| 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 | 54.7 | Low | 48.8 | Very low | 239 Ų | 239 | 157.9 Ų | 157.9 | 100% | 1.177 | 84% | 0.837 | S | S | * | * | 0 | 120.2 | 0 | -87.8 | -167.1 | 159.6 | 0 | 0 | 108.5 | |||||
| 2 | C | 45.2 | Very low | 48.9 | Very low | 111 Ų | 111 | 153.3 Ų | 153.3 | 75% | 0.75 | 84% | 0.837 | S | S | * | * | trans | 41.3 | 103 | 156 | -54.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 3 | N | 41.6 | Very low | 48.4 | Very low | 146 Ų | 146 | 152.8 Ų | 152.8 | 78% | 0.781 | 83% | 0.833 | S | S | * | * | 82.5 | 117.7 | 76 | -77.8 | -7.9 | 0 | 0 | 0 | 113.8 | |||||
| 4 | L | 54.4 | Low | 48.3 | Very low | 172 Ų | 172 | 151.6 Ų | 151.6 | 90% | 0.901 | 84% | 0.839 | S | S | * | * | 147.7 | 116.1 | 120.2 | -86.7 | 132.5 | 0 | 0 | 0 | 113.6 | |||||
| 5 | L | 49.3 | Very low | 48 | Very low | 143 Ų | 143 | 147.7 Ų | 147.7 | 75% | 0.749 | 83% | 0.827 | S | S | * | * | trans | -68.7 | 171.9 | 162.8 | -95.2 | 127.3 | 0 | 0 | 0 | 111.8 | ||||
| 6 | P | 59.9 | Low | 47.5 | Very low | 130 Ų | 130 | 150 Ų | 150 | 84% | 0.844 | 83% | 0.829 | S | S | * | * | -139.1 | 149.3 | 99.7 | 32.6 | -16.4 | 0 | 0 | 0 | 116.4 | |||||
| 7 | N | 45.7 | Very low | 47.4 | Very low | 119 Ų | 119 | 146.7 Ų | 146.7 | 64% | 0.636 | 83% | 0.826 | S | S | * | * | trans | -57 | 150.6 | 169 | -87.5 | -34.1 | 0 | 0 | 0 | 114.6 | ||||
| 8 | Y | 52.1 | Low | 46.9 | Very low | 240 Ų | 240 | 151.3 Ų | 151.3 | 94% | 0.941 | 83% | 0.83 | S | S | * | * | trans | -145.7 | 120 | 133 | -100.3 | -81.7 | 0 | 0 | 0 | 110.5 | ||||
| 9 | Q | 41.4 | Very low | 47 | Very low | 167 Ų | 167 | 153.6 Ų | 153.6 | 78% | 0.78 | 84% | 0.835 | S | S | * | * | trans | -88.9 | 136.3 | 166.7 | -78.9 | 168 | -43 | 0 | 0 | 109.1 | ||||
| 10 | V | 51.9 | Low | 46.8 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 89% | 0.885 | 83% | 0.828 | S | S | * | * | trans | -139.3 | 116.6 | 148.1 | 177.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 11 | T | 40.2 | Very low | 46.4 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 76% | 0.761 | 83% | 0.825 | S | S | * | * | trans | -76 | 142.9 | 169.5 | 32.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 12 | A | 50.7 | Low | 46 | Very low | 102 Ų | 102 | 145 Ų | 145 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -140.8 | 111 | 151.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 13 | D | 41.5 | Very low | 45.9 | Very low | 147 Ų | 147 | 148 Ų | 148 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -59.1 | 144.3 | 166.8 | -71.9 | -50.7 | 0 | 0 | 0 | 111.4 | ||||
| 14 | C | 46.9 | Very low | 46 | Very low | 136 Ų | 136 | 148.8 Ų | 148.8 | 92% | 0.919 | 81% | 0.805 | S | S | * | * | trans | -171.2 | 87.3 | 140.7 | -102.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 15 | S | 44 | Very low | 45.4 | Very low | 94 Ų | 94 | 145.6 Ų | 145.6 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | trans | -78.2 | 152.6 | 162.9 | 46.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 16 | E | 40.3 | Very low | 45.6 | Very low | 184 Ų | 184 | 148 Ų | 148 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | 63.3 | 115.8 | 148.6 | -73.1 | 172.8 | 152.6 | 0 | 0 | 119.5 | ||||
| 17 | A | 45.6 | Very low | 44.6 | Very low | 94 Ų | 94 | 147.2 Ų | 147.2 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | -173 | 132.6 | 93.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 18 | Y | 39.6 | Very low | 45 | Very low | 229 Ų | 229 | 146.7 Ų | 146.7 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | -71.2 | 133.2 | 163.5 | -77 | -103.4 | 0 | 0 | 0 | 108.8 | ||||
| 19 | E | 47.8 | Very low | 45 | Very low | 196 Ų | 196 | 141.6 Ų | 141.6 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | -124 | 109.9 | 158.3 | -81.4 | -170.5 | 167.9 | 0 | 0 | 110.3 | ||||
| 20 | T | 43.6 | Very low | 45.2 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 69% | 0.693 | 78% | 0.784 | S | S | * | * | trans | -68.8 | 155 | 168.7 | 29.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 21 | D | 38.1 | Very low | 44.9 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | 64.6 | 118.5 | 145.4 | -60.3 | -21.2 | 0 | 0 | 0 | 120.9 | ||||
| 22 | S | 46.3 | Very low | 45.4 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -135.4 | 78.4 | 150.8 | -163.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 23 | E | 42.5 | Very low | 45.3 | Very low | 172 Ų | 172 | 146.7 Ų | 146.7 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -73.1 | 127.2 | 155.3 | -78.2 | -173.2 | 148.7 | 0 | 0 | 108.8 | ||||
| 24 | F | 44 | Very low | 45.4 | Very low | 164 Ų | 164 | 144.1 Ų | 144.1 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | trans | -117.4 | 86.9 | 164.5 | -107.3 | -82.4 | 0 | 0 | 0 | 109.1 | Y26 | F24-Y26 AromaticContact CD1-CD2 3.85Å; F24-Y26 HydrophobicContact CD1-CD2 3.85Å; F24-Y26 AromaticContact CD1-CE2 3.73Å; F24-Y26 HydrophobicContact CD1-CE2 3.73Å; F24-Y26 HydrophobicContact CE1-CD2 4.2Å; F24-Y26 AromaticContact CE1-CE2 3.6Å; F24-Y26 HydrophobicContact CE1-CE2 3.6Å | ||
| 25 | S | 41.4 | Very low | 45.6 | Very low | 104 Ų | 104 | 147.4 Ų | 147.4 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -102.9 | 104.1 | 162.1 | -61.4 | 0 | 0 | 0 | 0 | 108.2 | S27 | S25-S27 PolarHBondContact O-N 3.46Š| ||
| 26 | Y | 54.1 | Low | 45.6 | Very low | 193 Ų | 193 | 151.7 Ų | 151.7 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | trans | -76.1 | 118.2 | 172.2 | -105.6 | -85.6 | 0 | 0 | 0 | 110.2 | F24 V28 | F24-Y26 AromaticContact CD1-CD2 3.85Å; F24-Y26 HydrophobicContact CD1-CD2 3.85Å; F24-Y26 AromaticContact CD1-CE2 3.73Å; F24-Y26 HydrophobicContact CD1-CE2 3.73Å; F24-Y26 HydrophobicContact CE1-CD2 4.2Å; F24-Y26 AromaticContact CE1-CE2 3.6Å; F24-Y26 HydrophobicContact CE1-CE2 3.6Å; Y26-V28 HydrophobicContact CD1-CG2 4.33Å | ||
| 27 | S | 39.1 | Very low | 45.6 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -116.5 | 124.4 | 163.3 | -68.5 | 0 | 0 | 0 | 0 | 109.5 | S25 | S25-S27 PolarHBondContact O-N 3.46Š| ||
| 28 | V | 53.4 | Low | 45.8 | Very low | 107 Ų | 107 | 149.2 Ų | 149.2 | 65% | 0.648 | 77% | 0.774 | S | S | * | * | trans | -158.9 | 125.1 | 172.8 | 176.6 | 0 | 0 | 0 | 0 | 103.5 | Y26 | Y26-V28 HydrophobicContact CD1-CG2 4.33Š| ||
| 29 | D | 53.4 | Low | 45.8 | Very low | 134 Ų | 134 | 147.6 Ų | 147.6 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | cis | -157.8 | 137.7 | 14.6 | -102.4 | -34.9 | 0 | 0 | 0 | 110 | ||||
| 30 | K | 45.3 | Very low | 45.8 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | 31.7 | 130 | 130.1 | -70.5 | -176.5 | 178.4 | 178.1 | 0 | 124 | ||||
| 31 | D | 45.2 | Very low | 45.6 | Very low | 134 Ų | 134 | 152.3 Ų | 152.3 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | trans | 73.6 | 106.8 | 134.8 | -56 | -28.7 | 0 | 0 | 0 | 120.9 | ||||
| 32 | L | 50.1 | Low | 46.1 | Very low | 151 Ų | 151 | 150.6 Ų | 150.6 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | -178.8 | 117.7 | 106.1 | -114.6 | 87.3 | 0 | 0 | 0 | 113.2 | |||||
| 33 | K | 49.2 | Very low | 46.1 | Very low | 188 Ų | 188 | 154 Ų | 154 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | trans | 55.8 | 112.4 | 137.3 | -69.8 | 176.8 | 178.3 | 175.1 | 0 | 122.5 | ||||
| 34 | S | 43.4 | Very low | 46.2 | Very low | 92 Ų | 92 | 153.2 Ų | 153.2 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | trans | -7.5 | 145.9 | 145.6 | 67.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 35 | Y | 50.3 | Low | 46.3 | Very low | 206 Ų | 206 | 153.8 Ų | 153.8 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | -169.7 | 121.5 | 108.3 | -105.8 | -82 | 0 | 0 | 0 | 113.5 | |||||
| 36 | K | 44.5 | Very low | 46.3 | Very low | 183 Ų | 183 | 158.1 Ų | 158.1 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | 22.6 | 119.6 | 147 | -64.5 | -176.1 | 177.3 | -179.5 | 0 | 123.1 | ||||
| 37 | A | 40.5 | Very low | 45.8 | Very low | 101 Ų | 101 | 151.8 Ų | 151.8 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | 35.4 | 125.2 | 116.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 38 | S | 49.8 | Very low | 46.1 | Very low | 125 Ų | 125 | 153.3 Ų | 153.3 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | -159.9 | 143.4 | 126.6 | -167.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 39 | K | 40 | Very low | 45.9 | Very low | 195 Ų | 195 | 155.1 Ų | 155.1 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -77 | 149.9 | -179.8 | -65.9 | 166.2 | 173.3 | 171.2 | 0 | 110.8 | ||||
| 40 | Q | 47.6 | Very low | 45.5 | Very low | 203 Ų | 203 | 153.4 Ų | 153.4 | 95% | 0.949 | 79% | 0.79 | S | S | * | * | trans | -161.6 | 135.1 | 132.9 | -111.2 | 171.9 | 3.5 | 0 | 0 | 113.3 | ||||
| 41 | K | 40.3 | Very low | 45.1 | Very low | 206 Ų | 206 | 150.3 Ų | 150.3 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | trans | -81.2 | 151.1 | 178.7 | -69.7 | 171.6 | 169.3 | 176.7 | 0 | 111.1 | ||||
| 42 | S | 47.5 | Very low | 45 | Very low | 108 Ų | 108 | 150.6 Ų | 150.6 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -170 | 104.3 | 144.4 | -176.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 43 | K | 46.4 | Very low | 44.5 | Very low | 179 Ų | 179 | 153.3 Ų | 153.3 | 78% | 0.778 | 80% | 0.803 | S | S | * | * | 64.4 | 103.9 | 117.4 | -74.5 | -178.9 | 175.2 | 178.2 | 0 | 116.1 | |||||
| 44 | Q | 44.6 | Very low | 44.1 | Very low | 157 Ų | 157 | 149.1 Ų | 149.1 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | 74.3 | 109.4 | 93.8 | -85.4 | -173.4 | -33.4 | 0 | 0 | 113.9 | |||||
| 45 | N | 46.7 | Very low | 43.8 | Very low | 176 Ų | 176 | 149.8 Ų | 149.8 | 94% | 0.941 | 80% | 0.802 | S | S | * | * | -149 | 129.8 | 129.2 | -102.3 | -21.1 | 0 | 0 | 0 | 111.7 | |||||
| 46 | K | 40.9 | Very low | 43.4 | Very low | 194 Ų | 194 | 148.4 Ų | 148.4 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -94.3 | 151 | -177.3 | -99.6 | 175.2 | 168.8 | 178.6 | 0 | 109.9 | ||||
| 47 | G | 44.2 | Very low | 43.5 | Very low | 61 Ų | 61 | 148.5 Ų | 148.5 | 63% | 0.629 | 81% | 0.808 | S | S | * | * | trans | 173.5 | 93.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 48 | N | 44.7 | Very low | 43.6 | Very low | 147 Ų | 147 | 151.8 Ų | 151.8 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | 64.8 | 124.9 | 94.6 | -65 | -3.4 | 0 | 0 | 0 | 110.1 | |||||
| 49 | N | 48.5 | Very low | 43.6 | Very low | 144 Ų | 144 | 151.8 Ų | 151.8 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | cis | -176.2 | -165.6 | 29.5 | -143 | 3.8 | 0 | 0 | 0 | 108.2 | ||||
| 50 | P | 45.7 | Very low | 43.7 | Very low | 98 Ų | 98 | 147 Ų | 147 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | -120.4 | 176.9 | -105.3 | 37.6 | -18.5 | 0 | 0 | 0 | 115.6 | |||||
| 51 | S | 37.4 | Very low | 43.7 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -42.3 | 141.4 | 167.1 | 62.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 52 | T | 43 | Very low | 44 | Very low | 139 Ų | 139 | 146 Ų | 146 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -136.8 | 111.8 | 153 | 24.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 53 | K | 39.6 | Very low | 44.1 | Very low | 208 Ų | 208 | 146.7 Ų | 146.7 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | trans | -65.2 | 136.4 | 159 | -68.1 | 169.9 | 173.2 | 175.1 | 0 | 109.1 | ||||
| 54 | S | 41.4 | Very low | 44 | Very low | 100 Ų | 100 | 147.1 Ų | 147.1 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | -170.5 | 105.1 | 151.3 | 53 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 55 | S | 35.6 | Very low | 44 | Very low | 106 Ų | 106 | 148.3 Ų | 148.3 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | 71.1 | 75.2 | 99.9 | 68.6 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 56 | L | 42.4 | Very low | 44.1 | Very low | 178 Ų | 178 | 144.7 Ų | 144.7 | 93% | 0.932 | 79% | 0.785 | S | S | * | * | trans | -102.8 | 89.7 | 163.9 | -79.3 | 166.7 | 0 | 0 | 0 | 111.1 | ||||
| 57 | K | 47.4 | Very low | 44.5 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -0.3 | 116.8 | 155.6 | -64.5 | 171.3 | 179.9 | 176.3 | 0 | 117.6 | I59 | K57-I59 PolarHBondContact O-N 3.31Š| ||
| 58 | N | 42.1 | Very low | 44.4 | Very low | 169 Ų | 169 | 149.3 Ų | 149.3 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | trans | -56.8 | 115.9 | 153.5 | -84.5 | -31 | 0 | 0 | 0 | 110.3 | S60 | N58-S60 PolarHBondContact O-N 3.23Š| ||
| 59 | I | 49.3 | Very low | 44.5 | Very low | 126 Ų | 126 | 150.1 Ų | 150.1 | 65% | 0.646 | 80% | 0.797 | S | S | * | * | trans | -91 | 99 | 168.8 | -62.1 | 172.4 | 0 | 0 | 0 | 107.5 | K57 Y61 | K57-I59 PolarHBondContact O-N 3.31Å; I59-Y61 HydrophobicContact CB-CE2 4.47Å; I59-Y61 HydrophobicContact CG2-CD2 4.09Å; I59-Y61 HydrophobicContact CG2-CE1 4.37Å; I59-Y61 HydrophobicContact CG2-CE2 3.64Å; I59-Y61 PolarHBondContact O-N 3.16Å | ||
| 60 | S | 41.4 | Very low | 44.4 | Very low | 94 Ų | 94 | 148.2 Ų | 148.2 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | trans | -79.4 | 107.2 | 170.4 | 149.1 | 0 | 0 | 0 | 0 | 109.5 | N58 K62 | N58-S60 PolarHBondContact O-N 3.23Å; S60-K62 PolarHBondContact O-N 3.26Å; S60-K62 VanDerWaalsContact O-N 3.13Å | ||
| 61 | Y | 49.4 | Very low | 44 | Very low | 208 Ų | 208 | 149.1 Ų | 149.1 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | -78.4 | 87.2 | 168.3 | -69.4 | -84.4 | 0 | 0 | 0 | 110.4 | I59 | I59-Y61 HydrophobicContact CB-CE2 4.47Å; I59-Y61 HydrophobicContact CG2-CD2 4.09Å; I59-Y61 HydrophobicContact CG2-CE1 4.37Å; I59-Y61 HydrophobicContact CG2-CE2 3.64Å; I59-Y61 PolarHBondContact O-N 3.16Å | ||
| 62 | K | 45.7 | Very low | 44.7 | Very low | 180 Ų | 180 | 152.2 Ų | 152.2 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -94.6 | 95.3 | 159.6 | -83.8 | -167.2 | 174.7 | -176 | 0 | 108.4 | S60 K64 | S60-K62 PolarHBondContact O-N 3.26Å; S60-K62 VanDerWaalsContact O-N 3.13Å; K62-K64 PolarHBondContact O-N 2.97Å | ||
| 63 | S | 49.4 | Very low | 44.9 | Very low | 123 Ų | 123 | 154.4 Ų | 154.4 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -75.3 | 108.4 | 167.4 | -165.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 64 | K | 45.4 | Very low | 45.1 | Very low | 187 Ų | 187 | 150.7 Ų | 150.7 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -81.6 | 116.1 | 168.9 | -75.3 | -174 | 176.3 | -178.2 | 0 | 107.9 | K62 S66 | K62-K64 PolarHBondContact O-N 2.97Å; K64-S66 PolarHBondContact O-N 3.45Å; K64-S66 VanDerWaalsContact O-N 3.1Å | ||
| 65 | L | 43.9 | Very low | 45.5 | Very low | 182 Ų | 182 | 151 Ų | 151 | 95% | 0.953 | 80% | 0.8 | S | S | * | * | trans | -60.7 | 104 | 170.8 | -164.5 | 70.5 | 0 | 0 | 0 | 108.7 | ||||
| 66 | S | 48.6 | Very low | 46 | Very low | 100 Ų | 100 | 150.5 Ų | 150.5 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | -93.3 | 115.4 | -179.8 | -177 | 0 | 0 | 0 | 0 | 110.3 | K64 | K64-S66 PolarHBondContact O-N 3.45Å; K64-S66 VanDerWaalsContact O-N 3.1Å | ||
| 67 | Q | 49.6 | Very low | 46.2 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | 47.4 | 106.8 | 138.1 | -59.2 | -168.8 | -13.1 | 0 | 0 | 119.3 | ||||
| 68 | H | 41.8 | Very low | 46.5 | Very low | 183 Ų | 183 | 146.9 Ų | 146.9 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | 22.8 | 111.1 | 128.2 | -82.1 | -82.8 | 0 | 0 | 0 | 118.1 | |||||
| 69 | N | 46.4 | Very low | 46.7 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -109.3 | 122.9 | 144.6 | -87.3 | -29.7 | 0 | 0 | 0 | 108.3 | ||||
| 70 | P | 46.3 | Very low | 46.6 | Very low | 105 Ų | 105 | 151.4 Ų | 151.4 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | trans | -86.1 | 167.6 | 165.3 | 34.7 | -28.1 | 0 | 0 | 0 | 110 | ||||
| 71 | T | 38.1 | Very low | 46.7 | Very low | 116 Ų | 116 | 153 Ų | 153 | 71% | 0.712 | 79% | 0.794 | S | S | * | * | trans | 97.7 | 85.3 | 158.3 | -35.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 72 | I | 51.2 | Low | 46.5 | Very low | 174 Ų | 174 | 151.8 Ų | 151.8 | 89% | 0.892 | 80% | 0.796 | S | S | * | * | trans | -133.1 | 118 | 138.6 | -58.9 | -176.9 | 0 | 0 | 0 | 107.6 | ||||
| 73 | K | 47 | Very low | 46.7 | Very low | 186 Ų | 186 | 150 Ų | 150 | 81% | 0.809 | 80% | 0.8 | S | S | * | * | trans | -68.1 | 147 | -176.2 | -65.1 | 170.6 | 174.2 | 176.3 | 0 | 112.2 | ||||
| 74 | P | 44.5 | Very low | 46.5 | Very low | 130 Ų | 130 | 148.5 Ų | 148.5 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | trans | -96.4 | 126.8 | 155.1 | 33.7 | -23.4 | 0 | 0 | 0 | 110.6 | ||||
| 75 | S | 49.4 | Very low | 46.5 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | -114.4 | 130.6 | 157.1 | 163.2 | 0 | 0 | 0 | 0 | 103 | ||||
| 76 | S | 46.9 | Very low | 46.7 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | -161.6 | 132.2 | 52.1 | -38.6 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 77 | Q | 47.4 | Very low | 46.4 | Very low | 165 Ų | 165 | 142 Ų | 142 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | 86.9 | 93.2 | 91.1 | -162 | 159.4 | -9 | 0 | 0 | 113.8 | |||||
| 78 | S | 52.8 | Low | 46.4 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -152.5 | 122.5 | 147 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 79 | R | 45.9 | Very low | 46.5 | Very low | 199 Ų | 199 | 136 Ų | 136 | 75% | 0.751 | 78% | 0.775 | S | S | * | * | trans | -71.2 | 147.9 | -175.4 | -62.7 | 166.7 | -178.9 | 165.1 | -0.9 | 110.4 | ||||
| 80 | F | 46.7 | Very low | 46.9 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | -175 | 100.3 | 123.4 | -102.8 | -72.8 | 0 | 0 | 0 | 110.4 | |||||
| 81 | D | 45 | Very low | 47 | Very low | 128 Ų | 128 | 142 Ų | 142 | 68% | 0.684 | 78% | 0.782 | S | S | * | * | trans | 52.6 | 108.4 | 135 | -55.2 | -17.6 | 0 | 0 | 0 | 121.5 | ||||
| 82 | H | 45.4 | Very low | 47.9 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -58.5 | 131.1 | 153 | -66.3 | -89.9 | 0 | 0 | 0 | 111.6 | ||||
| 83 | V | 49.1 | Very low | 47.8 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | -127.5 | 100.5 | 145.3 | -173.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 84 | S | 45.5 | Very low | 48.2 | Very low | 92 Ų | 92 | 137.9 Ų | 137.9 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | trans | -54.2 | 145.6 | 161.9 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 85 | S | 45.9 | Very low | 48.6 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | 165.2 | 130.4 | 112.2 | -73.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 86 | T | 47.8 | Very low | 48.8 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | 73.2 | 98.3 | 134.2 | 59.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 87 | S | 42 | Very low | 49.2 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | 42.8 | 107.3 | 114.5 | 65 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 88 | S | 49.6 | Very low | 49.6 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -161.6 | 111.6 | 144.4 | -175.8 | 0 | 0 | 0 | 0 | 109.7 | K90 | S88-K90 PolarHBondContact O-N 3.3Š| ||
| 89 | S | 44.2 | Very low | 49.9 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | -57.2 | 100.5 | 173.9 | 49.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 90 | K | 54.2 | Low | 50.8 | Low | 182 Ų | 182 | 137.4 Ų | 137.4 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -132.9 | 109.9 | 159.7 | -92.1 | 178.5 | 178 | 172.2 | 0 | 108.5 | S88 P92 | S88-K90 PolarHBondContact O-N 3.3Å; K90-P92 WeakPolarHBondContact O-CD 3.38Å | ||
| 91 | K | 48.7 | Very low | 52.3 | Low | 213 Ų | 213 | 129.9 Ų | 129.9 | 93% | 0.926 | 74% | 0.737 | S | S | * | * | trans | -46.3 | 108.6 | 165.6 | -75.4 | 177.6 | 173.9 | 177.2 | 0 | 108.3 | ||||
| 92 | P | 56.8 | Low | 54.2 | Low | 109 Ų | 109 | 131 Ų | 131 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | trans | -83.7 | 126.4 | 170.2 | 25.6 | -13 | 0 | 0 | 0 | 107.2 | K90 I94 | K90-P92 WeakPolarHBondContact O-CD 3.38Å; P92-I94 PolarHBondContact O-N 3.13Å | ||
| 93 | N | 48.6 | Very low | 56.1 | Low | 137 Ų | 137 | 126.7 Ų | 126.7 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | trans | -45.9 | 115.8 | 171.5 | -166.7 | -6.4 | 0 | 0 | 0 | 110 | N95 | N93-N95 PolarHBondContact O-N 2.98Š| ||
| 94 | I | 56.1 | Low | 57.9 | Low | 143 Ų | 143 | 125.9 Ų | 125.9 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | trans | -75.8 | 10.8 | -169.4 | -68.5 | 172.1 | 0 | 0 | 0 | 112.2 | P92 | P92-I94 PolarHBondContact O-N 3.13Š| ||
| 95 | N | 52.7 | Low | 60.1 | Low | 115 Ų | 115 | 130.5 Ų | 130.5 | 62% | 0.615 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -114.6 | 105.1 | -163.5 | -49.7 | 2.3 | 0 | 0 | 0 | 108.4 | N93 | N93-N95 PolarHBondContact O-N 2.98Š|
| 96 | N | 54.4 | Low | 62.2 | Low | 162 Ų | 162 | 132 Ų | 132 | 87% | 0.866 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 99.7 | 22.8 | 158.7 | -54.1 | -11.8 | 0 | 0 | 0 | 120.9 | ||
| 97 | K | 55 | Low | 64.3 | Low | 200 Ų | 200 | 131.3 Ų | 131.3 | 87% | 0.87 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -130.3 | 6.4 | 170.2 | -114.3 | -179.4 | -178.1 | -176.3 | 0 | 117.3 | ||
| 98 | L | 55.5 | Low | 66.8 | Low | 143 Ų | 143 | 129.6 Ų | 129.6 | 75% | 0.749 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -84.4 | -5.4 | 179.7 | -80.1 | 159.1 | 0 | 0 | 0 | 114.4 | ||
| 99 | S | 58.6 | Low | 68.9 | Low | 104 Ų | 104 | 129.9 Ų | 129.9 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -83.8 | -27.6 | -168.9 | -151.6 | 0 | 0 | 0 | 0 | 115.2 | ||
| 100 | S | 64.4 | Low | 71.2 | Confident | 84 Ų | 84 | 128 Ų | 128 | 59% | 0.587 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -81.8 | -42.5 | -176.3 | 70.2 | 0 | 0 | 0 | 0 | 113 | F102 L103 E104 | S100-F102 VanDerWaalsContact C-N 3.27Å; S100-F102 PolarHBondContact O-N 3.31Å; S100-L103 PolarHBondContact O-N 3.37Å; S100-E104 PolarHBondContact O-N 2.65Å |
| 101 | G | 79.6 | Confident | 73 | Confident | 33 Ų | 33 | 124.8 Ų | 124.8 | 34% | 0.34 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -70.6 | -20.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R105 | G101-R105 WeakPolarHBondContact O-CB 3.33Å; G101-R105 WeakPolarHBondContact O-CD 3.49Å; G101-R105 VanDerWaalsContact O-CG 3.23Å; G101-R105 WeakPolarHBondContact O-CG 3.49Å; G101-R105 PolarHBondContact O-N 3.36Å |
| 102 | F | 83.7 | Confident | 75.1 | Confident | 151 Ų | 151 | 117.3 Ų | 117.3 | 66% | 0.662 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -74.7 | -40.8 | 174 | -176.6 | -95.1 | 0 | 0 | 0 | 111.5 | S100 W106 | S100-F102 VanDerWaalsContact C-N 3.27Å; S100-F102 PolarHBondContact O-N 3.31Å; F102-W106 WeakPolarHBondContact O-CB 3.3Å; F102-W106 PolarHBondContact O-N 3.28Å |
| 103 | L | 84.9 | Confident | 76.9 | Confident | 92 Ų | 92 | 116.4 Ų | 116.4 | 48% | 0.482 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.4 | -47.8 | -179.8 | -172.3 | 65.5 | 0 | 0 | 0 | 111.6 | S100 R105 W106 E107 | S100-L103 PolarHBondContact O-N 3.37Å; L103-R105 VanDerWaalsContact C-N 3.3Å; L103-R105 PolarHBondContact O-N 3.34Å; L103-W106 HydrophobicContact CD1-CE3 4.27Å; L103-W106 CarbonylContact O-C 3.55Å; L103-W106 WeakPolarHBondContact O-CA 3.39Å; L103-W106 WeakPolarHBondContact O-CB 3.36Å; L103-W106 PolarHBondContact O-N 2.99Å; L103-E107 WeakPolarHBondContact O-CG 3.47Å; L103-E107 PolarHBondContact O-N 3.09Å |
| 104 | E | 88 | Confident | 78.9 | Confident | 126 Ų | 126 | 112.5 Ų | 112.5 | 59% | 0.589 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.6 | -39.4 | 177 | -72.2 | 173.8 | -172.4 | 0 | 0 | 112.3 | S100 S108 | S100-E104 PolarHBondContact O-N 2.65Å; E104-S108 WeakPolarHBondContact O-CB 3.29Å; E104-S108 PolarHBondContact O-N 2.86Å; E104-S108 PolarHBondContact O-OG 3.1Å |
| 105 | R | 90.8 | Very high | 80.7 | Confident | 188 Ų | 188 | 110.5 Ų | 110.5 | 71% | 0.709 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.1 | -38.8 | 174 | -78 | 179.1 | 176.8 | -136.9 | -1 | 112.1 | G101 L103 N109 | G101-R105 WeakPolarHBondContact O-CB 3.33Å; G101-R105 WeakPolarHBondContact O-CD 3.49Å; G101-R105 VanDerWaalsContact O-CG 3.23Å; G101-R105 WeakPolarHBondContact O-CG 3.49Å; G101-R105 PolarHBondContact O-N 3.36Å; L103-R105 VanDerWaalsContact C-N 3.3Å; L103-R105 PolarHBondContact O-N 3.34Å; R105-N109 WeakPolarHBondContact O-CB 3.43Å; R105-N109 PolarHBondContact O-N 3.44Å; R105-N109 PolarHBondContact O-ND2 2.97Å |
| 106 | W | 91.7 | Very high | 82.5 | Confident | 132 Ų | 132 | 107.1 Ų | 107.1 | 50% | 0.5 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.7 | -46.8 | 176.5 | -179 | 86.7 | 0 | 0 | 0 | 111.1 | F102 L103 N109 Q110 | F102-W106 WeakPolarHBondContact O-CB 3.3Å; F102-W106 PolarHBondContact O-N 3.28Å; L103-W106 HydrophobicContact CD1-CE3 4.27Å; L103-W106 CarbonylContact O-C 3.55Å; L103-W106 WeakPolarHBondContact O-CA 3.39Å; L103-W106 WeakPolarHBondContact O-CB 3.36Å; L103-W106 PolarHBondContact O-N 2.99Å; W106-N109 WeakPolarHBondContact O-CB 3.37Å; W106-N109 PolarHBondContact O-N 3.31Å; W106-Q110 HydrophobicContact CD2-CG 4.08Å; W106-Q110 HydrophobicContact CE3-CG 4.22Å; W106-Q110 HydrophobicContact CH2-CG 4.01Å; W106-Q110 HydrophobicContact CZ2-CG 3.87Å; W106-Q110 HydrophobicContact CZ3-CG 4.18Å; W106-Q110 WeakPolarHBondContact O-CG 3.43Å; W106-Q110 PolarHBondContact O-N 3.42Å |
| 107 | E | 91.5 | Very high | 84.4 | Confident | 106 Ų | 106 | 103.6 Ų | 103.6 | 50% | 0.495 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.1 | -45 | 175.9 | -71.6 | 178.2 | 173.6 | 0 | 0 | 112 | L103 N109 Q110 L111 | L103-E107 WeakPolarHBondContact O-CG 3.47Å; L103-E107 PolarHBondContact O-N 3.09Å; E107-N109 VanDerWaalsContact C-N 3.28Å; E107-N109 PolarHBondContact O-N 2.96Å; E107-Q110 PolarHBondContact O-N 3.12Å; E107-Q110 VanDerWaalsContact O-N 3.13Å; E107-L111 PolarHBondContact O-N 2.87Å |
| 108 | S | 93.2 | Very high | 86.2 | Confident | 75 Ų | 75 | 97.8 Ų | 97.8 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.5 | -39.4 | 175.1 | -60.6 | 0 | 0 | 0 | 0 | 112.1 | E104 A112 | E104-S108 WeakPolarHBondContact O-CB 3.29Å; E104-S108 PolarHBondContact O-N 2.86Å; E104-S108 PolarHBondContact O-OG 3.1Å; S108-A112 WeakPolarHBondContact O-CB 3.48Å; S108-A112 PolarHBondContact O-N 2.82Å |
| 109 | N | 93.5 | Very high | 87.9 | Confident | 110 Ų | 110 | 95.6 Ų | 95.6 | 59% | 0.588 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.1 | -36 | 176 | -72.7 | -20.8 | 0 | 0 | 0 | 112.3 | R105 W106 E107 L113 | R105-N109 WeakPolarHBondContact O-CB 3.43Å; R105-N109 PolarHBondContact O-N 3.44Å; R105-N109 PolarHBondContact O-ND2 2.97Å; W106-N109 WeakPolarHBondContact O-CB 3.37Å; W106-N109 PolarHBondContact O-N 3.31Å; E107-N109 VanDerWaalsContact C-N 3.28Å; E107-N109 PolarHBondContact O-N 2.96Å; N109-L113 VanDerWaalsContact O-CB 3.28Å; N109-L113 WeakPolarHBondContact O-CB 3.29Å; N109-L113 PolarHBondContact O-N 3.42Å |
| 110 | Q | 92.8 | Very high | 89.4 | Confident | 84 Ų | 84 | 94.9 Ų | 94.9 | 39% | 0.393 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.2 | -41.5 | 175.3 | -67.9 | -59.5 | -22.8 | 0 | 0 | 111.7 | W106 E107 L113 A114 | W106-Q110 HydrophobicContact CD2-CG 4.08Å; W106-Q110 HydrophobicContact CE3-CG 4.22Å; W106-Q110 HydrophobicContact CH2-CG 4.01Å; W106-Q110 HydrophobicContact CZ2-CG 3.87Å; W106-Q110 HydrophobicContact CZ3-CG 4.18Å; W106-Q110 WeakPolarHBondContact O-CG 3.43Å; W106-Q110 PolarHBondContact O-N 3.42Å; E107-Q110 PolarHBondContact O-N 3.12Å; E107-Q110 VanDerWaalsContact O-N 3.13Å; Q110-L113 PolarHBondContact O-N 3.26Å; Q110-A114 PolarHBondContact O-N 3.49Å |
| 111 | L | 93.6 | Very high | 90.5 | Very high | 113 Ų | 113 | 93.9 Ų | 93.9 | 59% | 0.592 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.3 | -47.1 | 175.1 | -174.6 | 64.9 | 0 | 0 | 0 | 111.2 | E107 L113 A114 D115 | E107-L111 PolarHBondContact O-N 2.87Å; L111-L113 VanDerWaalsContact C-N 3.26Å; L111-L113 PolarHBondContact O-N 2.96Å; L111-A114 WeakPolarHBondContact O-CB 3.43Å; L111-A114 PolarHBondContact O-N 3.42Å; L111-A114 VanDerWaalsContact O-N 3.12Å; L111-D115 PolarHBondContact O-N 2.85Å |
| 112 | A | 92.2 | Very high | 91.1 | Very high | 56 Ų | 56 | 97.2 Ų | 97.2 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.5 | -35.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S108 A116 | S108-A112 WeakPolarHBondContact O-CB 3.48Å; S108-A112 PolarHBondContact O-N 2.82Å; A112-A116 VanDerWaalsContact O-CB 3.3Å; A112-A116 WeakPolarHBondContact O-CB 3.46Å; A112-A116 PolarHBondContact O-N 3.27Å |
| 113 | L | 93.1 | Very high | 91.5 | Very high | 90 Ų | 90 | 94.5 Ų | 94.5 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.2 | -40.1 | 174.6 | -176.7 | 64.2 | 0 | 0 | 0 | 111.9 | N109 Q110 L111 A116 N117 | N109-L113 VanDerWaalsContact O-CB 3.28Å; N109-L113 WeakPolarHBondContact O-CB 3.29Å; N109-L113 PolarHBondContact O-N 3.42Å; Q110-L113 PolarHBondContact O-N 3.26Å; L111-L113 VanDerWaalsContact C-N 3.26Å; L111-L113 PolarHBondContact O-N 2.96Å; L113-A116 PolarHBondContact O-N 3.41Å; L113-N117 WeakPolarHBondContact O-CB 3.16Å; L113-N117 VanDerWaalsContact O-CG 3.25Å; L113-N117 PolarHBondContact O-N 2.99Å; L113-N117 PolarHBondContact O-ND2 2.85Å |
| 114 | A | 92.5 | Very high | 91.8 | Very high | 55 Ų | 55 | 94 Ų | 94 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q110 L111 N117 S118 | Q110-A114 PolarHBondContact O-N 3.49Å; L111-A114 WeakPolarHBondContact O-CB 3.43Å; L111-A114 PolarHBondContact O-N 3.42Å; L111-A114 VanDerWaalsContact O-N 3.12Å; A114-N117 PolarHBondContact O-N 3.47Å; A114-S118 PolarHBondContact O-N 3.47Å |
| 115 | D | 92.8 | Very high | 92 | Very high | 101 Ų | 101 | 94.8 Ų | 94.8 | 54% | 0.54 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 175.6 | -73.1 | -18 | 0 | 0 | 0 | 111.6 | L111 N117 S118 L119 | L111-D115 PolarHBondContact O-N 2.85Å; D115-N117 VanDerWaalsContact C-N 3.34Å; D115-N117 PolarHBondContact O-N 3.46Å; D115-S118 WeakPolarHBondContact O-CB 3.48Å; D115-S118 PolarHBondContact O-N 3.1Å; D115-L119 PolarHBondContact O-N 3.16Å |
