å; L303-S306 PolarHBondContact O-N 3.14Å; L303-S306 VanDerWaalsContact O-N 3.14Å; L303-I307 HydrophobicContact CD2-CD1 3.6Å; L303-I307 HydrophobicContact CD2-CG1 4.15Å; L303-I307 PolarHBondContact O-N 3.38Å |
| 304 | S | 96.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 86.1 Ų | 86.1 | 2% | 0.021 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -71.7 | -20.1 | -179.8 | 69.5 | 0 | 0 | 0 | 0 | 113.6 | Y300 D301 K302 S306 I307 R308 | Y300-S304 WeakPolarHBondContact O-CB 3.39Å; Y300-S304 PolarHBondContact O-N 3.11Å; Y300-S304 PolarHBondContact O-OG 3.21Å; D301-S304 PolarHBondContact O-OG 3.11Å; K302-S304 VanDerWaalsContact C-N 3.34Å; K302-S304 PolarHBondContact O-N 2.86Å; S304-S306 VanDerWaalsContact C-N 3.32Å; S304-I307 PolarHBondContact O-N 3.4Å; S304-R308 VanDerWaalsContact C-CZ 3.41Å; S304-R308 VanDerWaalsContact C-NH2 3.26Å; S304-R308 VanDerWaalsContact CB-NH1 3.31Å; S304-R308 WeakPolarHBondContact O-CG 3.4Å; S304-R308 PolarHBondContact O-N 3.38Å; S304-R308 PolarHBondContact O-NE 3.32Å; S304-R308 PolarHBondContact O-NH1 3.03Å; S304-R308 PolarHBondContact O-NH2 3.46Å; S304-R308 PolarHBondContact OG-NH1 2.87Å; S304-R308 PolarHBondContact OG-NH2 2.8Å |
| 305 | R | 95.8 | Very high | 93.5 | Very high | 177 Ų | 177 | 82 Ų | 82 | 67% | 0.668 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.1 | -43.8 | 167.7 | -69 | -89.7 | 179.7 | 102 | -2.3 | 109.8 | D301 K302 L303 R308 Q309 | D301-R305 VanDerWaalsContact O-CG 3.27Å; D301-R305 WeakPolarHBondContact O-CG 3.49Å; D301-R305 PolarHBondContact O-N 3.14Å; D301-R305 VanDerWaalsContact O-N 3.16Å; K302-R305 WeakPolarHBondContact O-CB 3.42Å; K302-R305 PolarHBondContact O-N 3.38Å; K302-R305 VanDerWaalsContact O-N 3.14Å; L303-R305 VanDerWaalsContact C-N 3.31Å; L303-R305 PolarHBondContact O-N 3.16Å; R305-R308 VanDerWaalsContact N-NH2 3.11Å; R305-R308 PolarHBondContact O-N 3.31Å; R305-Q309 WeakPolarHBondContact O-CG 3.38Å; R305-Q309 PolarHBondContact O-N 2.97Å; R305-Q309 VanDerWaalsContact O-N 3.11Å |
| 306 | S | 94.5 | Very high | 93.9 | Very high | 37 Ų | 37 | 74.1 Ų | 74.1 | 26% | 0.259 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 177.1 | -59 | 0 | 0 | 0 | 0 | 112.8 | L303 S304 R308 Q309 Y310 | L303-S306 WeakPolarHBondContact O-CB 3.48Å; L303-S306 PolarHBondContact O-N 3.14Å; L303-S306 VanDerWaalsContact O-N 3.14Å; S304-S306 VanDerWaalsContact C-N 3.32Å; S306-R308 VanDerWaalsContact C-N 3.32Å; S306-R308 PolarHBondContact O-N 3.45Å; S306-Q309 WeakPolarHBondContact O-CB 3.37Å; S306-Q309 PolarHBondContact O-N 3.47Å; S306-Q309 VanDerWaalsContact O-N 3.13Å; S306-Y310 WeakPolarHBondContact O-CD2 3.22Å; S306-Y310 PolarHBondContact O-N 2.98Å |
