| 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 | 35 | Very low | 40 | Very low | 232 Ų | 232 | 152.5 Ų | 152.5 | 100% | 1.143 | 84% | 0.837 | S | S | * | * | 0 | 119.7 | 0 | -71.9 | -85.9 | -136.3 | 0 | 0 | 107.6 | |||||
| 2 | S | 36.8 | Very low | 39.6 | Very low | 108 Ų | 108 | 152.5 Ų | 152.5 | 76% | 0.755 | 84% | 0.835 | S | S | * | * | trans | 71.7 | 98.9 | 161.3 | -28.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 3 | L | 39.9 | Very low | 39.5 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | 76.2 | 121.6 | 70.1 | -68.4 | 177.9 | 0 | 0 | 0 | 115.6 | |||||
| 4 | L | 48.4 | Very low | 39.5 | Very low | 167 Ų | 167 | 149.2 Ų | 149.2 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | trans | 149.9 | 99.5 | 144.5 | -84.5 | 153.6 | 0 | 0 | 0 | 108.9 | ||||
| 5 | N | 39.5 | Very low | 40 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 74% | 0.743 | 82% | 0.821 | S | S | * | * | 65.1 | 128.7 | 70.8 | -77.5 | -4.2 | 0 | 0 | 0 | 117.5 | |||||
| 6 | N | 41.2 | Very low | 40.1 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | 117.9 | 105.4 | 158.3 | -70.3 | 15.6 | 0 | 0 | 0 | 113.6 | ||||
| 7 | E | 41.6 | Very low | 39.6 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | 83.5 | 111.6 | 53.6 | -166.4 | -179.5 | -172.7 | 0 | 0 | 113.3 | |||||
| 8 | M | 39.8 | Very low | 39.8 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 82% | 0.823 | 81% | 0.805 | S | S | * | * | trans | 162.9 | 135.8 | 147.6 | -128.7 | 95.3 | 77.4 | 0 | 0 | 106.8 | ||||
| 9 | L | 42.9 | Very low | 39.8 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | cis | -148.7 | 130.3 | 23.6 | -104.4 | 107.1 | 0 | 0 | 0 | 107 | ||||
| 10 | L | 39.1 | Very low | 40.3 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | 77.5 | 105.3 | 92.8 | -152.7 | 77.5 | 0 | 0 | 0 | 113.8 | |||||
| 11 | G | 35.5 | Very low | 40.1 | Very low | 83 Ų | 83 | 142.1 Ų | 142.1 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -174.1 | 55.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 12 | D | 34.9 | Very low | 40.1 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -79.4 | 134.1 | 178.3 | -157.8 | 8.7 | 0 | 0 | 0 | 109.4 | ||||
| 13 | S | 39.2 | Very low | 40 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | 164 | 111.8 | 130.1 | 67.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 14 | L | 39 | Very low | 40 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | 89.4 | 81.1 | 138.9 | -56.2 | 166.9 | 0 | 0 | 0 | 119.6 | ||||
| 15 | S | 46.5 | Very low | 39.7 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -86.2 | 141.6 | 134.6 | 171.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 16 | P | 42.1 | Very low | 39.7 | Very low | 97 Ų | 97 | 134.9 Ų | 134.9 | 63% | 0.63 | 77% | 0.773 | S | S | * | * | trans | -145.1 | 121.5 | 130.3 | 34.3 | -17.7 | 0 | 0 | 0 | 111.9 | ||||
| 17 | F | 31.4 | Very low | 39.8 | Very low | 189 Ų | 189 | 134.2 Ų | 134.2 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | 171.3 | 112 | 115.3 | -110.2 | -90.2 | 0 | 0 | 0 | 109.5 | |||||
| 18 | S | 43.9 | Very low | 40.1 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -119.2 | 141.3 | 155.3 | 31.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 19 | Q | 39 | Very low | 40.1 | Very low | 171 Ų | 171 | 129.5 Ų | 129.5 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | 78.1 | 165.5 | 159.4 | -77.1 | -176.8 | -33.7 | 0 | 0 | 119.2 | ||||
| 20 | P | 50.3 | Low | 40.4 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | cis | -141.7 | -178.3 | -21.8 | 29.8 | -6.8 | 0 | 0 | 0 | 115.8 | ||||
| 21 | C | 36.4 | Very low | 40.6 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -13.6 | 135.2 | 150.4 | -173.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 22 | S | 35.2 | Very low | 40.8 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | 164.7 | 122.3 | 131.7 | 35.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 23 | V | 34.3 | Very low | 41.2 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | 64.8 | 106.8 | 89.9 | 176.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 24 | A | 40.6 | Very low | 41.3 | Very low | 87 Ų | 87 | 137.9 Ų | 137.9 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | trans | -176.5 | 113.5 | 142.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 25 | E | 40.3 | Very low | 42 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | 53.9 | 133.9 | 79 | -63.7 | -163.8 | -179.6 | 0 | 0 | 111.4 | |||||
| 26 | E | 40.2 | Very low | 42.2 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | cis | 179.9 | 128.3 | 0.6 | 176.1 | -175.6 | -157.7 | 0 | 0 | 102.5 | ||||
| 27 | S | 43.6 | Very low | 42.1 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -174.9 | 129.9 | 145.6 | -102.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 28 | L | 47.8 | Very low | 42.4 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -78 | 147.9 | -170.5 | -60.3 | 157.4 | 0 | 0 | 0 | 111.5 | ||||
| 29 | G | 39.7 | Very low | 42.5 | Very low | 74 Ų | 74 | 139.4 Ų | 139.4 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | 179.9 | 73 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 30 | L | 49.7 | Very low | 42.5 | Very low | 166 Ų | 166 | 136.7 Ų | 136.7 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | 51.1 | 94.6 | 138.1 | -147.2 | 91.7 | 0 | 0 | 0 | 118.5 | ||||
| 31 | L | 42.6 | Very low | 41.9 | Very low | 183 Ų | 183 | 139.3 Ų | 139.3 | 96% | 0.958 | 79% | 0.792 | S | S | * | * | trans | -148.1 | 71.2 | 145.3 | -143.7 | 73.8 | 0 | 0 | 0 | 109.3 | ||||
| 32 | D | 40 | Very low | 42.1 | Very low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | -90.9 | 113.1 | 160.3 | -171.6 | 36.6 | 0 | 0 | 0 | 105.9 | ||||
| 33 | D | 43.3 | Very low | 42.3 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | trans | 170.5 | 138.7 | 148.2 | -102.5 | -16.6 | 0 | 0 | 0 | 111.2 | ||||
| 34 | Y | 42.3 | Very low | 42.6 | Very low | 187 Ų | 187 | 140.8 Ų | 140.8 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | 82.2 | 63.3 | 171.6 | -68.8 | -83 | 0 | 0 | 0 | 119 | E36 | Y34-E36 HydrophobicContact CD1-CB 4.26Å; Y34-E36 WeakPolarHBondContact CE1-OE2 3.45Å | ||
| 35 | L | 53.6 | Low | 42.4 | Very low | 181 Ų | 181 | 139.6 Ų | 139.6 | 95% | 0.948 | 79% | 0.788 | S | S | * | * | trans | -111 | 71.6 | 139.2 | -122.9 | 152.9 | 0 | 0 | 0 | 107.4 | ||||
| 36 | E | 50.2 | Low | 42.2 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | trans | -88.2 | 112.7 | 179.3 | -165.3 | 166.6 | -164.4 | 0 | 0 | 110.4 | Y34 A38 | Y34-E36 HydrophobicContact CD1-CB 4.26Å; Y34-E36 WeakPolarHBondContact CE1-OE2 3.45Å; E36-A38 PolarHBondContact O-N 3.27Å | ||
| 37 | V | 40.8 | Very low | 42.4 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 65% | 0.648 | 79% | 0.794 | S | S | * | * | trans | -46.6 | 114.4 | 163.2 | 172.7 | 0 | 0 | 0 | 0 | 109.5 | E39 | V37-E39 VanDerWaalsContact C-N 3.32Å; V37-E39 HydrophobicContact CG1-CG 4.47Å; V37-E39 PolarHBondContact O-N 3.22Å | ||
| 38 | A | 37 | Very low | 42.2 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -72.3 | 90.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | E36 | E36-A38 PolarHBondContact O-N 3.27Š| ||
| 39 | E | 46.5 | Very low | 41.9 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | -59.8 | 147.2 | 161.4 | -77.5 | -72.9 | 150.9 | 0 | 0 | 110.7 | V37 L41 | V37-E39 VanDerWaalsContact C-N 3.32Å; V37-E39 HydrophobicContact CG1-CG 4.47Å; V37-E39 PolarHBondContact O-N 3.22Å; E39-L41 PolarHBondContact O-N 3.45Å | ||
| 40 | P | 38.4 | Very low | 42.1 | Very low | 114 Ų | 114 | 142.8 Ų | 142.8 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | trans | -74.5 | 112.4 | -176.6 | 29.6 | -30 | 0 | 0 | 0 | 110.4 | S42 | P40-S42 PolarHBondContact O-N 3.19Š| ||
| 41 | L | 36.6 | Very low | 41.9 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | trans | -67.2 | 102.8 | 171.3 | -73.5 | 169.5 | 0 | 0 | 0 | 110.6 | E39 S43 | E39-L41 PolarHBondContact O-N 3.45Å; L41-S43 PolarHBondContact O-N 3.47Å | ||
| 42 | S | 42.2 | Very low | 41.9 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | 22.3 | 97.4 | 124.9 | -178.3 | 0 | 0 | 0 | 0 | 115 | P40 H44 | P40-S42 PolarHBondContact O-N 3.19Å; S42-H44 PolarHBondContact O-N 3.47Å | |||
| 43 | S | 39 | Very low | 41.8 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -72.7 | 95.2 | 170.3 | 57.8 | 0 | 0 | 0 | 0 | 110.2 | L41 G45 | L41-S43 PolarHBondContact O-N 3.47Å; S43-G45 PolarHBondContact O-N 3Å | ||
| 44 | H | 41.2 | Very low | 41.7 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | -70.9 | 106.9 | 165.4 | -174.1 | -70.6 | 0 | 0 | 0 | 108.9 | S42 F46 | S42-H44 PolarHBondContact O-N 3.47Å; H44-F46 PolarHBondContact O-N 3.45Å | ||
| 45 | G | 35 | Very low | 41.6 | Very low | 62 Ų | 62 | 133.1 Ų | 133.1 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | trans | -59 | 126.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S43 | S43-G45 PolarHBondContact O-N 3Š| ||
| 46 | F | 37.2 | Very low | 41.1 | Very low | 196 Ų | 196 | 129.4 Ų | 129.4 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -90.7 | 113.3 | 154.9 | -84 | -79.8 | 0 | 0 | 0 | 108.6 | H44 S48 | H44-F46 PolarHBondContact O-N 3.45Å; F46-S48 PolarHBondContact O-N 3.46Å | ||
| 47 | S | 44.2 | Very low | 40.8 | Very low | 115 Ų | 115 | 128 Ų | 128 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -55.8 | 120.5 | 166.4 | 178 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 48 | S | 39.7 | Very low | 40.9 | Very low | 120 Ų | 120 | 133 Ų | 133 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | trans | -136.7 | 121.7 | 151.4 | -172.4 | 0 | 0 | 0 | 0 | 108.4 | F46 | F46-S48 PolarHBondContact O-N 3.46Š| ||
| 49 | E | 39.8 | Very low | 41.3 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -77.2 | 148.2 | -168.7 | -153.1 | 176.1 | 132.2 | 0 | 0 | 111 | ||||
| 50 | K | 44.1 | Very low | 41.2 | Very low | 184 Ų | 184 | 133.4 Ų | 133.4 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | 88.1 | 82.7 | 160.3 | -49.7 | -168.2 | -178.7 | -178 | 0 | 118.3 | ||||
| 51 | A | 47.1 | Very low | 41.4 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | -152.8 | 135.7 | 119.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 52 | K | 41.3 | Very low | 42.1 | Very low | 203 Ų | 203 | 134 Ų | 134 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -103.9 | 132.7 | -161.7 | -178 | 178.1 | -179.8 | 178.4 | 0 | 109.6 | ||||
| 53 | A | 39 | Very low | 42.3 | Very low | 88 Ų | 88 | 134.2 Ų | 134.2 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 69.7 | 130.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 54 | V | 41.1 | Very low | 42.5 | Very low | 133 Ų | 133 | 137.1 Ų | 137.1 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | -160.3 | 130.8 | 51.6 | 163 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 55 | S | 38.9 | Very low | 42.4 | Very low | 78 Ų | 78 | 132.8 Ų | 132.8 | 55% | 0.545 | 77% | 0.772 | S | S | . | * | trans | 42.7 | 103.6 | 142 | -162.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 56 | S | 43.7 | Very low | 42.8 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | 51.2 | 103.7 | 78.2 | 71.2 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 57 | N | 44.5 | Very low | 43.2 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | trans | -172.4 | 121.6 | 146.2 | 10.7 | 26.5 | 0 | 0 | 0 | 115.5 | ||||
| 58 | W | 42.8 | Very low | 43.2 | Very low | 213 Ų | 213 | 134.7 Ų | 134.7 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | trans | 71.8 | 99 | 141.2 | -47.8 | 120.9 | 0 | 0 | 0 | 118.3 | ||||
| 59 | L | 44.9 | Very low | 43.5 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | 65.8 | 107.5 | 101.9 | -69.6 | -176.6 | 0 | 0 | 0 | 113.1 | |||||
| 60 | T | 44.2 | Very low | 44 | Very low | 120 Ų | 120 | 133 Ų | 133 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | 89.3 | 104.9 | 97 | -59.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 61 | V | 43.7 | Very low | 44.6 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | trans | -156 | 103.9 | 139.5 | 130.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 62 | D | 50.8 | Low | 45.2 | Very low | 161 Ų | 161 | 131.8 Ų | 131.8 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | trans | -91.6 | 113.1 | 149.4 | -77.4 | -40.7 | 0 | 0 | 0 | 105.7 | ||||
| 63 | S | 45.8 | Very low | 46.3 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | 177.5 | 121.3 | 145.7 | -88.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 64 | L | 43.8 | Very low | 48 | Very low | 181 Ų | 181 | 131.1 Ų | 131.1 | 95% | 0.948 | 74% | 0.742 | S | S | * | * | trans | 89 | 118.8 | 132 | -162.4 | 65.7 | 0 | 0 | 0 | 118.7 | ||||
| 65 | G | 38.4 | Very low | 49.6 | Very low | 64 Ų | 64 | 129.3 Ų | 129.3 | 66% | 0.66 | 74% | 0.741 | S | S | * | * | trans | 111.4 | 64.7 | 147 | 0 | 0 | 0 | 0 | 0 | 116.3 | T67 | G65-T67 VanDerWaalsContact C-N 3.32Å; G65-T67 PolarHBondContact O-N 3.49Å | ||
| 66 | N | 43.6 | Very low | 50.7 | Low | 152 Ų | 152 | 132 Ų | 132 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | trans | -76.9 | 85 | 164.6 | -122.6 | 46 | 0 | 0 | 0 | 109.6 | ||||
| 67 | T | 45.9 | Very low | 51.9 | Low | 134 Ų | 134 | 130.7 Ų | 130.7 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | trans | -115.7 | 80.7 | 149.4 | 49.7 | 0 | 0 | 0 | 0 | 106.4 | G65 D69 | G65-T67 VanDerWaalsContact C-N 3.32Å; G65-T67 PolarHBondContact O-N 3.49Å; T67-D69 PolarHBondContact O-N 3.45Å; T67-D69 VanDerWaalsContact O-N 3.16Å | ||
| 68 | I | 44.6 | Very low | 53.4 | Low | 127 Ų | 127 | 127.5 Ų | 127.5 | 65% | 0.651 | 73% | 0.73 | S | S | * | * | trans | -72.5 | 102.1 | 163.5 | -64.9 | 169.1 | 0 | 0 | 0 | 104.6 | S70 | I68-S70 VanDerWaalsContact C-N 3.29Å; I68-S70 PolarHBondContact O-N 3.38Å | ||
| 69 | D | 45.6 | Very low | 54.8 | Low | 139 Ų | 139 | 121.1 Ų | 121.1 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | trans | -57 | 100.5 | 156.8 | -177.8 | 22.8 | 0 | 0 | 0 | 106.2 | T67 S71 | T67-D69 PolarHBondContact O-N 3.45Å; T67-D69 VanDerWaalsContact O-N 3.16Å; D69-S71 PolarHBondContact O-N 2.96Å | ||
| 70 | S | 51.1 | Low | 56 | Low | 96 Ų | 96 | 121.7 Ų | 121.7 | 67% | 0.671 | 71% | 0.71 | S | S | * | * | trans | -75.2 | 74.1 | 176.5 | 61.7 | 0 | 0 | 0 | 0 | 108.2 | I68 Q72 | I68-S70 VanDerWaalsContact C-N 3.29Å; I68-S70 PolarHBondContact O-N 3.38Å; S70-Q72 PolarHBondContact O-N 3.38Å | ||
