| 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 | 41.8 | Very low | 45.3 | Very low | 251 Ų | 251 | 148.6 Ų | 148.6 | 100% | 1.236 | 85% | 0.854 | S | S | * | * | 0 | 115 | 0 | -70.8 | -101.4 | -115.3 | 0 | 0 | 107.3 | |||||
| 2 | A | 40.1 | Very low | 45.3 | Very low | 106 Ų | 106 | 149.3 Ų | 149.3 | 88% | 0.876 | 85% | 0.851 | S | S | * | * | trans | -93.8 | 147.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 3 | A | 40.2 | Very low | 44.9 | Very low | 91 Ų | 91 | 146.8 Ų | 146.8 | 75% | 0.752 | 85% | 0.846 | S | S | * | * | trans | -171.4 | 104.2 | 153.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 4 | S | 41.9 | Very low | 44.8 | Very low | 110 Ų | 110 | 152.5 Ų | 152.5 | 77% | 0.769 | 85% | 0.847 | S | S | * | * | 52.5 | 93.5 | 70.3 | -156.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 5 | I | 53.9 | Low | 44.9 | Very low | 167 Ų | 167 | 151.9 Ų | 151.9 | 86% | 0.856 | 85% | 0.848 | S | S | * | * | trans | -130.9 | 124.3 | 158.6 | -52.6 | 179.1 | 0 | 0 | 0 | 107.7 | ||||
| 6 | R | 44.9 | Very low | 44.8 | Very low | 223 Ų | 223 | 150.3 Ų | 150.3 | 84% | 0.842 | 84% | 0.844 | S | S | * | * | trans | -78.6 | 138.1 | -167.4 | -66.3 | 175 | 173.8 | -166.5 | -3 | 111.3 | ||||
| 7 | G | 41.7 | Very low | 45.2 | Very low | 79 Ų | 79 | 148 Ų | 148 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | trans | -69.1 | 140.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 8 | V | 56.3 | Low | 45.2 | Very low | 148 Ų | 148 | 149.8 Ų | 149.8 | 90% | 0.897 | 84% | 0.843 | S | S | * | * | trans | -94.7 | 113.8 | 173 | 178.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 9 | G | 43.8 | Very low | 45.3 | Very low | 62 Ų | 62 | 150.1 Ų | 150.1 | 64% | 0.639 | 84% | 0.841 | S | S | * | * | trans | -72.3 | 140.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 10 | R | 46.4 | Very low | 45.1 | Very low | 243 Ų | 243 | 149.6 Ų | 149.6 | 92% | 0.917 | 84% | 0.836 | S | S | * | * | trans | -71.3 | 120.3 | 169.8 | -70.2 | 176.6 | 174.8 | 175.8 | -2.1 | 109.5 | ||||
| 11 | I | 47.9 | Very low | 45.1 | Very low | 155 Ų | 155 | 149.6 Ų | 149.6 | 80% | 0.795 | 83% | 0.829 | S | S | * | * | trans | -90.6 | 109.5 | 168.8 | -63.8 | 174.9 | 0 | 0 | 0 | 108.1 | ||||
| 12 | L | 44.7 | Very low | 44.9 | Very low | 157 Ų | 157 | 145.2 Ų | 145.2 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -84 | 103.8 | 167 | -77.4 | 160.8 | 0 | 0 | 0 | 108.3 | R14 | L12-R14 PolarHBondContact O-N 3.47Š| ||
| 13 | C | 40.4 | Very low | 45 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | -89.2 | 100.4 | 163.4 | -78.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 14 | R | 43.6 | Very low | 44.9 | Very low | 227 Ų | 227 | 153.5 Ų | 153.5 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -76.2 | 122.9 | 161.8 | -72 | -177.5 | 169.8 | -177.6 | -2.5 | 108.5 | L12 | L12-R14 PolarHBondContact O-N 3.47Š| ||
| 15 | V | 45.5 | Very low | 44.9 | Very low | 143 Ų | 143 | 155 Ų | 155 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -139.8 | 111.6 | 153 | -166.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 16 | T | 43.9 | Very low | 44.4 | Very low | 126 Ų | 126 | 154.8 Ų | 154.8 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -98.7 | 169.8 | 169.8 | 11.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 17 | P | 51.5 | Low | 44.2 | Very low | 112 Ų | 112 | 152.7 Ų | 152.7 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | -103.3 | 165.5 | -127.6 | 40.5 | -33.7 | 0 | 0 | 0 | 113.3 | |||||
| 18 | L | 45.1 | Very low | 44.5 | Very low | 180 Ų | 180 | 154.3 Ų | 154.3 | 94% | 0.942 | 80% | 0.799 | S | S | * | * | trans | -118.8 | 120.6 | 160.1 | -76.2 | 172.5 | 0 | 0 | 0 | 110.7 | ||||
| 19 | L | 48 | Very low | 43.8 | Very low | 155 Ų | 155 | 154.8 Ų | 154.8 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -52.4 | 143.6 | 163.9 | -73.9 | 142.9 | 0 | 0 | 0 | 111.3 | ||||