| 307 | I | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60 | -42.8 | 172.6 | -59.8 | 177.8 | 0 | 0 | 0 | 111.1 | L249 L253 I279 L303 S304 Q309 Y310 Y311 I316 Y327 | L249-I307 HydrophobicContact CD2-CG1 3.75Å; L253-I307 HydrophobicContact CD1-CD1 4.04Å; L253-I307 HydrophobicContact CD1-CG1 4.28Å; I279-I307 HydrophobicContact CD1-CD1 4.3Å; L303-I307 HydrophobicContact CD2-CD1 3.6Å; L303-I307 HydrophobicContact CD2-CG1 4.15Å; L303-I307 PolarHBondContact O-N 3.38Å; S304-I307 PolarHBondContact O-N 3.4Å; I307-Q309 VanDerWaalsContact C-N 3.28Å; I307-Q309 PolarHBondContact O-N 3.34Å; I307-Y310 WeakPolarHBondContact O-CB 3.34Å; I307-Y310 PolarHBondContact O-N 3.24Å; I307-Y310 VanDerWaalsContact O-N 3.07Å; I307-Y311 HydrophobicContact CG2-CE1 4.06Å; I307-Y311 WeakPolarHBondContact O-CD1 3.42Å; I307-I316 HydrophobicContact CG2-CG2 4.24Å; I307-Y327 HydrophobicContact CD1-CE2 4.23Å; I307-Y327 HydrophobicContact CG2-CD1 3.67Å; I307-Y327 HydrophobicContact CG2-CE1 3.55Å; I307-Y327 HydrophobicContact CG2-CG 4.37Å |
| 308 | R | 94.9 | Very high | 94.9 | Very high | 111 Ų | 111 | 75.5 Ų | 75.5 | 42% | 0.419 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64 | -29.2 | 176.2 | -72.7 | -179 | -70.2 | -87.3 | -1 | 113.2 | S304 R305 S306 Y310 Y311 | S304-R308 VanDerWaalsContact C-CZ 3.41Å; S304-R308 VanDerWaalsContact C-NH2 3.26Å; S304-R308 VanDerWaalsContact CB-NH1 3.31Å; S304-R308 WeakPolarHBondContact O-CG 3.4Å; S304-R308 PolarHBondContact O-N 3.38Å; S304-R308 PolarHBondContact O-NE 3.32Å; S304-R308 PolarHBondContact O-NH1 3.03Å; S304-R308 PolarHBondContact O-NH2 3.46Å; S304-R308 PolarHBondContact OG-NH1 2.87Å; S304-R308 PolarHBondContact OG-NH2 2.8Å; R305-R308 VanDerWaalsContact N-NH2 3.11Å; R305-R308 PolarHBondContact O-N 3.31Å; S306-R308 VanDerWaalsContact C-N 3.32Å; S306-R308 PolarHBondContact O-N 3.45Å; R308-Y310 VanDerWaalsContact C-N 3.35Å; R308-Y311 HydrophobicContact CG-CE2 4.11Å; R308-Y311 WeakPolarHBondContact O-CB 3.39Å |
| 309 | Q | 94.8 | Very high | 94.8 | Very high | 123 Ų | 123 | 74.1 Ų | 74.1 | 58% | 0.575 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -68.4 | -33.6 | 172.1 | -70.1 | 169 | -21.7 | 0 | 0 | 112.1 | R305 S306 I307 Y311 K312 | R305-Q309 WeakPolarHBondContact O-CG 3.38Å; R305-Q309 PolarHBondContact O-N 2.97Å; R305-Q309 VanDerWaalsContact O-N 3.11Å; S306-Q309 WeakPolarHBondContact O-CB 3.37Å; S306-Q309 PolarHBondContact O-N 3.47Å; S306-Q309 VanDerWaalsContact O-N 3.13Å; I307-Q309 VanDerWaalsContact C-N 3.28Å; I307-Q309 PolarHBondContact O-N 3.34Å; Q309-Y311 PolarHBondContact O-N 3.08Å; Q309-K312 PolarHBondContact O-N 3.16Å |