| 116 | A | 90.8 | Very high | 92.1 | Very high | 44 Ų | 44 | 90 Ų | 90 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A112 L113 L119 I120 | A112-A116 VanDerWaalsContact O-CB 3.3Å; A112-A116 WeakPolarHBondContact O-CB 3.46Å; A112-A116 PolarHBondContact O-N 3.27Å; L113-A116 PolarHBondContact O-N 3.41Å; A116-L119 PolarHBondContact O-N 3.44Å; A116-I120 WeakPolarHBondContact O-CB 3.46Å; A116-I120 VanDerWaalsContact O-CG1 3.23Å; A116-I120 WeakPolarHBondContact O-CG1 3.49Å; A116-I120 PolarHBondContact O-N 3.04Å |
| 117 | N | 93.3 | Very high | 92.1 | Very high | 88 Ų | 88 | 87.9 Ų | 87.9 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.2 | -38.2 | 176.9 | -75.7 | -29.6 | 0 | 0 | 0 | 112.4 | L113 A114 D115 I120 A121 | L113-N117 WeakPolarHBondContact O-CB 3.16Å; L113-N117 VanDerWaalsContact O-CG 3.25Å; L113-N117 PolarHBondContact O-N 2.99Å; L113-N117 PolarHBondContact O-ND2 2.85Å; A114-N117 PolarHBondContact O-N 3.47Å; D115-N117 VanDerWaalsContact C-N 3.34Å; D115-N117 PolarHBondContact O-N 3.46Å; N117-I120 PolarHBondContact O-N 2.92Å; N117-A121 PolarHBondContact O-N 2.88Å |
| 118 | S | 93.2 | Very high | 92.2 | Very high | 79 Ų | 79 | 90 Ų | 90 | 55% | 0.552 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.7 | -46.4 | 173 | -175.1 | 0 | 0 | 0 | 0 | 111.2 | A114 D115 I120 A121 Q122 | A114-S118 PolarHBondContact O-N 3.47Å; D115-S118 WeakPolarHBondContact O-CB 3.48Å; D115-S118 PolarHBondContact O-N 3.1Å; S118-I120 PolarHBondContact O-N 2.99Å; S118-A121 WeakPolarHBondContact O-CB 3.49Å; S118-A121 PolarHBondContact O-N 3.27Å; S118-Q122 PolarHBondContact O-N 3.49Å |
| 119 | L | 91.5 | Very high | 91.9 | Very high | 97 Ų | 97 | 90.6 Ų | 90.6 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 175.9 | -176.4 | 63.2 | 0 | 0 | 0 | 112.2 | D115 A116 A121 Q122 L123 | D115-L119 PolarHBondContact O-N 3.16Å; A116-L119 PolarHBondContact O-N 3.44Å; L119-A121 VanDerWaalsContact C-N 3.31Å; L119-A121 PolarHBondContact O-N 3.42Å; L119-Q122 PolarHBondContact O-N 3.18Å; L119-L123 HydrophobicContact CD1-CD1 4.44Å; L119-L123 HydrophobicContact CD1-CG 4.37Å; L119-L123 HydrophobicContact CG-CD1 4.09Å; L119-L123 HydrophobicContact CG-CG 4.45Å; L119-L123 WeakPolarHBondContact O-CB 3.49Å; L119-L123 WeakPolarHBondContact O-CG 3.28Å; L119-L123 PolarHBondContact O-N 3.23Å |
| 120 | I | 89.8 | Confident | 91.9 | Very high | 88 Ų | 88 | 89 Ų | 89 | 45% | 0.451 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 174.6 | -72.6 | 165.3 | 0 | 0 | 0 | 110.8 | A116 N117 S118 N124 | A116-I120 WeakPolarHBondContact O-CB 3.46Å; A116-I120 VanDerWaalsContact O-CG1 3.23Å; A116-I120 WeakPolarHBondContact O-CG1 3.49Å; A116-I120 PolarHBondContact O-N 3.04Å; N117-I120 PolarHBondContact O-N 2.92Å; S118-I120 PolarHBondContact O-N 2.99Å; I120-N124 WeakPolarHBondContact CG2-ND2 3.33Å; I120-N124 WeakPolarHBondContact O-CB 3.29Å; I120-N124 PolarHBondContact O-N 3.33Å; I120-N124 PolarHBondContact O-ND2 3.49Å |
| 121 | A | 88.9 | Confident | 91.9 | Very high | 63 Ų | 63 | 90.8 Ų | 90.8 | 52% | 0.521 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N117 S118 L119 N124 K125 | N117-A121 PolarHBondContact O-N 2.88Å; S118-A121 WeakPolarHBondContact O-CB 3.49Å; S118-A121 PolarHBondContact O-N 3.27Å; L119-A121 VanDerWaalsContact C-N 3.31Å; L119-A121 PolarHBondContact O-N 3.42Å; A121-N124 PolarHBondContact O-N 3.09Å; A121-K125 PolarHBondContact O-N 3.3Å; A121-K125 VanDerWaalsContact O-N 3.07Å |
| 122 | Q | 90.9 | Very high | 91.9 | Very high | 104 Ų | 104 | 90.7 Ų | 90.7 | 49% | 0.486 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -49.5 | 175.4 | -176.8 | 178.4 | -8.4 | 0 | 0 | 112 | S118 L119 N124 K125 E126 | S118-Q122 PolarHBondContact O-N 3.49Å; L119-Q122 PolarHBondContact O-N 3.18Å; Q122-N124 VanDerWaalsContact C-N 3.28Å; Q122-N124 PolarHBondContact O-N 2.95Å; Q122-K125 WeakPolarHBondContact O-CA 3.13Å; Q122-K125 WeakPolarHBondContact O-CB 3.27Å; Q122-K125 PolarHBondContact O-N 3.21Å; Q122-E126 PolarHBondContact NE2-OE1 3.35Å; Q122-E126 PolarHBondContact O-N 2.98Å |
| 123 | L | 92.7 | Very high | 91.9 | Very high | 93 Ų | 93 | 93.7 Ų | 93.7 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -35.8 | 178.1 | -71.8 | 172.7 | 0 | 0 | 0 | 112.2 | L119 K125 E126 L127 | L119-L123 HydrophobicContact CD1-CD1 4.44Å; L119-L123 HydrophobicContact CD1-CG 4.37Å; L119-L123 HydrophobicContact CG-CD1 4.09Å; L119-L123 HydrophobicContact CG-CG 4.45Å; L119-L123 WeakPolarHBondContact O-CB 3.49Å; L119-L123 WeakPolarHBondContact O-CG 3.28Å; L119-L123 PolarHBondContact O-N 3.23Å; L123-K125 VanDerWaalsContact C-N 3.34Å; L123-E126 PolarHBondContact O-N 3.36Å; L123-L127 VanDerWaalsContact O-CB 3.27Å; L123-L127 WeakPolarHBondContact O-CB 3.46Å; L123-L127 PolarHBondContact O-N 3Å |
| 124 | N | 90.4 | Very high | 91.9 | Very high | 83 Ų | 83 | 95 Ų | 95 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.1 | -34.1 | 173.9 | -83.2 | -50.7 | 0 | 0 | 0 | 112.8 | I120 A121 Q122 K128 | I120-N124 WeakPolarHBondContact CG2-ND2 3.33Å; I120-N124 WeakPolarHBondContact O-CB 3.29Å; I120-N124 PolarHBondContact O-N 3.33Å; I120-N124 PolarHBondContact O-ND2 3.49Å; A121-N124 PolarHBondContact O-N 3.09Å; Q122-N124 VanDerWaalsContact C-N 3.28Å; Q122-N124 PolarHBondContact O-N 2.95Å; N124-K128 WeakPolarHBondContact O-CG 3.4Å; N124-K128 PolarHBondContact O-N 2.91Å; N124-K128 VanDerWaalsContact O-N 3.14Å |
| 125 | K | 93.5 | Very high | 91.9 | Very high | 141 Ų | 141 | 98.7 Ų | 98.7 | 61% | 0.613 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.6 | -50.6 | 173 | -175.5 | -175.2 | 174.3 | -172.7 | 0 | 110.5 | A121 Q122 L123 L127 K128 D129 | A121-K125 PolarHBondContact O-N 3.3Å; A121-K125 VanDerWaalsContact O-N 3.07Å; Q122-K125 WeakPolarHBondContact O-CA 3.13Å; Q122-K125 WeakPolarHBondContact O-CB 3.27Å; Q122-K125 PolarHBondContact O-N 3.21Å; L123-K125 VanDerWaalsContact C-N 3.34Å; K125-L127 VanDerWaalsContact C-N 3.29Å; K125-L127 PolarHBondContact O-N 3.39Å; K125-K128 WeakPolarHBondContact O-CA 3.22Å; K125-K128 WeakPolarHBondContact O-CB 3.42Å; K125-K128 PolarHBondContact O-N 3.49Å; K125-D129 PolarHBondContact O-N 3.5Å |
| 126 | E | 91.4 | Very high | 92 | Very high | 89 Ų | 89 | 96.7 Ų | 96.7 | 42% | 0.416 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.3 | -39.2 | 177.1 | -69.7 | 174.8 | -165.8 | 0 | 0 | 112 | Q122 L123 K128 D129 C130 | Q122-E126 PolarHBondContact NE2-OE1 3.35Å; Q122-E126 PolarHBondContact O-N 2.98Å; L123-E126 PolarHBondContact O-N 3.36Å; E126-K128 VanDerWaalsContact C-N 3.33Å; E126-K128 PolarHBondContact O-N 3.26Å; E126-D129 PolarHBondContact O-N 3.48Å; E126-C130 WeakPolarHBondContact O-CB 3.44Å; E126-C130 PolarHBondContact O-N 2.89Å; E126-C130 PolarHBondContact O-SG 2.94Å; E126-C130 VanDerWaalsContact O-SG 3.42Å |
| 127 | L | 91.8 | Very high | 91.9 | Very high | 87 Ų | 87 | 98.9 Ų | 98.9 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -36 | 174.6 | -175.4 | 67.2 | 0 | 0 | 0 | 112.6 | L123 K125 K131 | L123-L127 VanDerWaalsContact O-CB 3.27Å; L123-L127 WeakPolarHBondContact O-CB 3.46Å; L123-L127 PolarHBondContact O-N 3Å; K125-L127 VanDerWaalsContact C-N 3.29Å; K125-L127 PolarHBondContact O-N 3.39Å; L127-K131 HydrophobicContact CG-CD 4.48Å; L127-K131 WeakPolarHBondContact O-CB 3.42Å; L127-K131 VanDerWaalsContact O-CG 3.25Å; L127-K131 WeakPolarHBondContact O-CG 3.46Å; L127-K131 PolarHBondContact O-N 3.32Å; L127-K131 VanDerWaalsContact O-N 3.11Å |
| 128 | K | 93.5 | Very high | 91.8 | Very high | 151 Ų | 151 | 100 Ų | 100 | 66% | 0.657 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.6 | -42.3 | 175.1 | -76.8 | 175.1 | -179.3 | -179.9 | 0 | 111 | N124 K125 E126 K131 L132 | N124-K128 WeakPolarHBondContact O-CG 3.4Å; N124-K128 PolarHBondContact O-N 2.91Å; N124-K128 VanDerWaalsContact O-N 3.14Å; K125-K128 WeakPolarHBondContact O-CA 3.22Å; K125-K128 WeakPolarHBondContact O-CB 3.42Å; K125-K128 PolarHBondContact O-N 3.49Å; E126-K128 VanDerWaalsContact C-N 3.33Å; E126-K128 PolarHBondContact O-N 3.26Å; K128-K131 PolarHBondContact O-N 3.28Å; K128-L132 PolarHBondContact O-N 2.88Å |
| 129 | D | 88.8 | Confident | 91.7 | Very high | 87 Ų | 87 | 104.3 Ų | 104.3 | 47% | 0.465 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -47.2 | 179 | -65.8 | -19.5 | 0 | 0 | 0 | 110.9 | K125 E126 K131 L132 E133 | K125-D129 PolarHBondContact O-N 3.5Å; E126-D129 PolarHBondContact O-N 3.48Å; D129-K131 VanDerWaalsContact C-N 3.32Å; D129-K131 PolarHBondContact O-N 2.99Å; D129-L132 WeakPolarHBondContact O-CB 3.42Å; D129-L132 PolarHBondContact O-N 3.37Å; D129-E133 PolarHBondContact O-N 3.45Å |
| 130 | C | 92.3 | Very high | 91.7 | Very high | 76 Ų | 76 | 105 Ų | 105 | 51% | 0.514 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.5 | -40 | 173.4 | -76.2 | 0 | 0 | 0 | 0 | 112.8 | E126 L132 E133 L134 | E126-C130 WeakPolarHBondContact O-CB 3.44Å; E126-C130 PolarHBondContact O-N 2.89Å; E126-C130 PolarHBondContact O-SG 2.94Å; E126-C130 VanDerWaalsContact O-SG 3.42Å; C130-L132 VanDerWaalsContact C-N 3.33Å; C130-E133 PolarHBondContact O-N 3.19Å; C130-L134 WeakPolarHBondContact O-CB 3.49Å; C130-L134 PolarHBondContact O-N 2.99Å |
| 131 | K | 92.2 | Very high | 91.7 | Very high | 122 Ų | 122 | 108.9 Ų | 108.9 | 53% | 0.53 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.4 | -35.2 | 175.8 | -80.4 | 174.5 | 179.7 | 175.3 | 0 | 112.2 | L127 K128 D129 K135 | L127-K131 HydrophobicContact CG-CD 4.48Å; L127-K131 WeakPolarHBondContact O-CB 3.42Å; L127-K131 VanDerWaalsContact O-CG 3.25Å; L127-K131 WeakPolarHBondContact O-CG 3.46Å; L127-K131 PolarHBondContact O-N 3.32Å; L127-K131 VanDerWaalsContact O-N 3.11Å; K128-K131 PolarHBondContact O-N 3.28Å; D129-K131 VanDerWaalsContact C-N 3.32Å; D129-K131 PolarHBondContact O-N 2.99Å; K131-K135 WeakPolarHBondContact O-CG 3.28Å; K131-K135 PolarHBondContact O-N 2.98Å |
| 132 | L | 94 | Very high | 91.7 | Very high | 111 Ų | 111 | 111.8 Ų | 111.8 | 58% | 0.581 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.4 | -47.4 | 175.5 | -175.8 | 65.2 | 0 | 0 | 0 | 110.2 | K128 D129 C130 L134 K135 T136 | K128-L132 PolarHBondContact O-N 2.88Å; D129-L132 WeakPolarHBondContact O-CB 3.42Å; D129-L132 PolarHBondContact O-N 3.37Å; C130-L132 VanDerWaalsContact C-N 3.33Å; L132-L134 PolarHBondContact O-N 2.96Å; L132-K135 WeakPolarHBondContact O-CB 3.47Å; L132-K135 PolarHBondContact O-N 3.3Å; L132-K135 VanDerWaalsContact O-N 3.16Å; L132-T136 WeakPolarHBondContact O-CG2 3.36Å; L132-T136 PolarHBondContact O-N 3.48Å |
| 133 | E | 93.2 | Very high | 91.5 | Very high | 118 Ų | 118 | 109.9 Ų | 109.9 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.1 | -47.5 | 177.5 | -171.1 | 176.6 | -175 | 0 | 0 | 111.6 | D129 C130 K135 T136 L137 | D129-E133 PolarHBondContact O-N 3.45Å; C130-E133 PolarHBondContact O-N 3.19Å; E133-K135 VanDerWaalsContact C-N 3.3Å; E133-K135 PolarHBondContact O-N 3.41Å; E133-T136 WeakPolarHBondContact CA-OG1 3.35Å; E133-T136 WeakPolarHBondContact O-CA 3.49Å; E133-T136 PolarHBondContact O-N 2.98Å; E133-T136 PolarHBondContact O-OG1 3.36Å; E133-L137 HydrophobicContact CG-CD1 4.42Å; E133-L137 PolarHBondContact O-N 2.88Å |
| 134 | L | 92.5 | Very high | 91.2 | Very high | 118 Ų | 118 | 110.8 Ų | 110.8 | 62% | 0.618 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.3 | -41.7 | 176.3 | -178.5 | 63.1 | 0 | 0 | 0 | 112.5 | C130 L132 T136 L137 Q138 | C130-L134 WeakPolarHBondContact O-CB 3.49Å; C130-L134 PolarHBondContact O-N 2.99Å; L132-L134 PolarHBondContact O-N 2.96Å; L134-T136 VanDerWaalsContact C-N 3.34Å; L134-L137 PolarHBondContact O-N 3.34Å; L134-Q138 WeakPolarHBondContact O-CB 3.43Å; L134-Q138 PolarHBondContact O-N 3.4Å |
| 135 | K | 93.3 | Very high | 90.8 | Very high | 132 Ų | 132 | 109.1 Ų | 109.1 | 57% | 0.574 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.9 | -37.8 | 175.6 | -76.2 | 176.9 | 179.1 | 178.4 | 0 | 111.8 | K131 L132 E133 R139 | K131-K135 WeakPolarHBondContact O-CG 3.28Å; K131-K135 PolarHBondContact O-N 2.98Å; L132-K135 WeakPolarHBondContact O-CB 3.47Å; L132-K135 PolarHBondContact O-N 3.3Å; L132-K135 VanDerWaalsContact O-N 3.16Å; E133-K135 VanDerWaalsContact C-N 3.3Å; E133-K135 PolarHBondContact O-N 3.41Å; K135-R139 WeakPolarHBondContact O-CG 3.47Å; K135-R139 PolarHBondContact O-N 3.5Å; K135-R139 VanDerWaalsContact O-N 3.11Å |
| 136 | T | 93.2 | Very high | 90.4 | Very high | 60 Ų | 60 | 106.8 Ų | 106.8 | 37% | 0.368 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.3 | -43.6 | 176.6 | 62.8 | 0 | 0 | 0 | 0 | 112 | L132 E133 L134 Q138 R139 Q140 | L132-T136 WeakPolarHBondContact O-CG2 3.36Å; L132-T136 PolarHBondContact O-N 3.48Å; E133-T136 WeakPolarHBondContact CA-OG1 3.35Å; E133-T136 WeakPolarHBondContact O-CA 3.49Å; E133-T136 PolarHBondContact O-N 2.98Å; E133-T136 PolarHBondContact O-OG1 3.36Å; L134-T136 VanDerWaalsContact C-N 3.34Å; T136-Q138 PolarHBondContact O-N 2.82Å; T136-R139 WeakPolarHBondContact O-CB 3.4Å; T136-R139 PolarHBondContact O-N 3.29Å; T136-Q140 WeakPolarHBondContact O-CG 3.43Å; T136-Q140 PolarHBondContact O-N 3.48Å |
| 137 | L | 90.8 | Very high | 90.2 | Very high | 90 Ų | 90 | 110.4 Ų | 110.4 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 175.1 | -73.1 | 173.5 | 0 | 0 | 0 | 111.9 | E133 L134 R139 Q140 Y141 | E133-L137 HydrophobicContact CG-CD1 4.42Å; E133-L137 PolarHBondContact O-N 2.88Å; L134-L137 PolarHBondContact O-N 3.34Å; L137-R139 VanDerWaalsContact C-N 3.3Å; L137-R139 PolarHBondContact O-N 2.86Å; L137-Q140 PolarHBondContact O-N 2.75Å; L137-Y141 PolarHBondContact O-N 3.46Å |
| 138 | Q | 90.6 | Very high | 89.8 | Confident | 111 Ų | 111 | 111.8 Ų | 111.8 | 52% | 0.519 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.1 | -37.6 | 176.1 | -167.4 | -177.3 | 12.3 | 0 | 0 | 112.1 | L134 T136 K142 | L134-Q138 WeakPolarHBondContact O-CB 3.43Å; L134-Q138 PolarHBondContact O-N 3.4Å; T136-Q138 PolarHBondContact O-N 2.82Å; Q138-K142 WeakPolarHBondContact O-CG 3.42Å; Q138-K142 PolarHBondContact O-N 2.9Å; Q138-K142 VanDerWaalsContact O-N 3.13Å |
| 139 | R | 90.3 | Very high | 89.5 | Confident | 170 Ų | 170 | 107.9 Ų | 107.9 | 64% | 0.642 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.7 | -44.7 | 173.6 | -73.4 | 173.2 | 179.2 | -176.2 | -2.1 | 111.4 | K135 T136 L137 K142 M143 | K135-R139 WeakPolarHBondContact O-CG 3.47Å; K135-R139 PolarHBondContact O-N 3.5Å; K135-R139 VanDerWaalsContact O-N 3.11Å; T136-R139 WeakPolarHBondContact O-CB 3.4Å; T136-R139 PolarHBondContact O-N 3.29Å; L137-R139 VanDerWaalsContact C-N 3.3Å; L137-R139 PolarHBondContact O-N 2.86Å; R139-K142 PolarHBondContact O-N 3.37Å; R139-M143 WeakPolarHBondContact O-CG 3.48Å; R139-M143 PolarHBondContact O-N 3.15Å |
| 140 | Q | 91.6 | Very high | 89.4 | Confident | 110 Ų | 110 | 110.6 Ų | 110.6 | 51% | 0.514 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 177.2 | -72.7 | -177.3 | -11.8 | 0 | 0 | 112.1 | T136 L137 K142 M143 Q144 | T136-Q140 WeakPolarHBondContact O-CG 3.43Å; T136-Q140 PolarHBondContact O-N 3.48Å; L137-Q140 PolarHBondContact O-N 2.75Å; Q140-K142 PolarHBondContact O-N 2.92Å; Q140-M143 WeakPolarHBondContact O-CB 3.28Å; Q140-M143 PolarHBondContact O-N 3.49Å; Q140-Q144 WeakPolarHBondContact O-CG 3.23Å; Q140-Q144 PolarHBondContact O-N 3.39Å |
| 141 | Y | 89.1 | Confident | 89.2 | Confident | 170 Ų | 170 | 110.5 Ų | 110.5 | 67% | 0.667 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.3 | -45.2 | 176.7 | -176 | -98 | 0 | 0 | 0 | 112.1 | L137 M143 Q144 A145 | L137-Y141 PolarHBondContact O-N 3.46Å; Y141-M143 VanDerWaalsContact C-N 3.32Å; Y141-M143 PolarHBondContact O-N 2.95Å; Y141-Q144 PolarHBondContact O-N 3.38Å; Y141-A145 WeakPolarHBondContact O-CB 3.35Å; Y141-A145 PolarHBondContact O-N 3.2Å |
| 142 | K | 90.5 | Very high | 88.8 | Confident | 125 Ų | 125 | 107.7 Ų | 107.7 | 54% | 0.543 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 175.2 | -74.8 | 178.5 | 179 | -177.6 | 0 | 111.9 | Q138 R139 Q140 A145 V146 | Q138-K142 WeakPolarHBondContact O-CG 3.42Å; Q138-K142 PolarHBondContact O-N 2.9Å; Q138-K142 VanDerWaalsContact O-N 3.13Å; R139-K142 PolarHBondContact O-N 3.37Å; Q140-K142 PolarHBondContact O-N 2.92Å; K142-A145 PolarHBondContact O-N 2.9Å; K142-V146 WeakPolarHBondContact O-CG2 3.47Å; K142-V146 PolarHBondContact O-N 2.99Å; K142-V146 VanDerWaalsContact O-N 3.11Å |
| 143 | M | 86 | Confident | 88.1 | Confident | 63 Ų | 63 | 107.5 Ų | 107.5 | 31% | 0.31 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 176.3 | -78.7 | -65.4 | -65.6 | 0 | 0 | 112.4 | R139 Q140 Y141 V146 R147 W569 | R139-M143 WeakPolarHBondContact O-CG 3.48Å; R139-M143 PolarHBondContact O-N 3.15Å; Q140-M143 WeakPolarHBondContact O-CB 3.28Å; Q140-M143 PolarHBondContact O-N 3.49Å; Y141-M143 VanDerWaalsContact C-N 3.32Å; Y141-M143 PolarHBondContact O-N 2.95Å; M143-V146 PolarHBondContact O-N 3.33Å; M143-R147 WeakPolarHBondContact O-CG 3.49Å; M143-R147 PolarHBondContact O-N 2.97Å; M143-W569 HydrophobicContact CE-CH2 4.14Å; M143-W569 HydrophobicContact CE-CZ2 4.2Å; M143-W569 HydrophobicContact SD-CH2 3.75Å; M143-W569 HydrophobicContact SD-CZ2 4.3Å |
| 144 | Q | 86.4 | Confident | 87.9 | Confident | 113 Ų | 113 | 105.3 Ų | 105.3 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 176.4 | -72.2 | -177 | 20.1 | 0 | 0 | 111.9 | Q140 Y141 V146 R147 L148 | Q140-Q144 WeakPolarHBondContact O-CG 3.23Å; Q140-Q144 PolarHBondContact O-N 3.39Å; Y141-Q144 PolarHBondContact O-N 3.38Å; Q144-V146 PolarHBondContact O-N 3.44Å; Q144-R147 PolarHBondContact O-N 3Å; Q144-L148 WeakPolarHBondContact O-CG 3.33Å; Q144-L148 PolarHBondContact O-N 2.94Å |
| 145 | A | 82.9 | Confident | 87.6 | Confident | 48 Ų | 48 | 108.1 Ų | 108.1 | 40% | 0.397 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y141 K142 L148 D149 | Y141-A145 WeakPolarHBondContact O-CB 3.35Å; Y141-A145 PolarHBondContact O-N 3.2Å; K142-A145 PolarHBondContact O-N 2.9Å; A145-L148 PolarHBondContact O-N 2.98Å; A145-D149 WeakPolarHBondContact O-CB 3.38Å; A145-D149 PolarHBondContact O-N 3.25Å |
| 146 | V | 85.3 | Confident | 87.2 | Confident | 91 Ų | 91 | 107.5 Ų | 107.5 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.8 | -39.9 | 175.8 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | K142 M143 Q144 D149 K150 | K142-V146 WeakPolarHBondContact O-CG2 3.47Å; K142-V146 PolarHBondContact O-N 2.99Å; K142-V146 VanDerWaalsContact O-N 3.11Å; M143-V146 PolarHBondContact O-N 3.33Å; Q144-V146 PolarHBondContact O-N 3.44Å; V146-D149 PolarHBondContact O-N 3.38Å; V146-K150 PolarHBondContact O-N 3.31Å |
| 147 | R | 85.2 | Confident | 86.8 | Confident | 166 Ų | 166 | 108.3 Ų | 108.3 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.4 | -44.5 | 176.4 | -74.1 | 175.9 | 179.2 | 177.1 | -0 | 111.8 | M143 Q144 D149 K150 V151 | M143-R147 WeakPolarHBondContact O-CG 3.49Å; M143-R147 PolarHBondContact O-N 2.97Å; Q144-R147 PolarHBondContact O-N 3Å; R147-D149 VanDerWaalsContact C-N 3.34Å; R147-D149 PolarHBondContact O-N 3.33Å; R147-K150 PolarHBondContact O-N 2.9Å; R147-V151 VanDerWaalsContact O-CG2 3.31Å; R147-V151 WeakPolarHBondContact O-CG2 3.49Å; R147-V151 PolarHBondContact O-N 3.43Å |
| 148 | L | 84.4 | Confident | 86.6 | Confident | 115 Ų | 115 | 110.8 Ų | 110.8 | 60% | 0.602 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.6 | -37.9 | 178.2 | -73.4 | 173.5 | 0 | 0 | 0 | 112.3 | Q144 A145 V151 S152 | Q144-L148 WeakPolarHBondContact O-CG 3.33Å; Q144-L148 PolarHBondContact O-N 2.94Å; A145-L148 PolarHBondContact O-N 2.98Å; L148-V151 PolarHBondContact O-N 2.9Å; L148-S152 WeakPolarHBondContact O-CB 3.38Å; L148-S152 PolarHBondContact O-N 2.92Å; L148-S152 PolarHBondContact O-OG 3.43Å |
| 149 | D | 86.3 | Confident | 86.2 | Confident | 70 Ų | 70 | 113.5 Ų | 113.5 | 37% | 0.374 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67 | -42.6 | 176.1 | -167.5 | 53.7 | 0 | 0 | 0 | 111.7 | A145 V146 R147 V151 S152 Y153 R288 | A145-D149 WeakPolarHBondContact O-CB 3.38Å; A145-D149 PolarHBondContact O-N 3.25Å; V146-D149 PolarHBondContact O-N 3.38Å; R147-D149 VanDerWaalsContact C-N 3.34Å; R147-D149 PolarHBondContact O-N 3.33Å; D149-V151 PolarHBondContact O-N 3.5Å; D149-S152 PolarHBondContact O-N 3.42Å; D149-Y153 WeakPolarHBondContact O-CB 3.39Å; D149-Y153 PolarHBondContact O-N 3.25Å; D149-R288 IonicContact OD2-CZ 3.16Å; D149-R288 IonicContact OD2-NH1 2.64Å; D149-R288 PolarHBondContact OD2-NH1 3.42Å; D149-R288 IonicContact OD2-NH2 2.77Å; D149-R288 PolarHBondContact OD2-NH2 3.41Å |
| 150 | K | 87.2 | Confident | 85.7 | Confident | 144 Ų | 144 | 110.5 Ų | 110.5 | 63% | 0.626 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.4 | -42.2 | 173.6 | -171.3 | 176 | -179.1 | 179.4 | 0 | 111.9 | V146 R147 Y153 I154 | V146-K150 PolarHBondContact O-N 3.31Å; R147-K150 PolarHBondContact O-N 2.9Å; K150-Y153 PolarHBondContact O-N 2.93Å; K150-I154 HydrophobicContact CG-CD1 3.93Å; K150-I154 WeakPolarHBondContact O-CB 3.48Å; K150-I154 WeakPolarHBondContact O-CG1 3.35Å; K150-I154 PolarHBondContact O-N 3.4Å |
| 151 | V | 87.4 | Confident | 85.1 | Confident | 73 Ų | 73 | 111.1 Ų | 111.1 | 44% | 0.442 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66 | -40.4 | 176.6 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | R147 L148 D149 I154 R155 | R147-V151 VanDerWaalsContact O-CG2 3.31Å; R147-V151 WeakPolarHBondContact O-CG2 3.49Å; R147-V151 PolarHBondContact O-N 3.43Å; L148-V151 PolarHBondContact O-N 2.9Å; D149-V151 PolarHBondContact O-N 3.5Å; V151-I154 PolarHBondContact O-N 3.49Å; V151-R155 WeakPolarHBondContact O-CB 3.26Å; V151-R155 PolarHBondContact O-N 2.96Å |
| 152 | S | 84 | Confident | 84.7 | Confident | 63 Ų | 63 | 106.4 Ų | 106.4 | 44% | 0.441 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 177.3 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | L148 D149 R155 F156 | L148-S152 WeakPolarHBondContact O-CB 3.38Å; L148-S152 PolarHBondContact O-N 2.92Å; L148-S152 PolarHBondContact O-OG 3.43Å; D149-S152 PolarHBondContact O-N 3.42Å; S152-R155 PolarHBondContact O-N 3.14Å; S152-F156 PolarHBondContact O-N 2.91Å |
| 153 | Y | 81 | Confident | 84.5 | Confident | 107 Ų | 107 | 103.4 Ų | 103.4 | 42% | 0.42 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 174.5 | -176.7 | -102.9 | 0 | 0 | 0 | 112.3 | D149 K150 R155 F156 L157 | D149-Y153 WeakPolarHBondContact O-CB 3.39Å; D149-Y153 PolarHBondContact O-N 3.25Å; K150-Y153 PolarHBondContact O-N 2.93Å; Y153-R155 VanDerWaalsContact C-N 3.31Å; Y153-R155 PolarHBondContact O-N 3.01Å; Y153-F156 WeakPolarHBondContact O-CB 3.45Å; Y153-F156 PolarHBondContact O-N 3.07Å; Y153-L157 HydrophobicContact CD1-CD1 3.9Å; Y153-L157 HydrophobicContact CD1-CG 4.37Å; Y153-L157 HydrophobicContact CE1-CD1 3.31Å; Y153-L157 HydrophobicContact CE1-CG 3.98Å; Y153-L157 PolarHBondContact O-N 3.06Å |
| 154 | I | 86.9 | Confident | 84.3 | Confident | 73 Ų | 73 | 105.5 Ų | 105.5 | 37% | 0.374 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 176.1 | -70.2 | 166.9 | 0 | 0 | 0 | 111 | K150 V151 F156 L157 K158 | K150-I154 HydrophobicContact CG-CD1 3.93Å; K150-I154 WeakPolarHBondContact O-CB 3.48Å; K150-I154 WeakPolarHBondContact O-CG1 3.35Å; K150-I154 PolarHBondContact O-N 3.4Å; V151-I154 PolarHBondContact O-N 3.49Å; I154-F156 VanDerWaalsContact C-N 3.34Å; I154-L157 PolarHBondContact O-N 3.34Å; I154-K158 HydrophobicContact CG2-CD 4.29Å; I154-K158 HydrophobicContact CG2-CG 4.44Å; I154-K158 WeakPolarHBondContact O-CB 3.48Å; I154-K158 WeakPolarHBondContact O-CG 3.48Å; I154-K158 PolarHBondContact O-N 3.36Å |
| 155 | R | 88.1 | Confident | 84.4 | Confident | 176 Ų | 176 | 103.7 Ų | 103.7 | 66% | 0.664 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.2 | -40.1 | 176.4 | -173.2 | -174.4 | -67.1 | 159.8 | -1.9 | 111.5 | V151 S152 Y153 R159 | V151-R155 WeakPolarHBondContact O-CB 3.26Å; V151-R155 PolarHBondContact O-N 2.96Å; S152-R155 PolarHBondContact O-N 3.14Å; Y153-R155 VanDerWaalsContact C-N 3.31Å; Y153-R155 PolarHBondContact O-N 3.01Å; R155-R159 WeakPolarHBondContact O-CB 3.38Å; R155-R159 PolarHBondContact O-N 3.07Å |
| 156 | F | 84.9 | Confident | 84.6 | Confident | 119 Ų | 119 | 108.2 Ų | 108.2 | 52% | 0.522 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 174.7 | 177.7 | -96.5 | 0 | 0 | 0 | 111.6 | S152 Y153 I154 K158 R159 Q160 | S152-F156 PolarHBondContact O-N 2.91Å; Y153-F156 WeakPolarHBondContact O-CB 3.45Å; Y153-F156 PolarHBondContact O-N 3.07Å; I154-F156 VanDerWaalsContact C-N 3.34Å; F156-K158 PolarHBondContact O-N 3.41Å; F156-R159 WeakPolarHBondContact O-CB 3.31Å; F156-R159 PolarHBondContact O-N 3.25Å; F156-Q160 HydrophobicContact CD1-CG 4.4Å; F156-Q160 HydrophobicContact CE1-CG 3.95Å; F156-Q160 HydrophobicContact CE2-CG 4.45Å; F156-Q160 HydrophobicContact CZ-CG 3.98Å; F156-Q160 WeakPolarHBondContact O-CG 3.43Å; F156-Q160 PolarHBondContact O-N 2.94Å |
| 157 | L | 84.9 | Confident | 84.6 | Confident | 77 Ų | 77 | 107.7 Ų | 107.7 | 40% | 0.403 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 176.4 | -71.9 | -179 | 0 | 0 | 0 | 112.2 | Y153 I154 R159 Q160 E161 | Y153-L157 HydrophobicContact CD1-CD1 3.9Å; Y153-L157 HydrophobicContact CD1-CG 4.37Å; Y153-L157 HydrophobicContact CE1-CD1 3.31Å; Y153-L157 HydrophobicContact CE1-CG 3.98Å; Y153-L157 PolarHBondContact O-N 3.06Å; I154-L157 PolarHBondContact O-N 3.34Å; L157-R159 VanDerWaalsContact C-N 3.25Å; L157-R159 PolarHBondContact O-N 3.06Å; L157-Q160 PolarHBondContact O-N 2.91Å; L157-E161 WeakPolarHBondContact O-CB 3.47Å; L157-E161 PolarHBondContact O-N 3.42Å |
| 158 | K | 85.2 | Confident | 84.7 | Confident | 142 Ų | 142 | 102.9 Ų | 102.9 | 62% | 0.617 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62 | -32.4 | 176.4 | -76.1 | -173.1 | 175.4 | -167.7 | 0 | 113 | I154 F156 A162 | I154-K158 HydrophobicContact CG2-CD 4.29Å; I154-K158 HydrophobicContact CG2-CG 4.44Å; I154-K158 WeakPolarHBondContact O-CB 3.48Å; I154-K158 WeakPolarHBondContact O-CG 3.48Å; I154-K158 PolarHBondContact O-N 3.36Å; F156-K158 PolarHBondContact O-N 3.41Å; K158-A162 VanDerWaalsContact O-CB 3.3Å; K158-A162 WeakPolarHBondContact O-CB 3.37Å; K158-A162 PolarHBondContact O-N 3.04Å |
| 159 | R | 82.7 | Confident | 85 | Confident | 168 Ų | 168 | 102.7 Ų | 102.7 | 63% | 0.634 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -69.6 | -45 | 175.4 | -170.9 | 176.1 | -176.8 | -171 | 0.6 | 111.3 | R155 F156 L157 E161 A162 D163 | R155-R159 WeakPolarHBondContact O-CB 3.38Å; R155-R159 PolarHBondContact O-N 3.07Å; F156-R159 WeakPolarHBondContact O-CB 3.31Å; F156-R159 PolarHBondContact O-N 3.25Å; L157-R159 VanDerWaalsContact C-N 3.25Å; L157-R159 PolarHBondContact O-N 3.06Å; R159-E161 VanDerWaalsContact C-N 3.31Å; R159-E161 PolarHBondContact O-N 3.38Å; R159-A162 PolarHBondContact O-N 3.03Å; R159-D163 PolarHBondContact O-N 3.46Å; R159-D163 VanDerWaalsContact O-N 3.17Å |
| 160 | Q | 80.5 | Confident | 85.3 | Confident | 108 Ų | 108 | 106.8 Ų | 106.8 | 51% | 0.505 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 175.3 | -67.5 | -74 | 76.5 | 0 | 0 | 111.8 | F156 L157 D163 M164 | F156-Q160 HydrophobicContact CD1-CG 4.4Å; F156-Q160 HydrophobicContact CE1-CG 3.95Å; F156-Q160 HydrophobicContact CE2-CG 4.45Å; F156-Q160 HydrophobicContact CZ-CG 3.98Å; F156-Q160 WeakPolarHBondContact O-CG 3.43Å; F156-Q160 PolarHBondContact O-N 2.94Å; L157-Q160 PolarHBondContact O-N 2.91Å; Q160-D163 PolarHBondContact O-N 3.29Å; Q160-M164 PolarHBondContact O-N 3.3Å |
| 161 | E | 79.2 | Confident | 85.5 | Confident | 123 Ų | 123 | 103.8 Ų | 103.8 | 58% | 0.575 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.8 | -34.6 | 176.3 | -167.2 | 173.8 | -168.3 | 0 | 0 | 111.9 | L157 R159 D163 M164 P165 | L157-E161 WeakPolarHBondContact O-CB 3.47Å; L157-E161 PolarHBondContact O-N 3.42Å; R159-E161 VanDerWaalsContact C-N 3.31Å; R159-E161 PolarHBondContact O-N 3.38Å; E161-D163 VanDerWaalsContact C-N 3.33Å; E161-D163 PolarHBondContact O-N 3.48Å; E161-M164 HydrophobicContact CG-CE 4.26Å; E161-M164 WeakPolarHBondContact O-CB 3.49Å; E161-M164 PolarHBondContact O-N 3.48Å; E161-P165 VanDerWaalsContact O-CD 3.3Å; E161-P165 WeakPolarHBondContact O-CD 3.33Å |
| 162 | A | 80.7 | Confident | 85.6 | Confident | 71 Ų | 71 | 103.6 Ų | 103.6 | 59% | 0.587 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.4 | -28.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K158 R159 P165 | K158-A162 VanDerWaalsContact O-CB 3.3Å; K158-A162 WeakPolarHBondContact O-CB 3.37Å; K158-A162 PolarHBondContact O-N 3.04Å; R159-A162 PolarHBondContact O-N 3.03Å; A162-P165 WeakPolarHBondContact O-CD 3.49Å |
| 163 | D | 85.7 | Confident | 86 | Confident | 61 Ų | 61 | 103.7 Ų | 103.7 | 33% | 0.326 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -81.5 | -18.3 | 177.5 | -66.2 | -21.1 | 0 | 0 | 0 | 112.3 | R159 Q160 E161 Q166 I167 | R159-D163 PolarHBondContact O-N 3.46Å; R159-D163 VanDerWaalsContact O-N 3.17Å; Q160-D163 PolarHBondContact O-N 3.29Å; E161-D163 VanDerWaalsContact C-N 3.33Å; E161-D163 PolarHBondContact O-N 3.48Å; D163-Q166 PolarHBondContact O-N 3Å; D163-I167 HydrophobicContact CB-CD1 4.49Å; D163-I167 WeakPolarHBondContact O-CG1 3.41Å; D163-I167 PolarHBondContact O-N 3.36Å; D163-I167 VanDerWaalsContact O-N 3.1Å |
| 164 | M | 80.9 | Confident | 86.5 | Confident | 108 Ų | 108 | 103.8 Ų | 103.8 | 53% | 0.532 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | -175.9 | -173.9 | 168.4 | 59.9 | 0 | 0 | 113.8 | Q160 E161 Q166 I167 V168 | Q160-M164 PolarHBondContact O-N 3.3Å; E161-M164 HydrophobicContact CG-CE 4.26Å; E161-M164 WeakPolarHBondContact O-CB 3.49Å; E161-M164 PolarHBondContact O-N 3.48Å; M164-Q166 VanDerWaalsContact C-N 3.33Å; M164-Q166 PolarHBondContact O-N 3.03Å; M164-I167 PolarHBondContact O-N 3.35Å; M164-V168 HydrophobicContact CG-CG2 4.42Å; M164-V168 VanDerWaalsContact O-CG2 3.31Å; M164-V168 WeakPolarHBondContact O-CG2 3.46Å; M164-V168 PolarHBondContact O-N 2.99Å |