| 20 | L | 41.4 | Very low | 43.6 | Very low | 140 Ų | 140 | 157.1 Ų | 157.1 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | 179.4 | 111.8 | 118.6 | -95.9 | 147.4 | 0 | 0 | 0 | 111.3 | |||||
| 21 | Q | 44.6 | Very low | 43.2 | Very low | 151 Ų | 151 | 151.6 Ų | 151.6 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | 36.1 | 125.5 | 135.7 | -59.3 | 170.3 | -0.1 | 0 | 0 | 118.9 | ||||
| 22 | N | 37.8 | Very low | 42.7 | Very low | 159 Ų | 159 | 154 Ų | 154 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | -157.5 | 130.9 | 101.6 | -105.8 | -55.7 | 0 | 0 | 0 | 113.6 | |||||
| 23 | I | 41.2 | Very low | 42.4 | Very low | 124 Ų | 124 | 154 Ų | 154 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | -87.4 | 124.1 | 177.3 | -66.6 | 164.2 | 0 | 0 | 0 | 106.7 | Q25 | I23-Q25 HydrophobicContact CG2-CB 4.36Å; I23-Q25 HydrophobicContact CG2-CG 3.77Å | ||
| 24 | R | 37.9 | Very low | 42.4 | Very low | 246 Ų | 246 | 158.9 Ų | 158.9 | 93% | 0.928 | 79% | 0.794 | S | S | * | * | trans | -120 | 87.3 | 156.2 | -85.6 | -169.3 | 174.2 | -163.9 | -0.5 | 108.7 | N26 | R24-N26 PolarHBondContact O-N 3.21Š| ||
| 25 | Q | 43.2 | Very low | 42.5 | Very low | 143 Ų | 143 | 153.7 Ų | 153.7 | 67% | 0.668 | 79% | 0.79 | S | S | * | * | trans | -76.9 | 106.1 | 161.6 | -74.1 | 174.8 | -4.2 | 0 | 0 | 107.6 | I23 K27 | I23-Q25 HydrophobicContact CG2-CB 4.36Å; I23-Q25 HydrophobicContact CG2-CG 3.77Å; Q25-K27 PolarHBondContact O-N 3.31Å | ||
| 26 | N | 42.1 | Very low | 42.2 | Very low | 162 Ų | 162 | 158.6 Ų | 158.6 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | -73.8 | 103.6 | 160.6 | -89.2 | -7.4 | 0 | 0 | 0 | 107.7 | R24 S28 | R24-N26 PolarHBondContact O-N 3.21Å; N26-S28 PolarHBondContact O-N 3.44Å | ||
| 27 | K | 40.9 | Very low | 42 | Very low | 179 Ų | 179 | 156.6 Ų | 156.6 | 78% | 0.778 | 79% | 0.789 | S | S | * | * | trans | -77.9 | 109.9 | 168.2 | -67.9 | 179.7 | 178.8 | 178 | 0 | 108 | Q25 | Q25-K27 PolarHBondContact O-N 3.31Š| ||
| 28 | S | 48.1 | Very low | 41.4 | Very low | 113 Ų | 113 | 157.4 Ų | 157.4 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -76.9 | 124.6 | 163.6 | 52.5 | 0 | 0 | 0 | 0 | 109.3 | N26 | N26-S28 PolarHBondContact O-N 3.44Š| ||
| 29 | L | 41.8 | Very low | 41 | Very low | 158 Ų | 158 | 158.3 Ų | 158.3 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -72.8 | 137.5 | 171.4 | -68.7 | 167.2 | 0 | 0 | 0 | 110.1 | V31 | L29-V31 PolarHBondContact O-N 3.45Š| ||
| 30 | P | 40 | Very low | 40.7 | Very low | 110 Ų | 110 | 156.6 Ų | 156.6 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | trans | -86 | 108.1 | 171.2 | 32.3 | -28.2 | 0 | 0 | 0 | 109.5 | R32 | P30-R32 PolarHBondContact O-N 3.2Š| ||
| 31 | V | 38.8 | Very low | 40.6 | Very low | 128 Ų | 128 | 153.4 Ų | 153.4 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -81.7 | 96.4 | 163.9 | 179.6 | 0 | 0 | 0 | 0 | 107.4 | L29 L33 | L29-V31 PolarHBondContact O-N 3.45Å; V31-L33 HydrophobicContact CG1-CD1 4.23Å | ||
| 32 | R | 36.6 | Very low | 40.3 | Very low | 204 Ų | 204 | 153 Ų | 153 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | -82.6 | 116.4 | 162.2 | -73.7 | -174 | 178 | -141.3 | 0.3 | 108 | P30 | P30-R32 PolarHBondContact O-N 3.2Š| ||
| 33 | L | 38.9 | Very low | 40.7 | Very low | 159 Ų | 159 | 155.1 Ų | 155.1 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -116.1 | 121.4 | 156.3 | -94.2 | 149.8 | 0 | 0 | 0 | 107.5 | V31 | V31-L33 HydrophobicContact CG1-CD1 4.23Š| ||
| 34 | W | 38.9 | Very low | 40.8 | Very low | 218 Ų | 218 | 154.2 Ų | 154.2 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -89.1 | 166 | 178.2 | -102.4 | 15.9 | 0 | 0 | 0 | 111 | ||||
| 35 | P | 47.2 | Very low | 41 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | -89.9 | 160.5 | -147.5 | 36 | -34.6 | 0 | 0 | 0 | 112.6 | ||||