| 71 | S | 56.2 | Low | 57.5 | Low | 94 Ų | 94 | 124.4 Ų | 124.4 | 66% | 0.657 | 71% | 0.707 | S | S | * | * | trans | -72.3 | 57.2 | 157.2 | 56.6 | 0 | 0 | 0 | 0 | 109.2 | D69 E73 | D69-S71 PolarHBondContact O-N 2.96Å; S71-E73 PolarHBondContact O-N 2.9Å; S71-E73 VanDerWaalsContact O-N 3.1Å | ||
| 72 | Q | 58.5 | Low | 58.8 | Low | 175 Ų | 175 | 123.8 Ų | 123.8 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | trans | -81.3 | 83.6 | 161.4 | -170.8 | 172.3 | 8.5 | 0 | 0 | 105.7 | S70 D74 | S70-Q72 PolarHBondContact O-N 3.38Å; Q72-D74 VanDerWaalsContact C-N 3.34Å; Q72-D74 PolarHBondContact O-N 3.26Å | ||
| 73 | E | 65.4 | Low | 59.7 | Low | 174 Ų | 174 | 121.4 Ų | 121.4 | 81% | 0.813 | 69% | 0.687 | S | S | * | * | trans | -53.7 | 100.9 | 165.9 | 57.7 | -158.2 | -173.8 | 0 | 0 | 108.3 | S71 A75 | S71-E73 PolarHBondContact O-N 2.9Å; S71-E73 VanDerWaalsContact O-N 3.1Å; E73-A75 PolarHBondContact O-N 3.46Å | ||
| 74 | D | 75.1 | Confident | 61 | Low | 102 Ų | 102 | 123 Ų | 123 | 55% | 0.545 | 68% | 0.682 | S | S | . | * | trans | -57.9 | 130.7 | 175.5 | -179.8 | 23.2 | 0 | 0 | 0 | 108.1 | Q72 F76 S77 | Q72-D74 VanDerWaalsContact C-N 3.34Å; Q72-D74 PolarHBondContact O-N 3.26Å; D74-F76 PolarHBondContact O-N 2.97Å; D74-S77 WeakPolarHBondContact O-CB 2.91Å; D74-S77 PolarHBondContact O-N 3.37Å | ||
| 75 | A | 74.4 | Confident | 62.3 | Low | 95 Ų | 95 | 123.4 Ų | 123.4 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -10.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | E73 | E73-A75 PolarHBondContact O-N 3.46Š|
| 76 | F | 61.4 | Low | 63.9 | Low | 136 Ų | 136 | 127.2 Ų | 127.2 | 60% | 0.596 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -1.5 | 177.1 | -64.8 | -89.7 | 0 | 0 | 0 | 114 | D74 G78 M79 | D74-F76 PolarHBondContact O-N 2.97Å; F76-G78 PolarHBondContact O-N 3.43Å; F76-G78 VanDerWaalsContact O-N 3.08Å; F76-M79 HydrophobicContact CD1-CE 3.38Å; F76-M79 HydrophobicContact CE1-CE 3.84Å; F76-M79 HydrophobicContact CG-CE 4.44Å; F76-M79 WeakPolarHBondContact O-CB 3.34Å; F76-M79 PolarHBondContact O-N 3.46Å |
| 77 | S | 69.6 | Low | 65 | Low | 75 Ų | 75 | 123.7 Ų | 123.7 | 52% | 0.524 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.9 | -14.9 | 177.6 | -173 | 0 | 0 | 0 | 0 | 113.5 | D74 | D74-S77 WeakPolarHBondContact O-CB 2.91Å; D74-S77 PolarHBondContact O-N 3.37Å |
| 78 | G | 74.8 | Confident | 66.1 | Low | 56 Ų | 56 | 122.7 Ų | 122.7 | 58% | 0.577 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 9.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | F76 W81 | F76-G78 PolarHBondContact O-N 3.43Å; F76-G78 VanDerWaalsContact O-N 3.08Å; G78-W81 PolarHBondContact O-NE1 2.84Å |
| 79 | M | 73.9 | Confident | 67.2 | Low | 79 Ų | 79 | 124.3 Ų | 124.3 | 39% | 0.389 | 65% | 0.651 | S | S | . | * | trans | -103.2 | 0.8 | -177.5 | -139.1 | 98.4 | 67.9 | 0 | 0 | 113.5 | F76 W81 M82 | F76-M79 HydrophobicContact CD1-CE 3.38Å; F76-M79 HydrophobicContact CE1-CE 3.84Å; F76-M79 HydrophobicContact CG-CE 4.44Å; F76-M79 WeakPolarHBondContact O-CB 3.34Å; F76-M79 PolarHBondContact O-N 3.46Å; M79-W81 PolarHBondContact O-N 3.05Å; M79-M82 HydrophobicContact CG-CB 4.37Å; M79-M82 HydrophobicContact CG-CG 4.25Å; M79-M82 HydrophobicContact CG-SD 3.67Å; M79-M82 WeakPolarHBondContact O-CB 3.31Å; M79-M82 PolarHBondContact O-N 3.43Å; M79-M82 HydrophobicContact SD-SD 3.87Å | ||
| 80 | E | 68.3 | Low | 68.2 | Low | 152 Ų | 152 | 125.5 Ų | 125.5 | 71% | 0.71 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -62.2 | -29.3 | -178.2 | 61.3 | -179.5 | -177.3 | 0 | 0 | 113.1 | M82 V83 | E80-M82 PolarHBondContact O-N 3.29Å; E80-V83 WeakPolarHBondContact O-CB 3.43Å; E80-V83 PolarHBondContact O-N 2.93Å |
| 81 | W | 76.4 | Confident | 69 | Low | 177 Ų | 177 | 127.5 Ų | 127.5 | 67% | 0.67 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -64.5 | -22.6 | 173.3 | 69.6 | -91.4 | 0 | 0 | 0 | 113.4 | G78 M79 V83 | G78-W81 PolarHBondContact O-NE1 2.84Å; M79-W81 PolarHBondContact O-N 3.05Å; W81-V83 VanDerWaalsContact C-N 3.28Å |
| 82 | M | 71.9 | Confident | 69.7 | Low | 120 Ų | 120 | 127.7 Ų | 127.7 | 59% | 0.591 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -79.7 | -13.7 | 174.8 | -69.1 | -176.7 | 49.6 | 0 | 0 | 112.8 | M79 E80 | M79-M82 HydrophobicContact CG-CB 4.37Å; M79-M82 HydrophobicContact CG-CG 4.25Å; M79-M82 HydrophobicContact CG-SD 3.67Å; M79-M82 WeakPolarHBondContact O-CB 3.31Å; M79-M82 PolarHBondContact O-N 3.43Å; M79-M82 HydrophobicContact SD-SD 3.87Å; E80-M82 PolarHBondContact O-N 3.29Å |
| 83 | V | 68.5 | Low | 70.4 | Confident | 111 Ų | 111 | 124.5 Ų | 124.5 | 67% | 0.673 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -9.4 | -179.3 | -173.6 | 0 | 0 | 0 | 0 | 111 | E80 W81 K85 | E80-V83 WeakPolarHBondContact O-CB 3.43Å; E80-V83 PolarHBondContact O-N 2.93Å; W81-V83 VanDerWaalsContact C-N 3.28Å; V83-K85 PolarHBondContact O-N 3.43Å |
| 84 | E | 74.1 | Confident | 70.5 | Confident | 144 Ų | 144 | 121.5 Ų | 121.5 | 67% | 0.673 | 62% | 0.616 | S | S | * | * | trans | -60.2 | 106.7 | 174.4 | -166 | 171.7 | -173.7 | 0 | 0 | 110.1 | M86 | E84-M86 PolarHBondContact O-N 3.36Š| ||
| 85 | K | 70 | Confident | 70.2 | Confident | 190 Ų | 190 | 120.1 Ų | 120.1 | 83% | 0.826 | 62% | 0.619 | S | S | * | * | trans | -66.9 | 101.7 | 175.5 | -70.6 | -75.4 | -174.4 | 177.3 | 0 | 107.1 | V83 D87 | V83-K85 PolarHBondContact O-N 3.43Å; K85-D87 PolarHBondContact O-N 3.38Å | ||
| 86 | M | 72.8 | Confident | 69.9 | Low | 143 Ų | 143 | 122.1 Ų | 122.1 | 70% | 0.704 | 62% | 0.616 | S | S | * | * | trans | -52.1 | 113.4 | 166.9 | -69.7 | -104.7 | 87.6 | 0 | 0 | 108.2 | E84 L88 | E84-M86 PolarHBondContact O-N 3.36Å; M86-L88 PolarHBondContact O-N 3.27Å | ||
| 87 | D | 67.4 | Low | 70 | Confident | 78 Ų | 78 | 121 Ų | 121 | 42% | 0.417 | 62% | 0.615 | S | S | . | * | trans | -80.2 | 92.1 | -179.1 | -150 | -24.4 | 0 | 0 | 0 | 108.8 | K85 K89 E90 | K85-D87 PolarHBondContact O-N 3.38Å; D87-K89 VanDerWaalsContact CG-CE 3.42Å; D87-K89 VanDerWaalsContact CG-NZ 3.33Å; D87-K89 PolarHBondContact O-N 3.37Å; D87-K89 WeakPolarHBondContact OD1-CD 3.3Å; D87-K89 WeakPolarHBondContact OD1-CE 3.43Å; D87-K89 WeakPolarHBondContact OD1-CG 3.4Å; D87-K89 IonicContact OD1-NZ 2.54Å; D87-K89 PolarHBondContact OD1-NZ 2.91Å; D87-K89 WeakPolarHBondContact OD2-CE 3.18Å; D87-K89 IonicContact OD2-NZ 2.83Å; D87-K89 PolarHBondContact OD2-NZ 3.12Å; D87-E90 PolarHBondContact O-N 2.93Å; D87-E90 VanDerWaalsContact O-N 3.16Å | ||
| 88 | L | 68.3 | Low | 69.6 | Low | 114 Ų | 114 | 119.7 Ų | 119.7 | 60% | 0.597 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -63.5 | -6.3 | -176.1 | -65.4 | 171 | 0 | 0 | 0 | 113.2 | M86 E90 F91 | M86-L88 PolarHBondContact O-N 3.27Å; L88-E90 VanDerWaalsContact C-N 3.29Å; L88-F91 PolarHBondContact O-N 2.91Å |
| 89 | K | 66.9 | Low | 68.9 | Low | 160 Ų | 160 | 121.1 Ų | 121.1 | 70% | 0.696 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -73.8 | -18.1 | 174.8 | 79.3 | -167.1 | 180 | -141.2 | 0 | 113.7 | D87 | D87-K89 VanDerWaalsContact CG-CE 3.42Å; D87-K89 VanDerWaalsContact CG-NZ 3.33Å; D87-K89 PolarHBondContact O-N 3.37Å; D87-K89 WeakPolarHBondContact OD1-CD 3.3Å; D87-K89 WeakPolarHBondContact OD1-CE 3.43Å; D87-K89 WeakPolarHBondContact OD1-CG 3.4Å; D87-K89 IonicContact OD1-NZ 2.54Å; D87-K89 PolarHBondContact OD1-NZ 2.91Å; D87-K89 WeakPolarHBondContact OD2-CE 3.18Å; D87-K89 IonicContact OD2-NZ 2.83Å; D87-K89 PolarHBondContact OD2-NZ 3.12Å |
| 90 | E | 66.2 | Low | 68.2 | Low | 165 Ų | 165 | 126.2 Ų | 126.2 | 77% | 0.771 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -88.5 | -9.8 | 173 | -82.7 | 172.7 | 177.1 | 0 | 0 | 112.7 | D87 L88 D92 | D87-E90 PolarHBondContact O-N 2.93Å; D87-E90 VanDerWaalsContact O-N 3.16Å; L88-E90 VanDerWaalsContact C-N 3.29Å; E90-D92 PolarHBondContact O-N 2.99Å |
| 91 | F | 68.1 | Low | 67.6 | Low | 137 Ų | 137 | 125.1 Ų | 125.1 | 60% | 0.601 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -84.5 | 98 | 167.5 | -92.4 | -90.3 | 0 | 0 | 0 | 109.3 | L88 F93 | L88-F91 PolarHBondContact O-N 2.91Å; F91-F93 HydrophobicContact CB-CD2 4.37Å; F91-F93 HydrophobicContact CB-CE2 3.84Å; F91-F93 HydrophobicContact CB-CZ 4.15Å; F91-F93 WeakPolarHBondContact O-CD2 3.37Å; F91-F93 PolarHBondContact O-N 3.09Å; F91-F93 VanDerWaalsContact O-N 3.08Å |
| 92 | D | 71.3 | Confident | 66.7 | Low | 99 Ų | 99 | 121.2 Ų | 121.2 | 53% | 0.529 | 62% | 0.621 | S | S | . | * | trans | -70.6 | 97.5 | 169.2 | -175 | -7.6 | 0 | 0 | 0 | 109.6 | E90 D94 A95 | E90-D92 PolarHBondContact O-N 2.99Å; D92-D94 WeakPolarHBondContact OD1-CA 3.36Å; D92-D94 WeakPolarHBondContact OD1-CB 3.46Å; D92-D94 PolarHBondContact OD1-N 2.95Å; D92-A95 HydrophobicContact CB-CB 4.31Å; D92-A95 PolarHBondContact OD1-N 2.86Å; D92-A95 VanDerWaalsContact OD1-N 3.1Å | ||
| 93 | F | 74.6 | Confident | 66 | Low | 107 Ų | 107 | 123.1 Ų | 123.1 | 47% | 0.469 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -72.8 | -20 | 176.6 | -71.3 | -83.4 | 0 | 0 | 0 | 112.3 | F91 L96 L97 | F91-F93 HydrophobicContact CB-CD2 4.37Å; F91-F93 HydrophobicContact CB-CE2 3.84Å; F91-F93 HydrophobicContact CB-CZ 4.15Å; F91-F93 WeakPolarHBondContact O-CD2 3.37Å; F91-F93 PolarHBondContact O-N 3.09Å; F91-F93 VanDerWaalsContact O-N 3.08Å; F93-L96 PolarHBondContact O-N 3.25Å; F93-L97 PolarHBondContact O-N 2.86Å; F93-L97 VanDerWaalsContact O-N 3.1Å |
| 94 | D | 67.3 | Low | 65.5 | Low | 111 Ų | 111 | 121.9 Ų | 121.9 | 59% | 0.594 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -75 | -39.6 | -177.7 | -59.6 | -34.2 | 0 | 0 | 0 | 110.2 | D92 L96 G98 | D92-D94 WeakPolarHBondContact OD1-CA 3.36Å; D92-D94 WeakPolarHBondContact OD1-CB 3.46Å; D92-D94 PolarHBondContact OD1-N 2.95Å; D94-L96 VanDerWaalsContact C-N 3.32Å; D94-L96 PolarHBondContact O-N 3.36Å; D94-G98 PolarHBondContact O-N 3.39Å |
| 95 | A | 68.8 | Low | 64.7 | Low | 74 Ų | 74 | 119.8 Ų | 119.8 | 61% | 0.612 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.8 | -31.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D92 | D92-A95 HydrophobicContact CB-CB 4.31Å; D92-A95 PolarHBondContact OD1-N 2.86Å; D92-A95 VanDerWaalsContact OD1-N 3.1Å |
| 96 | L | 67.4 | Low | 64.3 | Low | 136 Ų | 136 | 113 Ų | 113 | 71% | 0.712 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -74.6 | -38.7 | 179.4 | -179.7 | 63.5 | 0 | 0 | 0 | 112.4 | F93 D94 G98 | F93-L96 PolarHBondContact O-N 3.25Å; D94-L96 VanDerWaalsContact C-N 3.32Å; D94-L96 PolarHBondContact O-N 3.36Å; L96-G98 VanDerWaalsContact C-N 3.34Å |
| 97 | L | 63.6 | Low | 64.3 | Low | 112 Ų | 112 | 108.7 Ų | 108.7 | 59% | 0.586 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -85.5 | -10.1 | 179.5 | -72.2 | 160.7 | 0 | 0 | 0 | 112.5 | F93 M99 | F93-L97 PolarHBondContact O-N 2.86Å; F93-L97 VanDerWaalsContact O-N 3.1Å; L97-M99 HydrophobicContact CB-CE 4.13Å; L97-M99 HydrophobicContact CB-CG 3.42Å; L97-M99 VanDerWaalsContact CB-CG 3.42Å; L97-M99 HydrophobicContact CB-SD 3.76Å; L97-M99 HydrophobicContact CD1-CE 3.95Å; L97-M99 HydrophobicContact CD1-SD 3.97Å; L97-M99 HydrophobicContact CG-SD 4.39Å; L97-M99 PolarHBondContact O-N 2.95Å; L97-M99 VanDerWaalsContact O-N 3.09Å |
| 98 | G | 60.5 | Low | 64.4 | Low | 49 Ų | 49 | 109.1 Ų | 109.1 | 51% | 0.505 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 53.1 | 34.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D94 L96 E100 | D94-G98 PolarHBondContact O-N 3.39Å; L96-G98 VanDerWaalsContact C-N 3.34Å; G98-E100 PolarHBondContact O-N 3Å |
| 99 | M | 60.2 | Low | 64.6 | Low | 86 Ų | 86 | 109.9 Ų | 109.9 | 42% | 0.424 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -79.2 | -9 | -172.4 | -54.1 | -171.4 | -62.5 | 0 | 0 | 112.5 | L97 D101 L102 E103 | L97-M99 HydrophobicContact CB-CE 4.13Å; L97-M99 HydrophobicContact CB-CG 3.42Å; L97-M99 VanDerWaalsContact CB-CG 3.42Å; L97-M99 HydrophobicContact CB-SD 3.76Å; L97-M99 HydrophobicContact CD1-CE 3.95Å; L97-M99 HydrophobicContact CD1-SD 3.97Å; L97-M99 HydrophobicContact CG-SD 4.39Å; L97-M99 PolarHBondContact O-N 2.95Å; L97-M99 VanDerWaalsContact O-N 3.09Å; M99-D101 PolarHBondContact O-N 3.12Å; M99-L102 PolarHBondContact O-N 3.39Å; M99-E103 PolarHBondContact O-N 3.11Å |
| 100 | E | 59.3 | Low | 65 | Low | 186 Ų | 186 | 107.9 Ų | 107.9 | 87% | 0.869 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -60.9 | -25.8 | -179.6 | -167.4 | 166.5 | -159.8 | 0 | 0 | 112.8 | G98 | G98-E100 PolarHBondContact O-N 3Š|
| 101 | D | 56.1 | Low | 65.5 | Low | 129 Ų | 129 | 104.1 Ų | 104.1 | 69% | 0.69 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -96.9 | -13 | 177.5 | -149.9 | 25.8 | 0 | 0 | 0 | 113.2 | M99 T105 | M99-D101 PolarHBondContact O-N 3.12Å; D101-T105 PolarHBondContact O-OG1 3.25Å |
| 102 | L | 56.7 | Low | 65.9 | Low | 95 Ų | 95 | 103 Ų | 103 | 50% | 0.497 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.8 | -31.6 | -179.5 | -156.3 | 75.1 | 0 | 0 | 0 | 111.9 | M99 A104 T105 V106 | M99-L102 PolarHBondContact O-N 3.39Å; L102-A104 PolarHBondContact O-N 3.23Å; L102-T105 PolarHBondContact O-N 3Å; L102-V106 PolarHBondContact O-N 3.35Å |
| 103 | E | 57.4 | Low | 66 | Low | 159 Ų | 159 | 100.8 Ų | 100.8 | 74% | 0.743 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -24.8 | 176.1 | -168.1 | 172.9 | -166.6 | 0 | 0 | 112.5 | M99 | M99-E103 PolarHBondContact O-N 3.11Š|
| 104 | A | 58.2 | Low | 66 | Low | 85 Ų | 85 | 99.2 Ų | 99.2 | 70% | 0.702 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -19.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L102 | L102-A104 PolarHBondContact O-N 3.23Š|
| 105 | T | 57.5 | Low | 66.3 | Low | 101 Ų | 101 | 99 Ų | 99 | 62% | 0.62 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | -19.3 | -172.7 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | D101 L102 | D101-T105 PolarHBondContact O-OG1 3.25Å; L102-T105 PolarHBondContact O-N 3Å |
| 106 | V | 62.2 | Low | 66.5 | Low | 46 Ų | 46 | 101.7 Ų | 101.7 | 28% | 0.279 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -136.7 | 114.7 | -179 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | L102 L111 | L102-V106 PolarHBondContact O-N 3.35Å; V106-L111 HydrophobicContact CB-CD1 4.48Å; V106-L111 HydrophobicContact CG1-CB 4.46Å; V106-L111 HydrophobicContact CG1-CD1 3.58Å; V106-L111 HydrophobicContact CG1-CD2 4.38Å; V106-L111 HydrophobicContact CG1-CG 3.47Å; V106-L111 VanDerWaalsContact CG1-CG 3.47Å |
| 107 | S | 71.6 | Confident | 66.7 | Low | 54 Ų | 54 | 100.1 Ų | 100.1 | 38% | 0.378 | 56% | 0.558 | S | S | . | * | trans | -63.3 | 137.6 | 174.7 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | D109 E110 L111 | S107-D109 PolarHBondContact O-N 3.07Å; S107-D109 VanDerWaalsContact O-N 3.12Å; S107-D109 PolarHBondContact OG-N 3.19Å; S107-E110 WeakPolarHBondContact O-CB 3.42Å; S107-E110 PolarHBondContact O-N 3.02Å; S107-L111 PolarHBondContact O-N 3.26Å | ||
