| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.1 | Very low | 34.9 | Very low | 240 Ų | 240 | 162.6 Ų | 162.6 | 100% | 1.182 | 85% | 0.847 | S | S | * | * | 0 | 143.5 | 0 | -69.7 | 168.7 | 76.4 | 0 | 0 | 107.6 | |||||
| 2 | N | 34.9 | Very low | 35 | Very low | 140 Ų | 140 | 159.3 Ų | 159.3 | 75% | 0.749 | 84% | 0.839 | S | S | * | * | trans | 33.5 | 101.6 | 175.8 | -65.1 | 15.6 | 0 | 0 | 0 | 119.3 | ||||
| 3 | S | 27.6 | Very low | 35.2 | Very low | 115 Ų | 115 | 156.7 Ų | 156.7 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -66.8 | 136.9 | 148.3 | 34.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 4 | H | 43.1 | Very low | 35.4 | Very low | 164 Ų | 164 | 153.3 Ų | 153.3 | 76% | 0.759 | 82% | 0.821 | S | S | * | * | trans | -135.3 | 132 | 161.2 | -94.5 | -53.6 | 0 | 0 | 0 | 112 | ||||
| 5 | N | 37.8 | Very low | 35 | Very low | 136 Ų | 136 | 155.7 Ų | 155.7 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | -62.3 | 137.1 | -171.6 | -62.8 | -27.3 | 0 | 0 | 0 | 113.8 | ||||
| 6 | W | 34.3 | Very low | 35.3 | Very low | 268 Ų | 268 | 152.9 Ų | 152.9 | 100% | 1.015 | 81% | 0.813 | S | S | * | * | trans | -104.7 | 77.9 | 148.7 | -80.7 | 76.5 | 0 | 0 | 0 | 108.9 | ||||
| 7 | S | 32.2 | Very low | 35.2 | Very low | 99 Ų | 99 | 154.9 Ų | 154.9 | 69% | 0.692 | 82% | 0.816 | S | S | * | * | trans | -122.6 | 103.8 | 173 | 59.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 8 | G | 33.6 | Very low | 35.4 | Very low | 72 Ų | 72 | 156.3 Ų | 156.3 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | 176.4 | 46.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 9 | F | 34.6 | Very low | 35.3 | Very low | 204 Ų | 204 | 153.4 Ų | 153.4 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -146.1 | 45.5 | 168.8 | -135.4 | -85.3 | 0 | 0 | 0 | 114 | ||||
| 10 | D | 34.6 | Very low | 35.6 | Very low | 161 Ų | 161 | 155.8 Ų | 155.8 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -127.9 | 100.8 | 161.4 | -85.8 | -49.2 | 0 | 0 | 0 | 108.9 | ||||
| 11 | Q | 35.8 | Very low | 35.5 | Very low | 190 Ų | 190 | 155.6 Ų | 155.6 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | -112.3 | 96.6 | 162.8 | -90.2 | -173.2 | -8.2 | 0 | 0 | 108.7 | V13 | Q11-V13 PolarHBondContact O-N 2.98Š| ||
| 12 | T | 36.2 | Very low | 35.5 | Very low | 122 Ų | 122 | 149.2 Ų | 149.2 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -67.6 | 107 | 168 | 42.3 | 0 | 0 | 0 | 0 | 109.6 | V14 | T12-V14 PolarHBondContact O-N 3.43Š| ||
| 13 | V | 38.2 | Very low | 35.6 | Very low | 126 Ų | 126 | 149.8 Ų | 149.8 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | -76.4 | 96 | 170.7 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | Q11 F15 | Q11-V13 PolarHBondContact O-N 2.98Å; V13-F15 PolarHBondContact O-N 3.33Å | ||
| 14 | V | 37 | Very low | 35.9 | Very low | 109 Ų | 109 | 152.6 Ų | 152.6 | 66% | 0.661 | 79% | 0.794 | S | S | * | * | trans | -79 | 115.3 | 171.9 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | T12 T16 | T12-V14 PolarHBondContact O-N 3.43Å; V14-T16 HydrophobicContact CG1-CG2 4.36Å; V14-T16 PolarHBondContact O-N 3.3Å | ||
| 15 | F | 30.6 | Very low | 35.5 | Very low | 190 Ų | 190 | 152.9 Ų | 152.9 | 83% | 0.833 | 80% | 0.801 | S | S | * | * | trans | -74 | 120 | 163.9 | -93 | -94.7 | 0 | 0 | 0 | 109.3 | V13 | V13-F15 PolarHBondContact O-N 3.33Š| ||
| 16 | T | 39.8 | Very low | 35.2 | Very low | 111 Ų | 111 | 151.5 Ų | 151.5 | 68% | 0.681 | 80% | 0.797 | S | S | * | * | trans | -104.9 | 110.6 | 167.2 | 31.9 | 0 | 0 | 0 | 0 | 109.9 | V14 | V14-T16 HydrophobicContact CG1-CG2 4.36Å; V14-T16 PolarHBondContact O-N 3.3Å | ||
| 17 | E | 32.3 | Very low | 35.5 | Very low | 187 Ų | 187 | 145.4 Ų | 145.4 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -74.6 | 128.4 | 168 | -66.4 | -174.1 | 147.4 | 0 | 0 | 110 | ||||
| 18 | H | 40 | Very low | 35.5 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -119 | 98.1 | 164 | -86.7 | -56.7 | 0 | 0 | 0 | 109.8 | ||||
| 19 | S | 34 | Very low | 35.7 | Very low | 101 Ų | 101 | 150.7 Ų | 150.7 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -64.9 | 142.7 | 165 | -176.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 20 | K | 40.9 | Very low | 35.9 | Very low | 202 Ų | 202 | 146.5 Ų | 146.5 | 88% | 0.878 | 78% | 0.78 | S | S | * | * | trans | -157.7 | 123.4 | 155 | -111.7 | 168.2 | -169.7 | 177 | 0 | 110.6 | ||||
| 21 | D | 32.4 | Very low | 36.1 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -72.1 | 147.8 | -174 | -46.8 | -87.9 | 0 | 0 | 0 | 113.4 | ||||
| 22 | S | 36.5 | Very low | 36.1 | Very low | 106 Ų | 106 | 144 Ų | 144 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -162 | 92 | 156.5 | 177.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 23 | L | 36.7 | Very low | 35.9 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | 36.3 | 115.3 | 150.4 | -71.7 | 104.2 | 0 | 0 | 0 | 121.5 | ||||
| 24 | F | 33.2 | Very low | 35.6 | Very low | 174 Ų | 174 | 146.5 Ų | 146.5 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | 26.2 | 121.5 | 123.9 | -70.3 | -86.4 | 0 | 0 | 0 | 119.6 | |||||
| 25 | N | 35 | Very low | 35.6 | Very low | 170 Ų | 170 | 144.8 Ų | 144.8 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | -150.2 | 135.9 | 112.7 | -106.5 | -26.4 | 0 | 0 | 0 | 111.6 | |||||
| 26 | V | 32.5 | Very low | 35.4 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 65% | 0.648 | 78% | 0.775 | S | S | * | * | trans | -108.8 | 127.4 | -178.2 | 170.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 27 | T | 40.1 | Very low | 35.1 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -147.1 | 117 | 144.8 | 45 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 28 | N | 31.4 | Very low | 35.1 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | -63.9 | 158.1 | 164.5 | -64.8 | -42.7 | 0 | 0 | 0 | 109.7 | ||||
| 29 | D | 37.2 | Very low | 34.8 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | -168.3 | 131.9 | 121.2 | -103.6 | -6.4 | 0 | 0 | 0 | 115.1 | |||||
| 30 | N | 39.2 | Very low | 34.6 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 63% | 0.626 | 78% | 0.776 | S | S | * | * | trans | 74.8 | 101.6 | 141.6 | -60.9 | -39.1 | 0 | 0 | 0 | 123.5 | ||||
| 31 | L | 39 | Very low | 34.4 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | 67.1 | 105.1 | 118.1 | -63.8 | 165.7 | 0 | 0 | 0 | 120.3 | |||||
| 32 | N | 36.8 | Very low | 34.3 | Very low | 160 Ų | 160 | 141 Ų | 141 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | -176.1 | 116 | 111.8 | -98 | -28.8 | 0 | 0 | 0 | 112.9 | |||||
| 33 | P | 31.2 | Very low | 34.1 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | trans | -106.1 | 117.9 | 164.1 | 33.9 | -23.1 | 0 | 0 | 0 | 110.6 | ||||
| 34 | M | 31.9 | Very low | 33.9 | Very low | 186 Ų | 186 | 143.6 Ų | 143.6 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | trans | -153.7 | 140.8 | 170.2 | -130.7 | 168.5 | 76.2 | 0 | 0 | 117 | ||||
| 35 | A | 36.7 | Very low | 33.9 | Very low | 74 Ų | 74 | 142 Ų | 142 | 61% | 0.612 | 78% | 0.775 | S | S | * | * | trans | 64.7 | 94.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | F37 | A35-F37 PolarHBondContact O-N 3.09Š| ||
| 36 | I | 27 | Very low | 33.7 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 80% | 0.795 | 76% | 0.762 | S | S | * | * | trans | -48.3 | 129.3 | 142.3 | -63.7 | 160.4 | 0 | 0 | 0 | 109.2 | ||||
| 37 | F | 33.3 | Very low | 33.7 | Very low | 197 Ų | 197 | 139 Ų | 139 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | -134.6 | 115.4 | 151.5 | -110.9 | -84.1 | 0 | 0 | 0 | 109.8 | A35 | A35-F37 PolarHBondContact O-N 3.09Š| ||
| 38 | Q | 32.1 | Very low | 33.4 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | trans | -68.5 | 142.2 | 166.4 | -64.9 | 172.6 | -14.9 | 0 | 0 | 108.5 | ||||
| 39 | N | 33.4 | Very low | 33.7 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | -137.9 | 108.4 | 157.5 | -124.9 | -4.2 | 0 | 0 | 0 | 109.3 | ||||
| 40 | N | 30 | Very low | 33.5 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | -85.2 | 110.7 | -177.8 | -72.7 | -37.2 | 0 | 0 | 0 | 110.4 | ||||
| 41 | H | 37.9 | Very low | 33.1 | Very low | 176 Ų | 176 | 143.6 Ų | 143.6 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | trans | -138.3 | 119.1 | 149.2 | -69.5 | -67.7 | 0 | 0 | 0 | 105.7 | ||||
| 42 | G | 28.9 | Very low | 32.9 | Very low | 76 Ų | 76 | 142.5 Ų | 142.5 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | cis | 104.9 | 51.5 | 20.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 43 | I | 33.7 | Very low | 33 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | -132.4 | 117.5 | 177.3 | -57.6 | -176.9 | 0 | 0 | 0 | 110.3 | ||||
| 44 | H | 31.8 | Very low | 33.2 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | trans | -27.8 | 131.1 | 162.8 | -130.8 | -116.3 | 0 | 0 | 0 | 115.1 | D46 | H44-D46 IonicContact CE1-OD2 3.4Å; H44-D46 PolarHBondContact CE1-OD2 3.23Å; H44-D46 IonicContact ND1-OD2 3.49Å; H44-D46 PolarHBondContact ND1-OD2 3.37Å | ||
| 45 | T | 32 | Very low | 33.4 | Very low | 140 Ų | 140 | 144.5 Ų | 144.5 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | -104 | 83.1 | 165 | 53.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 46 | D | 31.3 | Very low | 33.6 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 63% | 0.631 | 78% | 0.78 | S | S | * | * | trans | -120.4 | 139.9 | 173.9 | -97.7 | -3.2 | 0 | 0 | 0 | 112.2 | H44 | H44-D46 IonicContact CE1-OD2 3.4Å; H44-D46 PolarHBondContact CE1-OD2 3.23Å; H44-D46 IonicContact ND1-OD2 3.49Å; H44-D46 PolarHBondContact ND1-OD2 3.37Å | ||
| 47 | S | 32.8 | Very low | 34 | Very low | 98 Ų | 98 | 147.4 Ų | 147.4 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | trans | 42.3 | 85.6 | 156.9 | -159.2 | 0 | 0 | 0 | 0 | 118.3 | H49 | S47-H49 VanDerWaalsContact C-N 3.26Å; S47-H49 PolarHBondContact O-N 3.15Å | ||
| 48 | F | 33.7 | Very low | 34.3 | Very low | 213 Ų | 213 | 147 Ų | 147 | 93% | 0.934 | 78% | 0.778 | S | S | * | * | trans | -74.9 | 76.9 | 160.4 | -80.4 | -78.9 | 0 | 0 | 0 | 111.5 | ||||
| 49 | H | 36.9 | Very low | 34.5 | Very low | 157 Ų | 157 | 149 Ų | 149 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -68.4 | 134.3 | 159.5 | -101.1 | -56.4 | 0 | 0 | 0 | 110.4 | S47 N51 | S47-H49 VanDerWaalsContact C-N 3.26Å; S47-H49 PolarHBondContact O-N 3.15Å; H49-N51 VanDerWaalsContact C-N 3.31Å; H49-N51 PolarHBondContact O-N 3.07Å | ||
| 50 | S | 33.1 | Very low | 34.7 | Very low | 110 Ų | 110 | 149.5 Ų | 149.5 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -77.5 | 68.5 | -171.6 | -63.5 | 0 | 0 | 0 | 0 | 113.5 | S52 | S50-S52 PolarHBondContact O-N 3.39Š| ||
| 51 | N | 31 | Very low | 35.1 | Very low | 154 Ų | 154 | 152.4 Ų | 152.4 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -74.7 | 75.3 | 170.4 | -77.7 | -7.1 | 0 | 0 | 0 | 111.1 | H49 E53 | H49-N51 VanDerWaalsContact C-N 3.31Å; H49-N51 PolarHBondContact O-N 3.07Å; N51-E53 PolarHBondContact O-N 3.38Å | ||
| 52 | S | 36.2 | Very low | 35.1 | Very low | 115 Ų | 115 | 152.9 Ų | 152.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -88.4 | 26.9 | 171.8 | 67.3 | 0 | 0 | 0 | 0 | 113.6 | S50 | S50-S52 PolarHBondContact O-N 3.39Š| ||
| 53 | E | 37.3 | Very low | 35.4 | Very low | 166 Ų | 166 | 158 Ų | 158 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -130.6 | 96.8 | 175.2 | -64.2 | -169.1 | 150.9 | 0 | 0 | 108.5 | N51 | N51-E53 PolarHBondContact O-N 3.38Š|
| 54 | N | 36.6 | Very low | 35.4 | Very low | 141 Ų | 141 | 158.6 Ų | 158.6 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | trans | 170.1 | -7.8 | 157.4 | -92.3 | -34.8 | 0 | 0 | 0 | 114.3 | M56 | N54-M56 PolarHBondContact O-N 3.48Š| ||
| 55 | F | 35.6 | Very low | 35.9 | Very low | 195 Ų | 195 | 159.8 Ų | 159.8 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 40.3 | -178 | -155.3 | -95.9 | 0 | 0 | 0 | 114.8 | ||
| 56 | M | 40.7 | Very low | 35.9 | Very low | 152 Ų | 152 | 158.4 Ų | 158.4 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139 | 4.1 | -174.8 | -72.7 | -66.3 | -73.4 | 0 | 0 | 115.5 | N54 | N54-M56 PolarHBondContact O-N 3.48Š|
| 57 | N | 36.7 | Very low | 36 | Very low | 137 Ų | 137 | 162.6 Ų | 162.6 | 73% | 0.733 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -109.5 | -1.2 | -170.9 | -78.4 | -16.4 | 0 | 0 | 0 | 117 | ||
| 58 | E | 38.4 | Very low | 36.3 | Very low | 189 Ų | 189 | 163.8 Ų | 163.8 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -115.8 | -15.1 | -176.6 | -85.4 | -177.5 | 130.4 | 0 | 0 | 116.6 | L60 | E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 2.78Å |
| 59 | E | 37.6 | Very low | 36.2 | Very low | 189 Ų | 189 | 158.9 Ų | 158.9 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 22.9 | -173.1 | -133 | -178.3 | 147.2 | 0 | 0 | 114.6 | ||
| 60 | L | 37.1 | Very low | 36.6 | Very low | 164 Ų | 164 | 157.4 Ų | 157.4 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.7 | 25 | -172.4 | -126.2 | 148 | 0 | 0 | 0 | 114.3 | E58 | E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 2.78Å |
| 61 | K | 38.1 | Very low | 37 | Very low | 199 Ų | 199 | 161.8 Ų | 161.8 | 87% | 0.865 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -126.4 | 15.2 | -178.3 | -92.3 | -175.5 | 176 | 177.2 | 0 | 116 | ||
| 62 | Q | 37.5 | Very low | 37.3 | Very low | 187 Ų | 187 | 162 Ų | 162 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -130.5 | 53.6 | -178.8 | -63.1 | -172.6 | 16.1 | 0 | 0 | 113.3 | ||
| 63 | Q | 34.7 | Very low | 37.5 | Very low | 184 Ų | 184 | 161.4 Ų | 161.4 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | -157.1 | 34.6 | 170.3 | -126.3 | 166.2 | 45.1 | 0 | 0 | 116.8 | ||||
| 64 | D | 34.1 | Very low | 37.8 | Very low | 168 Ų | 168 | 162.1 Ų | 162.1 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | trans | -108.4 | 79.3 | 170.8 | -83.1 | -45.9 | 0 | 0 | 0 | 111.9 | ||||
| 65 | H | 41.7 | Very low | 37.8 | Very low | 179 Ų | 179 | 165.1 Ų | 165.1 | 83% | 0.829 | 83% | 0.831 | S | S | * | * | trans | -116.1 | 103.6 | 167.3 | -72.4 | -53.7 | 0 | 0 | 0 | 110.9 | ||||
| 66 | S | 32.3 | Very low | 38.1 | Very low | 112 Ų | 112 | 159.5 Ų | 159.5 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | trans | 43 | 97.8 | 151.6 | 61.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 67 | F | 34 | Very low | 38 | Very low | 205 Ų | 205 | 160.5 Ų | 160.5 | 90% | 0.899 | 83% | 0.825 | S | S | * | * | trans | -147.4 | 110.4 | 137.4 | -143.8 | -96.8 | 0 | 0 | 0 | 112.7 | S69 | F67-S69 PolarHBondContact O-N 3.25Š| ||
| 68 | T | 38.5 | Very low | 38.5 | Very low | 123 Ų | 123 | 160 Ų | 160 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | trans | -75.7 | 114.5 | 175.4 | 34.8 | 0 | 0 | 0 | 0 | 110.6 | T70 | T68-T70 PolarHBondContact O-N 3.43Š| ||
| 69 | S | 33.3 | Very low | 38.9 | Very low | 111 Ų | 111 | 156.8 Ų | 156.8 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | trans | -86.6 | 85.8 | 174.3 | -171.7 | 0 | 0 | 0 | 0 | 111 | F67 | F67-S69 PolarHBondContact O-N 3.25Š| ||
| 70 | T | 44.3 | Very low | 39.5 | Very low | 126 Ų | 126 | 157.1 Ų | 157.1 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -94.8 | 117.5 | 162.2 | 44.8 | 0 | 0 | 0 | 0 | 109.8 | T68 N72 | T68-T70 PolarHBondContact O-N 3.43Å; T70-N72 PolarHBondContact O-N 3Å | ||
| 71 | K | 42.3 | Very low | 39.8 | Very low | 202 Ų | 202 | 158.5 Ų | 158.5 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | trans | -65.6 | 122.3 | 177.8 | -63.1 | 167 | -178.7 | 171.1 | 0 | 109.3 | ||||
| 72 | N | 36.7 | Very low | 40.2 | Very low | 159 Ų | 159 | 158.3 Ų | 158.3 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | -138.8 | 112.9 | 159.8 | -116.3 | -16.6 | 0 | 0 | 0 | 110.6 | T70 | T70-N72 PolarHBondContact O-N 3Š| ||
| 73 | A | 39.3 | Very low | 40.9 | Very low | 101 Ų | 101 | 158.4 Ų | 158.4 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | -95.7 | 103.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 74 | Q | 44.9 | Very low | 41.4 | Very low | 181 Ų | 181 | 159 Ų | 159 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -128.4 | 78.2 | 169.1 | -78.6 | -170.4 | -23.9 | 0 | 0 | 112 | G76 | Q74-G76 PolarHBondContact O-N 3.41Š| ||
| 75 | R | 36.4 | Very low | 41.4 | Very low | 205 Ų | 205 | 157 Ų | 157 | 77% | 0.774 | 82% | 0.818 | S | S | * | * | 24.8 | 85.1 | 128.2 | -159.5 | 177.7 | -165.8 | -162 | -1.6 | 116.6 | Y77 | R75-Y77 HydrophobicContact CG-CD2 4.17Å; R75-Y77 HydrophobicContact CG-CE2 3.73Å; R75-Y77 PolarHBondContact NE-OH 2.93Å; R75-Y77 VanDerWaalsContact NE-OH 3.15Å; R75-Y77 PolarHBondContact NH2-OH 3.37Å | |||
| 76 | G | 41.9 | Very low | 41.6 | Very low | 77 Ų | 77 | 153.2 Ų | 153.2 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | -103.3 | 102.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q74 | Q74-G76 PolarHBondContact O-N 3.41Š| ||
| 77 | Y | 39.3 | Very low | 42.1 | Very low | 173 Ų | 173 | 154.4 Ų | 154.4 | 68% | 0.678 | 82% | 0.82 | S | S | * | * | trans | -81.5 | 124.8 | 169 | -69.6 | -76 | 0 | 0 | 0 | 110.1 | R75 | R75-Y77 HydrophobicContact CG-CD2 4.17Å; R75-Y77 HydrophobicContact CG-CE2 3.73Å; R75-Y77 PolarHBondContact NE-OH 2.93Å; R75-Y77 VanDerWaalsContact NE-OH 3.15Å; R75-Y77 PolarHBondContact NH2-OH 3.37Å | ||
| 78 | V | 45.8 | Very low | 43 | Very low | 126 Ų | 126 | 149.5 Ų | 149.5 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | -122 | 99.6 | 163.4 | -179.7 | 0 | 0 | 0 | 0 | 108.5 | K80 | V78-K80 PolarHBondContact O-N 3.45Š| ||
| 79 | T | 46.4 | Very low | 43.3 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -82.7 | 106.7 | 172.4 | 43.6 | 0 | 0 | 0 | 0 | 109.6 | K81 | T79-K81 PolarHBondContact O-N 3.2Š| ||
| 80 | K | 50.4 | Low | 43.9 | Very low | 195 Ų | 195 | 151.8 Ų | 151.8 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | trans | -83.3 | 106.9 | 164.3 | -76.3 | -170.6 | 175.2 | -176.7 | 0 | 108.7 | V78 | V78-K80 PolarHBondContact O-N 3.45Š| ||
| 81 | K | 44.9 | Very low | 44.1 | Very low | 194 Ų | 194 | 152.3 Ų | 152.3 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -62.6 | 140.3 | 175 | -74.8 | 177.5 | 173.6 | 176.5 | 0 | 110.3 | T79 Q83 | T79-K81 PolarHBondContact O-N 3.2Å; K81-Q83 PolarHBondContact O-N 3.39Å | ||
| 82 | H | 45.8 | Very low | 44.2 | Very low | 195 Ų | 195 | 147.7 Ų | 147.7 | 90% | 0.903 | 82% | 0.815 | S | S | * | * | trans | -59.2 | 132.7 | 163.8 | -77.7 | -98.4 | 0 | 0 | 0 | 109.9 | ||||
| 83 | Q | 52.1 | Low | 44.9 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -106.1 | 129.6 | 158.7 | -166.7 | 158.2 | 2.2 | 0 | 0 | 108.2 | K81 | K81-Q83 PolarHBondContact O-N 3.39Š| ||
| 84 | K | 45.1 | Very low | 45.2 | Very low | 197 Ų | 197 | 150 Ų | 150 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | trans | -87.9 | 122.6 | -168.2 | -176.2 | 179 | -179.5 | -178.8 | 0 | 109.5 | ||||
| 85 | C | 34.6 | Very low | 45.1 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 86% | 0.858 | 82% | 0.815 | S | S | * | * | trans | -70.6 | 139.7 | 171.2 | -57.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 86 | A | 46.5 | Very low | 45.4 | Very low | 99 Ų | 99 | 147.4 Ų | 147.4 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -124.2 | 141.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 87 | T | 42.6 | Very low | 45.9 | Very low | 136 Ų | 136 | 151 Ų | 151 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | trans | -63.4 | 141.1 | -175.6 | 47 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 88 | S | 52.5 | Low | 46.4 | Very low | 103 Ų | 103 | 149.9 Ų | 149.9 | 72% | 0.72 | 82% | 0.822 | S | S | * | * | 174.3 | 118.4 | 115.5 | 54.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 89 | D | 44.4 | Very low | 46.4 | Very low | 158 Ų | 158 | 150.6 Ų | 150.6 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | trans | 25.5 | 121.1 | 134.8 | -42.6 | -32.4 | 0 | 0 | 0 | 121 | ||||
| 90 | S | 45.9 | Very low | 46.7 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | trans | -162.3 | 132.1 | 132.3 | 55.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 91 | V | 49.2 | Very low | 46.9 | Very low | 137 Ų | 137 | 146.6 Ų | 146.6 | 83% | 0.83 | 82% | 0.818 | S | S | * | * | trans | -66.2 | 158 | -172.7 | -168.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 92 | S | 43.7 | Very low | 47.3 | Very low | 105 Ų | 105 | 144.4 Ų | 144.4 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | trans | 76.9 | 115.3 | 148.9 | -108 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 93 | S | 50.9 | Low | 48.1 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | 173.2 | 144.5 | 94.8 | -71.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 94 | Q | 46.5 | Very low | 48.3 | Very low | 195 Ų | 195 | 136.2 Ų | 136.2 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | -69.8 | 145.3 | 176.5 | -108.3 | 118 | -34.4 | 0 | 0 | 113.9 | ||||
| 95 | C | 42.5 | Very low | 48.6 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -152.6 | 153.6 | 142.5 | 57.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 96 | F | 41.9 | Very low | 49.6 | Very low | 209 Ų | 209 | 129.4 Ų | 129.4 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | trans | -72.1 | 138.1 | -172.7 | -87.2 | -122.9 | 0 | 0 | 0 | 113.6 | ||||