| 36 | R | 38.7 | Very low | 41 | Very low | 246 Ų | 246 | 148.4 Ų | 148.4 | 93% | 0.928 | 80% | 0.804 | S | S | * | * | trans | -137.7 | 110.5 | 162.8 | -150 | 173.4 | -176.9 | -177.1 | -0.2 | 112.1 | ||||
| 37 | A | 38.9 | Very low | 41.2 | Very low | 84 Ų | 84 | 144.7 Ų | 144.7 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | trans | 50.9 | 110.7 | 139.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 38 | V | 39.2 | Very low | 41.3 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -34.2 | 134 | 142.5 | 176.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 39 | F | 36.1 | Very low | 40.9 | Very low | 200 Ų | 200 | 143.4 Ų | 143.4 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -152.3 | 151.5 | 133.6 | -86.4 | -68.7 | 0 | 0 | 0 | 110.2 | ||||
| 40 | P | 41.9 | Very low | 41 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -99.6 | 161.2 | -151.6 | 37.6 | -35 | 0 | 0 | 0 | 114.6 | ||||
| 41 | G | 39.2 | Very low | 41.1 | Very low | 74 Ų | 74 | 140.8 Ų | 140.8 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | 98.9 | 85.2 | 142.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 42 | V | 39.5 | Very low | 41.1 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -142.1 | 110.6 | 142.9 | -178.5 | 0 | 0 | 0 | 0 | 107.4 | S44 | V42-S44 PolarHBondContact O-N 3.06Š| ||
| 43 | Q | 46.3 | Very low | 41.4 | Very low | 203 Ų | 203 | 134.1 Ų | 134.1 | 95% | 0.949 | 79% | 0.789 | S | S | * | * | trans | -70.7 | 112.9 | 168.8 | -69.5 | -179.8 | 17.6 | 0 | 0 | 107.6 | ||||
| 44 | S | 42.4 | Very low | 41.8 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -110.2 | 123.5 | 165.7 | -166 | 0 | 0 | 0 | 0 | 107.9 | V42 L46 | V42-S44 PolarHBondContact O-N 3.06Å; S44-L46 PolarHBondContact O-N 3.34Å | ||
| 45 | S | 43.4 | Very low | 41.7 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -44.4 | 118.5 | -174.4 | 49.2 | 0 | 0 | 0 | 0 | 113.9 | A47 | S45-A47 PolarHBondContact O-N 2.93Š| ||
| 46 | L | 42.3 | Very low | 41.6 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -61.4 | 100 | 162.7 | -90.7 | 150.8 | 0 | 0 | 0 | 109.3 | S44 L48 | S44-L46 PolarHBondContact O-N 3.34Å; L46-L48 PolarHBondContact O-N 2.88Å | ||
| 47 | A | 45.2 | Very low | 41.4 | Very low | 84 Ų | 84 | 122 Ų | 122 | 69% | 0.694 | 75% | 0.754 | S | S | * | * | trans | -78.5 | 98 | 154.6 | 0 | 0 | 0 | 0 | 0 | 107 | S45 C49 | S45-A47 PolarHBondContact O-N 2.93Å; A47-C49 PolarHBondContact O-N 3.33Å | ||
| 48 | L | 43 | Very low | 41.6 | Very low | 150 Ų | 150 | 124.2 Ų | 124.2 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -67.6 | 85.9 | 168.6 | -78.4 | 157.8 | 0 | 0 | 0 | 108.4 | L46 T50 | L46-L48 PolarHBondContact O-N 2.88Å; L48-T50 PolarHBondContact O-N 3.46Å | ||
| 49 | C | 40.3 | Very low | 41.6 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | trans | -82.9 | 101.8 | 158 | -64.3 | 0 | 0 | 0 | 0 | 106.4 | A47 A51 | A47-C49 PolarHBondContact O-N 3.33Å; C49-A51 VanDerWaalsContact C-N 3.3Å; C49-A51 PolarHBondContact O-N 3.22Å | ||
| 50 | T | 43.9 | Very low | 41.9 | Very low | 130 Ų | 130 | 116.9 Ų | 116.9 | 80% | 0.798 | 75% | 0.746 | S | S | * | * | trans | -66.8 | 93.8 | 168.8 | -53.1 | 0 | 0 | 0 | 0 | 107.5 | L48 A52 | L48-T50 PolarHBondContact O-N 3.46Å; T50-A52 PolarHBondContact O-N 2.89Å | ||
| 51 | A | 42.9 | Very low | 42.2 | Very low | 83 Ų | 83 | 113.9 Ų | 113.9 | 69% | 0.686 | 74% | 0.736 | S | S | * | * | trans | -60.3 | 119.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | C49 S53 | C49-A51 VanDerWaalsContact C-N 3.3Å; C49-A51 PolarHBondContact O-N 3.22Å; A51-S53 VanDerWaalsContact C-N 3.26Å; A51-S53 PolarHBondContact O-N 2.81Å | ||