| 310 | Y | 95.6 | Very high | 94.5 | Very high | 21 Ų | 21 | 77.9 Ų | 77.9 | 8% | 0.082 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.6 | -18.6 | 178.7 | -64 | -35.1 | 0 | 0 | 0 | 114.3 | L249 W250 S306 I307 R308 K313 G314 I315 I316 | L249-Y310 HydrophobicContact CB-CE2 4.01Å; L249-Y310 HydrophobicContact CD2-CE2 4.35Å; L249-Y310 HydrophobicContact CG-CE2 4.35Å; L249-Y310 PolarHBondContact N-OH 3.3Å; W250-Y310 HydrophobicContact CB-CD2 4.16Å; W250-Y310 HydrophobicContact CB-CE2 3.76Å; W250-Y310 AromaticContact CD1-CZ 3.81Å; W250-Y310 HydrophobicContact CG-CE2 4.49Å; S306-Y310 WeakPolarHBondContact O-CD2 3.22Å; S306-Y310 PolarHBondContact O-N 2.98Å; I307-Y310 WeakPolarHBondContact O-CB 3.34Å; I307-Y310 PolarHBondContact O-N 3.24Å; I307-Y310 VanDerWaalsContact O-N 3.07Å; R308-Y310 VanDerWaalsContact C-N 3.35Å; Y310-K313 CarbonylContact O-C 3.49Å; Y310-K313 PolarHBondContact O-N 3.29Å; Y310-G314 PolarHBondContact O-N 2.95Å; Y310-G314 VanDerWaalsContact O-N 3.11Å; Y310-I315 HydrophobicContact CD1-CD1 3.95Å; Y310-I315 HydrophobicContact CE1-CD1 4.32Å; Y310-I315 HydrophobicContact CG-CB 4.44Å; Y310-I315 PolarHBondContact O-N 2.62Å; Y310-I316 CarbonylContact C-O 3.57Å; Y310-I316 HydrophobicContact CD2-CD1 4.04Å; Y310-I316 HydrophobicContact CD2-CG1 4.46Å |
| 311 | Y | 94.3 | Very high | 94.1 | Very high | 93 Ų | 93 | 80.9 Ų | 80.9 | 37% | 0.365 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 172.8 | -59.6 | -5.6 | 0 | 0 | 0 | 111.5 | I307 R308 Q309 K313 G314 I316 Y327 | I307-Y311 HydrophobicContact CG2-CE1 4.06Å; I307-Y311 WeakPolarHBondContact O-CD1 3.42Å; R308-Y311 HydrophobicContact CG-CE2 4.11Å; R308-Y311 WeakPolarHBondContact O-CB 3.39Å; Q309-Y311 PolarHBondContact O-N 3.08Å; Y311-K313 VanDerWaalsContact C-N 3.29Å; Y311-K313 PolarHBondContact O-N 3.48Å; Y311-G314 PolarHBondContact O-N 2.75Å; Y311-I316 VanDerWaalsContact CA-O 3.27Å; Y311-I316 WeakPolarHBondContact CA-O 3.45Å; Y311-I316 WeakPolarHBondContact CD1-O 3.44Å; Y311-I316 HydrophobicContact CE1-CG2 4.4Å; Y311-I316 PolarHBondContact N-O 3.28Å; Y311-Y327 WeakPolarHBondContact OH-CE1 3.47Å |
| 312 | K | 90.6 | Very high | 93.8 | Very high | 206 Ų | 206 | 79.4 Ų | 79.4 | 90% | 0.896 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -72.5 | -21.9 | 176.5 | -70.6 | -165.9 | 175.2 | -168.3 | 0 | 113.1 | Q309 | Q309-K312 PolarHBondContact O-N 3.16Å |