| 108 | P | 70.6 | Confident | 67 | Low | 86 Ų | 86 | 98.5 Ų | 98.5 | 56% | 0.558 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -52.8 | -33.5 | 174.6 | -26.1 | 34 | 0 | 0 | 0 | 113.3 | E110 M112 | P108-E110 VanDerWaalsContact C-N 3.35Å; P108-M112 WeakPolarHBondContact O-CG 3.49Å; P108-M112 PolarHBondContact O-N 3.2Å; P108-M112 VanDerWaalsContact O-N 3.11Å |
| 109 | D | 72.4 | Confident | 67 | Low | 130 Ų | 130 | 98.3 Ų | 98.3 | 70% | 0.695 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -70.9 | -29.6 | 178.6 | -64.9 | -32.6 | 0 | 0 | 0 | 112.6 | S107 A113 | S107-D109 PolarHBondContact O-N 3.07Å; S107-D109 VanDerWaalsContact O-N 3.12Å; S107-D109 PolarHBondContact OG-N 3.19Å; D109-A113 WeakPolarHBondContact O-CB 3.47Å; D109-A113 PolarHBondContact O-N 3.25Å |
| 110 | E | 75.6 | Confident | 67.2 | Low | 119 Ų | 119 | 98.7 Ų | 98.7 | 56% | 0.556 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -77.6 | -33.9 | 178.4 | -166.5 | 173.4 | -173.2 | 0 | 0 | 111.6 | S107 P108 T114 | S107-E110 WeakPolarHBondContact O-CB 3.42Å; S107-E110 PolarHBondContact O-N 3.02Å; P108-E110 VanDerWaalsContact C-N 3.35Å; E110-T114 WeakPolarHBondContact O-CG2 3.47Å; E110-T114 PolarHBondContact O-N 3.25Å; E110-T114 PolarHBondContact O-OG1 2.87Å |
| 111 | L | 77 | Confident | 67.5 | Low | 85 Ų | 85 | 96.4 Ų | 96.4 | 45% | 0.445 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 169.6 | -90.6 | 163.4 | 0 | 0 | 0 | 112.1 | V106 S107 T114 L115 | V106-L111 HydrophobicContact CB-CD1 4.48Å; V106-L111 HydrophobicContact CG1-CB 4.46Å; V106-L111 HydrophobicContact CG1-CD1 3.58Å; V106-L111 HydrophobicContact CG1-CD2 4.38Å; V106-L111 HydrophobicContact CG1-CG 3.47Å; V106-L111 VanDerWaalsContact CG1-CG 3.47Å; S107-L111 PolarHBondContact O-N 3.26Å; L111-T114 WeakPolarHBondContact CA-OG1 3.42Å; L111-T114 PolarHBondContact O-N 2.96Å; L111-T114 PolarHBondContact O-OG1 3.42Å; L111-L115 WeakPolarHBondContact O-CB 3.35Å; L111-L115 PolarHBondContact O-N 2.88Å |
| 112 | M | 76.3 | Confident | 67.9 | Low | 114 Ų | 114 | 96.5 Ų | 96.5 | 56% | 0.562 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.4 | -39.2 | 176.9 | -70.4 | -58.6 | -59.1 | 0 | 0 | 111.6 | P108 L115 E116 | P108-M112 WeakPolarHBondContact O-CG 3.49Å; P108-M112 PolarHBondContact O-N 3.2Å; P108-M112 VanDerWaalsContact O-N 3.11Å; M112-L115 PolarHBondContact O-N 3.49Å; M112-E116 WeakPolarHBondContact O-CB 3.16Å; M112-E116 PolarHBondContact O-N 2.95Å |
| 113 | A | 73.6 | Confident | 68 | Low | 53 Ų | 53 | 99.7 Ų | 99.7 | 44% | 0.438 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66 | -40.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D109 L115 E116 D117 | D109-A113 WeakPolarHBondContact O-CB 3.47Å; D109-A113 PolarHBondContact O-N 3.25Å; A113-L115 VanDerWaalsContact C-N 3.34Å; A113-E116 PolarHBondContact O-N 3.44Å; A113-D117 WeakPolarHBondContact O-CB 3.36Å; A113-D117 PolarHBondContact O-N 3.27Å |
| 114 | T | 74.1 | Confident | 67.7 | Low | 73 Ų | 73 | 96.7 Ų | 96.7 | 45% | 0.448 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.7 | -33.2 | 176.2 | 46 | 0 | 0 | 0 | 0 | 112.4 | E110 L111 T118 | E110-T114 WeakPolarHBondContact O-CG2 3.47Å; E110-T114 PolarHBondContact O-N 3.25Å; E110-T114 PolarHBondContact O-OG1 2.87Å; L111-T114 WeakPolarHBondContact CA-OG1 3.42Å; L111-T114 PolarHBondContact O-N 2.96Å; L111-T114 PolarHBondContact O-OG1 3.42Å; T114-T118 VanDerWaalsContact O-CB 3.31Å; T114-T118 WeakPolarHBondContact O-CB 3.35Å; T114-T118 PolarHBondContact O-N 2.84Å; T114-T118 PolarHBondContact O-OG1 3.27Å |
| 115 | L | 72.6 | Confident | 67.3 | Low | 108 Ų | 108 | 98.4 Ų | 98.4 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -73 | -40.1 | 174.8 | -142.5 | 159.8 | 0 | 0 | 0 | 111 | L111 M112 A113 T118 C119 | L111-L115 WeakPolarHBondContact O-CB 3.35Å; L111-L115 PolarHBondContact O-N 2.88Å; M112-L115 PolarHBondContact O-N 3.49Å; A113-L115 VanDerWaalsContact C-N 3.34Å; L115-T118 PolarHBondContact O-N 2.82Å; L115-C119 VanDerWaalsContact O-CB 3.28Å; L115-C119 WeakPolarHBondContact O-CB 3.46Å; L115-C119 PolarHBondContact O-N 2.83Å; L115-C119 PolarHBondContact O-SG 3Å |
| 116 | E | 74.2 | Confident | 66.3 | Low | 129 Ų | 129 | 98.6 Ų | 98.6 | 60% | 0.603 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.6 | -42.7 | 171.9 | -86.2 | 178.4 | 159.1 | 0 | 0 | 112.4 | M112 A113 C119 D120 | M112-E116 WeakPolarHBondContact O-CB 3.16Å; M112-E116 PolarHBondContact O-N 2.95Å; A113-E116 PolarHBondContact O-N 3.44Å; E116-C119 CarbonylContact O-C 3.55Å; E116-C119 PolarHBondContact O-N 2.88Å; E116-D120 WeakPolarHBondContact O-CB 3.32Å; E116-D120 PolarHBondContact O-N 2.88Å |
| 117 | D | 70.4 | Confident | 65.5 | Low | 104 Ų | 104 | 102.3 Ų | 102.3 | 56% | 0.556 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.6 | -37.6 | 176.4 | -168.4 | 46.8 | 0 | 0 | 0 | 112 | A113 D120 L121 | A113-D117 WeakPolarHBondContact O-CB 3.36Å; A113-D117 PolarHBondContact O-N 3.27Å; D117-D120 PolarHBondContact O-N 2.98Å; D117-L121 WeakPolarHBondContact O-CB 3.38Å; D117-L121 PolarHBondContact O-N 2.87Å |
| 118 | T | 69.4 | Low | 63.8 | Low | 77 Ų | 77 | 107.8 Ų | 107.8 | 47% | 0.472 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.5 | -38.5 | 173.3 | -57 | 0 | 0 | 0 | 0 | 111.3 | T114 L115 L121 L122 | T114-T118 VanDerWaalsContact O-CB 3.31Å; T114-T118 WeakPolarHBondContact O-CB 3.35Å; T114-T118 PolarHBondContact O-N 2.84Å; T114-T118 PolarHBondContact O-OG1 3.27Å; L115-T118 PolarHBondContact O-N 2.82Å; T118-L121 PolarHBondContact O-N 3.39Å; T118-L122 HydrophobicContact CG2-CD1 4.08Å; T118-L122 WeakPolarHBondContact O-CB 3.46Å; T118-L122 PolarHBondContact O-N 2.96Å |
| 119 | C | 62.5 | Low | 61.9 | Low | 46 Ų | 46 | 112.4 Ų | 112.4 | 31% | 0.311 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.5 | -38.4 | 174.6 | -78.4 | 0 | 0 | 0 | 0 | 111.8 | L115 E116 L121 L122 F123 | L115-C119 VanDerWaalsContact O-CB 3.28Å; L115-C119 WeakPolarHBondContact O-CB 3.46Å; L115-C119 PolarHBondContact O-N 2.83Å; L115-C119 PolarHBondContact O-SG 3Å; E116-C119 CarbonylContact O-C 3.55Å; E116-C119 PolarHBondContact O-N 2.88Å; C119-L121 VanDerWaalsContact C-N 3.33Å; C119-L121 PolarHBondContact O-N 3.02Å; C119-L122 PolarHBondContact O-N 2.92Å; C119-L122 VanDerWaalsContact O-N 3.16Å; C119-F123 HydrophobicContact CB-CD2 4.23Å; C119-F123 VanDerWaalsContact O-CB 3.31Å; C119-F123 WeakPolarHBondContact O-CB 3.28Å; C119-F123 VanDerWaalsContact O-CD2 3.28Å; C119-F123 WeakPolarHBondContact O-CD2 3.26Å; C119-F123 PolarHBondContact O-N 3.4Å |
| 120 | D | 64.4 | Low | 60 | Low | 94 Ų | 94 | 114.3 Ų | 114.3 | 50% | 0.503 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.6 | -39.1 | 173.5 | -83.6 | -25.8 | 0 | 0 | 0 | 111.1 | E116 D117 L122 N124 | E116-D120 WeakPolarHBondContact O-CB 3.32Å; E116-D120 PolarHBondContact O-N 2.88Å; D117-D120 PolarHBondContact O-N 2.98Å; D120-L122 PolarHBondContact O-N 3.46Å; D120-N124 WeakPolarHBondContact O-CA 3.48Å; D120-N124 VanDerWaalsContact O-CB 3.28Å; D120-N124 WeakPolarHBondContact O-CB 3.42Å; D120-N124 PolarHBondContact O-N 3.44Å |
| 121 | L | 63.8 | Low | 57.9 | Low | 138 Ų | 138 | 117.3 Ų | 117.3 | 72% | 0.723 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.7 | -31.3 | 171.9 | -93 | 161.2 | 0 | 0 | 0 | 114 | D117 T118 C119 | D117-L121 WeakPolarHBondContact O-CB 3.38Å; D117-L121 PolarHBondContact O-N 2.87Å; T118-L121 PolarHBondContact O-N 3.39Å; C119-L121 VanDerWaalsContact C-N 3.33Å; C119-L121 PolarHBondContact O-N 3.02Å |
| 122 | L | 65.4 | Low | 55.6 | Low | 131 Ų | 131 | 119.7 Ų | 119.7 | 69% | 0.686 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -85 | -30.3 | 179.3 | -105.8 | 138.7 | 0 | 0 | 0 | 113.4 | T118 C119 D120 | T118-L122 HydrophobicContact CG2-CD1 4.08Å; T118-L122 WeakPolarHBondContact O-CB 3.46Å; T118-L122 PolarHBondContact O-N 2.96Å; C119-L122 PolarHBondContact O-N 2.92Å; C119-L122 VanDerWaalsContact O-N 3.16Å; D120-L122 PolarHBondContact O-N 3.46Å |
| 123 | F | 59.3 | Low | 53.7 | Low | 162 Ų | 162 | 124.6 Ų | 124.6 | 71% | 0.711 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -108.1 | -11.6 | -173.9 | -70.9 | -76.6 | 0 | 0 | 0 | 114.4 | C119 P125 | C119-F123 HydrophobicContact CB-CD2 4.23Å; C119-F123 VanDerWaalsContact O-CB 3.31Å; C119-F123 WeakPolarHBondContact O-CB 3.28Å; C119-F123 VanDerWaalsContact O-CD2 3.28Å; C119-F123 WeakPolarHBondContact O-CD2 3.26Å; C119-F123 PolarHBondContact O-N 3.4Å; F123-P125 WeakPolarHBondContact O-CD 3.41Å |
| 124 | N | 49.7 | Very low | 51.7 | Low | 96 Ų | 96 | 130.8 Ų | 130.8 | 51% | 0.513 | 67% | 0.668 | S | S | . | * | trans | -116.4 | 88.7 | 168.6 | -71.7 | -41.7 | 0 | 0 | 0 | 112.5 | D120 T126 | D120-N124 WeakPolarHBondContact O-CA 3.48Å; D120-N124 VanDerWaalsContact O-CB 3.28Å; D120-N124 WeakPolarHBondContact O-CB 3.42Å; D120-N124 PolarHBondContact O-N 3.44Å; N124-T126 PolarHBondContact O-N 3.09Å | ||
| 125 | P | 49.6 | Very low | 50.8 | Low | 120 Ų | 120 | 132.1 Ų | 132.1 | 78% | 0.779 | 68% | 0.678 | S | S | * | * | trans | -81.3 | 73.4 | 159.3 | 34.9 | -31.1 | 0 | 0 | 0 | 108.6 | F123 | F123-P125 WeakPolarHBondContact O-CD 3.41Š| ||
| 126 | T | 37.3 | Very low | 49.5 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 65% | 0.65 | 69% | 0.687 | S | S | * | * | trans | -111.9 | 92.1 | 178 | -54.5 | 0 | 0 | 0 | 0 | 111.6 | N124 | N124-T126 PolarHBondContact O-N 3.09Š| ||
| 127 | T | 44.8 | Very low | 47.5 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 76% | 0.755 | 70% | 0.696 | S | S | * | * | trans | 55.9 | 92.5 | 143.6 | 60.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 128 | Q | 36.2 | Very low | 45.5 | Very low | 169 Ų | 169 | 135 Ų | 135 | 79% | 0.79 | 70% | 0.703 | S | S | * | * | trans | -110.6 | 100.7 | 139 | -164.7 | 171.1 | 8.4 | 0 | 0 | 107.9 | F130 | Q128-F130 PolarHBondContact O-N 3.1Å; Q128-F130 VanDerWaalsContact O-N 3.14Å | ||
| 129 | E | 31.4 | Very low | 43.5 | Very low | 184 Ų | 184 | 136.6 Ų | 136.6 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | trans | -52.3 | 113.7 | 165.7 | -91 | -173.4 | 133.3 | 0 | 0 | 109.2 | H131 | E129-H131 PolarHBondContact O-N 3.45Š| ||
| 130 | F | 32.6 | Very low | 42.1 | Very low | 169 Ų | 169 | 142 Ų | 142 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | trans | -81.3 | 108.5 | 157 | -78.4 | -88.1 | 0 | 0 | 0 | 108.2 | Q128 | Q128-F130 PolarHBondContact O-N 3.1Å; Q128-F130 VanDerWaalsContact O-N 3.14Å | ||
| 131 | H | 30.6 | Very low | 40.4 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | -136.7 | 112.5 | 150.6 | -119.2 | -75.1 | 0 | 0 | 0 | 111.7 | E129 | E129-H131 PolarHBondContact O-N 3.45Š| ||
| 132 | N | 29.8 | Very low | 38.9 | Very low | 136 Ų | 136 | 145 Ų | 145 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -63 | 146 | -179.6 | -59.5 | -84.3 | 0 | 0 | 0 | 113.7 | ||||
| 133 | K | 35.5 | Very low | 37.2 | Very low | 216 Ų | 216 | 144 Ų | 144 | 94% | 0.939 | 75% | 0.752 | S | S | * | * | trans | -165.4 | 133.1 | 139.2 | -100.5 | 170.3 | -168.4 | -174.8 | 0 | 110.3 | ||||
| 134 | E | 33 | Very low | 35.7 | Very low | 184 Ų | 184 | 142.9 Ų | 142.9 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -88.8 | -174.9 | -169.6 | -151.4 | -163 | 147.6 | 0 | 0 | 113.5 | ||||
| 135 | P | 55.3 | Low | 35.1 | Very low | 100 Ų | 100 | 144 Ų | 144 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | -103.2 | 178.3 | -95.6 | 41.3 | -26 | 0 | 0 | 0 | 114 | |||||
| 136 | P | 44.6 | Very low | 34.7 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | -157.7 | 162.3 | 89 | 40.8 | -19.5 | 0 | 0 | 0 | 118.7 | |||||
| 137 | L | 31.1 | Very low | 34.2 | Very low | 149 Ų | 149 | 146.2 Ų | 146.2 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | 35.5 | 135.6 | 142 | -100.4 | 66.4 | 0 | 0 | 0 | 124.3 | ||||
| 138 | I | 28.8 | Very low | 33.9 | Very low | 136 Ų | 136 | 144.5 Ų | 144.5 | 70% | 0.697 | 76% | 0.76 | S | S | * | * | 91 | 122.8 | 129.3 | -78.4 | 172.3 | 0 | 0 | 0 | 121.2 | |||||
| 139 | T | 28.7 | Very low | 34.5 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | trans | 63.5 | 132.9 | 159.9 | 19 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 140 | D | 32.8 | Very low | 34.5 | Very low | 159 Ų | 159 | 140.5 Ų | 140.5 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | -137.4 | 135.9 | 50.5 | -85 | -43.3 | 0 | 0 | 0 | 116.2 | |||||
| 141 | L | 28.9 | Very low | 34.5 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | -85.8 | 140.8 | 163.7 | -167.9 | 85.9 | 0 | 0 | 0 | 107.4 | ||||
| 142 | I | 31.8 | Very low | 34.6 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | 170.4 | 96.1 | 138 | -82.4 | 152 | 0 | 0 | 0 | 105.9 | ||||
| 143 | T | 29 | Very low | 34.7 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | 69.2 | 109.8 | 99.9 | -43.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 144 | T | 29 | Very low | 35.1 | Very low | 137 Ų | 137 | 129.5 Ų | 129.5 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | -146.1 | 120.5 | 75.4 | 50.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 145 | L | 35.5 | Very low | 35.2 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 63% | 0.634 | 75% | 0.745 | S | S | * | * | trans | -88.6 | 168.1 | 149.7 | -151.6 | 61.9 | 0 | 0 | 0 | 108 | E147 | L145-E147 HydrophobicContact CD1-CB 4.31Å; L145-E147 HydrophobicContact CD2-CB 3.26Å; L145-E147 HydrophobicContact CD2-CG 4.03Å; L145-E147 WeakPolarHBondContact CD2-OE2 3.36Å; L145-E147 HydrophobicContact CG-CB 3.46Å; L145-E147 VanDerWaalsContact CG-CB 3.46Å | ||
| 146 | P | 42.8 | Very low | 34.6 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | -131.2 | 149.2 | 71.4 | 4.9 | 20.7 | 0 | 0 | 0 | 112.1 | |||||
| 147 | E | 26.5 | Very low | 34.4 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | cis | 59.3 | 133.1 | 30.8 | -172.7 | 160.6 | -155.6 | 0 | 0 | 114.2 | L145 | L145-E147 HydrophobicContact CD1-CB 4.31Å; L145-E147 HydrophobicContact CD2-CB 3.26Å; L145-E147 HydrophobicContact CD2-CG 4.03Å; L145-E147 WeakPolarHBondContact CD2-OE2 3.36Å; L145-E147 HydrophobicContact CG-CB 3.46Å; L145-E147 VanDerWaalsContact CG-CB 3.46Å | ||