| 52 | A | 38.9 | Very low | 42.8 | Very low | 96 Ų | 96 | 116.5 Ų | 116.5 | 79% | 0.793 | 73% | 0.729 | S | S | * | * | trans | -60.5 | 95.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | T50 | T50-A52 PolarHBondContact O-N 2.89Š| ||
| 53 | S | 42.5 | Very low | 43.4 | Very low | 96 Ų | 96 | 111.8 Ų | 111.8 | 67% | 0.671 | 71% | 0.705 | S | S | * | * | trans | -55.1 | 134 | 161.2 | -66.8 | 0 | 0 | 0 | 0 | 106.8 | A51 E55 | A51-S53 VanDerWaalsContact C-N 3.26Å; A51-S53 PolarHBondContact O-N 2.81Å; S53-E55 PolarHBondContact O-N 3.45Å | ||
| 54 | P | 46.9 | Very low | 44.1 | Very low | 105 Ų | 105 | 107 Ų | 107 | 68% | 0.682 | 69% | 0.685 | S | S | * | * | trans | -55.9 | 120.4 | 166.3 | 22.3 | -28.6 | 0 | 0 | 0 | 106.7 | I56 | P54-I56 PolarHBondContact O-N 3.36Š| ||
| 55 | E | 36.6 | Very low | 45.4 | Very low | 180 Ų | 180 | 104.6 Ų | 104.6 | 84% | 0.841 | 67% | 0.672 | S | S | * | * | trans | -58.6 | 108.8 | 173.6 | -60.1 | -156.8 | -178.7 | 0 | 0 | 106.9 | S53 P57 | S53-E55 PolarHBondContact O-N 3.45Å; E55-P57 WeakPolarHBondContact O-CD 3.32Å | ||
| 56 | I | 46.3 | Very low | 47.5 | Very low | 154 Ų | 154 | 105.1 Ų | 105.1 | 79% | 0.79 | 66% | 0.656 | S | S | * | * | trans | -65.6 | 112.8 | 169 | -61.1 | 172 | 0 | 0 | 0 | 104.2 | P54 S58 | P54-I56 PolarHBondContact O-N 3.36Å; I56-S58 PolarHBondContact O-N 2.88Å; I56-S58 VanDerWaalsContact O-N 3.09Å | ||
| 57 | P | 34.6 | Very low | 49.8 | Very low | 47 Ų | 47 | 98.8 Ų | 98.8 | 31% | 0.305 | 62% | 0.622 | S | S | . | * | trans | -59.7 | 121.7 | -178.7 | -18.5 | 31.3 | 0 | 0 | 0 | 108 | E55 D59 | E55-P57 WeakPolarHBondContact O-CD 3.32Å; P57-D59 PolarHBondContact O-N 3.24Å; P57-D59 VanDerWaalsContact O-N 3.1Å | ||
| 58 | S | 42.5 | Very low | 51.9 | Low | 131 Ų | 131 | 101.7 Ų | 101.7 | 92% | 0.916 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -76.2 | 10.6 | -174.6 | 65.6 | 0 | 0 | 0 | 0 | 113.6 | I56 | I56-S58 PolarHBondContact O-N 2.88Å; I56-S58 VanDerWaalsContact O-N 3.09Å |
| 59 | D | 38.8 | Very low | 54.2 | Low | 107 Ų | 107 | 101.2 Ų | 101.2 | 57% | 0.572 | 62% | 0.617 | S | S | * | * | trans | -110.5 | 111.5 | 177.7 | -154.5 | -2.3 | 0 | 0 | 0 | 110 | P57 G61 E62 | P57-D59 PolarHBondContact O-N 3.24Å; P57-D59 VanDerWaalsContact O-N 3.1Å; D59-G61 PolarHBondContact O-N 3.46Å; D59-E62 PolarHBondContact O-N 3.02Å | ||
| 60 | G | 43.4 | Very low | 56.7 | Low | 67 Ų | 67 | 102.3 Ų | 102.3 | 69% | 0.691 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -61.4 | -15.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 61 | G | 47 | Very low | 59.2 | Low | 54 Ų | 54 | 96.2 Ų | 96.2 | 56% | 0.557 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -76.4 | -30.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D59 | D59-G61 PolarHBondContact O-N 3.46Å |
| 62 | E | 52.5 | Low | 61.6 | Low | 129 Ų | 129 | 95.2 Ų | 95.2 | 60% | 0.603 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -83.5 | -31.1 | -173.2 | -165.4 | 153.3 | -172.9 | 0 | 0 | 112.2 | D59 L64 A65 | D59-E62 PolarHBondContact O-N 3.02Å; E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 3.22Å; E62-A65 PolarHBondContact O-N 3.13Å |
| 63 | A | 52.3 | Low | 64.3 | Low | 43 Ų | 43 | 93 Ų | 93 | 36% | 0.355 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -33.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | A65 | A63-A65 VanDerWaalsContact C-N 3.28Å; A63-A65 PolarHBondContact O-N 2.61Å |
| 64 | L | 60.5 | Low | 66.9 | Low | 104 Ų | 104 | 88.7 Ų | 88.7 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -20.5 | 179.7 | -163.1 | 121.2 | 0 | 0 | 0 | 112.8 | E62 | E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 3.22Å |