| 313 | K | 91 | Very high | 93.7 | Very high | 154 Ų | 154 | 79.3 Ų | 79.3 | 67% | 0.67 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -1.1 | 178.1 | -64.1 | -162.9 | 173.3 | -163.7 | 0 | 114 | Y310 Y311 I315 | Y310-K313 CarbonylContact O-C 3.49Å; Y310-K313 PolarHBondContact O-N 3.29Å; Y311-K313 VanDerWaalsContact C-N 3.29Å; Y311-K313 PolarHBondContact O-N 3.48Å; K313-I315 HydrophobicContact CB-CD1 4.06Å; K313-I315 HydrophobicContact CB-CG1 4.08Å; K313-I315 PolarHBondContact O-N 2.84Å |
| 314 | G | 93.4 | Very high | 93.7 | Very high | 34 Ų | 34 | 90.2 Ų | 90.2 | 35% | 0.351 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 24 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y310 Y311 V330 | Y310-G314 PolarHBondContact O-N 2.95Å; Y310-G314 VanDerWaalsContact O-N 3.11Å; Y311-G314 PolarHBondContact O-N 2.75Å; G314-V330 WeakPolarHBondContact O-CB 3.27Å; G314-V330 VanDerWaalsContact O-CG2 3.31Å; G314-V330 WeakPolarHBondContact O-CG2 3.46Å |
| 315 | I | 94.3 | Very high | 93.6 | Very high | 44 Ų | 44 | 92.3 Ų | 92.3 | 23% | 0.226 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -95.2 | -45.9 | -179.5 | -56.6 | 174.3 | 0 | 0 | 0 | 110.3 | W250 Y310 K313 V330 | W250-I315 HydrophobicContact CB-CG2 3.83Å; W250-I315 HydrophobicContact CD2-CG2 3.81Å; W250-I315 HydrophobicContact CE3-CG2 4.17Å; W250-I315 HydrophobicContact CG-CG2 3.67Å; Y310-I315 HydrophobicContact CD1-CD1 3.95Å; Y310-I315 HydrophobicContact CE1-CD1 4.32Å; Y310-I315 HydrophobicContact CG-CB 4.44Å; Y310-I315 PolarHBondContact O-N 2.62Å; K313-I315 HydrophobicContact CB-CD1 4.06Å; K313-I315 HydrophobicContact CB-CG1 4.08Å; K313-I315 PolarHBondContact O-N 2.84Å; I315-V330 PolarHBondContact O-N 3.29Å |
| 316 | I | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 140.2 | 174.3 | -61.8 | -177.8 | 0 | 0 | 0 | 107.2 | W250 L253 F277 I307 Y310 Y311 Y327 Q328 F329 | W250-I316 HydrophobicContact CB-CD1 4.42Å; L253-I316 HydrophobicContact CD1-CD1 4.49Å; F277-I316 HydrophobicContact CE1-CD1 4.46Å; F277-I316 HydrophobicContact CZ-CD1 4.2Å; I307-I316 HydrophobicContact CG2-CG2 4.24Å; Y310-I316 CarbonylContact C-O 3.57Å; Y310-I316 HydrophobicContact CD2-CD1 4.04Å; Y310-I316 HydrophobicContact CD2-CG1 4.46Å; Y311-I316 VanDerWaalsContact CA-O 3.27Å; Y311-I316 WeakPolarHBondContact CA-O 3.45Å; Y311-I316 WeakPolarHBondContact CD1-O 3.44Å; Y311-I316 HydrophobicContact CE1-CG2 4.4Å; Y311-I316 PolarHBondContact N-O 3.28Å; I316-Y327 