| 148 | S | 37.3 | Very low | 34.5 | Very low | 87 Ų | 87 | 129.9 Ų | 129.9 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | cis | -164 | -158.7 | -19.2 | 51.3 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 149 | P | 50.3 | Low | 35 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 66% | 0.662 | 76% | 0.756 | S | S | * | * | -156 | 165.3 | 61.6 | 40.5 | -16.6 | 0 | 0 | 0 | 119.5 | |||||
| 150 | I | 30.8 | Very low | 35.4 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 86% | 0.862 | 76% | 0.759 | S | S | * | * | trans | 72.1 | 130.5 | 146.8 | -76.5 | 153.4 | 0 | 0 | 0 | 117.2 | ||||
| 151 | G | 31.5 | Very low | 35.5 | Very low | 69 Ų | 69 | 127.9 Ų | 127.9 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | cis | 156.2 | 141.3 | 2.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 152 | A | 32.8 | Very low | 35.8 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | 93 | 121.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 153 | D | 31.8 | Very low | 36 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | 69 | 105 | 143 | -68.9 | 1.2 | 0 | 0 | 0 | 123.9 | ||||
| 154 | H | 45 | Very low | 36.2 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | 32.9 | 114.7 | 133.3 | -44.3 | -73.2 | 0 | 0 | 0 | 120.2 | ||||
| 155 | M | 34.1 | Very low | 37 | Very low | 182 Ų | 182 | 133.7 Ų | 133.7 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | 162.6 | 131.7 | 120.5 | -83.8 | -157.1 | 91.9 | 0 | 0 | 111.7 | |||||
| 156 | A | 42.7 | Very low | 37 | Very low | 82 Ų | 82 | 136.2 Ų | 136.2 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | 62.5 | 141.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | L158 | A156-L158 PolarHBondContact O-N 3.05Š| ||
| 157 | P | 40.5 | Very low | 36.7 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -77.4 | 111.5 | 172.1 | 4.5 | 12.7 | 0 | 0 | 0 | 110 | ||||
| 158 | L | 33 | Very low | 37.5 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -86.6 | 121.2 | 172.6 | -81.9 | 165.3 | 0 | 0 | 0 | 110.9 | A156 | A156-L158 PolarHBondContact O-N 3.05Š| ||
| 159 | T | 41.1 | Very low | 37.4 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | trans | -45.1 | 134.6 | 147.2 | 50.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 160 | S | 36.2 | Very low | 36.4 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | 160.6 | 144.8 | 158.3 | -87.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 161 | L | 35.3 | Very low | 36.6 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | cis | -170.8 | 125.9 | 12.1 | -99.9 | 149.1 | 0 | 0 | 0 | 104.4 | ||||
| 162 | W | 34.3 | Very low | 36.4 | Very low | 270 Ų | 270 | 136.6 Ų | 136.6 | 100% | 1.023 | 79% | 0.792 | S | S | * | * | trans | -118.1 | 91.5 | 151.6 | -109.1 | -1.4 | 0 | 0 | 0 | 107.5 | ||||
| 163 | S | 37.3 | Very low | 36.4 | Very low | 78 Ų | 78 | 137.1 Ų | 137.1 | 55% | 0.545 | 79% | 0.789 | S | S | . | * | trans | -117.8 | 137.8 | 157.9 | -63.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 164 | F | 32.9 | Very low | 36.5 | Very low | 202 Ų | 202 | 136.1 Ų | 136.1 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | trans | 168.3 | 159.4 | 143.9 | -84 | -56.1 | 0 | 0 | 0 | 108.3 | ||||
| 165 | P | 46.1 | Very low | 36.5 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | cis | -131.6 | 168.1 | -35.8 | 32.3 | -14.8 | 0 | 0 | 0 | 112.8 | ||||
| 166 | L | 34 | Very low | 36.6 | Very low | 174 Ų | 174 | 131 Ų | 131 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | trans | -68.2 | 149.4 | 169.8 | -116.7 | 66.9 | 0 | 0 | 0 | 112.4 | ||||
| 167 | S | 36.6 | Very low | 36.5 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -42.6 | 163.5 | 174.5 | -177.9 | 0 | 0 | 0 | 0 | 117.7 | G169 | S167-G169 PolarHBondContact OG-N 2.94Š| ||
| 168 | P | 44.6 | Very low | 36.4 | Very low | 131 Ų | 131 | 135 Ų | 135 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | -129.8 | 146.3 | 118 | 36.1 | -26.3 | 0 | 0 | 0 | 112.9 | |||||
| 169 | G | 33.7 | Very low | 36.8 | Very low | 72 Ų | 72 | 135.7 Ų | 135.7 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | -93 | 174.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | S167 | S167-G169 PolarHBondContact OG-N 2.94Š| ||
| 170 | S | 31 | Very low | 37.1 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -178.4 | 121.4 | 132.5 | -157 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 171 | L | 33.4 | Very low | 37.9 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | 36.9 | 115.7 | 139.8 | -50.6 | 174.7 | 0 | 0 | 0 | 120.9 | ||||
| 172 | T | 28.7 | Very low | 38.4 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | 160.5 | 142.7 | 102.8 | 46.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 173 | S | 32.1 | Very low | 39.2 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | 79.4 | 95.7 | 155.7 | -170.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 174 | T | 34.3 | Very low | 39.2 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | trans | 0.7 | 157.2 | 131.9 | 51.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 175 | P | 43.8 | Very low | 40 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | cis | -139.1 | 158.8 | 34.6 | 16 | 11.5 | 0 | 0 | 0 | 119.8 | ||||
| 176 | D | 36.4 | Very low | 40 | Very low | 124 Ų | 124 | 134 Ų | 134 | 66% | 0.663 | 80% | 0.796 | S | S | * | * | trans | -4 | 141.8 | 158.5 | -57.8 | -43.9 | 0 | 0 | 0 | 117.7 | ||||
| 177 | H | 40.9 | Very low | 40.7 | Very low | 188 Ų | 188 | 131.7 Ų | 131.7 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | -155.1 | 127.3 | 62.9 | -50.4 | -71.9 | 0 | 0 | 0 | 111.4 | |||||
| 178 | S | 38.3 | Very low | 41.1 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -110.8 | 126 | 173.3 | -171.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 179 | F | 42 | Very low | 41.2 | Very low | 173 Ų | 173 | 133 Ų | 133 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | -73.1 | 121.2 | 170.4 | 175.5 | -94.6 | 0 | 0 | 0 | 109.6 | L181 | F179-L181 HydrophobicContact CD1-CG 4.49Å; F179-L181 HydrophobicContact CE1-CD2 3.59Å; F179-L181 HydrophobicContact CE1-CG 3.85Å; F179-L181 HydrophobicContact CZ-CD2 3.94Å | ||
| 180 | S | 47.7 | Very low | 41.7 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -113.6 | 127.6 | 171.1 | -84.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 181 | L | 52.3 | Low | 42 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -73.7 | 122.5 | 172 | -67.8 | 163.8 | 0 | 0 | 0 | 109.2 | F179 | F179-L181 HydrophobicContact CD1-CG 4.49Å; F179-L181 HydrophobicContact CE1-CD2 3.59Å; F179-L181 HydrophobicContact CE1-CG 3.85Å; F179-L181 HydrophobicContact CZ-CD2 3.94Å | ||
| 182 | E | 45.5 | Very low | 42.5 | Very low | 192 Ų | 192 | 135.9 Ų | 135.9 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | -103.6 | 114.6 | 174.4 | -163.6 | 171.3 | -164.3 | 0 | 0 | 109.4 | ||||
| 183 | L | 51.8 | Low | 42.8 | Very low | 178 Ų | 178 | 136 Ų | 136 | 93% | 0.932 | 78% | 0.777 | S | S | * | * | trans | -120.7 | 120.2 | 174.6 | -142.4 | 90.1 | 0 | 0 | 0 | 107.5 | ||||
| 184 | G | 36.7 | Very low | 43.2 | Very low | 71 Ų | 71 | 140.4 Ų | 140.4 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | 96 | 98.2 | 148.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 185 | S | 51 | Low | 43.6 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | 24.8 | 109.5 | 127.8 | 171.4 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 186 | E | 45.3 | Very low | 43.3 | Very low | 172 Ų | 172 | 148.4 Ų | 148.4 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -136.3 | 117.7 | 148.2 | -169.2 | 165.9 | -176.8 | 0 | 0 | 108.8 | ||||
| 187 | V | 48.9 | Very low | 43.2 | Very low | 125 Ų | 125 | 152.2 Ų | 152.2 | 76% | 0.758 | 81% | 0.807 | S | S | * | * | trans | -85.3 | 124.6 | 167.7 | 165.6 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 188 | D | 45.5 | Very low | 43.3 | Very low | 136 Ų | 136 | 146.5 Ų | 146.5 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -135.6 | 135.4 | 165.7 | -133.9 | -0.1 | 0 | 0 | 0 | 112.6 | ||||
| 189 | V | 45.8 | Very low | 43.7 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | trans | -91.6 | 114 | -174.3 | 172.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 190 | L | 45 | Very low | 43.5 | Very low | 159 Ų | 159 | 144.5 Ų | 144.5 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -96 | 109.5 | 163.1 | -92.5 | 116.8 | 0 | 0 | 0 | 108.2 | ||||
| 191 | E | 36.8 | Very low | 43.1 | Very low | 160 Ų | 160 | 149 Ų | 149 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | 60.8 | 108.2 | 71.4 | -163.1 | 167.1 | -152.6 | 0 | 0 | 112.2 | |||||
| 192 | G | 43.2 | Very low | 42.6 | Very low | 74 Ų | 74 | 147 Ų | 147 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | trans | -90.7 | 138.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 193 | E | 35.1 | Very low | 42.2 | Very low | 144 Ų | 144 | 143.8 Ų | 143.8 | 67% | 0.673 | 79% | 0.793 | S | S | * | * | trans | -148.7 | 107.4 | 168.5 | -156.9 | 171.5 | -159.6 | 0 | 0 | 112.8 | ||||
| 194 | R | 40.9 | Very low | 41.5 | Very low | 202 Ų | 202 | 140.9 Ų | 140.9 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | 21.9 | 121.6 | 143.7 | 41.1 | 179.5 | -102.2 | -140.7 | 5.5 | 121.7 | ||||
| 195 | K | 42.8 | Very low | 41.6 | Very low | 205 Ų | 205 | 144.6 Ų | 144.6 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | trans | 37.6 | 120 | 130.2 | -62.2 | -169.9 | 176.3 | -171.8 | 0 | 121 | ||||
| 196 | Q | 37.6 | Very low | 40.7 | Very low | 198 Ų | 198 | 145.2 Ų | 145.2 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | -162.1 | 140.5 | 127.3 | -114 | 172.5 | -21.3 | 0 | 0 | 113 | |||||
| 197 | E | 34.9 | Very low | 40.3 | Very low | 203 Ų | 203 | 146.3 Ų | 146.3 | 95% | 0.949 | 78% | 0.784 | S | S | * | * | trans | -61.2 | 159.5 | 179 | -66.4 | 163.5 | 124.6 | 0 | 0 | 113.4 | ||||
| 198 | G | 43.4 | Very low | 39.4 | Very low | 69 Ų | 69 | 145.2 Ų | 145.2 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | cis | 175.3 | -159.9 | 8.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 199 | P | 45.9 | Very low | 38.8 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | cis | -124.9 | 150.9 | -31.3 | 37.6 | -20.7 | 0 | 0 | 0 | 114.9 | ||||
| 200 | T | 38.6 | Very low | 38.5 | Very low | 123 Ų | 123 | 151.2 Ų | 151.2 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 55.1 | 112 | 136.5 | -47.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 201 | F | 37.6 | Very low | 38 | Very low | 200 Ų | 200 | 152.2 Ų | 152.2 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | -147.3 | 138.3 | 118.4 | -155.7 | -98.5 | 0 | 0 | 0 | 111.4 | V203 | F201-V203 HydrophobicContact CE1-CG2 4.39Š| |||
| 202 | V | 41.9 | Very low | 38 | Very low | 109 Ų | 109 | 152.2 Ų | 152.2 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | trans | -96 | 131.9 | -171 | 167.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 203 | V | 37.5 | Very low | 37.8 | Very low | 126 Ų | 126 | 155 Ų | 155 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | -152.2 | 106.8 | 142.9 | -179.8 | 0 | 0 | 0 | 0 | 111 | F201 | F201-V203 HydrophobicContact CE1-CG2 4.39Š| ||
| 204 | V | 38.3 | Very low | 38.1 | Very low | 117 Ų | 117 | 155.8 Ų | 155.8 | 71% | 0.709 | 80% | 0.797 | S | S | * | * | trans | 49.7 | 114.4 | 138.4 | -170.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 205 | I | 38.1 | Very low | 38.4 | Very low | 149 Ų | 149 | 154 Ų | 154 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -72.5 | 137.2 | 160.7 | -63.1 | 165.1 | 0 | 0 | 0 | 109.9 | K207 | I205-K207 HydrophobicContact CG2-CG 4.31Š| ||
| 206 | T | 32.8 | Very low | 38.3 | Very low | 134 Ų | 134 | 150 Ų | 150 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -128.1 | 116.9 | 148.3 | -19.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 207 | K | 35.3 | Very low | 38.8 | Very low | 194 Ų | 194 | 147.6 Ų | 147.6 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -102.2 | 134.1 | 168.5 | -89.8 | -167.5 | 172.1 | 177.4 | 0 | 108.8 | I205 | I205-K207 HydrophobicContact CG2-CG 4.31Š| ||
| 208 | S | 31.7 | Very low | 39.2 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | 177.6 | 143.4 | 155.1 | 47.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 209 | E | 31.8 | Very low | 39.9 | Very low | 192 Ų | 192 | 147 Ų | 147 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | cis | -164.7 | 164.7 | -1.8 | -113.3 | 169.4 | 165.9 | 0 | 0 | 105.9 | ||||
| 210 | K | 39.4 | Very low | 40 | Very low | 193 Ų | 193 | 145 Ų | 145 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -85.5 | 145.8 | -174.8 | 173.1 | -172.1 | 178 | -171.1 | 0 | 111 | ||||
| 211 | E | 34.7 | Very low | 40.1 | Very low | 180 Ų | 180 | 145.8 Ų | 145.8 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | 156.6 | 143.7 | 145.6 | -90 | 169.7 | -167.6 | 0 | 0 | 107.5 | ||||
| 212 | E | 36.5 | Very low | 40.3 | Very low | 159 Ų | 159 | 141.7 Ų | 141.7 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | cis | -168.5 | 144.4 | -9.1 | -178.1 | 176.4 | -175.9 | 0 | 0 | 105 | ||||
| 213 | E | 39.6 | Very low | 40.4 | Very low | 134 Ų | 134 | 144 Ų | 144 | 63% | 0.626 | 78% | 0.783 | S | S | * | * | trans | 37.1 | 112 | 151 | -158.3 | 168.3 | -171.2 | 0 | 0 | 121.6 | ||||
| 214 | N | 40.4 | Very low | 40.9 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | -165.6 | 129.7 | 118.7 | -105.3 | 8.5 | 0 | 0 | 0 | 111.4 | |||||
| 215 | H | 47.6 | Very low | 41.5 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -67.2 | 137.5 | -179.5 | -70.6 | -92.2 | 0 | 0 | 0 | 113.2 | ||||
| 216 | S | 41.7 | Very low | 41.4 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -162.9 | 101.5 | 148.1 | -153.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 217 | D | 47.8 | Very low | 41.7 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -83.5 | 119.5 | 171.6 | -75.9 | -40.4 | 0 | 0 | 0 | 109.5 | S219 | D217-S219 PolarHBondContact O-N 3.17Š| ||
| 218 | D | 43.4 | Very low | 41.9 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -78.7 | 99.4 | 169.5 | -177.8 | 27.7 | 0 | 0 | 0 | 108.7 | ||||
| 219 | S | 57 | Low | 42.3 | Very low | 92 Ų | 92 | 145.8 Ų | 145.8 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | trans | -106.5 | 121.8 | 177.5 | -71.6 | 0 | 0 | 0 | 0 | 110.6 | D217 | D217-S219 PolarHBondContact O-N 3.17Š| ||
| 220 | G | 49.4 | Very low | 42.4 | Very low | 80 Ų | 80 | 140.1 Ų | 140.1 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -53.7 | 133.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 221 | I | 39.8 | Very low | 42.5 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | -104.1 | 105.6 | 176.5 | -84.8 | 153.1 | 0 | 0 | 0 | 109 | M223 | I221-M223 HydrophobicContact CG2-CE 3.78Å; I221-M223 HydrophobicContact CG2-CG 4.01Å; I221-M223 HydrophobicContact CG2-SD 4.42Å | ||