| 65 | A | 69.3 | Low | 69.2 | Low | 54 Ų | 54 | 84.4 Ų | 84.4 | 45% | 0.446 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -23.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E62 A63 Y67 K68 | E62-A65 PolarHBondContact O-N 3.13Å; A63-A65 VanDerWaalsContact C-N 3.28Å; A63-A65 PolarHBondContact O-N 2.61Å; A65-Y67 VanDerWaalsContact C-N 3.3Å; A65-Y67 PolarHBondContact O-N 3.3Å; A65-Y67 VanDerWaalsContact O-N 3.13Å; A65-K68 WeakPolarHBondContact O-CB 3.14Å; A65-K68 PolarHBondContact O-N 3.33Å; A65-K68 VanDerWaalsContact O-N 3.14Å |
| 66 | R | 87.1 | Confident | 71.9 | Confident | 121 Ų | 121 | 81.2 Ų | 81.2 | 46% | 0.457 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -42.8 | -169.3 | -172.9 | -177.5 | -69.6 | 161.7 | -3.6 | 114.1 | E79 | R66-E79 IonicContact NH1-OE1 3.16Å; R66-E79 PolarHBondContact NH1-OE1 3.28Å; R66-E79 VanDerWaalsContact NH1-OE1 3.16Å |
| 67 | Y | 90.9 | Very high | 74.3 | Confident | 25 Ų | 25 | 74.7 Ų | 74.7 | 10% | 0.098 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 11.9 | -174.9 | -54.8 | -68.3 | 0 | 0 | 0 | 113.9 | A65 R70 P71 D73 Y74 E79 N128 | A65-Y67 VanDerWaalsContact C-N 3.3Å; A65-Y67 PolarHBondContact O-N 3.3Å; A65-Y67 VanDerWaalsContact O-N 3.13Å; Y67-R70 CarbonylContact O-C 3.58Å; Y67-P71 VanDerWaalsContact O-CA 3.29Å; Y67-P71 WeakPolarHBondContact O-CA 3.41Å; Y67-D73 HydrophobicContact CD1-CB 4.3Å; Y67-Y74 AromaticContact CD2-CD2 3.81Å; Y67-Y74 HydrophobicContact CD2-CD2 3.81Å; Y67-Y74 HydrophobicContact CD2-CG 4.15Å; Y67-Y74 AromaticContact CE2-CD2 3.49Å; Y67-Y74 HydrophobicContact CE2-CD2 3.49Å; Y67-Y74 VanDerWaalsContact CE2-CD2 3.49Å; Y67-Y74 HydrophobicContact CE2-CE2 4.28Å; Y67-Y74 HydrophobicContact CE2-CG 4.24Å; Y67-Y74 HydrophobicContact CG-CD2 4.43Å; Y67-Y74 HydrophobicContact CG-CG 4.4Å; Y67-Y74 AromaticContact CZ-CD2 3.88Å; Y67-E79 PolarHBondContact OH-OE2 3.24Å; Y67-N128 HydrophobicContact CD2-CB 4.17Å |
| 68 | K | 89.8 | Confident | 77.2 | Confident | 145 Ų | 145 | 79.8 Ų | 79.8 | 63% | 0.63 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -66.9 | -43.2 | -173.7 | -169.8 | 176.2 | 179.3 | -175.7 | 0 | 112.5 | A65 | A65-K68 WeakPolarHBondContact O-CB 3.14Å; A65-K68 PolarHBondContact O-N 3.33Å; A65-K68 VanDerWaalsContact O-N 3.14Å |
| 69 | D | 90.9 | Very high | 79.7 | Confident | 139 Ų | 139 | 77 Ų | 77 | 74% | 0.743 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -81.4 | -35.2 | -178 | -61.6 | -29.2 | 0 | 0 | 0 | 111.9 | P71 | D69-P71 VanDerWaalsContact C-CD 3.48Å; D69-P71 WeakPolarHBondContact O-CD 3.31Å |
| 70 | R | 93.9 | Very high | 82.4 | Confident | 139 Ų | 139 | 72.6 Ų | 72.6 | 53% | 0.525 | 38% | 0.382 | S | S | . | . | trans | -124.6 | 75.7 | 179.3 | -61.5 | 176.9 | 59.6 | 137.2 | 2.5 | 111.8 | Y67 W72 D73 | Y67-R70 CarbonylContact O-C 3.58Å; R70-W72 HydrophobicContact CB-CH2 4.39Å; R70-W72 HydrophobicContact CB-CZ2 3.87Å; R70-W72 HydrophobicContact CG-CH2 4.26Å; R70-W72 HydrophobicContact CG-CZ2 3.72Å; R70-W72 PolarHBondContact O-N 3.29Å; R70-W72 VanDerWaalsContact O-N 3.16Å; R70-D73 WeakPolarHBondContact CB-OD2 3.42Å; R70-D73 WeakPolarHBondContact CD-OD2 3.19Å; R70-D73 IonicContact CZ-OD1 3.97Å; R70-D73 IonicContact CZ-OD2 3.65Å; R70-D73 IonicContact NE-OD1 3.59Å; R70-D73 IonicContact NE-OD2 2.81Å; R70-D73 PolarHBondContact NE-OD2 3.4Å; R70-D73 IonicContact NH2-OD1 3.43Å; R70-D73 PolarHBondContact NH2-OD1 3.02Å; R70-D73 IonicContact NH2-OD2 3.8Å; R70-D73 PolarHBondContact O-N 3.46Å | ||
| 71 | P | 94.9 | Very high | 84.9 | Confident | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.006 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.4 | -23.7 | -177.6 | -29.6 | 38 | 0 | 0 | 0 | 116 | Y67 D69 D73 I130 N132 N135 | Y67-P71 VanDerWaalsContact O-CA 3.29Å; Y67-P71 WeakPolarHBondContact O-CA 3.41Å; D69-P71 VanDerWaalsContact C-CD 3.48Å; D69-P71 WeakPolarHBondContact O-CD 3.31Å; P71-D73 VanDerWaalsContact C-N 3.33Å; P71-I130 HydrophobicContact CB-CB 4.02Å; P71-I130 HydrophobicContact CG-CB 4.03Å; P71-I130 HydrophobicContact CG-CD1 4.49Å; P71-I130 HydrophobicContact CG-CG2 4.05Å; P71-N132 HydrophobicContact CG-CB 4.18Å; P71-N135 PolarHBondContact O-ND2 2.92Å |