| 97 | I | 53.2 | Low | 50.2 | Low | 152 Ų | 152 | 132 Ų | 132 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | -141.1 | 117.3 | 154.4 | -59.2 | -175.8 | 0 | 0 | 0 | 110.6 | ||||
| 98 | E | 50 | Low | 50.9 | Low | 150 Ų | 150 | 136.4 Ų | 136.4 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | 29.1 | 128.3 | 142.1 | -155.5 | 168.8 | -146.8 | 0 | 0 | 121.5 | S100 | E98-S100 PolarHBondContact O-N 2.82Š| ||
| 99 | P | 45.3 | Very low | 51.1 | Low | 142 Ų | 142 | 142.4 Ų | 142.4 | 92% | 0.922 | 79% | 0.789 | S | S | * | * | trans | -76.4 | 71.9 | 171.6 | 34.4 | -34.9 | 0 | 0 | 0 | 111.3 | ||||
| 100 | S | 52.5 | Low | 51.5 | Low | 79 Ų | 79 | 146.6 Ų | 146.6 | 55% | 0.552 | 79% | 0.793 | S | S | * | * | trans | -93.3 | 133.3 | 175.3 | 63.9 | 0 | 0 | 0 | 0 | 111.8 | E98 | E98-S100 PolarHBondContact O-N 2.82Š| ||
| 101 | L | 54.7 | Low | 52.7 | Low | 153 Ų | 153 | 143.2 Ų | 143.2 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | trans | 49.3 | 91.8 | 160.2 | -57.5 | 174.2 | 0 | 0 | 0 | 116.4 | V103 | L101-V103 HydrophobicContact CB-CG2 4.36Å; L101-V103 PolarHBondContact O-N 2.82Å | ||
| 102 | V | 54.3 | Low | 53.9 | Low | 148 Ų | 148 | 142.7 Ų | 142.7 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | -64.7 | 83.9 | 151.7 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | P104 | V102-P104 WeakPolarHBondContact O-CD 3.36Š| ||
| 103 | V | 61.6 | Low | 54.9 | Low | 96 Ų | 96 | 147.2 Ų | 147.2 | 58% | 0.582 | 78% | 0.784 | S | S | * | * | trans | -61.9 | 123 | 162.7 | 176.1 | 0 | 0 | 0 | 0 | 106 | L101 T105 | L101-V103 HydrophobicContact CB-CG2 4.36Å; L101-V103 PolarHBondContact O-N 2.82Å; V103-T105 VanDerWaalsContact C-N 3.28Å; V103-T105 HydrophobicContact CG1-CG2 4.46Å; V103-T105 PolarHBondContact O-N 3.13Å | ||
| 104 | P | 56.8 | Low | 55.9 | Low | 115 Ų | 115 | 151.6 Ų | 151.6 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | trans | -68.3 | 96.1 | 170.1 | 13.8 | -7.6 | 0 | 0 | 0 | 107.5 | V102 G106 | V102-P104 WeakPolarHBondContact O-CD 3.36Å; P104-G106 PolarHBondContact O-N 3.33Å | ||
| 105 | T | 51 | Low | 57.3 | Low | 124 Ų | 124 | 151.4 Ų | 151.4 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | trans | -71.2 | 38 | 166.4 | 50.2 | 0 | 0 | 0 | 0 | 111.1 | V103 I107 | V103-T105 VanDerWaalsContact C-N 3.28Å; V103-T105 HydrophobicContact CG1-CG2 4.46Å; V103-T105 PolarHBondContact O-N 3.13Å; T105-I107 VanDerWaalsContact C-N 3.3Å; T105-I107 PolarHBondContact O-N 3.06Å | ||
| 106 | G | 56.2 | Low | 58.9 | Low | 58 Ų | 58 | 151.7 Ų | 151.7 | 60% | 0.598 | 79% | 0.785 | S | S | * | * | trans | -60 | 99.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | P104 R108 | P104-G106 PolarHBondContact O-N 3.33Å; G106-R108 PolarHBondContact O-N 2.93Å | ||
| 107 | I | 58.8 | Low | 60.7 | Low | 154 Ų | 154 | 145.5 Ų | 145.5 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -59.4 | 91 | 168.7 | -61.8 | 173 | 0 | 0 | 0 | 105.7 | T105 R109 | T105-I107 VanDerWaalsContact C-N 3.3Å; T105-I107 PolarHBondContact O-N 3.06Å; I107-R109 PolarHBondContact O-N 2.86Å | ||
| 108 | R | 56.7 | Low | 62.3 | Low | 228 Ų | 228 | 141.6 Ų | 141.6 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | trans | -59.9 | 93.8 | 171.6 | -75 | -173.1 | 175.5 | -131 | -0.2 | 106 | G106 R110 | G106-R108 PolarHBondContact O-N 2.93Å; R108-R110 PolarHBondContact O-N 3.35Å | ||
| 109 | R | 56.4 | Low | 64.1 | Low | 228 Ų | 228 | 141 Ų | 141 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | trans | -51.5 | 109.8 | 176.4 | -73.9 | -166.6 | 178.3 | -173.8 | 4.1 | 105.7 | I107 G111 | I107-R109 PolarHBondContact O-N 2.86Å; R109-G111 PolarHBondContact O-N 2.6Å | ||
| 110 | R | 53 | Low | 66.3 | Low | 247 Ų | 247 | 140 Ų | 140 | 93% | 0.932 | 73% | 0.728 | S | S | * | * | trans | -71.2 | 86.7 | -175.5 | -68.3 | -176.8 | 178 | -172.6 | -1.2 | 106.6 | R108 | R108-R110 PolarHBondContact O-N 3.35Š| ||
| 111 | G | 71.2 | Confident | 68.2 | Low | 52 Ų | 52 | 143.7 Ų | 143.7 | 54% | 0.536 | 73% | 0.729 | S | S | . | * | trans | -52.2 | 156.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110 | R109 K113 | R109-G111 PolarHBondContact O-N 2.6Å; G111-K113 PolarHBondContact O-N 2.75Å; G111-K113 VanDerWaalsContact O-N 3.09Å | ||
| 112 | P | 74.8 | Confident | 70 | Confident | 126 Ų | 126 | 138.5 Ų | 138.5 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | trans | -45.5 | 122.2 | -175.6 | -29.3 | 34.9 | 0 | 0 | 0 | 110.8 | K114 | P112-K114 PolarHBondContact O-N 2.77Š| ||
| 113 | K | 64 | Low | 71.9 | Confident | 201 Ų | 201 | 134.7 Ų | 134.7 | 87% | 0.874 | 68% | 0.681 | S | S | * | * | trans | -50.9 | 107.9 | -179 | -87.5 | -173.9 | 172.1 | -176.7 | 0 | 108.1 | G111 K115 | G111-K113 PolarHBondContact O-N 2.75Å; G111-K113 VanDerWaalsContact O-N 3.09Å; K113-K115 PolarHBondContact O-N 2.8Å | ||
| 114 | K | 72.9 | Confident | 73.5 | Confident | 205 Ų | 205 | 135.9 Ų | 135.9 | 89% | 0.891 | 68% | 0.675 | S | S | * | * | trans | -56.2 | 114.5 | 175.9 | -72.1 | -176.8 | 176.7 | 179.5 | 0 | 106.8 | P112 | P112-K114 PolarHBondContact O-N 2.77Š| ||
| 115 | K | 75.3 | Confident | 75.3 | Confident | 192 Ų | 192 | 134.3 Ų | 134.3 | 84% | 0.835 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 139.6 | 173.8 | -68.2 | -177.9 | 178.7 | 179.2 | 0 | 107.4 | K113 D117 | K113-K115 PolarHBondContact O-N 2.8Å; K115-D117 PolarHBondContact O-N 3.13Å |
| 116 | P | 76.5 | Confident | 77.5 | Confident | 127 Ų | 127 | 135 Ų | 135 | 83% | 0.825 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 139.7 | 171 | 26.4 | -34 | 0 | 0 | 0 | 108.2 | ||
| 117 | D | 79 | Confident | 79.4 | Confident | 78 Ų | 78 | 137.4 Ų | 137.4 | 42% | 0.417 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -69.1 | 147.5 | -174.7 | -164.6 | 17 | 0 | 0 | 0 | 110.7 | K115 Q119 R121 V122 | K115-D117 PolarHBondContact O-N 3.13Å; D117-Q119 PolarHBondContact O-N 2.83Å; D117-R121 VanDerWaalsContact OD1-CB 3.27Å; D117-R121 WeakPolarHBondContact OD1-CB 3.43Å; D117-R121 WeakPolarHBondContact OD1-CD 3.33Å; D117-R121 IonicContact OD1-NE 3Å; D117-R121 PolarHBondContact OD1-NE 3.46Å; D117-R121 WeakPolarHBondContact OD2-CB 3.38Å; D117-R121 VanDerWaalsContact OD2-CD 3.25Å; D117-R121 WeakPolarHBondContact OD2-CD 3.22Å; D117-R121 VanDerWaalsContact OD2-CG 3.25Å; D117-R121 WeakPolarHBondContact OD2-CG 3.45Å; D117-V122 HydrophobicContact CB-CG2 3.8Å |
| 118 | S | 87.1 | Confident | 81.2 | Confident | 71 Ų | 71 | 138.2 Ų | 138.2 | 50% | 0.497 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 136 | 175 | 174.1 | 0 | 0 | 0 | 0 | 108.9 | E120 R121 V122 | S118-E120 PolarHBondContact O-N 3.42Å; S118-E120 VanDerWaalsContact O-N 3.08Å; S118-E120 PolarHBondContact OG-N 3.41Å; S118-R121 WeakPolarHBondContact O-CA 3.41Å; S118-R121 PolarHBondContact O-N 2.89Å; S118-V122 PolarHBondContact O-N 2.85Å |
| 119 | Q | 89.2 | Confident | 83.1 | Confident | 136 Ų | 136 | 135.2 Ų | 135.2 | 64% | 0.636 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -52.4 | -35.9 | 178.2 | -175.8 | 67.2 | -10.8 | 0 | 0 | 111.6 | D117 V122 V123 | D117-Q119 PolarHBondContact O-N 2.83Å; Q119-V122 PolarHBondContact O-N 3.11Å; Q119-V123 VanDerWaalsContact O-CG2 3.32Å; Q119-V123 WeakPolarHBondContact O-CG2 3.42Å; Q119-V123 PolarHBondContact O-N 2.81Å |
| 120 | E | 90.6 | Very high | 85.1 | Confident | 122 Ų | 122 | 127 Ų | 127 | 57% | 0.57 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.3 | -42 | 174.5 | -161.7 | -152.5 | 167.3 | 0 | 0 | 112.7 | S118 V123 R124 | S118-E120 PolarHBondContact O-N 3.42Å; S118-E120 VanDerWaalsContact O-N 3.08Å; S118-E120 PolarHBondContact OG-N 3.41Å; E120-V123 PolarHBondContact O-N 2.6Å; E120-R124 VanDerWaalsContact O-CB 3.27Å; E120-R124 WeakPolarHBondContact O-CB 3.25Å; E120-R124 PolarHBondContact O-N 2.87Å; E120-R124 IonicContact OE1-CZ 3.81Å; E120-R124 IonicContact OE1-NH2 2.81Å; E120-R124 PolarHBondContact OE1-NH2 2.72Å; E120-R124 IonicContact OE2-NH2 3.18Å; E120-R124 PolarHBondContact OE2-NH2 3.12Å |
| 121 | R | 92.1 | Very high | 87.2 | Confident | 156 Ų | 156 | 123 Ų | 123 | 59% | 0.589 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69 | -38.2 | 175.4 | -173.2 | -175.4 | -53.4 | -147.8 | -3.9 | 110.8 | D117 S118 R124 M125 | D117-R121 VanDerWaalsContact OD1-CB 3.27Å; D117-R121 WeakPolarHBondContact OD1-CB 3.43Å; D117-R121 WeakPolarHBondContact OD1-CD 3.33Å; D117-R121 IonicContact OD1-NE 3Å; D117-R121 PolarHBondContact OD1-NE 3.46Å; D117-R121 WeakPolarHBondContact OD2-CB 3.38Å; D117-R121 VanDerWaalsContact OD2-CD 3.25Å; D117-R121 WeakPolarHBondContact OD2-CD 3.22Å; D117-R121 VanDerWaalsContact OD2-CG 3.25Å; D117-R121 WeakPolarHBondContact OD2-CG 3.45Å; S118-R121 WeakPolarHBondContact O-CA 3.41Å; S118-R121 PolarHBondContact O-N 2.89Å; R121-R124 PolarHBondContact O-N 3.05Å; R121-M125 VanDerWaalsContact O-CB 3.25Å; R121-M125 WeakPolarHBondContact O-CB 3.45Å; R121-M125 PolarHBondContact O-N 3.19Å |
| 122 | V | 93 | Very high | 88.4 | Confident | 44 Ų | 44 | 122.2 Ų | 122.2 | 27% | 0.267 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -59.7 | -47.2 | 174.2 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | D117 S118 Q119 M125 K126 | D117-V122 HydrophobicContact CB-CG2 3.8Å; S118-V122 PolarHBondContact O-N 2.85Å; Q119-V122 PolarHBondContact O-N 3.11Å; V122-M125 PolarHBondContact O-N 3.47Å; V122-K126 WeakPolarHBondContact O-CG 3.49Å; V122-K126 PolarHBondContact O-N 3.16Å |
| 123 | V | 94.7 | Very high | 89.6 | Confident | 69 Ų | 69 | 120.7 Ų | 120.7 | 42% | 0.418 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.2 | -46.9 | 175.3 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | Q119 E120 M125 K126 M127 | Q119-V123 VanDerWaalsContact O-CG2 3.32Å; Q119-V123 WeakPolarHBondContact O-CG2 3.42Å; Q119-V123 PolarHBondContact O-N 2.81Å; E120-V123 PolarHBondContact O-N 2.6Å; V123-M125 VanDerWaalsContact C-N 3.27Å; V123-M125 PolarHBondContact O-N 3.26Å; V123-K126 WeakPolarHBondContact O-CB 3.36Å; V123-K126 PolarHBondContact O-N 3.25Å; V123-M127 PolarHBondContact O-N 3.35Å |
| 124 | R | 94.8 | Very high | 91.2 | Very high | 121 Ų | 121 | 113.2 Ų | 113.2 | 46% | 0.457 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.3 | -35.4 | 177.3 | -162.4 | -175.9 | -61.8 | 162.7 | -1.1 | 112.2 | E120 R121 R128 | E120-R124 VanDerWaalsContact O-CB 3.27Å; E120-R124 WeakPolarHBondContact O-CB 3.25Å; E120-R124 PolarHBondContact O-N 2.87Å; E120-R124 IonicContact OE1-CZ 3.81Å; E120-R124 IonicContact OE1-NH2 2.81Å; E120-R124 PolarHBondContact OE1-NH2 2.72Å; E120-R124 IonicContact OE2-NH2 3.18Å; E120-R124 PolarHBondContact OE2-NH2 3.12Å; R121-R124 PolarHBondContact O-N 3.05Å; R124-R128 VanDerWaalsContact O-CG 3.32Å; R124-R128 WeakPolarHBondContact O-CG 3.37Å; R124-R128 PolarHBondContact O-N 2.75Å |
| 125 | M | 94.2 | Very high | 92.4 | Very high | 81 Ų | 81 | 110.8 Ų | 110.8 | 40% | 0.399 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70 | -44.3 | 174.3 | -175.6 | 62.7 | 71.7 | 0 | 0 | 111.6 | R121 V122 V123 M127 R128 R129 | R121-M125 VanDerWaalsContact O-CB 3.25Å; R121-M125 WeakPolarHBondContact O-CB 3.45Å; R121-M125 PolarHBondContact O-N 3.19Å; V122-M125 PolarHBondContact O-N 3.47Å; V123-M125 VanDerWaalsContact C-N 3.27Å; V123-M125 PolarHBondContact O-N 3.26Å; M125-M127 VanDerWaalsContact C-N 3.34Å; M125-M127 PolarHBondContact O-N 2.97Å; M125-R128 PolarHBondContact O-N 2.57Å; M125-R129 WeakPolarHBondContact O-CG 3.5Å; M125-R129 PolarHBondContact O-N 3.21Å |
| 126 | K | 96.6 | Very high | 93.5 | Very high | 138 Ų | 138 | 105.5 Ų | 105.5 | 60% | 0.6 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -56.6 | -46.8 | 172.4 | -75.2 | 179.1 | 176.4 | -174.8 | 0 | 111 | V122 V123 R128 R129 A130 | V122-K126 WeakPolarHBondContact O-CG 3.49Å; V122-K126 PolarHBondContact O-N 3.16Å; V123-K126 WeakPolarHBondContact O-CB 3.36Å; V123-K126 PolarHBondContact O-N 3.25Å; K126-R128 PolarHBondContact O-N 2.79Å; K126-R129 PolarHBondContact O-N 3.14Å; K126-A130 WeakPolarHBondContact O-CB 3.37Å; K126-A130 PolarHBondContact O-N 3.38Å |
| 127 | M | 95.8 | Very high | 94.6 | Very high | 110 Ų | 110 | 107.1 Ų | 107.1 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 178.8 | -174.8 | 53.9 | 169.7 | 0 | 0 | 112.7 | V123 M125 R129 A130 R131 | V123-M127 PolarHBondContact O-N 3.35Å; M125-M127 VanDerWaalsContact C-N 3.34Å; M125-M127 PolarHBondContact O-N 2.97Å; M127-R129 PolarHBondContact O-N 3.49Å; M127-A130 PolarHBondContact O-N 2.87Å; M127-R131 PolarHBondContact O-N 3.26Å |
| 128 | R | 97.6 | Very high | 95.5 | Very high | 170 Ų | 170 | 107.3 Ų | 107.3 | 64% | 0.642 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.2 | -42.2 | 173.8 | -75.8 | 174 | 178.4 | -166.5 | -2.2 | 112.2 | R124 M125 K126 A132 | R124-R128 VanDerWaalsContact O-CG 3.32Å; R124-R128 WeakPolarHBondContact O-CG 3.37Å; R124-R128 PolarHBondContact O-N 2.75Å; M125-R128 PolarHBondContact O-N 2.57Å; K126-R128 PolarHBondContact O-N 2.79Å; R128-A132 WeakPolarHBondContact O-CB 3.33Å; R128-A132 PolarHBondContact O-N 3.19Å |
| 129 | R | 97 | Very high | 96 | Very high | 165 Ų | 165 | 111.8 Ų | 111.8 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.5 | -45.8 | 174.7 | -70 | 174.8 | -178 | -169.3 | -0.9 | 111.8 | M125 K126 M127 R131 A132 N133 | M125-R129 WeakPolarHBondContact O-CG 3.5Å; M125-R129 PolarHBondContact O-N 3.21Å; K126-R129 PolarHBondContact O-N 3.14Å; M127-R129 PolarHBondContact O-N 3.49Å; R129-R131 PolarHBondContact O-N 2.9Å; R129-A132 PolarHBondContact O-N 3.42Å; R129-A132 VanDerWaalsContact O-N 3.16Å; R129-N133 VanDerWaalsContact O-CG 3.26Å; R129-N133 PolarHBondContact O-N 3.49Å; R129-N133 PolarHBondContact O-OD1 3.28Å |
| 130 | A | 97 | Very high | 96.4 | Very high | 55 Ų | 55 | 108.6 Ų | 108.6 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.4 | -47 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K126 M127 A132 N133 A134 | K126-A130 WeakPolarHBondContact O-CB 3.37Å; K126-A130 PolarHBondContact O-N 3.38Å; M127-A130 PolarHBondContact O-N 2.87Å; A130-A132 VanDerWaalsContact C-N 3.34Å; A130-A132 PolarHBondContact O-N 3.18Å; A130-N133 PolarHBondContact O-N 2.88Å; A130-A134 PolarHBondContact O-N 3.42Å |
| 131 | R | 97.6 | Very high | 96.8 | Very high | 165 Ų | 165 | 108.7 Ų | 108.7 | 62% | 0.623 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.4 | -35 | 175.5 | -169.8 | -178.3 | -77.4 | -171.8 | -5.6 | 112.6 | M127 R129 R135 | M127-R131 PolarHBondContact O-N 3.26Å; R129-R131 PolarHBondContact O-N 2.9Å; R131-R135 WeakPolarHBondContact O-CG 3.4Å; R131-R135 PolarHBondContact O-N 3.02Å; R131-R135 PolarHBondContact O-NH1 3.26Å |
| 132 | A | 97.8 | Very high | 97 | Very high | 34 Ų | 34 | 103.3 Ų | 103.3 | 28% | 0.281 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.1 | -46.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | R128 R129 A130 A134 R135 E136 | R128-A132 WeakPolarHBondContact O-CB 3.33Å; R128-A132 PolarHBondContact O-N 3.19Å; R129-A132 PolarHBondContact O-N 3.42Å; R129-A132 VanDerWaalsContact O-N 3.16Å; A130-A132 VanDerWaalsContact C-N 3.34Å; A130-A132 PolarHBondContact O-N 3.18Å; A132-A134 VanDerWaalsContact C-N 3.29Å; A132-A134 PolarHBondContact O-N 3.46Å; A132-R135 PolarHBondContact O-N 3.39Å; A132-E136 PolarHBondContact O-N 3.05Å |
| 133 | N | 98.4 | Very high | 97.2 | Very high | 94 Ų | 94 | 105.5 Ų | 105.5 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62 | -36.7 | 176.8 | -66.7 | 0.4 | 0 | 0 | 0 | 111.9 | R129 A130 E136 R137 | R129-N133 VanDerWaalsContact O-CG 3.26Å; R129-N133 PolarHBondContact O-N 3.49Å; R129-N133 PolarHBondContact O-OD1 3.28Å; A130-N133 PolarHBondContact O-N 2.88Å; N133-E136 PolarHBondContact O-N 2.97Å; N133-R137 WeakPolarHBondContact O-CG 3.32Å; N133-R137 PolarHBondContact O-N 2.74Å |
| 134 | A | 98.4 | Very high | 97.3 | Very high | 45 Ų | 45 | 104.6 Ų | 104.6 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | A130 A132 E136 R137 S138 | A130-A134 PolarHBondContact O-N 3.42Å; A132-A134 VanDerWaalsContact C-N 3.29Å; A132-A134 PolarHBondContact O-N 3.46Å; A134-E136 PolarHBondContact O-N 3.16Å; A134-R137 PolarHBondContact O-N 2.94Å; A134-S138 PolarHBondContact O-N 2.95Å; A134-S138 VanDerWaalsContact O-N 3.09Å; A134-S138 PolarHBondContact O-OG 3.36Å |
| 135 | R | 98.4 | Very high | 97.2 | Very high | 153 Ų | 153 | 102.5 Ų | 102.5 | 58% | 0.577 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.5 | -42.7 | 175.9 | -67.3 | -168.7 | -51 | -86.3 | 5.5 | 112.5 | R131 A132 R137 S138 R139 | R131-R135 WeakPolarHBondContact O-CG 3.4Å; R131-R135 PolarHBondContact O-N 3.02Å; R131-R135 PolarHBondContact O-NH1 3.26Å; A132-R135 PolarHBondContact O-N 3.39Å; R135-R137 VanDerWaalsContact C-N 3.35Å; R135-R137 PolarHBondContact O-N 3.43Å; R135-S138 PolarHBondContact O-N 3.3Å; R135-R139 PolarHBondContact O-N 3.43Å |
| 136 | E | 98.4 | Very high | 97.3 | Very high | 82 Ų | 82 | 101.7 Ų | 101.7 | 38% | 0.383 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66 | -36.9 | 179.1 | -176.6 | 57.7 | -162.3 | 0 | 0 | 112 | A132 N133 A134 R139 M140 | A132-E136 PolarHBondContact O-N 3.05Å; N133-E136 PolarHBondContact O-N 2.97Å; A134-E136 PolarHBondContact O-N 3.16Å; E136-R139 PolarHBondContact O-N 3.39Å; E136-R139 IonicContact OE1-CZ 3.73Å; E136-R139 IonicContact OE1-NH1 2.61Å; E136-R139 PolarHBondContact OE1-NH1 2.84Å; E136-R139 WeakPolarHBondContact OE2-CD 3.22Å; E136-R139 IonicContact OE2-CZ 3.9Å; E136-R139 IonicContact OE2-NH1 2.91Å; E136-R139 PolarHBondContact OE2-NH1 3.44Å; E136-M140 WeakPolarHBondContact O-CB 3.33Å; E136-M140 WeakPolarHBondContact O-CG 3.25Å; E136-M140 PolarHBondContact O-N 2.77Å |
| 137 | R | 98.4 | Very high | 97.1 | Very high | 161 Ų | 161 | 95.8 Ų | 95.8 | 61% | 0.608 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.5 | -49.3 | 170.6 | -71 | 175.6 | -170.3 | 139.7 | -2.7 | 111.3 | N133 A134 R135 R139 M140 H141 | N133-R137 WeakPolarHBondContact O-CG 3.32Å; N133-R137 PolarHBondContact O-N 2.74Å; A134-R137 PolarHBondContact O-N 2.94Å; R135-R137 VanDerWaalsContact C-N 3.35Å; R135-R137 PolarHBondContact O-N 3.43Å; R137-R139 VanDerWaalsContact C-N 3.33Å; R137-R139 PolarHBondContact O-N 3.25Å; R137-M140 CarbonylContact O-C 3.6Å; R137-M140 PolarHBondContact O-N 2.92Å; R137-M140 VanDerWaalsContact O-N 3.13Å; R137-H141 PolarHBondContact O-CD2 3.24Å; R137-H141 PolarHBondContact O-N 3.04Å |
| 138 | S | 98.3 | Very high | 96.9 | Very high | 82 Ų | 82 | 93.3 Ų | 93.3 | 57% | 0.573 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -57.8 | -43.3 | 177.9 | -57.7 | 0 | 0 | 0 | 0 | 112.4 | A134 R135 H141 G142 | A134-S138 PolarHBondContact O-N 2.95Å; A134-S138 VanDerWaalsContact O-N 3.09Å; A134-S138 PolarHBondContact O-OG 3.36Å; R135-S138 PolarHBondContact O-N 3.3Å; S138-H141 PolarHBondContact O-N 3.38Å; S138-G142 PolarHBondContact O-N 3.25Å; S138-G142 VanDerWaalsContact O-N 3.11Å |
| 139 | R | 98.5 | Very high | 96.6 | Very high | 165 Ų | 165 | 87.1 Ų | 87.1 | 62% | 0.623 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -59.5 | -46.4 | 173.1 | 174 | 177.4 | 166.9 | -124.1 | 1 | 112 | R135 E136 R137 H141 G142 L143 | R135-R139 PolarHBondContact O-N 3.43Å; E136-R139 PolarHBondContact O-N 3.39Å; E136-R139 IonicContact OE1-CZ 3.73Å; E136-R139 IonicContact OE1-NH1 2.61Å; E136-R139 PolarHBondContact OE1-NH1 2.84Å; E136-R139 WeakPolarHBondContact OE2-CD 3.22Å; E136-R139 IonicContact OE2-CZ 3.9Å; E136-R139 IonicContact OE2-NH1 2.91Å; E136-R139 PolarHBondContact OE2-NH1 3.44Å; R137-R139 VanDerWaalsContact C-N 3.33Å; R137-R139 PolarHBondContact O-N 3.25Å; R139-H141 VanDerWaalsContact C-N 3.35Å; R139-H141 PolarHBondContact O-N 2.83Å; R139-G142 PolarHBondContact O-N 3.35Å; R139-L143 PolarHBondContact O-N 3.46Å; R139-L143 VanDerWaalsContact O-N 3.08Å |
| 140 | M | 98 | Very high | 96.3 | Very high | 69 Ų | 69 | 82 Ų | 82 | 34% | 0.34 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.1 | -32.2 | 178.6 | -74.7 | -59.3 | -59.6 | 0 | 0 | 113.2 | E136 R137 N144 | E136-M140 WeakPolarHBondContact O-CB 3.33Å; E136-M140 WeakPolarHBondContact O-CG 3.25Å; E136-M140 PolarHBondContact O-N 2.77Å; R137-M140 CarbonylContact O-C 3.6Å; R137-M140 PolarHBondContact O-N 2.92Å; R137-M140 VanDerWaalsContact O-N 3.13Å; M140-N144 WeakPolarHBondContact O-CB 3.47Å; M140-N144 PolarHBondContact O-N 3.12Å; M140-N144 PolarHBondContact O-ND2 3.15Å |
| 141 | H | 97.3 | Very high | 96 | Very high | 123 Ų | 123 | 81.5 Ų | 81.5 | 57% | 0.569 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.2 | -47.4 | 170.4 | -74.2 | -66.6 | 0 | 0 | 0 | 111.1 | R137 S138 R139 L143 N144 S145 | R137-H141 PolarHBondContact O-CD2 3.24Å; R137-H141 PolarHBondContact O-N 3.04Å; S138-H141 PolarHBondContact O-N 3.38Å; R139-H141 VanDerWaalsContact C-N 3.35Å; R139-H141 PolarHBondContact O-N 2.83Å; H141-L143 VanDerWaalsContact C-N 3.34Å; H141-L143 PolarHBondContact O-N 3.26Å; H141-N144 PolarHBondContact O-N 3.21Å; H141-N144 VanDerWaalsContact O-N 3.16Å; H141-S145 PolarHBondContact O-N 2.92Å; H141-S145 PolarHBondContact O-OG 3.46Å |