HydrophobicContact CG2-CD1 4.26Å; I316-Q328 CarbonylContact C-O 3.58Å; I316-Q328 VanDerWaalsContact CA-O 3.3Å; I316-Q328 WeakPolarHBondContact CA-O 3.26Å; I316-Q328 WeakPolarHBondContact CG2-O 3.23Å; I316-F329 HydrophobicContact CD1-CD1 4.3Å; I316-F329 HydrophobicContact CD1-CE1 3.93Å; I316-F329 HydrophobicContact CD1-CZ 4.47Å; I316-F329 HydrophobicContact CG1-CD1 3.81Å; I316-F329 HydrophobicContact CG1-CE1 3.94Å |
| 317 | R | 95.1 | Very high | 93.8 | Very high | 108 Ų | 108 | 83.4 Ų | 83.4 | 41% | 0.408 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 170.9 | 169.8 | 69.3 | -179.2 | -170.9 | -153.2 | 3.8 | 111.2 | Q328 V330 | R317-Q328 HydrophobicContact CG-CB 4.06Å; R317-Q328 HydrophobicContact CG-CG 4.26Å; R317-Q328 PolarHBondContact N-O 2.96Å; R317-Q328 VanDerWaalsContact NH2-OE1 3.08Å; R317-Q328 PolarHBondContact O-N 3.37Å; R317-V330 HydrophobicContact CB-CG2 3.98Å; R317-V330 HydrophobicContact CG-CG2 4.03Å |
| 318 | K | 93.8 | Very high | 93.8 | Very high | 114 Ų | 114 | 83.8 Ų | 83.8 | 50% | 0.496 | 39% | 0.393 | S | S | . | . | trans | -79 | 134.7 | 167.7 | -162.9 | -179.7 | -177.9 | -165.2 | 0 | 108.3 | S322 | K318-S322 VanDerWaalsContact CE-CB 3.47Å; K318-S322 WeakPolarHBondContact CE-OG 3.31Å; K318-S322 PolarHBondContact NZ-OG 2.98Å | ||
| 319 | P | 93.3 | Very high | 93.9 | Very high | 10 Ų | 10 | 78.9 Ų | 78.9 | 7% | 0.065 | 38% | 0.375 | C | S | . | . | trans | -65.5 | 157.6 | 173.6 | -11.7 | 23.9 | 0 | 0 | 0 | 111.5 | I276 V321 V326 Q328 | I276-P319 HydrophobicContact CG2-CG 4.35Å; P319-V321 VanDerWaalsContact C-N 3.26Å; P319-V321 PolarHBondContact O-N 3.03Å; P319-V326 HydrophobicContact CG-CB 4.49Å; P319-V326 HydrophobicContact CG-CG1 3.87Å; P319-Q328 HydrophobicContact CG-CB 4.19Å | ||
| 320 | D | 89.1 | Confident | 93.7 | Very high | 142 Ų | 142 | 75.2 Ų | 75.2 | 76% | 0.759 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -55 | -43.8 | 178.6 | -39.7 | -57.8 | 0 | 0 | 0 | 111.1 | S322 | D320-S322 PolarHBondContact O-N 3.17Š|
| 321 | V | 90 | Very high | 93.1 | Very high | 102 Ų | 102 | 81.1 Ų | 81.1 | 62% | 0.618 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -86.2 | 98.1 | 170.1 | -172.5 | 0 | 0 | 0 | 0 | 109.6 | P319 Q323 | P319-V321 VanDerWaalsContact C-N 3.26Å; P319-V321 PolarHBondContact O-N 3.03Å; V321-Q323 HydrophobicContact CG1-CG 4.16Å; V321-Q323 PolarHBondContact O-N 3.31Å |