| 72 | W | 94.8 | Very high | 87.3 | Confident | 62 Ų | 62 | 75.9 Ų | 75.9 | 24% | 0.235 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -72.8 | -25.9 | -179 | 50.3 | 83.3 | 0 | 0 | 0 | 112.8 | R70 Y74 L75 Q134 | R70-W72 HydrophobicContact CB-CH2 4.39Å; R70-W72 HydrophobicContact CB-CZ2 3.87Å; R70-W72 HydrophobicContact CG-CH2 4.26Å; R70-W72 HydrophobicContact CG-CZ2 3.72Å; R70-W72 PolarHBondContact O-N 3.29Å; R70-W72 VanDerWaalsContact O-N 3.16Å; W72-Y74 PolarHBondContact O-N 2.61Å; W72-L75 PolarHBondContact O-N 3.35Å; W72-Q134 HydrophobicContact CE3-CB 3.94Å; W72-Q134 HydrophobicContact CZ3-CB 3.69Å; W72-Q134 HydrophobicContact CZ3-CG 4.42Å |
| 73 | D | 95.9 | Very high | 89.3 | Confident | 50 Ų | 50 | 75.2 Ų | 75.2 | 27% | 0.267 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.7 | -30.3 | 178.6 | -62.8 | -17.4 | 0 | 0 | 0 | 110.7 | Y67 R70 P71 L75 E76 S77 | Y67-D73 HydrophobicContact CD1-CB 4.3Å; R70-D73 WeakPolarHBondContact CB-OD2 3.42Å; R70-D73 WeakPolarHBondContact CD-OD2 3.19Å; R70-D73 IonicContact CZ-OD1 3.97Å; R70-D73 IonicContact CZ-OD2 3.65Å; R70-D73 IonicContact NE-OD1 3.59Å; R70-D73 IonicContact NE-OD2 2.81Å; R70-D73 PolarHBondContact NE-OD2 3.4Å; R70-D73 IonicContact NH2-OD1 3.43Å; R70-D73 PolarHBondContact NH2-OD1 3.02Å; R70-D73 IonicContact NH2-OD2 3.8Å; R70-D73 PolarHBondContact O-N 3.46Å; P71-D73 VanDerWaalsContact C-N 3.33Å; D73-L75 PolarHBondContact O-N 3.32Å; D73-E76 PolarHBondContact O-N 3.19Å; D73-S77 PolarHBondContact O-N 3.24Å |
| 74 | Y | 95.7 | Very high | 91.4 | Very high | 5 Ų | 5 | 73.8 Ų | 73.8 | 2% | 0.02 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 176.7 | 178 | -120.2 | 0 | 0 | 0 | 113 | Y67 W72 E76 S77 E79 Y80 N128 V129 | Y67-Y74 AromaticContact CD2-CD2 3.81Å; Y67-Y74 HydrophobicContact CD2-CD2 3.81Å; Y67-Y74 HydrophobicContact CD2-CG 4.15Å; Y67-Y74 AromaticContact CE2-CD2 3.49Å; Y67-Y74 HydrophobicContact CE2-CD2 3.49Å; Y67-Y74 VanDerWaalsContact CE2-CD2 3.49Å; Y67-Y74 HydrophobicContact CE2-CE2 4.28Å; Y67-Y74 HydrophobicContact CE2-CG 4.24Å; Y67-Y74 HydrophobicContact CG-CD2 4.43Å; Y67-Y74 HydrophobicContact CG-CG 4.4Å; Y67-Y74 AromaticContact CZ-CD2 3.88Å; W72-Y74 PolarHBondContact O-N 2.61Å; Y74-E76 PolarHBondContact O-N 2.87Å; Y74-S77 VanDerWaalsContact O-CB 3.31Å; Y74-S77 WeakPolarHBondContact O-CB 3.25Å; Y74-S77 PolarHBondContact O-N 3.25Å; Y74-S77 VanDerWaalsContact O-N 3.13Å; Y74-S77 PolarHBondContact O-OG 2.98Å; Y74-E79 HydrophobicContact CE2-CB 4.37Å; Y74-Y80 HydrophobicContact CD1-CD2 4.29Å; Y74-Y80 AromaticContact CE1-CD2 3.76Å; Y74-Y80 HydrophobicContact CE1-CD2 3.76Å; Y74-Y80 WeakPolarHBondContact O-CB 3.45Å; Y74-N128 HydrophobicContact CD1-CB 3.75Å; Y74-N128 HydrophobicContact CD2-CB 3.78Å; Y74-N128 HydrophobicContact CE1-CB 3.63Å; Y74-N128 HydrophobicContact CE2-CB 3.66Å; Y74-N128 HydrophobicContact CG-CB 3.83Å; Y74-V129 HydrophobicContact CD1-CG2 4.41Å; Y74-V129 HydrophobicContact CE1-CG2 3.79Å |
| 75 | L | 95.1 | Very high | 93 | Very high | 16 Ų | 16 | 70.6 Ų | 70.6 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.6 | -19.8 | -179.3 | -65.9 | 175.6 | 0 | 0 | 0 | 113.2 | W72 D73 Y80 N135 K137 L138 | W72-L75 PolarHBondContact O-N 3.35Å; D73-L75 PolarHBondContact O-N 3.32Å; L75-Y80 HydrophobicContact CD2-CD1 4.26Å; L75-Y80 HydrophobicContact CD2-CD2 3.8Å; L75-Y80 HydrophobicContact CD2-CE1 3.91Å; L75-Y80 HydrophobicContact CD2-CE2 3.4Å; L75-Y80 VanDerWaalsContact CD2-CE2 3.4Å; L75-Y80 HydrophobicContact CD2-CG 4.21Å; L75-Y80 VanDerWaalsContact CD2-CZ 3.47Å; L75-Y80 WeakPolarHBondContact O-CD1 3.46Å; L75-N135 WeakPolarHBondContact CD1-OD1 3.33Å; L75-K137 HydrophobicContact CD1-CB 3.51Å; L75-L138 HydrophobicContact CD1-CB 3.95Å |