| 142 | G | 96.7 | Very high | 95.5 | Very high | 44 Ų | 44 | 80.4 Ų | 80.4 | 45% | 0.454 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -56.9 | -43.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S138 R139 S145 A146 | S138-G142 PolarHBondContact O-N 3.25Å; S138-G142 VanDerWaalsContact O-N 3.11Å; R139-G142 PolarHBondContact O-N 3.35Å; G142-S145 PolarHBondContact O-N 3.12Å; G142-A146 PolarHBondContact O-N 3.06Å |
| 143 | L | 97 | Very high | 95.1 | Very high | 89 Ų | 89 | 85.4 Ų | 85.4 | 47% | 0.466 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 175.1 | -174.8 | 157.5 | 0 | 0 | 0 | 112.1 | R139 H141 A146 L147 | R139-L143 PolarHBondContact O-N 3.46Å; R139-L143 VanDerWaalsContact O-N 3.08Å; H141-L143 VanDerWaalsContact C-N 3.34Å; H141-L143 PolarHBondContact O-N 3.26Å; L143-A146 PolarHBondContact O-N 3.41Å; L143-L147 PolarHBondContact O-N 2.81Å |
| 144 | N | 96.2 | Very high | 94.4 | Very high | 51 Ų | 51 | 81 Ų | 81 | 27% | 0.273 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 177.6 | -69.8 | -28.8 | 0 | 0 | 0 | 111.5 | M140 H141 A146 L147 D148 K222 | M140-N144 WeakPolarHBondContact O-CB 3.47Å; M140-N144 PolarHBondContact O-N 3.12Å; M140-N144 PolarHBondContact O-ND2 3.15Å; H141-N144 PolarHBondContact O-N 3.21Å; H141-N144 VanDerWaalsContact O-N 3.16Å; N144-A146 PolarHBondContact O-N 2.93Å; N144-L147 WeakPolarHBondContact O-CB 3.31Å; N144-L147 PolarHBondContact O-N 3.33Å; N144-D148 PolarHBondContact O-N 2.95Å; N144-K222 WeakPolarHBondContact OD1-CE 3.36Å; N144-K222 PolarHBondContact OD1-NZ 3.29Å |
| 145 | S | 94.2 | Very high | 93.5 | Very high | 77 Ų | 77 | 80.2 Ų | 80.2 | 54% | 0.538 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62 | -40.2 | 174.9 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | H141 G142 L147 D148 A149 | H141-S145 PolarHBondContact O-N 2.92Å; H141-S145 PolarHBondContact O-OG 3.46Å; G142-S145 PolarHBondContact O-N 3.12Å; S145-L147 VanDerWaalsContact C-N 3.34Å; S145-D148 PolarHBondContact O-N 3.24Å; S145-A149 PolarHBondContact O-N 2.89Å |
| 146 | A | 95.9 | Very high | 91.8 | Very high | 63 Ų | 63 | 75.6 Ų | 75.6 | 52% | 0.521 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G142 L143 N144 A149 L150 | G142-A146 PolarHBondContact O-N 3.06Å; L143-A146 PolarHBondContact O-N 3.41Å; N144-A146 PolarHBondContact O-N 2.93Å; A146-A149 PolarHBondContact O-N 3.21Å; A146-L150 PolarHBondContact O-N 3.29Å |
| 147 | L | 92.9 | Very high | 89.7 | Confident | 15 Ų | 15 | 72 Ų | 72 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.4 | -37.1 | 174.2 | -171.1 | 73.6 | 0 | 0 | 0 | 112.2 | L143 N144 S145 L150 R151 K222 T225 L226 | L143-L147 PolarHBondContact O-N 2.81Å; N144-L147 WeakPolarHBondContact O-CB 3.31Å; N144-L147 PolarHBondContact O-N 3.33Å; S145-L147 VanDerWaalsContact C-N 3.34Å; L147-L150 HydrophobicContact CD1-CD2 4.47Å; L147-L150 PolarHBondContact O-N 3.2Å; L147-R151 WeakPolarHBondContact O-CG 3.43Å; L147-R151 PolarHBondContact O-N 2.84Å; L147-R151 VanDerWaalsContact O-N 3.13Å; L147-K222 HydrophobicContact CD2-CB 4.06Å; L147-K222 HydrophobicContact CD2-CD 4.05Å; L147-K222 HydrophobicContact CD2-CG 3.66Å; L147-T225 HydrophobicContact CD1-CG2 3.72Å; L147-T225 HydrophobicContact CG-CG2 4.19Å; L147-L226 HydrophobicContact CD1-CD2 4.29Å; L147-L226 HydrophobicContact CD1-CG 4.4Å |
| 148 | D | 90.5 | Very high | 87.8 | Confident | 57 Ų | 57 | 64.9 Ų | 64.9 | 31% | 0.305 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -70.4 | -32.1 | 174.2 | -77.9 | -32.9 | 0 | 0 | 0 | 112.3 | N144 S145 R151 | N144-D148 PolarHBondContact O-N 2.95Å; S145-D148 PolarHBondContact O-N 3.24Å; D148-R151 PolarHBondContact O-N 3.34Å; D148-R151 IonicContact OD1-CZ 3.76Å; D148-R151 IonicContact OD1-NH1 2.67Å; D148-R151 PolarHBondContact OD1-NH1 3.31Å |
| 149 | A | 90.8 | Very high | 85.7 | Confident | 41 Ų | 41 | 62.5 Ų | 62.5 | 34% | 0.339 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S145 A146 R151 Q152 H153 | S145-A149 PolarHBondContact O-N 2.89Å; A146-A149 PolarHBondContact O-N 3.21Å; A149-R151 PolarHBondContact O-N 3.01Å; A149-Q152 WeakPolarHBondContact O-CB 3.48Å; A149-Q152 PolarHBondContact O-N 2.91Å; A149-H153 PolarHBondContact O-CD2 3.41Å |
| 150 | L | 92.5 | Very high | 83.3 | Confident | 56 Ų | 56 | 56.2 Ų | 56.2 | 29% | 0.293 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.4 | -38.1 | 175.1 | -179.3 | 60.8 | 0 | 0 | 0 | 112.2 | A146 L147 Q152 H153 I154 T225 L226 A229 | A146-L150 PolarHBondContact O-N 3.29Å; L147-L150 HydrophobicContact CD1-CD2 4.47Å; L147-L150 PolarHBondContact O-N 3.2Å; L150-Q152 PolarHBondContact O-N 3.41Å; L150-H153 PolarHBondContact O-N 3.44Å; L150-H153 VanDerWaalsContact O-N 3.12Å; L150-I154 PolarHBondContact O-N 2.86Å; L150-T225 HydrophobicContact CD2-CG2 4.31Å; L150-T225 HydrophobicContact CG-CG2 4.48Å; L150-L226 HydrophobicContact CD2-CD2 4.24Å; L150-A229 HydrophobicContact CD1-CB 3.96Å; L150-A229 HydrophobicContact CD2-CB 3.92Å; L150-A229 HydrophobicContact CG-CB 4.14Å |
| 151 | R | 90.9 | Very high | 80.7 | Confident | 46 Ų | 46 | 54.4 Ų | 54.4 | 17% | 0.174 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.5 | -24.7 | 176.1 | -72.7 | 171.6 | 179 | 133.6 | -4.9 | 114.2 | L147 D148 A149 L220 T225 | L147-R151 WeakPolarHBondContact O-CG 3.43Å; L147-R151 PolarHBondContact O-N 2.84Å; L147-R151 VanDerWaalsContact O-N 3.13Å; D148-R151 PolarHBondContact O-N 3.34Å; D148-R151 IonicContact OD1-CZ 3.76Å; D148-R151 IonicContact OD1-NH1 2.67Å; D148-R151 PolarHBondContact OD1-NH1 3.31Å; A149-R151 PolarHBondContact O-N 3.01Å; R151-L220 PolarHBondContact NH2-O 3.05Å; R151-T225 HydrophobicContact CG-CG2 3.5Å; R151-T225 PolarHBondContact NE-OG1 3.03Å; R151-T225 PolarHBondContact NH2-OG1 2.86Å |
| 152 | Q | 87.1 | Confident | 78 | Confident | 141 Ų | 141 | 58.3 Ų | 58.3 | 66% | 0.659 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -76.1 | -25.8 | 176.1 | -61.6 | 169.9 | 42.1 | 0 | 0 | 112.2 | A149 L150 | A149-Q152 WeakPolarHBondContact O-CB 3.48Å; A149-Q152 PolarHBondContact O-N 2.91Å; L150-Q152 PolarHBondContact O-N 3.41Å |
| 153 | H | 87.6 | Confident | 75.4 | Confident | 139 Ų | 139 | 59.1 Ų | 59.1 | 64% | 0.644 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -89.6 | -18.3 | 178.8 | -66.9 | -65.3 | 0 | 0 | 0 | 113.9 | A149 L150 Y232 | A149-H153 PolarHBondContact O-CD2 3.41Å; L150-H153 PolarHBondContact O-N 3.44Å; L150-H153 VanDerWaalsContact O-N 3.12Å; H153-Y232 VanDerWaalsContact O-CE1 3.32Å; H153-Y232 WeakPolarHBondContact O-CE1 3.27Å |
| 154 | I | 85 | Confident | 72.5 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -68.8 | 131.7 | 168.3 | -63.7 | 172.3 | 0 | 0 | 0 | 107.6 | L150 S156 I159 T225 L228 A229 | L150-I154 PolarHBondContact O-N 2.86Å; I154-S156 PolarHBondContact O-N 3.49Å; I154-I159 HydrophobicContact CB-CD1 4.32Å; I154-I159 HydrophobicContact CG2-CD1 3.58Å; I154-T225 HydrophobicContact CD1-CG2 3.94Å; I154-T225 WeakPolarHBondContact CD1-O 3.4Å; I154-L228 HydrophobicContact CD1-CB 4.45Å; I154-L228 HydrophobicContact CD1-CG 4.4Å; I154-L228 HydrophobicContact CG2-CD2 3.51Å; I154-L228 HydrophobicContact CG2-CG 3.63Å; I154-A229 HydrophobicContact CD1-CB 4.25Å; I154-A229 HydrophobicContact CG1-CB 4.36Å |
| 155 | P | 79 | Confident | 69.9 | Low | 30 Ų | 30 | 63 Ų | 63 | 20% | 0.195 | 35% | 0.352 | C | S | . | . | trans | -56.3 | 117.1 | -173.7 | -26.4 | 34.2 | 0 | 0 | 0 | 112.1 | A157 L158 Y232 | P155-A157 HydrophobicContact CB-CB 4.03Å; P155-A157 PolarHBondContact O-N 3.28Å; P155-A157 VanDerWaalsContact O-N 3.11Å; P155-L158 HydrophobicContact CB-CD1 3.86Å; P155-L158 HydrophobicContact CG-CD1 4.39Å; P155-L158 PolarHBondContact O-N 2.99Å; P155-Y232 HydrophobicContact CG-CD1 4.37Å; P155-Y232 HydrophobicContact CG-CD2 3.72Å; P155-Y232 HydrophobicContact CG-CE1 4Å; P155-Y232 HydrophobicContact CG-CE2 3.3Å; P155-Y232 HydrophobicContact CG-CG 4.24Å; P155-Y232 VanDerWaalsContact CG-CZ 3.45Å | ||
| 156 | S | 63.5 | Low | 67.2 | Low | 56 Ų | 56 | 64.9 Ų | 64.9 | 39% | 0.392 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -51.8 | -34.6 | 178.1 | 57.2 | 0 | 0 | 0 | 0 | 112.5 | I154 L158 I159 G160 F213 | I154-S156 PolarHBondContact O-N 3.49Å; S156-L158 PolarHBondContact O-N 3.25Å; S156-I159 CarbonylContact O-C 3.58Å; S156-I159 PolarHBondContact O-N 3.45Å; S156-G160 PolarHBondContact O-N 2.9Å; S156-F213 VanDerWaalsContact CB-CE2 3.45Å; S156-F213 VanDerWaalsContact CB-CZ 3.5Å |
| 157 | A | 54.4 | Low | 64.7 | Low | 6 Ų | 6 | 69 Ų | 69 | 5% | 0.05 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -29.2 | -45.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | P155 I163 F165 | P155-A157 HydrophobicContact CB-CB 4.03Å; P155-A157 PolarHBondContact O-N 3.28Å; P155-A157 VanDerWaalsContact O-N 3.11Å; A157-I163 HydrophobicContact CB-CB 4.45Å; A157-I163 HydrophobicContact CB-CD1 3.57Å; A157-I163 HydrophobicContact CB-CG1 4.08Å; A157-I163 HydrophobicContact CB-CG2 3.61Å; A157-F165 HydrophobicContact CB-CZ 4.42Å |
| 158 | L | 57.8 | Low | 62.1 | Low | 12 Ų | 12 | 75.8 Ų | 75.8 | 6% | 0.063 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -85 | -17.7 | -175.4 | -82.1 | 92.4 | 0 | 0 | 0 | 114.2 | P155 S156 L228 L255 I267 L271 | P155-L158 HydrophobicContact CB-CD1 3.86Å; P155-L158 HydrophobicContact CG-CD1 4.39Å; P155-L158 PolarHBondContact O-N 2.99Å; S156-L158 PolarHBondContact O-N 3.25Å; L158-L228 HydrophobicContact CD2-CD1 4.06Å; L158-L255 HydrophobicContact CD1-CD2 3.5Å; L158-L255 VanDerWaalsContact CD1-CD2 3.5Å; L158-L255 HydrophobicContact CD2-CB 4.28Å; L158-L255 HydrophobicContact CD2-CD2 3.35Å; L158-L255 HydrophobicContact CD2-CG 3.5Å; L158-L255 HydrophobicContact CG-CD2 4.07Å; L158-I267 HydrophobicContact CB-CG1 4.16Å; L158-I267 HydrophobicContact CB-CG2 4.3Å; L158-I267 HydrophobicContact CD2-CD1 4.05Å; L158-I267 HydrophobicContact CD2-CG1 4.19Å; L158-I267 HydrophobicContact CD2-CG2 3.66Å; L158-I267 HydrophobicContact CG-CG2 3.91Å; L158-I267 VanDerWaalsContact O-CG1 3.3Å; L158-I267 WeakPolarHBondContact O-CG1 3.34Å; L158-L271 HydrophobicContact CG-CD1 4.39Å |
| 159 | I | 54.6 | Low | 59.8 | Low | 31 Ų | 31 | 82.3 Ų | 82.3 | 16% | 0.159 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | -15.2 | -166.8 | -64 | 145.6 | 0 | 0 | 0 | 111.3 | I154 S156 F216 L220 L228 | I154-I159 HydrophobicContact CB-CD1 4.32Å; I154-I159 HydrophobicContact CG2-CD1 3.58Å; S156-I159 CarbonylContact O-C 3.58Å; S156-I159 PolarHBondContact O-N 3.45Å; I159-F216 WeakPolarHBondContact O-CB 3.32Å; I159-F216 VanDerWaalsContact O-CD2 3.23Å; I159-F216 WeakPolarHBondContact O-CD2 3.19Å; I159-F216 WeakPolarHBondContact O-CG 3.49Å; I159-L220 HydrophobicContact CD1-CD1 3.69Å; I159-L220 HydrophobicContact CG1-CD1 3.88Å; I159-L220 HydrophobicContact CG1-CG 4.38Å; I159-L228 HydrophobicContact CD1-CD2 4.07Å |
| 160 | G | 48.1 | Very low | 57.3 | Low | 33 Ų | 33 | 89.1 Ų | 89.1 | 34% | 0.34 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -118.5 | -3.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | S156 Y162 | S156-G160 PolarHBondContact O-N 2.9Å; G160-Y162 VanDerWaalsContact C-N 3.26Å; G160-Y162 WeakPolarHBondContact O-CD2 3.45Å; G160-Y162 PolarHBondContact O-N 3.5Å |
| 161 | G | 43.2 | Very low | 54.6 | Low | 32 Ų | 32 | 92.9 Ų | 92.9 | 33% | 0.33 | 47% | 0.474 | S | S | . | . | S | Bend | trans | 72.3 | 5.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 162 | Y | 40.4 | Very low | 52.1 | Low | 205 Ų | 205 | 98 Ų | 98 | 80% | 0.804 | 50% | 0.504 | S | S | * | . | trans | -135 | 112.3 | 178.2 | -54.6 | -74.8 | 0 | 0 | 0 | 111.2 | G160 | G160-Y162 VanDerWaalsContact C-N 3.26Å; G160-Y162 WeakPolarHBondContact O-CD2 3.45Å; G160-Y162 PolarHBondContact O-N 3.5Å | ||
| 163 | I | 42.7 | Very low | 49.4 | Very low | 60 Ų | 60 | 97.6 Ų | 97.6 | 31% | 0.308 | 51% | 0.512 | S | S | . | . | trans | -148.1 | 116.4 | 162.8 | 27.2 | 164.7 | 0 | 0 | 0 | 109.5 | A157 F165 L271 | A157-I163 HydrophobicContact CB-CB 4.45Å; A157-I163 HydrophobicContact CB-CD1 3.57Å; A157-I163 HydrophobicContact CB-CG1 4.08Å; A157-I163 HydrophobicContact CB-CG2 3.61Å; I163-F165 HydrophobicContact CD1-CD2 3.65Å; I163-F165 HydrophobicContact CD1-CE2 3.19Å; I163-F165 HydrophobicContact CD1-CG 4.5Å; I163-F165 HydrophobicContact CD1-CZ 3.69Å; I163-F165 HydrophobicContact CG1-CE2 4.44Å; I163-F165 HydrophobicContact CG2-CE1 4.46Å; I163-F165 PolarHBondContact O-N 2.94Å; I163-L271 HydrophobicContact CD1-CD2 3.36Å; I163-L271 HydrophobicContact CG1-CD2 4.25Å | ||
| 164 | S | 35.9 | Very low | 47 | Very low | 89 Ų | 89 | 97.6 Ų | 97.6 | 62% | 0.622 | 52% | 0.521 | S | S | * | . | trans | -81.1 | 103.1 | 150.6 | -158.8 | 0 | 0 | 0 | 0 | 106.6 | D166 | S164-D166 WeakPolarHBondContact CB-OD2 3.3Å; S164-D166 PolarHBondContact O-N 3.19Å; S164-D166 PolarHBondContact OG-OD2 2.96Å | ||
| 165 | F | 40.8 | Very low | 44.3 | Very low | 132 Ų | 132 | 105.3 Ų | 105.3 | 58% | 0.579 | 56% | 0.561 | S | S | * | * | trans | -82.4 | 79.5 | 160.8 | -75.5 | -51 | 0 | 0 | 0 | 107.5 | A157 I163 L167 | A157-F165 HydrophobicContact CB-CZ 4.42Å; I163-F165 HydrophobicContact CD1-CD2 3.65Å; I163-F165 HydrophobicContact CD1-CE2 3.19Å; I163-F165 HydrophobicContact CD1-CG 4.5Å; I163-F165 HydrophobicContact CD1-CZ 3.69Å; I163-F165 HydrophobicContact CG1-CE2 4.44Å; I163-F165 HydrophobicContact CG2-CE1 4.46Å; I163-F165 PolarHBondContact O-N 2.94Å; F165-L167 HydrophobicContact CB-CD1 4.3Å; F165-L167 HydrophobicContact CB-CG 4.35Å; F165-L167 PolarHBondContact O-N 3.03Å | ||
| 166 | D | 37.9 | Very low | 41.9 | Very low | 118 Ų | 118 | 109.6 Ų | 109.6 | 63% | 0.631 | 59% | 0.59 | S | S | * | * | trans | -71.2 | 65.1 | 170.9 | -74.1 | -66 | 0 | 0 | 0 | 110.5 | S164 D168 | S164-D166 WeakPolarHBondContact CB-OD2 3.3Å; S164-D166 PolarHBondContact O-N 3.19Å; S164-D166 PolarHBondContact OG-OD2 2.96Å; D166-D168 PolarHBondContact O-N 3.49Å | ||
| 167 | L | 42.8 | Very low | 40.1 | Very low | 149 Ų | 149 | 113.4 Ų | 113.4 | 78% | 0.78 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 33 | 173.9 | -73.4 | 170 | 0 | 0 | 0 | 112.1 | F165 | F165-L167 HydrophobicContact CB-CD1 4.3Å; F165-L167 HydrophobicContact CB-CG 4.35Å; F165-L167 PolarHBondContact O-N 3.03Å |
| 168 | D | 38 | Very low | 39.2 | Very low | 158 Ų | 158 | 119.5 Ų | 119.5 | 85% | 0.845 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.7 | 15.7 | -174.3 | -109.4 | -26.2 | 0 | 0 | 0 | 113.6 | D166 K170 | D166-D168 PolarHBondContact O-N 3.49Å; D168-K170 PolarHBondContact O-N 3.46Å |
| 169 | K | 42 | Very low | 37.9 | Very low | 193 Ų | 193 | 126.9 Ų | 126.9 | 84% | 0.839 | 68% | 0.682 | S | S | * | * | trans | -87.1 | 82.2 | 165.7 | -83.3 | -170.8 | 175.2 | -179.7 | 0 | 111.6 | D171 | K169-D171 PolarHBondContact O-N 3.48Š| ||
| 170 | K | 40.2 | Very low | 37.1 | Very low | 184 Ų | 184 | 133.4 Ų | 133.4 | 80% | 0.8 | 72% | 0.717 | S | S | * | * | trans | -45.8 | 132.6 | 150.3 | -119.1 | 173 | -179.8 | 170.6 | 0 | 110.2 | D168 D172 | D168-K170 PolarHBondContact O-N 3.46Å; K170-D172 PolarHBondContact O-N 3.36Å | ||
| 171 | D | 34.4 | Very low | 36.3 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | 9.5 | 106.3 | 146 | -42.6 | -45.1 | 0 | 0 | 0 | 115.6 | K169 | K169-D171 PolarHBondContact O-N 3.48Š| ||
| 172 | D | 37.9 | Very low | 36.1 | Very low | 153 Ų | 153 | 146 Ų | 146 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | -171.4 | 129.6 | 117.4 | -95.7 | -25.4 | 0 | 0 | 0 | 112.1 | K170 T174 | K170-D172 PolarHBondContact O-N 3.36Å; D172-T174 PolarHBondContact O-N 3.07Å | |||
| 173 | T | 32.2 | Very low | 35.9 | Very low | 133 Ų | 133 | 145.3 Ų | 145.3 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | trans | -65.2 | 117.2 | 168.6 | 44.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 174 | T | 36 | Very low | 35.7 | Very low | 138 Ų | 138 | 150 Ų | 150 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | trans | -156.9 | 121.3 | 148.4 | 7.5 | 0 | 0 | 0 | 0 | 112.8 | D172 | D172-T174 PolarHBondContact O-N 3.07Š| ||
| 175 | I | 28 | Very low | 35.8 | Very low | 163 Ų | 163 | 151.3 Ų | 151.3 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -67.6 | 132.5 | 164.5 | -64 | 154.1 | 0 | 0 | 0 | 108.2 | ||||
| 176 | C | 29.3 | Very low | 35.7 | Very low | 120 Ų | 120 | 152.4 Ų | 152.4 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -173.6 | 105.2 | 148.9 | -108 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 177 | T | 26.5 | Very low | 35.8 | Very low | 137 Ų | 137 | 150.1 Ų | 150.1 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -86.7 | 124.8 | 158.5 | 40.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 178 | T | 34.6 | Very low | 35.6 | Very low | 133 Ų | 133 | 149.5 Ų | 149.5 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | -145.8 | 129.8 | 160.7 | 39 | 0 | 0 | 0 | 0 | 112 | ||||
| 179 | H | 30.3 | Very low | 35.6 | Very low | 167 Ų | 167 | 150.3 Ų | 150.3 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -74.4 | 161.5 | 164.1 | -91 | -113.4 | 0 | 0 | 0 | 110.9 | ||||
| 180 | N | 37.3 | Very low | 35.2 | Very low | 168 Ų | 168 | 147.2 Ų | 147.2 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | trans | -156.5 | 124.3 | 146.2 | -101.3 | -32.2 | 0 | 0 | 0 | 111.5 | ||||
| 181 | D | 32.2 | Very low | 34.8 | Very low | 139 Ų | 139 | 147.5 Ų | 147.5 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | -87.1 | 154.6 | 173.5 | -62.6 | -68.2 | 0 | 0 | 0 | 112 | ||||
| 182 | Q | 38.4 | Very low | 34.8 | Very low | 192 Ų | 192 | 145.3 Ų | 145.3 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | trans | -161 | 93.7 | 148.5 | -114.3 | 166.7 | 41.2 | 0 | 0 | 115.5 | ||||
| 183 | K | 35.7 | Very low | 34.7 | Very low | 190 Ų | 190 | 146.3 Ų | 146.3 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | 24.3 | 132 | 126.2 | -119.4 | 174.8 | -175.2 | 173.8 | 0 | 120.2 | |||||
| 184 | Q | 39.8 | Very low | 34.7 | Very low | 157 Ų | 157 | 146.2 Ų | 146.2 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | 164.8 | 134.3 | 107.5 | -80.6 | -136.1 | -3 | 0 | 0 | 115.1 | |||||
| 185 | N | 36.5 | Very low | 34.9 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 63% | 0.626 | 76% | 0.761 | S | S | * | * | trans | 59.6 | 160.9 | 141.1 | -64.4 | 44.1 | 0 | 0 | 0 | 119.3 | ||||
| 186 | E | 39.6 | Very low | 35 | Very low | 155 Ų | 155 | 152.1 Ų | 152.1 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | cis | -171.6 | 174.6 | -15.4 | -107.4 | -164 | -104 | 0 | 0 | 108.5 | ||||
| 187 | S | 39.2 | Very low | 35.2 | Very low | 70 Ų | 70 | 152.2 Ų | 152.2 | 49% | 0.49 | 76% | 0.76 | S | S | . | * | cis | -168.1 | 169.7 | -24.4 | 50.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 188 | N | 38.8 | Very low | 35.4 | Very low | 137 Ų | 137 | 152.5 Ų | 152.5 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | 71.4 | 148.9 | 165.9 | -57.9 | -60 | 0 | 0 | 0 | 117.6 | ||||
| 189 | K | 38.9 | Very low | 35.3 | Very low | 174 Ų | 174 | 150.7 Ų | 150.7 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | cis | -164 | 155.9 | 0.6 | -132 | 171.2 | 170.2 | 177.5 | 0 | 112.8 | ||||
| 190 | L | 34.4 | Very low | 35.4 | Very low | 128 Ų | 128 | 149 Ų | 149 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | trans | 68.6 | 117.6 | 149.8 | -79.2 | 148.1 | 0 | 0 | 0 | 122.8 | ||||
| 191 | F | 30 | Very low | 34.9 | Very low | 191 Ų | 191 | 148.5 Ų | 148.5 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | 44.2 | 137.6 | 128.4 | -82.1 | -114.5 | 0 | 0 | 0 | 120 | |||||
| 192 | S | 35.1 | Very low | 34.8 | Very low | 89 Ų | 89 | 148.9 Ų | 148.9 | 62% | 0.622 | 75% | 0.751 | S | S | * | * | cis | -167.4 | 146.7 | 32.8 | -158.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 193 | K | 36.6 | Very low | 34.5 | Very low | 174 Ų | 174 | 148 Ų | 148 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | trans | 36 | 125 | 148.5 | -73 | 175.8 | 177.5 | 175.1 | 0 | 122.2 | ||||
| 194 | N | 31.6 | Very low | 34.3 | Very low | 131 Ų | 131 | 146.5 Ų | 146.5 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | trans | 69.5 | 99 | 138.7 | -54.4 | -5 | 0 | 0 | 0 | 118.8 | ||||
| 195 | H | 38.9 | Very low | 33.9 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 88% | 0.88 | 75% | 0.745 | S | S | * | * | -173.1 | 162.9 | 97.6 | -96.4 | -77.4 | 0 | 0 | 0 | 110.1 | |||||
| 196 | R | 30.4 | Very low | 33.6 | Very low | 235 Ų | 235 | 144.5 Ų | 144.5 | 89% | 0.887 | 75% | 0.748 | S | S | * | * | trans | -65.2 | 126.4 | -166.3 | -73.8 | 171.1 | 167.9 | 165.9 | -7.1 | 114 | ||||
| 197 | T | 34 | Very low | 33.2 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | 16.7 | 111.9 | 139.1 | 53.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 198 | N | 31 | Very low | 32.8 | Very low | 143 Ų | 143 | 148.9 Ų | 148.9 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | cis | 48.6 | 108.5 | 46.9 | -71.4 | -14.3 | 0 | 0 | 0 | 112.6 | ||||
| 199 | S | 33 | Very low | 32.4 | Very low | 94 Ų | 94 | 150 Ų | 150 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | S | Bend | 82.6 | 141.2 | 72.8 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | |||
| 200 | P | 31 | Very low | 32.4 | Very low | 131 Ų | 131 | 147.7 Ų | 147.7 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -75.8 | 132.5 | -143.6 | 28.8 | -36 | 0 | 0 | 0 | 113.4 | ||||