| 165 | P | 88 | Confident | 86.5 | Confident | 75 Ų | 75 | 104.3 Ų | 104.3 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.3 | -42.5 | 174.4 | -26.1 | 35 | 0 | 0 | 0 | 113.2 | E161 A162 I167 V168 D169 | E161-P165 VanDerWaalsContact O-CD 3.3Å; E161-P165 WeakPolarHBondContact O-CD 3.33Å; A162-P165 WeakPolarHBondContact O-CD 3.49Å; P165-I167 VanDerWaalsContact C-N 3.34Å; P165-I167 PolarHBondContact O-N 3.22Å; P165-V168 PolarHBondContact O-N 3.45Å; P165-D169 WeakPolarHBondContact O-CB 3.5Å; P165-D169 PolarHBondContact O-N 3.32Å |
| 166 | Q | 88 | Confident | 86.6 | Confident | 143 Ų | 143 | 104.2 Ų | 104.2 | 67% | 0.668 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.9 | -38 | 179.2 | -169.7 | 179.9 | 16.7 | 0 | 0 | 111.9 | D163 M164 R170 | D163-Q166 PolarHBondContact O-N 3Å; M164-Q166 VanDerWaalsContact C-N 3.33Å; M164-Q166 PolarHBondContact O-N 3.03Å; Q166-R170 WeakPolarHBondContact O-CB 3.47Å; Q166-R170 PolarHBondContact O-N 3.5Å |
| 167 | I | 86.2 | Confident | 86.8 | Confident | 79 Ų | 79 | 102 Ų | 102 | 41% | 0.405 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 174.6 | -66 | 166.3 | 0 | 0 | 0 | 110.4 | D163 M164 P165 R170 L171 | D163-I167 HydrophobicContact CB-CD1 4.49Å; D163-I167 WeakPolarHBondContact O-CG1 3.41Å; D163-I167 PolarHBondContact O-N 3.36Å; D163-I167 VanDerWaalsContact O-N 3.1Å; M164-I167 PolarHBondContact O-N 3.35Å; P165-I167 VanDerWaalsContact C-N 3.34Å; P165-I167 PolarHBondContact O-N 3.22Å; I167-R170 PolarHBondContact O-N 3Å; I167-L171 HydrophobicContact CG2-CD1 4.08Å; I167-L171 WeakPolarHBondContact O-CG 3.26Å; I167-L171 PolarHBondContact O-N 2.87Å |
| 168 | V | 86.5 | Confident | 86.9 | Confident | 66 Ų | 66 | 102.5 Ų | 102.5 | 40% | 0.4 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 177.4 | 169.6 | 0 | 0 | 0 | 0 | 111 | M164 P165 R170 L171 N172 | M164-V168 HydrophobicContact CG-CG2 4.42Å; M164-V168 VanDerWaalsContact O-CG2 3.31Å; M164-V168 WeakPolarHBondContact O-CG2 3.46Å; M164-V168 PolarHBondContact O-N 2.99Å; P165-V168 PolarHBondContact O-N 3.45Å; V168-R170 VanDerWaalsContact C-N 3.34Å; V168-R170 PolarHBondContact O-N 2.66Å; V168-L171 PolarHBondContact O-N 3.45Å; V168-N172 WeakPolarHBondContact CG1-ND2 3.33Å; V168-N172 WeakPolarHBondContact O-CB 3.35Å; V168-N172 PolarHBondContact O-N 3.4Å; V168-N172 PolarHBondContact O-ND2 3.49Å |
| 169 | D | 90.2 | Very high | 87 | Confident | 110 Ų | 110 | 100.2 Ų | 100.2 | 59% | 0.588 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.5 | -42.5 | 177.3 | -74.6 | -19.6 | 0 | 0 | 0 | 111.9 | P165 N172 S173 | P165-D169 WeakPolarHBondContact O-CB 3.5Å; P165-D169 PolarHBondContact O-N 3.32Å; D169-N172 PolarHBondContact O-N 2.89Å; D169-S173 PolarHBondContact O-N 3.49Å |
| 170 | R | 92.9 | Very high | 87.4 | Confident | 157 Ų | 157 | 96.6 Ų | 96.6 | 59% | 0.592 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.1 | -49.4 | 174.6 | -170.1 | -175.7 | 76.6 | -161.8 | 1.9 | 111.3 | Q166 I167 V168 N172 S173 E174 | Q166-R170 WeakPolarHBondContact O-CB 3.47Å; Q166-R170 PolarHBondContact O-N 3.5Å; I167-R170 PolarHBondContact O-N 3Å; V168-R170 VanDerWaalsContact C-N 3.34Å; V168-R170 PolarHBondContact O-N 2.66Å; R170-N172 VanDerWaalsContact C-N 3.34Å; R170-N172 PolarHBondContact O-N 2.91Å; R170-S173 PolarHBondContact O-N 3.21Å; R170-S173 PolarHBondContact O-OG 3.43Å; R170-E174 PolarHBondContact O-N 3.06Å; R170-E174 VanDerWaalsContact O-N 3.08Å |
| 171 | L | 91.9 | Very high | 87.7 | Confident | 80 Ų | 80 | 98.2 Ų | 98.2 | 42% | 0.419 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 178.9 | -72.1 | 172.5 | 0 | 0 | 0 | 111.8 | I167 V168 S173 E174 I175 | I167-L171 HydrophobicContact CG2-CD1 4.08Å; I167-L171 WeakPolarHBondContact O-CG 3.26Å; I167-L171 PolarHBondContact O-N 2.87Å; V168-L171 PolarHBondContact O-N 3.45Å; L171-S173 VanDerWaalsContact C-N 3.32Å; L171-S173 PolarHBondContact O-N 2.96Å; L171-E174 PolarHBondContact O-N 3.49Å; L171-I175 WeakPolarHBondContact O-CG1 3.47Å; L171-I175 PolarHBondContact O-N 3.2Å |
| 172 | N | 89.8 | Confident | 87.9 | Confident | 70 Ų | 70 | 98 Ų | 98 | 37% | 0.374 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -39.1 | 175.4 | -78.1 | -29.7 | 0 | 0 | 0 | 112.1 | V168 D169 R170 I175 R176 | V168-N172 WeakPolarHBondContact CG1-ND2 3.33Å; V168-N172 WeakPolarHBondContact O-CB 3.35Å; V168-N172 PolarHBondContact O-N 3.4Å; V168-N172 PolarHBondContact O-ND2 3.49Å; D169-N172 PolarHBondContact O-N 2.89Å; R170-N172 VanDerWaalsContact C-N 3.34Å; R170-N172 PolarHBondContact O-N 2.91Å; N172-I175 PolarHBondContact O-N 3.31Å; N172-R176 WeakPolarHBondContact O-CG 3.31Å; N172-R176 PolarHBondContact O-N 3.45Å |
| 173 | S | 92.3 | Very high | 88.3 | Confident | 64 Ų | 64 | 101.9 Ų | 101.9 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.4 | -37.8 | 175.4 | 78.1 | 0 | 0 | 0 | 0 | 112.6 | D169 R170 L171 R176 T177 | D169-S173 PolarHBondContact O-N 3.49Å; R170-S173 PolarHBondContact O-N 3.21Å; R170-S173 PolarHBondContact O-OG 3.43Å; L171-S173 VanDerWaalsContact C-N 3.32Å; L171-S173 PolarHBondContact O-N 2.96Å; S173-R176 PolarHBondContact O-N 3.47Å; S173-T177 PolarHBondContact O-N 2.88Å; S173-T177 PolarHBondContact O-OG1 3.28Å |
| 174 | E | 91 | Very high | 88.3 | Confident | 109 Ų | 109 | 103.6 Ų | 103.6 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.8 | -42.7 | 177.3 | -171.1 | 171.6 | -176.9 | 0 | 0 | 111.2 | R170 L171 R176 T177 L178 | R170-E174 PolarHBondContact O-N 3.06Å; R170-E174 VanDerWaalsContact O-N 3.08Å; L171-E174 PolarHBondContact O-N 3.49Å; E174-R176 PolarHBondContact O-N 2.9Å; E174-T177 WeakPolarHBondContact O-CB 3.38Å; E174-T177 PolarHBondContact O-N 3.22Å; E174-L178 HydrophobicContact CG-CD1 4.32Å; E174-L178 WeakPolarHBondContact O-CG 3.42Å; E174-L178 PolarHBondContact O-N 3.39Å |
| 175 | I | 87.2 | Confident | 88.7 | Confident | 85 Ų | 85 | 105.3 Ų | 105.3 | 44% | 0.436 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.1 | -47.6 | 173.8 | -70.7 | 167.4 | 0 | 0 | 0 | 110.8 | L171 N172 T177 L178 Q179 | L171-I175 WeakPolarHBondContact O-CG1 3.47Å; L171-I175 PolarHBondContact O-N 3.2Å; N172-I175 PolarHBondContact O-N 3.31Å; I175-T177 VanDerWaalsContact C-N 3.3Å; I175-T177 PolarHBondContact O-N 3.08Å; I175-L178 PolarHBondContact O-N 3.05Å; I175-Q179 HydrophobicContact CG2-CG 4.4Å; I175-Q179 WeakPolarHBondContact O-CB 3.48Å; I175-Q179 VanDerWaalsContact O-CG 3.31Å; I175-Q179 WeakPolarHBondContact O-CG 3.28Å; I175-Q179 PolarHBondContact O-N 3.46Å |
| 176 | R | 89.3 | Confident | 88.5 | Confident | 173 Ų | 173 | 106 Ų | 106 | 65% | 0.653 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.9 | -42 | 177.1 | -71.3 | 179.4 | -164 | 175.8 | 5.9 | 111.7 | N172 S173 E174 Q179 I180 | N172-R176 WeakPolarHBondContact O-CG 3.31Å; N172-R176 PolarHBondContact O-N 3.45Å; S173-R176 PolarHBondContact O-N 3.47Å; E174-R176 PolarHBondContact O-N 2.9Å; R176-Q179 PolarHBondContact O-N 3.26Å; R176-I180 WeakPolarHBondContact O-CG1 3.47Å; R176-I180 PolarHBondContact O-N 2.92Å |
| 177 | T | 89.1 | Confident | 88.5 | Confident | 74 Ų | 74 | 104.8 Ų | 104.8 | 45% | 0.454 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 177.7 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | S173 E174 I175 I180 R181 | S173-T177 PolarHBondContact O-N 2.88Å; S173-T177 PolarHBondContact O-OG1 3.28Å; E174-T177 WeakPolarHBondContact O-CB 3.38Å; E174-T177 PolarHBondContact O-N 3.22Å; I175-T177 VanDerWaalsContact C-N 3.3Å; I175-T177 PolarHBondContact O-N 3.08Å; T177-I180 PolarHBondContact O-N 3.09Å; T177-R181 PolarHBondContact O-N 3.14Å |
| 178 | L | 88.6 | Confident | 88.5 | Confident | 87 Ų | 87 | 106 Ų | 106 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 176.8 | -72 | 172.5 | 0 | 0 | 0 | 112.1 | E174 I175 R181 L182 | E174-L178 HydrophobicContact CG-CD1 4.32Å; E174-L178 WeakPolarHBondContact O-CG 3.42Å; E174-L178 PolarHBondContact O-N 3.39Å; I175-L178 PolarHBondContact O-N 3.05Å; L178-R181 PolarHBondContact O-N 3.49Å; L178-L182 WeakPolarHBondContact O-CB 3.31Å; L178-L182 PolarHBondContact O-N 3.39Å |
| 179 | Q | 87 | Confident | 88.4 | Confident | 94 Ų | 94 | 106.4 Ų | 106.4 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 175.8 | -74.7 | 174.7 | -19.8 | 0 | 0 | 112.4 | I175 R176 L182 R183 | I175-Q179 HydrophobicContact CG2-CG 4.4Å; I175-Q179 WeakPolarHBondContact O-CB 3.48Å; I175-Q179 VanDerWaalsContact O-CG 3.31Å; I175-Q179 WeakPolarHBondContact O-CG 3.28Å; I175-Q179 PolarHBondContact O-N 3.46Å; R176-Q179 PolarHBondContact O-N 3.26Å; Q179-L182 PolarHBondContact O-N 2.75Å; Q179-R183 WeakPolarHBondContact O-CG 3.4Å; Q179-R183 PolarHBondContact O-N 3.27Å |
| 180 | I | 89.6 | Confident | 88.1 | Confident | 91 Ų | 91 | 104.1 Ų | 104.1 | 47% | 0.467 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -50.8 | 174.9 | -67.8 | 165.5 | 0 | 0 | 0 | 109.8 | R176 T177 L182 R183 D184 | R176-I180 WeakPolarHBondContact O-CG1 3.47Å; R176-I180 PolarHBondContact O-N 2.92Å; T177-I180 PolarHBondContact O-N 3.09Å; I180-L182 VanDerWaalsContact C-N 3.26Å; I180-L182 PolarHBondContact O-N 3.41Å; I180-R183 WeakPolarHBondContact O-CB 3.41Å; I180-R183 PolarHBondContact O-N 3.39Å; I180-D184 PolarHBondContact O-N 3.46Å |
| 181 | R | 87 | Confident | 87.6 | Confident | 142 Ų | 142 | 98.4 Ų | 98.4 | 54% | 0.536 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.8 | -37.7 | 179.2 | -170.9 | -176.7 | -64.2 | 151.1 | 1.3 | 112.4 | T177 L178 K185 | T177-R181 PolarHBondContact O-N 3.14Å; L178-R181 PolarHBondContact O-N 3.49Å; R181-K185 WeakPolarHBondContact O-CB 3.4Å; R181-K185 WeakPolarHBondContact O-CG 3.36Å; R181-K185 PolarHBondContact O-N 3.42Å |
| 182 | L | 85.1 | Confident | 87.4 | Confident | 118 Ų | 118 | 98.1 Ų | 98.1 | 62% | 0.618 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.8 | -44.5 | 176 | -176.3 | 64.5 | 0 | 0 | 0 | 111.4 | L178 Q179 I180 K185 T186 | L178-L182 WeakPolarHBondContact O-CB 3.31Å; L178-L182 PolarHBondContact O-N 3.39Å; Q179-L182 PolarHBondContact O-N 2.75Å; I180-L182 VanDerWaalsContact C-N 3.26Å; I180-L182 PolarHBondContact O-N 3.41Å; L182-K185 PolarHBondContact O-N 3.36Å; L182-T186 PolarHBondContact O-N 3.27Å; L182-T186 PolarHBondContact O-OG1 3.04Å |
| 183 | R | 88.6 | Confident | 87 | Confident | 154 Ų | 154 | 100 Ų | 100 | 58% | 0.581 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.5 | -45.5 | 175.9 | -71.1 | -177.5 | -171.3 | 120.1 | 0.1 | 111.8 | Q179 I180 K185 T186 L187 | Q179-R183 WeakPolarHBondContact O-CG 3.4Å; Q179-R183 PolarHBondContact O-N 3.27Å; I180-R183 WeakPolarHBondContact O-CB 3.41Å; I180-R183 PolarHBondContact O-N 3.39Å; R183-K185 VanDerWaalsContact C-N 3.33Å; R183-K185 PolarHBondContact O-N 3.14Å; R183-T186 PolarHBondContact O-N 3.28Å; R183-L187 WeakPolarHBondContact O-CG 3.31Å; R183-L187 PolarHBondContact O-N 3.35Å |
| 184 | D | 86 | Confident | 86.8 | Confident | 96 Ų | 96 | 105 Ų | 105 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 178.4 | -64.8 | -19.8 | 0 | 0 | 0 | 111.5 | I180 L187 Q188 | I180-D184 PolarHBondContact O-N 3.46Å; D184-L187 PolarHBondContact O-N 2.95Å; D184-Q188 WeakPolarHBondContact O-CB 3.47Å; D184-Q188 PolarHBondContact O-N 2.92Å |
| 185 | K | 88.2 | Confident | 86.8 | Confident | 145 Ų | 145 | 106.1 Ų | 106.1 | 63% | 0.63 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.5 | -36.7 | 176.4 | -73 | -66.8 | -176.3 | -176.3 | 0 | 112.7 | R181 L182 R183 Q188 S189 | R181-K185 WeakPolarHBondContact O-CB 3.4Å; R181-K185 WeakPolarHBondContact O-CG 3.36Å; R181-K185 PolarHBondContact O-N 3.42Å; L182-K185 PolarHBondContact O-N 3.36Å; R183-K185 VanDerWaalsContact C-N 3.33Å; R183-K185 PolarHBondContact O-N 3.14Å; K185-Q188 PolarHBondContact O-N 3.01Å; K185-S189 WeakPolarHBondContact O-CB 3.5Å; K185-S189 PolarHBondContact O-N 3.27Å |
| 186 | T | 84.4 | Confident | 86.7 | Confident | 88 Ų | 88 | 105.9 Ų | 105.9 | 54% | 0.54 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.7 | -42.8 | 174.4 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | L182 R183 S189 S190 | L182-T186 PolarHBondContact O-N 3.27Å; L182-T186 PolarHBondContact O-OG1 3.04Å; R183-T186 PolarHBondContact O-N 3.28Å; T186-S189 PolarHBondContact O-N 2.94Å; T186-S190 PolarHBondContact O-N 3.36Å |
| 187 | L | 87.9 | Confident | 86.6 | Confident | 119 Ų | 119 | 100.3 Ų | 100.3 | 62% | 0.623 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.7 | -42.7 | 175.2 | -73 | 173.3 | 0 | 0 | 0 | 111.6 | R183 D184 S190 A191 | R183-L187 WeakPolarHBondContact O-CG 3.31Å; R183-L187 PolarHBondContact O-N 3.35Å; D184-L187 PolarHBondContact O-N 2.95Å; L187-S190 PolarHBondContact O-N 3.38Å; L187-A191 PolarHBondContact O-N 3.16Å |
| 188 | Q | 85.6 | Confident | 86.7 | Confident | 104 Ų | 104 | 101.2 Ų | 101.2 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 174.8 | -174.2 | 60.9 | 48.8 | 0 | 0 | 111.4 | D184 K185 S190 A191 D192 | D184-Q188 WeakPolarHBondContact O-CB 3.47Å; D184-Q188 PolarHBondContact O-N 2.92Å; K185-Q188 PolarHBondContact O-N 3.01Å; Q188-S190 VanDerWaalsContact C-N 3.32Å; Q188-S190 PolarHBondContact O-N 2.72Å; Q188-A191 WeakPolarHBondContact O-CB 3Å; Q188-A191 PolarHBondContact O-N 3.05Å; Q188-A191 VanDerWaalsContact O-N 3.15Å; Q188-D192 PolarHBondContact NE2-OD1 3.44Å; Q188-D192 PolarHBondContact NE2-OD2 3.46Å; Q188-D192 VanDerWaalsContact O-CG 3.27Å; Q188-D192 PolarHBondContact O-N 2.85Å |
| 189 | S | 84.5 | Confident | 86.8 | Confident | 75 Ų | 75 | 101.1 Ų | 101.1 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 176.8 | -177.1 | 0 | 0 | 0 | 0 | 112.3 | K185 T186 D192 Q193 | K185-S189 WeakPolarHBondContact O-CB 3.5Å; K185-S189 PolarHBondContact O-N 3.27Å; T186-S189 PolarHBondContact O-N 2.94Å; S189-D192 PolarHBondContact O-N 3.24Å; S189-Q193 WeakPolarHBondContact O-CB 3.42Å; S189-Q193 PolarHBondContact O-N 3.38Å |
| 190 | S | 84.1 | Confident | 86.9 | Confident | 62 Ų | 62 | 102.3 Ų | 102.3 | 43% | 0.434 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 175.6 | 179.4 | 0 | 0 | 0 | 0 | 113.1 | T186 L187 Q188 R194 | T186-S190 PolarHBondContact O-N 3.36Å; L187-S190 PolarHBondContact O-N 3.38Å; Q188-S190 VanDerWaalsContact C-N 3.32Å; Q188-S190 PolarHBondContact O-N 2.72Å; S190-R194 PolarHBondContact O-N 3.02Å |
| 191 | A | 83.3 | Confident | 87.1 | Confident | 36 Ų | 36 | 104 Ų | 104 | 30% | 0.298 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -43.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L187 Q188 R194 K195 | L187-A191 PolarHBondContact O-N 3.16Å; Q188-A191 WeakPolarHBondContact O-CB 3Å; Q188-A191 PolarHBondContact O-N 3.05Å; Q188-A191 VanDerWaalsContact O-N 3.15Å; A191-R194 PolarHBondContact O-N 3.44Å; A191-K195 PolarHBondContact O-N 3.38Å; A191-K195 VanDerWaalsContact O-N 3.09Å |
| 192 | D | 86.8 | Confident | 87.3 | Confident | 75 Ų | 75 | 103.9 Ų | 103.9 | 40% | 0.401 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 177.7 | -66.3 | -21.7 | 0 | 0 | 0 | 111.2 | Q188 S189 R194 K195 I196 | Q188-D192 PolarHBondContact NE2-OD1 3.44Å; Q188-D192 PolarHBondContact NE2-OD2 3.46Å; Q188-D192 VanDerWaalsContact O-CG 3.27Å; Q188-D192 PolarHBondContact O-N 2.85Å; S189-D192 PolarHBondContact O-N 3.24Å; D192-R194 PolarHBondContact O-N 2.91Å; D192-K195 WeakPolarHBondContact O-CB 3.47Å; D192-K195 PolarHBondContact O-N 3.32Å; D192-I196 WeakPolarHBondContact O-CG1 3.3Å; D192-I196 PolarHBondContact O-N 3.33Å |
| 193 | Q | 82.1 | Confident | 87.5 | Confident | 108 Ų | 108 | 101.7 Ų | 101.7 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 176 | -173.1 | 61.2 | 38.1 | 0 | 0 | 112.1 | S189 K195 I196 S197 | S189-Q193 WeakPolarHBondContact O-CB 3.42Å; S189-Q193 PolarHBondContact O-N 3.38Å; Q193-K195 VanDerWaalsContact C-N 3.35Å; Q193-K195 PolarHBondContact O-N 2.94Å; Q193-I196 PolarHBondContact O-N 2.72Å; Q193-S197 PolarHBondContact O-N 3.38Å; Q193-S197 PolarHBondContact O-OG 2.85Å |
| 194 | R | 87.9 | Confident | 87.7 | Confident | 169 Ų | 169 | 101.3 Ų | 101.3 | 64% | 0.638 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.8 | -42.7 | 175 | -77 | -175.1 | -73.8 | 162.1 | -3.8 | 111.9 | S190 A191 D192 I196 S197 E198 | S190-R194 PolarHBondContact O-N 3.02Å; A191-R194 PolarHBondContact O-N 3.44Å; D192-R194 PolarHBondContact O-N 2.91Å; R194-I196 VanDerWaalsContact C-N 3.34Å; R194-I196 PolarHBondContact O-N 3.06Å; R194-S197 PolarHBondContact O-N 3.27Å; R194-E198 PolarHBondContact O-N 2.97Å |
| 195 | K | 90.6 | Very high | 88.1 | Confident | 134 Ų | 134 | 101.2 Ų | 101.2 | 58% | 0.583 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.6 | -39.3 | 176.8 | -171.4 | 176.4 | -178.6 | 178.8 | 0 | 111.9 | A191 D192 Q193 E198 L199 | A191-K195 PolarHBondContact O-N 3.38Å; A191-K195 VanDerWaalsContact O-N 3.09Å; D192-K195 WeakPolarHBondContact O-CB 3.47Å; D192-K195 PolarHBondContact O-N 3.32Å; Q193-K195 VanDerWaalsContact C-N 3.35Å; Q193-K195 PolarHBondContact O-N 2.94Å; K195-E198 PolarHBondContact O-N 2.95Å; K195-L199 HydrophobicContact CG-CD1 4.36Å; K195-L199 WeakPolarHBondContact O-CB 3.32Å; K195-L199 VanDerWaalsContact O-CG 3.28Å; K195-L199 WeakPolarHBondContact O-CG 3.48Å; K195-L199 PolarHBondContact O-N 3.08Å |
| 196 | I | 84.6 | Confident | 88.3 | Confident | 80 Ų | 80 | 99.9 Ų | 99.9 | 41% | 0.41 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 174.7 | -70.6 | 167 | 0 | 0 | 0 | 110.5 | D192 Q193 R194 E198 L199 Q200 | D192-I196 WeakPolarHBondContact O-CG1 3.3Å; D192-I196 PolarHBondContact O-N 3.33Å; Q193-I196 PolarHBondContact O-N 2.72Å; R194-I196 VanDerWaalsContact C-N 3.34Å; R194-I196 PolarHBondContact O-N 3.06Å; I196-E198 PolarHBondContact O-N 3.05Å; I196-L199 PolarHBondContact O-N 3.19Å; I196-Q200 HydrophobicContact CG2-CG 4.41Å; I196-Q200 WeakPolarHBondContact O-CG 3.37Å; I196-Q200 PolarHBondContact O-N 3.05Å |
| 197 | S | 88.6 | Confident | 88.5 | Confident | 56 Ų | 56 | 101 Ų | 101 | 39% | 0.392 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 178.1 | -63.9 | 0 | 0 | 0 | 0 | 112.8 | Q193 R194 Q200 Q201 | Q193-S197 PolarHBondContact O-N 3.38Å; Q193-S197 PolarHBondContact O-OG 2.85Å; R194-S197 PolarHBondContact O-N 3.27Å; S197-Q200 PolarHBondContact O-N 3.2Å; S197-Q201 PolarHBondContact O-N 2.91Å |
| 198 | E | 89.3 | Confident | 88.6 | Confident | 92 Ų | 92 | 100.3 Ų | 100.3 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 174.4 | -172.5 | -173.5 | 171.4 | 0 | 0 | 111.8 | R194 K195 I196 Q201 R202 | R194-E198 PolarHBondContact O-N 2.97Å; K195-E198 PolarHBondContact O-N 2.95Å; I196-E198 PolarHBondContact O-N 3.05Å; E198-Q201 PolarHBondContact O-N 3.32Å; E198-R202 WeakPolarHBondContact O-CG 3.44Å; E198-R202 PolarHBondContact O-N 3.35Å; E198-R202 IonicContact OE1-CZ 3.31Å; E198-R202 VanDerWaalsContact OE1-CZ 3.31Å; E198-R202 IonicContact OE1-NE 3.36Å; E198-R202 PolarHBondContact OE1-NE 3.17Å; E198-R202 IonicContact OE1-NH2 2.65Å; E198-R202 PolarHBondContact OE1-NH2 3.1Å |
| 199 | L | 92 | Very high | 88.8 | Confident | 86 Ų | 86 | 98.3 Ų | 98.3 | 45% | 0.45 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 176.1 | -72.9 | 172.7 | 0 | 0 | 0 | 111.8 | K195 I196 Q201 R202 I203 | K195-L199 HydrophobicContact CG-CD1 4.36Å; K195-L199 WeakPolarHBondContact O-CB 3.32Å; K195-L199 VanDerWaalsContact O-CG 3.28Å; K195-L199 WeakPolarHBondContact O-CG 3.48Å; K195-L199 PolarHBondContact O-N 3.08Å; I196-L199 PolarHBondContact O-N 3.19Å; L199-Q201 PolarHBondContact O-N 3.34Å; L199-R202 PolarHBondContact O-N 2.93Å; L199-I203 VanDerWaalsContact O-CG1 3.29Å; L199-I203 WeakPolarHBondContact O-CG1 3.3Å; L199-I203 PolarHBondContact O-N 3.46Å |
| 200 | Q | 88.8 | Confident | 88.6 | Confident | 119 Ų | 119 | 98.5 Ų | 98.5 | 56% | 0.556 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.8 | -43.3 | 174.7 | -75 | 174.3 | -32.1 | 0 | 0 | 111.7 | I196 S197 I203 Y204 | I196-Q200 HydrophobicContact CG2-CG 4.41Å; I196-Q200 WeakPolarHBondContact O-CG 3.37Å; I196-Q200 PolarHBondContact O-N 3.05Å; S197-Q200 PolarHBondContact O-N 3.2Å; Q200-I203 PolarHBondContact O-N 3.06Å; Q200-Y204 WeakPolarHBondContact O-CB 3.43Å; Q200-Y204 PolarHBondContact O-N 3.44Å |
| 201 | Q | 93.4 | Very high | 88.5 | Confident | 126 Ų | 126 | 100.2 Ų | 100.2 | 59% | 0.589 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.7 | -41.1 | 176 | -172.6 | 179.2 | 10.5 | 0 | 0 | 112 | S197 E198 L199 Y204 L205 | S197-Q201 PolarHBondContact O-N 2.91Å; E198-Q201 PolarHBondContact O-N 3.32Å; L199-Q201 PolarHBondContact O-N 3.34Å; Q201-Y204 PolarHBondContact O-N 3Å; Q201-L205 WeakPolarHBondContact O-CG 3.37Å; Q201-L205 PolarHBondContact O-N 3.3Å |
| 202 | R | 91.1 | Very high | 88.4 | Confident | 140 Ų | 140 | 103.8 Ų | 103.8 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 175.5 | -71.6 | 176.3 | -175.5 | -156.8 | 2.2 | 111.9 | E198 L199 L205 L206 | E198-R202 WeakPolarHBondContact O-CG 3.44Å; E198-R202 PolarHBondContact O-N 3.35Å; E198-R202 IonicContact OE1-CZ 3.31Å; E198-R202 VanDerWaalsContact OE1-CZ 3.31Å; E198-R202 IonicContact OE1-NE 3.36Å; E198-R202 PolarHBondContact OE1-NE 3.17Å; E198-R202 IonicContact OE1-NH2 2.65Å; E198-R202 PolarHBondContact OE1-NH2 3.1Å; L199-R202 PolarHBondContact O-N 2.93Å; R202-L205 PolarHBondContact O-N 3.44Å; R202-L206 WeakPolarHBondContact O-CB 3.5Å; R202-L206 VanDerWaalsContact O-CG 3.29Å; R202-L206 WeakPolarHBondContact O-CG 3.35Å; R202-L206 PolarHBondContact O-N 3.06Å |
| 203 | I | 90.6 | Very high | 88.1 | Confident | 71 Ų | 71 | 107.2 Ų | 107.2 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 175.8 | -70.9 | 165.9 | 0 | 0 | 0 | 110 | L199 Q200 L205 L206 E207 | L199-I203 VanDerWaalsContact O-CG1 3.29Å; L199-I203 WeakPolarHBondContact O-CG1 3.3Å; L199-I203 PolarHBondContact O-N 3.46Å; Q200-I203 PolarHBondContact O-N 3.06Å; I203-L205 PolarHBondContact O-N 3.43Å; I203-L206 WeakPolarHBondContact O-CB 3.43Å; I203-L206 PolarHBondContact O-N 3.06Å; I203-L206 VanDerWaalsContact O-N 3.1Å; I203-E207 HydrophobicContact CG2-CG 4.25Å; I203-E207 WeakPolarHBondContact O-CG 3.35Å; I203-E207 PolarHBondContact O-N 3.2Å |
| 204 | Y | 92.2 | Very high | 87.5 | Confident | 146 Ų | 146 | 106.4 Ų | 106.4 | 57% | 0.573 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.1 | -43.6 | 178 | 174.6 | -100.6 | 0 | 0 | 0 | 113 | Q200 Q201 E207 K208 | Q200-Y204 WeakPolarHBondContact O-CB 3.43Å; Q200-Y204 PolarHBondContact O-N 3.44Å; Q201-Y204 PolarHBondContact O-N 3Å; Y204-E207 PolarHBondContact O-N 3.28Å; Y204-K208 WeakPolarHBondContact O-CB 3.28Å; Y204-K208 PolarHBondContact O-N 3.37Å |
| 205 | L | 93.7 | Very high | 86.4 | Confident | 95 Ų | 95 | 104.9 Ų | 104.9 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 175.5 | -72.6 | 173.1 | 0 | 0 | 0 | 111.9 | Q201 R202 I203 K208 T209 | Q201-L205 WeakPolarHBondContact O-CG 3.37Å; Q201-L205 PolarHBondContact O-N 3.3Å; R202-L205 PolarHBondContact O-N 3.44Å; I203-L205 PolarHBondContact O-N 3.43Å; L205-K208 PolarHBondContact O-N 3.03Å; L205-T209 WeakPolarHBondContact O-CG2 3.35Å; L205-T209 PolarHBondContact O-N 3.44Å; L205-T209 PolarHBondContact O-OG1 3.14Å |
| 206 | L | 93 | Very high | 84.9 | Confident | 116 Ų | 116 | 107 Ų | 107 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.9 | -45.3 | 177 | -73.3 | 170.7 | 0 | 0 | 0 | 111.7 | R202 I203 K208 T209 F210 | R202-L206 WeakPolarHBondContact O-CB 3.5Å; R202-L206 VanDerWaalsContact O-CG 3.29Å; R202-L206 WeakPolarHBondContact O-CG 3.35Å; R202-L206 PolarHBondContact O-N 3.06Å; I203-L206 WeakPolarHBondContact O-CB 3.43Å; I203-L206 PolarHBondContact O-N 3.06Å; I203-L206 VanDerWaalsContact O-N 3.1Å; L206-K208 VanDerWaalsContact C-N 3.34Å; L206-K208 PolarHBondContact O-N 2.92Å; L206-T209 WeakPolarHBondContact CA-OG1 3.45Å; L206-T209 PolarHBondContact O-N 3.34Å; L206-T209 PolarHBondContact O-OG1 3.38Å; L206-F210 WeakPolarHBondContact O-CB 3.47Å; L206-F210 PolarHBondContact O-N 3.47Å |
| 207 | E | 89 | Confident | 83.4 | Confident | 111 Ų | 111 | 105.6 Ų | 105.6 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57 | -47.8 | 174.5 | -72.7 | 173.7 | 159.5 | 0 | 0 | 110.7 | I203 Y204 T209 F210 D211 | I203-E207 HydrophobicContact CG2-CG 4.25Å; I203-E207 WeakPolarHBondContact O-CG 3.35Å; I203-E207 PolarHBondContact O-N 3.2Å; Y204-E207 PolarHBondContact O-N 3.28Å; E207-T209 PolarHBondContact O-N 2.82Å; E207-F210 WeakPolarHBondContact O-CB 3.49Å; E207-F210 PolarHBondContact O-N 3.07Å; E207-F210 VanDerWaalsContact O-N 3.12Å; E207-D211 PolarHBondContact O-N 3.49Å |
| 208 | K | 90.4 | Very high | 81.5 | Confident | 105 Ų | 105 | 110.6 Ų | 110.6 | 46% | 0.457 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.9 | -46 | 176.1 | -173.7 | 179.7 | 177.3 | -176.2 | 0 | 112.7 | Y204 L205 L206 F210 D211 E212 | Y204-K208 WeakPolarHBondContact O-CB 3.28Å; Y204-K208 PolarHBondContact O-N 3.37Å; L205-K208 PolarHBondContact O-N 3.03Å; L206-K208 VanDerWaalsContact C-N 3.34Å; L206-K208 PolarHBondContact O-N 2.92Å; K208-F210 VanDerWaalsContact C-N 3.27Å; K208-F210 PolarHBondContact O-N 3.13Å; K208-D211 PolarHBondContact O-N 3.45Å; K208-E212 VanDerWaalsContact CE-OE1 3.3Å; K208-E212 WeakPolarHBondContact CE-OE1 3.36Å; K208-E212 WeakPolarHBondContact O-CG 3.37Å; K208-E212 PolarHBondContact O-N 3.46Å; K208-E212 VanDerWaalsContact O-N 3.1Å |
| 209 | T | 88.7 | Confident | 79.8 | Confident | 62 Ų | 62 | 116.8 Ų | 116.8 | 38% | 0.38 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.2 | -27.9 | 177.5 | 59.6 | 0 | 0 | 0 | 0 | 112.9 | L205 L206 E207 K213 | L205-T209 WeakPolarHBondContact O-CG2 3.35Å; L205-T209 PolarHBondContact O-N 3.44Å; L205-T209 PolarHBondContact O-OG1 3.14Å; L206-T209 WeakPolarHBondContact CA-OG1 3.45Å; L206-T209 PolarHBondContact O-N 3.34Å; L206-T209 PolarHBondContact O-OG1 3.38Å; E207-T209 PolarHBondContact O-N 2.82Å; T209-K213 WeakPolarHBondContact O-CG 3.31Å; T209-K213 PolarHBondContact O-N 3.07Å; T209-K213 VanDerWaalsContact O-N 3.16Å |
| 210 | F | 80.9 | Confident | 78 | Confident | 80 Ų | 80 | 116.7 Ų | 116.7 | 35% | 0.351 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.9 | -45 | 176 | -174 | -94 | 0 | 0 | 0 | 110.6 | L206 E207 K208 E212 K213 N214 L230 | L206-F210 WeakPolarHBondContact O-CB 3.47Å; L206-F210 PolarHBondContact O-N 3.47Å; E207-F210 WeakPolarHBondContact O-CB 3.49Å; E207-F210 PolarHBondContact O-N 3.07Å; E207-F210 VanDerWaalsContact O-N 3.12Å; K208-F210 VanDerWaalsContact C-N 3.27Å; K208-F210 PolarHBondContact O-N 3.13Å; F210-E212 VanDerWaalsContact C-N 3.35Å; F210-E212 PolarHBondContact O-N 3.42Å; F210-K213 PolarHBondContact O-N 2.95Å; F210-N214 HydrophobicContact CE1-CB 4.44Å; F210-N214 VanDerWaalsContact O-CB 3.29Å; F210-N214 WeakPolarHBondContact O-CB 3.46Å; F210-N214 PolarHBondContact O-N 3.45Å; F210-L230 HydrophobicContact CD1-CD2 4.14Å; F210-L230 HydrophobicContact CD2-CD2 4.27Å; F210-L230 HydrophobicContact CE1-CD2 3.52Å; F210-L230 HydrophobicContact CE2-CD2 3.69Å; F210-L230 HydrophobicContact CG-CD2 4.49Å; F210-L230 HydrophobicContact CZ-CD2 3.28Å |
| 211 | D | 82 | Confident | 76.6 | Confident | 98 Ų | 98 | 117.8 Ų | 117.8 | 52% | 0.524 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62 | -40.9 | 176.1 | -69.5 | -23 | 0 | 0 | 0 | 112 | E207 K208 N214 N215 | E207-D211 PolarHBondContact O-N 3.49Å; K208-D211 PolarHBondContact O-N 3.45Å; D211-N214 PolarHBondContact O-N 3.33Å; D211-N215 PolarHBondContact O-N 3.12Å; D211-N215 PolarHBondContact O-ND2 3.36Å; D211-N215 VanDerWaalsContact O-ND2 3.16Å |
| 212 | E | 81.8 | Confident | 75.3 | Confident | 110 Ų | 110 | 118.5 Ų | 118.5 | 51% | 0.514 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.3 | -42.1 | 175.3 | -73.7 | 171.1 | -171.6 | 0 | 0 | 112.4 | K208 F210 | K208-E212 VanDerWaalsContact CE-OE1 3.3Å; K208-E212 WeakPolarHBondContact CE-OE1 3.36Å; K208-E212 WeakPolarHBondContact O-CG 3.37Å; K208-E212 PolarHBondContact O-N 3.46Å; K208-E212 VanDerWaalsContact O-N 3.1Å; F210-E212 VanDerWaalsContact C-N 3.35Å; F210-E212 PolarHBondContact O-N 3.42Å |
| 213 | K | 80.2 | Confident | 74.3 | Confident | 148 Ų | 148 | 113.1 Ų | 113.1 | 64% | 0.643 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -73.1 | -37.8 | 177.8 | -75.5 | -176.9 | 178.5 | -177.8 | 0 | 113 | T209 F210 N215 Q216 S217 | T209-K213 WeakPolarHBondContact O-CG 3.31Å; T209-K213 PolarHBondContact O-N 3.07Å; T209-K213 VanDerWaalsContact O-N 3.16Å; F210-K213 PolarHBondContact O-N 2.95Å; K213-N215 PolarHBondContact O-N 3.25Å; K213-Q216 PolarHBondContact O-N 3.35Å; K213-S217 PolarHBondContact O-N 3.35Å |
| 214 | N | 69.2 | Low | 73.4 | Confident | 91 Ų | 91 | 113.4 Ų | 113.4 | 49% | 0.487 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.5 | -27.9 | -179.8 | -164.7 | 33.8 | 0 | 0 | 0 | 111.8 | F210 D211 Q216 | F210-N214 HydrophobicContact CE1-CB 4.44Å; F210-N214 VanDerWaalsContact O-CB 3.29Å; F210-N214 WeakPolarHBondContact O-CB 3.46Å; F210-N214 PolarHBondContact O-N 3.45Å; D211-N214 PolarHBondContact O-N 3.33Å; N214-Q216 VanDerWaalsContact C-N 3.29Å; N214-Q216 PolarHBondContact O-N 3.17Å |
| 215 | N | 64.9 | Low | 72.8 | Confident | 137 Ų | 137 | 112.8 Ų | 112.8 | 73% | 0.733 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -16.2 | 172.3 | -70.2 | -31.2 | 0 | 0 | 0 | 114.1 | D211 K213 | D211-N215 PolarHBondContact O-N 3.12Å; D211-N215 PolarHBondContact O-ND2 3.36Å; D211-N215 VanDerWaalsContact O-ND2 3.16Å; K213-N215 PolarHBondContact O-N 3.25Å |
| 216 | Q | 58.6 | Low | 72.2 | Confident | 177 Ų | 177 | 113.2 Ų | 113.2 | 83% | 0.827 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -21.6 | 179.1 | -92.9 | 179.3 | -5 | 0 | 0 | 114.4 | K213 N214 | K213-Q216 PolarHBondContact O-N 3.35Å; N214-Q216 VanDerWaalsContact C-N 3.29Å; N214-Q216 PolarHBondContact O-N 3.17Å |
| 217 | S | 53 | Low | 71.6 | Confident | 52 Ų | 52 | 114.2 Ų | 114.2 | 36% | 0.364 | 57% | 0.568 | S | S | . | * | trans | -100.4 | 23.3 | -168.6 | 69.7 | 0 | 0 | 0 | 0 | 115.5 | K213 Y219 | K213-S217 PolarHBondContact O-N 3.35Å; S217-Y219 PolarHBondContact O-N 3.49Å | ||
| 218 | Q | 48.9 | Very low | 71.3 | Confident | 161 Ų | 161 | 114.3 Ų | 114.3 | 75% | 0.752 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 17.6 | -171.6 | -141.4 | 179.9 | 17.5 | 0 | 0 | 116.2 | ||