| 322 | S | 88.9 | Confident | 91.9 | Very high | 76 Ų | 76 | 80.5 Ų | 80.5 | 53% | 0.531 | 40% | 0.396 | S | S | . | . | trans | -63.7 | 97.7 | 179.6 | 166.8 | 0 | 0 | 0 | 0 | 113.5 | K318 D320 | K318-S322 VanDerWaalsContact CE-CB 3.47Å; K318-S322 WeakPolarHBondContact CE-OG 3.31Å; K318-S322 PolarHBondContact NZ-OG 2.98Å; D320-S322 PolarHBondContact O-N 3.17Å | ||
| 323 | Q | 94.4 | Very high | 90.3 | Very high | 110 Ų | 110 | 74.3 Ų | 74.3 | 51% | 0.514 | 38% | 0.375 | S | S | . | . | trans | -115.5 | 158.5 | 174.6 | -62.7 | -173.8 | 13.1 | 0 | 0 | 113.2 | V321 V326 | V321-Q323 HydrophobicContact CG1-CG 4.16Å; V321-Q323 PolarHBondContact O-N 3.31Å; Q323-V326 HydrophobicContact CB-CB 4.04Å; Q323-V326 HydrophobicContact CB-CG2 3.59Å | ||
| 324 | R | 94.6 | Very high | 90.3 | Very high | 230 Ų | 230 | 70.3 Ų | 70.3 | 87% | 0.868 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 133.9 | 176.1 | -75.3 | -171.3 | 173.7 | -145.1 | 0.5 | 110.8 | V326 | R324-V326 PolarHBondContact O-N 3.34Å; R324-V326 VanDerWaalsContact O-N 3.16Å |
| 325 | L | 96.1 | Very high | 90.1 | Very high | 46 Ų | 46 | 72.2 Ų | 72.2 | 24% | 0.241 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 12.4 | 179.2 | -46.7 | -178.4 | 0 | 0 | 0 | 115.4 | K278 I279 Y300 Y327 | K278-L325 WeakPolarHBondContact CA-O 3.48Å; I279-L325 HydrophobicContact CB-CB 4.32Å; I279-L325 PolarHBondContact N-O 2.73Å; I279-L325 WeakPolarHBondContact O-CB 3.46Å; I279-L325 VanDerWaalsContact O-CD1 3.32Å; I279-L325 WeakPolarHBondContact O-CD1 3.27Å; Y300-L325 HydrophobicContact CE1-CD2 3.76Å; Y300-L325 HydrophobicContact CE2-CD2 4.36Å; Y300-L325 WeakPolarHBondContact OH-CD2 3.44Å; L325-Y327 WeakPolarHBondContact O-CD2 3.32Å |
| 326 | V | 96.9 | Very high | 89.9 | Confident | 9 Ų | 9 | 73.8 Ų | 73.8 | 6% | 0.055 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 134.5 | 176.4 | -170.2 | 0 | 0 | 0 | 0 | 110.3 | L270 I276 F277 K278 P319 Q323 R324 | L270-V326 HydrophobicContact CD1-CG1 3.68Å; L270-V326 HydrophobicContact CD1-CG2 3.98Å; I276-V326 HydrophobicContact CG2-CG1 3.75Å; F277-V326 WeakPolarHBondContact O-CA 3.4Å; F277-V326 WeakPolarHBondContact O-CG1 3.32Å; K278-V326 HydrophobicContact CB-CG2 4.11Å; K278-V326 HydrophobicContact CD-CG2 4Å; K278-V326 HydrophobicContact CG-CG2 3.92Å; P319-V326 HydrophobicContact CG-CB 4.49Å; P319-V326 HydrophobicContact CG-CG1 3.87Å; Q323-V326 HydrophobicContact CB-CB 4.04Å; Q323-V326 HydrophobicContact CB-CG2 3.59Å; R324-V326 PolarHBondContact O-N 3.34Å; R324-V326 VanDerWaalsContact O-N 3.16Å |