| 201 | I | 28.6 | Very low | 32.5 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | trans | -108.6 | 122.6 | 176.6 | -65.3 | 179.4 | 0 | 0 | 0 | 109.5 | Q203 | I201-Q203 PolarHBondContact O-N 3.35Š| ||
| 202 | N | 29.4 | Very low | 32.6 | Very low | 147 Ų | 147 | 146.2 Ų | 146.2 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -56.9 | 119.9 | 175.1 | -61.8 | -42.6 | 0 | 0 | 0 | 111.2 | I204 | N202-I204 PolarHBondContact O-N 2.88Š| ||
| 203 | Q | 32.9 | Very low | 32.7 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -88.9 | 93.9 | 153.6 | -77.9 | -169.6 | 0.8 | 0 | 0 | 108.8 | I201 N205 | I201-Q203 PolarHBondContact O-N 3.35Å; Q203-N205 PolarHBondContact O-N 3.21Å | ||
| 204 | I | 30 | Very low | 33.1 | Very low | 160 Ų | 160 | 148.2 Ų | 148.2 | 82% | 0.821 | 78% | 0.779 | S | S | * | * | trans | -65.5 | 107.1 | 153.8 | -63.1 | 168.3 | 0 | 0 | 0 | 105 | N202 | N202-I204 PolarHBondContact O-N 2.88Š| ||
| 205 | N | 32.2 | Very low | 33.6 | Very low | 134 Ų | 134 | 149.9 Ų | 149.9 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | trans | -130.6 | 122.1 | 175.3 | -145.8 | -3.6 | 0 | 0 | 0 | 110.4 | Q203 N207 | Q203-N205 PolarHBondContact O-N 3.21Å; N205-N207 PolarHBondContact O-N 2.88Å | ||
| 206 | S | 29.8 | Very low | 33.6 | Very low | 98 Ų | 98 | 145.2 Ų | 145.2 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | trans | -68.9 | 113.7 | -169.1 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 207 | N | 31.3 | Very low | 34.2 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | trans | -152.2 | 49.3 | 157.5 | -89.4 | -37.5 | 0 | 0 | 0 | 109.5 | N205 | N205-N207 PolarHBondContact O-N 2.88Š| ||
| 208 | N | 30.6 | Very low | 35.3 | Very low | 154 Ų | 154 | 138 Ų | 138 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | trans | -73.1 | 142.2 | 166.8 | -70.4 | -26.9 | 0 | 0 | 0 | 108.9 | ||||
| 209 | N | 30.9 | Very low | 37.3 | Very low | 160 Ų | 160 | 138.4 Ų | 138.4 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 81 | 104.4 | 179.9 | -143.6 | 5.3 | 0 | 0 | 0 | 114.7 | ||
| 210 | V | 37.7 | Very low | 39.6 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 76% | 0.764 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 148.6 | -35.2 | 152.4 | 165.4 | 0 | 0 | 0 | 0 | 112.6 | ||
| 211 | N | 37 | Very low | 42.4 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 77% | 0.77 | 69% | 0.691 | S | S | * | * | trans | -118.3 | 6 | -165.4 | -74.6 | -40.7 | 0 | 0 | 0 | 118.9 | F213 | N211-F213 PolarHBondContact O-N 3.19Š| ||
| 212 | N | 33 | Very low | 45.4 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 77% | 0.77 | 67% | 0.672 | S | S | * | * | trans | -80 | 45.3 | -178.8 | -82.2 | -6.6 | 0 | 0 | 0 | 114.8 | H214 | N212-H214 VanDerWaalsContact C-N 3.25Å; N212-H214 PolarHBondContact O-N 2.84Å | ||
| 213 | F | 37.7 | Very low | 48.5 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 58% | 0.575 | 66% | 0.657 | S | S | * | * | trans | -86.9 | 13 | 175.3 | -135.9 | -88.5 | 0 | 0 | 0 | 113.8 | S156 N211 | S156-F213 VanDerWaalsContact CB-CE2 3.45Å; S156-F213 VanDerWaalsContact CB-CZ 3.5Å; N211-F213 PolarHBondContact O-N 3.19Å | ||
| 214 | H | 44.8 | Very low | 51.2 | Low | 173 Ų | 173 | 118 Ų | 118 | 80% | 0.801 | 63% | 0.625 | S | S | * | * | trans | -111.5 | 32.8 | -171.4 | -153.3 | 59.5 | 0 | 0 | 0 | 113.8 | N212 | N212-H214 VanDerWaalsContact C-N 3.25Å; N212-H214 PolarHBondContact O-N 2.84Å | ||
| 215 | Q | 41.7 | Very low | 54.2 | Low | 167 Ų | 167 | 110.4 Ų | 110.4 | 78% | 0.78 | 59% | 0.586 | S | S | * | * | trans | -134.5 | 7.1 | -169.9 | -127.8 | 171.5 | 4.4 | 0 | 0 | 117.6 | ||||
| 216 | F | 37.8 | Very low | 57.1 | Low | 91 Ų | 91 | 108.1 Ų | 108.1 | 40% | 0.399 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -92.2 | 118.1 | 158.7 | -154.5 | -98.6 | 0 | 0 | 0 | 109.9 | I159 Q218 Q266 | I159-F216 WeakPolarHBondContact O-CB 3.32Å; I159-F216 VanDerWaalsContact O-CD2 3.23Å; I159-F216 WeakPolarHBondContact O-CD2 3.19Å; I159-F216 WeakPolarHBondContact O-CG 3.49Å; F216-Q218 PolarHBondContact O-N 3.43Å; F216-Q266 HydrophobicContact CE1-CB 4.41Å; F216-Q266 HydrophobicContact CE1-CG 4.2Å; F216-Q266 HydrophobicContact CZ-CB 4.16Å; F216-Q266 HydrophobicContact CZ-CG 4.07Å |
| 217 | G | 43.7 | Very low | 60.2 | Low | 82 Ų | 82 | 109.1 Ų | 109.1 | 85% | 0.845 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -69.1 | 4.8 | -161.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 218 | Q | 57.2 | Low | 63.1 | Low | 124 Ų | 124 | 101.4 Ų | 101.4 | 58% | 0.579 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -139.2 | 121 | 171.4 | -70.5 | -175.5 | -13.4 | 0 | 0 | 109.9 | F216 L220 | F216-Q218 PolarHBondContact O-N 3.43Å; Q218-L220 PolarHBondContact O-N 3.5Å |
| 219 | K | 72.7 | Confident | 66.1 | Low | 152 Ų | 152 | 94.4 Ų | 94.4 | 66% | 0.661 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -65 | 127.7 | 167 | -67.8 | -172.8 | 175.3 | -166.9 | 0 | 108.3 | S221 | K219-S221 PolarHBondContact O-N 3.43Š|
| 220 | L | 81.5 | Confident | 69.1 | Low | 15 Ų | 15 | 89.8 Ų | 89.8 | 8% | 0.079 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -47.3 | 136.4 | 170.9 | -72 | -178.4 | 0 | 0 | 0 | 110.5 | R151 I159 Q218 E224 T225 L228 T263 | R151-L220 PolarHBondContact NH2-O 3.05Å; I159-L220 HydrophobicContact CD1-CD1 3.69Å; I159-L220 HydrophobicContact CG1-CD1 3.88Å; I159-L220 HydrophobicContact CG1-CG 4.38Å; Q218-L220 PolarHBondContact O-N 3.5Å; L220-E224 HydrophobicContact CB-CB 4.44Å; L220-E224 HydrophobicContact CD2-CB 4.42Å; L220-T225 PolarHBondContact O-OG1 3.19Å; L220-L228 HydrophobicContact CD1-CD2 3.72Å; L220-T263 HydrophobicContact CD2-CG2 3.68Å |
| 221 | S | 90 | Very high | 71.8 | Confident | 44 Ų | 44 | 84.8 Ų | 84.8 | 31% | 0.308 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 163.4 | 177.8 | 71.2 | 0 | 0 | 0 | 0 | 111 | K219 I223 E224 T225 | K219-S221 PolarHBondContact O-N 3.43Å; S221-I223 PolarHBondContact O-N 3.05Å; S221-I223 WeakPolarHBondContact OG-CG2 3.4Å; S221-E224 WeakPolarHBondContact CB-OE2 3.35Å; S221-E224 PolarHBondContact N-OE2 2.96Å; S221-E224 PolarHBondContact O-N 3.29Å; S221-E224 WeakPolarHBondContact OG-CB 3.41Å; S221-E224 WeakPolarHBondContact OG-CG 3.39Å; S221-E224 PolarHBondContact OG-N 2.76Å; S221-E224 PolarHBondContact OG-OE2 3.46Å; S221-T225 WeakPolarHBondContact O-CB 3.4Å; S221-T225 PolarHBondContact O-N 3.37Å; S221-T225 PolarHBondContact O-OG1 3.4Å |
| 222 | K | 92.4 | Very high | 74.5 | Confident | 96 Ų | 96 | 81.1 Ų | 81.1 | 42% | 0.417 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -57.3 | -40.3 | 178.7 | -62.1 | -162.1 | 167.4 | -168.5 | 0 | 111.7 | N144 L147 L226 | N144-K222 WeakPolarHBondContact OD1-CE 3.36Å; N144-K222 PolarHBondContact OD1-NZ 3.29Å; L147-K222 HydrophobicContact CD2-CB 4.06Å; L147-K222 HydrophobicContact CD2-CD 4.05Å; L147-K222 HydrophobicContact CD2-CG 3.66Å; K222-L226 VanDerWaalsContact O-CG 3.31Å; K222-L226 WeakPolarHBondContact O-CG 3.49Å; K222-L226 PolarHBondContact O-N 2.98Å |
| 223 | I | 92.7 | Very high | 77.4 | Confident | 90 Ų | 90 | 79.6 Ų | 79.6 | 46% | 0.462 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -73.3 | -40.4 | -179.5 | -175 | 59.6 | 0 | 0 | 0 | 112.3 | S221 L226 R227 | S221-I223 PolarHBondContact O-N 3.05Å; S221-I223 WeakPolarHBondContact OG-CG2 3.4Å; I223-L226 PolarHBondContact O-N 2.89Å; I223-R227 HydrophobicContact CD1-CG 4.28Å; I223-R227 HydrophobicContact CG1-CG 4.4Å; I223-R227 WeakPolarHBondContact O-CG 3.41Å; I223-R227 PolarHBondContact O-N 2.8Å |
| 224 | E | 91.4 | Very high | 80.1 | Confident | 31 Ų | 31 | 74 Ų | 74 | 15% | 0.145 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.8 | -39 | 176.3 | -72.8 | 153.3 | 160.8 | 0 | 0 | 111.7 | L220 S221 L226 R227 L228 S260 T263 | L220-E224 HydrophobicContact CB-CB 4.44Å; L220-E224 HydrophobicContact CD2-CB 4.42Å; S221-E224 WeakPolarHBondContact CB-OE2 3.35Å; S221-E224 PolarHBondContact N-OE2 2.96Å; S221-E224 PolarHBondContact O-N 3.29Å; S221-E224 WeakPolarHBondContact OG-CB 3.41Å; S221-E224 WeakPolarHBondContact OG-CG 3.39Å; S221-E224 PolarHBondContact OG-N 2.76Å; S221-E224 PolarHBondContact OG-OE2 3.46Å; E224-L226 VanDerWaalsContact C-N 3.31Å; E224-L226 PolarHBondContact O-N 3.35Å; E224-R227 PolarHBondContact O-N 3.48Å; E224-L228 WeakPolarHBondContact O-CB 3.24Å; E224-L228 PolarHBondContact O-N 3.22Å; E224-S260 WeakPolarHBondContact OE1-CB 3.29Å; E224-S260 PolarHBondContact OE1-OG 2.97Å; E224-T263 VanDerWaalsContact CD-OG1 3.24Å; E224-T263 PolarHBondContact OE1-OG1 3.11Å |
| 225 | T | 91.2 | Very high | 82.3 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -56.4 | -46.6 | 173.2 | -55.6 | 0 | 0 | 0 | 0 | 110.9 | L147 L150 R151 I154 L220 S221 A229 | L147-T225 HydrophobicContact CD1-CG2 3.72Å; L147-T225 HydrophobicContact CG-CG2 4.19Å; L150-T225 HydrophobicContact CD2-CG2 4.31Å; L150-T225 HydrophobicContact CG-CG2 4.48Å; R151-T225 HydrophobicContact CG-CG2 3.5Å; R151-T225 PolarHBondContact NE-OG1 3.03Å; R151-T225 PolarHBondContact NH2-OG1 2.86Å; I154-T225 HydrophobicContact CD1-CG2 3.94Å; I154-T225 WeakPolarHBondContact CD1-O 3.4Å; L220-T225 PolarHBondContact O-OG1 3.19Å; S221-T225 WeakPolarHBondContact O-CB 3.4Å; S221-T225 PolarHBondContact O-N 3.37Å; S221-T225 PolarHBondContact O-OG1 3.4Å; T225-A229 VanDerWaalsContact O-CB 3.3Å; T225-A229 WeakPolarHBondContact O-CB 3.4Å; T225-A229 PolarHBondContact O-N 3.26Å |
| 226 | L | 94.9 | Very high | 84.7 | Confident | 86 Ų | 86 | 61.4 Ų | 61.4 | 45% | 0.45 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.9 | -45.5 | 179.2 | -68.6 | 170.6 | 0 | 0 | 0 | 112.5 | L147 L150 K222 I223 E224 A229 C230 | L147-L226 HydrophobicContact CD1-CD2 4.29Å; L147-L226 HydrophobicContact CD1-CG 4.4Å; L150-L226 HydrophobicContact CD2-CD2 4.24Å; K222-L226 VanDerWaalsContact O-CG 3.31Å; K222-L226 WeakPolarHBondContact O-CG 3.49Å; K222-L226 PolarHBondContact O-N 2.98Å; I223-L226 PolarHBondContact O-N 2.89Å; E224-L226 VanDerWaalsContact C-N 3.31Å; E224-L226 PolarHBondContact O-N 3.35Å; L226-A229 PolarHBondContact O-N 3.49Å; L226-C230 PolarHBondContact O-N 2.96Å; L226-C230 PolarHBondContact O-SG 2.86Å; L226-C230 VanDerWaalsContact O-SG 3.35Å |
| 227 | R | 94.2 | Very high | 87.4 | Confident | 119 Ų | 119 | 59 Ų | 59 | 45% | 0.449 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 177.3 | -73.2 | -178.9 | -177.5 | 177.8 | 4 | 111.4 | I223 E224 A229 C230 N231 G258 L259 | I223-R227 HydrophobicContact CD1-CG 4.28Å; I223-R227 HydrophobicContact CG1-CG 4.4Å; I223-R227 WeakPolarHBondContact O-CG 3.41Å; I223-R227 PolarHBondContact O-N 2.8Å; E224-R227 PolarHBondContact O-N 3.48Å; R227-A229 VanDerWaalsContact C-N 3.35Å; R227-A229 PolarHBondContact O-N 3.49Å; R227-C230 WeakPolarHBondContact O-CB 3.44Å; R227-C230 PolarHBondContact O-N 2.63Å; R227-N231 VanDerWaalsContact O-CG 3.23Å; R227-N231 PolarHBondContact O-N 2.91Å; R227-N231 PolarHBondContact O-OD1 2.94Å; R227-G258 VanDerWaalsContact CD-O 3.3Å; R227-G258 WeakPolarHBondContact CD-O 3.15Å; R227-G258 PolarHBondContact NH1-O 3.32Å; R227-L259 HydrophobicContact CB-CD2 3.74Å |
| 228 | L | 91.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.5 | -37.2 | -179.8 | -178.6 | 54.1 | 0 | 0 | 0 | 111.9 | I154 L158 I159 L220 E224 N231 Y232 L255 L259 | I154-L228 HydrophobicContact CD1-CB 4.45Å; I154-L228 HydrophobicContact CD1-CG 4.4Å; I154-L228 HydrophobicContact CG2-CD2 3.51Å; I154-L228 HydrophobicContact CG2-CG 3.63Å; L158-L228 HydrophobicContact CD2-CD1 4.06Å; I159-L228 HydrophobicContact CD1-CD2 4.07Å; L220-L228 HydrophobicContact CD1-CD2 3.72Å; E224-L228 WeakPolarHBondContact O-CB 3.24Å; E224-L228 PolarHBondContact O-N 3.22Å; L228-N231 PolarHBondContact O-N 2.63Å; L228-Y232 WeakPolarHBondContact O-CB 3.28Å; L228-Y232 PolarHBondContact O-N 3.47Å; L228-L255 HydrophobicContact CD1-CD1 3.56Å; L228-L255 HydrophobicContact CD1-CG 3.71Å; L228-L259 HydrophobicContact CB-CD2 4.15Å; L228-L259 HydrophobicContact CD1-CD1 4.19Å |
| 229 | A | 93.7 | Very high | 91.2 | Very high | 8 Ų | 8 | 53.9 Ų | 53.9 | 7% | 0.066 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L150 I154 T225 L226 R227 Y232 I233 | L150-A229 HydrophobicContact CD1-CB 3.96Å; L150-A229 HydrophobicContact CD2-CB 3.92Å; L150-A229 HydrophobicContact CG-CB 4.14Å; I154-A229 HydrophobicContact CD1-CB 4.25Å; I154-A229 HydrophobicContact CG1-CB 4.36Å; T225-A229 VanDerWaalsContact O-CB 3.3Å; T225-A229 WeakPolarHBondContact O-CB 3.4Å; T225-A229 PolarHBondContact O-N 3.26Å; L226-A229 PolarHBondContact O-N 3.49Å; R227-A229 VanDerWaalsContact C-N 3.35Å; R227-A229 PolarHBondContact O-N 3.49Å; A229-Y232 PolarHBondContact O-N 3.22Å; A229-I233 WeakPolarHBondContact O-CG1 3.4Å; A229-I233 PolarHBondContact O-N 2.9Å |
| 230 | C | 94.8 | Very high | 92.1 | Very high | 63 Ų | 63 | 53.5 Ų | 53.5 | 43% | 0.426 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 174.6 | -70.5 | 0 | 0 | 0 | 0 | 112.2 | L226 R227 G234 | L226-C230 PolarHBondContact O-N 2.96Å; L226-C230 PolarHBondContact O-SG 2.86Å; L226-C230 VanDerWaalsContact O-SG 3.35Å; R227-C230 WeakPolarHBondContact O-CB 3.44Å; R227-C230 PolarHBondContact O-N 2.63Å; C230-G234 PolarHBondContact O-N 3.18Å |
| 231 | N | 93.9 | Very high | 92.7 | Very high | 21 Ų | 21 | 58.3 Ų | 58.3 | 11% | 0.112 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 176.7 | -65 | -6.5 | 0 | 0 | 0 | 111.2 | R227 L228 G234 L235 Y254 L255 H257 | R227-N231 VanDerWaalsContact O-CG 3.23Å; R227-N231 PolarHBondContact O-N 2.91Å; R227-N231 PolarHBondContact O-OD1 2.94Å; L228-N231 PolarHBondContact O-N 2.63Å; N231-G234 PolarHBondContact O-N 3.09Å; N231-L235 WeakPolarHBondContact O-CB 3.43Å; N231-L235 PolarHBondContact O-N 3.15Å; N231-Y254 WeakPolarHBondContact O-CE1 3.48Å; N231-L255 HydrophobicContact CB-CD1 3.88Å; N231-L255 PolarHBondContact ND2-O 3.02Å; N231-H257 PolarHBondContact ND2-O 3.13Å |
| 232 | Y | 93.7 | Very high | 92.4 | Very high | 66 Ų | 66 | 63.6 Ų | 63.6 | 26% | 0.259 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 178 | -175.8 | -131 | 0 | 0 | 0 | 112.3 | H153 P155 L228 A229 G234 L235 L236 L255 | H153-Y232 VanDerWaalsContact O-CE1 3.32Å; H153-Y232 WeakPolarHBondContact O-CE1 3.27Å; P155-Y232 HydrophobicContact CG-CD1 4.37Å; P155-Y232 HydrophobicContact CG-CD2 3.72Å; P155-Y232 HydrophobicContact CG-CE1 4Å; P155-Y232 HydrophobicContact CG-CE2 3.3Å; P155-Y232 HydrophobicContact CG-CG 4.24Å; P155-Y232 VanDerWaalsContact CG-CZ 3.45Å; L228-Y232 WeakPolarHBondContact O-CB 3.28Å; L228-Y232 PolarHBondContact O-N 3.47Å; A229-Y232 PolarHBondContact O-N 3.22Å; Y232-G234 VanDerWaalsContact C-N 3.31Å; Y232-G234 PolarHBondContact O-N 3Å; Y232-L235 HydrophobicContact CD2-CD2 4.46Å; Y232-L235 WeakPolarHBondContact O-CB 3.46Å; Y232-L235 PolarHBondContact O-N 3.41Å; Y232-L236 HydrophobicContact CD1-CD1 4.25Å; Y232-L236 HydrophobicContact CD2-CD1 4.49Å; Y232-L236 HydrophobicContact CD2-CG 4.24Å; Y232-L236 HydrophobicContact CE1-CD1 3.8Å; Y232-L236 HydrophobicContact CE2-CD1 4.03Å; Y232-L236 HydrophobicContact CE2-CD2 3.94Å; Y232-L236 HydrophobicContact CE2-CG 3.87Å; Y232-L236 WeakPolarHBondContact O-CG 3.25Å; Y232-L236 PolarHBondContact O-N 3.34Å; Y232-L255 HydrophobicContact CD2-CD1 4.47Å |
| 233 | I | 94.9 | Very high | 91.9 | Very high | 113 Ų | 113 | 62.2 Ų | 62.2 | 58% | 0.579 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61 | -42 | 173.2 | -66.8 | 165.1 | 0 | 0 | 0 | 110.7 | A229 L235 L236 A237 | A229-I233 WeakPolarHBondContact O-CG1 3.4Å; A229-I233 PolarHBondContact O-N 2.9Å; I233-L235 PolarHBondContact O-N 3.1Å; I233-L236 PolarHBondContact O-N 2.99Å; I233-A237 VanDerWaalsContact O-CB 3.26Å; I233-A237 WeakPolarHBondContact O-CB 3.32Å; I233-A237 PolarHBondContact O-N 3.22Å |
| 234 | G | 93 | Very high | 91.2 | Very high | 12 Ų | 12 | 65.5 Ų | 65.5 | 12% | 0.124 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C230 N231 Y232 S238 Y254 | C230-G234 PolarHBondContact O-N 3.18Å; N231-G234 PolarHBondContact O-N 3.09Å; Y232-G234 VanDerWaalsContact C-N 3.31Å; Y232-G234 PolarHBondContact O-N 3Å; G234-S238 WeakPolarHBondContact O-CB 3.44Å; G234-S238 PolarHBondContact O-N 3.28Å; G234-S238 PolarHBondContact O-OG 3.41Å; G234-Y254 VanDerWaalsContact C-OH 3.29Å; G234-Y254 PolarHBondContact O-OH 3.31Å |
| 235 | L | 92.2 | Very high | 90.9 | Very high | 8 Ų | 8 | 66.1 Ų | 66.1 | 4% | 0.042 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.2 | -51.5 | 176.1 | 174.7 | 64.9 | 0 | 0 | 0 | 110.9 | N231 Y232 I233 A237 S238 I239 F245 I251 Y254 L255 | N231-L235 WeakPolarHBondContact O-CB 3.43Å; N231-L235 PolarHBondContact O-N 3.15Å; Y232-L235 HydrophobicContact CD2-CD2 4.46Å; Y232-L235 WeakPolarHBondContact O-CB 3.46Å; Y232-L235 PolarHBondContact O-N 3.41Å; I233-L235 PolarHBondContact O-N 3.1Å; L235-A237 VanDerWaalsContact C-N 3.3Å; L235-A237 PolarHBondContact O-N 3.33Å; L235-S238 WeakPolarHBondContact O-CB 3.4Å; L235-S238 PolarHBondContact O-N 3.29Å; L235-I239 HydrophobicContact CD1-CD1 4.17Å; L235-I239 HydrophobicContact CG-CD1 4.08Å; L235-I239 WeakPolarHBondContact O-CG1 3.26Å; L235-I239 PolarHBondContact O-N 3.3Å; L235-F245 HydrophobicContact CD1-CE1 4.03Å; L235-F245 HydrophobicContact CD1-CE2 3.78Å; L235-F245 HydrophobicContact CD1-CZ 3.49Å; L235-F245 VanDerWaalsContact CD1-CZ 3.49Å; L235-I251 HydrophobicContact CD1-CG1 4.46Å; L235-I251 HydrophobicContact CD1-CG2 4Å; L235-I251 HydrophobicContact CD2-CG2 3.71Å; L235-Y254 HydrophobicContact CB-CD1 3.94Å; L235-Y254 HydrophobicContact CB-CE1 4.02Å; L235-Y254 HydrophobicContact CD1-CD1 4.47Å; L235-Y254 VanDerWaalsContact N-CE1 3.35Å; L235-L255 HydrophobicContact CD2-CD2 4.07Å |
| 236 | L | 92.2 | Very high | 90.3 | Very high | 69 Ų | 69 | 74 Ų | 74 | 36% | 0.361 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.5 | -41.4 | 176.5 | -67.2 | 178.2 | 0 | 0 | 0 | 111.5 | Y232 I233 S238 I239 L240 | Y232-L236 HydrophobicContact CD1-CD1 4.25Å; Y232-L236 HydrophobicContact CD2-CD1 4.49Å; Y232-L236 HydrophobicContact CD2-CG 4.24Å; Y232-L236 HydrophobicContact CE1-CD1 3.8Å; Y232-L236 HydrophobicContact CE2-CD1 4.03Å; Y232-L236 HydrophobicContact CE2-CD2 3.94Å; Y232-L236 HydrophobicContact CE2-CG 3.87Å; Y232-L236 WeakPolarHBondContact O-CG 3.25Å; Y232-L236 PolarHBondContact O-N 3.34Å; I233-L236 PolarHBondContact O-N 2.99Å; L236-S238 VanDerWaalsContact C-N 3.29Å; L236-S238 PolarHBondContact O-N 3.17Å; L236-I239 PolarHBondContact O-N 2.93Å; L236-L240 WeakPolarHBondContact O-CB 3.26Å; L236-L240 VanDerWaalsContact O-CG 3.28Å; L236-L240 WeakPolarHBondContact O-CG 3.4Å; L236-L240 PolarHBondContact O-N 2.91Å |
| 237 | A | 93 | Very high | 89.7 | Confident | 41 Ų | 41 | 71.9 Ų | 71.9 | 34% | 0.339 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.2 | -34 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I233 L235 N241 | I233-A237 VanDerWaalsContact O-CB 3.26Å; I233-A237 WeakPolarHBondContact O-CB 3.32Å; I233-A237 PolarHBondContact O-N 3.22Å; L235-A237 VanDerWaalsContact C-N 3.3Å; L235-A237 PolarHBondContact O-N 3.33Å; A237-N241 PolarHBondContact O-N 2.94Å; A237-N241 PolarHBondContact O-ND2 3.05Å |
| 238 | S | 91.3 | Very high | 89.2 | Confident | 12 Ų | 12 | 71.6 Ų | 71.6 | 8% | 0.084 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.4 | -44.3 | 176.3 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | G234 L235 L236 L240 N241 I243 | G234-S238 WeakPolarHBondContact O-CB 3.44Å; G234-S238 PolarHBondContact O-N 3.28Å; G234-S238 PolarHBondContact O-OG 3.41Å; L235-S238 WeakPolarHBondContact O-CB 3.4Å; L235-S238 PolarHBondContact O-N 3.29Å; L236-S238 VanDerWaalsContact C-N 3.29Å; L236-S238 PolarHBondContact O-N 3.17Å; S238-L240 PolarHBondContact O-N 3.33Å; S238-N241 CarbonylContact O-C 3.59Å; S238-N241 PolarHBondContact O-N 3.23Å; S238-N241 VanDerWaalsContact O-N 3.16Å; S238-I243 VanDerWaalsContact O-CB 3.31Å; S238-I243 WeakPolarHBondContact O-CB 3.5Å; S238-I243 WeakPolarHBondContact O-CG1 3.38Å; S238-I243 PolarHBondContact O-N 3.28Å |
| 239 | I | 90.4 | Very high | 88.8 | Confident | 86 Ų | 86 | 74.1 Ų | 74.1 | 44% | 0.441 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 174.2 | -64.3 | 165.7 | 0 | 0 | 0 | 111 | L235 L236 N241 D242 F245 | L235-I239 HydrophobicContact CD1-CD1 4.17Å; L235-I239 HydrophobicContact CG-CD1 4.08Å; L235-I239 WeakPolarHBondContact O-CG1 3.26Å; L235-I239 PolarHBondContact O-N 3.3Å; L236-I239 PolarHBondContact O-N 2.93Å; I239-N241 PolarHBondContact O-N 3.11Å; I239-D242 PolarHBondContact O-N 3.25Å; I239-F245 HydrophobicContact CG1-CD2 4.45Å; I239-F245 HydrophobicContact CG1-CE2 3.99Å |
| 240 | L | 92.1 | Very high | 88.4 | Confident | 143 Ų | 143 | 74.5 Ų | 74.5 | 75% | 0.749 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -10.3 | 177.7 | -72.6 | 171.3 | 0 | 0 | 0 | 114.8 | L236 S238 | L236-L240 WeakPolarHBondContact O-CB 3.26Å; L236-L240 VanDerWaalsContact O-CG 3.28Å; L236-L240 WeakPolarHBondContact O-CG 3.4Å; L236-L240 PolarHBondContact O-N 2.91Å; S238-L240 PolarHBondContact O-N 3.33Å |