| 219 | Y | 52.6 | Low | 71.2 | Confident | 221 Ų | 221 | 114.6 Ų | 114.6 | 87% | 0.867 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142 | 20.2 | -177.4 | -74.6 | -73.3 | 0 | 0 | 0 | 116.9 | S217 | S217-Y219 PolarHBondContact O-N 3.49Š|
| 220 | T | 55.1 | Low | 71.2 | Confident | 85 Ų | 85 | 114.5 Ų | 114.5 | 52% | 0.521 | 57% | 0.568 | S | S | . | * | trans | -132.4 | 139.6 | 177 | 60.2 | 0 | 0 | 0 | 0 | 113.1 | E222 G223 | T220-E222 PolarHBondContact O-N 3.48Å; T220-E222 VanDerWaalsContact O-N 3.13Å; T220-G223 PolarHBondContact O-N 3.29Å | ||
| 221 | D | 59.5 | Low | 71.6 | Confident | 141 Ų | 141 | 114.2 Ų | 114.2 | 75% | 0.754 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -20.2 | -179.5 | -158.6 | 10.5 | 0 | 0 | 0 | 112.7 | G223 S224 | D221-G223 PolarHBondContact O-N 3.1Å; D221-S224 WeakPolarHBondContact O-CB 3.45Å; D221-S224 PolarHBondContact O-N 3.23Å |
| 222 | E | 65.9 | Low | 72 | Confident | 142 Ų | 142 | 114 Ų | 114 | 66% | 0.664 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.5 | -26.6 | 171.3 | -61.5 | -169.9 | 171.6 | 0 | 0 | 113.1 | T220 S224 Q225 L226 | T220-E222 PolarHBondContact O-N 3.48Å; T220-E222 VanDerWaalsContact O-N 3.13Å; E222-S224 VanDerWaalsContact C-N 3.28Å; E222-S224 PolarHBondContact O-N 3.39Å; E222-Q225 PolarHBondContact O-N 2.92Å; E222-L226 PolarHBondContact O-N 3.47Å; E222-L226 VanDerWaalsContact O-N 3.09Å |
| 223 | G | 69.6 | Low | 72.6 | Confident | 27 Ų | 27 | 114.3 Ų | 114.3 | 28% | 0.278 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.3 | -34.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | T220 D221 K227 | T220-G223 PolarHBondContact O-N 3.29Å; D221-G223 PolarHBondContact O-N 3.1Å; G223-K227 WeakPolarHBondContact O-CB 3.36Å; G223-K227 PolarHBondContact O-N 2.94Å |
| 224 | S | 72.3 | Confident | 73.1 | Confident | 76 Ų | 76 | 111 Ų | 111 | 53% | 0.531 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.2 | -41.8 | 178.3 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | D221 E222 H228 | D221-S224 WeakPolarHBondContact O-CB 3.45Å; D221-S224 PolarHBondContact O-N 3.23Å; E222-S224 VanDerWaalsContact C-N 3.28Å; E222-S224 PolarHBondContact O-N 3.39Å; S224-H228 WeakPolarHBondContact O-CB 3.48Å; S224-H228 PolarHBondContact O-N 3.03Å |
| 225 | Q | 79.7 | Confident | 74.3 | Confident | 134 Ų | 134 | 113.6 Ų | 113.6 | 63% | 0.626 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.2 | -42 | 180 | -168.2 | 174.9 | 9.8 | 0 | 0 | 111.7 | E222 H228 Q229 | E222-Q225 PolarHBondContact O-N 2.92Å; Q225-H228 PolarHBondContact O-N 3.39Å; Q225-Q229 WeakPolarHBondContact O-CG 3.47Å; Q225-Q229 PolarHBondContact O-N 3.49Å |
| 226 | L | 81.1 | Confident | 75.7 | Confident | 103 Ų | 103 | 110.3 Ų | 110.3 | 54% | 0.539 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.4 | -41.1 | 174.7 | -76.2 | 168.7 | 0 | 0 | 0 | 111.8 | E222 H228 Q229 L230 | E222-L226 PolarHBondContact O-N 3.47Å; E222-L226 VanDerWaalsContact O-N 3.09Å; L226-H228 PolarHBondContact O-N 3.42Å; L226-Q229 PolarHBondContact O-N 3.25Å; L226-L230 WeakPolarHBondContact O-CB 3.4Å; L226-L230 PolarHBondContact O-N 2.88Å |
| 227 | K | 80.4 | Confident | 77.3 | Confident | 137 Ų | 137 | 106.1 Ų | 106.1 | 60% | 0.596 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.5 | -45.3 | 174.6 | -174.8 | 176.9 | -179.7 | -179.2 | 0 | 111.5 | G223 Q229 L230 D231 | G223-K227 WeakPolarHBondContact O-CB 3.36Å; G223-K227 PolarHBondContact O-N 2.94Å; K227-Q229 PolarHBondContact O-N 2.95Å; K227-L230 PolarHBondContact O-N 3.4Å; K227-D231 WeakPolarHBondContact O-CB 3.47Å; K227-D231 PolarHBondContact O-N 3Å |
| 228 | H | 82.5 | Confident | 79.2 | Confident | 114 Ų | 114 | 110.2 Ų | 110.2 | 53% | 0.528 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.4 | -40.7 | 176 | -178.2 | -91.6 | 0 | 0 | 0 | 112.6 | S224 Q225 L226 D231 L232 | S224-H228 WeakPolarHBondContact O-CB 3.48Å; S224-H228 PolarHBondContact O-N 3.03Å; Q225-H228 PolarHBondContact O-N 3.39Å; L226-H228 PolarHBondContact O-N 3.42Å; H228-D231 PolarHBondContact O-N 3.26Å; H228-L232 VanDerWaalsContact CE1-CD1 3.42Å; H228-L232 WeakPolarHBondContact CE1-CD1 3.41Å; H228-L232 WeakPolarHBondContact O-CG 3.35Å; H228-L232 PolarHBondContact O-N 3.35Å |
| 229 | Q | 87.8 | Confident | 81.4 | Confident | 111 Ų | 111 | 108.5 Ų | 108.5 | 52% | 0.519 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 175 | -75.7 | -175.6 | 2 | 0 | 0 | 112.3 | Q225 L226 K227 L232 L233 | Q225-Q229 WeakPolarHBondContact O-CG 3.47Å; Q225-Q229 PolarHBondContact O-N 3.49Å; L226-Q229 PolarHBondContact O-N 3.25Å; K227-Q229 PolarHBondContact O-N 2.95Å; Q229-L232 PolarHBondContact O-N 3.19Å; Q229-L233 WeakPolarHBondContact O-CB 3.37Å; Q229-L233 PolarHBondContact O-N 3.47Å |
| 230 | L | 88.7 | Confident | 83.2 | Confident | 59 Ų | 59 | 102.8 Ų | 102.8 | 31% | 0.309 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 175.1 | -173.7 | 68.3 | 0 | 0 | 0 | 111.6 | F210 L226 K227 L232 L233 T234 | F210-L230 HydrophobicContact CD1-CD2 4.14Å; F210-L230 HydrophobicContact CD2-CD2 4.27Å; F210-L230 HydrophobicContact CE1-CD2 3.52Å; F210-L230 HydrophobicContact CE2-CD2 3.69Å; F210-L230 HydrophobicContact CG-CD2 4.49Å; F210-L230 HydrophobicContact CZ-CD2 3.28Å; L226-L230 WeakPolarHBondContact O-CB 3.4Å; L226-L230 PolarHBondContact O-N 2.88Å; K227-L230 PolarHBondContact O-N 3.4Å; L230-L232 VanDerWaalsContact C-N 3.35Å; L230-L232 PolarHBondContact O-N 3.39Å; L230-L233 PolarHBondContact O-N 3.15Å; L230-T234 VanDerWaalsContact O-CB 3.28Å; L230-T234 WeakPolarHBondContact O-CB 3.3Å; L230-T234 PolarHBondContact O-N 3.41Å; L230-T234 PolarHBondContact O-OG1 3.14Å |
| 231 | D | 89.6 | Confident | 85 | Confident | 75 Ų | 75 | 102.2 Ų | 102.2 | 40% | 0.401 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 176.4 | -78.2 | -17.4 | 0 | 0 | 0 | 111.4 | K227 H228 T234 K235 | K227-D231 WeakPolarHBondContact O-CB 3.47Å; K227-D231 PolarHBondContact O-N 3Å; H228-D231 PolarHBondContact O-N 3.26Å; D231-T234 PolarHBondContact O-N 3.39Å; D231-K235 WeakPolarHBondContact O-CB 3.44Å; D231-K235 VanDerWaalsContact O-CG 3.23Å; D231-K235 WeakPolarHBondContact O-CG 3.35Å; D231-K235 PolarHBondContact O-N 3.36Å |
| 232 | L | 91.5 | Very high | 86.6 | Confident | 92 Ų | 92 | 99.9 Ų | 99.9 | 48% | 0.482 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 174.5 | -75.4 | 177.6 | 0 | 0 | 0 | 112.1 | H228 Q229 L230 K235 S236 | H228-L232 VanDerWaalsContact CE1-CD1 3.42Å; H228-L232 WeakPolarHBondContact CE1-CD1 3.41Å; H228-L232 WeakPolarHBondContact O-CG 3.35Å; H228-L232 PolarHBondContact O-N 3.35Å; Q229-L232 PolarHBondContact O-N 3.19Å; L230-L232 VanDerWaalsContact C-N 3.35Å; L230-L232 PolarHBondContact O-N 3.39Å; L232-K235 PolarHBondContact O-N 2.92Å; L232-S236 WeakPolarHBondContact O-CB 3.46Å; L232-S236 PolarHBondContact O-N 2.92Å |
| 233 | L | 93.3 | Very high | 88 | Confident | 117 Ų | 117 | 97.9 Ų | 97.9 | 61% | 0.613 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.3 | -41.7 | 178.4 | -171.5 | 67.1 | 0 | 0 | 0 | 111.3 | Q229 L230 S236 H237 | Q229-L233 WeakPolarHBondContact O-CB 3.37Å; Q229-L233 PolarHBondContact O-N 3.47Å; L230-L233 PolarHBondContact O-N 3.15Å; L233-S236 PolarHBondContact O-N 3.24Å; L233-H237 WeakPolarHBondContact O-CB 3.28Å; L233-H237 PolarHBondContact O-N 3.1Å |
| 234 | T | 91.9 | Very high | 89.1 | Confident | 79 Ų | 79 | 100.5 Ų | 100.5 | 49% | 0.485 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 177.3 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | L230 D231 H237 K238 | L230-T234 VanDerWaalsContact O-CB 3.28Å; L230-T234 WeakPolarHBondContact O-CB 3.3Å; L230-T234 PolarHBondContact O-N 3.41Å; L230-T234 PolarHBondContact O-OG1 3.14Å; D231-T234 PolarHBondContact O-N 3.39Å; T234-H237 PolarHBondContact O-N 3.17Å; T234-K238 VanDerWaalsContact O-CB 3.28Å; T234-K238 WeakPolarHBondContact O-CB 3.35Å; T234-K238 PolarHBondContact O-N 3.44Å |
| 235 | K | 93.7 | Very high | 90.2 | Very high | 146 Ų | 146 | 100.5 Ų | 100.5 | 64% | 0.635 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.4 | -45.3 | 173.6 | -76.8 | 172.6 | -177.4 | 176.4 | 0 | 111.4 | D231 L232 K238 Q239 | D231-K235 WeakPolarHBondContact O-CB 3.44Å; D231-K235 VanDerWaalsContact O-CG 3.23Å; D231-K235 WeakPolarHBondContact O-CG 3.35Å; D231-K235 PolarHBondContact O-N 3.36Å; L232-K235 PolarHBondContact O-N 2.92Å; K235-K238 PolarHBondContact O-N 2.92Å; K235-Q239 WeakPolarHBondContact O-CB 3.34Å; K235-Q239 PolarHBondContact O-N 3.09Å |
| 236 | S | 93.2 | Very high | 90.8 | Very high | 67 Ų | 67 | 98.7 Ų | 98.7 | 47% | 0.469 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 177.5 | -175.4 | 0 | 0 | 0 | 0 | 112.1 | L232 L233 K238 Q239 Q240 | L232-S236 WeakPolarHBondContact O-CB 3.46Å; L232-S236 PolarHBondContact O-N 2.92Å; L233-S236 PolarHBondContact O-N 3.24Å; S236-K238 PolarHBondContact O-N 3.38Å; S236-Q239 WeakPolarHBondContact O-CB 3.44Å; S236-Q239 PolarHBondContact O-N 3Å; S236-Q240 PolarHBondContact O-N 2.99Å |
| 237 | H | 92.3 | Very high | 91.6 | Very high | 89 Ų | 89 | 100.2 Ų | 100.2 | 41% | 0.412 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 179.1 | -168.5 | 62.5 | 0 | 0 | 0 | 112.1 | L233 T234 Q239 Q240 I241 | L233-H237 WeakPolarHBondContact O-CB 3.28Å; L233-H237 PolarHBondContact O-N 3.1Å; T234-H237 PolarHBondContact O-N 3.17Å; H237-Q239 VanDerWaalsContact C-N 3.32Å; H237-Q239 PolarHBondContact O-N 3.06Å; H237-Q240 WeakPolarHBondContact O-CB 3.42Å; H237-Q240 PolarHBondContact O-N 3.06Å; H237-Q240 VanDerWaalsContact O-N 3.14Å; H237-I241 WeakPolarHBondContact O-CG1 3.43Å; H237-I241 PolarHBondContact O-N 2.9Å |
| 238 | K | 93.9 | Very high | 92.2 | Very high | 139 Ų | 139 | 98.1 Ų | 98.1 | 60% | 0.604 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.5 | -41.2 | 174.6 | -172.1 | 175.2 | -177.3 | 176.9 | 0 | 111.8 | T234 K235 S236 Q240 I241 N242 | T234-K238 VanDerWaalsContact O-CB 3.28Å; T234-K238 WeakPolarHBondContact O-CB 3.35Å; T234-K238 PolarHBondContact O-N 3.44Å; K235-K238 PolarHBondContact O-N 2.92Å; S236-K238 PolarHBondContact O-N 3.38Å; K238-Q240 VanDerWaalsContact C-N 3.35Å; K238-I241 PolarHBondContact O-N 3.26Å; K238-N242 VanDerWaalsContact O-CG 3.26Å; K238-N242 PolarHBondContact O-N 3.37Å; K238-N242 PolarHBondContact O-ND2 3.03Å |
| 239 | Q | 94 | Very high | 92.7 | Very high | 124 Ų | 124 | 99.4 Ų | 99.4 | 58% | 0.579 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.1 | -41.1 | 174.3 | -171.9 | 178.1 | 2.6 | 0 | 0 | 111.6 | K235 S236 H237 N242 M243 | K235-Q239 WeakPolarHBondContact O-CB 3.34Å; K235-Q239 PolarHBondContact O-N 3.09Å; S236-Q239 WeakPolarHBondContact O-CB 3.44Å; S236-Q239 PolarHBondContact O-N 3Å; H237-Q239 VanDerWaalsContact C-N 3.32Å; H237-Q239 PolarHBondContact O-N 3.06Å; Q239-N242 PolarHBondContact O-N 3.28Å; Q239-M243 WeakPolarHBondContact O-CG 3.49Å; Q239-M243 PolarHBondContact O-N 3.47Å |
| 240 | Q | 92.1 | Very high | 93 | Very high | 102 Ų | 102 | 96.9 Ų | 96.9 | 48% | 0.477 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 176.8 | -167.8 | 175.5 | 20.4 | 0 | 0 | 112.7 | S236 H237 K238 N242 M243 N244 | S236-Q240 PolarHBondContact O-N 2.99Å; H237-Q240 WeakPolarHBondContact O-CB 3.42Å; H237-Q240 PolarHBondContact O-N 3.06Å; H237-Q240 VanDerWaalsContact O-N 3.14Å; K238-Q240 VanDerWaalsContact C-N 3.35Å; Q240-N242 VanDerWaalsContact C-N 3.34Å; Q240-N242 PolarHBondContact O-N 3.43Å; Q240-M243 HydrophobicContact CB-CE 4.45Å; Q240-M243 PolarHBondContact O-N 2.91Å; Q240-N244 PolarHBondContact O-N 3.18Å |
| 241 | I | 92.3 | Very high | 93.2 | Very high | 72 Ų | 72 | 99.2 Ų | 99.2 | 37% | 0.369 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 173.4 | -70 | 169.3 | 0 | 0 | 0 | 110.3 | H237 K238 M243 N244 N245 | H237-I241 WeakPolarHBondContact O-CG1 3.43Å; H237-I241 PolarHBondContact O-N 2.9Å; K238-I241 PolarHBondContact O-N 3.26Å; I241-M243 PolarHBondContact O-N 3.48Å; I241-N244 PolarHBondContact O-N 3.03Å; I241-N245 WeakPolarHBondContact O-CB 3.49Å; I241-N245 PolarHBondContact O-N 3.46Å; I241-N245 PolarHBondContact O-ND2 3.34Å |
| 242 | N | 93.7 | Very high | 93.4 | Very high | 92 Ų | 92 | 100.8 Ų | 100.8 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 178.5 | -72.8 | -14.2 | 0 | 0 | 0 | 112.2 | K238 Q239 Q240 N244 N245 E246 | K238-N242 VanDerWaalsContact O-CG 3.26Å; K238-N242 PolarHBondContact O-N 3.37Å; K238-N242 PolarHBondContact O-ND2 3.03Å; Q239-N242 PolarHBondContact O-N 3.28Å; Q240-N242 VanDerWaalsContact C-N 3.34Å; Q240-N242 PolarHBondContact O-N 3.43Å; N242-N244 PolarHBondContact O-N 3.31Å; N242-N245 PolarHBondContact O-N 3.45Å; N242-E246 PolarHBondContact O-N 2.95Å |
| 243 | M | 93.9 | Very high | 93.6 | Very high | 101 Ų | 101 | 102.9 Ų | 102.9 | 50% | 0.498 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 175.4 | -71.5 | -171.1 | -64.3 | 0 | 0 | 112.5 | Q239 Q240 I241 E246 K247 | Q239-M243 WeakPolarHBondContact O-CG 3.49Å; Q239-M243 PolarHBondContact O-N 3.47Å; Q240-M243 HydrophobicContact CB-CE 4.45Å; Q240-M243 PolarHBondContact O-N 2.91Å; I241-M243 PolarHBondContact O-N 3.48Å; M243-E246 PolarHBondContact O-N 3.03Å; M243-K247 WeakPolarHBondContact O-CG 3.34Å; M243-K247 PolarHBondContact O-N 3.41Å |
| 244 | N | 93.9 | Very high | 93.6 | Very high | 81 Ų | 81 | 103.4 Ų | 103.4 | 43% | 0.433 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.6 | -39.5 | 178.1 | -73.5 | -15.1 | 0 | 0 | 0 | 111.9 | Q240 I241 N242 E246 K247 L248 | Q240-N244 PolarHBondContact O-N 3.18Å; I241-N244 PolarHBondContact O-N 3.03Å; N242-N244 PolarHBondContact O-N 3.31Å; N244-E246 VanDerWaalsContact C-N 3.29Å; N244-E246 PolarHBondContact O-N 3.04Å; N244-K247 PolarHBondContact O-N 3.21Å; N244-L248 WeakPolarHBondContact O-CB 3.44Å; N244-L248 PolarHBondContact O-N 3.23Å |
| 245 | N | 94.5 | Very high | 93.8 | Very high | 77 Ų | 77 | 106.8 Ų | 106.8 | 41% | 0.412 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -36 | 173.9 | -73.1 | -19.3 | 0 | 0 | 0 | 111.7 | I241 N242 L248 R249 | I241-N245 WeakPolarHBondContact O-CB 3.49Å; I241-N245 PolarHBondContact O-N 3.46Å; I241-N245 PolarHBondContact O-ND2 3.34Å; N242-N245 PolarHBondContact O-N 3.45Å; N245-L248 PolarHBondContact O-N 2.99Å; N245-R249 WeakPolarHBondContact O-CG 3.48Å; N245-R249 PolarHBondContact O-N 3.15Å |
| 246 | E | 93.8 | Very high | 93.9 | Very high | 95 Ų | 95 | 104.7 Ų | 104.7 | 44% | 0.444 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67 | -44.4 | 174.7 | -161.1 | 58.3 | -155.6 | 0 | 0 | 112.1 | N242 M243 N244 L248 R249 S250 | N242-E246 PolarHBondContact O-N 2.95Å; M243-E246 PolarHBondContact O-N 3.03Å; N244-E246 VanDerWaalsContact C-N 3.29Å; N244-E246 PolarHBondContact O-N 3.04Å; E246-L248 VanDerWaalsContact C-N 3.28Å; E246-L248 PolarHBondContact O-N 3.31Å; E246-R249 WeakPolarHBondContact O-CB 3.42Å; E246-R249 PolarHBondContact O-N 2.97Å; E246-R249 VanDerWaalsContact O-N 3.14Å; E246-R249 IonicContact OE2-CZ 3.2Å; E246-R249 IonicContact OE2-NE 3.05Å; E246-R249 PolarHBondContact OE2-NE 2.95Å; E246-R249 IonicContact OE2-NH2 2.72Å; E246-R249 PolarHBondContact OE2-NH2 2.86Å; E246-S250 PolarHBondContact O-N 2.98Å; E246-S250 PolarHBondContact O-OG 3.46Å |
| 247 | K | 95.9 | Very high | 94 | Very high | 136 Ų | 136 | 106.7 Ų | 106.7 | 59% | 0.591 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.1 | -41.3 | 172.4 | -71.8 | 176.4 | -179.4 | 177.8 | 0 | 112.1 | M243 N244 S250 L251 | M243-K247 WeakPolarHBondContact O-CG 3.34Å; M243-K247 PolarHBondContact O-N 3.41Å; N244-K247 PolarHBondContact O-N 3.21Å; K247-S250 PolarHBondContact O-N 3.38Å; K247-L251 WeakPolarHBondContact O-CB 3.33Å; K247-L251 PolarHBondContact O-N 3.19Å |
| 248 | L | 93.9 | Very high | 94.2 | Very high | 92 Ų | 92 | 108 Ų | 108 | 48% | 0.482 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 176.4 | -176.1 | 64.4 | 0 | 0 | 0 | 111.3 | N244 N245 E246 L251 Q252 | N244-L248 WeakPolarHBondContact O-CB 3.44Å; N244-L248 PolarHBondContact O-N 3.23Å; N245-L248 PolarHBondContact O-N 2.99Å; E246-L248 VanDerWaalsContact C-N 3.28Å; E246-L248 PolarHBondContact O-N 3.31Å; L248-L251 PolarHBondContact O-N 2.95Å; L248-Q252 WeakPolarHBondContact O-CB 3.4Å; L248-Q252 VanDerWaalsContact O-CG 3.28Å; L248-Q252 WeakPolarHBondContact O-CG 3.39Å; L248-Q252 PolarHBondContact O-N 3.02Å |
| 249 | R | 93 | Very high | 94.2 | Very high | 141 Ų | 141 | 107 Ų | 107 | 53% | 0.532 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 174.2 | -77.6 | -168.7 | -79.1 | -155.1 | -2.7 | 112 | N245 E246 Q252 Q253 | N245-R249 WeakPolarHBondContact O-CG 3.48Å; N245-R249 PolarHBondContact O-N 3.15Å; E246-R249 WeakPolarHBondContact O-CB 3.42Å; E246-R249 PolarHBondContact O-N 2.97Å; E246-R249 VanDerWaalsContact O-N 3.14Å; E246-R249 IonicContact OE2-CZ 3.2Å; E246-R249 IonicContact OE2-NE 3.05Å; E246-R249 PolarHBondContact OE2-NE 2.95Å; E246-R249 IonicContact OE2-NH2 2.72Å; E246-R249 PolarHBondContact OE2-NH2 2.86Å; R249-Q252 PolarHBondContact O-N 3.46Å; R249-Q253 WeakPolarHBondContact O-CG 3.45Å; R249-Q253 PolarHBondContact O-N 2.96Å |
| 250 | S | 94.1 | Very high | 94.2 | Very high | 59 Ų | 59 | 104.6 Ų | 104.6 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 176 | -53.8 | 0 | 0 | 0 | 0 | 112.4 | E246 K247 Q252 Q253 E254 | E246-S250 PolarHBondContact O-N 2.98Å; E246-S250 PolarHBondContact O-OG 3.46Å; K247-S250 PolarHBondContact O-N 3.38Å; S250-Q252 VanDerWaalsContact C-N 3.34Å; S250-Q252 PolarHBondContact O-N 2.75Å; S250-Q253 PolarHBondContact O-N 3.45Å; S250-E254 PolarHBondContact O-N 2.92Å |
| 251 | L | 93.8 | Very high | 94.4 | Very high | 107 Ų | 107 | 104.8 Ų | 104.8 | 56% | 0.56 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62 | -39.7 | 176.1 | -84.7 | 157.3 | 0 | 0 | 0 | 112.3 | K247 L248 E254 Y255 | K247-L251 WeakPolarHBondContact O-CB 3.33Å; K247-L251 PolarHBondContact O-N 3.19Å; L248-L251 PolarHBondContact O-N 2.95Å; L251-E254 PolarHBondContact O-N 3.48Å; L251-Y255 WeakPolarHBondContact O-CB 3.43Å; L251-Y255 PolarHBondContact O-N 3.27Å |
| 252 | Q | 92.7 | Very high | 94.6 | Very high | 109 Ų | 109 | 107.1 Ų | 107.1 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 175.3 | -75.6 | 174.9 | -11 | 0 | 0 | 111.9 | L248 R249 S250 Y255 Q256 | L248-Q252 WeakPolarHBondContact O-CB 3.4Å; L248-Q252 VanDerWaalsContact O-CG 3.28Å; L248-Q252 WeakPolarHBondContact O-CG 3.39Å; L248-Q252 PolarHBondContact O-N 3.02Å; R249-Q252 PolarHBondContact O-N 3.46Å; S250-Q252 VanDerWaalsContact C-N 3.34Å; S250-Q252 PolarHBondContact O-N 2.75Å; Q252-Y255 PolarHBondContact O-N 3.34Å; Q252-Q256 WeakPolarHBondContact O-CG 3.38Å; Q252-Q256 PolarHBondContact O-N 2.97Å |
| 253 | Q | 95.2 | Very high | 94.6 | Very high | 136 Ų | 136 | 110.6 Ų | 110.6 | 64% | 0.636 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.6 | -44.6 | 174.9 | -72.2 | 173.6 | -7.7 | 0 | 0 | 111.5 | R249 S250 Y255 Q256 H257 | R249-Q253 WeakPolarHBondContact O-CG 3.45Å; R249-Q253 PolarHBondContact O-N 2.96Å; S250-Q253 PolarHBondContact O-N 3.45Å; Q253-Y255 PolarHBondContact O-N 3.37Å; Q253-Q256 PolarHBondContact O-N 3.29Å; Q253-H257 PolarHBondContact O-N 2.9Å |
| 254 | E | 94.7 | Very high | 94.7 | Very high | 128 Ų | 128 | 110.8 Ų | 110.8 | 60% | 0.598 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.5 | -43.4 | 176.6 | -170.7 | -177.4 | 176.3 | 0 | 0 | 111.8 | S250 L251 Q256 H257 L258 | S250-E254 PolarHBondContact O-N 2.92Å; L251-E254 PolarHBondContact O-N 3.48Å; E254-Q256 PolarHBondContact O-N 3.04Å; E254-H257 WeakPolarHBondContact O-CB 3.48Å; E254-H257 PolarHBondContact O-N 3.01Å; E254-L258 WeakPolarHBondContact O-CB 3.46Å; E254-L258 PolarHBondContact O-N 3.37Å |
| 255 | Y | 95.5 | Very high | 94.8 | Very high | 149 Ų | 149 | 113.3 Ų | 113.3 | 58% | 0.584 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.9 | -44.4 | 175.3 | 175.1 | -98.8 | 0 | 0 | 0 | 112.3 | L251 Q252 Q253 L258 K259 | L251-Y255 WeakPolarHBondContact O-CB 3.43Å; L251-Y255 PolarHBondContact O-N 3.27Å; Q252-Y255 PolarHBondContact O-N 3.34Å; Q253-Y255 PolarHBondContact O-N 3.37Å; Y255-L258 PolarHBondContact O-N 3.01Å; Y255-K259 VanDerWaalsContact O-CB 3.32Å; Y255-K259 WeakPolarHBondContact O-CB 3.36Å; Y255-K259 PolarHBondContact O-N 2.73Å |
| 256 | Q | 95.4 | Very high | 94.7 | Very high | 102 Ų | 102 | 112.8 Ų | 112.8 | 48% | 0.477 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 176.7 | -66.1 | -62.9 | -9.1 | 0 | 0 | 111.8 | Q252 Q253 E254 K259 S260 | Q252-Q256 WeakPolarHBondContact O-CG 3.38Å; Q252-Q256 PolarHBondContact O-N 2.97Å; Q253-Q256 PolarHBondContact O-N 3.29Å; E254-Q256 PolarHBondContact O-N 3.04Å; Q256-K259 PolarHBondContact O-N 2.98Å; Q256-S260 PolarHBondContact O-N 3.43Å; Q256-S260 PolarHBondContact O-OG 3.02Å |
| 257 | H | 95.4 | Very high | 94.8 | Very high | 110 Ų | 110 | 112.2 Ų | 112.2 | 51% | 0.509 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 174.8 | -174.6 | 50.1 | 0 | 0 | 0 | 112.1 | Q253 E254 K259 S260 K261 | Q253-H257 PolarHBondContact O-N 2.9Å; E254-H257 WeakPolarHBondContact O-CB 3.48Å; E254-H257 PolarHBondContact O-N 3.01Å; H257-K259 VanDerWaalsContact C-N 3.34Å; H257-K259 PolarHBondContact O-N 3.3Å; H257-S260 PolarHBondContact O-N 3.01Å; H257-K261 VanDerWaalsContact NE2-CE 3.31Å; H257-K261 WeakPolarHBondContact NE2-CE 3.43Å; H257-K261 PolarHBondContact NE2-NZ 2.91Å; H257-K261 PolarHBondContact O-N 3.42Å |
| 258 | L | 96.4 | Very high | 94.7 | Very high | 115 Ų | 115 | 109.4 Ų | 109.4 | 60% | 0.602 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.9 | -39 | 178.4 | -170.7 | 62.3 | 0 | 0 | 0 | 111.6 | E254 Y255 K261 L262 | E254-L258 WeakPolarHBondContact O-CB 3.46Å; E254-L258 PolarHBondContact O-N 3.37Å; Y255-L258 PolarHBondContact O-N 3.01Å; L258-K261 PolarHBondContact O-N 3.2Å; L258-L262 WeakPolarHBondContact O-CB 3.31Å; L258-L262 PolarHBondContact O-N 2.86Å |
| 259 | K | 93.9 | Very high | 94.8 | Very high | 118 Ų | 118 | 110.5 Ų | 110.5 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 174.2 | -174.2 | -178.5 | 178.1 | -173.5 | 0 | 112 | Y255 Q256 H257 L262 Y263 | Y255-K259 VanDerWaalsContact O-CB 3.32Å; Y255-K259 WeakPolarHBondContact O-CB 3.36Å; Y255-K259 PolarHBondContact O-N 2.73Å; Q256-K259 PolarHBondContact O-N 2.98Å; H257-K259 VanDerWaalsContact C-N 3.34Å; H257-K259 PolarHBondContact O-N 3.3Å; K259-L262 PolarHBondContact O-N 2.87Å; K259-Y263 PolarHBondContact O-N 3.32Å |
| 260 | S | 95.1 | Very high | 94.8 | Very high | 75 Ų | 75 | 109.2 Ų | 109.2 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 175.8 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | Q256 H257 L262 Y263 E264 | Q256-S260 PolarHBondContact O-N 3.43Å; Q256-S260 PolarHBondContact O-OG 3.02Å; H257-S260 PolarHBondContact O-N 3.01Å; S260-L262 VanDerWaalsContact C-N 3.35Å; S260-L262 PolarHBondContact O-N 3.43Å; S260-Y263 PolarHBondContact O-N 3.48Å; S260-E264 PolarHBondContact O-N 3.22Å |
| 261 | K | 96 | Very high | 94.8 | Very high | 106 Ų | 106 | 111 Ų | 111 | 46% | 0.461 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 174.5 | -78.3 | -179.4 | 173.2 | 176.4 | 0 | 112.7 | H257 L258 E264 K265 | H257-K261 VanDerWaalsContact NE2-CE 3.31Å; H257-K261 WeakPolarHBondContact NE2-CE 3.43Å; H257-K261 PolarHBondContact NE2-NZ 2.91Å; H257-K261 PolarHBondContact O-N 3.42Å; L258-K261 PolarHBondContact O-N 3.2Å; K261-E264 PolarHBondContact O-N 2.91Å; K261-K265 WeakPolarHBondContact O-CB 3.47Å; K261-K265 WeakPolarHBondContact O-CG 3.22Å; K261-K265 PolarHBondContact O-N 3.41Å |
| 262 | L | 94.9 | Very high | 94.9 | Very high | 120 Ų | 120 | 112.3 Ų | 112.3 | 63% | 0.628 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.3 | -41.9 | 177.7 | -175.7 | 67 | 0 | 0 | 0 | 111.2 | L258 K259 S260 K265 T266 | L258-L262 WeakPolarHBondContact O-CB 3.31Å; L258-L262 PolarHBondContact O-N 2.86Å; K259-L262 PolarHBondContact O-N 2.87Å; S260-L262 VanDerWaalsContact C-N 3.35Å; S260-L262 PolarHBondContact O-N 3.43Å; L262-K265 PolarHBondContact O-N 3.27Å; L262-T266 WeakPolarHBondContact O-CB 3.47Å; L262-T266 PolarHBondContact O-N 3.2Å; L262-T266 PolarHBondContact O-OG1 3.38Å |
| 263 | Y | 94.6 | Very high | 95 | Very high | 166 Ų | 166 | 110.2 Ų | 110.2 | 65% | 0.651 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.9 | -48 | 175.7 | -177.2 | -94.4 | 0 | 0 | 0 | 111.8 | K259 S260 K265 T266 Q267 | K259-Y263 PolarHBondContact O-N 3.32Å; S260-Y263 PolarHBondContact O-N 3.48Å; Y263-K265 PolarHBondContact O-N 2.94Å; Y263-T266 WeakPolarHBondContact O-CB 3.37Å; Y263-T266 PolarHBondContact O-N 2.86Å; Y263-Q267 PolarHBondContact O-N 2.94Å |
| 264 | E | 95.2 | Very high | 95 | Very high | 104 Ų | 104 | 110 Ų | 110 | 49% | 0.486 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 176.9 | -170.1 | -169.4 | 163.6 | 0 | 0 | 111.9 | S260 K261 T266 Q267 Q268 | S260-E264 PolarHBondContact O-N 3.22Å; K261-E264 PolarHBondContact O-N 2.91Å; E264-T266 VanDerWaalsContact C-N 3.33Å; E264-T266 PolarHBondContact O-N 3.4Å; E264-Q267 PolarHBondContact O-N 3.34Å; E264-Q268 WeakPolarHBondContact O-CG 3.38Å; E264-Q268 PolarHBondContact O-N 2.91Å; E264-Q268 PolarHBondContact OE1-NE2 3.31Å |
| 265 | K | 96.1 | Very high | 95 | Very high | 135 Ų | 135 | 109.4 Ų | 109.4 | 59% | 0.587 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64 | -38.1 | 176.8 | -75.3 | -72 | 168.9 | -158 | 0 | 112.7 | K261 L262 Y263 Q268 L269 | K261-K265 WeakPolarHBondContact O-CB 3.47Å; K261-K265 WeakPolarHBondContact O-CG 3.22Å; K261-K265 PolarHBondContact O-N 3.41Å; L262-K265 PolarHBondContact O-N 3.27Å; Y263-K265 PolarHBondContact O-N 2.94Å; K265-Q268 PolarHBondContact O-N 3.32Å; K265-L269 WeakPolarHBondContact O-CB 3.5Å; K265-L269 PolarHBondContact O-N 2.95Å |
| 266 | T | 93.6 | Very high | 94.9 | Very high | 65 Ų | 65 | 106.3 Ų | 106.3 | 40% | 0.399 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 175.8 | -57 | 0 | 0 | 0 | 0 | 110.7 | L262 Y263 E264 L269 Q270 | L262-T266 WeakPolarHBondContact O-CB 3.47Å; L262-T266 PolarHBondContact O-N 3.2Å; L262-T266 PolarHBondContact O-OG1 3.38Å; Y263-T266 WeakPolarHBondContact O-CB 3.37Å; Y263-T266 PolarHBondContact O-N 2.86Å; E264-T266 VanDerWaalsContact C-N 3.33Å; E264-T266 PolarHBondContact O-N 3.4Å; T266-L269 PolarHBondContact O-N 3.49Å; T266-Q270 WeakPolarHBondContact O-CG 3.43Å; T266-Q270 PolarHBondContact O-N 2.91Å |
| 267 | Q | 94.5 | Very high | 94.7 | Very high | 83 Ų | 83 | 106.9 Ų | 106.9 | 39% | 0.388 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -46.9 | 175.8 | -174.1 | 179.4 | -9.5 | 0 | 0 | 111.9 | Y263 E264 L269 Q270 E271 | Y263-Q267 PolarHBondContact O-N 2.94Å; E264-Q267 PolarHBondContact O-N 3.34Å; Q267-L269 VanDerWaalsContact C-N 3.26Å; Q267-L269 PolarHBondContact O-N 2.9Å; Q267-Q270 PolarHBondContact O-N 3.43Å; Q267-Q270 VanDerWaalsContact O-N 3.16Å; Q267-E271 WeakPolarHBondContact CG-OE1 3.38Å; Q267-E271 PolarHBondContact NE2-OE1 3.48Å; Q267-E271 WeakPolarHBondContact O-CG 3.41Å; Q267-E271 PolarHBondContact O-N 3.02Å |
| 268 | Q | 94.3 | Very high | 94.6 | Very high | 78 Ų | 78 | 106 Ų | 106 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56.6 | -40.5 | 174.8 | -74.1 | 174.4 | 5 | 0 | 0 | 111.9 | E264 K265 K272 | E264-Q268 WeakPolarHBondContact O-CG 3.38Å; E264-Q268 PolarHBondContact O-N 2.91Å; E264-Q268 PolarHBondContact OE1-NE2 3.31Å; K265-Q268 PolarHBondContact O-N 3.32Å; Q268-K272 WeakPolarHBondContact O-CB 3.41Å; Q268-K272 PolarHBondContact O-N 3Å |
| 269 | L | 96.1 | Very high | 94.2 | Very high | 114 Ų | 114 | 106 Ų | 106 | 60% | 0.597 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.5 | -44 | 177.6 | -172.1 | 65.7 | 0 | 0 | 0 | 111.5 | K265 T266 Q267 K272 T273 | K265-L269 WeakPolarHBondContact O-CB 3.5Å; K265-L269 PolarHBondContact O-N 2.95Å; T266-L269 PolarHBondContact O-N 3.49Å; Q267-L269 VanDerWaalsContact C-N 3.26Å; Q267-L269 PolarHBondContact O-N 2.9Å; L269-K272 PolarHBondContact O-N 3.27Å; L269-T273 PolarHBondContact O-N 2.93Å; L269-T273 PolarHBondContact O-OG1 2.99Å |
| 270 | Q | 93.9 | Very high | 93.8 | Very high | 115 Ų | 115 | 104.2 Ų | 104.2 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 175.8 | -73.3 | 178.1 | -13 | 0 | 0 | 112.4 | T266 Q267 T273 K274 | T266-Q270 WeakPolarHBondContact O-CG 3.43Å; T266-Q270 PolarHBondContact O-N 2.91Å; Q267-Q270 PolarHBondContact O-N 3.43Å; Q267-Q270 VanDerWaalsContact O-N 3.16Å; Q270-T273 PolarHBondContact O-N 2.91Å; Q270-K274 WeakPolarHBondContact O-CG 3.35Å; Q270-K274 PolarHBondContact O-N 3.36Å |
| 271 | E | 93.8 | Very high | 93.4 | Very high | 96 Ų | 96 | 104 Ų | 104 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 175.7 | -72.3 | 173.5 | -168.5 | 0 | 0 | 111.5 | Q267 T273 K274 L275 | Q267-E271 WeakPolarHBondContact CG-OE1 3.38Å; Q267-E271 PolarHBondContact NE2-OE1 3.48Å; Q267-E271 WeakPolarHBondContact O-CG 3.41Å; Q267-E271 PolarHBondContact O-N 3.02Å; E271-T273 PolarHBondContact O-N 3.2Å; E271-K274 PolarHBondContact O-N 3.25Å; E271-L275 WeakPolarHBondContact O-CG 3.24Å; E271-L275 PolarHBondContact O-N 3.21Å |
| 272 | K | 95.6 | Very high | 92.7 | Very high | 134 Ų | 134 | 106 Ų | 106 | 58% | 0.583 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63 | -40.3 | 175.2 | -171.7 | 176.7 | -179.9 | -179.9 | 0 | 112.1 | Q268 L269 L275 L276 | Q268-K272 WeakPolarHBondContact O-CB 3.41Å; Q268-K272 PolarHBondContact O-N 3Å; L269-K272 PolarHBondContact O-N 3.27Å; K272-L275 PolarHBondContact O-N 2.99Å; K272-L276 HydrophobicContact CG-CD1 4.43Å; K272-L276 WeakPolarHBondContact O-CG 3.17Å; K272-L276 PolarHBondContact O-N 3.16Å |
| 273 | T | 94.2 | Very high | 92 | Very high | 65 Ų | 65 | 103.9 Ų | 103.9 | 40% | 0.399 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 174.2 | -60.5 | 0 | 0 | 0 | 0 | 111 | L269 Q270 E271 L275 L276 E277 | L269-T273 PolarHBondContact O-N 2.93Å; L269-T273 PolarHBondContact O-OG1 2.99Å; Q270-T273 PolarHBondContact O-N 2.91Å; E271-T273 PolarHBondContact O-N 3.2Å; T273-L275 VanDerWaalsContact C-N 3.34Å; T273-L275 PolarHBondContact O-N 3.42Å; T273-L276 PolarHBondContact O-N 3.22Å; T273-E277 WeakPolarHBondContact O-CG 3.34Å; T273-E277 PolarHBondContact O-N 3.2Å |