| 327 | Y | 96.6 | Very high | 89.5 | Confident | 18 Ų | 18 | 78.1 Ų | 78.1 | 7% | 0.071 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 159 | -172.7 | -64.8 | -71.6 | 0 | 0 | 0 | 110.4 | I276 F277 I279 Y300 I307 Y311 I316 L325 | I276-Y327 WeakPolarHBondContact CA-O 3.43Å; F277-Y327 HydrophobicContact CE2-CD2 4.05Å; F277-Y327 HydrophobicContact CE2-CG 4.33Å; F277-Y327 VanDerWaalsContact CZ-CB 3.45Å; F277-Y327 HydrophobicContact CZ-CD2 4.34Å; F277-Y327 HydrophobicContact CZ-CG 4.18Å; F277-Y327 PolarHBondContact N-O 2.79Å; F277-Y327 PolarHBondContact O-N 3.11Å; I279-Y327 HydrophobicContact CD1-CD2 4.38Å; I279-Y327 HydrophobicContact CD1-CE2 4.2Å; Y300-Y327 PolarHBondContact OH-OH 2.85Å; I307-Y327 HydrophobicContact CD1-CE2 4.23Å; I307-Y327 HydrophobicContact CG2-CD1 3.67Å; I307-Y327 HydrophobicContact CG2-CE1 3.55Å; I307-Y327 HydrophobicContact CG2-CG 4.37Å; Y311-Y327 WeakPolarHBondContact OH-CE1 3.47Å; I316-Y327 HydrophobicContact CG2-CD1 4.26Å; L325-Y327 WeakPolarHBondContact O-CD2 3.32Å |
| 328 | Q | 96.4 | Very high | 89.2 | Confident | 9 Ų | 9 | 76.3 Ų | 76.3 | 4% | 0.042 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 123 | 177.6 | -178.9 | 170.1 | 37.2 | 0 | 0 | 110.3 | K274 G275 I276 I316 R317 P319 | K274-Q328 WeakPolarHBondContact O-CG 3.47Å; K274-Q328 PolarHBondContact O-NE2 3.19Å; G275-Q328 CarbonylContact O-C 3.58Å; G275-Q328 WeakPolarHBondContact O-CA 3.17Å; I276-Q328 HydrophobicContact CG1-CB 4.2Å; I276-Q328 HydrophobicContact CG1-CG 3.92Å; I316-Q328 CarbonylContact C-O 3.58Å; I316-Q328 VanDerWaalsContact CA-O 3.3Å; I316-Q328 WeakPolarHBondContact CA-O 3.26Å; I316-Q328 WeakPolarHBondContact CG2-O 3.23Å; R317-Q328 HydrophobicContact CG-CB 4.06Å; R317-Q328 HydrophobicContact CG-CG 4.26Å; R317-Q328 PolarHBondContact N-O 2.96Å; R317-Q328 VanDerWaalsContact NH2-OE1 3.08Å; R317-Q328 PolarHBondContact O-N 3.37Å; P319-Q328 HydrophobicContact CG-CB 4.19Å |
| 329 | F | 96.3 | Very high | 88.8 | Confident | 8 Ų | 8 | 73.7 Ų | 73.7 | 4% | 0.035 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 135.5 | 164.8 | -70.9 | -77.8 | 0 | 0 | 0 | 109.5 | W250 L253 R254 L257 W269 G275 F277 I316 H331 | W250-F329 HydrophobicContact CB-CE1 4.28Å; L253-F329 HydrophobicContact CB-CZ 4.46Å; R254-F329 HydrophobicContact CB-CZ 4.17Å; L257-F329 HydrophobicContact CD1-CE2 3.9Å; W269-F329 AromaticContact CH2-CD2 3.87Å; W269-F329 HydrophobicContact CH2-CD2 3.87Å; W269-F329 AromaticContact CH2-CE2 3.95Å; W269-F329 HydrophobicContact CH2-CE2 3.95Å; W269-F329 AromaticContact CZ3-CD2 3.98Å; W269-F329 HydrophobicContact CZ3-CD2 3.98Å; W269-F329 HydrophobicContact CZ3-CE2 4.3Å; G275-F329 PolarHBondContact O-N 