| 241 | N | 92.9 | Very high | 88 | Confident | 116 Ų | 116 | 74.1 Ų | 74.1 | 62% | 0.62 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 24.6 | 173.6 | -72.2 | -73.6 | 0 | 0 | 0 | 111.4 | A237 S238 I239 I243 | A237-N241 PolarHBondContact O-N 2.94Å; A237-N241 PolarHBondContact O-ND2 3.05Å; S238-N241 CarbonylContact O-C 3.59Å; S238-N241 PolarHBondContact O-N 3.23Å; S238-N241 VanDerWaalsContact O-N 3.16Å; I239-N241 PolarHBondContact O-N 3.11Å; N241-I243 HydrophobicContact CB-CG1 4.45Å; N241-I243 PolarHBondContact O-N 3.12Å; N241-I243 VanDerWaalsContact O-N 3.11Å |
| 242 | D | 84.5 | Confident | 87.6 | Confident | 155 Ų | 155 | 73.5 Ų | 73.5 | 83% | 0.829 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 28.2 | 179.6 | -59.6 | -43.4 | 0 | 0 | 0 | 114.6 | I239 H244 | I239-D242 PolarHBondContact O-N 3.25Å; D242-H244 PolarHBondContact O-N 3.03Å; D242-H244 VanDerWaalsContact O-N 3.12Å |
| 243 | I | 80.8 | Confident | 87.3 | Confident | 68 Ų | 68 | 73.3 Ų | 73.3 | 35% | 0.349 | 39% | 0.385 | S | S | . | . | trans | -74.4 | 105.6 | 172.9 | -56.3 | -176.2 | 0 | 0 | 0 | 108.4 | S238 N241 F245 | S238-I243 VanDerWaalsContact O-CB 3.31Å; S238-I243 WeakPolarHBondContact O-CB 3.5Å; S238-I243 WeakPolarHBondContact O-CG1 3.38Å; S238-I243 PolarHBondContact O-N 3.28Å; N241-I243 HydrophobicContact CB-CG1 4.45Å; N241-I243 PolarHBondContact O-N 3.12Å; N241-I243 VanDerWaalsContact O-N 3.11Å; I243-F245 WeakPolarHBondContact O-CD2 3.44Å | ||
| 244 | H | 79.5 | Confident | 87 | Confident | 159 Ų | 159 | 69.4 Ų | 69.4 | 74% | 0.736 | 36% | 0.364 | S | S | * | . | trans | -69.1 | 129.5 | 177.5 | -170 | -82.8 | 0 | 0 | 0 | 111.5 | D242 | D242-H244 PolarHBondContact O-N 3.03Å; D242-H244 VanDerWaalsContact O-N 3.12Å | ||
| 245 | F | 83.3 | Confident | 86.8 | Confident | 43 Ų | 43 | 69.2 Ų | 69.2 | 19% | 0.189 | 36% | 0.359 | C | S | . | . | trans | -97.6 | 121.1 | 169.4 | -67.1 | -91.6 | 0 | 0 | 0 | 108.7 | L235 I239 I243 S247 D250 I251 Y254 | L235-F245 HydrophobicContact CD1-CE1 4.03Å; L235-F245 HydrophobicContact CD1-CE2 3.78Å; L235-F245 HydrophobicContact CD1-CZ 3.49Å; L235-F245 VanDerWaalsContact CD1-CZ 3.49Å; I239-F245 HydrophobicContact CG1-CD2 4.45Å; I239-F245 HydrophobicContact CG1-CE2 3.99Å; I243-F245 WeakPolarHBondContact O-CD2 3.44Å; F245-S247 VanDerWaalsContact C-N 3.26Å; F245-S247 PolarHBondContact O-N 3.39Å; F245-D250 HydrophobicContact CD1-CB 4.14Å; F245-I251 HydrophobicContact CB-CD1 4.21Å; F245-I251 HydrophobicContact CB-CG1 3.75Å; F245-I251 HydrophobicContact CD1-CG1 3.9Å; F245-I251 HydrophobicContact CD2-CG1 4.2Å; F245-I251 HydrophobicContact CG-CD1 4.42Å; F245-I251 HydrophobicContact CG-CG1 3.68Å; F245-Y254 HydrophobicContact CE1-CD2 4.18Å; F245-Y254 HydrophobicContact CE1-CG 4.42Å | ||
| 246 | E | 79.5 | Confident | 86.7 | Confident | 166 Ų | 166 | 69.2 Ų | 69.2 | 78% | 0.776 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -66.1 | -28.7 | -175.7 | -66.3 | 174 | -165.9 | 0 | 0 | 112.9 | ||
| 247 | S | 81.9 | Confident | 86.5 | Confident | 42 Ų | 42 | 70.2 Ų | 70.2 | 29% | 0.294 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -146 | 159.5 | 177.2 | 75.1 | 0 | 0 | 0 | 0 | 113 | F245 T249 D250 I251 | F245-S247 VanDerWaalsContact C-N 3.26Å; F245-S247 PolarHBondContact O-N 3.39Å; S247-T249 PolarHBondContact O-N 3.22Å; S247-T249 PolarHBondContact OG-N 3.19Å; S247-T249 PolarHBondContact OG-OG1 3.42Å; S247-D250 WeakPolarHBondContact CA-OD2 3.35Å; S247-D250 WeakPolarHBondContact CB-OD2 3.3Å; S247-D250 PolarHBondContact N-OD2 3.4Å; S247-D250 WeakPolarHBondContact O-CB 3.28Å; S247-D250 PolarHBondContact O-N 3.49Å; S247-D250 PolarHBondContact OG-N 2.98Å; S247-D250 PolarHBondContact OG-OD2 2.82Å; S247-I251 PolarHBondContact O-N 2.57Å |
| 248 | I | 83.8 | Confident | 86.3 | Confident | 113 Ų | 113 | 69.7 Ų | 69.7 | 58% | 0.579 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -53.5 | -34.1 | 166 | -67.3 | 161.4 | 0 | 0 | 0 | 110.5 | D250 I251 I252 | I248-D250 PolarHBondContact O-N 3.15Å; I248-I251 WeakPolarHBondContact O-CB 3.42Å; I248-I251 PolarHBondContact O-N 3.07Å; I248-I252 HydrophobicContact CG2-CD1 3.88Å; I248-I252 HydrophobicContact CG2-CG1 4.25Å; I248-I252 WeakPolarHBondContact O-CG1 3.5Å; I248-I252 PolarHBondContact O-N 3.39Å |
| 249 | T | 83.1 | Confident | 86.2 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 33% | 0.325 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65 | -27 | 179.5 | 76 | 0 | 0 | 0 | 0 | 113.1 | S247 I252 K253 | S247-T249 PolarHBondContact O-N 3.22Å; S247-T249 PolarHBondContact OG-N 3.19Å; S247-T249 PolarHBondContact OG-OG1 3.42Å; T249-I252 PolarHBondContact O-N 3.38Å; T249-K253 WeakPolarHBondContact O-CB 3.48Å; T249-K253 WeakPolarHBondContact O-CG 3.27Å; T249-K253 PolarHBondContact O-N 3.11Å |
| 250 | D | 84.7 | Confident | 86.2 | Confident | 15 Ų | 15 | 67.5 Ų | 67.5 | 8% | 0.08 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -74.8 | -37.7 | 177 | -52.2 | -51.2 | 0 | 0 | 0 | 111.3 | F245 S247 I248 I252 K253 Y254 Y313 | F245-D250 HydrophobicContact CD1-CB 4.14Å; S247-D250 WeakPolarHBondContact CA-OD2 3.35Å; S247-D250 WeakPolarHBondContact CB-OD2 3.3Å; S247-D250 PolarHBondContact N-OD2 3.4Å; S247-D250 WeakPolarHBondContact O-CB 3.28Å; S247-D250 PolarHBondContact O-N 3.49Å; S247-D250 PolarHBondContact OG-N 2.98Å; S247-D250 PolarHBondContact OG-OD2 2.82Å; I248-D250 PolarHBondContact O-N 3.15Å; D250-I252 VanDerWaalsContact C-N 3.32Å; D250-I252 PolarHBondContact O-N 3.23Å; D250-K253 PolarHBondContact O-N 3.47Å; D250-K253 IonicContact OD1-NZ 2.97Å; D250-K253 PolarHBondContact OD1-NZ 3.19Å; D250-Y254 VanDerWaalsContact O-CB 3.3Å; D250-Y254 WeakPolarHBondContact O-CB 3.24Å; D250-Y254 PolarHBondContact O-N 3.35Å; D250-Y313 PolarHBondContact OD1-OH 3.28Å |
| 251 | I | 87.4 | Confident | 85.9 | Confident | 56 Ų | 56 | 65 Ų | 65 | 29% | 0.287 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 170.1 | -61.5 | 175.1 | 0 | 0 | 0 | 110.1 | L235 F245 S247 I248 Y254 L255 | L235-I251 HydrophobicContact CD1-CG1 4.46Å; L235-I251 HydrophobicContact CD1-CG2 4Å; L235-I251 HydrophobicContact CD2-CG2 3.71Å; F245-I251 HydrophobicContact CB-CD1 4.21Å; F245-I251 HydrophobicContact CB-CG1 3.75Å; F245-I251 HydrophobicContact CD1-CG1 3.9Å; F245-I251 HydrophobicContact CD2-CG1 4.2Å; F245-I251 HydrophobicContact CG-CD1 4.42Å; F245-I251 HydrophobicContact CG-CG1 3.68Å; S247-I251 PolarHBondContact O-N 2.57Å; I248-I251 WeakPolarHBondContact O-CB 3.42Å; I248-I251 PolarHBondContact O-N 3.07Å; I251-Y254 PolarHBondContact O-N 2.77Å; I251-L255 VanDerWaalsContact O-CB 3.26Å; I251-L255 WeakPolarHBondContact O-CB 3.48Å; I251-L255 PolarHBondContact O-N 3.03Å |
| 252 | I | 86.1 | Confident | 85.5 | Confident | 8 Ų | 8 | 64.7 Ų | 64.7 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.3 | -45 | 178.6 | -56.3 | 171.4 | 0 | 0 | 0 | 111.2 | I248 T249 D250 Y254 L255 C256 I267 L271 L278 | I248-I252 HydrophobicContact CG2-CD1 3.88Å; I248-I252 HydrophobicContact CG2-CG1 4.25Å; I248-I252 WeakPolarHBondContact O-CG1 3.5Å; I248-I252 PolarHBondContact O-N 3.39Å; T249-I252 PolarHBondContact O-N 3.38Å; D250-I252 VanDerWaalsContact C-N 3.32Å; D250-I252 PolarHBondContact O-N 3.23Å; I252-Y254 VanDerWaalsContact C-N 3.31Å; I252-Y254 PolarHBondContact O-N 3.39Å; I252-L255 PolarHBondContact O-N 2.79Å; I252-C256 VanDerWaalsContact O-CB 3.27Å; I252-C256 WeakPolarHBondContact O-CB 3.36Å; I252-C256 PolarHBondContact O-N 2.87Å; I252-C256 PolarHBondContact O-SG 3.41Å; I252-C256 VanDerWaalsContact O-SG 3.34Å; I252-I267 HydrophobicContact CG2-CG2 4.29Å; I252-L271 HydrophobicContact CB-CD1 4.32Å; I252-L271 HydrophobicContact CD1-CB 3.84Å; I252-L271 HydrophobicContact CD1-CD1 3.5Å; I252-L271 HydrophobicContact CD1-CG 4.31Å; I252-L271 HydrophobicContact CG1-CD1 3.49Å; I252-L271 VanDerWaalsContact CG1-CD1 3.49Å; I252-L271 HydrophobicContact CG2-CD1 3.87Å; I252-L278 HydrophobicContact CB-CD2 4.2Å; I252-L278 HydrophobicContact CG2-CD1 3.78Å; I252-L278 HydrophobicContact CG2-CD2 3.7Å; I252-L278 HydrophobicContact CG2-CG 4.37Å |
| 253 | K | 86.7 | Confident | 85.6 | Confident | 62 Ų | 62 | 57.6 Ų | 57.6 | 27% | 0.27 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.3 | -44.8 | 175.2 | -73.4 | 165.1 | -165.9 | 163.2 | 0 | 111.4 | T249 D250 H257 L278 Y313 | T249-K253 WeakPolarHBondContact O-CB 3.48Å; T249-K253 WeakPolarHBondContact O-CG 3.27Å; T249-K253 PolarHBondContact O-N 3.11Å; D250-K253 PolarHBondContact O-N 3.47Å; D250-K253 IonicContact OD1-NZ 2.97Å; D250-K253 PolarHBondContact OD1-NZ 3.19Å; K253-H257 PolarHBondContact O-N 3.31Å; K253-L278 HydrophobicContact CB-CD2 4.28Å; K253-L278 HydrophobicContact CG-CD2 3.7Å; K253-Y313 HydrophobicContact CD-CE1 4.31Å; K253-Y313 WeakPolarHBondContact CD-OH 3.49Å; K253-Y313 PolarHBondContact NZ-OH 2.78Å |
| 254 | Y | 88.5 | Confident | 85.9 | Confident | 31 Ų | 31 | 54.6 Ų | 54.6 | 12% | 0.122 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 177.5 | -168.1 | -75.3 | 0 | 0 | 0 | 111 | N231 G234 L235 F245 D250 I251 I252 H257 | N231-Y254 WeakPolarHBondContact O-CE1 3.48Å; G234-Y254 VanDerWaalsContact C-OH 3.29Å; G234-Y254 PolarHBondContact O-OH 3.31Å; L235-Y254 HydrophobicContact CB-CD1 3.94Å; L235-Y254 HydrophobicContact CB-CE1 4.02Å; L235-Y254 HydrophobicContact CD1-CD1 4.47Å; L235-Y254 VanDerWaalsContact N-CE1 3.35Å; F245-Y254 HydrophobicContact CE1-CD2 4.18Å; F245-Y254 HydrophobicContact CE1-CG 4.42Å; D250-Y254 VanDerWaalsContact O-CB 3.3Å; D250-Y254 WeakPolarHBondContact O-CB 3.24Å; D250-Y254 PolarHBondContact O-N 3.35Å; I251-Y254 PolarHBondContact O-N 2.77Å; I252-Y254 VanDerWaalsContact C-N 3.31Å; I252-Y254 PolarHBondContact O-N 3.39Å; Y254-H257 VanDerWaalsContact O-CB 3.25Å; Y254-H257 WeakPolarHBondContact O-CB 3.32Å; Y254-H257 PolarHBondContact O-N 3.39Å |
| 255 | L | 89.3 | Confident | 86 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -74.6 | -32.2 | -174.4 | -165 | 50 | 0 | 0 | 0 | 112.9 | L158 L228 N231 Y232 L235 I251 I252 H257 | L158-L255 HydrophobicContact CD1-CD2 3.5Å; L158-L255 VanDerWaalsContact CD1-CD2 3.5Å; L158-L255 HydrophobicContact CD2-CB 4.28Å; L158-L255 HydrophobicContact CD2-CD2 3.35Å; L158-L255 HydrophobicContact CD2-CG 3.5Å; L158-L255 HydrophobicContact CG-CD2 4.07Å; L228-L255 HydrophobicContact CD1-CD1 3.56Å; L228-L255 HydrophobicContact CD1-CG 3.71Å; N231-L255 HydrophobicContact CB-CD1 3.88Å; N231-L255 PolarHBondContact ND2-O 3.02Å; Y232-L255 HydrophobicContact CD2-CD1 4.47Å; L235-L255 HydrophobicContact CD2-CD2 4.07Å; I251-L255 VanDerWaalsContact O-CB 3.26Å; I251-L255 WeakPolarHBondContact O-CB 3.48Å; I251-L255 PolarHBondContact O-N 3.03Å; I252-L255 PolarHBondContact O-N 2.79Å; L255-H257 VanDerWaalsContact C-N 3.32Å |
| 256 | C | 89.5 | Confident | 85.9 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 5% | 0.054 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -3.1 | 173.5 | -66.4 | 0 | 0 | 0 | 0 | 114.5 | I252 G258 L259 T264 I267 | I252-C256 VanDerWaalsContact O-CB 3.27Å; I252-C256 WeakPolarHBondContact O-CB 3.36Å; I252-C256 PolarHBondContact O-N 2.87Å; I252-C256 PolarHBondContact O-SG 3.41Å; I252-C256 VanDerWaalsContact O-SG 3.34Å; C256-G258 PolarHBondContact O-N 3.03Å; C256-L259 WeakPolarHBondContact O-CB 3.33Å; C256-L259 WeakPolarHBondContact O-CG 3.32Å; C256-L259 PolarHBondContact O-N 3.02Å; C256-L259 VanDerWaalsContact O-N 3.11Å; C256-T264 HydrophobicContact CB-CG2 3.96Å; C256-I267 VanDerWaalsContact SG-CG2 3.55Å |
| 257 | H | 88.6 | Confident | 85.8 | Confident | 90 Ų | 90 | 42.7 Ų | 42.7 | 42% | 0.417 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 122.5 | -174.1 | -174.5 | 81.4 | 0 | 0 | 0 | 112.2 | N231 K253 Y254 L255 L259 | N231-H257 PolarHBondContact ND2-O 3.13Å; K253-H257 PolarHBondContact O-N 3.31Å; Y254-H257 VanDerWaalsContact O-CB 3.25Å; Y254-H257 WeakPolarHBondContact O-CB 3.32Å; Y254-H257 PolarHBondContact O-N 3.39Å; L255-H257 VanDerWaalsContact C-N 3.32Å; H257-L259 VanDerWaalsContact C-N 3.26Å; H257-L259 PolarHBondContact O-N 3.19Å |
| 258 | G | 88.5 | Confident | 85.5 | Confident | 31 Ų | 31 | 40.7 Ų | 40.7 | 32% | 0.32 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 11.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | R227 C256 | R227-G258 VanDerWaalsContact CD-O 3.3Å; R227-G258 WeakPolarHBondContact CD-O 3.15Å; R227-G258 PolarHBondContact NH1-O 3.32Å; C256-G258 PolarHBondContact O-N 3.03Å |
| 259 | L | 90.1 | Very high | 84.9 | Confident | 16 Ų | 16 | 38.9 Ų | 38.9 | 8% | 0.084 | 22% | 0.217 | C | C | . | . | trans | -76 | 165.2 | 168.7 | -58.3 | -175 | 0 | 0 | 0 | 111.3 | R227 L228 C256 H257 T263 I267 | R227-L259 HydrophobicContact CB-CD2 3.74Å; L228-L259 HydrophobicContact CB-CD2 4.15Å; L228-L259 HydrophobicContact CD1-CD1 4.19Å; C256-L259 WeakPolarHBondContact O-CB 3.33Å; C256-L259 WeakPolarHBondContact O-CG 3.32Å; C256-L259 PolarHBondContact O-N 3.02Å; C256-L259 VanDerWaalsContact O-N 3.11Å; H257-L259 VanDerWaalsContact C-N 3.26Å; H257-L259 PolarHBondContact O-N 3.19Å; L259-T263 HydrophobicContact CB-CG2 4.39Å; L259-T263 HydrophobicContact CD1-CG2 3.91Å; L259-I267 HydrophobicContact CD1-CD1 3.48Å; L259-I267 VanDerWaalsContact CD1-CD1 3.48Å | ||
| 260 | S | 88.7 | Confident | 84.2 | Confident | 36 Ų | 36 | 37.1 Ų | 37.1 | 25% | 0.252 | 21% | 0.207 | S | C | . | . | trans | -66.4 | 154 | 174.4 | 73.4 | 0 | 0 | 0 | 0 | 110.8 | E224 I262 T263 T264 | E224-S260 WeakPolarHBondContact OE1-CB 3.29Å; E224-S260 PolarHBondContact OE1-OG 2.97Å; S260-I262 PolarHBondContact O-N 3.27Å; S260-T263 PolarHBondContact O-N 3.47Å; S260-T263 PolarHBondContact OG-N 3.42Å; S260-T263 VanDerWaalsContact OG-N 3.15Å; S260-T263 PolarHBondContact OG-OG1 2.89Å; S260-T263 VanDerWaalsContact OG-OG1 3.09Å; S260-T264 PolarHBondContact O-N 3.27Å; S260-T264 PolarHBondContact O-OG1 2.96Å | ||
| 261 | Q | 86.2 | Confident | 83.4 | Confident | 91 Ų | 91 | 38.1 Ų | 38.1 | 43% | 0.425 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -52.4 | -40.1 | 174.7 | -171.9 | 64.6 | 51.4 | 0 | 0 | 112.1 | N265 M279 | Q261-N265 PolarHBondContact NE2-OD1 3.39Å; Q261-N265 VanDerWaalsContact O-CB 3.29Å; Q261-N265 WeakPolarHBondContact O-CB 3.18Å; Q261-N265 PolarHBondContact O-N 3.29Å; Q261-N265 PolarHBondContact O-OD1 3.31Å; Q261-M279 PolarHBondContact NE2-SD 2.9Å; Q261-M279 PolarHBondContact OE1-SD 3.48Å |
| 262 | I | 84.8 | Confident | 82.3 | Confident | 109 Ų | 109 | 44.5 Ų | 44.5 | 56% | 0.559 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.9 | -50.5 | -178 | -60.7 | 173.2 | 0 | 0 | 0 | 109.6 | S260 N265 Q266 | S260-I262 PolarHBondContact O-N 3.27Å; I262-N265 PolarHBondContact O-N 2.99Å; I262-Q266 VanDerWaalsContact O-CG 3.28Å; I262-Q266 WeakPolarHBondContact O-CG 3.28Å; I262-Q266 PolarHBondContact O-N 3.11Å |
| 263 | T | 86.1 | Confident | 81.2 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.8 | -43 | 177.9 | -58.3 | 0 | 0 | 0 | 0 | 112 | L220 E224 L259 S260 N265 Q266 I267 | L220-T263 HydrophobicContact CD2-CG2 3.68Å; E224-T263 VanDerWaalsContact CD-OG1 3.24Å; E224-T263 PolarHBondContact OE1-OG1 3.11Å; L259-T263 HydrophobicContact CB-CG2 4.39Å; L259-T263 HydrophobicContact CD1-CG2 3.91Å; S260-T263 PolarHBondContact O-N 3.47Å; S260-T263 PolarHBondContact OG-N 3.42Å; S260-T263 VanDerWaalsContact OG-N 3.15Å; S260-T263 PolarHBondContact OG-OG1 2.89Å; S260-T263 VanDerWaalsContact OG-OG1 3.09Å; T263-N265 VanDerWaalsContact C-N 3.32Å; T263-N265 PolarHBondContact O-N 3.24Å; T263-Q266 PolarHBondContact O-N 2.88Å; T263-I267 HydrophobicContact CG2-CD1 3.75Å; T263-I267 HydrophobicContact CG2-CG1 4.39Å; T263-I267 WeakPolarHBondContact O-CD1 3.35Å; T263-I267 VanDerWaalsContact O-CG1 3.26Å; T263-I267 WeakPolarHBondContact O-CG1 3.4Å; T263-I267 PolarHBondContact O-N 2.77Å |
| 264 | T | 86.7 | Confident | 79.8 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 176.2 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | C256 S260 I267 A268 M279 | C256-T264 HydrophobicContact CB-CG2 3.96Å; S260-T264 PolarHBondContact O-N 3.27Å; S260-T264 PolarHBondContact O-OG1 2.96Å; T264-I267 PolarHBondContact O-N 2.88Å; T264-A268 VanDerWaalsContact O-CB 3.24Å; T264-A268 WeakPolarHBondContact O-CB 3.44Å; T264-A268 PolarHBondContact O-N 2.81Å; T264-M279 HydrophobicContact CG2-CE 3.73Å |
| 265 | N | 82.6 | Confident | 78.3 | Confident | 67 Ų | 67 | 47.8 Ų | 47.8 | 36% | 0.358 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.9 | -39 | 175.4 | -71.8 | -3.2 | 0 | 0 | 0 | 112.2 | Q261 I262 T263 A268 A269 | Q261-N265 PolarHBondContact NE2-OD1 3.39Å; Q261-N265 VanDerWaalsContact O-CB 3.29Å; Q261-N265 WeakPolarHBondContact O-CB 3.18Å; Q261-N265 PolarHBondContact O-N 3.29Å; Q261-N265 PolarHBondContact O-OD1 3.31Å; I262-N265 PolarHBondContact O-N 2.99Å; T263-N265 VanDerWaalsContact C-N 3.32Å; T263-N265 PolarHBondContact O-N 3.24Å; N265-A268 PolarHBondContact O-N 2.85Å; N265-A269 WeakPolarHBondContact O-CB 3.26Å; N265-A269 PolarHBondContact O-N 3.44Å |
| 266 | Q | 80.2 | Confident | 76.5 | Confident | 49 Ų | 49 | 51.4 Ų | 51.4 | 23% | 0.229 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 174.9 | -73.9 | 168.7 | -6.1 | 0 | 0 | 111.4 | F216 I262 T263 A270 | F216-Q266 HydrophobicContact CE1-CB 4.41Å; F216-Q266 HydrophobicContact CE1-CG 4.2Å; F216-Q266 HydrophobicContact CZ-CB 4.16Å; F216-Q266 HydrophobicContact CZ-CG 4.07Å; I262-Q266 VanDerWaalsContact O-CG 3.28Å; I262-Q266 WeakPolarHBondContact O-CG 3.28Å; I262-Q266 PolarHBondContact O-N 3.11Å; T263-Q266 PolarHBondContact O-N 2.88Å; Q266-A270 WeakPolarHBondContact O-CB 3.47Å; Q266-A270 PolarHBondContact O-N 2.85Å |
| 267 | I | 78.3 | Confident | 74.9 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.8 | -49.2 | 174.6 | -65.1 | 160.7 | 0 | 0 | 0 | 110.3 | L158 I252 C256 L259 T263 T264 A269 A270 L271 | L158-I267 HydrophobicContact CB-CG1 4.16Å; L158-I267 HydrophobicContact CB-CG2 4.3Å; L158-I267 HydrophobicContact CD2-CD1 4.05Å; L158-I267 HydrophobicContact CD2-CG1 4.19Å; L158-I267 HydrophobicContact CD2-CG2 3.66Å; L158-I267 HydrophobicContact CG-CG2 3.91Å; L158-I267 VanDerWaalsContact O-CG1 3.3Å; L158-I267 WeakPolarHBondContact O-CG1 3.34Å; I252-I267 HydrophobicContact CG2-CG2 4.29Å; C256-I267 VanDerWaalsContact SG-CG2 3.55Å; L259-I267 HydrophobicContact CD1-CD1 3.48Å; L259-I267 VanDerWaalsContact CD1-CD1 3.48Å; T263-I267 HydrophobicContact CG2-CD1 3.75Å; T263-I267 HydrophobicContact CG2-CG1 4.39Å; T263-I267 WeakPolarHBondContact O-CD1 3.35Å; T263-I267 VanDerWaalsContact O-CG1 3.26Å; T263-I267 WeakPolarHBondContact O-CG1 3.4Å; T263-I267 PolarHBondContact O-N 2.77Å; T264-I267 PolarHBondContact O-N 2.88Å; I267-A269 VanDerWaalsContact C-N 3.27Å; I267-A269 PolarHBondContact O-N 2.94Å; I267-A270 WeakPolarHBondContact O-CB 3.34Å; I267-A270 PolarHBondContact O-N 2.67Å; I267-A270 VanDerWaalsContact O-N 3.1Å; I267-L271 HydrophobicContact CG2-CD1 3.58Å; I267-L271 HydrophobicContact CG2-CG 4.15Å; I267-L271 WeakPolarHBondContact O-CB 3.3Å; I267-L271 VanDerWaalsContact O-CG 3.27Å; I267-L271 WeakPolarHBondContact O-CG 3.31Å; I267-L271 PolarHBondContact O-N 3.41Å |
| 268 | A | 75.6 | Confident | 73.3 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.4 | -42.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | T264 N265 L271 Q272 S273 P275 L278 | T264-A268 VanDerWaalsContact O-CB 3.24Å; T264-A268 WeakPolarHBondContact O-CB 3.44Å; T264-A268 PolarHBondContact O-N 2.81Å; N265-A268 PolarHBondContact O-N 2.85Å; A268-L271 PolarHBondContact O-N 2.87Å; A268-Q272 PolarHBondContact O-N 2.72Å; A268-S273 WeakPolarHBondContact CA-OG 3.3Å; A268-S273 PolarHBondContact O-N 2.73Å; A268-S273 PolarHBondContact O-OG 3Å; A268-S273 VanDerWaalsContact O-OG 3.05Å; A268-P275 HydrophobicContact CB-CB 4.11Å; A268-L278 HydrophobicContact CB-CD1 3.63Å |
| 269 | A | 71.7 | Confident | 71.8 | Confident | 75 Ų | 75 | 58 Ų | 58 | 62% | 0.62 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.6 | -42.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | N265 I267 L271 Q272 | N265-A269 WeakPolarHBondContact O-CB 3.26Å; N265-A269 PolarHBondContact O-N 3.44Å; I267-A269 VanDerWaalsContact C-N 3.27Å; I267-A269 PolarHBondContact O-N 2.94Å; A269-L271 PolarHBondContact O-N 2.73Å; A269-Q272 PolarHBondContact O-N 2.91Å |
| 270 | A | 67.9 | Low | 70.1 | Confident | 15 Ų | 15 | 65.5 Ų | 65.5 | 12% | 0.124 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.2 | -31.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q266 I267 | Q266-A270 WeakPolarHBondContact O-CB 3.47Å; Q266-A270 PolarHBondContact O-N 2.85Å; I267-A270 WeakPolarHBondContact O-CB 3.34Å; I267-A270 PolarHBondContact O-N 2.67Å; I267-A270 VanDerWaalsContact O-N 3.1Å |
| 271 | L | 68.5 | Low | 68.2 | Low | 36 Ų | 36 | 69 Ų | 69 | 19% | 0.188 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 9 | -177.7 | -58.1 | -176.9 | 0 | 0 | 0 | 114 | L158 I163 I252 I267 A268 A269 S273 | L158-L271 HydrophobicContact CG-CD1 4.39Å; I163-L271 HydrophobicContact CD1-CD2 3.36Å; I163-L271 HydrophobicContact CG1-CD2 4.25Å; I252-L271 HydrophobicContact CB-CD1 4.32Å; I252-L271 HydrophobicContact CD1-CB 3.84Å; I252-L271 HydrophobicContact CD1-CD1 3.5Å; I252-L271 HydrophobicContact CD1-CG 4.31Å; I252-L271 HydrophobicContact CG1-CD1 3.49Å; I252-L271 VanDerWaalsContact CG1-CD1 3.49Å; I252-L271 HydrophobicContact CG2-CD1 3.87Å; I267-L271 HydrophobicContact CG2-CD1 3.58Å; I267-L271 HydrophobicContact CG2-CG 4.15Å; I267-L271 WeakPolarHBondContact O-CB 3.3Å; I267-L271 VanDerWaalsContact O-CG 3.27Å; I267-L271 WeakPolarHBondContact O-CG 3.31Å; I267-L271 PolarHBondContact O-N 3.41Å; A268-L271 PolarHBondContact O-N 2.87Å; A269-L271 PolarHBondContact O-N 2.73Å; L271-S273 PolarHBondContact O-N 3.19Å |