| 274 | K | 95.7 | Very high | 91.1 | Very high | 131 Ų | 131 | 102.7 Ų | 102.7 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.4 | -40.3 | 174.9 | -71.2 | 174.9 | -178.7 | 178.9 | 0 | 112.7 | Q270 E271 E277 L278 | Q270-K274 WeakPolarHBondContact O-CG 3.35Å; Q270-K274 PolarHBondContact O-N 3.36Å; E271-K274 PolarHBondContact O-N 3.25Å; K274-E277 PolarHBondContact O-N 2.8Å; K274-L278 WeakPolarHBondContact O-CG 3.46Å; K274-L278 PolarHBondContact O-N 3.13Å |
| 275 | L | 95.2 | Very high | 90 | Very high | 116 Ų | 116 | 107.1 Ų | 107.1 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.2 | -39.8 | 176.1 | -74 | 173.8 | 0 | 0 | 0 | 112.2 | E271 K272 T273 L278 Q279 | E271-L275 WeakPolarHBondContact O-CG 3.24Å; E271-L275 PolarHBondContact O-N 3.21Å; K272-L275 PolarHBondContact O-N 2.99Å; T273-L275 VanDerWaalsContact C-N 3.34Å; T273-L275 PolarHBondContact O-N 3.42Å; L275-L278 PolarHBondContact O-N 2.92Å; L275-Q279 WeakPolarHBondContact O-CB 3.45Å; L275-Q279 PolarHBondContact O-N 3.18Å |
| 276 | L | 93.2 | Very high | 88.5 | Confident | 84 Ų | 84 | 106 Ų | 106 | 44% | 0.44 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 174.9 | -73.7 | 169.1 | 0 | 0 | 0 | 111.7 | K272 T273 Q279 N280 | K272-L276 HydrophobicContact CG-CD1 4.43Å; K272-L276 WeakPolarHBondContact O-CG 3.17Å; K272-L276 PolarHBondContact O-N 3.16Å; T273-L276 PolarHBondContact O-N 3.22Å; L276-Q279 PolarHBondContact O-N 3.34Å; L276-N280 WeakPolarHBondContact O-CB 3.48Å; L276-N280 PolarHBondContact O-N 3.43Å; L276-N280 PolarHBondContact O-ND2 3.4Å |
| 277 | E | 91.6 | Very high | 86.9 | Confident | 115 Ų | 115 | 107.4 Ų | 107.4 | 54% | 0.537 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 173.6 | -73.3 | 172.4 | -175 | 0 | 0 | 111.8 | T273 K274 Q279 N280 V281 | T273-E277 WeakPolarHBondContact O-CG 3.34Å; T273-E277 PolarHBondContact O-N 3.2Å; K274-E277 PolarHBondContact O-N 2.8Å; E277-Q279 PolarHBondContact O-N 3.26Å; E277-N280 WeakPolarHBondContact O-CB 3.46Å; E277-N280 PolarHBondContact O-N 3.41Å; E277-V281 WeakPolarHBondContact O-CG2 3.46Å; E277-V281 PolarHBondContact O-N 3.33Å |
| 278 | L | 91.9 | Very high | 85.5 | Confident | 90 Ų | 90 | 112.2 Ų | 112.2 | 47% | 0.471 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 174.7 | -74.6 | 171.9 | 0 | 0 | 0 | 111.5 | K274 L275 N280 V281 Y282 | K274-L278 WeakPolarHBondContact O-CG 3.46Å; K274-L278 PolarHBondContact O-N 3.13Å; L275-L278 PolarHBondContact O-N 2.92Å; L278-N280 VanDerWaalsContact C-N 3.27Å; L278-N280 PolarHBondContact O-N 3.45Å; L278-V281 PolarHBondContact O-N 2.95Å; L278-V281 VanDerWaalsContact O-N 3.17Å; L278-Y282 WeakPolarHBondContact O-CD2 3.4Å; L278-Y282 PolarHBondContact O-N 3.48Å |
| 279 | Q | 87.8 | Confident | 83.7 | Confident | 116 Ų | 116 | 113.7 Ų | 113.7 | 54% | 0.542 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 176.5 | -174.4 | 178.8 | 2.5 | 0 | 0 | 111.5 | L275 L276 E277 Y282 S283 | L275-Q279 WeakPolarHBondContact O-CB 3.45Å; L275-Q279 PolarHBondContact O-N 3.18Å; L276-Q279 PolarHBondContact O-N 3.34Å; E277-Q279 PolarHBondContact O-N 3.26Å; Q279-Y282 PolarHBondContact O-N 2.87Å; Q279-S283 VanDerWaalsContact O-CB 3.24Å; Q279-S283 WeakPolarHBondContact O-CB 3.44Å; Q279-S283 PolarHBondContact O-N 2.89Å; Q279-S283 PolarHBondContact O-OG 2.97Å |
| 280 | N | 85.5 | Confident | 81.8 | Confident | 81 Ų | 81 | 115.1 Ų | 115.1 | 43% | 0.433 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.1 | -43.2 | 175.1 | -71.3 | -21.7 | 0 | 0 | 0 | 111.6 | L276 E277 L278 S283 H284 | L276-N280 WeakPolarHBondContact O-CB 3.48Å; L276-N280 PolarHBondContact O-N 3.43Å; L276-N280 PolarHBondContact O-ND2 3.4Å; E277-N280 WeakPolarHBondContact O-CB 3.46Å; E277-N280 PolarHBondContact O-N 3.41Å; L278-N280 VanDerWaalsContact C-N 3.27Å; L278-N280 PolarHBondContact O-N 3.45Å; N280-S283 PolarHBondContact O-N 3.34Å; N280-H284 PolarHBondContact O-N 3.31Å; N280-H284 VanDerWaalsContact O-N 3.15Å |
| 281 | V | 87.4 | Confident | 80 | Confident | 70 Ų | 70 | 117 Ų | 117 | 42% | 0.424 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.8 | -44.8 | 175.5 | 174 | 0 | 0 | 0 | 0 | 111.5 | E277 L278 H284 R285 | E277-V281 WeakPolarHBondContact O-CG2 3.46Å; E277-V281 PolarHBondContact O-N 3.33Å; L278-V281 PolarHBondContact O-N 2.95Å; L278-V281 VanDerWaalsContact O-N 3.17Å; V281-H284 PolarHBondContact O-N 2.91Å; V281-R285 WeakPolarHBondContact O-CG 3.48Å; V281-R285 PolarHBondContact O-N 2.92Å; V281-R285 VanDerWaalsContact O-N 3.09Å |
| 282 | Y | 82.2 | Confident | 77.9 | Confident | 149 Ų | 149 | 119.6 Ų | 119.6 | 58% | 0.584 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.2 | -41 | 177.7 | -81.3 | -68.7 | 0 | 0 | 0 | 112.3 | L278 Q279 H284 R285 I286 | L278-Y282 WeakPolarHBondContact O-CD2 3.4Å; L278-Y282 PolarHBondContact O-N 3.48Å; Q279-Y282 PolarHBondContact O-N 2.87Å; Y282-H284 PolarHBondContact O-N 3.35Å; Y282-R285 PolarHBondContact O-N 3.39Å; Y282-I286 WeakPolarHBondContact O-CG1 3.05Å; Y282-I286 PolarHBondContact O-N 2.94Å |
| 283 | S | 79.8 | Confident | 75.6 | Confident | 74 Ų | 74 | 120.8 Ų | 120.8 | 52% | 0.517 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.8 | -26.2 | 177.5 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | Q279 N280 | Q279-S283 VanDerWaalsContact O-CB 3.24Å; Q279-S283 WeakPolarHBondContact O-CB 3.44Å; Q279-S283 PolarHBondContact O-N 2.89Å; Q279-S283 PolarHBondContact O-OG 2.97Å; N280-S283 PolarHBondContact O-N 3.34Å |
| 284 | H | 75.7 | Confident | 73.4 | Confident | 142 Ų | 142 | 119.2 Ų | 119.2 | 66% | 0.657 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -86.2 | -23.7 | 173.5 | -67.9 | -13.7 | 0 | 0 | 0 | 113.9 | N280 V281 Y282 | N280-H284 PolarHBondContact O-N 3.31Å; N280-H284 VanDerWaalsContact O-N 3.15Å; V281-H284 PolarHBondContact O-N 2.91Å; Y282-H284 PolarHBondContact O-N 3.35Å |
| 285 | R | 72.3 | Confident | 71 | Confident | 196 Ų | 196 | 122 Ų | 122 | 74% | 0.74 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -94 | -23.9 | -177.5 | -74.7 | -172.7 | -174.6 | -160.2 | 3.1 | 115 | V281 Y282 P287 | V281-R285 WeakPolarHBondContact O-CG 3.48Å; V281-R285 PolarHBondContact O-N 2.92Å; V281-R285 VanDerWaalsContact O-N 3.09Å; Y282-R285 PolarHBondContact O-N 3.39Å; R285-P287 WeakPolarHBondContact O-CD 3.39Å; R285-P287 VanDerWaalsContact O-N 3.17Å |
| 286 | I | 64.1 | Low | 68.6 | Low | 113 Ų | 113 | 124.3 Ų | 124.3 | 58% | 0.579 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -72.4 | 108.7 | 179.9 | -63.5 | 166.3 | 0 | 0 | 0 | 108.8 | Y282 R288 | Y282-I286 WeakPolarHBondContact O-CG1 3.05Å; Y282-I286 PolarHBondContact O-N 2.94Å; I286-R288 PolarHBondContact O-N 3.21Å; I286-R288 VanDerWaalsContact O-N 3.15Å |
| 287 | P | 60.5 | Low | 66.6 | Low | 94 Ų | 94 | 125.2 Ų | 125.2 | 61% | 0.61 | 63% | 0.627 | S | S | * | * | trans | -66.4 | 119.4 | 173.2 | -10.3 | 28.8 | 0 | 0 | 0 | 106.2 | R285 K289 | R285-P287 WeakPolarHBondContact O-CD 3.39Å; R285-P287 VanDerWaalsContact O-N 3.17Å; P287-K289 HydrophobicContact CB-CG 4.45Å; P287-K289 PolarHBondContact O-N 3.41Å | ||
| 288 | R | 64.4 | Low | 64.4 | Low | 184 Ų | 184 | 126 Ų | 126 | 69% | 0.694 | 64% | 0.64 | S | S | * | * | trans | -65.1 | 20.8 | -180 | -65.9 | -179.3 | 175 | 179.3 | -4.9 | 114.4 | D149 I286 N290 | D149-R288 IonicContact OD2-CZ 3.16Å; D149-R288 IonicContact OD2-NH1 2.64Å; D149-R288 PolarHBondContact OD2-NH1 3.42Å; D149-R288 IonicContact OD2-NH2 2.77Å; D149-R288 PolarHBondContact OD2-NH2 3.41Å; I286-R288 PolarHBondContact O-N 3.21Å; I286-R288 VanDerWaalsContact O-N 3.15Å; R288-N290 PolarHBondContact O-N 2.93Å | ||
| 289 | K | 57.7 | Low | 62.2 | Low | 108 Ų | 108 | 129.3 Ų | 129.3 | 47% | 0.47 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.5 | 106.6 | 175.7 | -59.8 | 178.4 | 177.6 | 178.6 | 0 | 107 | P287 D571 L572 | P287-K289 HydrophobicContact CB-CG 4.45Å; P287-K289 PolarHBondContact O-N 3.41Å; K289-D571 PolarHBondContact NZ-O 3.07Å; K289-D571 VanDerWaalsContact NZ-O 3.08Å; K289-L572 VanDerWaalsContact CE-CG 3.42Å |
| 290 | N | 55.3 | Low | 59.9 | Low | 144 Ų | 144 | 128.5 Ų | 128.5 | 77% | 0.77 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 119.7 | 29.4 | 168.6 | -55.5 | -17 | 0 | 0 | 0 | 118.1 | R288 I292 | R288-N290 PolarHBondContact O-N 2.93Å; N290-I292 PolarHBondContact O-N 2.91Å |
| 291 | I | 55.3 | Low | 57.8 | Low | 155 Ų | 155 | 129.2 Ų | 129.2 | 80% | 0.795 | 68% | 0.676 | S | S | * | * | trans | -81.6 | 72.9 | 152.1 | -53.1 | 178.3 | 0 | 0 | 0 | 107.7 | L293 | I291-L293 HydrophobicContact CG2-CB 4.1Å; I291-L293 PolarHBondContact O-N 3.28Å | ||
| 292 | I | 51.2 | Low | 55.6 | Low | 150 Ų | 150 | 132.3 Ų | 132.3 | 77% | 0.769 | 70% | 0.695 | S | S | * | * | trans | -86.7 | 75.8 | 156 | -57.3 | 174.2 | 0 | 0 | 0 | 104.4 | N290 | N290-I292 PolarHBondContact O-N 2.91Š| ||
| 293 | L | 47.1 | Very low | 53.4 | Low | 159 Ų | 159 | 130.5 Ų | 130.5 | 83% | 0.832 | 70% | 0.703 | S | S | * | * | trans | -99.9 | 95.4 | 162.2 | -157.3 | 72.9 | 0 | 0 | 0 | 106.5 | I291 | I291-L293 HydrophobicContact CG2-CB 4.1Å; I291-L293 PolarHBondContact O-N 3.28Å | ||
| 294 | G | 47.5 | Very low | 51.6 | Low | 33 Ų | 33 | 131.2 Ų | 131.2 | 34% | 0.34 | 71% | 0.708 | S | S | . | * | trans | -59.1 | 135 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L296 | G294-L296 PolarHBondContact O-N 3.06Š| ||
| 295 | H | 45.7 | Very low | 50 | Low | 190 Ų | 190 | 130.9 Ų | 130.9 | 88% | 0.88 | 72% | 0.716 | S | S | * | * | trans | 51.3 | 61.9 | 131.7 | -21.7 | -62.2 | 0 | 0 | 0 | 115.5 | ||||
| 296 | L | 44.5 | Very low | 49 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 85% | 0.853 | 71% | 0.713 | S | S | * | * | trans | -91.9 | 118.8 | 150.1 | -134.9 | 80.3 | 0 | 0 | 0 | 107.2 | G294 T298 | G294-L296 PolarHBondContact O-N 3.06Å; L296-T298 PolarHBondContact O-N 2.96Å | ||
| 297 | P | 51.4 | Low | 48.2 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | trans | -64.2 | 123.1 | 175.9 | 25.4 | -28.6 | 0 | 0 | 0 | 107.9 | L299 | P297-L299 PolarHBondContact O-N 3.49Š| ||
| 298 | T | 45.1 | Very low | 47.9 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 81% | 0.81 | 73% | 0.733 | S | S | * | * | trans | -54.8 | 96.9 | 159.5 | -48.9 | 0 | 0 | 0 | 0 | 106.6 | L296 S300 | L296-T298 PolarHBondContact O-N 2.96Å; T298-S300 PolarHBondContact O-N 3.12Å | ||
| 299 | L | 44.8 | Very low | 47.3 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | trans | -63.6 | 93.5 | 159.4 | -76.1 | 169.9 | 0 | 0 | 0 | 105.3 | P297 S301 | P297-L299 PolarHBondContact O-N 3.49Å; L299-S301 PolarHBondContact O-N 2.8Å | ||
| 300 | S | 40.9 | Very low | 47.2 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | -58.6 | 81.4 | 154.1 | 57 | 0 | 0 | 0 | 0 | 107.1 | T298 T302 | T298-S300 PolarHBondContact O-N 3.12Å; S300-T302 PolarHBondContact O-N 3.46Å | ||
| 301 | S | 41.5 | Very low | 46.9 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | -71.5 | 85.2 | 162 | 162.6 | 0 | 0 | 0 | 0 | 106.6 | L299 C303 | L299-S301 PolarHBondContact O-N 2.8Å; S301-C303 PolarHBondContact O-N 2.76Å | ||
| 302 | T | 39.6 | Very low | 46.8 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 83% | 0.828 | 76% | 0.755 | S | S | * | * | trans | -60.7 | 80.9 | 149.5 | 48.5 | 0 | 0 | 0 | 0 | 107.1 | S300 S304 | S300-T302 PolarHBondContact O-N 3.46Å; T302-S304 PolarHBondContact O-N 2.87Å | ||
| 303 | C | 37.2 | Very low | 46.8 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | trans | -80.9 | 105 | 163.4 | -145 | 0 | 0 | 0 | 0 | 105.5 | S301 T305 | S301-C303 PolarHBondContact O-N 2.76Å; C303-T305 PolarHBondContact O-N 3.42Å; C303-T305 VanDerWaalsContact O-N 3.1Å | ||
| 304 | S | 42.3 | Very low | 47.2 | Very low | 90 Ų | 90 | 134.4 Ų | 134.4 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | trans | -43.6 | 112.7 | 171.5 | 175.8 | 0 | 0 | 0 | 0 | 109.9 | T302 N306 | T302-S304 PolarHBondContact O-N 2.87Å; S304-N306 PolarHBondContact O-N 3.36Å | ||
| 305 | T | 41.6 | Very low | 47.5 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -64.6 | 87.5 | 158.1 | 34.5 | 0 | 0 | 0 | 0 | 107.8 | C303 | C303-T305 PolarHBondContact O-N 3.42Å; C303-T305 VanDerWaalsContact O-N 3.1Å |
| 306 | N | 50.3 | Low | 47.8 | Very low | 126 Ų | 126 | 139 Ų | 139 | 67% | 0.674 | 77% | 0.766 | S | S | * | * | trans | -164.7 | 128.2 | 157.3 | -76.3 | -36.4 | 0 | 0 | 0 | 104.8 | S304 | S304-N306 PolarHBondContact O-N 3.36Š| ||
| 307 | D | 48.4 | Very low | 48 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 109.8 | 20.6 | 173.3 | -51.6 | -21.7 | 0 | 0 | 0 | 119.2 | ||
| 308 | I | 53.1 | Low | 47.9 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | -120.2 | 49.5 | 167.7 | -43.6 | 179 | 0 | 0 | 0 | 111.6 | ||||
| 309 | D | 52.6 | Low | 47.9 | Very low | 162 Ų | 162 | 139 Ų | 139 | 87% | 0.866 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -108.4 | 11.4 | 172.1 | -84.9 | -28.4 | 0 | 0 | 0 | 113.6 | ||
| 310 | N | 55.2 | Low | 48.2 | Very low | 152 Ų | 152 | 140 Ų | 140 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -132.6 | 17.5 | -170.8 | -96.4 | -23 | 0 | 0 | 0 | 118 | ||
| 311 | Y | 48.9 | Very low | 48.6 | Very low | 218 Ų | 218 | 144.1 Ų | 144.1 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -136.4 | 15.1 | 175.8 | -90.2 | -83.9 | 0 | 0 | 0 | 115.6 | ||
| 312 | I | 53 | Low | 48.7 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 67% | 0.672 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -105.3 | 55.5 | 176.6 | -49.6 | 176.6 | 0 | 0 | 0 | 109.8 | ||
| 313 | N | 52.5 | Low | 49 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -135.1 | -5 | 174.5 | -116.5 | -2.7 | 0 | 0 | 0 | 116.8 | ||
| 314 | D | 54.6 | Low | 49.2 | Very low | 143 Ų | 143 | 145.3 Ų | 145.3 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -108.3 | 4.9 | -173 | -69.3 | -15.1 | 0 | 0 | 0 | 115.9 | ||
| 315 | N | 53.3 | Low | 49.2 | Very low | 144 Ų | 144 | 150.1 Ų | 150.1 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -121.6 | 12.6 | -178.6 | -80.2 | -26.2 | 0 | 0 | 0 | 115.3 | ||
| 316 | K | 52.9 | Low | 49.1 | Very low | 176 Ų | 176 | 152 Ų | 152 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -90.9 | -3.2 | 176.1 | -85.6 | -176.8 | 176.4 | 175 | 0 | 114.9 | ||
| 317 | E | 49.1 | Very low | 48.7 | Very low | 174 Ų | 174 | 154.3 Ų | 154.3 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -101.9 | -4.3 | -175 | -140.4 | 176.7 | 175.3 | 0 | 0 | 115.1 | ||
| 318 | A | 48.1 | Very low | 48.4 | Very low | 79 Ų | 79 | 154 Ų | 154 | 65% | 0.653 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -101.7 | -8.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 319 | I | 46.4 | Very low | 48 | Very low | 145 Ų | 145 | 156.1 Ų | 156.1 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -107.7 | 0.2 | -171.9 | -60.3 | 176.4 | 0 | 0 | 0 | 113 | ||
| 320 | Q | 50.6 | Low | 47.7 | Very low | 179 Ų | 179 | 156.7 Ų | 156.7 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -95.5 | 9.2 | 175.4 | -96.3 | 179.3 | -9 | 0 | 0 | 115.3 | ||
| 321 | K | 48.6 | Very low | 47.1 | Very low | 186 Ų | 186 | 159 Ų | 159 | 81% | 0.809 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -116.6 | 7.4 | -171.4 | -87.3 | 178.9 | 177.8 | 170.4 | 0 | 117.5 | ||
| 322 | S | 45.1 | Very low | 46.6 | Very low | 97 Ų | 97 | 153.9 Ų | 153.9 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -125.8 | 11.1 | -172.5 | 53.9 | 0 | 0 | 0 | 0 | 117.5 | ||
| 323 | N | 45 | Very low | 46.3 | Very low | 169 Ų | 169 | 156 Ų | 156 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -126.3 | 26.3 | -178.4 | -94.7 | -14.8 | 0 | 0 | 0 | 115.8 | ||
| 324 | S | 41.6 | Very low | 45.9 | Very low | 100 Ų | 100 | 154.8 Ų | 154.8 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -143.5 | 73.4 | 176.1 | 46.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 325 | Q | 42.1 | Very low | 45.4 | Very low | 191 Ų | 191 | 151.3 Ų | 151.3 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -171.4 | 68.7 | 166.9 | -111.9 | 175.4 | 17.2 | 0 | 0 | 110.5 | ||||
| 326 | L | 39.7 | Very low | 45.3 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -168.6 | 57.6 | 163.1 | -114.4 | 147.7 | 0 | 0 | 0 | 111.8 | ||
| 327 | M | 41.2 | Very low | 45.2 | Very low | 175 Ų | 175 | 152.5 Ų | 152.5 | 86% | 0.862 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -154.7 | 140 | 160 | -94.7 | -72 | -131.7 | 0 | 0 | 104.8 | ||
| 328 | D | 42.2 | Very low | 45.3 | Very low | 154 Ų | 154 | 152.7 Ų | 152.7 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | trans | 89.1 | 72.5 | -176.6 | -55.2 | -20.3 | 0 | 0 | 0 | 117.4 | ||||
| 329 | Q | 45.1 | Very low | 45 | Very low | 189 Ų | 189 | 154.2 Ų | 154.2 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | trans | -137.6 | 68.1 | 144.3 | -71.1 | -162.5 | 2.3 | 0 | 0 | 110.6 | ||||
| 330 | N | 47.2 | Very low | 44.9 | Very low | 173 Ų | 173 | 152 Ų | 152 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | trans | -126.7 | 76.4 | 155.5 | -82.6 | -24.5 | 0 | 0 | 0 | 106.6 | ||||
| 331 | K | 42 | Very low | 44.6 | Very low | 200 Ų | 200 | 151.6 Ų | 151.6 | 87% | 0.87 | 82% | 0.823 | S | S | * | * | trans | -115.2 | 128.1 | 176.5 | -147.3 | 168.9 | -174.6 | 179.1 | 0 | 109 | ||||
| 332 | C | 38.7 | Very low | 44.6 | Very low | 112 Ų | 112 | 151 Ų | 151 | 76% | 0.757 | 83% | 0.827 | S | S | * | * | trans | -43.7 | 131.8 | -175.8 | -48.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 333 | N | 46.2 | Very low | 44.7 | Very low | 174 Ų | 174 | 151.5 Ų | 151.5 | 93% | 0.93 | 83% | 0.828 | S | S | * | * | trans | -117.1 | 96.6 | 147.9 | -90.7 | -10.8 | 0 | 0 | 0 | 107.7 | ||||
| 334 | S | 45.4 | Very low | 44.5 | Very low | 117 Ų | 117 | 152.8 Ų | 152.8 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -84.5 | 131.8 | 161.8 | 53.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 335 | G | 44 | Very low | 44.9 | Very low | 69 Ų | 69 | 156.3 Ų | 156.3 | 71% | 0.711 | 84% | 0.838 | S | S | * | * | trans | 129.8 | 90.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 336 | D | 49.3 | Very low | 44.7 | Very low | 169 Ų | 169 | 152.1 Ų | 152.1 | 90% | 0.904 | 83% | 0.83 | S | S | * | * | -154 | 138.6 | 120.8 | -107.5 | -27.6 | 0 | 0 | 0 | 112 | |||||
| 337 | K | 51.7 | Low | 45 | Very low | 177 Ų | 177 | 148.3 Ų | 148.3 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | trans | -81.3 | 152.4 | -173.4 | -62.9 | 169.8 | 178.1 | 174.5 | 0 | 109.1 | ||||
| 338 | H | 51.7 | Low | 45.3 | Very low | 177 Ų | 177 | 146.3 Ų | 146.3 | 82% | 0.819 | 82% | 0.816 | S | S | * | * | 156.2 | 125.9 | 126.7 | -82.3 | -68.9 | 0 | 0 | 0 | 111.5 | |||||
| 339 | S | 41.1 | Very low | 45.5 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | 60.3 | 139.5 | 150.3 | -76.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 340 | S | 45.3 | Very low | 45.6 | Very low | 97 Ų | 97 | 145.6 Ų | 145.6 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | cis | -176.3 | 142.6 | 0.9 | 42.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 341 | M | 43 | Very low | 45.8 | Very low | 172 Ų | 172 | 144 Ų | 144 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | 57 | 116.2 | 146.9 | -65.9 | -164.4 | 75.9 | 0 | 0 | 120.1 | ||||
| 342 | L | 48.8 | Very low | 46.1 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | -157.4 | 145 | 122.1 | -96.1 | 171.1 | 0 | 0 | 0 | 109.3 | |||||
| 343 | P | 48.6 | Very low | 47 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -93.8 | 157.7 | -164.8 | 3.4 | 17.5 | 0 | 0 | 0 | 115.1 | ||||
| 344 | Q | 40 | Very low | 47.2 | Very low | 196 Ų | 196 | 145.1 Ų | 145.1 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -66.5 | 150.3 | 171.9 | -71.8 | 178.5 | -37.4 | 0 | 0 | 113.7 | ||||
| 345 | I | 49.6 | Very low | 47.6 | Very low | 174 Ų | 174 | 147.2 Ų | 147.2 | 89% | 0.892 | 79% | 0.791 | S | S | * | * | trans | -127.8 | 124.1 | 156.2 | -50.3 | 176.3 | 0 | 0 | 0 | 107.3 | ||||
| 346 | S | 38.4 | Very low | 47.8 | Very low | 103 Ų | 103 | 150 Ų | 150 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | -92.3 | 148.4 | 175.9 | 64.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 347 | A | 45.7 | Very low | 48.2 | Very low | 94 Ų | 94 | 148.7 Ų | 148.7 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | trans | -160.1 | 108.3 | 148 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 348 | N | 48.3 | Very low | 47.8 | Very low | 132 Ų | 132 | 146.8 Ų | 146.8 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | 17.3 | 150.7 | 121.9 | -69 | 33.7 | 0 | 0 | 0 | 117.9 | |||||
| 349 | D | 46 | Very low | 47.6 | Very low | 123 Ų | 123 | 144 Ų | 144 | 66% | 0.658 | 78% | 0.78 | S | S | * | * | cis | -171.8 | 178.5 | 2.7 | -97.5 | -33.7 | 0 | 0 | 0 | 105.8 | ||||
| 350 | Y | 46.7 | Very low | 47.9 | Very low | 206 Ų | 206 | 143.6 Ų | 143.6 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | trans | 94.2 | 90.5 | 159.4 | -78.6 | -87.8 | 0 | 0 | 0 | 120.2 | ||||
| 351 | N | 52.5 | Low | 47.6 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | 128.3 | 134.7 | 90.6 | -142.5 | -0.7 | 0 | 0 | 0 | 115.6 | |||||
| 352 | H | 47.6 | Very low | 47.6 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -78.7 | 148.9 | -173 | -70.1 | -79.7 | 0 | 0 | 0 | 113.4 | ||||
| 353 | N | 57.9 | Low | 47.2 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | trans | -151.4 | 124.9 | 132.7 | -112.3 | -16.6 | 0 | 0 | 0 | 110.7 | ||||
| 354 | K | 49 | Very low | 46.7 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | -118.5 | 123.7 | -171.1 | -153.8 | -176.7 | -170.1 | -173.5 | 0 | 106.5 | ||||
| 355 | I | 55.2 | Low | 46.8 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | trans | -121.4 | 109.2 | 165 | -66 | 177.6 | 0 | 0 | 0 | 106.9 | ||||
| 356 | N | 47.3 | Very low | 46.4 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 68% | 0.679 | 77% | 0.768 | S | S | * | * | trans | -81.5 | 133 | 166 | -90.9 | -2.7 | 0 | 0 | 0 | 108.4 | ||||
| 357 | V | 58.3 | Low | 46.5 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -130.6 | 134.8 | 147.6 | 178.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 358 | D | 43 | Very low | 46.3 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -116.2 | 174.8 | -154 | -158.4 | -2.9 | 0 | 0 | 0 | 108.8 | ||||
| 359 | V | 46.8 | Very low | 46.1 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | trans | 91.5 | 102.3 | 155 | -176.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 360 | S | 47.2 | Very low | 46 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | 121 | 100.4 | 128.1 | -72 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 361 | S | 39.3 | Very low | 45.9 | Very low | 107 Ų | 107 | 144 Ų | 144 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -41.8 | 141.1 | 151.2 | 43.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 362 | T | 42.7 | Very low | 45.7 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | -167.2 | 111 | 129.8 | 26.5 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 363 | S | 41 | Very low | 45.8 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 69% | 0.685 | 81% | 0.809 | S | S | * | * | trans | 43.6 | 117 | 133.4 | 54 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 364 | S | 38.4 | Very low | 45.3 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | 67.8 | 113 | 122.8 | -40.3 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 365 | S | 41.6 | Very low | 45 | Very low | 124 Ų | 124 | 146.1 Ų | 146.1 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | 166.3 | 129.4 | 114.4 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 366 | S | 41.2 | Very low | 44.7 | Very low | 114 Ų | 114 | 147 Ų | 147 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | -76.4 | 124.3 | -177.2 | -40.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 367 | Q | 40.7 | Very low | 44.7 | Very low | 193 Ų | 193 | 150.3 Ų | 150.3 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | -144.4 | 105.1 | 150.5 | -76.3 | -166.5 | -31 | 0 | 0 | 109.7 | ||||
| 368 | N | 41.5 | Very low | 44.1 | Very low | 166 Ų | 166 | 151 Ų | 151 | 89% | 0.888 | 83% | 0.825 | S | S | * | * | trans | -71.9 | 125.7 | 158 | -84.8 | -43.5 | 0 | 0 | 0 | 107.7 | ||||
| 369 | V | 43.5 | Very low | 44.6 | Very low | 133 Ų | 133 | 149.5 Ų | 149.5 | 81% | 0.806 | 82% | 0.822 | S | S | * | * | trans | 166.1 | 103.9 | 142.7 | 171.3 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 370 | D | 44.8 | Very low | 44.5 | Very low | 150 Ų | 150 | 151.1 Ų | 151.1 | 80% | 0.802 | 83% | 0.827 | S | S | * | * | trans | 170.8 | 106.2 | 149.5 | -97 | -17.6 | 0 | 0 | 0 | 110.2 | ||||
| 371 | R | 44.5 | Very low | 44.4 | Very low | 249 Ų | 249 | 153.7 Ų | 153.7 | 94% | 0.94 | 83% | 0.831 | S | S | * | * | trans | -168 | 62.5 | 160.5 | -111.1 | 173.5 | -168.8 | -174 | 4.1 | 111.1 | ||||
| 372 | C | 47.9 | Very low | 44.6 | Very low | 122 Ų | 122 | 155 Ų | 155 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -133.9 | -6.9 | 167.4 | -88.5 | 0 | 0 | 0 | 0 | 117.2 | ||
| 373 | D | 49.4 | Very low | 44.7 | Very low | 164 Ų | 164 | 154 Ų | 154 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -111.4 | 43.8 | -169.7 | -71.8 | -20.5 | 0 | 0 | 0 | 116.4 | ||
| 374 | R | 47.5 | Very low | 45 | Very low | 239 Ų | 239 | 155.9 Ų | 155.9 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -134.6 | 21.4 | 179 | -123.9 | -179.2 | -179.7 | -146 | -0.1 | 118.4 | ||||
| 375 | L | 44.2 | Very low | 45.5 | Very low | 168 Ų | 168 | 158.6 Ų | 158.6 | 88% | 0.88 | 82% | 0.819 | S | S | * | * | trans | -105.3 | 60.9 | 170.5 | -65.6 | 176.7 | 0 | 0 | 0 | 111.7 | ||||
| 376 | Q | 48.9 | Very low | 45.8 | Very low | 180 Ų | 180 | 160.4 Ų | 160.4 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | trans | -122.5 | 133.9 | 153.1 | -76.4 | -176.4 | 9.4 | 0 | 0 | 106.6 | ||||
| 377 | Q | 45.7 | Very low | 46.3 | Very low | 198 Ų | 198 | 157.9 Ų | 157.9 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | 90.7 | 81.5 | -172.7 | -53.7 | 175.2 | 35.8 | 0 | 0 | 114.6 | ||||
| 378 | L | 47 | Very low | 46.5 | Very low | 157 Ų | 157 | 153.9 Ų | 153.9 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -117.5 | 145 | 147.4 | -82.9 | 170.7 | 0 | 0 | 0 | 108.9 | ||||
| 379 | P | 53.6 | Low | 46.9 | Very low | 104 Ų | 104 | 152.1 Ų | 152.1 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | trans | -71.7 | 147.4 | -169.3 | -9.7 | 26.3 | 0 | 0 | 0 | 111.7 | I381 | P379-I381 PolarHBondContact O-N 3.5Š| ||
| 380 | N | 43.1 | Very low | 47.3 | Very low | 151 Ų | 151 | 153 Ų | 153 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | trans | -64.1 | 94.3 | 171.5 | -140.5 | 9 | 0 | 0 | 0 | 109.2 | ||||
| 381 | I | 45.9 | Very low | 47.7 | Very low | 160 Ų | 160 | 149.3 Ų | 149.3 | 82% | 0.821 | 75% | 0.749 | S | S | * | * | trans | -99.4 | 83.2 | 167 | -56.9 | 176.4 | 0 | 0 | 0 | 106.1 | P379 | P379-I381 PolarHBondContact O-N 3.5Š| ||
| 382 | Q | 44.1 | Very low | 47.7 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 63% | 0.626 | 73% | 0.733 | S | S | * | * | trans | -81.4 | 113.6 | 175.7 | -170.8 | 94.5 | -6.6 | 0 | 0 | 108.5 | ||||
| 383 | N | 43.5 | Very low | 48 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 60% | 0.599 | 72% | 0.724 | S | S | * | * | trans | 52.7 | 86.2 | 144.6 | -53.3 | -13.2 | 0 | 0 | 0 | 119.7 | ||||
| 384 | D | 47.3 | Very low | 47.7 | Very low | 139 Ų | 139 | 141 Ų | 141 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -135 | 12.3 | 161 | -90.4 | -28.2 | 0 | 0 | 0 | 114.4 | ||
| 385 | M | 50.1 | Low | 47.6 | Very low | 174 Ų | 174 | 135.5 Ų | 135.5 | 86% | 0.857 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -109.2 | -8.2 | 179.8 | -73.8 | -164.2 | -69.7 | 0 | 0 | 115.7 | ||
| 386 | E | 48.3 | Very low | 47.8 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 75% | 0.752 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -85.7 | -13.5 | 175.5 | -85.1 | 176.5 | 162.8 | 0 | 0 | 113.7 | ||
| 387 | S | 50.6 | Low | 47.8 | Very low | 62 Ų | 62 | 133.8 Ų | 133.8 | 43% | 0.434 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -79.7 | -20.7 | 178.6 | 60.7 | 0 | 0 | 0 | 0 | 114.3 | V391 | S387-V391 WeakPolarHBondContact O-CG2 3.45Å |
| 388 | N | 46.1 | Very low | 47.9 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 58% | 0.583 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -90.8 | -10.1 | -174.2 | -75.4 | -40.8 | 0 | 0 | 0 | 114.8 | N392 | N388-N392 PolarHBondContact O-ND2 3.43Å |
| 389 | L | 49.1 | Very low | 47.8 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 68% | 0.675 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -93.7 | -28.5 | 175.6 | -155.5 | 72.5 | 0 | 0 | 0 | 112.5 | ||
| 390 | E | 51.8 | Low | 47.5 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -79.9 | -32.9 | 174.5 | -74 | -171.7 | 154.1 | 0 | 0 | 112.7 | N392 Q393 L394 | E390-N392 VanDerWaalsContact C-N 3.32Å; E390-N392 PolarHBondContact O-N 3.06Å; E390-Q393 PolarHBondContact O-N 3.03Å; E390-L394 WeakPolarHBondContact O-CB 3.36Å; E390-L394 PolarHBondContact O-N 3.48Å |
| 391 | V | 52.5 | Low | 47.4 | Very low | 73 Ų | 73 | 130.8 Ų | 130.8 | 44% | 0.442 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -64.8 | -34.8 | 178.1 | 170.9 | 0 | 0 | 0 | 0 | 112.1 | S387 I395 | S387-V391 WeakPolarHBondContact O-CG2 3.45Å; V391-I395 HydrophobicContact CG1-CD1 3.9Å; V391-I395 VanDerWaalsContact O-CD1 3.27Å; V391-I395 WeakPolarHBondContact O-CD1 3.39Å; V391-I395 WeakPolarHBondContact O-CG1 3.45Å; V391-I395 PolarHBondContact O-N 3.19Å |
| 392 | N | 46.1 | Very low | 47.3 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 61% | 0.61 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -80.1 | -15.1 | 178.1 | -74.1 | -36.8 | 0 | 0 | 0 | 114.4 | N388 E390 | N388-N392 PolarHBondContact O-ND2 3.43Å; E390-N392 VanDerWaalsContact C-N 3.32Å; E390-N392 PolarHBondContact O-N 3.06Å |