3.04Å; F277-F329 AromaticContact CD1-CD2 3.65Å; F277-F329 HydrophobicContact CD1-CD2 3.65Å; F277-F329 AromaticContact CD1-CE2 3.54Å; F277-F329 HydrophobicContact CD1-CE2 3.54Å; F277-F329 HydrophobicContact CD1-CZ 4.47Å; F277-F329 AromaticContact CE1-CD2 3.54Å; F277-F329 HydrophobicContact CE1-CD2 3.54Å; F277-F329 HydrophobicContact CE1-CE1 4.49Å; F277-F329 AromaticContact CE1-CE2 3.28Å; F277-F329 HydrophobicContact CE1-CE2 3.28Å; F277-F329 HydrophobicContact CE1-CG 4.26Å; F277-F329 AromaticContact CE1-CZ 3.82Å; F277-F329 HydrophobicContact CE1-CZ 3.82Å; F277-F329 HydrophobicContact CG-CE2 4.48Å; F277-F329 HydrophobicContact CZ-CE2 4.07Å; F277-F329 HydrophobicContact CZ-CZ 4.25Å; I316-F329 HydrophobicContact CD1-CD1 4.3Å; I316-F329 HydrophobicContact CD1-CE1 3.93Å; I316-F329 HydrophobicContact CD1-CZ 4.47Å; I316-F329 HydrophobicContact CG1-CD1 3.81Å; I316-F329 HydrophobicContact CG1-CE1 3.94Å; F329-H331 WeakPolarHBondContact CB-O 3.07Å |
| 330 | V | 91.4 | Very high | 88.5 | Confident | 46 Ų | 46 | 78.3 Ų | 78.3 | 28% | 0.279 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -70.8 | -36.8 | -177.2 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | G314 I315 R317 | G314-V330 WeakPolarHBondContact O-CB 3.27Å; G314-V330 VanDerWaalsContact O-CG2 3.31Å; G314-V330 WeakPolarHBondContact O-CG2 3.46Å; I315-V330 PolarHBondContact O-N 3.29Å; R317-V330 HydrophobicContact CB-CG2 3.98Å; R317-V330 HydrophobicContact CG-CG2 4.03Å |
| 331 | H | 83.4 | Confident | 88.5 | Confident | 145 Ų | 145 | 73.4 Ų | 73.4 | 67% | 0.671 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -103.5 | 121.9 | 167.3 | -56.2 | 97.6 | 0 | 0 | 0 | 107.5 | F329 | F329-H331 WeakPolarHBondContact CB-O 3.07Š|
| 332 | P | 68.2 | Low | 88.4 | Confident | 80 Ų | 80 | 71 Ų | 71 | 52% | 0.519 | 36% | 0.357 | S | S | . | . | trans | -68.7 | 170.6 | 179.4 | 28.8 | -34.4 | 0 | 0 | 0 | 112.6 | E273 | E273-P332 WeakPolarHBondContact O-CB 3.17Š| ||
| 333 | V | 57.1 | Low | 88.3 | Confident | 75 Ų | 75 | 70.5 Ų | 70.5 | 46% | 0.455 | 34% | 0.341 | S | S | . | . | trans | -135 | 0 | -167.5 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | R254 W269 K272 | R254-V333 HydrophobicContact CG-CG1 3.8Å; R254-V333 HydrophobicContact CG-CG2 4.12Å; W269-V333 HydrophobicContact CH2-CB 4.11Å; W269-V333 HydrophobicContact CH2-CG2 4.36Å; W269-V333 HydrophobicContact CZ2-CB 4.33Å; K272-V333 WeakPolarHBondContact CE-O 3.17Å; K272-V333 WeakPolarHBondContact CG-O 3.2Å |
Retrieved 333 of 333 residues in 108 ms
(Link to these results)