| 222 | C | 41.4 | Very low | 43 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | trans | -74.3 | 116.1 | 160.2 | -174.3 | 0 | 0 | 0 | 0 | 107.5 | S224 | C222-S224 PolarHBondContact O-N 3.41Š| ||
| 223 | M | 44.7 | Very low | 43.3 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -86.4 | 107.2 | 174.2 | -73 | -93 | 88 | 0 | 0 | 109.4 | I221 | I221-M223 HydrophobicContact CG2-CE 3.78Å; I221-M223 HydrophobicContact CG2-CG 4.01Å; I221-M223 HydrophobicContact CG2-SD 4.42Å | ||
| 224 | S | 47.5 | Very low | 43.3 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | trans | -113.1 | 149.7 | 156.4 | -82.1 | 0 | 0 | 0 | 0 | 108.6 | C222 | C222-S224 PolarHBondContact O-N 3.41Š| ||
| 225 | P | 51.5 | Low | 43.4 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -83.5 | 140.4 | -151.9 | 32.2 | -34.1 | 0 | 0 | 0 | 113.6 | S227 | P225-S227 PolarHBondContact O-N 2.99Š| ||
| 226 | D | 34.6 | Very low | 43.2 | Very low | 151 Ų | 151 | 132.4 Ų | 132.4 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | -62.8 | 123.1 | 178.3 | -69.3 | -54 | 0 | 0 | 0 | 113 | ||||
| 227 | S | 40 | Very low | 43 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -91.6 | 111 | 161.1 | 57.8 | 0 | 0 | 0 | 0 | 109.4 | P225 L229 | P225-S227 PolarHBondContact O-N 2.99Å; S227-L229 PolarHBondContact O-N 3.07Å | ||
| 228 | Y | 38.9 | Very low | 42.4 | Very low | 233 Ų | 233 | 134 Ų | 134 | 91% | 0.914 | 80% | 0.795 | S | S | * | * | trans | -66.8 | 118.8 | 174.1 | -120.9 | -103.8 | 0 | 0 | 0 | 110.7 | ||||
| 229 | L | 41 | Very low | 42.1 | Very low | 154 Ų | 154 | 131.2 Ų | 131.2 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | trans | -113.1 | 114.3 | 168.2 | -104.8 | 154.9 | 0 | 0 | 0 | 108.1 | S227 | S227-L229 PolarHBondContact O-N 3.07Š| ||
| 230 | G | 34.3 | Very low | 41.2 | Very low | 73 Ų | 73 | 134.1 Ų | 134.1 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | -141.3 | 92.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 231 | T | 40.5 | Very low | 40.4 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | trans | -103.6 | 143.2 | 173 | -40 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 232 | P | 44.7 | Very low | 40.4 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -117.6 | 140.9 | 142.2 | 16.3 | 2.4 | 0 | 0 | 0 | 111.5 | ||||
| 233 | Q | 44.4 | Very low | 40.7 | Very low | 180 Ų | 180 | 132.2 Ų | 132.2 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -65.6 | 139.4 | -178.4 | -64.5 | -167.3 | -42.9 | 0 | 0 | 113.3 | ||||
| 234 | N | 38.5 | Very low | 40.2 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -168.7 | 114.5 | 138.3 | -95.5 | -35.7 | 0 | 0 | 0 | 110 | ||||
| 235 | S | 43.1 | Very low | 39.6 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -88.7 | 157.8 | 174.6 | -51.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 236 | P | 43.1 | Very low | 39.2 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | -131.4 | 137 | 124.8 | 13 | 7.7 | 0 | 0 | 0 | 113.8 | |||||
| 237 | N | 37.9 | Very low | 39.4 | Very low | 152 Ų | 152 | 134 Ų | 134 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -51.7 | 137.5 | 163.5 | -90.4 | -6.7 | 0 | 0 | 0 | 112.2 | ||||
| 238 | T | 34.3 | Very low | 39.4 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 91% | 0.914 | 81% | 0.808 | S | S | * | * | trans | -140.9 | 125.9 | 130.8 | 52.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 239 | S | 38.4 | Very low | 39.8 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -108.4 | 117.5 | 179.1 | 139.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 240 | V | 38.1 | Very low | 39.8 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -164.3 | 129 | 153.1 | -159.1 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 241 | G | 31 | Very low | 40 | Very low | 75 Ų | 75 | 135.7 Ų | 135.7 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | cis | 166.4 | 127.5 | 6.8 | 0 | 0 | 0 | 0 | 0 | 104 | ||||
| 242 | S | 39.7 | Very low | 40 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -111.1 | 141.4 | 166.3 | -164.7 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 243 | P | 48.8 | Very low | 40.1 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 68% | 0.675 | 81% | 0.808 | S | S | * | * | -155.6 | -175.6 | 84.2 | 38.5 | -17.2 | 0 | 0 | 0 | 115.2 | |||||
| 244 | N | 33.9 | Very low | 39.9 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | 96.4 | 148.5 | 157 | -68.1 | -5.1 | 0 | 0 | 0 | 117.4 | ||||
| 245 | D | 33.9 | Very low | 40.1 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | cis | -171.5 | 145.9 | -27.4 | -156.4 | -12.9 | 0 | 0 | 0 | 102.7 | Q247 | D245-Q247 PolarHBondContact O-N 3.42Š| ||
| 246 | S | 44.2 | Very low | 40.2 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | -68 | 121.3 | -177 | 46.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 247 | Q | 37.9 | Very low | 40.3 | Very low | 184 Ų | 184 | 127.3 Ų | 127.3 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -148.9 | 122.1 | 157.3 | -67.2 | -167 | -4.5 | 0 | 0 | 112.9 | D245 | D245-Q247 PolarHBondContact O-N 3.42Š| ||
| 248 | F | 40.1 | Very low | 40.9 | Very low | 203 Ų | 203 | 131.2 Ų | 131.2 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -65.7 | 160.5 | 160.2 | -71.2 | -91.7 | 0 | 0 | 0 | 110.7 | ||||
| 249 | P | 47.5 | Very low | 41.4 | Very low | 126 Ų | 126 | 129 Ų | 129 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | -140.9 | 151.5 | 117.1 | 33.9 | -18.9 | 0 | 0 | 0 | 115.4 | |||||
| 250 | T | 41.4 | Very low | 42.1 | Very low | 120 Ų | 120 | 134 Ų | 134 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -86.9 | 164.6 | 172.2 | -23.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 251 | D | 39.1 | Very low | 42.7 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | 90.6 | 110.5 | 161.7 | -63.5 | -20.2 | 0 | 0 | 0 | 119.6 | ||||
| 252 | A | 40.5 | Very low | 43.7 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | 166.8 | 124.3 | 84.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 253 | S | 45.8 | Very low | 44.2 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | 26 | 123 | 138.7 | -165.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 254 | S | 41.2 | Very low | 44.6 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | -175.4 | 121.9 | 115.7 | -83.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 255 | G | 43.1 | Very low | 45.3 | Very low | 80 Ų | 80 | 140.8 Ų | 140.8 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -83.3 | 161.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 256 | S | 44.3 | Very low | 46.2 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -149.4 | 101 | 156.1 | -167.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 257 | V | 45.6 | Very low | 46.7 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | 52.4 | 98.3 | 132 | -168.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 258 | R | 50.4 | Low | 47.4 | Very low | 233 Ų | 233 | 142 Ų | 142 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | 55.7 | 120.3 | 123.4 | -163.3 | 167.1 | -166.5 | 162.8 | 3.9 | 119.6 | |||||
| 259 | S | 43.7 | Very low | 47.9 | Very low | 102 Ų | 102 | 138.3 Ų | 138.3 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | -169.6 | 131 | 98.5 | 45 | 0 | 0 | 0 | 0 | 112.1 | P261 | S259-P261 WeakPolarHBondContact O-CD 3.31Š| |||
| 260 | K | 53.5 | Low | 48 | Very low | 214 Ų | 214 | 138.2 Ų | 138.2 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | trans | -90 | 120.2 | 155.6 | -72.4 | -173.3 | 177.3 | -175.3 | 0 | 107.1 | ||||
| 261 | P | 50.8 | Low | 48.4 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 60% | 0.597 | 78% | 0.782 | S | S | * | * | trans | -115.1 | 126.2 | 157.8 | 34.1 | -20.9 | 0 | 0 | 0 | 108.3 | S259 | S259-P261 WeakPolarHBondContact O-CD 3.31Š| ||
| 262 | Y | 52.1 | Low | 49.1 | Very low | 212 Ų | 212 | 132.7 Ų | 132.7 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | trans | 83.7 | 85.1 | 176.4 | -53.2 | -78.1 | 0 | 0 | 0 | 116.3 | H264 | Y262-H264 PolarHBondContact O-N 2.85Š| ||
| 263 | D | 49.5 | Very low | 49.7 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | -21.3 | 117.5 | 132.9 | -92.8 | -42 | 0 | 0 | 0 | 111.7 | P265 | D263-P265 WeakPolarHBondContact O-CD 3.44Š| ||
| 264 | H | 57.3 | Low | 50.2 | Low | 173 Ų | 173 | 133.7 Ų | 133.7 | 80% | 0.801 | 75% | 0.748 | S | S | * | * | trans | -70.2 | 122.3 | 164.1 | -52.2 | -47.4 | 0 | 0 | 0 | 106.7 | Y262 A266 | Y262-H264 PolarHBondContact O-N 2.85Å; H264-A266 PolarHBondContact O-N 2.88Å; H264-A266 VanDerWaalsContact O-N 3.16Å | ||
| 265 | P | 49.2 | Very low | 50.9 | Low | 99 Ų | 99 | 135.1 Ų | 135.1 | 64% | 0.643 | 74% | 0.739 | S | S | * | * | trans | -57.2 | 128.2 | 169.9 | -14.9 | 27.3 | 0 | 0 | 0 | 106.9 | D263 E267 | D263-P265 WeakPolarHBondContact O-CD 3.44Å; P265-E267 PolarHBondContact O-N 3.18Å | ||
| 266 | A | 53.4 | Low | 51.8 | Low | 103 Ų | 103 | 132.7 Ų | 132.7 | 85% | 0.851 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -68 | 53 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | H264 | H264-A266 PolarHBondContact O-N 2.88Å; H264-A266 VanDerWaalsContact O-N 3.16Å |
| 267 | E | 54 | Low | 52.8 | Low | 168 Ų | 168 | 132.5 Ų | 132.5 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | trans | -130.1 | 48.9 | 179.5 | -74.8 | -169.2 | 157.2 | 0 | 0 | 110.5 | P265 | P265-E267 PolarHBondContact O-N 3.18Š| ||
| 268 | K | 53 | Low | 54 | Low | 172 Ų | 172 | 132.5 Ų | 132.5 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | trans | -134.8 | 35.9 | 170.2 | -64.6 | -168.1 | -176.9 | -178.7 | 0 | 113.3 | ||||
| 269 | V | 50.3 | Low | 55.3 | Low | 125 Ų | 125 | 128.1 Ų | 128.1 | 76% | 0.758 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -87.2 | -12.2 | 169.1 | -123.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 270 | V | 50.7 | Low | 57.1 | Low | 124 Ų | 124 | 128 Ų | 128 | 75% | 0.752 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -104.8 | -27.6 | -176.8 | -167.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 271 | S | 49.7 | Very low | 58.8 | Low | 90 Ų | 90 | 121.7 Ų | 121.7 | 63% | 0.629 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -85.9 | -11.6 | -177.6 | -68 | 0 | 0 | 0 | 0 | 115.1 | ||
| 272 | A | 54.1 | Low | 60.8 | Low | 67 Ų | 67 | 124 Ų | 124 | 55% | 0.554 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -78.2 | -33.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K275 G276 | A272-K275 PolarHBondContact O-N 3.3Å; A272-G276 PolarHBondContact O-N 2.75Å |
| 273 | K | 52.2 | Low | 62.8 | Low | 156 Ų | 156 | 121.3 Ų | 121.3 | 68% | 0.678 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.4 | -48.1 | 179.7 | -79.7 | -174 | 173.1 | -176.9 | 0 | 112.3 | K275 G276 E277 | K273-K275 VanDerWaalsContact C-N 3.27Å; K273-K275 PolarHBondContact O-N 3.41Å; K273-G276 PolarHBondContact O-N 2.89Å; K273-G276 VanDerWaalsContact O-N 3.08Å; K273-E277 PolarHBondContact O-N 3.38Å |
| 274 | V | 55.2 | Low | 64.8 | Low | 77 Ų | 77 | 118 Ų | 118 | 47% | 0.467 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.9 | -30.5 | -179.9 | -179.1 | 0 | 0 | 0 | 0 | 112.7 | K278 | V274-K278 WeakPolarHBondContact O-CD 3.37Å; V274-K278 VanDerWaalsContact O-CG 3.28Å; V274-K278 WeakPolarHBondContact O-CG 3.35Å; V274-K278 PolarHBondContact O-N 3.32Å |
| 275 | K | 57.6 | Low | 66.6 | Low | 151 Ų | 151 | 116.7 Ų | 116.7 | 66% | 0.657 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -84.9 | -22.2 | 176.6 | -163.3 | 149 | -176.8 | 172.5 | 0 | 113 | A272 K273 K279 | A272-K275 PolarHBondContact O-N 3.3Å; K273-K275 VanDerWaalsContact C-N 3.27Å; K273-K275 PolarHBondContact O-N 3.41Å; K275-K279 VanDerWaalsContact O-CG 3.29Å; K275-K279 WeakPolarHBondContact O-CG 3.34Å |
| 276 | G | 60.5 | Low | 68.9 | Low | 28 Ų | 28 | 119 Ų | 119 | 29% | 0.289 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -75.8 | -44.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | A272 K273 K279 I280 | A272-G276 PolarHBondContact O-N 2.75Å; K273-G276 PolarHBondContact O-N 2.89Å; K273-G276 VanDerWaalsContact O-N 3.08Å; G276-K279 WeakPolarHBondContact O-CA 3.38Å; G276-K279 WeakPolarHBondContact O-CB 3.43Å; G276-K279 PolarHBondContact O-N 2.95Å; G276-I280 WeakPolarHBondContact O-CG1 3.44Å; G276-I280 PolarHBondContact O-N 3.3Å |
| 277 | E | 65.4 | Low | 70.9 | Confident | 111 Ų | 111 | 119.2 Ų | 119.2 | 52% | 0.519 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -59.6 | -48.6 | 176.1 | -74.2 | 167.2 | 169.3 | 0 | 0 | 111.3 | K273 K279 I280 D281 | K273-E277 PolarHBondContact O-N 3.38Å; E277-K279 PolarHBondContact O-N 2.95Å; E277-I280 PolarHBondContact O-N 2.89Å; E277-D281 PolarHBondContact O-N 3.48Å |
| 278 | K | 72.3 | Confident | 72.9 | Confident | 127 Ų | 127 | 115.7 Ų | 115.7 | 55% | 0.552 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -58.7 | -23.4 | 174 | -69.6 | 176.8 | -175.9 | -175.8 | 0 | 113.9 | V274 K282 | V274-K278 WeakPolarHBondContact O-CD 3.37Å; V274-K278 VanDerWaalsContact O-CG 3.28Å; V274-K278 WeakPolarHBondContact O-CG 3.35Å; V274-K278 PolarHBondContact O-N 3.32Å; K278-K282 VanDerWaalsContact O-CD 3.31Å; K278-K282 WeakPolarHBondContact O-CD 3.46Å; K278-K282 WeakPolarHBondContact O-CG 3.42Å; K278-K282 PolarHBondContact O-N 2.89Å |
| 279 | K | 77.3 | Confident | 75.1 | Confident | 140 Ų | 140 | 113.9 Ų | 113.9 | 61% | 0.609 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -81.7 | -38.2 | 174 | -73.7 | 173.4 | -179.9 | -173.5 | 0 | 111.5 | K275 G276 E277 K282 K283 | K275-K279 VanDerWaalsContact O-CG 3.29Å; K275-K279 WeakPolarHBondContact O-CG 3.34Å; G276-K279 WeakPolarHBondContact O-CA 3.38Å; G276-K279 WeakPolarHBondContact O-CB 3.43Å; G276-K279 PolarHBondContact O-N 2.95Å; E277-K279 PolarHBondContact O-N 2.95Å; K279-K282 PolarHBondContact O-N 3.49Å; K279-K283 PolarHBondContact O-N 3.23Å |
| 280 | I | 81.7 | Confident | 77.3 | Confident | 101 Ų | 101 | 113.4 Ų | 113.4 | 52% | 0.518 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.7 | -44.2 | 175.3 | -64.5 | 162 | 0 | 0 | 0 | 109.9 | G276 E277 K282 K283 L284 | G276-I280 WeakPolarHBondContact O-CG1 3.44Å; G276-I280 PolarHBondContact O-N 3.3Å; E277-I280 PolarHBondContact O-N 2.89Å; I280-K282 VanDerWaalsContact C-N 3.31Å; I280-K282 PolarHBondContact O-N 3.42Å; I280-K283 WeakPolarHBondContact O-CA 3.47Å; I280-K283 WeakPolarHBondContact O-CB 3.47Å; I280-K283 PolarHBondContact O-N 3.45Å; I280-L284 HydrophobicContact CG2-CD1 4.18Å; I280-L284 HydrophobicContact CG2-CG 4.46Å; I280-L284 WeakPolarHBondContact O-CG 3.48Å; I280-L284 PolarHBondContact O-N 3Å |