| 393 | Q | 53.6 | Low | 47.2 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -95.2 | -23.1 | 171.7 | -76.5 | -178.2 | 41.7 | 0 | 0 | 113.1 | E390 | E390-Q393 PolarHBondContact O-N 3.03Å |
| 394 | L | 42.8 | Very low | 47.5 | Very low | 112 Ų | 112 | 140 Ų | 140 | 59% | 0.586 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -82.2 | -20.1 | 178.2 | -152 | 73.8 | 0 | 0 | 0 | 113.4 | E390 M396 N398 | E390-L394 WeakPolarHBondContact O-CB 3.36Å; E390-L394 PolarHBondContact O-N 3.48Å; L394-M396 VanDerWaalsContact C-N 3.34Å; L394-N398 PolarHBondContact O-ND2 2.77Å |
| 395 | I | 45.7 | Very low | 47.5 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 63% | 0.631 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -20.9 | 177.5 | -71.1 | 167.3 | 0 | 0 | 0 | 112.5 | V391 | V391-I395 HydrophobicContact CG1-CD1 3.9Å; V391-I395 VanDerWaalsContact O-CD1 3.27Å; V391-I395 WeakPolarHBondContact O-CD1 3.39Å; V391-I395 WeakPolarHBondContact O-CG1 3.45Å; V391-I395 PolarHBondContact O-N 3.19Å |
| 396 | M | 47.9 | Very low | 47 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 80% | 0.798 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -1.5 | 178.1 | -66 | -157.9 | -64.3 | 0 | 0 | 114.9 | L394 | L394-M396 VanDerWaalsContact C-N 3.34Š|
| 397 | M | 49.8 | Very low | 46.6 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 74% | 0.739 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -124.1 | 9.8 | -174.9 | -74.8 | -161.7 | -74.8 | 0 | 0 | 115.8 | ||
| 398 | N | 46.5 | Very low | 46.2 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 69% | 0.69 | 72% | 0.716 | S | S | * | * | trans | -117.7 | 65 | 179.3 | -74.3 | -40.6 | 0 | 0 | 0 | 112.9 | L394 K400 | L394-N398 PolarHBondContact O-ND2 2.77Å; N398-K400 PolarHBondContact O-N 2.64Å | ||
| 399 | G | 46.2 | Very low | 46 | Very low | 76 Ų | 76 | 144.7 Ų | 144.7 | 78% | 0.784 | 73% | 0.726 | S | S | * | * | trans | -83.2 | 98 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 400 | K | 47.7 | Very low | 45.5 | Very low | 208 Ų | 208 | 145.3 Ų | 145.3 | 90% | 0.904 | 73% | 0.725 | S | S | * | * | trans | 10 | 108.8 | 159.6 | -80.1 | 171.9 | 173.7 | 171.7 | 0 | 118 | N398 | N398-K400 PolarHBondContact O-N 2.64Š| ||
| 401 | V | 39.4 | Very low | 45.1 | Very low | 134 Ų | 134 | 145.1 Ų | 145.1 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | trans | -116.2 | 106.8 | 146 | 178.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 402 | R | 44.9 | Very low | 44.5 | Very low | 247 Ų | 247 | 146.6 Ų | 146.6 | 93% | 0.932 | 74% | 0.743 | S | S | * | * | trans | -135.6 | 119.9 | 159.3 | -147.1 | -177.8 | -71.6 | -175.9 | -0.4 | 109.3 | ||||
| 403 | K | 41.8 | Very low | 44.2 | Very low | 186 Ų | 186 | 146 Ų | 146 | 81% | 0.809 | 75% | 0.748 | S | S | * | * | trans | -73.7 | 140.4 | -174.3 | -63.7 | 170.7 | 173.2 | 179.6 | 0 | 111.5 | ||||
| 404 | L | 49.1 | Very low | 43.5 | Very low | 168 Ų | 168 | 147.7 Ų | 147.7 | 88% | 0.88 | 76% | 0.756 | S | S | * | * | trans | -139.9 | 91.2 | 156.2 | -67.4 | 173.9 | 0 | 0 | 0 | 104.5 | ||||
| 405 | S | 47 | Very low | 43.2 | Very low | 90 Ų | 90 | 150 Ų | 150 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | 57.2 | 111.6 | 98.4 | 79.6 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 406 | N | 40.1 | Very low | 43.2 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | 64 | 126 | 147.9 | -46.1 | -11.1 | 0 | 0 | 0 | 116.2 | ||||
| 407 | H | 41.1 | Very low | 42.8 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 75% | 0.75 | 77% | 0.774 | S | S | * | * | -164.7 | 156.9 | 51.9 | -136 | -64.1 | 0 | 0 | 0 | 110.4 | |||||
| 408 | E | 41 | Very low | 42.4 | Very low | 138 Ų | 138 | 151.2 Ų | 151.2 | 65% | 0.645 | 78% | 0.776 | S | S | * | * | trans | -49.5 | 144.8 | 174.6 | -57.3 | 144.2 | 153.1 | 0 | 0 | 115.4 | ||||
| 409 | Y | 42.8 | Very low | 42.2 | Very low | 201 Ų | 201 | 150.7 Ų | 150.7 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | 179.9 | 158.9 | 98.9 | -114.7 | -87.8 | 0 | 0 | 0 | 111.9 | |||||
| 410 | E | 38.7 | Very low | 42 | Very low | 142 Ų | 142 | 155.4 Ų | 155.4 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | trans | -76 | 177 | -160.8 | -60.1 | 164.8 | 128.4 | 0 | 0 | 117.1 | ||||
| 411 | N | 42.5 | Very low | 41.5 | Very low | 148 Ų | 148 | 153.6 Ų | 153.6 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 83.1 | 142.7 | 154 | -62.1 | -27.8 | 0 | 0 | 0 | 116.1 | ||||
| 412 | S | 39.8 | Very low | 41.3 | Very low | 104 Ų | 104 | 152.7 Ų | 152.7 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | cis | -170.4 | 155.7 | -6.5 | 165.4 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 413 | S | 39 | Very low | 41.4 | Very low | 101 Ų | 101 | 148.7 Ų | 148.7 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | -48.8 | 170.8 | 179 | -49.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 414 | Q | 40 | Very low | 41.1 | Very low | 170 Ų | 170 | 148.8 Ų | 148.8 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | 102.2 | 104.7 | 156.6 | -70.7 | 168.7 | -48.7 | 0 | 0 | 116 | ||||
| 415 | E | 37 | Very low | 40.8 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | 90.2 | 101.4 | 74.8 | -172 | 180 | -134.4 | 0 | 0 | 110.7 | |||||
| 416 | V | 45.7 | Very low | 40.5 | Very low | 146 Ų | 146 | 148.1 Ų | 148.1 | 89% | 0.885 | 76% | 0.763 | S | S | * | * | trans | -149.3 | 105 | 151.2 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 417 | I | 38.6 | Very low | 40.5 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -95.7 | 131.5 | 158.6 | -66.9 | 168.5 | 0 | 0 | 0 | 106.1 | ||||
| 418 | Q | 41.6 | Very low | 40.5 | Very low | 164 Ų | 164 | 149.8 Ų | 149.8 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | trans | 174.2 | 148 | 133.4 | -104.8 | 177.7 | -4.6 | 0 | 0 | 114.4 | ||||
| 419 | N | 41.4 | Very low | 40.4 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 63% | 0.626 | 77% | 0.772 | S | S | * | * | trans | 90.4 | 126.2 | 156.6 | -60.7 | -15.7 | 0 | 0 | 0 | 116.7 | ||||
| 420 | H | 42.9 | Very low | 40.4 | Very low | 175 Ų | 175 | 145.4 Ų | 145.4 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | cis | -153.8 | 146.3 | 9.9 | -98.7 | -56.5 | 0 | 0 | 0 | 110.8 | ||||
| 421 | Q | 36.4 | Very low | 40.6 | Very low | 171 Ų | 171 | 147.5 Ų | 147.5 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | trans | -104.8 | 159.4 | 170.6 | -129.1 | 173 | 4.5 | 0 | 0 | 109.8 | ||||
| 422 | T | 36.6 | Very low | 40.5 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 73.3 | 120.5 | 153.7 | 47.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 423 | N | 46.4 | Very low | 40.7 | Very low | 162 Ų | 162 | 147.6 Ų | 147.6 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | -165.1 | 110.8 | 109 | -86.3 | -20.3 | 0 | 0 | 0 | 111.5 | |||||
| 424 | E | 35.7 | Very low | 40.9 | Very low | 188 Ų | 188 | 149 Ų | 149 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | -82.3 | 143.1 | 154.9 | -69.7 | -178.1 | 152.3 | 0 | 0 | 108.8 | ||||
| 425 | S | 42.2 | Very low | 41.2 | Very low | 104 Ų | 104 | 148.3 Ų | 148.3 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | 164.9 | 141.3 | 122.7 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 426 | N | 41.1 | Very low | 41.5 | Very low | 141 Ų | 141 | 147.9 Ų | 147.9 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | 75.7 | 107.6 | 148.1 | -63.3 | -20.7 | 0 | 0 | 0 | 119.9 | ||||
| 427 | L | 41.2 | Very low | 41.7 | Very low | 173 Ų | 173 | 148.5 Ų | 148.5 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | -177.5 | 139.5 | 93.2 | -101.2 | 144 | 0 | 0 | 0 | 113.3 | |||||
| 428 | Q | 39.7 | Very low | 42.4 | Very low | 175 Ų | 175 | 147.9 Ų | 147.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -76.1 | 161.3 | -177.8 | -85.8 | 158.7 | -55.6 | 0 | 0 | 114.9 | ||||
| 429 | S | 40.1 | Very low | 42.6 | Very low | 96 Ų | 96 | 148.7 Ų | 148.7 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | trans | 80.9 | 110.3 | 146.3 | 74.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 430 | N | 42.3 | Very low | 43 | Very low | 150 Ų | 150 | 148.4 Ų | 148.4 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | 177.2 | 127.4 | 83.1 | -95 | -36.7 | 0 | 0 | 0 | 112.9 | |||||
| 431 | K | 41.8 | Very low | 43.5 | Very low | 187 Ų | 187 | 148.9 Ų | 148.9 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | 15.4 | 129.9 | 143.9 | -84.8 | -175.6 | 170.8 | 176.7 | 0 | 121.7 | ||||
| 432 | V | 40.3 | Very low | 44.3 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | 80.2 | 102.2 | 125.1 | 178.3 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 433 | N | 45 | Very low | 44.9 | Very low | 143 Ų | 143 | 149.4 Ų | 149.4 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | 172.6 | 146.3 | 100.2 | -107.3 | -22.9 | 0 | 0 | 0 | 113.1 | |||||
| 434 | N | 42.6 | Very low | 45.2 | Very low | 130 Ų | 130 | 148 Ų | 148 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | trans | -35.3 | 143.9 | 174 | -54.9 | -26.3 | 0 | 0 | 0 | 116.7 | ||||
| 435 | N | 47.8 | Very low | 45.8 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | 179.9 | 132 | 110.6 | -84.5 | -17.3 | 0 | 0 | 0 | 112.3 | |||||
| 436 | N | 43.4 | Very low | 46.1 | Very low | 152 Ų | 152 | 149.8 Ų | 149.8 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -57 | 132.4 | 167.6 | -55.5 | -38.2 | 0 | 0 | 0 | 110.1 | ||||
| 437 | D | 49.9 | Very low | 46.4 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -175 | 20.7 | 158.8 | -98.7 | -18.8 | 0 | 0 | 0 | 116.4 | ||||
| 438 | T | 51.3 | Low | 46.6 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -107.7 | 0.9 | -175.6 | 41.7 | 0 | 0 | 0 | 0 | 116.2 | ||
| 439 | E | 46 | Very low | 47 | Very low | 181 Ų | 181 | 144.9 Ų | 144.9 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -107.7 | 1.4 | -170.9 | -144.4 | 167.6 | -170.4 | 0 | 0 | 115.5 | ||
| 440 | V | 51.5 | Low | 47.1 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -101.1 | -6.8 | 179.3 | -179.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 441 | K | 51.7 | Low | 47.3 | Very low | 185 Ų | 185 | 150.3 Ų | 150.3 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -90.8 | -5.9 | -171.3 | -143 | 171.5 | -176.2 | 177.8 | 0 | 115.5 | ||
| 442 | L | 53.3 | Low | 47.3 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -104.2 | -8.8 | 177.3 | -83.8 | 161.4 | 0 | 0 | 0 | 114.2 | ||
| 443 | M | 49.3 | Very low | 47.7 | Very low | 152 Ų | 152 | 149.2 Ų | 149.2 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -97.5 | -5.9 | -177.1 | -80.7 | -76.9 | -78.8 | 0 | 0 | 114.8 | ||
| 444 | N | 53.8 | Low | 47.5 | Very low | 132 Ų | 132 | 149.7 Ų | 149.7 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -106 | 2.1 | -179.4 | -78.9 | -22.7 | 0 | 0 | 0 | 114.6 | ||
| 445 | E | 47.7 | Very low | 47.9 | Very low | 166 Ų | 166 | 151.3 Ų | 151.3 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -100.3 | 2.4 | -176.5 | -147.4 | 164.7 | -166.5 | 0 | 0 | 113.6 | ||
| 446 | L | 49.5 | Very low | 47.4 | Very low | 164 Ų | 164 | 149.3 Ų | 149.3 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -115.5 | 3 | -178.9 | -86.7 | 160.9 | 0 | 0 | 0 | 115.1 | ||
| 447 | T | 47.3 | Very low | 47.7 | Very low | 119 Ų | 119 | 149.8 Ų | 149.8 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -112.9 | 14.3 | -169.2 | -10.9 | 0 | 0 | 0 | 0 | 115 | ||
| 448 | G | 43.8 | Very low | 47.6 | Very low | 66 Ų | 66 | 149.7 Ų | 149.7 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | -126.6 | 71.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 449 | K | 48.5 | Very low | 47.1 | Very low | 201 Ų | 201 | 151.7 Ų | 151.7 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -179.7 | 99.4 | 161.7 | -98.7 | 151.7 | -168.7 | -176.4 | 0 | 108.6 | ||||
| 450 | L | 43.3 | Very low | 47.1 | Very low | 181 Ų | 181 | 150.6 Ų | 150.6 | 95% | 0.948 | 80% | 0.799 | S | S | * | * | trans | 164.6 | 87.7 | 146.5 | -87.3 | 161.7 | 0 | 0 | 0 | 108.2 | ||||
| 451 | Q | 45.1 | Very low | 46.8 | Very low | 180 Ų | 180 | 154 Ų | 154 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -107.8 | 130.2 | 165.2 | -106.3 | 178.8 | -19.1 | 0 | 0 | 109 | ||||
| 452 | T | 42.2 | Very low | 46.3 | Very low | 110 Ų | 110 | 154.1 Ų | 154.1 | 68% | 0.675 | 81% | 0.813 | S | S | * | * | trans | 62.2 | 114.2 | 144.9 | 63.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 453 | N | 48.9 | Very low | 45.8 | Very low | 164 Ų | 164 | 151.8 Ų | 151.8 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | -154.5 | 122.6 | 120.5 | -87.1 | -29 | 0 | 0 | 0 | 109.8 | |||||
| 454 | D | 41.6 | Very low | 45.4 | Very low | 154 Ų | 154 | 153.3 Ų | 153.3 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -59.6 | 140.4 | 173.2 | -63.2 | -57.9 | 0 | 0 | 0 | 111.9 | ||||
| 455 | L | 49.4 | Very low | 44.8 | Very low | 163 Ų | 163 | 155.6 Ų | 155.6 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | -162.4 | 113.3 | 151.2 | -103.5 | 150.6 | 0 | 0 | 0 | 109.8 | ||||
| 456 | S | 38.7 | Very low | 44.4 | Very low | 115 Ų | 115 | 155.4 Ų | 155.4 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -75.5 | 120.3 | 173.7 | 43.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 457 | I | 48.6 | Very low | 44.2 | Very low | 161 Ų | 161 | 155.6 Ų | 155.6 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | trans | -137.2 | 130.6 | 162.7 | -60.7 | -176.6 | 0 | 0 | 0 | 110.7 | ||||
| 458 | N | 47.7 | Very low | 43.6 | Very low | 156 Ų | 156 | 155.2 Ų | 155.2 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | trans | -53.6 | 143.7 | -171.1 | -123.8 | -25.1 | 0 | 0 | 0 | 116.4 | ||||
| 459 | H | 40.7 | Very low | 43.6 | Very low | 180 Ų | 180 | 158.2 Ų | 158.2 | 83% | 0.833 | 82% | 0.819 | S | S | * | * | trans | -70.3 | 122.1 | 158.7 | -84 | -76.4 | 0 | 0 | 0 | 110.4 | ||||
| 460 | N | 46.2 | Very low | 42.9 | Very low | 159 Ų | 159 | 158 Ų | 158 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | trans | -169.5 | 154 | 139 | -119.3 | -14 | 0 | 0 | 0 | 112.4 | ||||
| 461 | E | 45.3 | Very low | 42.9 | Very low | 183 Ų | 183 | 156 Ų | 156 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | 95.9 | 90.8 | 166.4 | -54.5 | -165.1 | 163.9 | 0 | 0 | 118.7 | ||||
| 462 | M | 41.3 | Very low | 42.6 | Very low | 186 Ų | 186 | 154.4 Ų | 154.4 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -60.7 | 128.3 | 146.4 | -70.5 | -169.6 | -70.4 | 0 | 0 | 111.3 | ||||
| 463 | S | 42.2 | Very low | 42.7 | Very low | 95 Ų | 95 | 157 Ų | 157 | 66% | 0.664 | 82% | 0.817 | S | S | * | * | 176.2 | 125.2 | 129.3 | -106.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 464 | K | 42.3 | Very low | 42.1 | Very low | 184 Ų | 184 | 156.9 Ų | 156.9 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | trans | 54.2 | 95.8 | 132 | -59.4 | 175.9 | -178.2 | 176.2 | 0 | 117.8 | ||||
| 465 | H | 41 | Very low | 42 | Very low | 181 Ų | 181 | 154.7 Ų | 154.7 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | -149.3 | 99.6 | 138.7 | -125.8 | 53.7 | 0 | 0 | 0 | 111.9 | ||||
| 466 | N | 40.1 | Very low | 41.9 | Very low | 161 Ų | 161 | 156.1 Ų | 156.1 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -81 | 109.4 | 158.2 | -86.7 | -21.7 | 0 | 0 | 0 | 106.9 | ||||
| 467 | H | 43.8 | Very low | 42.1 | Very low | 169 Ų | 169 | 159.2 Ų | 159.2 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | trans | -162.5 | 129.7 | 154 | -113.7 | 44.6 | 0 | 0 | 0 | 111.9 | ||||
| 468 | S | 35.1 | Very low | 41.9 | Very low | 111 Ų | 111 | 159.3 Ų | 159.3 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | 72 | 139.6 | 157.9 | -138.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 469 | I | 43.7 | Very low | 41.7 | Very low | 128 Ų | 128 | 160 Ų | 160 | 66% | 0.656 | 81% | 0.814 | S | S | * | * | -165.4 | 129.2 | 62.3 | -76 | 165.5 | 0 | 0 | 0 | 107.4 | L471 | I469-L471 HydrophobicContact CG2-CB 4.47Å; I469-L471 HydrophobicContact CG2-CD1 3.86Å; I469-L471 HydrophobicContact CG2-CG 3.61Å; I469-L471 PolarHBondContact O-N 3.06Å | |||
| 470 | Q | 33.9 | Very low | 42 | Very low | 196 Ų | 196 | 157.8 Ų | 157.8 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -72.3 | 110.3 | 163.4 | -163.6 | 170.8 | 11.4 | 0 | 0 | 107.1 | ||||
| 471 | L | 44 | Very low | 42.1 | Very low | 140 Ų | 140 | 155.2 Ų | 155.2 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | trans | -116.3 | 113.9 | 175 | -92.7 | 160.4 | 0 | 0 | 0 | 109.4 | I469 L473 | I469-L471 HydrophobicContact CG2-CB 4.47Å; I469-L471 HydrophobicContact CG2-CD1 3.86Å; I469-L471 HydrophobicContact CG2-CG 3.61Å; I469-L471 PolarHBondContact O-N 3.06Å; L471-L473 PolarHBondContact O-N 2.71Å | ||
| 472 | D | 37.2 | Very low | 42 | Very low | 147 Ų | 147 | 155.7 Ų | 155.7 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | trans | -56 | 114.9 | 166.7 | -75.7 | -44.4 | 0 | 0 | 0 | 110.6 | ||||
| 473 | L | 44.6 | Very low | 42.1 | Very low | 165 Ų | 165 | 153.3 Ų | 153.3 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -117.4 | 68.1 | 168.1 | -72.2 | 174 | 0 | 0 | 0 | 109.5 | L471 | L471-L473 PolarHBondContact O-N 2.71Š| ||
| 474 | N | 36.2 | Very low | 42.3 | Very low | 161 Ų | 161 | 154.6 Ų | 154.6 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | -104.1 | 81.3 | 164.7 | -89.5 | -24.6 | 0 | 0 | 0 | 109 | ||||
| 475 | S | 40.1 | Very low | 42.5 | Very low | 107 Ų | 107 | 152.9 Ų | 152.9 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 175.6 | 103.6 | 157.2 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | ||
| 476 | K | 46.4 | Very low | 42.6 | Very low | 193 Ų | 193 | 149.1 Ų | 149.1 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | 147.3 | 10.2 | 153.5 | -80.9 | 174.8 | 176 | -176 | 0 | 117.5 | N478 | K476-N478 PolarHBondContact O-N 2.85Š| ||
| 477 | E | 44 | Very low | 42.6 | Very low | 181 Ų | 181 | 150.7 Ų | 150.7 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 12.4 | -179.4 | -72.6 | -166.8 | 152.8 | 0 | 0 | 116.7 | ||
| 478 | N | 45.1 | Very low | 42.6 | Very low | 162 Ų | 162 | 147.5 Ų | 147.5 | 87% | 0.866 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 7.6 | -173.1 | -82 | -9.6 | 0 | 0 | 0 | 116.7 | K476 | K476-N478 PolarHBondContact O-N 2.85Š|
| 479 | E | 41.7 | Very low | 43 | Very low | 170 Ų | 170 | 147.5 Ų | 147.5 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -121 | -11.1 | -173.8 | -130.9 | 165.5 | -169.2 | 0 | 0 | 115.2 | ||
| 480 | L | 47 | Very low | 42.9 | Very low | 134 Ų | 134 | 146.4 Ų | 146.4 | 70% | 0.702 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -96.1 | -4 | -174.7 | -89 | 149.3 | 0 | 0 | 0 | 115.3 | ||
| 481 | T | 49.3 | Very low | 43.4 | Very low | 106 Ų | 106 | 146.4 Ų | 146.4 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -96.6 | -10.4 | -178.5 | 40.2 | 0 | 0 | 0 | 0 | 114 | ||
| 482 | Y | 42.1 | Very low | 43.5 | Very low | 192 Ų | 192 | 146 Ų | 146 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -94.1 | -28.9 | -178.5 | -124.1 | -94.2 | 0 | 0 | 0 | 114.1 | ||
| 483 | E | 43.8 | Very low | 43.7 | Very low | 137 Ų | 137 | 146.1 Ų | 146.1 | 64% | 0.64 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -81.1 | -29.9 | -178.4 | -80 | -173.9 | 144.5 | 0 | 0 | 114.1 | H485 I486 Y487 | E483-H485 VanDerWaalsContact C-N 3.25Å; E483-H485 PolarHBondContact O-N 3.48Å; E483-I486 PolarHBondContact O-N 3.43Å; E483-Y487 PolarHBondContact O-N 3.37Å |
| 484 | N | 47.8 | Very low | 44 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 65% | 0.652 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -16.8 | 179.5 | -92.8 | -33.3 | 0 | 0 | 0 | 114 | T488 | N484-T488 PolarHBondContact O-OG1 3.22Š|
| 485 | H | 45.2 | Very low | 44.5 | Very low | 147 Ų | 147 | 146 Ų | 146 | 68% | 0.681 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -19.8 | 175.3 | -106.9 | -16.7 | 0 | 0 | 0 | 113.9 | E483 T489 | E483-H485 VanDerWaalsContact C-N 3.25Å; E483-H485 PolarHBondContact O-N 3.48Å; H485-T489 PolarHBondContact O-OG1 2.85Å |
| 486 | I | 43.2 | Very low | 45.4 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 53% | 0.528 | 71% | 0.708 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.7 | -29.8 | -178.7 | -63 | 176.5 | 0 | 0 | 0 | 111.4 | E483 T490 | E483-I486 PolarHBondContact O-N 3.43Å; I486-T490 PolarHBondContact O-OG1 3.49Å; I486-T490 VanDerWaalsContact O-OG1 3.09Å |
| 487 | Y | 39.6 | Very low | 46 | Very low | 193 Ų | 193 | 141.3 Ų | 141.3 | 76% | 0.757 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -24.7 | -179.8 | -97.9 | -86 | 0 | 0 | 0 | 114.8 | E483 | E483-Y487 PolarHBondContact O-N 3.37Š|
| 488 | T | 43.9 | Very low | 46.9 | Very low | 102 Ų | 102 | 137 Ų | 137 | 63% | 0.626 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -15 | 176.1 | 36.4 | 0 | 0 | 0 | 0 | 114.5 | N484 | N484-T488 PolarHBondContact O-OG1 3.22Š|
| 489 | T | 43.4 | Very low | 47.9 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 69% | 0.687 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -9.5 | -173.6 | -47 | 0 | 0 | 0 | 0 | 113.5 | H485 | H485-T489 PolarHBondContact O-OG1 2.85Š|
| 490 | T | 41.9 | Very low | 49.1 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 64% | 0.644 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -100.9 | 9.8 | -168.7 | -47.2 | 0 | 0 | 0 | 0 | 114.2 | I486 | I486-T490 PolarHBondContact O-OG1 3.49Å; I486-T490 VanDerWaalsContact O-OG1 3.09Å |
| 491 | K | 45.3 | Very low | 50.4 | Low | 196 Ų | 196 | 133.7 Ų | 133.7 | 85% | 0.852 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -126.5 | 18.6 | -176.2 | -89.3 | -171.9 | 176.8 | -178.5 | 0 | 117.3 | ||
| 492 | M | 45.7 | Very low | 51.5 | Low | 130 Ų | 130 | 133.2 Ų | 133.2 | 64% | 0.64 | 65% | 0.652 | S | S | * | * | trans | -117 | 47.8 | -179 | -68.5 | -99.6 | -71.5 | 0 | 0 | 113.3 | H494 E495 | M492-H494 PolarHBondContact O-N 3.43Å; M492-E495 VanDerWaalsContact CE-OE2 3.28Å; M492-E495 WeakPolarHBondContact CE-OE2 3.42Å | ||
| 493 | N | 42 | Very low | 53.3 | Low | 150 Ų | 150 | 129.3 Ų | 129.3 | 80% | 0.802 | 64% | 0.643 | S | S | * | * | trans | -87.8 | 79.4 | 173 | -76.7 | -21.9 | 0 | 0 | 0 | 110.5 | ||||
| 494 | H | 50.1 | Low | 55.1 | Low | 194 Ų | 194 | 130.1 Ų | 130.1 | 90% | 0.898 | 65% | 0.645 | S | S | * | * | trans | 175.5 | 73.3 | 151.8 | -95.8 | -55.4 | 0 | 0 | 0 | 109.2 | M492 | M492-H494 PolarHBondContact O-N 3.43Š| ||
| 495 | E | 47.5 | Very low | 56.6 | Low | 129 Ų | 129 | 129.4 Ų | 129.4 | 60% | 0.603 | 64% | 0.637 | S | S | * | * | trans | -140.9 | 146.3 | 176.5 | -112.6 | 165.8 | -170.3 | 0 | 0 | 112.4 | M492 | M492-E495 VanDerWaalsContact CE-OE2 3.28Å; M492-E495 WeakPolarHBondContact CE-OE2 3.42Å | ||
| 496 | S | 58.9 | Low | 58.2 | Low | 57 Ų | 57 | 128 Ų | 128 | 40% | 0.399 | 63% | 0.633 | S | S | . | * | trans | -61.2 | 154.2 | -157.9 | 78.7 | 0 | 0 | 0 | 0 | 113.9 | T498 D499 | S496-T498 PolarHBondContact O-N 3.34Å; S496-T498 WeakPolarHBondContact OG-CB 3.38Å; S496-T498 PolarHBondContact OG-N 3.23Å; S496-T498 PolarHBondContact OG-OG1 2.85Å; S496-D499 PolarHBondContact O-N 3.09Å; S496-D499 VanDerWaalsContact O-N 3.13Å; S496-D499 PolarHBondContact OG-OD2 3.07Å | ||
| 497 | N | 58.5 | Low | 60.1 | Low | 145 Ų | 145 | 126.3 Ų | 126.3 | 78% | 0.775 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -54.6 | -16.4 | 172.8 | -94.6 | -29.8 | 0 | 0 | 0 | 113.8 | ||
| 498 | T | 63.5 | Low | 62.3 | Low | 91 Ų | 91 | 123.8 Ų | 123.8 | 56% | 0.558 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.9 | -39.4 | 179.9 | -30.3 | 0 | 0 | 0 | 0 | 111.9 | S496 K501 N502 | S496-T498 PolarHBondContact O-N 3.34Å; S496-T498 WeakPolarHBondContact OG-CB 3.38Å; S496-T498 PolarHBondContact OG-N 3.23Å; S496-T498 PolarHBondContact OG-OG1 2.85Å; T498-K501 PolarHBondContact O-N 3.15Å; T498-N502 PolarHBondContact O-N 3.15Å |
| 499 | D | 66.4 | Low | 64.2 | Low | 66 Ų | 66 | 123.2 Ų | 123.2 | 35% | 0.353 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -73.8 | -33.8 | -175.6 | -59.1 | -53.2 | 0 | 0 | 0 | 111.9 | S496 K501 N502 I503 | S496-D499 PolarHBondContact O-N 3.09Å; S496-D499 VanDerWaalsContact O-N 3.13Å; S496-D499 PolarHBondContact OG-OD2 3.07Å; D499-K501 VanDerWaalsContact C-N 3.27Å; D499-K501 PolarHBondContact O-N 3.17Å; D499-N502 PolarHBondContact O-N 3.01Å; D499-I503 VanDerWaalsContact O-CG1 3.3Å; D499-I503 WeakPolarHBondContact O-CG1 3.19Å; D499-I503 PolarHBondContact O-N 2.84Å |
| 500 | R | 66.6 | Low | 66.2 | Low | 179 Ų | 179 | 123.4 Ų | 123.4 | 68% | 0.675 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.2 | -32.6 | 171.3 | -81.9 | -174.8 | 176.8 | -179.4 | -0 | 113 | K504 | R500-K504 WeakPolarHBondContact O-CG 3.44Å; R500-K504 PolarHBondContact O-N 3.35Å |
| 501 | K | 74.2 | Confident | 68.4 | Low | 151 Ų | 151 | 122.9 Ų | 122.9 | 66% | 0.657 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.3 | -43.6 | 178.8 | -162.3 | 176.9 | 179.1 | -175.7 | 0 | 110.9 | T498 D499 I503 K504 E505 | T498-K501 PolarHBondContact O-N 3.15Å; D499-K501 VanDerWaalsContact C-N 3.27Å; D499-K501 PolarHBondContact O-N 3.17Å; K501-I503 PolarHBondContact O-N 3.45Å; K501-K504 PolarHBondContact O-N 3.49Å; K501-E505 PolarHBondContact O-N 3.24Å |
| 502 | N | 72.3 | Confident | 70.3 | Confident | 96 Ų | 96 | 119.1 Ų | 119.1 | 51% | 0.513 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.4 | -40.4 | 176.4 | -74.4 | -17.8 | 0 | 0 | 0 | 112.6 | T498 D499 E505 M506 | T498-N502 PolarHBondContact O-N 3.15Å; D499-N502 PolarHBondContact O-N 3.01Å; N502-E505 PolarHBondContact O-N 3.08Å; N502-M506 WeakPolarHBondContact O-CB 3.34Å; N502-M506 PolarHBondContact O-N 2.9Å |
| 503 | I | 78.8 | Confident | 72.2 | Confident | 110 Ų | 110 | 117.8 Ų | 117.8 | 56% | 0.564 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.2 | -39.8 | 176.8 | -66.5 | 167.1 | 0 | 0 | 0 | 111.4 | D499 K501 T507 | D499-I503 VanDerWaalsContact O-CG1 3.3Å; D499-I503 WeakPolarHBondContact O-CG1 3.19Å; D499-I503 PolarHBondContact O-N 2.84Å; K501-I503 PolarHBondContact O-N 3.45Å; I503-T507 PolarHBondContact O-N 3.47Å; I503-T507 PolarHBondContact O-OG1 2.9Å |
| 504 | K | 81.8 | Confident | 74.4 | Confident | 155 Ų | 155 | 119.4 Ų | 119.4 | 67% | 0.674 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.4 | -38.2 | 175.4 | -78.2 | -179 | 179.5 | -175.7 | 0 | 112.5 | R500 K501 T507 K508 | R500-K504 WeakPolarHBondContact O-CG 3.44Å; R500-K504 PolarHBondContact O-N 3.35Å; K501-K504 PolarHBondContact O-N 3.49Å; K504-T507 WeakPolarHBondContact CA-OG1 3.46Å; K504-T507 PolarHBondContact O-OG1 3.42Å; K504-K508 WeakPolarHBondContact O-CB 3.37Å; K504-K508 PolarHBondContact O-N 3.26Å |
| 505 | E | 80.5 | Confident | 76.3 | Confident | 107 Ų | 107 | 117.2 Ų | 117.2 | 50% | 0.5 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -72.1 | -40.9 | 178.2 | -164 | 158.2 | -178.6 | 0 | 0 | 111.7 | K501 N502 T507 K508 N509 | K501-E505 PolarHBondContact O-N 3.24Å; N502-E505 PolarHBondContact O-N 3.08Å; E505-T507 VanDerWaalsContact C-N 3.34Å; E505-T507 PolarHBondContact O-N 3.11Å; E505-K508 PolarHBondContact O-N 3.42Å; E505-N509 VanDerWaalsContact O-CG 3.29Å; E505-N509 PolarHBondContact O-N 3.15Å |
| 506 | M | 78 | Confident | 78 | Confident | 117 Ų | 117 | 118.9 Ų | 118.9 | 58% | 0.576 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.2 | -36 | 175.8 | -158.4 | -178.8 | 78.4 | 0 | 0 | 112.5 | N502 K510 | N502-M506 WeakPolarHBondContact O-CB 3.34Å; N502-M506 PolarHBondContact O-N 2.9Å; M506-K510 PolarHBondContact O-N 3.05Å; M506-K510 VanDerWaalsContact O-N 3.14Å |
| 507 | T | 83.5 | Confident | 79.5 | Confident | 68 Ų | 68 | 121.5 Ų | 121.5 | 42% | 0.417 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71.7 | -38.4 | 174.4 | 40.4 | 0 | 0 | 0 | 0 | 112.4 | I503 K504 E505 K510 I511 | I503-T507 PolarHBondContact O-N 3.47Å; I503-T507 PolarHBondContact O-OG1 2.9Å; K504-T507 WeakPolarHBondContact CA-OG1 3.46Å; K504-T507 PolarHBondContact O-OG1 3.42Å; E505-T507 VanDerWaalsContact C-N 3.34Å; E505-T507 PolarHBondContact O-N 3.11Å; T507-K510 PolarHBondContact O-N 3.44Å; T507-I511 WeakPolarHBondContact O-CG1 3.37Å; T507-I511 PolarHBondContact O-N 3.31Å; T507-I511 VanDerWaalsContact O-N 3.1Å |
| 508 | K | 86.1 | Confident | 81 | Confident | 139 Ų | 139 | 122 Ų | 122 | 60% | 0.604 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.5 | -47.2 | 173.1 | -171 | -179.2 | 176.5 | -172.5 | 0 | 111.6 | K504 E505 K510 I511 E512 | K504-K508 WeakPolarHBondContact O-CB 3.37Å; K504-K508 PolarHBondContact O-N 3.26Å; E505-K508 PolarHBondContact O-N 3.42Å; K508-K510 VanDerWaalsContact C-N 3.35Å; K508-K510 PolarHBondContact O-N 2.83Å; K508-I511 PolarHBondContact O-N 3.47Å; K508-I511 VanDerWaalsContact O-N 3.15Å; K508-E512 PolarHBondContact O-N 2.99Å |
| 509 | N | 83.3 | Confident | 82.2 | Confident | 90 Ų | 90 | 123.3 Ų | 123.3 | 48% | 0.481 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.2 | -39.9 | 178.5 | -68.3 | -9 | 0 | 0 | 0 | 112.1 | E505 I511 E512 E513 | E505-N509 VanDerWaalsContact O-CG 3.29Å; E505-N509 PolarHBondContact O-N 3.15Å; N509-I511 PolarHBondContact O-N 2.92Å; N509-E512 PolarHBondContact O-N 3Å; N509-E513 WeakPolarHBondContact O-CB 3.43Å; N509-E513 PolarHBondContact O-N 2.92Å |
| 510 | K | 85.1 | Confident | 83.3 | Confident | 117 Ų | 117 | 124.1 Ų | 124.1 | 51% | 0.509 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.2 | -37.2 | 174.1 | -92.8 | -177.1 | 175.5 | 177.8 | 0 | 113.3 | M506 T507 K508 R514 | M506-K510 PolarHBondContact O-N 3.05Å; M506-K510 VanDerWaalsContact O-N 3.14Å; T507-K510 PolarHBondContact O-N 3.44Å; K508-K510 VanDerWaalsContact C-N 3.35Å; K508-K510 PolarHBondContact O-N 2.83Å; K510-R514 WeakPolarHBondContact O-CG 3.42Å; K510-R514 PolarHBondContact O-N 2.8Å |