| 76 | E | 94.6 | Very high | 94.2 | Very high | 112 Ų | 112 | 75.2 Ų | 75.2 | 52% | 0.523 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -91.9 | -10.8 | 176.2 | -61.8 | -179.4 | 177.5 | 0 | 0 | 111.9 | D73 Y74 K137 | D73-E76 PolarHBondContact O-N 3.19Å; Y74-E76 PolarHBondContact O-N 2.87Å; E76-K137 IonicContact OE1-NZ 2.61Å; E76-K137 PolarHBondContact OE1-NZ 3.45Å |
| 77 | S | 95.8 | Very high | 94.6 | Very high | 17 Ų | 17 | 71.8 Ų | 71.8 | 12% | 0.119 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -69.3 | 150.4 | -179.8 | 75 | 0 | 0 | 0 | 0 | 112.3 | D73 Y74 E79 Y80 I81 | D73-S77 PolarHBondContact O-N 3.24Å; Y74-S77 VanDerWaalsContact O-CB 3.31Å; Y74-S77 WeakPolarHBondContact O-CB 3.25Å; Y74-S77 PolarHBondContact O-N 3.25Å; Y74-S77 VanDerWaalsContact O-N 3.13Å; Y74-S77 PolarHBondContact O-OG 2.98Å; S77-E79 PolarHBondContact O-N 3.3Å; S77-Y80 PolarHBondContact O-N 2.93Å; S77-Y80 PolarHBondContact OG-N 3.16Å; S77-I81 PolarHBondContact O-N 2.96Å |
| 78 | E | 95.6 | Very high | 94.9 | Very high | 155 Ų | 155 | 72.7 Ų | 72.7 | 72% | 0.724 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61 | -30.7 | 172.4 | 60.5 | -176.8 | 178.1 | 0 | 0 | 112.5 | Y80 I81 A82 | E78-Y80 VanDerWaalsContact C-N 3.34Å; E78-Y80 PolarHBondContact O-N 2.92Å; E78-I81 PolarHBondContact O-N 3.12Å; E78-A82 VanDerWaalsContact O-CB 3.32Å; E78-A82 WeakPolarHBondContact O-CB 3.37Å; E78-A82 PolarHBondContact O-N 2.95Å |
| 79 | E | 95.1 | Very high | 95.3 | Very high | 72 Ų | 72 | 65.8 Ų | 65.8 | 34% | 0.336 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 176 | -59.1 | 174 | 175.5 | 0 | 0 | 110.9 | R66 Y67 Y74 S77 L83 | R66-E79 IonicContact NH1-OE1 3.16Å; R66-E79 PolarHBondContact NH1-OE1 3.28Å; R66-E79 VanDerWaalsContact NH1-OE1 3.16Å; Y67-E79 PolarHBondContact OH-OE2 3.24Å; Y74-E79 HydrophobicContact CE2-CB 4.37Å; S77-E79 PolarHBondContact O-N 3.3Å; E79-L83 WeakPolarHBondContact O-CB 3.49Å; E79-L83 VanDerWaalsContact O-CG 3.25Å; E79-L83 WeakPolarHBondContact O-CG 3.33Å; E79-L83 PolarHBondContact O-N 3.24Å |
| 80 | Y | 95.9 | Very high | 95.6 | Very high | 14 Ų | 14 | 61.3 Ų | 61.3 | 6% | 0.055 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.3 | -44.9 | 179.2 | -179.2 | -96.2 | 0 | 0 | 0 | 111.7 | Y74 L75 S77 E78 A82 L83 Y84 V89 Q141 | Y74-Y80 HydrophobicContact CD1-CD2 4.29Å; Y74-Y80 AromaticContact CE1-CD2 3.76Å; Y74-Y80 HydrophobicContact CE1-CD2 3.76Å; Y74-Y80 WeakPolarHBondContact O-CB 3.45Å; L75-Y80 HydrophobicContact CD2-CD1 4.26Å; L75-Y80 HydrophobicContact CD2-CD2 3.8Å; L75-Y80 HydrophobicContact CD2-CE1 3.91Å; L75-Y80 HydrophobicContact CD2-CE2 3.4Å; L75-Y80 VanDerWaalsContact CD2-CE2 3.4Å; L75-Y80 HydrophobicContact CD2-CG 4.21Å; L75-Y80 VanDerWaalsContact CD2-CZ 3.47Å; L75-Y80 WeakPolarHBondContact O-CD1 3.46Å; S77-Y80 PolarHBondContact O-N 2.93Å; S77-Y80 PolarHBondContact OG-N 3.16Å; E78-Y80 VanDerWaalsContact C-N 3.34Å; E78-Y80 PolarHBondContact O-N 2.92Å; Y80-A82 VanDerWaalsContact C-N 3.33Å; Y80-A82 PolarHBondContact O-N 3.25Å; Y80-L83 PolarHBondContact O-N 3.15Å; Y80-Y84 AromaticContact CD2-CD2 3.44Å; Y80-Y84 HydrophobicContact CD2-CD2 3.44Å; Y80-Y84 VanDerWaalsContact CD2-CD2 3.44Å; Y80-Y84 HydrophobicContact CD2-CE2 4Å; Y80-Y84 HydrophobicContact CD2-CG 4.24Å; Y80-Y84 AromaticContact CE2-CD2 3.35Å; Y80-Y84 HydrophobicContact CE2-CD2 3.35Å; Y80-Y84 AromaticContact CE2-CE2 3.9Å; Y80-Y84 HydrophobicContact CE2-CE2 3.9Å; Y80-Y84 AromaticContact CE2-CG 3.78Å; Y80-Y84 HydrophobicContact CE2-CG 3.78Å; Y80-Y84 HydrophobicContact CG-CD2 4.21Å; Y80-Y84 WeakPolarHBondContact O-CB 3.42Å; Y80-Y84 PolarHBondContact O-N 2.9Å; Y80-V89 HydrophobicContact CE2-CG2 3.83Å; Y80-V89 VanDerWaalsContact OH-CG2 3.32Å; Y80-V89 WeakPolarHBondContact OH-CG2 3.32Å; Y80-Q141 PolarHBondContact OH-NE2 2.83Å |