| 281 | D | 88.1 | Confident | 79.6 | Confident | 80 Ų | 80 | 113.5 Ų | 113.5 | 43% | 0.428 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.2 | -39.7 | 176.2 | -64.2 | -23.7 | 0 | 0 | 0 | 112.2 | E277 K283 L284 K285 | E277-D281 PolarHBondContact O-N 3.48Å; D281-K283 VanDerWaalsContact C-N 3.33Å; D281-K283 PolarHBondContact O-N 3.47Å; D281-L284 PolarHBondContact O-N 2.96Å; D281-K285 WeakPolarHBondContact O-CB 3.31Å; D281-K285 VanDerWaalsContact O-CG 3.29Å; D281-K285 WeakPolarHBondContact O-CG 3.15Å; D281-K285 PolarHBondContact O-N 2.85Å |
| 282 | K | 92.4 | Very high | 81.9 | Confident | 140 Ų | 140 | 112.2 Ų | 112.2 | 61% | 0.609 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.3 | -37.6 | 173.7 | -75.7 | 172.4 | -174.3 | -170.7 | 0 | 111.9 | K278 K279 I280 K286 | K278-K282 VanDerWaalsContact O-CD 3.31Å; K278-K282 WeakPolarHBondContact O-CD 3.46Å; K278-K282 WeakPolarHBondContact O-CG 3.42Å; K278-K282 PolarHBondContact O-N 2.89Å; K279-K282 PolarHBondContact O-N 3.49Å; I280-K282 VanDerWaalsContact C-N 3.31Å; I280-K282 PolarHBondContact O-N 3.42Å; K282-K286 WeakPolarHBondContact O-CB 3.44Å; K282-K286 VanDerWaalsContact O-CG 3.31Å; K282-K286 WeakPolarHBondContact O-CG 3.31Å; K282-K286 PolarHBondContact O-N 2.76Å |
| 283 | K | 94.7 | Very high | 84 | Confident | 156 Ų | 156 | 111.7 Ų | 111.7 | 68% | 0.678 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.5 | -44.7 | 175.7 | -174.3 | -177.9 | 177.1 | -174.7 | 0 | 111 | K279 I280 D281 K286 M287 | K279-K283 PolarHBondContact O-N 3.23Å; I280-K283 WeakPolarHBondContact O-CA 3.47Å; I280-K283 WeakPolarHBondContact O-CB 3.47Å; I280-K283 PolarHBondContact O-N 3.45Å; D281-K283 VanDerWaalsContact C-N 3.33Å; D281-K283 PolarHBondContact O-N 3.47Å; K283-K286 PolarHBondContact O-N 3.31Å; K283-M287 WeakPolarHBondContact O-CB 3.45Å; K283-M287 PolarHBondContact O-N 2.96Å |
| 284 | L | 92.6 | Very high | 86.2 | Confident | 90 Ų | 90 | 106 Ų | 106 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 176.7 | -70.7 | 172.7 | 0 | 0 | 0 | 111.4 | I280 D281 K286 M287 E288 | I280-L284 HydrophobicContact CG2-CD1 4.18Å; I280-L284 HydrophobicContact CG2-CG 4.46Å; I280-L284 WeakPolarHBondContact O-CG 3.48Å; I280-L284 PolarHBondContact O-N 3Å; D281-L284 PolarHBondContact O-N 2.96Å; L284-K286 PolarHBondContact O-N 2.7Å; L284-M287 HydrophobicContact CD2-CE 3.86Å; L284-M287 WeakPolarHBondContact O-CB 3.28Å; L284-M287 PolarHBondContact O-N 2.54Å; L284-E288 PolarHBondContact O-N 3.47Å |
| 285 | K | 95.4 | Very high | 88.2 | Confident | 145 Ų | 145 | 105.5 Ų | 105.5 | 63% | 0.63 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.6 | -43.2 | 175.2 | -72.2 | 176.7 | -178.1 | -173.2 | 0 | 112.5 | D281 E288 Q289 | D281-K285 WeakPolarHBondContact O-CB 3.31Å; D281-K285 VanDerWaalsContact O-CG 3.29Å; D281-K285 WeakPolarHBondContact O-CG 3.15Å; D281-K285 PolarHBondContact O-N 2.85Å; K285-E288 PolarHBondContact O-N 3.1Å; K285-Q289 WeakPolarHBondContact O-CB 3.02Å; K285-Q289 VanDerWaalsContact O-CG 3.25Å; K285-Q289 WeakPolarHBondContact O-CG 3.44Å; K285-Q289 PolarHBondContact O-N 3.08Å |
| 286 | K | 97.1 | Very high | 90.2 | Very high | 147 Ų | 147 | 107 Ų | 107 | 64% | 0.639 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.3 | -38 | 175.5 | -77.1 | -177.4 | 176.5 | -166.1 | 0 | 112.6 | K282 K283 L284 N290 | K282-K286 WeakPolarHBondContact O-CB 3.44Å; K282-K286 VanDerWaalsContact O-CG 3.31Å; K282-K286 WeakPolarHBondContact O-CG 3.31Å; K282-K286 PolarHBondContact O-N 2.76Å; K283-K286 PolarHBondContact O-N 3.31Å; L284-K286 PolarHBondContact O-N 2.7Å; K286-N290 WeakPolarHBondContact O-CB 3.12Å; K286-N290 PolarHBondContact O-N 3.16Å |
| 287 | M | 95.6 | Very high | 92 | Very high | 109 Ų | 109 | 113.3 Ų | 113.3 | 54% | 0.537 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 177 | -174 | 177.5 | 74 | 0 | 0 | 110.9 | K283 L284 N290 K291 | K283-M287 WeakPolarHBondContact O-CB 3.45Å; K283-M287 PolarHBondContact O-N 2.96Å; L284-M287 HydrophobicContact CD2-CE 3.86Å; L284-M287 WeakPolarHBondContact O-CB 3.28Å; L284-M287 PolarHBondContact O-N 2.54Å; M287-N290 PolarHBondContact O-N 3.02Å; M287-K291 WeakPolarHBondContact O-CB 3.49Å; M287-K291 PolarHBondContact O-N 3.37Å |
| 288 | E | 96.1 | Very high | 93.6 | Very high | 94 Ų | 94 | 116.5 Ų | 116.5 | 44% | 0.439 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 176.8 | -166.1 | 58.4 | -137.9 | 0 | 0 | 111.3 | L284 K285 N290 K291 T292 | L284-E288 PolarHBondContact O-N 3.47Å; K285-E288 PolarHBondContact O-N 3.1Å; E288-N290 PolarHBondContact O-N 3.36Å; E288-K291 WeakPolarHBondContact O-CB 3.14Å; E288-K291 PolarHBondContact O-N 2.91Å; E288-T292 PolarHBondContact O-N 3.48Å; E288-T292 PolarHBondContact O-OG1 3.35Å; E288-T292 VanDerWaalsContact O-OG1 3.05Å |
| 289 | Q | 97.6 | Very high | 94.8 | Very high | 134 Ų | 134 | 115 Ų | 115 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.6 | -44.5 | 175 | -75 | 174.7 | -11.4 | 0 | 0 | 112.4 | K285 K291 T292 A293 | K285-Q289 WeakPolarHBondContact O-CB 3.02Å; K285-Q289 VanDerWaalsContact O-CG 3.25Å; K285-Q289 WeakPolarHBondContact O-CG 3.44Å; K285-Q289 PolarHBondContact O-N 3.08Å; Q289-K291 VanDerWaalsContact C-N 3.34Å; Q289-T292 PolarHBondContact O-N 3.31Å; Q289-A293 VanDerWaalsContact O-CB 3.24Å; Q289-A293 WeakPolarHBondContact O-CB 3.28Å; Q289-A293 PolarHBondContact O-N 3.31Å |
| 290 | N | 97.5 | Very high | 95.8 | Very high | 115 Ų | 115 | 115.8 Ų | 115.8 | 62% | 0.615 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.3 | -38.9 | 177.1 | -177.4 | -103.4 | 0 | 0 | 0 | 111.6 | K286 M287 E288 A293 A294 | K286-N290 WeakPolarHBondContact O-CB 3.12Å; K286-N290 PolarHBondContact O-N 3.16Å; M287-N290 PolarHBondContact O-N 3.02Å; E288-N290 PolarHBondContact O-N 3.36Å; N290-A293 PolarHBondContact O-N 2.88Å; N290-A294 VanDerWaalsContact O-CB 3.24Å; N290-A294 WeakPolarHBondContact O-CB 3.31Å; N290-A294 PolarHBondContact O-N 3.41Å |
| 291 | K | 98.4 | Very high | 96.6 | Very high | 126 Ų | 126 | 115.4 Ų | 115.4 | 55% | 0.548 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.9 | -49.4 | 174.4 | -176.3 | -175.3 | 175.3 | -167.1 | 0 | 111.1 | M287 E288 Q289 A293 A294 T295 | M287-K291 WeakPolarHBondContact O-CB 3.49Å; M287-K291 PolarHBondContact O-N 3.37Å; E288-K291 WeakPolarHBondContact O-CB 3.14Å; E288-K291 PolarHBondContact O-N 2.91Å; Q289-K291 VanDerWaalsContact C-N 3.34Å; K291-A293 PolarHBondContact O-N 3.22Å; K291-A294 PolarHBondContact O-N 2.95Å; K291-T295 PolarHBondContact O-N 3.38Å; K291-T295 PolarHBondContact O-OG1 2.86Å |
| 292 | T | 97.6 | Very high | 97.1 | Very high | 62 Ų | 62 | 119.1 Ų | 119.1 | 38% | 0.38 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 176.4 | -50.3 | 0 | 0 | 0 | 0 | 111.5 | E288 Q289 T295 R296 | E288-T292 PolarHBondContact O-N 3.48Å; E288-T292 PolarHBondContact O-OG1 3.35Å; E288-T292 VanDerWaalsContact O-OG1 3.05Å; Q289-T292 PolarHBondContact O-N 3.31Å; T292-T295 PolarHBondContact O-N 3.43Å; T292-R296 WeakPolarHBondContact O-CB 3.45Å; T292-R296 WeakPolarHBondContact O-CG 3.41Å; T292-R296 PolarHBondContact O-N 2.88Å |
| 293 | A | 97.9 | Very high | 97.4 | Very high | 56 Ų | 56 | 115 Ų | 115 | 46% | 0.463 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q289 N290 K291 R296 Y297 | Q289-A293 VanDerWaalsContact O-CB 3.24Å; Q289-A293 WeakPolarHBondContact O-CB 3.28Å; Q289-A293 PolarHBondContact O-N 3.31Å; N290-A293 PolarHBondContact O-N 2.88Å; K291-A293 PolarHBondContact O-N 3.22Å; A293-R296 PolarHBondContact O-N 3.07Å; A293-Y297 WeakPolarHBondContact O-CB 3.45Å; A293-Y297 PolarHBondContact O-N 2.78Å |
| 294 | A | 98.4 | Very high | 97.6 | Very high | 36 Ų | 36 | 111.7 Ų | 111.7 | 30% | 0.298 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N290 K291 Y297 R298 | N290-A294 VanDerWaalsContact O-CB 3.24Å; N290-A294 WeakPolarHBondContact O-CB 3.31Å; N290-A294 PolarHBondContact O-N 3.41Å; K291-A294 PolarHBondContact O-N 2.95Å; A294-Y297 PolarHBondContact O-N 3.16Å; A294-R298 WeakPolarHBondContact O-CB 3.28Å; A294-R298 VanDerWaalsContact O-CG 3.32Å; A294-R298 WeakPolarHBondContact O-CG 3.49Å; A294-R298 PolarHBondContact O-N 3.05Å |
| 295 | T | 98.4 | Very high | 97.8 | Very high | 67 Ų | 67 | 112.9 Ų | 112.9 | 41% | 0.411 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64 | -48.3 | 175.5 | -62.5 | 0 | 0 | 0 | 0 | 111.4 | K291 T292 Y297 R298 Q299 | K291-T295 PolarHBondContact O-N 3.38Å; K291-T295 PolarHBondContact O-OG1 2.86Å; T292-T295 PolarHBondContact O-N 3.43Å; T295-Y297 VanDerWaalsContact C-N 3.33Å; T295-Y297 PolarHBondContact O-N 3.01Å; T295-R298 PolarHBondContact O-N 3Å; T295-Q299 HydrophobicContact CG2-CG 4.33Å; T295-Q299 WeakPolarHBondContact O-CB 3.31Å; T295-Q299 WeakPolarHBondContact O-CG 3.28Å; T295-Q299 PolarHBondContact O-N 3.38Å |
| 296 | R | 98.6 | Very high | 98 | Very high | 182 Ų | 182 | 112.7 Ų | 112.7 | 69% | 0.687 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.9 | -41.9 | 177.3 | -76.4 | -173 | 179.3 | -155.5 | -0.3 | 111.9 | T292 A293 Q299 K300 | T292-R296 WeakPolarHBondContact O-CB 3.45Å; T292-R296 WeakPolarHBondContact O-CG 3.41Å; T292-R296 PolarHBondContact O-N 2.88Å; A293-R296 PolarHBondContact O-N 3.07Å; R296-Q299 PolarHBondContact O-N 3.5Å; R296-K300 WeakPolarHBondContact O-CB 3.42Å; R296-K300 PolarHBondContact O-N 3.14Å |
| 297 | Y | 98.6 | Very high | 98 | Very high | 162 Ų | 162 | 108.8 Ų | 108.8 | 64% | 0.635 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.6 | -48.5 | 176 | 176.9 | -99.5 | 0 | 0 | 0 | 111.8 | A293 A294 T295 Q299 K300 K301 | A293-Y297 WeakPolarHBondContact O-CB 3.45Å; A293-Y297 PolarHBondContact O-N 2.78Å; A294-Y297 PolarHBondContact O-N 3.16Å; T295-Y297 VanDerWaalsContact C-N 3.33Å; T295-Y297 PolarHBondContact O-N 3.01Å; Y297-Q299 VanDerWaalsContact C-N 3.34Å; Y297-Q299 PolarHBondContact O-N 2.94Å; Y297-K300 PolarHBondContact O-N 3.42Å; Y297-K301 WeakPolarHBondContact O-CB 3.49Å; Y297-K301 PolarHBondContact O-N 3.35Å |
| 298 | R | 98.4 | Very high | 98.2 | Very high | 177 Ų | 177 | 107.7 Ų | 107.7 | 67% | 0.668 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.1 | -37.9 | 177.7 | -72.3 | 175.3 | 179.7 | -178.6 | -0.4 | 112.6 | A294 T295 R302 | A294-R298 WeakPolarHBondContact O-CB 3.28Å; A294-R298 VanDerWaalsContact O-CG 3.32Å; A294-R298 WeakPolarHBondContact O-CG 3.49Å; A294-R298 PolarHBondContact O-N 3.05Å; T295-R298 PolarHBondContact O-N 3Å; R298-R302 WeakPolarHBondContact O-CB 3.3Å; R298-R302 WeakPolarHBondContact O-CG 3.48Å; R298-R302 PolarHBondContact O-N 2.96Å |
| 299 | Q | 98.7 | Very high | 98.3 | Very high | 97 Ų | 97 | 105.5 Ų | 105.5 | 45% | 0.453 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -50.9 | 174.9 | -78.6 | 172.4 | -25.1 | 0 | 0 | 110.7 | T295 R296 Y297 K301 R302 A303 | T295-Q299 HydrophobicContact CG2-CG 4.33Å; T295-Q299 WeakPolarHBondContact O-CB 3.31Å; T295-Q299 WeakPolarHBondContact O-CG 3.28Å; T295-Q299 PolarHBondContact O-N 3.38Å; R296-Q299 PolarHBondContact O-N 3.5Å; Y297-Q299 VanDerWaalsContact C-N 3.34Å; Y297-Q299 PolarHBondContact O-N 2.94Å; Q299-K301 VanDerWaalsContact C-N 3.29Å; Q299-K301 PolarHBondContact O-N 3.21Å; Q299-R302 PolarHBondContact O-N 3.45Å; Q299-A303 PolarHBondContact O-N 3.4Å |
| 300 | K | 98.4 | Very high | 98.3 | Very high | 155 Ų | 155 | 100.1 Ų | 100.1 | 67% | 0.674 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -56 | -45.2 | 176.6 | -175.2 | 176.3 | 179.4 | 179.9 | 0 | 111.2 | R296 Y297 R302 A303 E304 | R296-K300 WeakPolarHBondContact O-CB 3.42Å; R296-K300 PolarHBondContact O-N 3.14Å; Y297-K300 PolarHBondContact O-N 3.42Å; K300-R302 PolarHBondContact O-N 3.17Å; K300-A303 PolarHBondContact O-N 2.9Å; K300-E304 WeakPolarHBondContact O-CB 3.37Å; K300-E304 PolarHBondContact O-N 3.46Å |
| 301 | K | 98.7 | Very high | 98.4 | Very high | 93 Ų | 93 | 100 Ų | 100 | 40% | 0.404 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.4 | -34.7 | -179.5 | -163.3 | 67.7 | -168.9 | 166.5 | 0 | 113.1 | Y297 Q299 E304 Q305 | Y297-K301 WeakPolarHBondContact O-CB 3.49Å; Y297-K301 PolarHBondContact O-N 3.35Å; Q299-K301 VanDerWaalsContact C-N 3.29Å; Q299-K301 PolarHBondContact O-N 3.21Å; K301-E304 IonicContact NZ-OE1 2.73Å; K301-E304 PolarHBondContact NZ-OE1 2.8Å; K301-E304 IonicContact NZ-OE2 3.42Å; K301-E304 PolarHBondContact NZ-OE2 3.12Å; K301-Q305 WeakPolarHBondContact O-CB 3.47Å; K301-Q305 PolarHBondContact O-N 3.29Å; K301-Q305 VanDerWaalsContact O-N 3.1Å |
| 302 | R | 98.6 | Very high | 98.3 | Very high | 158 Ų | 158 | 97.3 Ų | 97.3 | 60% | 0.596 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.6 | -44.5 | 172 | -80.1 | -174.4 | -65.7 | 131.7 | -5.5 | 111.8 | R298 Q299 K300 Q305 E306 | R298-R302 WeakPolarHBondContact O-CB 3.3Å; R298-R302 WeakPolarHBondContact O-CG 3.48Å; R298-R302 PolarHBondContact O-N 2.96Å; Q299-R302 PolarHBondContact O-N 3.45Å; K300-R302 PolarHBondContact O-N 3.17Å; R302-Q305 PolarHBondContact O-N 3.03Å; R302-E306 VanDerWaalsContact O-CB 3.28Å; R302-E306 WeakPolarHBondContact O-CB 3.48Å; R302-E306 PolarHBondContact O-N 3.23Å |
| 303 | A | 98.3 | Very high | 98.4 | Very high | 55 Ų | 55 | 102.5 Ų | 102.5 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q299 K300 E306 A307 | Q299-A303 PolarHBondContact O-N 3.4Å; K300-A303 PolarHBondContact O-N 2.9Å; A303-E306 PolarHBondContact O-N 2.89Å; A303-A307 WeakPolarHBondContact O-CB 3.38Å; A303-A307 PolarHBondContact O-N 2.87Å |
| 304 | E | 97.9 | Very high | 98.4 | Very high | 85 Ų | 85 | 104.9 Ų | 104.9 | 40% | 0.397 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 174.3 | -175.3 | -167.7 | 137.5 | 0 | 0 | 111.6 | K300 K301 E306 A307 L308 | K300-E304 WeakPolarHBondContact O-CB 3.37Å; K300-E304 PolarHBondContact O-N 3.46Å; K301-E304 IonicContact NZ-OE1 2.73Å; K301-E304 PolarHBondContact NZ-OE1 2.8Å; K301-E304 IonicContact NZ-OE2 3.42Å; K301-E304 PolarHBondContact NZ-OE2 3.12Å; E304-E306 VanDerWaalsContact C-N 3.34Å; E304-E306 PolarHBondContact O-N 2.79Å; E304-A307 PolarHBondContact O-N 3.48Å; E304-L308 WeakPolarHBondContact O-CG 3.31Å; E304-L308 PolarHBondContact O-N 3.29Å |