| 511 | I | 87.5 | Confident | 84.3 | Confident | 94 Ų | 94 | 120.3 Ų | 120.3 | 48% | 0.482 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.7 | -40.8 | 177.5 | -68.6 | 166.2 | 0 | 0 | 0 | 110.4 | T507 K508 N509 R514 K515 | T507-I511 WeakPolarHBondContact O-CG1 3.37Å; T507-I511 PolarHBondContact O-N 3.31Å; T507-I511 VanDerWaalsContact O-N 3.1Å; K508-I511 PolarHBondContact O-N 3.47Å; K508-I511 VanDerWaalsContact O-N 3.15Å; N509-I511 PolarHBondContact O-N 2.92Å; I511-R514 PolarHBondContact O-N 3.26Å; I511-K515 PolarHBondContact O-N 3.35Å |
| 512 | E | 86.5 | Confident | 85.1 | Confident | 117 Ų | 117 | 117.7 Ų | 117.7 | 55% | 0.547 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.3 | -41.4 | 178.6 | -161.2 | 157.9 | -160.1 | 0 | 0 | 112 | K508 N509 R514 K515 Y516 | K508-E512 PolarHBondContact O-N 2.99Å; N509-E512 PolarHBondContact O-N 3Å; E512-R514 VanDerWaalsContact C-N 3.33Å; E512-R514 PolarHBondContact O-N 3.03Å; E512-K515 WeakPolarHBondContact O-CB 3.45Å; E512-K515 PolarHBondContact O-N 2.97Å; E512-Y516 PolarHBondContact O-N 3.1Å |
| 513 | E | 85.5 | Confident | 85.8 | Confident | 102 Ų | 102 | 115.5 Ų | 115.5 | 48% | 0.477 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.9 | -40.7 | 172.7 | -166.7 | -167.3 | 154.6 | 0 | 0 | 112.1 | N509 Y516 K517 | N509-E513 WeakPolarHBondContact O-CB 3.43Å; N509-E513 PolarHBondContact O-N 2.92Å; E513-Y516 PolarHBondContact O-N 2.93Å; E513-K517 WeakPolarHBondContact O-CB 3.49Å; E513-K517 PolarHBondContact O-N 3.31Å; E513-K517 WeakPolarHBondContact OE1-CE 3.45Å; E513-K517 IonicContact OE1-NZ 2.72Å; E513-K517 PolarHBondContact OE1-NZ 2.87Å |
| 514 | R | 87.7 | Confident | 86.2 | Confident | 184 Ų | 184 | 114.6 Ų | 114.6 | 69% | 0.694 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.3 | -38.3 | 175.5 | -76.6 | 177.1 | 177.9 | 173.7 | -1.5 | 112.4 | K510 I511 E512 K518 | K510-R514 WeakPolarHBondContact O-CG 3.42Å; K510-R514 PolarHBondContact O-N 2.8Å; I511-R514 PolarHBondContact O-N 3.26Å; E512-R514 VanDerWaalsContact C-N 3.33Å; E512-R514 PolarHBondContact O-N 3.03Å; R514-K518 WeakPolarHBondContact O-CB 3.47Å; R514-K518 PolarHBondContact O-N 3.19Å |
| 515 | K | 89.4 | Confident | 86.5 | Confident | 148 Ų | 148 | 112.4 Ų | 112.4 | 64% | 0.643 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.8 | -45.2 | 174.7 | -74.3 | -179.3 | 179.3 | -177.3 | 0 | 111.3 | I511 E512 K518 H519 | I511-K515 PolarHBondContact O-N 3.35Å; E512-K515 WeakPolarHBondContact O-CB 3.45Å; E512-K515 PolarHBondContact O-N 2.97Å; K515-K518 PolarHBondContact O-N 3.37Å; K515-H519 PolarHBondContact O-N 3.13Å |
| 516 | Y | 84.5 | Confident | 86.7 | Confident | 163 Ų | 163 | 111.6 Ų | 111.6 | 64% | 0.639 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.7 | -45.6 | 178.3 | -171 | -94.6 | 0 | 0 | 0 | 112.1 | E512 E513 K518 H519 L520 | E512-Y516 PolarHBondContact O-N 3.1Å; E513-Y516 PolarHBondContact O-N 2.93Å; Y516-K518 PolarHBondContact O-N 3.36Å; Y516-H519 PolarHBondContact O-N 2.91Å; Y516-L520 WeakPolarHBondContact O-CB 3.2Å; Y516-L520 PolarHBondContact O-N 2.94Å |
| 517 | K | 89.3 | Confident | 87 | Confident | 113 Ų | 113 | 110.3 Ų | 110.3 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 175.2 | -82.4 | 175.1 | 170.4 | 164.1 | 0 | 112.5 | E513 L520 I521 | E513-K517 WeakPolarHBondContact O-CB 3.49Å; E513-K517 PolarHBondContact O-N 3.31Å; E513-K517 WeakPolarHBondContact OE1-CE 3.45Å; E513-K517 IonicContact OE1-NZ 2.72Å; E513-K517 PolarHBondContact OE1-NZ 2.87Å; K517-L520 PolarHBondContact O-N 2.89Å; K517-I521 VanDerWaalsContact O-CG1 3.31Å; K517-I521 WeakPolarHBondContact O-CG1 3.41Å; K517-I521 PolarHBondContact O-N 3.18Å |
| 518 | K | 91 | Very high | 86.9 | Confident | 154 Ų | 154 | 111.5 Ų | 111.5 | 67% | 0.67 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.7 | -43 | 176.4 | -172.9 | 179.6 | 178.2 | -177.5 | 0 | 111.8 | R514 K515 Y516 Q522 | R514-K518 WeakPolarHBondContact O-CB 3.47Å; R514-K518 PolarHBondContact O-N 3.19Å; K515-K518 PolarHBondContact O-N 3.37Å; Y516-K518 PolarHBondContact O-N 3.36Å; K518-Q522 PolarHBondContact O-N 2.73Å; K518-Q522 VanDerWaalsContact O-N 3.1Å |
| 519 | H | 89.2 | Confident | 86.8 | Confident | 119 Ų | 119 | 111.3 Ų | 111.3 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.3 | -44.4 | 177.6 | -173 | 60.3 | 0 | 0 | 0 | 111.9 | K515 Y516 I521 Q522 T523 | K515-H519 PolarHBondContact O-N 3.13Å; Y516-H519 PolarHBondContact O-N 2.91Å; H519-I521 PolarHBondContact O-N 3.11Å; H519-Q522 WeakPolarHBondContact O-CB 3.18Å; H519-Q522 PolarHBondContact O-N 3.42Å; H519-T523 PolarHBondContact O-N 3.47Å; H519-T523 PolarHBondContact O-OG1 3.18Å; H519-T523 VanDerWaalsContact O-OG1 3.09Å |
| 520 | L | 87.8 | Confident | 86.7 | Confident | 84 Ų | 84 | 113.8 Ų | 113.8 | 44% | 0.44 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 177.5 | -176.1 | 66.2 | 0 | 0 | 0 | 112.3 | Y516 K517 Q522 T523 L524 | Y516-L520 WeakPolarHBondContact O-CB 3.2Å; Y516-L520 PolarHBondContact O-N 2.94Å; K517-L520 PolarHBondContact O-N 2.89Å; L520-Q522 VanDerWaalsContact C-N 3.3Å; L520-Q522 PolarHBondContact O-N 3Å; L520-T523 PolarHBondContact O-N 3.28Å; L520-L524 HydrophobicContact CG-CD1 4.35Å; L520-L524 WeakPolarHBondContact O-CG 3.4Å; L520-L524 PolarHBondContact O-N 2.86Å |
| 521 | I | 89.2 | Confident | 86.2 | Confident | 98 Ų | 98 | 112.9 Ų | 112.9 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 176.2 | -68.7 | 167.2 | 0 | 0 | 0 | 110.6 | K517 H519 L524 Q525 | K517-I521 VanDerWaalsContact O-CG1 3.31Å; K517-I521 WeakPolarHBondContact O-CG1 3.41Å; K517-I521 PolarHBondContact O-N 3.18Å; H519-I521 PolarHBondContact O-N 3.11Å; I521-L524 PolarHBondContact O-N 2.98Å; I521-Q525 WeakPolarHBondContact O-CG 3.42Å; I521-Q525 PolarHBondContact O-N 2.82Å; I521-Q525 VanDerWaalsContact O-N 3.08Å |
| 522 | Q | 89.2 | Confident | 85.4 | Confident | 96 Ų | 96 | 114.3 Ų | 114.3 | 45% | 0.449 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 177.4 | -172.8 | 174.2 | -9.6 | 0 | 0 | 112.2 | K518 H519 L520 Q525 E526 | K518-Q522 PolarHBondContact O-N 2.73Å; K518-Q522 VanDerWaalsContact O-N 3.1Å; H519-Q522 WeakPolarHBondContact O-CB 3.18Å; H519-Q522 PolarHBondContact O-N 3.42Å; L520-Q522 VanDerWaalsContact C-N 3.3Å; L520-Q522 PolarHBondContact O-N 3Å; Q522-Q525 PolarHBondContact O-N 3.2Å; Q522-E526 WeakPolarHBondContact O-CG 3.39Å; Q522-E526 PolarHBondContact O-N 3.46Å |
| 523 | T | 87.3 | Confident | 84.6 | Confident | 51 Ų | 51 | 114.7 Ų | 114.7 | 31% | 0.313 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | 176.6 | -54.5 | 0 | 0 | 0 | 0 | 112.2 | H519 L520 E526 I527 | H519-T523 PolarHBondContact O-N 3.47Å; H519-T523 PolarHBondContact O-OG1 3.18Å; H519-T523 VanDerWaalsContact O-OG1 3.09Å; L520-T523 PolarHBondContact O-N 3.28Å; T523-E526 PolarHBondContact O-N 2.95Å; T523-I527 HydrophobicContact CG2-CD1 4.22Å; T523-I527 WeakPolarHBondContact O-CG1 3.4Å; T523-I527 PolarHBondContact O-N 3.08Å |
| 524 | L | 87.6 | Confident | 83.3 | Confident | 91 Ų | 91 | 116.5 Ų | 116.5 | 48% | 0.476 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 176.3 | -70.4 | 171.7 | 0 | 0 | 0 | 111.3 | L520 I521 E526 I527 D528 | L520-L524 HydrophobicContact CG-CD1 4.35Å; L520-L524 WeakPolarHBondContact O-CG 3.4Å; L520-L524 PolarHBondContact O-N 2.86Å; I521-L524 PolarHBondContact O-N 2.98Å; L524-E526 VanDerWaalsContact C-N 3.29Å; L524-E526 PolarHBondContact O-N 2.81Å; L524-I527 PolarHBondContact O-N 2.87Å; L524-D528 PolarHBondContact O-N 3.46Å |
| 525 | Q | 87.3 | Confident | 81.8 | Confident | 108 Ų | 108 | 114.7 Ų | 114.7 | 51% | 0.505 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.8 | -31.7 | 174.6 | -72.6 | 178 | -10.8 | 0 | 0 | 113.4 | I521 Q522 K529 | I521-Q525 WeakPolarHBondContact O-CG 3.42Å; I521-Q525 PolarHBondContact O-N 2.82Å; I521-Q525 VanDerWaalsContact O-N 3.08Å; Q522-Q525 PolarHBondContact O-N 3.2Å; Q525-K529 VanDerWaalsContact O-CG 3.26Å; Q525-K529 WeakPolarHBondContact O-CG 3.27Å; Q525-K529 PolarHBondContact O-N 2.89Å |
| 526 | E | 86.2 | Confident | 79.9 | Confident | 90 Ų | 90 | 115.9 Ų | 115.9 | 42% | 0.421 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -73.6 | -34 | 175 | -74.9 | 177.3 | -164.5 | 0 | 0 | 112.9 | Q522 T523 L524 K530 | Q522-E526 WeakPolarHBondContact O-CG 3.39Å; Q522-E526 PolarHBondContact O-N 3.46Å; T523-E526 PolarHBondContact O-N 2.95Å; L524-E526 VanDerWaalsContact C-N 3.29Å; L524-E526 PolarHBondContact O-N 2.81Å; E526-K530 WeakPolarHBondContact O-CG 3.39Å; E526-K530 PolarHBondContact O-N 2.65Å; E526-K530 VanDerWaalsContact O-N 3.14Å |
| 527 | I | 83.9 | Confident | 78.2 | Confident | 90 Ų | 90 | 118.5 Ų | 118.5 | 46% | 0.462 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.9 | -47.9 | 175.3 | -68.3 | 166.9 | 0 | 0 | 0 | 110 | T523 L524 K529 K530 E531 | T523-I527 HydrophobicContact CG2-CD1 4.22Å; T523-I527 WeakPolarHBondContact O-CG1 3.4Å; T523-I527 PolarHBondContact O-N 3.08Å; L524-I527 PolarHBondContact O-N 2.87Å; I527-K529 VanDerWaalsContact C-N 3.29Å; I527-K529 PolarHBondContact O-N 2.97Å; I527-K530 PolarHBondContact O-N 3.45Å; I527-E531 PolarHBondContact O-N 2.96Å |
| 528 | D | 82.1 | Confident | 76.3 | Confident | 94 Ų | 94 | 120.6 Ų | 120.6 | 50% | 0.503 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.3 | -40.7 | 178.5 | -70.9 | -16.1 | 0 | 0 | 0 | 111.5 | L524 K530 E531 I532 | L524-D528 PolarHBondContact O-N 3.46Å; D528-K530 PolarHBondContact O-N 3.39Å; D528-E531 PolarHBondContact O-N 3.04Å; D528-I532 WeakPolarHBondContact O-CD1 3.32Å; D528-I532 VanDerWaalsContact O-CG1 3.26Å; D528-I532 WeakPolarHBondContact O-CG1 3.5Å; D528-I532 PolarHBondContact O-N 3Å |
| 529 | K | 83.3 | Confident | 74.2 | Confident | 134 Ų | 134 | 120.7 Ų | 120.7 | 58% | 0.583 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63 | -38.6 | 174.9 | -74.9 | 173.1 | -175.8 | 177.8 | 0 | 112.8 | Q525 I527 N533 | Q525-K529 VanDerWaalsContact O-CG 3.26Å; Q525-K529 WeakPolarHBondContact O-CG 3.27Å; Q525-K529 PolarHBondContact O-N 2.89Å; I527-K529 VanDerWaalsContact C-N 3.29Å; I527-K529 PolarHBondContact O-N 2.97Å; K529-N533 PolarHBondContact O-N 2.99Å |
| 530 | K | 81.8 | Confident | 71.9 | Confident | 143 Ų | 143 | 120.6 Ų | 120.6 | 62% | 0.622 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.9 | -35.4 | 177.6 | -74.9 | 176.6 | -178.7 | 175.3 | 0 | 111.9 | E526 I527 D528 N533 N534 | E526-K530 WeakPolarHBondContact O-CG 3.39Å; E526-K530 PolarHBondContact O-N 2.65Å; E526-K530 VanDerWaalsContact O-N 3.14Å; I527-K530 PolarHBondContact O-N 3.45Å; D528-K530 PolarHBondContact O-N 3.39Å; K530-N533 PolarHBondContact O-N 3.28Å; K530-N534 PolarHBondContact O-N 3.27Å; K530-N534 VanDerWaalsContact O-N 3.14Å |
| 531 | E | 72.9 | Confident | 69.8 | Low | 98 Ų | 98 | 124.3 Ų | 124.3 | 46% | 0.458 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70.1 | -37 | 177.8 | -155.2 | -174.7 | 147.3 | 0 | 0 | 111.9 | I527 D528 N533 N534 K535 | I527-E531 PolarHBondContact O-N 2.96Å; D528-E531 PolarHBondContact O-N 3.04Å; E531-N533 VanDerWaalsContact C-N 3.34Å; E531-N533 PolarHBondContact O-N 3.16Å; E531-N534 PolarHBondContact O-N 3.24Å; E531-K535 WeakPolarHBondContact O-CG 3.47Å; E531-K535 PolarHBondContact O-N 2.86Å; E531-K535 WeakPolarHBondContact OE1-CE 3.34Å; E531-K535 IonicContact OE1-NZ 2.75Å; E531-K535 PolarHBondContact OE1-NZ 3.38Å |
| 532 | I | 72.6 | Confident | 67.6 | Low | 124 Ų | 124 | 124.3 Ų | 124.3 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.7 | -39.6 | 173.4 | -66.7 | 164.6 | 0 | 0 | 0 | 111.1 | D528 | D528-I532 WeakPolarHBondContact O-CD1 3.32Å; D528-I532 VanDerWaalsContact O-CG1 3.26Å; D528-I532 WeakPolarHBondContact O-CG1 3.5Å; D528-I532 PolarHBondContact O-N 3Å |
| 533 | N | 68.6 | Low | 65.4 | Low | 124 Ų | 124 | 124.7 Ų | 124.7 | 66% | 0.663 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -74 | -24.3 | 179.8 | -72.5 | -13.4 | 0 | 0 | 0 | 113.9 | K529 K530 E531 | K529-N533 PolarHBondContact O-N 2.99Å; K530-N533 PolarHBondContact O-N 3.28Å; E531-N533 VanDerWaalsContact C-N 3.34Å; E531-N533 PolarHBondContact O-N 3.16Å |
| 534 | N | 58.6 | Low | 63.1 | Low | 140 Ų | 140 | 131.9 Ų | 131.9 | 75% | 0.749 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -87.5 | -11.5 | 179.4 | -94 | 0.4 | 0 | 0 | 0 | 114.5 | K530 E531 H536 | K530-N534 PolarHBondContact O-N 3.27Å; K530-N534 VanDerWaalsContact O-N 3.14Å; E531-N534 PolarHBondContact O-N 3.24Å; N534-H536 PolarHBondContact O-N 3.23Å |
| 535 | K | 55.6 | Low | 60.8 | Low | 147 Ų | 147 | 132.1 Ų | 132.1 | 64% | 0.639 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 11.7 | 179.4 | -76.2 | 178.9 | -178.3 | 166.8 | 0 | 114.6 | E531 | E531-K535 WeakPolarHBondContact O-CG 3.47Å; E531-K535 PolarHBondContact O-N 2.86Å; E531-K535 WeakPolarHBondContact OE1-CE 3.34Å; E531-K535 IonicContact OE1-NZ 2.75Å; E531-K535 PolarHBondContact OE1-NZ 3.38Å |
| 536 | H | 49.9 | Very low | 58.6 | Low | 172 Ų | 172 | 133.9 Ų | 133.9 | 80% | 0.796 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 9.9 | -177.2 | -132.9 | -41 | 0 | 0 | 0 | 115.7 | N534 | N534-H536 PolarHBondContact O-N 3.23Š|
| 537 | Y | 48.8 | Very low | 56.4 | Low | 218 Ų | 218 | 137.3 Ų | 137.3 | 86% | 0.855 | 71% | 0.709 | S | S | * | * | trans | -124.7 | 74.4 | 174.8 | -84.5 | -84.8 | 0 | 0 | 0 | 111.7 | ||||
| 538 | D | 48.9 | Very low | 54.4 | Low | 158 Ų | 158 | 140.6 Ų | 140.6 | 85% | 0.845 | 73% | 0.726 | S | S | * | * | trans | -135 | 97.4 | 160.2 | -85.2 | -38.8 | 0 | 0 | 0 | 108.5 | ||||
| 539 | N | 47.2 | Very low | 52.5 | Low | 156 Ų | 156 | 144.1 Ų | 144.1 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | trans | -95 | 127 | 167 | -113.2 | -8 | 0 | 0 | 0 | 108.1 | ||||
| 540 | P | 40.9 | Very low | 50.6 | Low | 117 Ų | 117 | 144.8 Ų | 144.8 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | trans | -91.6 | 114.2 | 176 | 33.4 | -26.7 | 0 | 0 | 0 | 109.6 | ||||
| 541 | I | 45 | Very low | 48.8 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | -112.6 | 95.9 | 165.4 | -60.6 | 178.8 | 0 | 0 | 0 | 108.5 | ||||
| 542 | S | 41.2 | Very low | 47.6 | Very low | 99 Ų | 99 | 146.9 Ų | 146.9 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | -80.5 | 152.5 | 160.1 | 169.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 543 | S | 43.3 | Very low | 46.2 | Very low | 104 Ų | 104 | 147.6 Ų | 147.6 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 88 | 96.8 | 163 | -48.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 544 | Q | 40 | Very low | 44.7 | Very low | 201 Ų | 201 | 149 Ų | 149 | 94% | 0.939 | 79% | 0.788 | S | S | * | * | -174.4 | 106.8 | 118.9 | -100.8 | 177.4 | 6.1 | 0 | 0 | 111.3 | |||||
| 545 | S | 38.3 | Very low | 44 | Very low | 96 Ų | 96 | 147.3 Ų | 147.3 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | trans | -81.6 | 149.1 | 160.3 | 51.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 546 | N | 41 | Very low | 43.2 | Very low | 145 Ų | 145 | 146.2 Ų | 146.2 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | 86.9 | 103.1 | 163.2 | -51.3 | -28.4 | 0 | 0 | 0 | 117 | ||||
| 547 | L | 41.5 | Very low | 42.9 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -176.1 | 101.2 | 133.7 | -114.6 | 87.6 | 0 | 0 | 0 | 106.6 | ||||
| 548 | L | 40.8 | Very low | 42.5 | Very low | 158 Ų | 158 | 146 Ų | 146 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | 76.8 | 119.4 | 96.1 | -98.4 | 147.2 | 0 | 0 | 0 | 115.5 | |||||
| 549 | H | 41.5 | Very low | 42.2 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | trans | -23.4 | 132.3 | 163.7 | -87.2 | -63.7 | 0 | 0 | 0 | 117.2 | ||||
| 550 | N | 43.8 | Very low | 42.1 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | -169.3 | 135.7 | 126.3 | -95 | -23.9 | 0 | 0 | 0 | 110.8 | |||||
| 551 | P | 43.4 | Very low | 42.6 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 121.4 | 170.5 | 33.3 | -25.5 | 0 | 0 | 0 | 109.6 | ||
| 552 | I | 47.8 | Very low | 43.7 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 127.6 | 173.6 | -66.6 | 177.1 | 0 | 0 | 0 | 109.6 | ||
| 553 | N | 43.2 | Very low | 45.6 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -66 | 140.2 | 176.5 | -77.1 | -37.3 | 0 | 0 | 0 | 113.6 | ||
| 554 | N | 37.8 | Very low | 47.1 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | trans | 34.3 | 110.9 | 140.4 | -65.1 | -14.9 | 0 | 0 | 0 | 120.1 | ||||
| 555 | S | 44.8 | Very low | 48.9 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | trans | -142.9 | 102.5 | 135.6 | 70.9 | 0 | 0 | 0 | 0 | 111.3 | Y557 | S555-Y557 PolarHBondContact O-N 3.33Š| ||
| 556 | V | 38.8 | Very low | 50.6 | Low | 124 Ų | 124 | 140.7 Ų | 140.7 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | trans | 18.8 | 100.1 | 138.7 | -171.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 557 | Y | 43 | Very low | 52.4 | Low | 215 Ų | 215 | 138.7 Ų | 138.7 | 84% | 0.843 | 72% | 0.721 | S | S | * | * | trans | -132.6 | 98.4 | 146.3 | -97 | -84.5 | 0 | 0 | 0 | 108.1 | S555 N559 | S555-Y557 PolarHBondContact O-N 3.33Å; Y557-N559 VanDerWaalsContact C-N 3.33Å; Y557-N559 PolarHBondContact O-N 3.28Å; Y557-N559 VanDerWaalsContact O-N 3.08Å | ||
| 558 | H | 41.2 | Very low | 54.3 | Low | 172 Ų | 172 | 135.3 Ų | 135.3 | 80% | 0.796 | 70% | 0.704 | S | S | * | * | trans | -72.3 | 91.4 | 163.7 | -88.6 | -72 | 0 | 0 | 0 | 108.4 | ||||
| 559 | N | 42 | Very low | 56.1 | Low | 148 Ų | 148 | 133.1 Ų | 133.1 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | trans | -129.9 | 95.1 | 156.9 | -117.3 | -8.7 | 0 | 0 | 0 | 106.6 | Y557 G561 | Y557-N559 VanDerWaalsContact C-N 3.33Å; Y557-N559 PolarHBondContact O-N 3.28Å; Y557-N559 VanDerWaalsContact O-N 3.08Å; N559-G561 PolarHBondContact O-N 3.42Å | ||
| 560 | T | 45.1 | Very low | 58 | Low | 133 Ų | 133 | 126.8 Ų | 126.8 | 82% | 0.816 | 66% | 0.656 | S | S | * | * | trans | -74.3 | 66.9 | 175.7 | 52.5 | 0 | 0 | 0 | 0 | 109.5 | K562 | T560-K562 PolarHBondContact O-N 3.43Š| ||
| 561 | G | 52 | Low | 59.6 | Low | 61 Ų | 61 | 125.7 Ų | 125.7 | 63% | 0.629 | 65% | 0.651 | S | S | * | * | trans | -72.9 | 109.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107 | N559 T563 | N559-G561 PolarHBondContact O-N 3.42Å; G561-T563 PolarHBondContact O-N 3.45Å; G561-T563 VanDerWaalsContact O-N 3.15Å | ||
| 562 | K | 67.6 | Low | 61.4 | Low | 125 Ų | 125 | 124.3 Ų | 124.3 | 54% | 0.543 | 64% | 0.636 | S | S | . | * | trans | -53.3 | 125 | 170.6 | -67.1 | 177.2 | -177.7 | 175.8 | 0 | 106.8 | T560 E566 E567 | T560-K562 PolarHBondContact O-N 3.43Å; K562-E566 HydrophobicContact CB-CB 4.37Å; K562-E567 HydrophobicContact CB-CG 3.71Å; K562-E567 HydrophobicContact CD-CG 4.08Å | ||
| 563 | T | 80.8 | Confident | 62.8 | Low | 84 Ų | 84 | 122.5 Ų | 122.5 | 52% | 0.515 | 62% | 0.623 | S | S | . | * | trans | -61.3 | 148.3 | 169.9 | 58.1 | 0 | 0 | 0 | 0 | 107.6 | G561 E565 E566 E567 | G561-T563 PolarHBondContact O-N 3.45Å; G561-T563 VanDerWaalsContact O-N 3.15Å; T563-E565 CarbonylContact O-C 3.59Å; T563-E565 PolarHBondContact O-N 3.3Å; T563-E566 CarbonylContact O-C 3.5Å; T563-E566 WeakPolarHBondContact O-CA 3.35Å; T563-E566 WeakPolarHBondContact O-CB 3.45Å; T563-E566 PolarHBondContact O-N 3.31Å; T563-E566 WeakPolarHBondContact OG1-CB 3.25Å; T563-E566 PolarHBondContact OG1-N 2.9Å; T563-E567 PolarHBondContact O-N 2.97Å | ||
| 564 | R | 75.7 | Confident | 64.5 | Low | 205 Ų | 205 | 117.9 Ų | 117.9 | 77% | 0.774 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -51.2 | -29.8 | 172.1 | -178.9 | 175.5 | 175.1 | -153.8 | 0 | 111.7 | L568 | R564-L568 HydrophobicContact CG-CD1 4.28Å; R564-L568 WeakPolarHBondContact O-CB 3.41Å; R564-L568 WeakPolarHBondContact O-CD1 3.48Å; R564-L568 WeakPolarHBondContact O-CG 3.32Å; R564-L568 PolarHBondContact O-N 3.31Å |
| 565 | E | 76.3 | Confident | 66.4 | Low | 132 Ų | 132 | 112.6 Ų | 112.6 | 62% | 0.617 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.9 | -48.6 | 170.9 | -173.3 | 164.8 | -166.4 | 0 | 0 | 112 | T563 E567 L568 W569 | T563-E565 CarbonylContact O-C 3.59Å; T563-E565 PolarHBondContact O-N 3.3Å; E565-E567 PolarHBondContact O-N 2.97Å; E565-L568 PolarHBondContact O-N 3.33Å; E565-W569 WeakPolarHBondContact O-CB 3.48Å; E565-W569 PolarHBondContact O-N 3.04Å |
| 566 | E | 75.5 | Confident | 67.2 | Low | 91 Ų | 91 | 114.8 Ų | 114.8 | 43% | 0.425 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.5 | -35.1 | 175.7 | -161.8 | 176.4 | -168.3 | 0 | 0 | 113.3 | K562 T563 W569 N570 | K562-E566 HydrophobicContact CB-CB 4.37Å; T563-E566 CarbonylContact O-C 3.5Å; T563-E566 WeakPolarHBondContact O-CA 3.35Å; T563-E566 WeakPolarHBondContact O-CB 3.45Å; T563-E566 PolarHBondContact O-N 3.31Å; T563-E566 WeakPolarHBondContact OG1-CB 3.25Å; T563-E566 PolarHBondContact OG1-N 2.9Å; E566-W569 PolarHBondContact O-N 2.87Å; E566-N570 WeakPolarHBondContact O-CB 3.47Å; E566-N570 VanDerWaalsContact O-CG 3.24Å; E566-N570 PolarHBondContact O-N 3.11Å; E566-N570 PolarHBondContact O-ND2 3.07Å |
| 567 | E | 78.2 | Confident | 68.5 | Low | 103 Ų | 103 | 117 Ų | 117 | 48% | 0.481 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.9 | -49.1 | 170.3 | -69.3 | -174.4 | 158.6 | 0 | 0 | 111.6 | K562 T563 E565 W569 N570 D571 | K562-E567 HydrophobicContact CB-CG 3.71Å; K562-E567 HydrophobicContact CD-CG 4.08Å; T563-E567 PolarHBondContact O-N 2.97Å; E565-E567 PolarHBondContact O-N 2.97Å; E567-W569 PolarHBondContact O-N 3.47Å; E567-N570 PolarHBondContact O-N 3.01Å; E567-D571 WeakPolarHBondContact O-CB 3.23Å; E567-D571 PolarHBondContact O-N 3.03Å |
| 568 | L | 81.7 | Confident | 69.1 | Low | 93 Ų | 93 | 112.7 Ų | 112.7 | 49% | 0.487 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.2 | -34.3 | 175.8 | -73.8 | 169.2 | 0 | 0 | 0 | 112.2 | R564 E565 L572 | R564-L568 HydrophobicContact CG-CD1 4.28Å; R564-L568 WeakPolarHBondContact O-CB 3.41Å; R564-L568 WeakPolarHBondContact O-CD1 3.48Å; R564-L568 WeakPolarHBondContact O-CG 3.32Å; R564-L568 PolarHBondContact O-N 3.31Å; E565-L568 PolarHBondContact O-N 3.33Å; L568-L572 WeakPolarHBondContact O-CB 3.39Å; L568-L572 PolarHBondContact O-N 3.14Å |
| 569 | W | 77.2 | Confident | 69.8 | Low | 112 Ų | 112 | 113.7 Ų | 113.7 | 42% | 0.424 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.2 | -47.6 | 173.7 | -90.3 | 104.8 | 0 | 0 | 0 | 111.9 | M143 E565 E566 E567 D571 L572 F573 | M143-W569 HydrophobicContact CE-CH2 4.14Å; M143-W569 HydrophobicContact CE-CZ2 4.2Å; M143-W569 HydrophobicContact SD-CH2 3.75Å; M143-W569 HydrophobicContact SD-CZ2 4.3Å; E565-W569 WeakPolarHBondContact O-CB 3.48Å; E565-W569 PolarHBondContact O-N 3.04Å; E566-W569 PolarHBondContact O-N 2.87Å; E567-W569 PolarHBondContact O-N 3.47Å; W569-D571 VanDerWaalsContact C-N 3.32Å; W569-D571 PolarHBondContact O-N 3.32Å; W569-L572 PolarHBondContact O-N 2.93Å; W569-F573 HydrophobicContact CD2-CD2 4.24Å; W569-F573 HydrophobicContact CD2-CE2 4.24Å; W569-F573 AromaticContact CE3-CD2 3.22Å; W569-F573 HydrophobicContact CE3-CD2 3.22Å; W569-F573 AromaticContact CE3-CE2 3.37Å; W569-F573 HydrophobicContact CE3-CE2 3.37Å; W569-F573 HydrophobicContact CE3-CG 4.31Å; W569-F573 AromaticContact CH2-CE2 3.99Å; W569-F573 HydrophobicContact CH2-CE2 3.99Å; W569-F573 AromaticContact CZ3-CD2 3.43Å; W569-F573 HydrophobicContact CZ3-CD2 3.43Å; W569-F573 VanDerWaalsContact CZ3-CD2 3.43Å; W569-F573 AromaticContact CZ3-CE2 3.2Å; W569-F573 HydrophobicContact CZ3-CE2 3.2Å; W569-F573 HydrophobicContact CZ3-CG 4.37Å; W569-F573 HydrophobicContact CZ3-CZ 4.04Å; W569-F573 WeakPolarHBondContact O-CD2 3.3Å; W569-F573 PolarHBondContact O-N 3.33Å |
| 570 | N | 82.1 | Confident | 70.5 | Confident | 35 Ų | 35 | 112.2 Ų | 112.2 | 19% | 0.187 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -63.9 | -37.4 | 176.9 | -70.6 | -41.9 | 0 | 0 | 0 | 111.6 | E566 E567 G574 | E566-N570 WeakPolarHBondContact O-CB 3.47Å; E566-N570 VanDerWaalsContact O-CG 3.24Å; E566-N570 PolarHBondContact O-N 3.11Å; E566-N570 PolarHBondContact O-ND2 3.07Å; E567-N570 PolarHBondContact O-N 3.01Å; N570-G574 CarbonylContact O-C 3.58Å; N570-G574 WeakPolarHBondContact O-CA 3.37Å; N570-G574 PolarHBondContact O-N 2.87Å |
| 571 | D | 78.3 | Confident | 70.8 | Confident | 125 Ų | 125 | 112.8 Ų | 112.8 | 67% | 0.668 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.1 | -30.2 | 175.5 | -81.9 | 0.9 | 0 | 0 | 0 | 113.6 | K289 E567 W569 | K289-D571 PolarHBondContact NZ-O 3.07Å; K289-D571 VanDerWaalsContact NZ-O 3.08Å; E567-D571 WeakPolarHBondContact O-CB 3.23Å; E567-D571 PolarHBondContact O-N 3.03Å; W569-D571 VanDerWaalsContact C-N 3.32Å; W569-D571 PolarHBondContact O-N 3.32Å |
| 572 | L | 80.3 | Confident | 70.6 | Confident | 90 Ų | 90 | 118.6 Ų | 118.6 | 47% | 0.471 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -79.5 | -36.9 | 176.5 | -109.1 | 76.4 | 0 | 0 | 0 | 113.2 | K289 L568 W569 | K289-L572 VanDerWaalsContact CE-CG 3.42Å; L568-L572 WeakPolarHBondContact O-CB 3.39Å; L568-L572 PolarHBondContact O-N 3.14Å; W569-L572 PolarHBondContact O-N 2.93Å |
| 573 | F | 77.6 | Confident | 69.6 | Low | 128 Ų | 128 | 119.2 Ų | 119.2 | 56% | 0.561 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -127.7 | -0.4 | -163.4 | -58.3 | -72 | 0 | 0 | 0 | 114.9 | W569 | W569-F573 HydrophobicContact CD2-CD2 4.24Å; W569-F573 HydrophobicContact CD2-CE2 4.24Å; W569-F573 AromaticContact CE3-CD2 3.22Å; W569-F573 HydrophobicContact CE3-CD2 3.22Å; W569-F573 AromaticContact CE3-CE2 3.37Å; W569-F573 HydrophobicContact CE3-CE2 3.37Å; W569-F573 HydrophobicContact CE3-CG 4.31Å; W569-F573 AromaticContact CH2-CE2 3.99Å; W569-F573 HydrophobicContact CH2-CE2 3.99Å; W569-F573 AromaticContact CZ3-CD2 3.43Å; W569-F573 HydrophobicContact CZ3-CD2 3.43Å; W569-F573 VanDerWaalsContact CZ3-CD2 3.43Å; W569-F573 AromaticContact CZ3-CE2 3.2Å; W569-F573 HydrophobicContact CZ3-CE2 3.2Å; W569-F573 HydrophobicContact CZ3-CG 4.37Å; W569-F573 HydrophobicContact CZ3-CZ 4.04Å; W569-F573 WeakPolarHBondContact O-CD2 3.3Å; W569-F573 PolarHBondContact O-N 3.33Å |
| 574 | G | 78.6 | Confident | 67.7 | Low | 42 Ų | 42 | 120.5 Ų | 120.5 | 43% | 0.433 | 61% | 0.61 | S | S | . | * | trans | 78.7 | 148.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N570 I576 | N570-G574 CarbonylContact O-C 3.58Å; N570-G574 WeakPolarHBondContact O-CA 3.37Å; N570-G574 PolarHBondContact O-N 2.87Å; G574-I576 PolarHBondContact O-N 3.29Å | ||
| 575 | S | 76.9 | Confident | 66 | Low | 44 Ų | 44 | 119.5 Ų | 119.5 | 31% | 0.308 | 61% | 0.614 | S | S | . | * | trans | -57.8 | 122.1 | 174.3 | 174.5 | 0 | 0 | 0 | 0 | 110.2 | K577 D578 | S575-K577 PolarHBondContact O-N 2.97Å; S575-K577 PolarHBondContact OG-N 3.19Å; S575-D578 WeakPolarHBondContact CB-OD2 3.48Å; S575-D578 PolarHBondContact OG-OD2 3.45Å | ||
| 576 | I | 63.1 | Low | 64.5 | Low | 148 Ų | 148 | 119.4 Ų | 119.4 | 76% | 0.759 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -19.8 | 176.9 | -66.5 | 172.7 | 0 | 0 | 0 | 111.1 | G574 | G574-I576 PolarHBondContact O-N 3.29Š|
| 577 | K | 65.1 | Low | 62.9 | Low | 172 Ų | 172 | 122 Ų | 122 | 75% | 0.748 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -11.3 | -173.9 | -71.4 | -173.8 | 176.2 | 179.6 | 0 | 115 | S575 K579 | S575-K577 PolarHBondContact O-N 2.97Å; S575-K577 PolarHBondContact OG-N 3.19Å; K577-K579 PolarHBondContact O-N 2.93Å |
| 578 | D | 55.8 | Low | 61.3 | Low | 123 Ų | 123 | 125.3 Ų | 125.3 | 66% | 0.658 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 21.5 | -168.7 | -60.7 | -16.1 | 0 | 0 | 0 | 114.4 | S575 | S575-D578 WeakPolarHBondContact CB-OD2 3.48Å; S575-D578 PolarHBondContact OG-OD2 3.45Å |
| 579 | K | 55.6 | Low | 59 | Low | 193 Ų | 193 | 130 Ų | 130 | 84% | 0.839 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.6 | 11.8 | -179.8 | -69.7 | -158.4 | 176.3 | -161.4 | 0 | 116.8 | K577 | K577-K579 PolarHBondContact O-N 2.93Š|
| 580 | V | 56.8 | Low | 57.3 | Low | 117 Ų | 117 | 130.7 Ų | 130.7 | 71% | 0.709 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -104.6 | -7.9 | -176.9 | -176.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 581 | N | 50.7 | Low | 55.6 | Low | 146 Ų | 146 | 134.4 Ų | 134.4 | 78% | 0.781 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -116.3 | 16.4 | -170.2 | -64.2 | -0 | 0 | 0 | 0 | 115.7 | ||
| 582 | E | 48.3 | Very low | 53.7 | Low | 182 Ų | 182 | 135.4 Ų | 135.4 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -112.4 | 16.8 | -172.5 | -120.5 | 174.4 | -165 | 0 | 0 | 115.3 | ||
| 583 | T | 46.8 | Very low | 51.9 | Low | 139 Ų | 139 | 138.6 Ų | 138.6 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | trans | -139.8 | 69.8 | 172.7 | 56.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 584 | S | 40.4 | Very low | 50.1 | Low | 110 Ų | 110 | 140.8 Ų | 140.8 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -144.4 | 72.8 | 167.3 | 63.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 585 | E | 41.5 | Very low | 48.3 | Very low | 185 Ų | 185 | 145.4 Ų | 145.4 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | -150.3 | 138.1 | 166.3 | -125.1 | 174 | -170.8 | 0 | 0 | 109.5 | ||||
| 586 | V | 43.4 | Very low | 46.6 | Very low | 130 Ų | 130 | 150.5 Ų | 150.5 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | trans | 88.3 | 125.1 | 169.9 | -150.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 587 | I | 42.9 | Very low | 45.6 | Very low | 145 Ų | 145 | 151.1 Ų | 151.1 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | 109.5 | 83.9 | 158.1 | -45.4 | -179.7 | 0 | 0 | 0 | 117.3 | ||||
| 588 | H | 43.8 | Very low | 44.4 | Very low | 173 Ų | 173 | 154.1 Ų | 154.1 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | 55.4 | 111.9 | 129.1 | -72.5 | -74.4 | 0 | 0 | 0 | 122.6 | |||||
| 589 | Q | 33.4 | Very low | 43.5 | Very low | 191 Ų | 191 | 155 Ų | 155 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -61.4 | 146.6 | 151 | -76.3 | 170.1 | -42.5 | 0 | 0 | 111.9 | ||||
| 590 | P | 42.7 | Very low | 42.7 | Very low | 127 Ų | 127 | 152.2 Ų | 152.2 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | -131.5 | 168.6 | 124.2 | 32.8 | -18.8 | 0 | 0 | 0 | 113.6 | |||||