| 272 | Q | 64.4 | Low | 66 | Low | 190 Ų | 190 | 71.8 Ų | 71.8 | 89% | 0.888 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 25.7 | -177.3 | -54.3 | -178.4 | 27.9 | 0 | 0 | 114 | A268 A269 | A268-Q272 PolarHBondContact O-N 2.72Å; A269-Q272 PolarHBondContact O-N 2.91Å |
| 273 | S | 61.9 | Low | 63.9 | Low | 21 Ų | 21 | 73.5 Ų | 73.5 | 15% | 0.147 | 38% | 0.382 | C | S | . | . | trans | -97.6 | 134.6 | -178.7 | 62.8 | 0 | 0 | 0 | 0 | 110.7 | A268 L271 P275 L278 | A268-S273 WeakPolarHBondContact CA-OG 3.3Å; A268-S273 PolarHBondContact O-N 2.73Å; A268-S273 PolarHBondContact O-OG 3Å; A268-S273 VanDerWaalsContact O-OG 3.05Å; L271-S273 PolarHBondContact O-N 3.19Å; S273-P275 VanDerWaalsContact O-CD 3.28Å; S273-P275 WeakPolarHBondContact O-CD 3.44Å; S273-P275 VanDerWaalsContact O-N 3.09Å; S273-L278 WeakPolarHBondContact OG-CD1 3.39Å | ||
| 274 | D | 56.9 | Low | 61.5 | Low | 94 Ų | 94 | 79.3 Ų | 79.3 | 50% | 0.503 | 42% | 0.423 | S | S | . | . | trans | -53.1 | 114.3 | 175.5 | -96 | -32.2 | 0 | 0 | 0 | 110.6 | S276 R277 | D274-S276 PolarHBondContact O-N 3.35Å; D274-S276 VanDerWaalsContact O-N 3.15Å; D274-R277 HydrophobicContact CB-CB 4.2Å; D274-R277 HydrophobicContact CB-CG 3.77Å; D274-R277 PolarHBondContact O-N 3.48Å; D274-R277 IonicContact OD2-NE 3.38Å; D274-R277 PolarHBondContact OD2-NE 2.91Å | ||
| 275 | P | 57.3 | Low | 58.9 | Low | 56 Ų | 56 | 82.8 Ų | 82.8 | 36% | 0.364 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.8 | -29.7 | 178.7 | 23.4 | -32.6 | 0 | 0 | 0 | 111.6 | A268 S273 R277 L278 M279 | A268-P275 HydrophobicContact CB-CB 4.11Å; S273-P275 VanDerWaalsContact O-CD 3.28Å; S273-P275 WeakPolarHBondContact O-CD 3.44Å; S273-P275 VanDerWaalsContact O-N 3.09Å; P275-R277 PolarHBondContact O-N 3.16Å; P275-L278 PolarHBondContact O-N 2.81Å; P275-L278 VanDerWaalsContact O-N 3.12Å; P275-M279 PolarHBondContact O-N 3.13Å |
| 276 | S | 52.8 | Low | 56.5 | Low | 83 Ų | 83 | 85.1 Ų | 85.1 | 58% | 0.58 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.7 | -15.8 | 174.1 | -55.1 | 0 | 0 | 0 | 0 | 114.8 | D274 | D274-S276 PolarHBondContact O-N 3.35Å; D274-S276 VanDerWaalsContact O-N 3.15Å |
| 277 | R | 55.5 | Low | 54.3 | Low | 179 Ų | 179 | 90.8 Ų | 90.8 | 68% | 0.675 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -93.2 | -19.7 | 173.8 | -66.2 | -176.1 | -175.7 | -131.7 | -1.2 | 113.2 | D274 P275 | D274-R277 HydrophobicContact CB-CB 4.2Å; D274-R277 HydrophobicContact CB-CG 3.77Å; D274-R277 PolarHBondContact O-N 3.48Å; D274-R277 IonicContact OD2-NE 3.38Å; D274-R277 PolarHBondContact OD2-NE 2.91Å; P275-R277 PolarHBondContact O-N 3.16Å |
| 278 | L | 54.2 | Low | 52.2 | Low | 27 Ų | 27 | 99.1 Ų | 99.1 | 14% | 0.141 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -86 | -18 | 178.6 | -86.9 | 152.3 | 0 | 0 | 0 | 113.6 | I252 K253 A268 S273 P275 | I252-L278 HydrophobicContact CB-CD2 4.2Å; I252-L278 HydrophobicContact CG2-CD1 3.78Å; I252-L278 HydrophobicContact CG2-CD2 3.7Å; I252-L278 HydrophobicContact CG2-CG 4.37Å; K253-L278 HydrophobicContact CB-CD2 4.28Å; K253-L278 HydrophobicContact CG-CD2 3.7Å; A268-L278 HydrophobicContact CB-CD1 3.63Å; S273-L278 WeakPolarHBondContact OG-CD1 3.39Å; P275-L278 PolarHBondContact O-N 2.81Å; P275-L278 VanDerWaalsContact O-N 3.12Å |
| 279 | M | 57.9 | Low | 50.3 | Low | 61 Ų | 61 | 105.8 Ų | 105.8 | 30% | 0.3 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -102.8 | -2.5 | -166.7 | -87.1 | -70.6 | 132 | 0 | 0 | 116.7 | Q261 T264 P275 H281 | Q261-M279 PolarHBondContact NE2-SD 2.9Å; Q261-M279 PolarHBondContact OE1-SD 3.48Å; T264-M279 HydrophobicContact CG2-CE 3.73Å; P275-M279 PolarHBondContact O-N 3.13Å; M279-H281 VanDerWaalsContact C-N 3.28Å; M279-H281 PolarHBondContact O-N 3.08Å; M279-H281 VanDerWaalsContact O-N 3.14Å |
| 280 | K | 54.3 | Low | 48.5 | Very low | 174 Ų | 174 | 108.3 Ų | 108.3 | 76% | 0.757 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -78.8 | 9.1 | -168.6 | -76 | -173.1 | 173.2 | -171.4 | 0 | 117.1 | ||
| 281 | H | 47.8 | Very low | 46.8 | Very low | 109 Ų | 109 | 114.3 Ų | 114.3 | 51% | 0.505 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -131.7 | 54.8 | 178.1 | -70.5 | -58.9 | 0 | 0 | 0 | 113.7 | M279 T314 | M279-H281 VanDerWaalsContact C-N 3.28Å; M279-H281 PolarHBondContact O-N 3.08Å; M279-H281 VanDerWaalsContact O-N 3.14Å; H281-T314 HydrophobicContact CB-CG2 4.44Å; H281-T314 VanDerWaalsContact CE1-CG2 3.49Å; H281-T314 WeakPolarHBondContact CE1-CG2 3.33Å |
| 282 | Q | 41.6 | Very low | 45.2 | Very low | 149 Ų | 149 | 120 Ų | 120 | 70% | 0.696 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -136.7 | 139.4 | 151.5 | -63.2 | -169.8 | 23.7 | 0 | 0 | 108.3 | ||
| 283 | V | 39.7 | Very low | 43.7 | Very low | 145 Ų | 145 | 116.7 Ų | 116.7 | 88% | 0.879 | 65% | 0.647 | S | S | * | * | trans | 71.9 | 78.4 | -175.8 | -161.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 284 | S | 36.8 | Very low | 42.3 | Very low | 128 Ų | 128 | 122.4 Ų | 122.4 | 90% | 0.895 | 68% | 0.676 | S | S | * | * | trans | -132 | 107 | 140.9 | -79.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 285 | G | 30.2 | Very low | 41.4 | Very low | 79 Ų | 79 | 125.9 Ų | 125.9 | 81% | 0.814 | 69% | 0.694 | S | S | * | * | trans | -83.9 | 138.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 286 | S | 32.4 | Very low | 40.4 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 81% | 0.811 | 70% | 0.703 | S | S | * | * | trans | -99.6 | 98.4 | 157.1 | 43.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 287 | N | 35 | Very low | 39.9 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 89% | 0.893 | 72% | 0.715 | S | S | * | * | trans | -148.9 | 98.3 | 152.5 | -98.2 | -28.6 | 0 | 0 | 0 | 106.5 | ||||
| 288 | E | 34.5 | Very low | 39 | Very low | 178 Ų | 178 | 133.8 Ų | 133.8 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | trans | -57.5 | 138.7 | 169.4 | -56.3 | 179 | 138.3 | 0 | 0 | 108.9 | ||||
| 289 | N | 35.5 | Very low | 38.2 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | 175.9 | 126 | 127.4 | -93.8 | -60 | 0 | 0 | 0 | 111.9 | |||||
| 290 | N | 32.6 | Very low | 37.1 | Very low | 128 Ų | 128 | 140 Ų | 140 | 68% | 0.684 | 78% | 0.775 | S | S | * | * | trans | 71.5 | 118.5 | 143.7 | -66.3 | -31.8 | 0 | 0 | 0 | 122.3 | ||||
| 291 | L | 33.1 | Very low | 36.2 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | 78.5 | 87.4 | 130.5 | -68.5 | 163.8 | 0 | 0 | 0 | 119.7 | ||||
| 292 | L | 35.1 | Very low | 35.7 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | 57 | 94.8 | 103.7 | -161.5 | 153.8 | 0 | 0 | 0 | 117.2 | |||||
| 293 | C | 32.6 | Very low | 35.3 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | -152.9 | 138.8 | 124.6 | 69.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 294 | D | 32.5 | Very low | 35.4 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -71.5 | 145.9 | 176.1 | -73.4 | -73.1 | 0 | 0 | 0 | 112.5 | ||||
| 295 | N | 38.9 | Very low | 35.5 | Very low | 166 Ų | 166 | 133.6 Ų | 133.6 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -144.8 | 90.5 | 141 | -99.1 | -45 | 0 | 0 | 0 | 109.6 | ||||
| 296 | S | 36.4 | Very low | 36.1 | Very low | 77 Ų | 77 | 135.5 Ų | 135.5 | 54% | 0.538 | 79% | 0.792 | S | S | . | * | trans | -61.4 | 142.4 | 167.3 | 61.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 297 | Y | 41.5 | Very low | 36.6 | Very low | 214 Ų | 214 | 134.3 Ų | 134.3 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | -173 | 109.4 | 116.1 | -85.3 | -57.6 | 0 | 0 | 0 | 111.5 | |||||
| 298 | K | 36.1 | Very low | 37 | Very low | 194 Ų | 194 | 133.5 Ų | 133.5 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | 23.1 | 124 | 151.3 | -70.3 | 174.7 | 171.3 | 175.9 | 0 | 119.6 | ||||
| 299 | S | 37.8 | Very low | 37.5 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | -164.6 | 111.6 | 113 | -80 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 300 | S | 35.2 | Very low | 37.8 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | 38.5 | 121.5 | 146.4 | 54.6 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 301 | S | 34.5 | Very low | 38.4 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | 62.7 | 105.5 | 134.4 | 64.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 302 | A | 37.5 | Very low | 38.9 | Very low | 108 Ų | 108 | 122.3 Ų | 122.3 | 89% | 0.893 | 73% | 0.729 | S | S | * | * | -170.5 | 140.7 | 104.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 303 | S | 34.3 | Very low | 39.3 | Very low | 123 Ų | 123 | 117.6 Ų | 117.6 | 86% | 0.86 | 70% | 0.701 | S | S | * | * | trans | -98.3 | 126.7 | -177.9 | 53 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 304 | S | 41.2 | Very low | 39.9 | Very low | 115 Ų | 115 | 113.6 Ų | 113.6 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | trans | -152.4 | 112.6 | 156.4 | 57.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 305 | S | 37.7 | Very low | 40.7 | Very low | 110 Ų | 110 | 112 Ų | 112 | 77% | 0.769 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 141.6 | 174.2 | -43.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 306 | P | 43.5 | Very low | 41.4 | Very low | 119 Ų | 119 | 109.8 Ų | 109.8 | 77% | 0.773 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 134.4 | 160.3 | -11 | 27.1 | 0 | 0 | 0 | 108.7 | ||
| 307 | T | 42.3 | Very low | 41.9 | Very low | 90 Ų | 90 | 108.1 Ų | 108.1 | 55% | 0.552 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 151.6 | 171 | 50.5 | 0 | 0 | 0 | 0 | 110.3 | D309 | T307-D309 PolarHBondContact O-N 3.26Å; T307-D309 PolarHBondContact OG1-OD2 3.37Å |
| 308 | D | 44.6 | Very low | 42.2 | Very low | 151 Ų | 151 | 103.9 Ų | 103.9 | 81% | 0.807 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -6.4 | -173.9 | -61.6 | -69.8 | 0 | 0 | 0 | 114.6 | ||
| 309 | D | 43.6 | Very low | 42.9 | Very low | 116 Ų | 116 | 100 Ų | 100 | 62% | 0.62 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.1 | -33.9 | -176.7 | -57.1 | -63.6 | 0 | 0 | 0 | 114.1 | T307 V311 S312 Y313 | T307-D309 PolarHBondContact O-N 3.26Å; T307-D309 PolarHBondContact OG1-OD2 3.37Å; D309-V311 VanDerWaalsContact C-N 3.28Å; D309-V311 PolarHBondContact O-N 3.11Å; D309-S312 WeakPolarHBondContact O-CB 3.37Å; D309-S312 PolarHBondContact O-N 3.41Å; D309-S312 VanDerWaalsContact O-N 3.15Å; D309-Y313 PolarHBondContact O-N 2.77Å |
| 310 | D | 42.6 | Very low | 43.4 | Very low | 97 Ų | 97 | 97.3 Ų | 97.3 | 52% | 0.519 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.2 | -28.6 | -175 | -84.4 | -22.9 | 0 | 0 | 0 | 112.8 | T314 | D310-T314 PolarHBondContact O-N 3.01Å; D310-T314 PolarHBondContact O-OG1 3.39Å |
| 311 | V | 45.7 | Very low | 44.2 | Very low | 92 Ų | 92 | 94.5 Ų | 94.5 | 56% | 0.558 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -73 | -40.5 | 175.4 | -174.9 | 0 | 0 | 0 | 0 | 110.4 | D309 Y313 T314 E315 | D309-V311 VanDerWaalsContact C-N 3.28Å; D309-V311 PolarHBondContact O-N 3.11Å; V311-Y313 VanDerWaalsContact C-N 3.33Å; V311-Y313 PolarHBondContact O-N 3.04Å; V311-T314 PolarHBondContact O-N 3.16Å; V311-T314 PolarHBondContact O-OG1 2.88Å; V311-T314 VanDerWaalsContact O-OG1 3.07Å; V311-E315 PolarHBondContact O-N 3.07Å; V311-E315 VanDerWaalsContact O-N 3.09Å |
| 312 | S | 43.9 | Very low | 45 | Very low | 47 Ų | 47 | 94 Ų | 94 | 33% | 0.329 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 178.7 | -170.4 | 0 | 0 | 0 | 0 | 112.5 | D309 K316 | D309-S312 WeakPolarHBondContact O-CB 3.37Å; D309-S312 PolarHBondContact O-N 3.41Å; D309-S312 VanDerWaalsContact O-N 3.15Å; S312-K316 WeakPolarHBondContact O-CB 3.21Å; S312-K316 WeakPolarHBondContact O-CD 3.41Å; S312-K316 WeakPolarHBondContact O-CG 3.11Å; S312-K316 PolarHBondContact O-N 3.19Å; S312-K316 WeakPolarHBondContact OG-CE 3.41Å; S312-K316 PolarHBondContact OG-NZ 2.86Å |
| 313 | Y | 42.7 | Very low | 45.6 | Very low | 56 Ų | 56 | 97 Ų | 97 | 22% | 0.22 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -68.8 | -42.3 | -179 | -176.5 | -89.7 | 0 | 0 | 0 | 112.4 | D250 K253 D309 V311 K316 I317 | D250-Y313 PolarHBondContact OD1-OH 3.28Å; K253-Y313 HydrophobicContact CD-CE1 4.31Å; K253-Y313 WeakPolarHBondContact CD-OH 3.49Å; K253-Y313 PolarHBondContact NZ-OH 2.78Å; D309-Y313 PolarHBondContact O-N 2.77Å; V311-Y313 VanDerWaalsContact C-N 3.33Å; V311-Y313 PolarHBondContact O-N 3.04Å; Y313-K316 PolarHBondContact O-N 3.38Å; Y313-I317 HydrophobicContact CD1-CD1 3.93Å; Y313-I317 HydrophobicContact CE1-CD1 3.26Å; Y313-I317 HydrophobicContact CE1-CG1 4.24Å; Y313-I317 PolarHBondContact O-N 3.34Å |
| 314 | T | 46.4 | Very low | 46.2 | Very low | 36 Ų | 36 | 92.2 Ų | 92.2 | 22% | 0.221 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -68.1 | -40.3 | 177.9 | 55.7 | 0 | 0 | 0 | 0 | 112.4 | H281 D310 V311 I317 Q318 | H281-T314 HydrophobicContact CB-CG2 4.44Å; H281-T314 VanDerWaalsContact CE1-CG2 3.49Å; H281-T314 WeakPolarHBondContact CE1-CG2 3.33Å; D310-T314 PolarHBondContact O-N 3.01Å; D310-T314 PolarHBondContact O-OG1 3.39Å; V311-T314 PolarHBondContact O-N 3.16Å; V311-T314 PolarHBondContact O-OG1 2.88Å; V311-T314 VanDerWaalsContact O-OG1 3.07Å; T314-I317 PolarHBondContact O-N 3.49Å; T314-Q318 WeakPolarHBondContact O-CG 3.14Å; T314-Q318 PolarHBondContact O-N 3.01Å |
| 315 | E | 48.9 | Very low | 46.4 | Very low | 107 Ų | 107 | 88.8 Ų | 88.8 | 50% | 0.5 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 172.4 | -75.4 | -164.3 | 143.7 | 0 | 0 | 112.4 | V311 I317 Q318 Q319 | V311-E315 PolarHBondContact O-N 3.07Å; V311-E315 VanDerWaalsContact O-N 3.09Å; E315-I317 VanDerWaalsContact C-N 3.34Å; E315-I317 PolarHBondContact O-N 3.45Å; E315-Q318 PolarHBondContact O-N 2.96Å; E315-Q319 WeakPolarHBondContact O-CB 3.02Å; E315-Q319 WeakPolarHBondContact O-CG 3.44Å; E315-Q319 PolarHBondContact O-N 3.25Å |
| 316 | K | 52.4 | Low | 46.7 | Very low | 120 Ų | 120 | 88.5 Ų | 88.5 | 52% | 0.522 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 175.8 | -76.8 | 167.1 | -176 | 167.1 | 0 | 112 | S312 Y313 N320 | S312-K316 WeakPolarHBondContact O-CB 3.21Å; S312-K316 WeakPolarHBondContact O-CD 3.41Å; S312-K316 WeakPolarHBondContact O-CG 3.11Å; S312-K316 PolarHBondContact O-N 3.19Å; S312-K316 WeakPolarHBondContact OG-CE 3.41Å; S312-K316 PolarHBondContact OG-NZ 2.86Å; Y313-K316 PolarHBondContact O-N 3.38Å; K316-N320 WeakPolarHBondContact O-CB 3.23Å; K316-N320 VanDerWaalsContact O-CG 3.24Å; K316-N320 PolarHBondContact O-N 3.39Å; K316-N320 PolarHBondContact O-ND2 3.39Å |
| 317 | I | 47.1 | Very low | 46.7 | Very low | 43 Ų | 43 | 87 Ų | 87 | 22% | 0.221 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -64.8 | -46.6 | 174.7 | -71.5 | -178.4 | 0 | 0 | 0 | 110.8 | Y313 T314 E315 Q319 N320 V321 | Y313-I317 HydrophobicContact CD1-CD1 3.93Å; Y313-I317 HydrophobicContact CE1-CD1 3.26Å; Y313-I317 HydrophobicContact CE1-CG1 4.24Å; Y313-I317 PolarHBondContact O-N 3.34Å; T314-I317 PolarHBondContact O-N 3.49Å; E315-I317 VanDerWaalsContact C-N 3.34Å; E315-I317 PolarHBondContact O-N 3.45Å; I317-Q319 PolarHBondContact O-N 2.84Å; I317-N320 CarbonylContact O-C 3.58Å; I317-N320 PolarHBondContact O-N 3.09Å; I317-N320 VanDerWaalsContact O-N 3.13Å; I317-V321 HydrophobicContact CG2-CG2 4.31Å; I317-V321 WeakPolarHBondContact O-CG2 3.47Å; I317-V321 PolarHBondContact O-N 2.84Å |
| 318 | Q | 48.3 | Very low | 46.8 | Very low | 124 Ų | 124 | 88.5 Ų | 88.5 | 58% | 0.579 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.7 | -44.1 | 177.3 | -73.8 | -176.9 | 1.5 | 0 | 0 | 111.8 | T314 E315 N320 V321 I322 | T314-Q318 WeakPolarHBondContact O-CG 3.14Å; T314-Q318 PolarHBondContact O-N 3.01Å; E315-Q318 PolarHBondContact O-N 2.96Å; Q318-N320 VanDerWaalsContact C-N 3.3Å; Q318-N320 PolarHBondContact O-N 3.18Å; Q318-V321 PolarHBondContact O-N 3.44Å; Q318-I322 WeakPolarHBondContact O-CB 3.39Å; Q318-I322 VanDerWaalsContact O-CG1 3.25Å; Q318-I322 WeakPolarHBondContact O-CG1 3.43Å; Q318-I322 PolarHBondContact O-N 3.09Å |
| 319 | Q | 51.1 | Low | 46.6 | Very low | 114 Ų | 114 | 86 Ų | 86 | 53% | 0.533 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61 | -37.6 | 174.1 | -73.3 | -176 | 26.9 | 0 | 0 | 111.8 | E315 I317 I322 R323 | E315-Q319 WeakPolarHBondContact O-CB 3.02Å; E315-Q319 WeakPolarHBondContact O-CG 3.44Å; E315-Q319 PolarHBondContact O-N 3.25Å; I317-Q319 PolarHBondContact O-N 2.84Å; Q319-I322 PolarHBondContact O-N 3.44Å; Q319-R323 WeakPolarHBondContact O-CB 3.41Å; Q319-R323 PolarHBondContact O-N 3.34Å |
| 320 | N | 47.9 | Very low | 46.6 | Very low | 56 Ų | 56 | 85 Ų | 85 | 30% | 0.299 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -73.3 | -31.4 | 175.4 | -72.9 | -21.6 | 0 | 0 | 0 | 113.1 | K316 I317 Q318 S324 | K316-N320 WeakPolarHBondContact O-CB 3.23Å; K316-N320 VanDerWaalsContact O-CG 3.24Å; K316-N320 PolarHBondContact O-N 3.39Å; K316-N320 PolarHBondContact O-ND2 3.39Å; I317-N320 CarbonylContact O-C 3.58Å; I317-N320 PolarHBondContact O-N 3.09Å; I317-N320 VanDerWaalsContact O-N 3.13Å; Q318-N320 VanDerWaalsContact C-N 3.3Å; Q318-N320 PolarHBondContact O-N 3.18Å; N320-S324 VanDerWaalsContact O-CB 3.32Å; N320-S324 WeakPolarHBondContact O-CB 3.34Å; N320-S324 PolarHBondContact O-N 3.3Å; N320-S324 PolarHBondContact O-OG 3.45Å |
| 321 | V | 51.8 | Low | 46.5 | Very low | 45 Ų | 45 | 84.7 Ų | 84.7 | 27% | 0.273 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68.8 | -38.7 | 170.4 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | I317 Q318 S324 S325 R328 | I317-V321 HydrophobicContact CG2-CG2 4.31Å; I317-V321 WeakPolarHBondContact O-CG2 3.47Å; I317-V321 PolarHBondContact O-N 2.84Å; Q318-V321 PolarHBondContact O-N 3.44Å; V321-S324 WeakPolarHBondContact CA-OG 3.4Å; V321-S324 PolarHBondContact O-OG 2.88Å; V321-S325 PolarHBondContact O-N 3.16Å; V321-S325 PolarHBondContact O-OG 3.34Å; V321-R328 PolarHBondContact O-NH2 3.3Å |
| 322 | I | 51.5 | Low | 46.4 | Very low | 106 Ų | 106 | 82.9 Ų | 82.9 | 54% | 0.544 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.9 | -43 | 173.4 | -67.8 | 163.6 | 0 | 0 | 0 | 110.7 | Q318 Q319 S324 S325 L326 | Q318-I322 WeakPolarHBondContact O-CB 3.39Å; Q318-I322 VanDerWaalsContact O-CG1 3.25Å; Q318-I322 WeakPolarHBondContact O-CG1 3.43Å; Q318-I322 PolarHBondContact O-N 3.09Å; Q319-I322 PolarHBondContact O-N 3.44Å; I322-S324 VanDerWaalsContact C-N 3.32Å; I322-S324 PolarHBondContact O-N 3.28Å; I322-S325 WeakPolarHBondContact CA-OG 3.48Å; I322-S325 CarbonylContact O-C 3.57Å; I322-S325 PolarHBondContact O-N 3.19Å; I322-S325 VanDerWaalsContact O-N 3.13Å; I322-S325 PolarHBondContact O-OG 3Å; I322-L326 WeakPolarHBondContact O-CB 3.46Å; I322-L326 PolarHBondContact O-N 3.48Å |
| 323 | R | 49.9 | Very low | 46.3 | Very low | 169 Ų | 169 | 85.8 Ų | 85.8 | 64% | 0.638 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.2 | -37.4 | 177.1 | -154.8 | 178.9 | -158.8 | 110.3 | -1.4 | 110.9 | Q319 L326 L327 | Q319-R323 WeakPolarHBondContact O-CB 3.41Å; Q319-R323 PolarHBondContact O-N 3.34Å; R323-L326 PolarHBondContact O-N 3.44Å; R323-L327 WeakPolarHBondContact O-CB 3.47Å; R323-L327 VanDerWaalsContact O-CG 3.25Å; R323-L327 WeakPolarHBondContact O-CG 3.41Å; R323-L327 PolarHBondContact O-N 3Å |
| 324 | S | 47.3 | Very low | 46.2 | Very low | 24 Ų | 24 | 87.9 Ų | 87.9 | 17% | 0.168 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -73.1 | -26.5 | 171.4 | 61.8 | 0 | 0 | 0 | 0 | 113.5 | N320 V321 I322 R328 | N320-S324 VanDerWaalsContact O-CB 3.32Å; N320-S324 WeakPolarHBondContact O-CB 3.34Å; N320-S324 PolarHBondContact O-N 3.3Å; N320-S324 PolarHBondContact O-OG 3.45Å; V321-S324 WeakPolarHBondContact CA-OG 3.4Å; V321-S324 PolarHBondContact O-OG 2.88Å; I322-S324 VanDerWaalsContact C-N 3.32Å; I322-S324 PolarHBondContact O-N 3.28Å; S324-R328 WeakPolarHBondContact O-CG 3.38Å; S324-R328 PolarHBondContact O-N 2.96Å |
| 325 | S | 45.5 | Very low | 46 | Very low | 43 Ų | 43 | 94.9 Ų | 94.9 | 30% | 0.301 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -73.5 | -36.4 | 166.5 | 58.5 | 0 | 0 | 0 | 0 | 113.2 | V321 I322 L327 R328 N329 | V321-S325 PolarHBondContact O-N 3.16Å; V321-S325 PolarHBondContact O-OG 3.34Å; I322-S325 WeakPolarHBondContact CA-OG 3.48Å; I322-S325 CarbonylContact O-C 3.57Å; I322-S325 PolarHBondContact O-N 3.19Å; I322-S325 VanDerWaalsContact O-N 3.13Å; I322-S325 PolarHBondContact O-OG 3Å; S325-L327 VanDerWaalsContact C-N 3.3Å; S325-R328 WeakPolarHBondContact O-CB 3.32Å; S325-R328 PolarHBondContact O-N 3.27Å; S325-R328 VanDerWaalsContact O-N 3.16Å; S325-N329 PolarHBondContact O-N 3.46Å; S325-N329 PolarHBondContact O-OD1 3.49Å |
| 326 | L | 43.5 | Very low | 45.6 | Very low | 103 Ų | 103 | 95.1 Ų | 95.1 | 54% | 0.539 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.6 | -35.6 | 174.6 | -160.8 | 73.2 | 0 | 0 | 0 | 110.6 | I322 R323 N329 K330 | I322-L326 WeakPolarHBondContact O-CB 3.46Å; I322-L326 PolarHBondContact O-N 3.48Å; R323-L326 PolarHBondContact O-N 3.44Å; L326-N329 PolarHBondContact O-N 3.42Å; L326-K330 WeakPolarHBondContact O-CB 3.47Å; L326-K330 PolarHBondContact O-N 3.25Å |