| 305 | Q | 98.4 | Very high | 98.4 | Very high | 116 Ų | 116 | 107.6 Ų | 107.6 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 177.1 | -174.6 | 63.5 | 38.9 | 0 | 0 | 112.1 | K301 R302 S309 | K301-Q305 WeakPolarHBondContact O-CB 3.47Å; K301-Q305 PolarHBondContact O-N 3.29Å; K301-Q305 VanDerWaalsContact O-N 3.1Å; R302-Q305 PolarHBondContact O-N 3.03Å; Q305-S309 VanDerWaalsContact O-CB 3.28Å; Q305-S309 WeakPolarHBondContact O-CB 3.44Å; Q305-S309 PolarHBondContact O-N 3.43Å; Q305-S309 PolarHBondContact O-OG 2.99Å |
| 306 | E | 98.1 | Very high | 98.4 | Very high | 140 Ų | 140 | 110.9 Ų | 110.9 | 65% | 0.654 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.9 | -44.4 | 178.9 | -175.2 | 170.1 | -169.4 | 0 | 0 | 111 | R302 A303 E304 S309 G310 | R302-E306 VanDerWaalsContact O-CB 3.28Å; R302-E306 WeakPolarHBondContact O-CB 3.48Å; R302-E306 PolarHBondContact O-N 3.23Å; A303-E306 PolarHBondContact O-N 2.89Å; E304-E306 VanDerWaalsContact C-N 3.34Å; E304-E306 PolarHBondContact O-N 2.79Å; E306-S309 WeakPolarHBondContact CA-OG 3.36Å; E306-S309 PolarHBondContact O-N 2.96Å; E306-S309 PolarHBondContact O-OG 2.96Å; E306-G310 PolarHBondContact O-N 3.45Å |
| 307 | A | 98.4 | Very high | 98.5 | Very high | 66 Ų | 66 | 108.9 Ų | 108.9 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.5 | -51.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A303 E304 S309 G310 E311 | A303-A307 WeakPolarHBondContact O-CB 3.38Å; A303-A307 PolarHBondContact O-N 2.87Å; E304-A307 PolarHBondContact O-N 3.48Å; A307-S309 VanDerWaalsContact C-N 3.34Å; A307-S309 PolarHBondContact O-N 3.06Å; A307-G310 PolarHBondContact O-N 3.32Å; A307-G310 VanDerWaalsContact O-N 3.17Å; A307-E311 PolarHBondContact O-N 3.34Å |
| 308 | L | 98.4 | Very high | 98.5 | Very high | 86 Ų | 86 | 106.6 Ų | 106.6 | 45% | 0.45 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 176.1 | -70.1 | 173.2 | 0 | 0 | 0 | 111.7 | E304 G310 E311 C312 | E304-L308 WeakPolarHBondContact O-CG 3.31Å; E304-L308 PolarHBondContact O-N 3.29Å; L308-G310 VanDerWaalsContact C-N 3.29Å; L308-G310 PolarHBondContact O-N 3.4Å; L308-E311 PolarHBondContact O-N 3.24Å; L308-C312 PolarHBondContact O-N 3.26Å; L308-C312 PolarHBondContact O-SG 3.31Å |
| 309 | S | 98.3 | Very high | 98.5 | Very high | 47 Ų | 47 | 103.3 Ų | 103.3 | 33% | 0.329 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.8 | -32.4 | 178.6 | 74.2 | 0 | 0 | 0 | 0 | 113.1 | Q305 E306 A307 R313 | Q305-S309 VanDerWaalsContact O-CB 3.28Å; Q305-S309 WeakPolarHBondContact O-CB 3.44Å; Q305-S309 PolarHBondContact O-N 3.43Å; Q305-S309 PolarHBondContact O-OG 2.99Å; E306-S309 WeakPolarHBondContact CA-OG 3.36Å; E306-S309 PolarHBondContact O-N 2.96Å; E306-S309 PolarHBondContact O-OG 2.96Å; A307-S309 VanDerWaalsContact C-N 3.34Å; A307-S309 PolarHBondContact O-N 3.06Å; S309-R313 WeakPolarHBondContact O-CB 3.34Å; S309-R313 PolarHBondContact O-N 2.89Å; S309-R313 VanDerWaalsContact O-N 3.12Å |
| 310 | G | 98.5 | Very high | 98.5 | Very high | 21 Ų | 21 | 103.2 Ų | 103.2 | 22% | 0.216 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -66.6 | -49 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | E306 A307 L308 C312 R313 E314 | E306-G310 PolarHBondContact O-N 3.45Å; A307-G310 PolarHBondContact O-N 3.32Å; A307-G310 VanDerWaalsContact O-N 3.17Å; L308-G310 VanDerWaalsContact C-N 3.29Å; L308-G310 PolarHBondContact O-N 3.4Å; G310-C312 PolarHBondContact O-N 3.29Å; G310-R313 PolarHBondContact O-N 2.82Å; G310-E314 WeakPolarHBondContact O-CG 3.28Å; G310-E314 PolarHBondContact O-N 3.18Å |
| 311 | E | 98.4 | Very high | 98.5 | Very high | 114 Ų | 114 | 97.8 Ų | 97.8 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 176.6 | -171.5 | -175.5 | 176.7 | 0 | 0 | 111.7 | A307 L308 R313 E314 L315 | A307-E311 PolarHBondContact O-N 3.34Å; L308-E311 PolarHBondContact O-N 3.24Å; E311-R313 VanDerWaalsContact C-N 3.34Å; E311-R313 PolarHBondContact O-N 2.93Å; E311-E314 PolarHBondContact O-N 3.03Å; E311-L315 HydrophobicContact CG-CD1 4.07Å; E311-L315 HydrophobicContact CG-CG 4.42Å; E311-L315 WeakPolarHBondContact O-CB 3.49Å; E311-L315 WeakPolarHBondContact O-CG 3.49Å; E311-L315 PolarHBondContact O-N 3.32Å |
| 312 | C | 98.2 | Very high | 98.5 | Very high | 69 Ų | 69 | 98.7 Ų | 98.7 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.5 | -48.1 | 175.8 | -68.8 | 0 | 0 | 0 | 0 | 111.6 | L308 G310 E314 L315 E316 | L308-C312 PolarHBondContact O-N 3.26Å; L308-C312 PolarHBondContact O-SG 3.31Å; G310-C312 PolarHBondContact O-N 3.29Å; C312-E314 VanDerWaalsContact C-N 3.34Å; C312-E314 PolarHBondContact O-N 3.41Å; C312-L315 PolarHBondContact O-N 2.73Å; C312-E316 WeakPolarHBondContact O-CB 3.4Å; C312-E316 VanDerWaalsContact O-CG 3.31Å; C312-E316 WeakPolarHBondContact O-CG 3.28Å; C312-E316 PolarHBondContact O-N 3.05Å |
| 313 | R | 98.4 | Very high | 98.5 | Very high | 170 Ų | 170 | 96.8 Ų | 96.8 | 64% | 0.642 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.1 | -42.9 | 179.1 | -174.3 | -171.8 | -60.3 | 144.5 | 4.8 | 111.8 | S309 G310 E311 E316 Q317 | S309-R313 WeakPolarHBondContact O-CB 3.34Å; S309-R313 PolarHBondContact O-N 2.89Å; S309-R313 VanDerWaalsContact O-N 3.12Å; G310-R313 PolarHBondContact O-N 2.82Å; E311-R313 VanDerWaalsContact C-N 3.34Å; E311-R313 PolarHBondContact O-N 2.93Å; R313-E316 PolarHBondContact O-N 2.92Å; R313-Q317 WeakPolarHBondContact O-CB 3.45Å; R313-Q317 PolarHBondContact O-N 2.86Å |
| 314 | E | 98.6 | Very high | 98.5 | Very high | 106 Ų | 106 | 99.4 Ų | 99.4 | 50% | 0.495 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 177.7 | -75.8 | -170.5 | -160.3 | 0 | 0 | 112.4 | G310 E311 C312 Q317 K318 | G310-E314 WeakPolarHBondContact O-CG 3.28Å; G310-E314 PolarHBondContact O-N 3.18Å; E311-E314 PolarHBondContact O-N 3.03Å; C312-E314 VanDerWaalsContact C-N 3.34Å; C312-E314 PolarHBondContact O-N 3.41Å; E314-Q317 PolarHBondContact O-N 3.42Å; E314-K318 WeakPolarHBondContact O-CB 3.44Å; E314-K318 VanDerWaalsContact O-CG 3.28Å; E314-K318 WeakPolarHBondContact O-CG 3.41Å; E314-K318 PolarHBondContact O-N 3.49Å; E314-K318 IonicContact OE2-NZ 3.47Å; E314-K318 PolarHBondContact OE2-NZ 2.84Å |
| 315 | L | 98.7 | Very high | 98.6 | Very high | 94 Ų | 94 | 101.8 Ų | 101.8 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 177.2 | -72.8 | 174.7 | 0 | 0 | 0 | 111.2 | E311 C312 K318 N319 | E311-L315 HydrophobicContact CG-CD1 4.07Å; E311-L315 HydrophobicContact CG-CG 4.42Å; E311-L315 WeakPolarHBondContact O-CB 3.49Å; E311-L315 WeakPolarHBondContact O-CG 3.49Å; E311-L315 PolarHBondContact O-N 3.32Å; C312-L315 PolarHBondContact O-N 2.73Å; L315-K318 PolarHBondContact O-N 3.37Å; L315-N319 VanDerWaalsContact O-CB 3.3Å; L315-N319 WeakPolarHBondContact O-CB 3.45Å; L315-N319 PolarHBondContact O-N 2.98Å |
| 316 | E | 98.7 | Very high | 98.6 | Very high | 135 Ų | 135 | 98.7 Ų | 98.7 | 63% | 0.631 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.7 | -45.2 | 173.6 | -75.8 | 172.3 | -173 | 0 | 0 | 111.6 | C312 R313 N319 Q320 | C312-E316 WeakPolarHBondContact O-CB 3.4Å; C312-E316 VanDerWaalsContact O-CG 3.31Å; C312-E316 WeakPolarHBondContact O-CG 3.28Å; C312-E316 PolarHBondContact O-N 3.05Å; R313-E316 PolarHBondContact O-N 2.92Å; E316-N319 PolarHBondContact O-N 3.27Å; E316-Q320 WeakPolarHBondContact O-CB 3.36Å; E316-Q320 PolarHBondContact O-N 3.39Å |
| 317 | Q | 98.8 | Very high | 98.6 | Very high | 141 Ų | 141 | 95.8 Ų | 95.8 | 66% | 0.659 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.1 | -44.5 | 177 | -171 | -176 | 36.4 | 0 | 0 | 111.9 | R313 E314 N319 Q320 A321 | R313-Q317 WeakPolarHBondContact O-CB 3.45Å; R313-Q317 PolarHBondContact O-N 2.86Å; E314-Q317 PolarHBondContact O-N 3.42Å; Q317-N319 VanDerWaalsContact C-N 3.32Å; Q317-N319 PolarHBondContact O-N 2.99Å; Q317-Q320 PolarHBondContact O-N 3.38Å; Q317-A321 WeakPolarHBondContact O-CB 3.4Å; Q317-A321 PolarHBondContact O-N 3.48Å |
| 318 | K | 98.7 | Very high | 98.6 | Very high | 113 Ų | 113 | 96 Ų | 96 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 176.1 | -73.9 | 165.2 | -172.5 | 143 | 0 | 110.8 | E314 L315 A321 L322 | E314-K318 WeakPolarHBondContact O-CB 3.44Å; E314-K318 VanDerWaalsContact O-CG 3.28Å; E314-K318 WeakPolarHBondContact O-CG 3.41Å; E314-K318 PolarHBondContact O-N 3.49Å; E314-K318 IonicContact OE2-NZ 3.47Å; E314-K318 PolarHBondContact OE2-NZ 2.84Å; L315-K318 PolarHBondContact O-N 3.37Å; K318-A321 PolarHBondContact O-N 3.45Å; K318-L322 VanDerWaalsContact O-CG 3.31Å; K318-L322 WeakPolarHBondContact O-CG 3.39Å; K318-L322 PolarHBondContact O-N 3.1Å |
| 319 | N | 98.7 | Very high | 98.7 | Very high | 109 Ų | 109 | 96.7 Ų | 96.7 | 58% | 0.583 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.9 | -47.8 | 177.5 | -166.8 | -48.1 | 0 | 0 | 0 | 111.3 | L315 E316 Q317 A321 L322 K323 | L315-N319 VanDerWaalsContact O-CB 3.3Å; L315-N319 WeakPolarHBondContact O-CB 3.45Å; L315-N319 PolarHBondContact O-N 2.98Å; E316-N319 PolarHBondContact O-N 3.27Å; Q317-N319 VanDerWaalsContact C-N 3.32Å; Q317-N319 PolarHBondContact O-N 2.99Å; N319-A321 PolarHBondContact O-N 2.89Å; N319-L322 PolarHBondContact O-N 3.34Å; N319-L322 VanDerWaalsContact O-N 3.17Å; N319-K323 WeakPolarHBondContact O-CB 3.48Å; N319-K323 PolarHBondContact O-N 3Å |
| 320 | Q | 98.8 | Very high | 98.7 | Very high | 94 Ų | 94 | 97.8 Ų | 97.8 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 177 | -178.6 | 57.7 | 27.3 | 0 | 0 | 111.8 | E316 Q317 L322 K323 E324 | E316-Q320 WeakPolarHBondContact O-CB 3.36Å; E316-Q320 PolarHBondContact O-N 3.39Å; Q317-Q320 PolarHBondContact O-N 3.38Å; Q320-L322 VanDerWaalsContact C-N 3.33Å; Q320-L322 PolarHBondContact O-N 3.28Å; Q320-K323 WeakPolarHBondContact O-CB 3.43Å; Q320-K323 PolarHBondContact O-N 2.94Å; Q320-E324 PolarHBondContact NE2-OE1 2.95Å; Q320-E324 WeakPolarHBondContact O-CG 3.41Å; Q320-E324 PolarHBondContact O-N 3.41Å |
| 321 | A | 98.8 | Very high | 98.7 | Very high | 41 Ų | 41 | 104 Ų | 104 | 34% | 0.339 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -37.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q317 K318 N319 K325 | Q317-A321 WeakPolarHBondContact O-CB 3.4Å; Q317-A321 PolarHBondContact O-N 3.48Å; K318-A321 PolarHBondContact O-N 3.45Å; N319-A321 PolarHBondContact O-N 2.89Å; A321-K325 WeakPolarHBondContact O-CG 3.25Å; A321-K325 PolarHBondContact O-N 2.88Å; A321-K325 VanDerWaalsContact O-N 3.07Å |
| 322 | L | 98.8 | Very high | 98.7 | Very high | 113 Ų | 113 | 103.9 Ų | 103.9 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.6 | -40 | 174.8 | -74 | 172.3 | 0 | 0 | 0 | 111.8 | K318 N319 Q320 K325 A326 | K318-L322 VanDerWaalsContact O-CG 3.31Å; K318-L322 WeakPolarHBondContact O-CG 3.39Å; K318-L322 PolarHBondContact O-N 3.1Å; N319-L322 PolarHBondContact O-N 3.34Å; N319-L322 VanDerWaalsContact O-N 3.17Å; Q320-L322 VanDerWaalsContact C-N 3.33Å; Q320-L322 PolarHBondContact O-N 3.28Å; L322-K325 PolarHBondContact O-N 3.45Å; L322-A326 WeakPolarHBondContact O-CB 3.41Å; L322-A326 PolarHBondContact O-N 2.86Å |
| 323 | K | 98.8 | Very high | 98.7 | Very high | 117 Ų | 117 | 104.8 Ų | 104.8 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 175.6 | -173 | 177.6 | 179.7 | -179.2 | 0 | 111.4 | N319 Q320 K325 A326 D327 | N319-K323 WeakPolarHBondContact O-CB 3.48Å; N319-K323 PolarHBondContact O-N 3Å; Q320-K323 WeakPolarHBondContact O-CB 3.43Å; Q320-K323 PolarHBondContact O-N 2.94Å; K323-K325 VanDerWaalsContact C-N 3.33Å; K323-K325 PolarHBondContact O-N 2.9Å; K323-A326 PolarHBondContact O-N 3.19Å; K323-D327 WeakPolarHBondContact O-CB 3.24Å; K323-D327 PolarHBondContact O-N 2.89Å |
| 324 | E | 98.8 | Very high | 98.7 | Very high | 111 Ų | 111 | 101 Ų | 101 | 52% | 0.519 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 175.4 | -72.7 | 170.1 | -166.7 | 0 | 0 | 112.4 | Q320 D327 S328 | Q320-E324 PolarHBondContact NE2-OE1 2.95Å; Q320-E324 WeakPolarHBondContact O-CG 3.41Å; Q320-E324 PolarHBondContact O-N 3.41Å; E324-D327 PolarHBondContact O-N 2.86Å; E324-S328 WeakPolarHBondContact O-CB 3.42Å; E324-S328 PolarHBondContact O-N 3.42Å |
| 325 | K | 98.8 | Very high | 98.8 | Very high | 135 Ų | 135 | 103.1 Ų | 103.1 | 59% | 0.587 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.6 | -44.8 | 173.6 | -75 | 174.8 | -178.5 | 177 | 0 | 111.8 | A321 L322 K323 D327 S328 L329 | A321-K325 WeakPolarHBondContact O-CG 3.25Å; A321-K325 PolarHBondContact O-N 2.88Å; A321-K325 VanDerWaalsContact O-N 3.07Å; L322-K325 PolarHBondContact O-N 3.45Å; K323-K325 VanDerWaalsContact C-N 3.33Å; K323-K325 PolarHBondContact O-N 2.9Å; K325-D327 VanDerWaalsContact C-N 3.34Å; K325-S328 PolarHBondContact O-N 3.41Å; K325-L329 WeakPolarHBondContact O-CG 3.36Å; K325-L329 PolarHBondContact O-N 2.83Å |
| 326 | A | 98.9 | Very high | 98.8 | Very high | 50 Ų | 50 | 102.5 Ų | 102.5 | 41% | 0.413 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L322 K323 L329 S330 | L322-A326 WeakPolarHBondContact O-CB 3.41Å; L322-A326 PolarHBondContact O-N 2.86Å; K323-A326 PolarHBondContact O-N 3.19Å; A326-L329 PolarHBondContact O-N 3.5Å; A326-S330 VanDerWaalsContact O-CB 3.31Å; A326-S330 WeakPolarHBondContact O-CB 3.32Å; A326-S330 PolarHBondContact O-N 3.44Å; A326-S330 PolarHBondContact O-OG 3.05Å |
| 327 | D | 98.8 | Very high | 98.8 | Very high | 79 Ų | 79 | 101.8 Ų | 101.8 | 42% | 0.422 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 176.4 | -72.5 | -18.7 | 0 | 0 | 0 | 111.6 | K323 E324 K325 S330 K331 | K323-D327 WeakPolarHBondContact O-CB 3.24Å; K323-D327 PolarHBondContact O-N 2.89Å; E324-D327 PolarHBondContact O-N 2.86Å; K325-D327 VanDerWaalsContact C-N 3.34Å; D327-S330 PolarHBondContact O-N 3.08Å; D327-K331 VanDerWaalsContact O-CG 3.31Å; D327-K331 WeakPolarHBondContact O-CG 3.4Å; D327-K331 PolarHBondContact O-N 2.9Å |
| 328 | S | 98.8 | Very high | 98.8 | Very high | 72 Ų | 72 | 98.2 Ų | 98.2 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 175.4 | -173.7 | 0 | 0 | 0 | 0 | 111.6 | E324 K325 S330 K331 E332 | E324-S328 WeakPolarHBondContact O-CB 3.42Å; E324-S328 PolarHBondContact O-N 3.42Å; K325-S328 PolarHBondContact O-N 3.41Å; S328-S330 VanDerWaalsContact C-N 3.3Å; S328-S330 PolarHBondContact O-N 3.03Å; S328-K331 PolarHBondContact O-N 3.43Å; S328-E332 PolarHBondContact O-N 2.87Å |
| 329 | L | 98.8 | Very high | 98.7 | Very high | 100 Ų | 100 | 96.2 Ų | 96.2 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 177 | -71.4 | 172.9 | 0 | 0 | 0 | 111.5 | K325 A326 K331 E332 I333 | K325-L329 WeakPolarHBondContact O-CG 3.36Å; K325-L329 PolarHBondContact O-N 2.83Å; A326-L329 PolarHBondContact O-N 3.5Å; L329-K331 VanDerWaalsContact C-N 3.31Å; L329-K331 PolarHBondContact O-N 3.39Å; L329-E332 PolarHBondContact O-N 2.9Å; L329-I333 WeakPolarHBondContact O-CB 3.24Å; L329-I333 VanDerWaalsContact O-CG1 3.26Å; L329-I333 WeakPolarHBondContact O-CG1 3.43Å; L329-I333 PolarHBondContact O-N 3.14Å |