| 591 | S | 46 | Very low | 41.9 | Very low | 113 Ų | 113 | 156.9 Ų | 156.9 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -63.8 | 154.5 | -157.2 | 52.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 592 | N | 38.4 | Very low | 41.3 | Very low | 146 Ų | 146 | 157.2 Ų | 157.2 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | trans | -47.7 | 133.4 | 157.7 | -57.9 | -35.4 | 0 | 0 | 0 | 111.6 | ||||
| 593 | D | 42 | Very low | 40.9 | Very low | 156 Ų | 156 | 154.8 Ų | 154.8 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | -174.6 | 149.2 | 131.3 | -86.3 | -24.6 | 0 | 0 | 0 | 109.8 | ||||
| 594 | E | 40.9 | Very low | 40.6 | Very low | 174 Ų | 174 | 154.8 Ų | 154.8 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | 79.9 | 99.9 | 170.1 | -59.6 | -169.8 | 145.3 | 0 | 0 | 118.4 | ||||
| 595 | I | 40.7 | Very low | 40.6 | Very low | 139 Ų | 139 | 156.6 Ų | 156.6 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | 89.3 | 117.1 | 65.1 | -72 | 170.8 | 0 | 0 | 0 | 112.9 | |||||
| 596 | L | 40.5 | Very low | 40.4 | Very low | 151 Ų | 151 | 156.1 Ų | 156.1 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | 86 | 135.7 | 149.4 | -80.9 | 161.4 | 0 | 0 | 0 | 122.7 | ||||
| 597 | L | 42.5 | Very low | 40.3 | Very low | 162 Ų | 162 | 160.4 Ų | 160.4 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | trans | 92.1 | 86.9 | 165 | -57.9 | 152.8 | 0 | 0 | 0 | 115.1 | ||||
| 598 | R | 38.7 | Very low | 40.1 | Very low | 234 Ų | 234 | 158.3 Ų | 158.3 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | 64.2 | 99.3 | 58.3 | -153.2 | -179.1 | -161.3 | -158.6 | 4.8 | 115.3 | |||||
| 599 | N | 36.8 | Very low | 40.2 | Very low | 141 Ų | 141 | 158.6 Ų | 158.6 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | 17.6 | 124.9 | 144.7 | -61.2 | -8.8 | 0 | 0 | 0 | 120.7 | ||||
| 600 | N | 39.9 | Very low | 40.7 | Very low | 135 Ų | 135 | 156.3 Ų | 156.3 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | 177.3 | 131.6 | 134.2 | -84.8 | -25.7 | 0 | 0 | 0 | 105.4 | ||||
| 601 | Y | 39.1 | Very low | 41.1 | Very low | 215 Ų | 215 | 155.8 Ų | 155.8 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | -167.1 | 133.1 | 68.6 | -84.7 | -86.7 | 0 | 0 | 0 | 110.8 | |||||
| 602 | N | 38.3 | Very low | 41 | Very low | 154 Ų | 154 | 156.8 Ų | 156.8 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -101.4 | 165.3 | 148.1 | -107.5 | -18.2 | 0 | 0 | 0 | 107.3 | ||||
| 603 | T | 40.4 | Very low | 41.5 | Very low | 131 Ų | 131 | 161.2 Ų | 161.2 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 95.4 | 111.7 | 172.9 | -25.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 604 | V | 41.3 | Very low | 41.6 | Very low | 138 Ų | 138 | 163 Ų | 163 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | -164.3 | 120.1 | 117.6 | 172.5 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 605 | N | 38.9 | Very low | 41.7 | Very low | 149 Ų | 149 | 161 Ų | 161 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -102.9 | 160.7 | 164.5 | -121.1 | -0.4 | 0 | 0 | 0 | 107.8 | ||||
| 606 | E | 37.8 | Very low | 41.7 | Very low | 174 Ų | 174 | 157.3 Ų | 157.3 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | 76.4 | 121.5 | 167.8 | -66.5 | -177.7 | 141 | 0 | 0 | 119 | ||||
| 607 | Y | 40.6 | Very low | 41.8 | Very low | 221 Ų | 221 | 156.9 Ų | 156.9 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | -166.1 | 103.6 | 125.8 | -107.8 | -82.1 | 0 | 0 | 0 | 110.7 | |||||
| 608 | T | 39.8 | Very low | 42 | Very low | 101 Ų | 101 | 156.5 Ų | 156.5 | 62% | 0.62 | 79% | 0.793 | S | S | * | * | trans | 28.3 | 137 | 139.2 | 55.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 609 | H | 45.7 | Very low | 42.1 | Very low | 178 Ų | 178 | 154.4 Ų | 154.4 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | 171 | 94.3 | 119.7 | -85.6 | -61.1 | 0 | 0 | 0 | 109.1 | |||||
| 610 | N | 43.2 | Very low | 42.7 | Very low | 143 Ų | 143 | 157.3 Ų | 157.3 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | 55 | 101.4 | 90.8 | -156.3 | 17.4 | 0 | 0 | 0 | 116.5 | |||||
| 611 | S | 51.9 | Low | 42.8 | Very low | 116 Ų | 116 | 157.8 Ų | 157.8 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -165.6 | 124.4 | 131.4 | 51.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 612 | N | 44 | Very low | 43 | Very low | 134 Ų | 134 | 154.6 Ų | 154.6 | 72% | 0.717 | 80% | 0.802 | S | S | * | * | trans | -83.5 | 141.5 | 174 | -77.3 | -48.8 | 0 | 0 | 0 | 110.7 | ||||
| 613 | Y | 47.7 | Very low | 43.1 | Very low | 239 Ų | 239 | 153.9 Ų | 153.9 | 94% | 0.937 | 80% | 0.799 | S | S | * | * | trans | -142.6 | 125.5 | 138.3 | -78.6 | -74 | 0 | 0 | 0 | 110.1 | ||||
| 614 | K | 44.8 | Very low | 43.2 | Very low | 193 Ų | 193 | 153.7 Ų | 153.7 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -110.1 | 168.7 | -175.8 | -174.6 | 174.6 | -178.3 | 178.5 | 0 | 108 | ||||
| 615 | T | 44.1 | Very low | 43.2 | Very low | 134 Ų | 134 | 154 Ų | 154 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | 101.3 | 124.4 | 165.9 | -29.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 616 | G | 40.2 | Very low | 43.5 | Very low | 61 Ų | 61 | 152.5 Ų | 152.5 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | cis | 171.1 | 159.5 | -1.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 617 | I | 41.9 | Very low | 43.9 | Very low | 141 Ų | 141 | 152 Ų | 152 | 72% | 0.723 | 78% | 0.777 | S | S | * | * | trans | 74.9 | 96.6 | 135.9 | -53.6 | 168.2 | 0 | 0 | 0 | 117.7 | ||||
| 618 | N | 47.6 | Very low | 44 | Very low | 155 Ų | 155 | 148.1 Ų | 148.1 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | 164.1 | 129.6 | 102.7 | -96.1 | -21.3 | 0 | 0 | 0 | 113.2 | |||||
| 619 | Q | 40.8 | Very low | 44.1 | Very low | 189 Ų | 189 | 151.3 Ų | 151.3 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | -88 | 142.2 | 160.5 | -75.2 | 174.2 | -24.1 | 0 | 0 | 108.6 | ||||
| 620 | E | 47.9 | Very low | 43.7 | Very low | 202 Ų | 202 | 149.1 Ų | 149.1 | 94% | 0.944 | 77% | 0.772 | S | S | * | * | trans | -154.6 | 137.7 | 147.8 | -119.3 | 172 | -164.9 | 0 | 0 | 110.6 | ||||
| 621 | N | 43.4 | Very low | 43.5 | Very low | 146 Ų | 146 | 152.2 Ų | 152.2 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | -88.2 | 163.5 | -177.7 | -78.8 | -35.8 | 0 | 0 | 0 | 111.6 | ||||
| 622 | N | 42.1 | Very low | 42.9 | Very low | 147 Ų | 147 | 152.4 Ų | 152.4 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | 102.3 | 116.3 | 151.2 | -61.3 | -28.4 | 0 | 0 | 0 | 119.1 | ||||
| 623 | N | 41.6 | Very low | 43 | Very low | 139 Ų | 139 | 151.8 Ų | 151.8 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | 64.5 | 134.4 | 133.9 | -83.7 | 14.4 | 0 | 0 | 0 | 123.3 | ||||
| 624 | D | 42.2 | Very low | 43.1 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 68% | 0.684 | 78% | 0.777 | S | S | * | * | trans | 82.3 | 110.9 | 145.2 | -61.7 | -27 | 0 | 0 | 0 | 120.7 | ||||
| 625 | N | 41.7 | Very low | 43.4 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | 72.4 | 137.4 | 135.6 | -72.4 | -25 | 0 | 0 | 0 | 121.3 | ||||
| 626 | D | 44.4 | Very low | 44.1 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 63% | 0.631 | 76% | 0.764 | S | S | * | * | trans | 85.5 | 110 | 149.8 | -79.3 | 9.6 | 0 | 0 | 0 | 120.6 | ||||
| 627 | K | 45.5 | Very low | 45.7 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 70% | 0.704 | 76% | 0.755 | S | S | * | * | trans | 92.8 | 116.8 | 131.1 | -68.2 | 169.8 | -179.7 | 126.1 | 0 | 119.7 | ||||
| 628 | N | 42.8 | Very low | 46.9 | Very low | 140 Ų | 140 | 145.9 Ų | 145.9 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | trans | 73.7 | 103.1 | 135.3 | -59.8 | -16.2 | 0 | 0 | 0 | 119.8 | ||||
| 629 | H | 42.8 | Very low | 48.2 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 78% | 0.782 | 74% | 0.744 | S | S | * | * | 171.8 | 107.7 | 113.9 | -110.8 | -98.6 | 0 | 0 | 0 | 108.3 | |||||
| 630 | L | 36.3 | Very low | 49.9 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | 90.7 | 87.9 | 88.7 | -167.5 | 80.5 | 0 | 0 | 0 | 112.5 | |||||
| 631 | F | 41 | Very low | 51.2 | Low | 208 Ų | 208 | 133.9 Ų | 133.9 | 91% | 0.912 | 70% | 0.7 | S | S | * | * | trans | -165.7 | 86.7 | 143.4 | -103.7 | -74.3 | 0 | 0 | 0 | 107.8 | ||||
| 632 | T | 38.7 | Very low | 52.8 | Low | 119 Ų | 119 | 130.4 Ų | 130.4 | 73% | 0.73 | 68% | 0.679 | S | S | * | * | trans | -112.5 | 99.6 | 170.1 | 59 | 0 | 0 | 0 | 0 | 108.8 | K634 | T632-K634 PolarHBondContact O-N 3.47Š| ||
| 633 | S | 45.6 | Very low | 54.5 | Low | 121 Ų | 121 | 130 Ų | 130 | 85% | 0.846 | 67% | 0.67 | S | S | * | * | trans | -67.9 | 95.2 | 161.8 | 53.2 | 0 | 0 | 0 | 0 | 108.1 | S635 | S633-S635 PolarHBondContact O-N 2.89Š| ||
| 634 | K | 49.1 | Very low | 56.3 | Low | 191 Ų | 191 | 126.6 Ų | 126.6 | 83% | 0.83 | 65% | 0.654 | S | S | * | * | trans | -67.7 | 112 | 171.9 | -80.1 | -179.9 | 176.1 | 176.2 | 0 | 108.7 | T632 | T632-K634 PolarHBondContact O-N 3.47Š| ||
| 635 | S | 51.3 | Low | 57.8 | Low | 104 Ų | 104 | 123 Ų | 123 | 73% | 0.727 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 141.4 | 162.8 | 37 | 0 | 0 | 0 | 0 | 109.6 | S633 S637 | S633-S635 PolarHBondContact O-N 2.89Å; S635-S637 PolarHBondContact O-N 3.44Å |
| 636 | P | 58.6 | Low | 59.2 | Low | 103 Ų | 103 | 120.8 Ų | 120.8 | 67% | 0.669 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 130.3 | 176.4 | -18.5 | 29.4 | 0 | 0 | 0 | 109.4 | ||
| 637 | S | 74.2 | Confident | 60.6 | Low | 64 Ų | 64 | 121.1 Ų | 121.1 | 45% | 0.448 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 149.1 | 174.2 | 73.2 | 0 | 0 | 0 | 0 | 109.8 | S635 L639 T640 F641 | S635-S637 PolarHBondContact O-N 3.44Å; S637-L639 PolarHBondContact O-N 3.45Å; S637-T640 WeakPolarHBondContact O-CA 3.32Å; S637-T640 VanDerWaalsContact O-CB 3.31Å; S637-T640 WeakPolarHBondContact O-CB 3.28Å; S637-T640 PolarHBondContact O-N 3.45Å; S637-T640 PolarHBondContact OG-N 2.96Å; S637-T640 PolarHBondContact OG-OG1 2.9Å; S637-F641 PolarHBondContact O-N 2.98Å; S637-F641 VanDerWaalsContact O-N 3.13Å |
| 638 | W | 67.8 | Low | 61.8 | Low | 182 Ų | 182 | 117.6 Ų | 117.6 | 69% | 0.689 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -49.4 | -34.9 | 174.6 | -174.9 | -120.2 | 0 | 0 | 0 | 112.8 | T640 F641 H642 | W638-T640 PolarHBondContact O-N 2.89Å; W638-F641 HydrophobicContact CE3-CD1 4.1Å; W638-F641 HydrophobicContact CH2-CD1 4.36Å; W638-F641 HydrophobicContact CH2-CE1 4.41Å; W638-F641 AromaticContact CZ3-CD1 3.79Å; W638-F641 HydrophobicContact CZ3-CD1 3.79Å; W638-F641 HydrophobicContact CZ3-CE1 4.08Å; W638-F641 PolarHBondContact O-N 3.49Å; W638-H642 AromaticContact CD1-CD2 3.93Å; W638-H642 AromaticContact CD2-CD2 3.85Å; W638-H642 AromaticContact CD2-NE2 3.97Å; W638-H642 AromaticContact CE2-CD2 3.43Å; W638-H642 VanDerWaalsContact CE2-CD2 3.43Å; W638-H642 AromaticContact CE2-NE2 3.12Å; W638-H642 AromaticContact CH2-NE2 3.73Å; W638-H642 AromaticContact CZ2-CD2 3.78Å; W638-H642 AromaticContact CZ2-NE2 3Å; W638-H642 WeakPolarHBondContact CZ2-NE2 3.48Å; W638-H642 AromaticContact NE1-CD2 3.46Å; W638-H642 PolarHBondContact NE1-CD2 2.92Å; W638-H642 AromaticContact NE1-NE2 3.36Å; W638-H642 PolarHBondContact NE1-NE2 3.1Å; W638-H642 PolarHBondContact O-CD2 2.97Å; W638-H642 PolarHBondContact O-N 3.33Å |
| 639 | L | 74.1 | Confident | 62.9 | Low | 120 Ų | 120 | 113.9 Ų | 113.9 | 63% | 0.628 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.1 | -35.8 | 175.8 | -159.6 | 73.8 | 0 | 0 | 0 | 113 | S637 K643 | S637-L639 PolarHBondContact O-N 3.45Å; L639-K643 WeakPolarHBondContact O-CG 3.46Å; L639-K643 PolarHBondContact O-N 3.3Å; L639-K643 VanDerWaalsContact O-N 3.12Å |
| 640 | T | 77.8 | Confident | 64.1 | Low | 72 Ų | 72 | 111 Ų | 111 | 44% | 0.442 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69.2 | -43.7 | 176.1 | -50.4 | 0 | 0 | 0 | 0 | 110.2 | S637 W638 H642 K643 T644 | S637-T640 WeakPolarHBondContact O-CA 3.32Å; S637-T640 VanDerWaalsContact O-CB 3.31Å; S637-T640 WeakPolarHBondContact O-CB 3.28Å; S637-T640 PolarHBondContact O-N 3.45Å; S637-T640 PolarHBondContact OG-N 2.96Å; S637-T640 PolarHBondContact OG-OG1 2.9Å; W638-T640 PolarHBondContact O-N 2.89Å; T640-H642 PolarHBondContact O-N 3.28Å; T640-K643 PolarHBondContact O-N 3.38Å; T640-T644 PolarHBondContact O-N 2.91Å; T640-T644 PolarHBondContact O-OG1 3.29Å; T640-T644 VanDerWaalsContact O-OG1 3.06Å |
| 641 | F | 74.1 | Confident | 65.5 | Low | 102 Ų | 102 | 110.7 Ų | 110.7 | 45% | 0.447 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -57.8 | -47.8 | 175.5 | 177.7 | -100.3 | 0 | 0 | 0 | 112 | S637 W638 K643 T644 V645 | S637-F641 PolarHBondContact O-N 2.98Å; S637-F641 VanDerWaalsContact O-N 3.13Å; W638-F641 HydrophobicContact CE3-CD1 4.1Å; W638-F641 HydrophobicContact CH2-CD1 4.36Å; W638-F641 HydrophobicContact CH2-CE1 4.41Å; W638-F641 AromaticContact CZ3-CD1 3.79Å; W638-F641 HydrophobicContact CZ3-CD1 3.79Å; W638-F641 HydrophobicContact CZ3-CE1 4.08Å; W638-F641 PolarHBondContact O-N 3.49Å; F641-K643 PolarHBondContact O-N 3.32Å; F641-T644 PolarHBondContact O-N 2.99Å; F641-V645 HydrophobicContact CD1-CG2 4.25Å; F641-V645 HydrophobicContact CD2-CG2 4.46Å; F641-V645 HydrophobicContact CE1-CG2 3.86Å; F641-V645 HydrophobicContact CE2-CG2 4.09Å; F641-V645 HydrophobicContact CZ-CG2 3.77Å; F641-V645 WeakPolarHBondContact O-CG2 3.38Å; F641-V645 PolarHBondContact O-N 3.31Å |
| 642 | H | 76.7 | Confident | 66.2 | Low | 73 Ų | 73 | 108.3 Ų | 108.3 | 34% | 0.338 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.5 | -35.4 | 178.3 | -87.1 | -71.8 | 0 | 0 | 0 | 113.8 | W638 T640 T644 V645 N646 | W638-H642 AromaticContact CD1-CD2 3.93Å; W638-H642 AromaticContact CD2-CD2 3.85Å; W638-H642 AromaticContact CD2-NE2 3.97Å; W638-H642 AromaticContact CE2-CD2 3.43Å; W638-H642 VanDerWaalsContact CE2-CD2 3.43Å; W638-H642 AromaticContact CE2-NE2 3.12Å; W638-H642 AromaticContact CH2-NE2 3.73Å; W638-H642 AromaticContact CZ2-CD2 3.78Å; W638-H642 AromaticContact CZ2-NE2 3Å; W638-H642 WeakPolarHBondContact CZ2-NE2 3.48Å; W638-H642 AromaticContact NE1-CD2 3.46Å; W638-H642 PolarHBondContact NE1-CD2 2.92Å; W638-H642 AromaticContact NE1-NE2 3.36Å; W638-H642 PolarHBondContact NE1-NE2 3.1Å; W638-H642 PolarHBondContact O-CD2 2.97Å; W638-H642 PolarHBondContact O-N 3.33Å; T640-H642 PolarHBondContact O-N 3.28Å; H642-T644 VanDerWaalsContact C-N 3.35Å; H642-V645 PolarHBondContact O-N 3.12Å; H642-N646 WeakPolarHBondContact O-CB 3.49Å; H642-N646 PolarHBondContact O-N 3.36Å |
| 643 | K | 79.3 | Confident | 66.9 | Low | 140 Ų | 140 | 108.7 Ų | 108.7 | 61% | 0.609 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.3 | -43.3 | 172.8 | -80.2 | -176 | 177.5 | -176 | 0 | 111.5 | L639 T640 F641 N646 Q647 | L639-K643 WeakPolarHBondContact O-CG 3.46Å; L639-K643 PolarHBondContact O-N 3.3Å; L639-K643 VanDerWaalsContact O-N 3.12Å; T640-K643 PolarHBondContact O-N 3.38Å; F641-K643 PolarHBondContact O-N 3.32Å; K643-N646 PolarHBondContact O-N 3.13Å; K643-Q647 WeakPolarHBondContact O-CB 3.4Å; K643-Q647 PolarHBondContact O-N 3.49Å |
| 644 | T | 78.4 | Confident | 67 | Low | 66 Ų | 66 | 110.9 Ų | 110.9 | 41% | 0.405 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.5 | -41.4 | 176.9 | -51.7 | 0 | 0 | 0 | 0 | 111.8 | T640 F641 H642 Q647 L648 | T640-T644 PolarHBondContact O-N 2.91Å; T640-T644 PolarHBondContact O-OG1 3.29Å; T640-T644 VanDerWaalsContact O-OG1 3.06Å; F641-T644 PolarHBondContact O-N 2.99Å; H642-T644 VanDerWaalsContact C-N 3.35Å; T644-Q647 PolarHBondContact O-N 3.2Å; T644-L648 HydrophobicContact CG2-CD1 4.1Å; T644-L648 HydrophobicContact CG2-CG 4.49Å; T644-L648 WeakPolarHBondContact O-CB 3.23Å; T644-L648 VanDerWaalsContact O-CG 3.28Å; T644-L648 WeakPolarHBondContact O-CG 3.45Å; T644-L648 PolarHBondContact O-N 2.94Å |
| 645 | V | 72.9 | Confident | 66.9 | Low | 52 Ų | 52 | 106.6 Ų | 106.6 | 32% | 0.315 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.1 | -40.2 | 176.3 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | F641 H642 L648 S649 | F641-V645 HydrophobicContact CD1-CG2 4.25Å; F641-V645 HydrophobicContact CD2-CG2 4.46Å; F641-V645 HydrophobicContact CE1-CG2 3.86Å; F641-V645 HydrophobicContact CE2-CG2 4.09Å; F641-V645 HydrophobicContact CZ-CG2 3.77Å; F641-V645 WeakPolarHBondContact O-CG2 3.38Å; F641-V645 PolarHBondContact O-N 3.31Å; H642-V645 PolarHBondContact O-N 3.12Å; V645-L648 PolarHBondContact O-N 3.35Å; V645-S649 WeakPolarHBondContact O-CB 3.49Å; V645-S649 PolarHBondContact O-N 3.13Å |
| 646 | N | 72.6 | Confident | 66.7 | Low | 98 Ų | 98 | 107.8 Ų | 107.8 | 52% | 0.524 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.9 | -36.5 | 176.2 | -76.6 | -9.5 | 0 | 0 | 0 | 112.5 | H642 K643 S649 N650 | H642-N646 WeakPolarHBondContact O-CB 3.49Å; H642-N646 PolarHBondContact O-N 3.36Å; K643-N646 PolarHBondContact O-N 3.13Å; N646-S649 PolarHBondContact O-N 2.94Å; N646-N650 WeakPolarHBondContact O-CB 3.12Å; N646-N650 VanDerWaalsContact O-CG 3.22Å; N646-N650 PolarHBondContact O-N 2.9Å; N646-N650 PolarHBondContact O-ND2 3.4Å |
| 647 | Q | 73.7 | Confident | 65.8 | Low | 125 Ų | 125 | 109.9 Ų | 109.9 | 58% | 0.584 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62 | -47.9 | 171.2 | -89.4 | 175.1 | -24.6 | 0 | 0 | 111.2 | K643 T644 S649 N650 E651 | K643-Q647 WeakPolarHBondContact O-CB 3.4Å; K643-Q647 PolarHBondContact O-N 3.49Å; T644-Q647 PolarHBondContact O-N 3.2Å; Q647-S649 VanDerWaalsContact C-N 3.34Å; Q647-S649 PolarHBondContact O-N 2.78Å; Q647-N650 PolarHBondContact O-N 2.93Å; Q647-E651 WeakPolarHBondContact O-CG 3.38Å; Q647-E651 PolarHBondContact O-N 3.02Å |
| 648 | L | 70.6 | Confident | 64.3 | Low | 89 Ų | 89 | 116.1 Ų | 116.1 | 47% | 0.466 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.2 | -35.1 | 178.1 | -70.4 | 172 | 0 | 0 | 0 | 112.7 | T644 V645 N650 E651 F652 | T644-L648 HydrophobicContact CG2-CD1 4.1Å; T644-L648 HydrophobicContact CG2-CG 4.49Å; T644-L648 WeakPolarHBondContact O-CB 3.23Å; T644-L648 VanDerWaalsContact O-CG 3.28Å; T644-L648 WeakPolarHBondContact O-CG 3.45Å; T644-L648 PolarHBondContact O-N 2.94Å; V645-L648 PolarHBondContact O-N 3.35Å; L648-N650 VanDerWaalsContact C-N 3.34Å; L648-E651 PolarHBondContact O-N 3.33Å; L648-F652 WeakPolarHBondContact O-CB 3.33Å; L648-F652 PolarHBondContact O-N 3.2Å |
| 649 | S | 65.8 | Low | 63.1 | Low | 61 Ų | 61 | 114.4 Ų | 114.4 | 43% | 0.427 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71 | -30.5 | 176.1 | -164.3 | 0 | 0 | 0 | 0 | 112.5 | V645 N646 Q647 N653 | V645-S649 WeakPolarHBondContact O-CB 3.49Å; V645-S649 PolarHBondContact O-N 3.13Å; N646-S649 PolarHBondContact O-N 2.94Å; Q647-S649 VanDerWaalsContact C-N 3.34Å; Q647-S649 PolarHBondContact O-N 2.78Å; S649-N653 PolarHBondContact O-N 2.94Å; S649-N653 PolarHBondContact O-ND2 3.04Å |
| 650 | N | 67.2 | Low | 61.5 | Low | 109 Ų | 109 | 113.1 Ų | 113.1 | 58% | 0.583 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -75.7 | -34.8 | 173.2 | -71.5 | -16.4 | 0 | 0 | 0 | 111.6 | N646 Q647 L648 | N646-N650 WeakPolarHBondContact O-CB 3.12Å; N646-N650 VanDerWaalsContact O-CG 3.22Å; N646-N650 PolarHBondContact O-N 2.9Å; N646-N650 PolarHBondContact O-ND2 3.4Å; Q647-N650 PolarHBondContact O-N 2.93Å; L648-N650 VanDerWaalsContact C-N 3.34Å |
| 651 | E | 65.9 | Low | 59.9 | Low | 126 Ų | 126 | 115.8 Ų | 115.8 | 59% | 0.589 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.8 | -39.3 | 174.3 | -75 | 177.1 | 179.3 | 0 | 0 | 112.3 | Q647 L648 N653 M654 | Q647-E651 WeakPolarHBondContact O-CG 3.38Å; Q647-E651 PolarHBondContact O-N 3.02Å; L648-E651 PolarHBondContact O-N 3.33Å; E651-N653 VanDerWaalsContact C-N 3.33Å; E651-N653 PolarHBondContact O-N 3.27Å; E651-M654 PolarHBondContact O-N 3.21Å |
| 652 | F | 55.5 | Low | 58.5 | Low | 158 Ų | 158 | 116 Ų | 116 | 69% | 0.693 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.5 | -29 | 176.6 | -109.9 | -91.2 | 0 | 0 | 0 | 113.5 | L648 M654 T655 | L648-F652 WeakPolarHBondContact O-CB 3.33Å; L648-F652 PolarHBondContact O-N 3.2Å; F652-M654 PolarHBondContact O-N 2.83Å; F652-T655 PolarHBondContact O-OG1 2.93Å |
| 653 | N | 53.2 | Low | 56.9 | Low | 126 Ų | 126 | 119.2 Ų | 119.2 | 67% | 0.674 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -7.8 | 175.8 | -81.7 | -23.2 | 0 | 0 | 0 | 113.7 | S649 E651 | S649-N653 PolarHBondContact O-N 2.94Å; S649-N653 PolarHBondContact O-ND2 3.04Å; E651-N653 VanDerWaalsContact C-N 3.33Å; E651-N653 PolarHBondContact O-N 3.27Å |
| 654 | M | 49.1 | Very low | 55.2 | Low | 168 Ų | 168 | 118.3 Ų | 118.3 | 83% | 0.828 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -6 | 177.6 | -72.2 | -74.2 | 178.5 | 0 | 0 | 113.6 | E651 F652 | E651-M654 PolarHBondContact O-N 3.21Å; F652-M654 PolarHBondContact O-N 2.83Å |
| 655 | T | 46.4 | Very low | 53.6 | Low | 101 Ų | 101 | 121.7 Ų | 121.7 | 62% | 0.62 | 63% | 0.628 | S | S | * | * | trans | -110.8 | 4.7 | -173.1 | 38.9 | 0 | 0 | 0 | 0 | 116.1 | F652 N657 | F652-T655 PolarHBondContact O-OG1 2.93Å; T655-N657 PolarHBondContact O-N 3.31Å; T655-N657 VanDerWaalsContact O-N 3.12Å | ||
| 656 | D | 46.3 | Very low | 52.2 | Low | 129 Ų | 129 | 126.3 Ų | 126.3 | 69% | 0.69 | 65% | 0.646 | S | S | * | * | trans | -82.4 | 94.5 | 172 | -103.4 | -5 | 0 | 0 | 0 | 111.2 | R658 | D656-R658 PolarHBondContact O-N 3.32Š| ||
| 657 | N | 40.9 | Very low | 50.7 | Low | 146 Ų | 146 | 131.5 Ų | 131.5 | 78% | 0.781 | 66% | 0.658 | S | S | * | * | trans | -64.2 | 72.7 | 176.1 | -138.5 | -10.1 | 0 | 0 | 0 | 110.9 | T655 N659 | T655-N657 PolarHBondContact O-N 3.31Å; T655-N657 VanDerWaalsContact O-N 3.12Å; N657-N659 VanDerWaalsContact C-N 3.33Å; N657-N659 PolarHBondContact O-N 3.05Å | ||
| 658 | R | 42.6 | Very low | 49.3 | Very low | 196 Ų | 196 | 129.6 Ų | 129.6 | 74% | 0.74 | 66% | 0.656 | S | S | * | * | trans | -91.7 | 59.4 | 172.1 | -80.8 | -172.2 | 172.7 | 144.6 | 1.4 | 111.4 | D656 | D656-R658 PolarHBondContact O-N 3.32Š| ||
| 659 | N | 41.4 | Very low | 48 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 78% | 0.775 | 67% | 0.668 | S | S | * | * | trans | -106.9 | 72.6 | 172.1 | -77 | -24.7 | 0 | 0 | 0 | 110.5 | N657 | N657-N659 VanDerWaalsContact C-N 3.33Å; N657-N659 PolarHBondContact O-N 3.05Å | ||
| 660 | S | 42.1 | Very low | 46.9 | Very low | 94 Ų | 94 | 136.6 Ų | 136.6 | 66% | 0.657 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -167.7 | -13 | 157.2 | 67.6 | 0 | 0 | 0 | 0 | 116.4 | ||
| 661 | L | 42.9 | Very low | 45.8 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 67% | 0.67 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -106.1 | -20.3 | -176.9 | -94.6 | 103.4 | 0 | 0 | 0 | 116.7 | N663 | L661-N663 PolarHBondContact O-N 3.06Š|
| 662 | N | 44.2 | Very low | 44.6 | Very low | 105 Ų | 105 | 137 Ų | 137 | 56% | 0.561 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -86.3 | -4 | -174.9 | -71.6 | -7.6 | 0 | 0 | 0 | 115.2 | ||
| 663 | N | 44.3 | Very low | 44 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 75% | 0.754 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -96.9 | -5.3 | 179.4 | -81.9 | -17.2 | 0 | 0 | 0 | 114.6 | L661 | L661-N663 PolarHBondContact O-N 3.06Å |
| 664 | I | 43.7 | Very low | 43.5 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 62% | 0.621 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -99.3 | -29.9 | 179.4 | -64.2 | 173.5 | 0 | 0 | 0 | 111.4 | T668 | I664-T668 PolarHBondContact O-OG1 3.17Å |
| 665 | E | 44.1 | Very low | 42.9 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 64% | 0.64 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -80.7 | -29.6 | 178.9 | -70.4 | -175.5 | 161.9 | 0 | 0 | 113.4 | ||
| 666 | H | 44.4 | Very low | 42.4 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 69% | 0.694 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -83 | -14.6 | 177.4 | -81.8 | -65.8 | 0 | 0 | 0 | 115.2 | ||
| 667 | R | 40.8 | Very low | 42.1 | Very low | 206 Ų | 206 | 144.1 Ų | 144.1 | 78% | 0.777 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -86.2 | -17.9 | 172 | -93 | -174.5 | -169.6 | -157.4 | 2.6 | 114.1 | ||
| 668 | T | 43.4 | Very low | 41.8 | Very low | 86 Ų | 86 | 144.8 Ų | 144.8 | 53% | 0.528 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -97.8 | -19.4 | -173.7 | -35.2 | 0 | 0 | 0 | 0 | 112.6 | I664 | I664-T668 PolarHBondContact O-OG1 3.17Å |
| 669 | F | 43.1 | Very low | 41.4 | Very low | 164 Ų | 164 | 143.3 Ų | 143.3 | 72% | 0.719 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -92.7 | -16.1 | 178.9 | -96.8 | -86.9 | 0 | 0 | 0 | 115.6 | ||
| 670 | N | 43.7 | Very low | 41.1 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -97.1 | -7.1 | -179.1 | -95.5 | -6 | 0 | 0 | 0 | 115.3 | ||
| 671 | N | 42.7 | Very low | 40.9 | Very low | 127 Ų | 127 | 144 Ų | 144 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -100.9 | -4.6 | -178.6 | -89.3 | -18.1 | 0 | 0 | 0 | 115.1 | ||
| 672 | N | 42 | Very low | 40.6 | Very low | 118 Ų | 118 | 144 Ų | 144 | 63% | 0.631 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -109.6 | -2.1 | -176.4 | -72.7 | -15 | 0 | 0 | 0 | 115 | ||
| 673 | N | 42 | Very low | 40.3 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 68% | 0.684 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -103.6 | 1.5 | 179 | -81 | -10.7 | 0 | 0 | 0 | 115.1 | ||
| 674 | N | 42.4 | Very low | 40 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -111.2 | 13.9 | 178.5 | -93.4 | -9.2 | 0 | 0 | 0 | 114.2 | ||
| 675 | R | 36.5 | Very low | 39.8 | Very low | 224 Ų | 224 | 149 Ų | 149 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -124.8 | 10 | -174.2 | -134.5 | 177.4 | 177.4 | -176.1 | -1.9 | 115.4 | ||
| 676 | F | 37.4 | Very low | 39.5 | Very low | 194 Ų | 194 | 150 Ų | 150 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -120.4 | 3.2 | -179.6 | -106.3 | -83.7 | 0 | 0 | 0 | 115 | ||
| 677 | N | 38.7 | Very low | 39.5 | Very low | 135 Ų | 135 | 149.7 Ų | 149.7 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -112.9 | 10.6 | -178.5 | -76.8 | -18.9 | 0 | 0 | 0 | 114.8 | ||
| 678 | H | 36.3 | Very low | 39.3 | Very low | 160 Ų | 160 | 145.8 Ų | 145.8 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -140.7 | 133.9 | 172.1 | -63.3 | -62.1 | 0 | 0 | 0 | 106.9 | ||
| 679 | I | 33.4 | Very low | 39.1 | Very low | 166 Ų | 166 | 147.9 Ų | 147.9 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 98.2 | 72.8 | -171.2 | -48.5 | 153.4 | 0 | 0 | 0 | 112.4 | ||
| 680 | T | 35.5 | Very low | 38.7 | Very low | 128 Ų | 128 | 147 Ų | 147 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 169.2 | 138.9 | 133.2 | 33.2 | 0 | 0 | 0 | 0 | 109.2 | ||
| 681 | T | 38.3 | Very low | 38.6 | Very low | 124 Ų | 124 | 149.1 Ų | 149.1 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | trans | 91.3 | 44.4 | -179.4 | 74 | 0 | 0 | 0 | 0 | 117.8 | Q683 | T681-Q683 VanDerWaalsContact C-N 3.34Š| ||
| 682 | S | 36.5 | Very low | 38.6 | Very low | 128 Ų | 128 | 151.9 Ų | 151.9 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -97.8 | 37.5 | 150.6 | -42.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 683 | Q | 37.6 | Very low | 38.4 | Very low | 176 Ų | 176 | 152.8 Ų | 152.8 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -151.7 | 39.8 | -172.7 | -74.1 | -159.6 | -27.3 | 0 | 0 | 114.5 | T681 | T681-Q683 VanDerWaalsContact C-N 3.34Š| ||
| 684 | L | 38.5 | Very low | 38.4 | Very low | 145 Ų | 145 | 155 Ų | 155 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | trans | -138.2 | 31.1 | 169.8 | -75.3 | 176.3 | 0 | 0 | 0 | 112.9 | ||||
| 685 | D | 37.8 | Very low | 38.1 | Very low | 152 Ų | 152 | 157.1 Ų | 157.1 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -98.6 | 121.6 | 156.2 | -67.5 | -35.6 | 0 | 0 | 0 | 106 | ||
| 686 | N | 39.5 | Very low | 38.7 | Very low | 157 Ų | 157 | 157.9 Ų | 157.9 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | trans | 91.8 | 87.2 | -173 | -53.8 | -31.5 | 0 | 0 | 0 | 115.7 | ||||
| 687 | I | 43.5 | Very low | 38.7 | Very low | 145 Ų | 145 | 156.1 Ų | 156.1 | 74% | 0.744 | 83% | 0.831 | S | S | * | * | trans | -161.5 | 93.2 | 140.7 | -84.7 | 141.9 | 0 | 0 | 0 | 102.7 | ||||
| 688 | D | 37.4 | Very low | 38.7 | Very low | 124 Ų | 124 | 157.2 Ų | 157.2 | 66% | 0.663 | 84% | 0.836 | S | S | * | * | 68.4 | 99.4 | 107.9 | -66.1 | -34.9 | 0 | 0 | 0 | 111.2 | |||||
| 689 | T | 37.7 | Very low | 38.9 | Very low | 130 Ų | 130 | 157 Ų | 157 | 80% | 0.798 | 84% | 0.842 | S | S | * | * | 48.4 | 55.2 | 66.2 | -25.1 | 0 | 0 | 0 | 0 | 111 | |||||
| 690 | D | 36.3 | Very low | 39.2 | Very low | 144 Ų | 144 | 156.5 Ų | 156.5 | 77% | 0.77 | 84% | 0.841 | S | S | * | * | trans | -176.9 | 92.1 | 161.5 | -88.4 | -26.1 | 0 | 0 | 0 | 108.2 | ||||
| 691 | I | 41.1 | Very low | 39.4 | Very low | 177 Ų | 177 | 158.3 Ų | 158.3 | 91% | 0.908 | 85% | 0.845 | S | S | * | * | trans | -173.8 | 50.6 | 149.3 | -81.4 | 143.8 | 0 | 0 | 0 | 105.8 | ||||
| 692 | E | 41.4 | Very low | 39.5 | Very low | 186 Ų | 186 | 160.5 Ų | 160.5 | 87% | 0.869 | 85% | 0.85 | S | S | * | * | trans | -95.6 | 143.9 | 146.6 | -135.3 | 170.6 | -157.4 | 0 | 0 | 103.5 | ||||
| 693 | V | 39.5 | Very low | 39.7 | Very low | 136 Ų | 136 | 162.9 Ų | 162.9 | 82% | 0.824 | 85% | 0.847 | S | S | * | * | trans | 91.2 | 74.9 | -166.9 | -165.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 694 | L | 41.6 | Very low | 39.8 | Very low | 176 Ų | 176 | 161.8 Ų | 161.8 | 92% | 0.921 | 85% | 0.849 | S | S | * | * | trans | -158.9 | 63.9 | 135.9 | -99 | 170.1 | 0 | 0 | 0 | 108 | ||||
| 695 | Q | 36.1 | Very low | 40 | Very low | 193 Ų | 193 | 163.3 Ų | 163.3 | 90% | 0.902 | 86% | 0.856 | S | S | * | * | trans | -119.4 | 90.8 | 160.5 | -93.3 | -179.2 | -26 | 0 | 0 | 106.9 | ||||
| 696 | I | 47.7 | Very low | 40.1 | Very low | 239 Ų | 239 | 164.3 Ų | 164.3 | 100% | 1.226 | 86% | 0.86 | S | S | * | * | trans | -149.5 | 0 | 143.8 | -64.1 | -168.7 | 0 | 0 | 0 | 105.8 |
Retrieved 696 of 696 residues in 125.1 ms
(Link to these results)