| 327 | L | 43.9 | Very low | 44.9 | Very low | 87 Ų | 87 | 93.3 Ų | 93.3 | 46% | 0.455 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.9 | -37.6 | 167.8 | -74.6 | 170.8 | 0 | 0 | 0 | 112.3 | R323 S325 N329 K330 L331 | R323-L327 WeakPolarHBondContact O-CB 3.47Å; R323-L327 VanDerWaalsContact O-CG 3.25Å; R323-L327 WeakPolarHBondContact O-CG 3.41Å; R323-L327 PolarHBondContact O-N 3Å; S325-L327 VanDerWaalsContact C-N 3.3Å; L327-N329 PolarHBondContact O-N 3.4Å; L327-K330 PolarHBondContact O-N 3.23Å; L327-L331 HydrophobicContact CB-CD1 4.16Å; L327-L331 VanDerWaalsContact O-CB 3.24Å; L327-L331 WeakPolarHBondContact O-CB 3.25Å; L327-L331 WeakPolarHBondContact O-CD1 3.25Å; L327-L331 PolarHBondContact O-N 2.79Å |
| 328 | R | 43.2 | Very low | 44.5 | Very low | 122 Ų | 122 | 96.5 Ų | 96.5 | 46% | 0.46 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -55.5 | -40.1 | 171.4 | -82.9 | 179.4 | -78.3 | -99.4 | -6.3 | 111.4 | V321 S324 S325 S332 | V321-R328 PolarHBondContact O-NH2 3.3Å; S324-R328 WeakPolarHBondContact O-CG 3.38Å; S324-R328 PolarHBondContact O-N 2.96Å; S325-R328 WeakPolarHBondContact O-CB 3.32Å; S325-R328 PolarHBondContact O-N 3.27Å; S325-R328 VanDerWaalsContact O-N 3.16Å; R328-S332 PolarHBondContact O-N 3.36Å; R328-S332 PolarHBondContact O-OG 3Å |
| 329 | N | 41.5 | Very low | 43.9 | Very low | 100 Ų | 100 | 98.1 Ų | 98.1 | 54% | 0.535 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -78.9 | -35.3 | 177.9 | -59.8 | -0.7 | 0 | 0 | 0 | 112.6 | S325 L326 L327 S332 D333 | S325-N329 PolarHBondContact O-N 3.46Å; S325-N329 PolarHBondContact O-OD1 3.49Å; L326-N329 PolarHBondContact O-N 3.42Å; L327-N329 PolarHBondContact O-N 3.4Å; N329-S332 PolarHBondContact O-OG 3.32Å; N329-D333 WeakPolarHBondContact O-CB 3.43Å; N329-D333 VanDerWaalsContact O-CG 3.22Å; N329-D333 PolarHBondContact O-N 2.89Å |
| 330 | K | 44.1 | Very low | 43.1 | Very low | 95 Ų | 95 | 99.1 Ų | 99.1 | 41% | 0.413 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -75.8 | -27.9 | 175.6 | -85.5 | -179 | 159.7 | -74.3 | 0 | 114.1 | L326 L327 D333 E334 | L326-K330 WeakPolarHBondContact O-CB 3.47Å; L326-K330 PolarHBondContact O-N 3.25Å; L327-K330 PolarHBondContact O-N 3.23Å; K330-D333 PolarHBondContact O-N 3.32Å; K330-E334 IonicContact NZ-OE1 2.6Å; K330-E334 PolarHBondContact NZ-OE1 2.86Å; K330-E334 IonicContact NZ-OE2 2.81Å; K330-E334 PolarHBondContact NZ-OE2 3.17Å; K330-E334 WeakPolarHBondContact O-CB 3.11Å; K330-E334 PolarHBondContact O-N 3.32Å |
| 331 | L | 40.7 | Very low | 42.5 | Very low | 90 Ų | 90 | 101 Ų | 101 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -77.1 | -25 | 175.4 | -88.6 | 137.3 | 0 | 0 | 0 | 112.8 | L327 | L327-L331 HydrophobicContact CB-CD1 4.16Å; L327-L331 VanDerWaalsContact O-CB 3.24Å; L327-L331 WeakPolarHBondContact O-CB 3.25Å; L327-L331 WeakPolarHBondContact O-CD1 3.25Å; L327-L331 PolarHBondContact O-N 2.79Å |
| 332 | S | 43 | Very low | 41.5 | Very low | 54 Ų | 54 | 108.9 Ų | 108.9 | 38% | 0.378 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.1 | -36.6 | 167.4 | 54.6 | 0 | 0 | 0 | 0 | 112 | R328 N329 I336 | R328-S332 PolarHBondContact O-N 3.36Å; R328-S332 PolarHBondContact O-OG 3Å; N329-S332 PolarHBondContact O-OG 3.32Å; S332-I336 WeakPolarHBondContact O-CD1 3.42Å; S332-I336 WeakPolarHBondContact O-CG1 3.25Å |
| 333 | D | 41 | Very low | 40.6 | Very low | 107 Ų | 107 | 113 Ų | 113 | 57% | 0.572 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -101.5 | -38.1 | -164.1 | -59.9 | 1 | 0 | 0 | 0 | 113.5 | N329 K330 V337 | N329-D333 WeakPolarHBondContact O-CB 3.43Å; N329-D333 VanDerWaalsContact O-CG 3.22Å; N329-D333 PolarHBondContact O-N 2.89Å; K330-D333 PolarHBondContact O-N 3.32Å; D333-V337 WeakPolarHBondContact O-CG2 3.42Å |
| 334 | E | 42 | Very low | 39.7 | Very low | 100 Ų | 100 | 109.3 Ų | 109.3 | 47% | 0.467 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -97.5 | -16.7 | -172.4 | -73.8 | 176.2 | -178.4 | 0 | 0 | 115 | K330 N338 | K330-E334 IonicContact NZ-OE1 2.6Å; K330-E334 PolarHBondContact NZ-OE1 2.86Å; K330-E334 IonicContact NZ-OE2 2.81Å; K330-E334 PolarHBondContact NZ-OE2 3.17Å; K330-E334 WeakPolarHBondContact O-CB 3.11Å; K330-E334 PolarHBondContact O-N 3.32Å; E334-N338 WeakPolarHBondContact O-CB 3.49Å; E334-N338 PolarHBondContact O-ND2 2.89Å |
| 335 | R | 40.6 | Very low | 38.8 | Very low | 183 Ų | 183 | 114.5 Ų | 114.5 | 69% | 0.691 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -101.8 | -19.8 | 177.5 | -75 | -170.6 | 176.8 | -179.6 | -1.1 | 114.7 | H339 | R335-H339 PolarHBondContact O-N 3.34Å |
| 336 | I | 41.6 | Very low | 38 | Very low | 112 Ų | 112 | 119.2 Ų | 119.2 | 57% | 0.574 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -77.3 | -29.5 | 174.2 | -60.5 | -173.7 | 0 | 0 | 0 | 110.9 | S332 L340 | S332-I336 WeakPolarHBondContact O-CD1 3.42Å; S332-I336 WeakPolarHBondContact O-CG1 3.25Å; I336-L340 WeakPolarHBondContact O-CD1 3.27Å |
| 337 | V | 38.6 | Very low | 37.4 | Very low | 83 Ų | 83 | 121.5 Ų | 121.5 | 50% | 0.503 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -79.2 | -51.4 | 173.7 | -178.6 | 0 | 0 | 0 | 0 | 111 | D333 H339 L340 | D333-V337 WeakPolarHBondContact O-CG2 3.42Å; V337-H339 VanDerWaalsContact C-N 3.35Å; V337-H339 PolarHBondContact O-N 3.05Å; V337-L340 PolarHBondContact O-N 3.47Å |
| 338 | N | 36.7 | Very low | 36.7 | Very low | 109 Ų | 109 | 122.5 Ų | 122.5 | 58% | 0.583 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -81.4 | -0.1 | -169.3 | -65.7 | -57.9 | 0 | 0 | 0 | 116.3 | E334 | E334-N338 WeakPolarHBondContact O-CB 3.49Å; E334-N338 PolarHBondContact O-ND2 2.89Å |
| 339 | H | 36.1 | Very low | 35.8 | Very low | 159 Ų | 159 | 124.2 Ų | 124.2 | 74% | 0.736 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 2.9 | 169.6 | -148.2 | -55.5 | 0 | 0 | 0 | 113.2 | R335 V337 | R335-H339 PolarHBondContact O-N 3.34Å; V337-H339 VanDerWaalsContact C-N 3.35Å; V337-H339 PolarHBondContact O-N 3.05Å |
| 340 | L | 35.7 | Very low | 35.4 | Very low | 134 Ų | 134 | 126.5 Ų | 126.5 | 70% | 0.702 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -20.6 | 171.2 | -70.4 | 175.9 | 0 | 0 | 0 | 113 | I336 V337 | I336-L340 WeakPolarHBondContact O-CD1 3.27Å; V337-L340 PolarHBondContact O-N 3.47Å |
| 341 | D | 34.6 | Very low | 34.7 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 51% | 0.508 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -87.7 | -4 | 177.7 | -76.1 | -31.4 | 0 | 0 | 0 | 115 | Q343 | D341-Q343 PolarHBondContact O-N 2.97Å; D341-Q343 VanDerWaalsContact O-N 3.12Å |
| 342 | Y | 30.9 | Very low | 34.3 | Very low | 212 Ų | 212 | 129.5 Ų | 129.5 | 83% | 0.831 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 38 | 177.8 | -134.8 | -85.8 | 0 | 0 | 0 | 114.2 | ||
| 343 | Q | 33.2 | Very low | 33.8 | Very low | 193 Ų | 193 | 133.9 Ų | 133.9 | 90% | 0.902 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.1 | 1.1 | 161 | -122.4 | 178.5 | 33 | 0 | 0 | 115.2 | D341 | D341-Q343 PolarHBondContact O-N 2.97Å; D341-Q343 VanDerWaalsContact O-N 3.12Å |
| 344 | S | 29.3 | Very low | 33.5 | Very low | 91 Ų | 91 | 135.5 Ų | 135.5 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -122.8 | 60.9 | -178.9 | -69.7 | 0 | 0 | 0 | 0 | 111.8 | ||
| 345 | N | 29.6 | Very low | 33.1 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | trans | -155.4 | 146.9 | 162.5 | -93.3 | -49.7 | 0 | 0 | 0 | 111.7 | ||||
| 346 | N | 29.2 | Very low | 32.4 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | 78 | 65.8 | 166 | -51.7 | -21.2 | 0 | 0 | 0 | 119 | ||||
| 347 | V | 29.7 | Very low | 32 | Very low | 151 Ų | 151 | 138 Ų | 138 | 92% | 0.915 | 76% | 0.757 | S | S | * | * | trans | -122.6 | 81 | 133.3 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 348 | S | 30 | Very low | 31.4 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -115.6 | 107.2 | 164.3 | -68.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 349 | L | 24.7 | Very low | 31.1 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | 27.9 | 102.4 | 144.9 | -69.8 | 153.7 | 0 | 0 | 0 | 117.8 | ||||
| 350 | T | 32.7 | Very low | 30.8 | Very low | 148 Ų | 148 | 139 Ų | 139 | 91% | 0.908 | 78% | 0.779 | S | S | * | * | -167.1 | 155.1 | 123 | 14.6 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 351 | I | 29.7 | Very low | 30.6 | Very low | 152 Ų | 152 | 139.5 Ų | 139.5 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | -128.8 | 162.5 | -166.8 | -46.9 | 161.7 | 0 | 0 | 0 | 106.9 | ||||
| 352 | P | 31 | Very low | 30.4 | Very low | 95 Ų | 95 | 144 Ų | 144 | 62% | 0.617 | 80% | 0.798 | S | S | * | * | cis | -120.9 | 173.3 | -47.8 | 37.8 | -24.1 | 0 | 0 | 0 | 112.3 | ||||
| 353 | T | 34 | Very low | 30.3 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | trans | -134.9 | 140.9 | 150.2 | 41.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 354 | N | 32.9 | Very low | 30.2 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | trans | -91.3 | 171 | -162.9 | -67.9 | -52.5 | 0 | 0 | 0 | 114.4 | ||||
| 355 | Q | 34.9 | Very low | 30.3 | Very low | 181 Ų | 181 | 142.2 Ų | 142.2 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | 83.6 | 93.1 | 164.8 | -50.2 | -177.7 | 17.8 | 0 | 0 | 114.1 | ||||
| 356 | S | 26.6 | Very low | 30.2 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | 75.9 | 93.9 | 63.1 | -59.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 357 | T | 32 | Very low | 30.3 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 93% | 0.926 | 81% | 0.81 | S | S | * | * | trans | -153 | 127.7 | 133.2 | 17.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 358 | S | 26.4 | Very low | 30.3 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -79.3 | 145 | 175.8 | 50.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 359 | I | 31.1 | Very low | 30.3 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 91% | 0.908 | 82% | 0.817 | S | S | * | * | trans | -141.8 | 128.7 | 135.5 | -91.3 | 141.4 | 0 | 0 | 0 | 107.1 | ||||
| 360 | S | 29 | Very low | 30.9 | Very low | 86 Ų | 86 | 140 Ų | 140 | 60% | 0.601 | 81% | 0.806 | S | S | * | * | trans | -92.6 | 171.7 | -179.6 | 58.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 361 | N | 30.6 | Very low | 31.3 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | 88.8 | 90.2 | 164.2 | -46.2 | -19.6 | 0 | 0 | 0 | 117 | ||||
| 362 | F | 30.5 | Very low | 31.7 | Very low | 189 Ų | 189 | 135.8 Ų | 135.8 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | -158.9 | 77.8 | 120.9 | -133.4 | -93.9 | 0 | 0 | 0 | 112.6 | |||||
| 363 | N | 29.1 | Very low | 31.7 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -96.7 | 88.9 | 166.8 | -95 | -18.5 | 0 | 0 | 0 | 109.3 | ||||
| 364 | Q | 32 | Very low | 32 | Very low | 173 Ų | 173 | 132.9 Ų | 132.9 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | -167.2 | 83.7 | 165.4 | -114.5 | 166.4 | 54.6 | 0 | 0 | 111.5 | ||||
| 365 | S | 29.9 | Very low | 32.5 | Very low | 119 Ų | 119 | 133 Ų | 133 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | 177.2 | 72.4 | 143.4 | -167.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 366 | M | 29.2 | Very low | 32.8 | Very low | 201 Ų | 201 | 129.7 Ų | 129.7 | 99% | 0.99 | 75% | 0.754 | S | S | * | * | trans | -106.1 | 95.1 | 168.3 | -88.2 | -73.6 | -74.8 | 0 | 0 | 107.7 | ||||
| 367 | G | 30.2 | Very low | 33.4 | Very low | 57 Ų | 57 | 129.2 Ų | 129.2 | 59% | 0.588 | 74% | 0.741 | S | S | * | * | trans | -162.2 | 141.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 368 | N | 29.9 | Very low | 34 | Very low | 170 Ų | 170 | 129.5 Ų | 129.5 | 91% | 0.909 | 73% | 0.73 | S | S | * | * | trans | 75.7 | 49.7 | 169.3 | -48.2 | -16.2 | 0 | 0 | 0 | 117.4 | ||||
| 369 | C | 29.8 | Very low | 34.9 | Very low | 131 Ų | 131 | 127.3 Ų | 127.3 | 89% | 0.885 | 71% | 0.714 | S | S | * | * | trans | -92.1 | 105.5 | 149.9 | -81.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 370 | S | 38.5 | Very low | 35.4 | Very low | 86 Ų | 86 | 124.7 Ų | 124.7 | 60% | 0.601 | 70% | 0.698 | S | S | * | * | trans | -64 | 154.1 | -175.6 | 177.6 | 0 | 0 | 0 | 0 | 113.6 | N372 | S370-N372 PolarHBondContact O-N 3.36Š| ||
| 371 | S | 39.5 | Very low | 36.1 | Very low | 97 Ų | 97 | 124.9 Ų | 124.9 | 68% | 0.678 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 11.3 | -173.5 | 50.8 | 0 | 0 | 0 | 0 | 116.8 | T374 | S371-T374 PolarHBondContact O-OG1 3.48Š|
| 372 | N | 37.9 | Very low | 36.6 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 62% | 0.62 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -18.8 | 176.8 | -89.6 | 3.3 | 0 | 0 | 0 | 114.1 | S370 T374 | S370-N372 PolarHBondContact O-N 3.36Å; N372-T374 VanDerWaalsContact C-N 3.26Å; N372-T374 PolarHBondContact O-N 3.08Å |
| 373 | C | 32.2 | Very low | 37.1 | Very low | 88 Ų | 88 | 123.8 Ų | 123.8 | 60% | 0.595 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -71.8 | -16.6 | -177.1 | -67.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 374 | T | 40.3 | Very low | 37.7 | Very low | 92 Ų | 92 | 121.2 Ų | 121.2 | 56% | 0.564 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -93.2 | -19.5 | -176 | 49 | 0 | 0 | 0 | 0 | 114.5 | S371 N372 | S371-T374 PolarHBondContact O-OG1 3.48Å; N372-T374 VanDerWaalsContact C-N 3.26Å; N372-T374 PolarHBondContact O-N 3.08Å |
| 375 | E | 43.4 | Very low | 38.1 | Very low | 143 Ų | 143 | 117.7 Ų | 117.7 | 67% | 0.668 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -84.3 | -30.2 | 172 | -71.5 | -158.3 | 140 | 0 | 0 | 113.1 | L377 K378 S379 | E375-L377 VanDerWaalsContact C-N 3.31Å; E375-L377 PolarHBondContact O-N 3.44Å; E375-K378 PolarHBondContact O-N 2.83Å; E375-S379 PolarHBondContact O-N 3.08Å; E375-S379 PolarHBondContact O-OG 2.93Å |
| 376 | L | 40.6 | Very low | 38.6 | Very low | 111 Ų | 111 | 117.1 Ų | 117.1 | 58% | 0.581 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -61.7 | -39 | 173.1 | -82.2 | 163.8 | 0 | 0 | 0 | 112 | S379 Q380 | L376-S379 WeakPolarHBondContact CA-OG 3.47Å; L376-S379 PolarHBondContact O-OG 2.89Å; L376-S379 VanDerWaalsContact O-OG 3.11Å; L376-Q380 WeakPolarHBondContact O-CB 3.27Å; L376-Q380 WeakPolarHBondContact O-CG 3.44Å; L376-Q380 PolarHBondContact O-N 3.45Å |
| 377 | L | 39.2 | Very low | 39.2 | Very low | 106 Ų | 106 | 114.9 Ų | 114.9 | 56% | 0.555 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.2 | -32.3 | 175.3 | -86.2 | 158.9 | 0 | 0 | 0 | 113.5 | E375 N381 | E375-L377 VanDerWaalsContact C-N 3.31Å; E375-L377 PolarHBondContact O-N 3.44Å; L377-N381 PolarHBondContact O-N 3.47Å; L377-N381 PolarHBondContact O-ND2 2.89Å |
| 378 | K | 44.6 | Very low | 39.5 | Very low | 157 Ų | 157 | 118 Ų | 118 | 68% | 0.683 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77 | -37.7 | 176.5 | -72.2 | -178.2 | 179.1 | 179.1 | 0 | 112.4 | E375 N381 Y382 | E375-K378 PolarHBondContact O-N 2.83Å; K378-N381 PolarHBondContact O-N 2.87Å; K378-Y382 PolarHBondContact O-N 2.96Å |
| 379 | S | 44.5 | Very low | 39.9 | Very low | 64 Ų | 64 | 119.5 Ų | 119.5 | 45% | 0.448 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -71.4 | -35 | 176.3 | 50.1 | 0 | 0 | 0 | 0 | 112.6 | E375 L376 Y382 L383 | E375-S379 PolarHBondContact O-N 3.08Å; E375-S379 PolarHBondContact O-OG 2.93Å; L376-S379 WeakPolarHBondContact CA-OG 3.47Å; L376-S379 PolarHBondContact O-OG 2.89Å; L376-S379 VanDerWaalsContact O-OG 3.11Å; S379-Y382 PolarHBondContact O-N 3.49Å; S379-L383 PolarHBondContact O-N 2.61Å |
| 380 | Q | 43.3 | Very low | 40.3 | Very low | 122 Ų | 122 | 121.2 Ų | 121.2 | 57% | 0.57 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -61.3 | -43.6 | 170.3 | -80.1 | 178.8 | -34.5 | 0 | 0 | 112.7 | L376 Y382 L383 L384 | L376-Q380 WeakPolarHBondContact O-CB 3.27Å; L376-Q380 WeakPolarHBondContact O-CG 3.44Å; L376-Q380 PolarHBondContact O-N 3.45Å; Q380-Y382 VanDerWaalsContact C-N 3.33Å; Q380-Y382 PolarHBondContact O-N 3.31Å; Q380-L383 PolarHBondContact O-N 3.41Å; Q380-L383 VanDerWaalsContact O-N 3.15Å; Q380-L384 PolarHBondContact O-N 3.45Å |
| 381 | N | 43.9 | Very low | 40 | Very low | 90 Ų | 90 | 126.3 Ų | 126.3 | 48% | 0.481 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -62.9 | -36.1 | 177.4 | -86.2 | -73.2 | 0 | 0 | 0 | 113.1 | L377 K378 L383 L384 N385 | L377-N381 PolarHBondContact O-N 3.47Å; L377-N381 PolarHBondContact O-ND2 2.89Å; K378-N381 PolarHBondContact O-N 2.87Å; N381-L383 VanDerWaalsContact C-N 3.33Å; N381-L383 PolarHBondContact O-N 3.4Å; N381-L384 PolarHBondContact O-N 2.88Å; N381-N385 PolarHBondContact O-N 3Å; N381-N385 VanDerWaalsContact O-N 3.11Å |
| 382 | Y | 39.3 | Very low | 39.8 | Very low | 185 Ų | 185 | 130 Ų | 130 | 73% | 0.725 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.7 | -27.5 | 174.9 | -112.8 | -88.4 | 0 | 0 | 0 | 113.5 | K378 S379 Q380 N386 | K378-Y382 PolarHBondContact O-N 2.96Å; S379-Y382 PolarHBondContact O-N 3.49Å; Q380-Y382 VanDerWaalsContact C-N 3.33Å; Q380-Y382 PolarHBondContact O-N 3.31Å; Y382-N386 PolarHBondContact O-ND2 2.82Å |
| 383 | L | 42.7 | Very low | 39.5 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 66% | 0.66 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -78.4 | -35.9 | 173.2 | -119.2 | 83.5 | 0 | 0 | 0 | 112.4 | S379 Q380 N381 K387 | S379-L383 PolarHBondContact O-N 2.61Å; Q380-L383 PolarHBondContact O-N 3.41Å; Q380-L383 VanDerWaalsContact O-N 3.15Å; N381-L383 VanDerWaalsContact C-N 3.33Å; N381-L383 PolarHBondContact O-N 3.4Å; L383-K387 PolarHBondContact O-N 3.45Å |
| 384 | L | 41.9 | Very low | 39.4 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 58% | 0.581 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.8 | -47.7 | 178.9 | -130.6 | 74.6 | 0 | 0 | 0 | 111.6 | Q380 N381 N386 K387 L388 | Q380-L384 PolarHBondContact O-N 3.45Å; N381-L384 PolarHBondContact O-N 2.88Å; L384-N386 VanDerWaalsContact C-N 3.33Å; L384-N386 PolarHBondContact O-N 3.18Å; L384-K387 PolarHBondContact O-N 3.15Å; L384-L388 PolarHBondContact O-N 2.9Å |
| 385 | N | 38.7 | Very low | 39.1 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 54% | 0.535 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -67.3 | -30.5 | -177.9 | -74.4 | -13.3 | 0 | 0 | 0 | 113.5 | N381 | N381-N385 PolarHBondContact O-N 3Å; N381-N385 VanDerWaalsContact O-N 3.11Å |
| 386 | N | 41.6 | Very low | 38.4 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 57% | 0.567 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -77.4 | -29.3 | 174 | -76.5 | -24.9 | 0 | 0 | 0 | 112.8 | Y382 L384 L388 Y389 | Y382-N386 PolarHBondContact O-ND2 2.82Å; L384-N386 VanDerWaalsContact C-N 3.33Å; L384-N386 PolarHBondContact O-N 3.18Å; N386-L388 VanDerWaalsContact C-N 3.35Å; N386-Y389 PolarHBondContact O-N 3.31Å |
| 387 | K | 40.6 | Very low | 38 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 67% | 0.67 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -72.1 | -25.9 | 176 | -93.8 | -166.3 | 168 | -166.2 | 0 | 113.9 | L383 L384 Y389 | L383-K387 PolarHBondContact O-N 3.45Å; L384-K387 PolarHBondContact O-N 3.15Å; K387-Y389 VanDerWaalsContact C-N 3.33Å |
| 388 | L | 38 | Very low | 37.5 | Very low | 123 Ų | 123 | 149.9 Ų | 149.9 | 64% | 0.644 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -76.4 | -17.9 | 176.6 | -73.6 | 168.7 | 0 | 0 | 0 | 113.4 | L384 N386 | L384-L388 PolarHBondContact O-N 2.9Å; N386-L388 VanDerWaalsContact C-N 3.35Å |
| 389 | Y | 37.5 | Very low | 36.7 | Very low | 201 Ų | 201 | 149.6 Ų | 149.6 | 79% | 0.788 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -92.9 | -6.8 | -177.6 | -114.4 | -90.4 | 0 | 0 | 0 | 115.2 | N386 K387 | N386-Y389 PolarHBondContact O-N 3.31Å; K387-Y389 VanDerWaalsContact C-N 3.33Å |
| 390 | E | 39 | Very low | 36.1 | Very low | 167 Ų | 167 | 157 Ų | 157 | 78% | 0.78 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -105 | -1.7 | 179.8 | -80 | -171.6 | 147.3 | 0 | 0 | 114.4 | ||
| 391 | F | 32 | Very low | 35.5 | Very low | 194 Ų | 194 | 159.6 Ų | 159.6 | 85% | 0.851 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -105.6 | 2.6 | -173.3 | -104.1 | -86.6 | 0 | 0 | 0 | 116.4 | ||
| 392 | E | 35.1 | Very low | 34.9 | Very low | 173 Ų | 173 | 162.3 Ų | 162.3 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -110.9 | 9.8 | -172 | -128.1 | 173 | -163.3 | 0 | 0 | 115 | ||
| 393 | N | 30.6 | Very low | 34.6 | Very low | 150 Ų | 150 | 159.6 Ų | 159.6 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -132.7 | 36.6 | -172.5 | -83.2 | -59.8 | 0 | 0 | 0 | 115.1 | ||
| 394 | V | 31.1 | Very low | 34 | Very low | 125 Ų | 125 | 162.5 Ų | 162.5 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | trans | -136.5 | 74.3 | 175.3 | -167.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 395 | Y | 32.6 | Very low | 33.6 | Very low | 230 Ų | 230 | 162.7 Ų | 162.7 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | trans | -144.1 | 145.7 | 161 | -92.5 | -80.7 | 0 | 0 | 0 | 110.7 | ||||
| 396 | E | 30.5 | Very low | 33.1 | Very low | 177 Ų | 177 | 164.8 Ų | 164.8 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | 55.1 | 106.1 | 170.7 | -71.6 | -179.4 | 144.6 | 0 | 0 | 118.7 | ||||