| 330 | S | 98.8 | Very high | 98.7 | Very high | 69 Ų | 69 | 95 Ų | 95 | 48% | 0.483 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 176.9 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | A326 D327 S328 Q334 | A326-S330 VanDerWaalsContact O-CB 3.31Å; A326-S330 WeakPolarHBondContact O-CB 3.32Å; A326-S330 PolarHBondContact O-N 3.44Å; A326-S330 PolarHBondContact O-OG 3.05Å; D327-S330 PolarHBondContact O-N 3.08Å; S328-S330 VanDerWaalsContact C-N 3.3Å; S328-S330 PolarHBondContact O-N 3.03Å; S330-Q334 WeakPolarHBondContact O-CB 3.32Å; S330-Q334 PolarHBondContact O-N 3.03Å |
| 331 | K | 98.8 | Very high | 98.7 | Very high | 152 Ų | 152 | 94.7 Ų | 94.7 | 66% | 0.661 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.5 | -41.8 | 175.1 | -71.7 | 168.8 | -175.3 | 172.1 | 0 | 112.2 | D327 S328 L329 Q334 Y335 | D327-K331 VanDerWaalsContact O-CG 3.31Å; D327-K331 WeakPolarHBondContact O-CG 3.4Å; D327-K331 PolarHBondContact O-N 2.9Å; S328-K331 PolarHBondContact O-N 3.43Å; L329-K331 VanDerWaalsContact C-N 3.31Å; L329-K331 PolarHBondContact O-N 3.39Å; K331-Q334 PolarHBondContact O-N 3.43Å; K331-Y335 WeakPolarHBondContact O-CB 3.31Å; K331-Y335 PolarHBondContact O-N 3.36Å |
| 332 | E | 98.7 | Very high | 98.6 | Very high | 111 Ų | 111 | 98.7 Ų | 98.7 | 52% | 0.519 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 177.2 | -175.4 | 175.4 | -177.7 | 0 | 0 | 111.6 | S328 L329 Q334 Y335 L336 | S328-E332 PolarHBondContact O-N 2.87Å; L329-E332 PolarHBondContact O-N 2.9Å; E332-Q334 VanDerWaalsContact C-N 3.28Å; E332-Q334 PolarHBondContact O-N 2.86Å; E332-Y335 PolarHBondContact O-N 2.92Å; E332-L336 HydrophobicContact CG-CD1 4.39Å; E332-L336 WeakPolarHBondContact O-CG 3.49Å; E332-L336 PolarHBondContact O-N 3.42Å |
| 333 | I | 98.7 | Very high | 98.6 | Very high | 89 Ų | 89 | 97.6 Ų | 97.6 | 46% | 0.456 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 174.2 | -69.7 | 165.7 | 0 | 0 | 0 | 110.3 | L329 L336 K337 | L329-I333 WeakPolarHBondContact O-CB 3.24Å; L329-I333 VanDerWaalsContact O-CG1 3.26Å; L329-I333 WeakPolarHBondContact O-CG1 3.43Å; L329-I333 PolarHBondContact O-N 3.14Å; I333-L336 PolarHBondContact O-N 3.5Å; I333-K337 HydrophobicContact CG2-CD 4.08Å; I333-K337 HydrophobicContact CG2-CG 4.46Å; I333-K337 WeakPolarHBondContact O-CB 3.22Å; I333-K337 VanDerWaalsContact O-CG 3.28Å; I333-K337 WeakPolarHBondContact O-CG 3.29Å; I333-K337 PolarHBondContact O-N 2.85Å |
| 334 | Q | 98.8 | Very high | 98.4 | Very high | 90 Ų | 90 | 100.2 Ų | 100.2 | 42% | 0.421 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 178.2 | -172.6 | 57.8 | 42.3 | 0 | 0 | 111.5 | S330 K331 E332 L336 K337 D338 | S330-Q334 WeakPolarHBondContact O-CB 3.32Å; S330-Q334 PolarHBondContact O-N 3.03Å; K331-Q334 PolarHBondContact O-N 3.43Å; E332-Q334 VanDerWaalsContact C-N 3.28Å; E332-Q334 PolarHBondContact O-N 2.86Å; Q334-L336 VanDerWaalsContact C-N 3.32Å; Q334-L336 PolarHBondContact O-N 3.42Å; Q334-K337 WeakPolarHBondContact O-CB 3.34Å; Q334-K337 PolarHBondContact O-N 3.44Å; Q334-K337 VanDerWaalsContact O-N 3.12Å; Q334-D338 PolarHBondContact NE2-OD1 3.38Å; Q334-D338 PolarHBondContact NE2-OD2 2.86Å; Q334-D338 VanDerWaalsContact O-CG 3.29Å; Q334-D338 PolarHBondContact O-N 3.31Å |
| 335 | Y | 98.8 | Very high | 98.3 | Very high | 150 Ų | 150 | 99.9 Ų | 99.9 | 59% | 0.588 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -57.1 | -45.2 | 176.6 | 175.3 | -103 | 0 | 0 | 0 | 112.1 | K331 E332 D338 L339 | K331-Y335 WeakPolarHBondContact O-CB 3.31Å; K331-Y335 PolarHBondContact O-N 3.36Å; E332-Y335 PolarHBondContact O-N 2.92Å; Y335-D338 PolarHBondContact O-N 2.91Å; Y335-L339 HydrophobicContact CE1-CD2 4.48Å; Y335-L339 WeakPolarHBondContact O-CB 3.32Å; Y335-L339 PolarHBondContact O-N 3.36Å |
| 336 | L | 98.8 | Very high | 98.1 | Very high | 81 Ų | 81 | 95.7 Ų | 95.7 | 42% | 0.424 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 177 | -68.6 | 176.4 | 0 | 0 | 0 | 112.1 | E332 I333 Q334 I340 | E332-L336 HydrophobicContact CG-CD1 4.39Å; E332-L336 WeakPolarHBondContact O-CG 3.49Å; E332-L336 PolarHBondContact O-N 3.42Å; I333-L336 PolarHBondContact O-N 3.5Å; Q334-L336 VanDerWaalsContact C-N 3.32Å; Q334-L336 PolarHBondContact O-N 3.42Å; L336-I340 WeakPolarHBondContact O-CB 3.43Å; L336-I340 WeakPolarHBondContact O-CD1 3.39Å; L336-I340 WeakPolarHBondContact O-CG1 3.47Å; L336-I340 PolarHBondContact O-N 3.21Å |
| 337 | K | 98.7 | Very high | 97.8 | Very high | 120 Ų | 120 | 100.7 Ų | 100.7 | 52% | 0.522 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.3 | -47.9 | 174.6 | -77.3 | 172.1 | 177.8 | 175.9 | 0 | 111.1 | I333 Q334 I340 E341 | I333-K337 HydrophobicContact CG2-CD 4.08Å; I333-K337 HydrophobicContact CG2-CG 4.46Å; I333-K337 WeakPolarHBondContact O-CB 3.22Å; I333-K337 VanDerWaalsContact O-CG 3.28Å; I333-K337 WeakPolarHBondContact O-CG 3.29Å; I333-K337 PolarHBondContact O-N 2.85Å; Q334-K337 WeakPolarHBondContact O-CB 3.34Å; Q334-K337 PolarHBondContact O-N 3.44Å; Q334-K337 VanDerWaalsContact O-N 3.12Å; K337-I340 PolarHBondContact O-N 2.88Å; K337-E341 WeakPolarHBondContact O-CB 3.5Å; K337-E341 PolarHBondContact O-N 3.16Å |
| 338 | D | 98.6 | Very high | 97.4 | Very high | 67 Ų | 67 | 98.9 Ų | 98.9 | 36% | 0.358 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -45 | -179.2 | -65.4 | -21.4 | 0 | 0 | 0 | 110.6 | Q334 Y335 I340 E341 E342 | Q334-D338 PolarHBondContact NE2-OD1 3.38Å; Q334-D338 PolarHBondContact NE2-OD2 2.86Å; Q334-D338 VanDerWaalsContact O-CG 3.29Å; Q334-D338 PolarHBondContact O-N 3.31Å; Y335-D338 PolarHBondContact O-N 2.91Å; D338-I340 PolarHBondContact O-N 2.99Å; D338-E341 WeakPolarHBondContact O-CB 3.31Å; D338-E341 PolarHBondContact O-N 3.04Å; D338-E341 VanDerWaalsContact O-N 3.09Å; D338-E342 WeakPolarHBondContact O-CG 3.49Å; D338-E342 PolarHBondContact O-N 3.05Å |
| 339 | L | 98.6 | Very high | 96.8 | Very high | 70 Ų | 70 | 103.1 Ų | 103.1 | 37% | 0.366 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.1 | -46.3 | 175.9 | -179.8 | 63.1 | 0 | 0 | 0 | 112.2 | Y335 E341 E342 V343 | Y335-L339 HydrophobicContact CE1-CD2 4.48Å; Y335-L339 WeakPolarHBondContact O-CB 3.32Å; Y335-L339 PolarHBondContact O-N 3.36Å; L339-E341 VanDerWaalsContact C-N 3.29Å; L339-E341 PolarHBondContact O-N 2.89Å; L339-E342 PolarHBondContact O-N 3.1Å; L339-V343 VanDerWaalsContact O-CG2 3.31Å; L339-V343 WeakPolarHBondContact O-CG2 3.47Å; L339-V343 PolarHBondContact O-N 3.02Å |
| 340 | I | 98.3 | Very high | 95.8 | Very high | 85 Ų | 85 | 108.1 Ų | 108.1 | 44% | 0.436 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 177.6 | -66.6 | 166 | 0 | 0 | 0 | 110.3 | L336 K337 D338 V343 R344 | L336-I340 WeakPolarHBondContact O-CB 3.43Å; L336-I340 WeakPolarHBondContact O-CD1 3.39Å; L336-I340 WeakPolarHBondContact O-CG1 3.47Å; L336-I340 PolarHBondContact O-N 3.21Å; K337-I340 PolarHBondContact O-N 2.88Å; D338-I340 PolarHBondContact O-N 2.99Å; I340-V343 PolarHBondContact O-N 2.97Å; I340-R344 VanDerWaalsContact CG2-NH2 3.35Å; I340-R344 WeakPolarHBondContact O-CG 3.44Å; I340-R344 PolarHBondContact O-N 2.94Å |
| 341 | E | 98.2 | Very high | 94.7 | Very high | 86 Ų | 86 | 109 Ų | 109 | 40% | 0.402 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 177.1 | -157.9 | -161.4 | -175.2 | 0 | 0 | 112 | K337 D338 L339 V343 R344 K345 | K337-E341 WeakPolarHBondContact O-CB 3.5Å; K337-E341 PolarHBondContact O-N 3.16Å; D338-E341 WeakPolarHBondContact O-CB 3.31Å; D338-E341 PolarHBondContact O-N 3.04Å; D338-E341 VanDerWaalsContact O-N 3.09Å; L339-E341 VanDerWaalsContact C-N 3.29Å; L339-E341 PolarHBondContact O-N 2.89Å; E341-V343 PolarHBondContact O-N 3.05Å; E341-R344 PolarHBondContact O-N 3.01Å; E341-K345 VanDerWaalsContact CD-CE 3.46Å; E341-K345 HydrophobicContact CG-CD 4.4Å; E341-K345 WeakPolarHBondContact O-CB 3.15Å; E341-K345 WeakPolarHBondContact O-CG 3.28Å; E341-K345 PolarHBondContact O-N 3.08Å; E341-K345 WeakPolarHBondContact OE1-CE 3.29Å; E341-K345 IonicContact OE1-NZ 2.82Å; E341-K345 PolarHBondContact OE1-NZ 3.24Å; E341-K345 IonicContact OE2-NZ 3.02Å; E341-K345 PolarHBondContact OE2-NZ 3.49Å |
| 342 | E | 97.6 | Very high | 93.4 | Very high | 125 Ų | 125 | 112.7 Ų | 112.7 | 58% | 0.584 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.6 | -45.6 | 175.1 | -73.4 | -178.1 | 178.4 | 0 | 0 | 111.9 | D338 L339 R344 K345 A346 | D338-E342 WeakPolarHBondContact O-CG 3.49Å; D338-E342 PolarHBondContact O-N 3.05Å; L339-E342 PolarHBondContact O-N 3.1Å; E342-R344 PolarHBondContact O-N 3.45Å; E342-K345 PolarHBondContact O-N 3.48Å; E342-A346 WeakPolarHBondContact O-CB 3.37Å; E342-A346 PolarHBondContact O-N 3.37Å |
| 343 | V | 97.4 | Very high | 91.4 | Very high | 91 Ų | 91 | 109.6 Ų | 109.6 | 55% | 0.552 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.7 | -43.2 | 176.5 | 171 | 0 | 0 | 0 | 0 | 111.1 | L339 I340 E341 A346 K347 | L339-V343 VanDerWaalsContact O-CG2 3.31Å; L339-V343 WeakPolarHBondContact O-CG2 3.47Å; L339-V343 PolarHBondContact O-N 3.02Å; I340-V343 PolarHBondContact O-N 2.97Å; E341-V343 PolarHBondContact O-N 3.05Å; V343-A346 PolarHBondContact O-N 3.03Å; V343-K347 WeakPolarHBondContact O-CB 3.48Å; V343-K347 PolarHBondContact O-N 3.3Å |
| 344 | R | 95.8 | Very high | 89.7 | Confident | 171 Ų | 171 | 111.7 Ų | 111.7 | 65% | 0.645 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.2 | -45.4 | 175.1 | -74.6 | -172.2 | -162.1 | 115.8 | -2 | 111.5 | I340 E341 E342 K347 G348 | I340-R344 VanDerWaalsContact CG2-NH2 3.35Å; I340-R344 WeakPolarHBondContact O-CG 3.44Å; I340-R344 PolarHBondContact O-N 2.94Å; E341-R344 PolarHBondContact O-N 3.01Å; E342-R344 PolarHBondContact O-N 3.45Å; R344-K347 PolarHBondContact O-N 3.2Å; R344-G348 PolarHBondContact O-N 3.03Å |
| 345 | K | 95.6 | Very high | 87.3 | Confident | 105 Ų | 105 | 120.3 Ų | 120.3 | 46% | 0.457 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.2 | -45.6 | 177 | -75.8 | 170.9 | -179.7 | 163.1 | 0 | 111.2 | E341 E342 G348 K349 | E341-K345 VanDerWaalsContact CD-CE 3.46Å; E341-K345 HydrophobicContact CG-CD 4.4Å; E341-K345 WeakPolarHBondContact O-CB 3.15Å; E341-K345 WeakPolarHBondContact O-CG 3.28Å; E341-K345 PolarHBondContact O-N 3.08Å; E341-K345 WeakPolarHBondContact OE1-CE 3.29Å; E341-K345 IonicContact OE1-NZ 2.82Å; E341-K345 PolarHBondContact OE1-NZ 3.24Å; E341-K345 IonicContact OE2-NZ 3.02Å; E341-K345 PolarHBondContact OE2-NZ 3.49Å; E342-K345 PolarHBondContact O-N 3.48Å; K345-G348 PolarHBondContact O-N 2.94Å; K345-K349 VanDerWaalsContact O-CG 3.3Å; K345-K349 WeakPolarHBondContact O-CG 3.42Å; K345-K349 PolarHBondContact O-N 2.73Å |
| 346 | A | 95.3 | Very high | 86.7 | Confident | 47 Ų | 47 | 118.9 Ų | 118.9 | 39% | 0.388 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.1 | -44.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | E342 V343 K349 R350 | E342-A346 WeakPolarHBondContact O-CB 3.37Å; E342-A346 PolarHBondContact O-N 3.37Å; V343-A346 PolarHBondContact O-N 3.03Å; A346-K349 PolarHBondContact O-N 3.16Å; A346-R350 WeakPolarHBondContact O-CG 3.41Å; A346-R350 PolarHBondContact O-N 3.41Å |
| 347 | K | 93.1 | Very high | 86.1 | Confident | 155 Ų | 155 | 120.8 Ų | 120.8 | 67% | 0.674 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.5 | -41 | 177.5 | -170.5 | 171.4 | 179.2 | 170.4 | 0 | 112.2 | V343 R344 K349 R350 A351 | V343-K347 WeakPolarHBondContact O-CB 3.48Å; V343-K347 PolarHBondContact O-N 3.3Å; R344-K347 PolarHBondContact O-N 3.2Å; K347-K349 VanDerWaalsContact C-N 3.33Å; K347-K349 PolarHBondContact O-N 3.01Å; K347-R350 PolarHBondContact O-N 3.29Å; K347-A351 PolarHBondContact O-N 3.06Å |
| 348 | G | 89.8 | Confident | 85.4 | Confident | 41 Ų | 41 | 120.9 Ų | 120.9 | 42% | 0.423 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.4 | -37.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R344 K345 A351 | R344-G348 PolarHBondContact O-N 3.03Å; K345-G348 PolarHBondContact O-N 2.94Å; G348-A351 PolarHBondContact O-N 3.38Å |
| 349 | K | 85.9 | Confident | 84.6 | Confident | 161 Ų | 161 | 124.1 Ų | 124.1 | 70% | 0.7 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66 | -39.4 | 174.6 | -71.6 | 173.3 | -177.5 | -175.2 | 0 | 112.4 | K345 A346 K347 A351 R352 | K345-K349 VanDerWaalsContact O-CG 3.3Å; K345-K349 WeakPolarHBondContact O-CG 3.42Å; K345-K349 PolarHBondContact O-N 2.73Å; A346-K349 PolarHBondContact O-N 3.16Å; K347-K349 VanDerWaalsContact C-N 3.33Å; K347-K349 PolarHBondContact O-N 3.01Å; K349-A351 VanDerWaalsContact C-N 3.32Å; K349-A351 PolarHBondContact O-N 3.21Å; K349-R352 PolarHBondContact O-N 3.41Å |
| 350 | R | 78.3 | Confident | 83.8 | Confident | 205 Ų | 205 | 127.4 Ų | 127.4 | 77% | 0.774 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70.3 | -26.4 | 178.2 | -60.7 | -148.7 | -60.4 | -107.7 | 7.4 | 113.7 | A346 K347 R352 | A346-R350 WeakPolarHBondContact O-CG 3.41Å; A346-R350 PolarHBondContact O-N 3.41Å; K347-R350 PolarHBondContact O-N 3.29Å; R350-R352 VanDerWaalsContact C-N 3.28Å |
| 351 | A | 74.4 | Confident | 82.8 | Confident | 88 Ų | 88 | 130.3 Ų | 130.3 | 73% | 0.727 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -12.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K347 G348 K349 | K347-A351 PolarHBondContact O-N 3.06Å; G348-A351 PolarHBondContact O-N 3.38Å; K349-A351 VanDerWaalsContact C-N 3.32Å; K349-A351 PolarHBondContact O-N 3.21Å |
| 352 | R | 71.8 | Confident | 81.7 | Confident | 228 Ų | 228 | 133.4 Ų | 133.4 | 86% | 0.86 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | 34.2 | 173.5 | -63.4 | -161.8 | -167.6 | -117.6 | 8.6 | 112.3 | K349 R350 | K349-R352 PolarHBondContact O-N 3.41Å; R350-R352 VanDerWaalsContact C-N 3.28Å |
| 353 | G | 57.8 | Low | 80.5 | Confident | 46 Ų | 46 | 134.1 Ų | 134.1 | 47% | 0.474 | 68% | 0.678 | S | S | . | * | trans | -66.3 | 151.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E355 | G353-E355 PolarHBondContact O-N 3.42Š| ||
| 354 | P | 62.2 | Low | 79.1 | Confident | 134 Ų | 134 | 137.7 Ų | 137.7 | 87% | 0.87 | 69% | 0.688 | S | S | * | * | trans | -66.6 | 130.6 | -170.1 | 28.9 | -32.9 | 0 | 0 | 0 | 111 | ||||
| 355 | E | 48.9 | Very low | 77.5 | Confident | 271 Ų | 271 | 134.6 Ų | 134.6 | 100% | 1.266 | 69% | 0.692 | S | S | * | * | trans | -69.7 | 0 | 163.3 | -80.8 | -164.3 | 149.1 | 0 | 0 | 111.7 | G353 | G353-E355 PolarHBondContact O-N 3.42Š|
Retrieved 355 of 355 residues in 199.4 ms
(Link to these results)