| 397 | Y | 30.3 | Very low | 32.5 | Very low | 222 Ų | 222 | 167.1 Ų | 167.1 | 87% | 0.871 | 79% | 0.787 | S | S | * | * | -170.1 | 115 | 106.4 | -120 | -97.3 | 0 | 0 | 0 | 110.5 | |||||
| 398 | E | 30.2 | Very low | 32 | Very low | 171 Ų | 171 | 165.4 Ų | 165.4 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -102.7 | 149.2 | 163.1 | -78.3 | -164.8 | 149.9 | 0 | 0 | 109.8 | ||||
| 399 | Q | 28.1 | Very low | 31.5 | Very low | 150 Ų | 150 | 169 Ų | 169 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | 58.3 | 114.2 | 165.1 | -63.7 | 177.3 | -12.2 | 0 | 0 | 117.7 | ||||
| 400 | Y | 31.9 | Very low | 31.4 | Very low | 219 Ų | 219 | 165.2 Ų | 165.2 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | -173.1 | 129.7 | 102.1 | -101.9 | -75.8 | 0 | 0 | 0 | 109.6 | |||||
| 401 | E | 29.9 | Very low | 31.1 | Very low | 177 Ų | 177 | 168 Ų | 168 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | trans | -70.4 | 140.7 | 165 | -65 | 177.1 | 118.6 | 0 | 0 | 109.6 | ||||
| 402 | M | 31.7 | Very low | 31 | Very low | 147 Ų | 147 | 168.3 Ų | 168.3 | 72% | 0.724 | 81% | 0.807 | S | S | * | * | trans | 171.9 | 122.5 | 131.1 | -88.6 | -86.2 | 91.3 | 0 | 0 | 111.5 | ||||
| 403 | N | 31.7 | Very low | 31.1 | Very low | 129 Ų | 129 | 165.6 Ų | 165.6 | 69% | 0.69 | 80% | 0.804 | S | S | * | * | trans | 49.6 | 125.7 | 142.2 | -55.8 | -14.2 | 0 | 0 | 0 | 122.6 | ||||
| 404 | E | 31.5 | Very low | 31 | Very low | 187 Ų | 187 | 164.2 Ų | 164.2 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | 21.7 | 151.6 | 140.3 | -66.4 | -170.2 | 128.2 | 0 | 0 | 123.6 | ||||
| 405 | C | 32 | Very low | 31 | Very low | 115 Ų | 115 | 164 Ų | 164 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | trans | 89.8 | 97.6 | 164.7 | -63.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 406 | D | 28.4 | Very low | 31.2 | Very low | 143 Ų | 143 | 164.4 Ų | 164.4 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | 52.4 | 147.1 | 127.2 | -79.7 | -27 | 0 | 0 | 0 | 122.4 | |||||
| 407 | L | 28.8 | Very low | 31.4 | Very low | 156 Ų | 156 | 162.1 Ų | 162.1 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | trans | 92.5 | 101.4 | 158.6 | -62.4 | 141.8 | 0 | 0 | 0 | 119.9 | ||||
| 408 | T | 31.9 | Very low | 31.8 | Very low | 118 Ų | 118 | 159 Ų | 159 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | 80.5 | 122.2 | 120.8 | -49.4 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 409 | F | 27.7 | Very low | 32.3 | Very low | 199 Ų | 199 | 158.2 Ų | 158.2 | 87% | 0.873 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 133.6 | 167.4 | -83.2 | -97.5 | 0 | 0 | 0 | 113.2 | ||
| 410 | P | 35 | Very low | 32.6 | Very low | 121 Ų | 121 | 156.9 Ų | 156.9 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 129 | 161.2 | 33 | -28.3 | 0 | 0 | 0 | 111.7 | ||
| 411 | Y | 31.9 | Very low | 32.9 | Very low | 225 Ų | 225 | 154.1 Ų | 154.1 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 146.5 | 160.2 | -133.5 | -90.2 | 0 | 0 | 0 | 108.1 | ||
| 412 | F | 31.2 | Very low | 33.1 | Very low | 200 Ų | 200 | 148.6 Ų | 148.6 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | 175.5 | 165.1 | 155.4 | -93.8 | -53.8 | 0 | 0 | 0 | 110.2 | ||||
| 413 | P | 35.6 | Very low | 32.9 | Very low | 117 Ų | 117 | 149.5 Ų | 149.5 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | cis | -128.9 | -179.1 | -18.2 | 30.1 | -8.9 | 0 | 0 | 0 | 114.4 | ||||
| 414 | T | 29.9 | Very low | 33 | Very low | 120 Ų | 120 | 149.4 Ų | 149.4 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -100.4 | 170.3 | -174.2 | 53.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 415 | N | 30.8 | Very low | 33 | Very low | 121 Ų | 121 | 147.9 Ų | 147.9 | 65% | 0.647 | 78% | 0.783 | S | S | * | * | trans | 117.2 | 115.4 | 147 | -64.4 | 1.7 | 0 | 0 | 0 | 116.4 | ||||
| 416 | Y | 36 | Very low | 33.1 | Very low | 238 Ų | 238 | 147.6 Ų | 147.6 | 93% | 0.933 | 78% | 0.779 | S | S | * | * | trans | -141.8 | 124.1 | 130.6 | -107.7 | -82.9 | 0 | 0 | 0 | 107.1 | ||||
| 417 | D | 34.4 | Very low | 33.1 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | trans | -83.7 | 151.1 | 178.3 | -58.5 | -76.5 | 0 | 0 | 0 | 110.8 | ||||
| 418 | D | 40.3 | Very low | 33.3 | Very low | 157 Ų | 157 | 147.9 Ų | 147.9 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | trans | -167.2 | 103.9 | 136.6 | -102.2 | -24.5 | 0 | 0 | 0 | 112 | ||||
| 419 | E | 39.5 | Very low | 33.1 | Very low | 154 Ų | 154 | 147.4 Ų | 147.4 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | 46 | 103.6 | 128.9 | -69.9 | -79.9 | 135.8 | 0 | 0 | 121.2 | |||||
| 420 | N | 35.4 | Very low | 33.4 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 66% | 0.658 | 77% | 0.774 | S | S | * | * | 87.6 | 132 | 118.2 | -108.2 | -34.9 | 0 | 0 | 0 | 123.6 | |||||
| 421 | I | 37.2 | Very low | 33.1 | Very low | 160 Ų | 160 | 145.7 Ų | 145.7 | 82% | 0.821 | 77% | 0.769 | S | S | * | * | trans | 66.3 | 132 | 156 | -49.2 | 158.9 | 0 | 0 | 0 | 116.6 | ||||
| 422 | G | 33.7 | Very low | 33 | Very low | 61 Ų | 61 | 143.4 Ų | 143.4 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | cis | 158.9 | 126.4 | -3.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 423 | N | 28.3 | Very low | 32.9 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | trans | 47.7 | 105.6 | 163.9 | -63.1 | -18.4 | 0 | 0 | 0 | 120.2 | ||||
| 424 | S | 34.6 | Very low | 32.9 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | -166.9 | 145.2 | 116.5 | 28.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 425 | Q | 30.7 | Very low | 32.9 | Very low | 154 Ų | 154 | 149 Ų | 149 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -62.4 | 163 | 172.2 | -85.4 | -86.4 | -40 | 0 | 0 | 111.8 | ||||
| 426 | P | 33.4 | Very low | 33 | Very low | 109 Ų | 109 | 150.1 Ų | 150.1 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | cis | -150 | 174.9 | 45.3 | 41.8 | -20.7 | 0 | 0 | 0 | 119.9 | ||||
| 427 | N | 29.3 | Very low | 32.7 | Very low | 123 Ų | 123 | 146.4 Ų | 146.4 | 66% | 0.658 | 77% | 0.769 | S | S | * | * | trans | 1.9 | 141.6 | 134.8 | -42.1 | -42.7 | 0 | 0 | 0 | 116.2 | ||||
| 428 | E | 32.8 | Very low | 32.7 | Very low | 183 Ų | 183 | 150 Ų | 150 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | -159.9 | 151.8 | 57.9 | -82.4 | -177.2 | 148.8 | 0 | 0 | 113.2 | |||||
| 429 | S | 28.3 | Very low | 32.4 | Very low | 108 Ų | 108 | 149.5 Ų | 149.5 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -75.8 | 134.8 | 166.7 | 53.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 430 | I | 32.4 | Very low | 31.8 | Very low | 155 Ų | 155 | 151.8 Ų | 151.8 | 80% | 0.795 | 79% | 0.789 | S | S | * | * | trans | -162.8 | 144.6 | 146.8 | -101.8 | 143.3 | 0 | 0 | 0 | 111.5 | ||||
| 431 | N | 28.7 | Very low | 31.6 | Very low | 128 Ų | 128 | 153.6 Ų | 153.6 | 68% | 0.684 | 80% | 0.797 | S | S | * | * | trans | -51.8 | 136.5 | -177.7 | -60.4 | -40.4 | 0 | 0 | 0 | 114.9 | ||||
| 432 | H | 30.3 | Very low | 31.3 | Very low | 178 Ų | 178 | 153.9 Ų | 153.9 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -113.6 | 60.7 | 158 | -99.6 | -89 | 0 | 0 | 0 | 112 | N434 | H432-N434 PolarHBondContact O-N 3.27Å; H432-N434 VanDerWaalsContact O-N 3.08Å | ||
| 433 | E | 30.2 | Very low | 31 | Very low | 175 Ų | 175 | 159.1 Ų | 159.1 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -80.3 | 39.9 | 170.8 | -160.3 | 174.9 | -155.1 | 0 | 0 | 111.5 | ||||
| 434 | N | 35.6 | Very low | 31.1 | Very low | 123 Ų | 123 | 160 Ų | 160 | 66% | 0.658 | 81% | 0.806 | S | S | * | * | trans | -132.9 | 29.6 | -158.8 | -94.6 | -35.5 | 0 | 0 | 0 | 115.5 | H432 | H432-N434 PolarHBondContact O-N 3.27Å; H432-N434 VanDerWaalsContact O-N 3.08Å | ||
| 435 | W | 29.8 | Very low | 31 | Very low | 256 Ų | 256 | 158.8 Ų | 158.8 | 97% | 0.97 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -110.3 | 28.9 | 167.3 | -153.6 | 61.2 | 0 | 0 | 0 | 113.8 | ||
| 436 | I | 31.4 | Very low | 30.7 | Very low | 144 Ų | 144 | 158.7 Ų | 158.7 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -126.5 | 144.8 | 161.7 | -57 | 179 | 0 | 0 | 0 | 105.2 | ||
| 437 | I | 31.4 | Very low | 30.7 | Very low | 161 Ų | 161 | 163 Ų | 163 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | trans | 88.6 | 59.8 | -174.7 | -42.6 | 160.1 | 0 | 0 | 0 | 115.3 | ||||
| 438 | K | 33.6 | Very low | 30.6 | Very low | 205 Ų | 205 | 165.4 Ų | 165.4 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -169.2 | 86.2 | 148 | -117.6 | 178.8 | 177.5 | 179 | 0 | 106 | ||
| 439 | T | 33.2 | Very low | 30.6 | Very low | 145 Ų | 145 | 164.9 Ų | 164.9 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | -150.9 | 119 | 62.9 | 37.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 440 | K | 28.6 | Very low | 30.4 | Very low | 203 Ų | 203 | 165.2 Ų | 165.2 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -109.5 | 117.4 | 160.8 | -123.9 | -172.7 | -177.7 | -177.8 | 0 | 106.1 | ||||
| 441 | L | 30 | Very low | 30.1 | Very low | 161 Ų | 161 | 166.6 Ų | 166.6 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | 172.4 | 131.7 | 166.8 | -92.3 | 179.7 | 0 | 0 | 0 | 105.6 | ||||
| 442 | Q | 31.3 | Very low | 30.2 | Very low | 165 Ų | 165 | 167 Ų | 167 | 77% | 0.771 | 82% | 0.816 | S | S | * | * | cis | -157.2 | 133.3 | -21.9 | -163.9 | 83.8 | -22.8 | 0 | 0 | 105.2 | ||||
| 443 | L | 27.1 | Very low | 30.2 | Very low | 171 Ų | 171 | 166.4 Ų | 166.4 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | trans | -83.9 | 123.4 | 175.2 | -89 | 162.3 | 0 | 0 | 0 | 110.5 | ||||
| 444 | H | 29.9 | Very low | 30.2 | Very low | 185 Ų | 185 | 163 Ų | 163 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -173.8 | 142.6 | 157.3 | -107.1 | -88.5 | 0 | 0 | 0 | 106.1 | ||||
| 445 | S | 32.3 | Very low | 29.8 | Very low | 102 Ų | 102 | 164.1 Ų | 164.1 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | cis | -149 | 158 | 4.7 | 44.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 446 | N | 25.8 | Very low | 29.7 | Very low | 152 Ų | 152 | 160 Ų | 160 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | -70.7 | 152.9 | 175.5 | -44.5 | -37.1 | 0 | 0 | 0 | 111.3 | ||||
| 447 | E | 33.6 | Very low | 29.8 | Very low | 201 Ų | 201 | 159.3 Ų | 159.3 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | trans | -157.1 | 131.2 | 133.4 | -117.6 | 164.6 | -149.7 | 0 | 0 | 110.8 | ||||
| 448 | E | 27.1 | Very low | 29.5 | Very low | 173 Ų | 173 | 159.3 Ų | 159.3 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | trans | -92.7 | 130.1 | -179.1 | -56.8 | 169.4 | 121.8 | 0 | 0 | 109.6 | ||||
| 449 | I | 31.5 | Very low | 29.4 | Very low | 171 Ų | 171 | 156.9 Ų | 156.9 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -134.7 | 110.1 | 153.7 | -58.6 | -176.1 | 0 | 0 | 0 | 108.8 | ||||
| 450 | N | 25.6 | Very low | 29.1 | Very low | 116 Ų | 116 | 155 Ų | 155 | 62% | 0.62 | 80% | 0.803 | S | S | * | * | trans | -82.2 | 176.8 | 171.8 | -81.5 | -62.7 | 0 | 0 | 0 | 111.5 | ||||
| 451 | F | 25.5 | Very low | 29.3 | Very low | 183 Ų | 183 | 153.1 Ų | 153.1 | 80% | 0.803 | 80% | 0.801 | S | S | * | * | trans | 90.5 | 103.8 | 147.2 | -70.8 | -60.4 | 0 | 0 | 0 | 120.2 | ||||
| 452 | I | 30.1 | Very low | 29.1 | Very low | 138 Ų | 138 | 152.6 Ų | 152.6 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | 142.7 | 118.6 | 113.1 | -78.6 | 144.5 | 0 | 0 | 0 | 112.9 | P454 | I452-P454 HydrophobicContact CG2-CG 4.03Š| |||
| 453 | N | 31.5 | Very low | 29.1 | Very low | 165 Ų | 165 | 152.2 Ų | 152.2 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -94.6 | 137.1 | 155.7 | -78.8 | -9.3 | 0 | 0 | 0 | 108.9 | ||||
| 454 | P | 29.8 | Very low | 29.1 | Very low | 104 Ų | 104 | 148.9 Ų | 148.9 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | trans | -133.2 | 121.7 | 141 | 17.1 | 4.7 | 0 | 0 | 0 | 109.7 | I452 | I452-P454 HydrophobicContact CG2-CG 4.03Š| ||
| 455 | L | 27.4 | Very low | 29.2 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | 66 | 110.7 | 77 | -162.1 | 75.8 | 0 | 0 | 0 | 113.6 | |||||
| 456 | E | 27.1 | Very low | 29.1 | Very low | 169 Ų | 169 | 147.9 Ų | 147.9 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | 22 | 115.9 | 148.8 | -56.4 | 170.9 | 163.7 | 0 | 0 | 119.3 | ||||
| 457 | T | 33.4 | Very low | 29.6 | Very low | 130 Ų | 130 | 146.1 Ų | 146.1 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | trans | -141.3 | 108 | 138.7 | 53.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 458 | D | 26.1 | Very low | 29.8 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -58 | 138.2 | 153.5 | -81.5 | -46.7 | 0 | 0 | 0 | 109.3 | ||||
| 459 | N | 31.6 | Very low | 30.2 | Very low | 154 Ų | 154 | 145.9 Ų | 145.9 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -157.7 | 110.4 | 149.4 | -98.8 | -44.4 | 0 | 0 | 0 | 110.8 | ||||
| 460 | S | 26.9 | Very low | 30.2 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -60.3 | 141.6 | 170.1 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 461 | I | 32.4 | Very low | 30.5 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -141.4 | 119.4 | 144.9 | -89 | 137.1 | 0 | 0 | 0 | 107.8 | ||||
| 462 | N | 25.5 | Very low | 30.5 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -86.6 | 150.5 | 163.4 | -77.1 | -37.4 | 0 | 0 | 0 | 109.5 | ||||
| 463 | I | 30.6 | Very low | 30.5 | Very low | 157 Ų | 157 | 145.5 Ų | 145.5 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | 176.8 | 102.3 | 149.4 | -88.4 | 143.7 | 0 | 0 | 0 | 103.3 | ||||
| 464 | S | 26.8 | Very low | 30.3 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | 61.4 | 112.7 | 71.5 | -164.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 465 | V | 33.6 | Very low | 30.3 | Very low | 130 Ų | 130 | 147.5 Ų | 147.5 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | 177.1 | 139.8 | 119.1 | 153.3 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 466 | D | 29.6 | Very low | 30.3 | Very low | 136 Ų | 136 | 150 Ų | 150 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -54.7 | 152.1 | -177.5 | -42.9 | -77.7 | 0 | 0 | 0 | 115.8 | ||||
| 467 | S | 35.5 | Very low | 30.4 | Very low | 116 Ų | 116 | 149.3 Ų | 149.3 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | 177.3 | 122.4 | 110 | 33.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 468 | E | 37.5 | Very low | 30.2 | Very low | 184 Ų | 184 | 150.2 Ų | 150.2 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | 47.7 | 115.9 | 138.2 | -59.2 | -168 | 168.7 | 0 | 0 | 124.4 | ||||
| 469 | E | 36.8 | Very low | 30.5 | Very low | 185 Ų | 185 | 152.1 Ų | 152.1 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | 84.4 | 149.5 | 131.3 | -69.4 | -129.4 | 141.7 | 0 | 0 | 122.7 | ||||
| 470 | P | 30.8 | Very low | 30.3 | Very low | 106 Ų | 106 | 149.7 Ų | 149.7 | 69% | 0.688 | 81% | 0.806 | S | S | * | * | trans | -120 | 146.6 | -149.7 | 39 | -24.7 | 0 | 0 | 0 | 114.8 | ||||
| 471 | I | 32.1 | Very low | 30.4 | Very low | 169 Ų | 169 | 151.1 Ų | 151.1 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -132.7 | 130.2 | 161.7 | -56.5 | -178.7 | 0 | 0 | 0 | 109.6 | N473 | I471-N473 PolarHBondContact O-N 3.33Š| ||
| 472 | L | 26.4 | Very low | 30.1 | Very low | 161 Ų | 161 | 148 Ų | 148 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -55 | 128.1 | 173.6 | -61.9 | 161.8 | 0 | 0 | 0 | 110.7 | ||||
| 473 | N | 29.2 | Very low | 30.4 | Very low | 164 Ų | 164 | 151.9 Ų | 151.9 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -154.8 | 145 | 136.9 | -103 | -29.6 | 0 | 0 | 0 | 112.4 | I471 | I471-N473 PolarHBondContact O-N 3.33Š| ||
| 474 | L | 26.7 | Very low | 30.3 | Very low | 150 Ų | 150 | 153.1 Ų | 153.1 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -75 | 120.8 | 177 | -179.6 | 78.5 | 0 | 0 | 0 | 108.8 | ||||
| 475 | D | 30.3 | Very low | 30.5 | Very low | 160 Ų | 160 | 158.8 Ų | 158.8 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | trans | -148.3 | 126.8 | 156.2 | -101.3 | -36.1 | 0 | 0 | 0 | 111.1 | ||||
| 476 | F | 27.2 | Very low | 30.2 | Very low | 198 Ų | 198 | 159 Ų | 159 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | trans | -76.1 | 131 | 163.6 | -93.5 | -109.3 | 0 | 0 | 0 | 107.7 | ||||
| 477 | D | 30.5 | Very low | 30.4 | Very low | 155 Ų | 155 | 161 Ų | 161 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | trans | -145 | 147.3 | 158.6 | -145.3 | -7.7 | 0 | 0 | 0 | 114.4 | ||||
| 478 | L | 28.4 | Very low | 30.2 | Very low | 149 Ų | 149 | 162.3 Ų | 162.3 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | -87.7 | 130.4 | -168.7 | -66.8 | 114 | 0 | 0 | 0 | 112.4 | ||||
| 479 | K | 31.9 | Very low | 30 | Very low | 200 Ų | 200 | 161.8 Ų | 161.8 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | trans | -128.8 | 101.7 | 149.9 | -77.2 | 178.9 | 177.7 | 170 | 0 | 108.7 | ||||
| 480 | S | 28.1 | Very low | 29.9 | Very low | 104 Ų | 104 | 160.2 Ų | 160.2 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | 63.5 | 79.6 | 54.8 | 89.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 481 | C | 27.7 | Very low | 30 | Very low | 136 Ų | 136 | 158.5 Ų | 158.5 | 92% | 0.919 | 81% | 0.806 | S | S | * | * | trans | -128.2 | 106.9 | 153.8 | -92.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 482 | S | 28 | Very low | 30.2 | Very low | 97 Ų | 97 | 158.7 Ų | 158.7 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | trans | -82.5 | 144.4 | 176.9 | 53.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 483 | Y | 30.6 | Very low | 30.7 | Very low | 232 Ų | 232 | 160.5 Ų | 160.5 | 91% | 0.91 | 80% | 0.8 | S | S | * | * | trans | -128.4 | 104.7 | 152.4 | -111.1 | -90 | 0 | 0 | 0 | 108.3 | ||||
| 484 | Y | 28 | Very low | 31 | Very low | 184 Ų | 184 | 162.3 Ų | 162.3 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -75.6 | 132.6 | 173.6 | -108.8 | -97.9 | 0 | 0 | 0 | 109.3 | H486 | Y484-H486 AromaticContact CD1-CD2 3.65Å; Y484-H486 AromaticContact CE1-CD2 3.86Å; Y484-H486 AromaticContact CE1-NE2 3.83Å | ||
| 485 | Y | 30.8 | Very low | 31.3 | Very low | 219 Ų | 219 | 161.5 Ų | 161.5 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | -126 | 99 | 155.2 | -122.6 | -84.2 | 0 | 0 | 0 | 108.8 | ||||
| 486 | H | 28 | Very low | 31.8 | Very low | 134 Ų | 134 | 158.2 Ų | 158.2 | 62% | 0.62 | 78% | 0.782 | S | S | * | * | trans | -67.9 | 128.2 | 169.9 | -105.8 | -86.8 | 0 | 0 | 0 | 109.1 | Y484 | Y484-H486 AromaticContact CD1-CD2 3.65Å; Y484-H486 AromaticContact CE1-CD2 3.86Å; Y484-H486 AromaticContact CE1-NE2 3.83Å | ||
| 487 | H | 33.1 | Very low | 32.1 | Very low | 177 Ų | 177 | 163.7 Ų | 163.7 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | trans | -143.7 | 120.1 | 148.3 | -124.2 | -78.9 | 0 | 0 | 0 | 111.7 | ||||
| 488 | H | 31.2 | Very low | 32.2 | Very low | 145 Ų | 145 | 164.2 Ų | 164.2 | 67% | 0.671 | 80% | 0.798 | S | S | * | * | trans | -60.8 | 134.3 | 179.5 | -86.2 | -105.4 | 0 | 0 | 0 | 112.6 | ||||
| 489 | L | 34.9 | Very low | 32.4 | Very low | 173 Ų | 173 | 164.9 Ų | 164.9 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -137 | 86.9 | 147.9 | -85.1 | 175 | 0 | 0 | 0 | 109.8 | G491 | L489-G491 PolarHBondContact O-N 3.24Š| ||
| 490 | N | 33 | Very low | 32.4 | Very low | 151 Ų | 151 | 163 Ų | 163 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | -70.8 | 115.3 | 158.5 | -88.3 | -7.2 | 0 | 0 | 0 | 107.8 | ||||
| 491 | G | 33.8 | Very low | 32.7 | Very low | 70 Ų | 70 | 166.5 Ų | 166.5 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | -151.1 | 57.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L489 Y493 | L489-G491 PolarHBondContact O-N 3.24Å; G491-Y493 PolarHBondContact O-N 3.4Å | ||
| 492 | H | 36.9 | Very low | 33 | Very low | 174 Ų | 174 | 168.4 Ų | 168.4 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | -70.2 | 107.1 | 169.5 | -90.4 | -78.7 | 0 | 0 | 0 | 109.6 | ||||
| 493 | Y | 36.7 | Very low | 33.3 | Very low | 198 Ų | 198 | 173.1 Ų | 173.1 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -89.1 | 128.7 | 156.5 | -127.3 | -102.2 | 0 | 0 | 0 | 107.4 | G491 D495 | G491-Y493 PolarHBondContact O-N 3.4Å; Y493-D495 WeakPolarHBondContact CE1-OD2 3.32Å | ||
| 494 | Y | 36.2 | Very low | 33.5 | Very low | 203 Ų | 203 | 168.9 Ų | 168.9 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -124.5 | 98.4 | 164.8 | -114.2 | -78.8 | 0 | 0 | 0 | 106 | ||||
| 495 | D | 32.7 | Very low | 33.9 | Very low | 132 Ų | 132 | 167.8 Ų | 167.8 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | -86.5 | 125.7 | 160.9 | -84.8 | -42.5 | 0 | 0 | 0 | 107.9 | Y493 | Y493-D495 WeakPolarHBondContact CE1-OD2 3.32Š| ||
| 496 | S | 39.6 | Very low | 34.2 | Very low | 91 Ų | 91 | 163.5 Ų | 163.5 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | -165.9 | 106.2 | 164.1 | -76.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 497 | Y | 33.8 | Very low | 34.7 | Very low | 314 Ų | 314 | 166.2 Ų | 166.2 | 100% | 1.231 | 81% | 0.807 | S | S | * | * | trans | 77.5 | 0 | -177 | -63 | -83.5 | 0 | 0 | 0 | 117.2 |
Retrieved 497 of 497 residues in 145.9 ms
(Link to these results)