| 81 | I | 96.1 | Very high | 95.7 | Very high | 100 Ų | 100 | 56.9 Ų | 56.9 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | -179.4 | -62.3 | 167.9 | 0 | 0 | 0 | 110.7 | S77 E78 G85 | S77-I81 PolarHBondContact O-N 2.96Å; E78-I81 PolarHBondContact O-N 3.12Å; I81-G85 WeakPolarHBondContact O-CA 3.46Å; I81-G85 PolarHBondContact O-N 3.34Å |
| 82 | A | 96.2 | Very high | 95.7 | Very high | 90 Ų | 90 | 62.1 Ų | 62.1 | 74% | 0.744 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -66 | -36.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E78 Y80 | E78-A82 VanDerWaalsContact O-CB 3.32Å; E78-A82 WeakPolarHBondContact O-CB 3.37Å; E78-A82 PolarHBondContact O-N 2.95Å; Y80-A82 VanDerWaalsContact C-N 3.33Å; Y80-A82 PolarHBondContact O-N 3.25Å |
| 83 | L | 95.8 | Very high | 95.7 | Very high | 115 Ų | 115 | 60.7 Ų | 60.7 | 60% | 0.602 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -80.8 | -44.4 | -177.9 | -70.9 | 173.6 | 0 | 0 | 0 | 113.5 | E79 Y80 | E79-L83 WeakPolarHBondContact O-CB 3.49Å; E79-L83 VanDerWaalsContact O-CG 3.25Å; E79-L83 WeakPolarHBondContact O-CG 3.33Å; E79-L83 PolarHBondContact O-N 3.24Å; Y80-L83 PolarHBondContact O-N 3.15Å |
| 84 | Y | 95.9 | Very high | 95.8 | Very high | 13 Ų | 13 | 68.4 Ų | 68.4 | 5% | 0.051 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -108.2 | -26.2 | -170.7 | -71.4 | -80.4 | 0 | 0 | 0 | 113.6 | Y80 T86 S87 V89 R125 D126 | Y80-Y84 AromaticContact CD2-CD2 3.44Å; Y80-Y84 HydrophobicContact CD2-CD2 3.44Å; Y80-Y84 VanDerWaalsContact CD2-CD2 3.44Å; Y80-Y84 HydrophobicContact CD2-CE2 4Å; Y80-Y84 HydrophobicContact CD2-CG 4.24Å; Y80-Y84 AromaticContact CE2-CD2 3.35Å; Y80-Y84 HydrophobicContact CE2-CD2 3.35Å; Y80-Y84 AromaticContact CE2-CE2 3.9Å; Y80-Y84 HydrophobicContact CE2-CE2 3.9Å; Y80-Y84 AromaticContact CE2-CG 3.78Å; Y80-Y84 HydrophobicContact CE2-CG 3.78Å; Y80-Y84 HydrophobicContact CG-CD2 4.21Å; Y80-Y84 WeakPolarHBondContact O-CB 3.42Å; Y80-Y84 PolarHBondContact O-N 2.9Å; Y84-T86 PolarHBondContact O-N 3.4Å; Y84-S87 PolarHBondContact O-N 3.34Å; Y84-V89 HydrophobicContact CD1-CB 4.46Å; Y84-V89 HydrophobicContact CD1-CG2 4.3Å; Y84-V89 HydrophobicContact CE1-CB 3.99Å; Y84-V89 HydrophobicContact CE1-CG1 3.86Å; Y84-V89 HydrophobicContact CE1-CG2 4.05Å; Y84-V89 WeakPolarHBondContact CE1-O 3.17Å; Y84-R125 PolarHBondContact OH-NE 3.01Å; Y84-R125 PolarHBondContact OH-NH2 2.88Å; Y84-D126 WeakPolarHBondContact CE2-OD2 3.4Å; Y84-D126 VanDerWaalsContact CZ-OD2 3.29Å; Y84-D126 PolarHBondContact OH-OD2 3.09Å |
| 85 | G | 94.4 | Very high | 95.8 | Very high | 37 Ų | 37 | 71 Ų | 71 | 38% | 0.381 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | -126.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I81 | I81-G85 WeakPolarHBondContact O-CA 3.46Å; I81-G85 PolarHBondContact O-N 3.34Å |
| 86 | T | 94.7 | Very high | 95.8 | Very high | 151 Ų | 151 | 76.3 Ų | 76.3 | 93% | 0.926 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -6.2 | 179.4 | 55.1 | 0 | 0 | 0 | 0 | 113.4 | Y84 | Y84-T86 PolarHBondContact O-N 3.4Š|
| 87 | S | 95.6 | Very high | 95.8 | Very high | 49 Ų | 49 | 74.5 Ų | 74.5 | 34% | 0.343 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -79.9 | 149 | -176.1 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | Y84 S91 | Y84-S87 PolarHBondContact O-N 3.34Å; S87-S91 WeakPolarHBondContact CB-OG 3.41Å |
| 88 | P | 96.9 | Very high | 95.9 | Very high | 44 Ų | 44 | 83.4 Ų | 83.4 | 29% | 0.286 | 43% | 0.434 | S | S | . | . | trans | -66.1 | 153.4 | 175 | 29 | -35 | 0 | 0 | 0 | 110.9 | W90 S91 Q141 | P88-W90 HydrophobicContact CG-CZ2 4.36Å; P88-W90 PolarHBondContact O-N 2.81Å; P88-S91 WeakPolarHBondContact O-CB 3.14Å; P88-S91 PolarHBondContact O-N 3.43Å; P88-S91 PolarHBondContact O-OG 2.91Å; P88-S91 VanDerWaalsContact O-OG 3.12Å; P88-Q141 HydrophobicContact CB-CB 4.06Å; P88-Q141 HydrophobicContact CB-CG 4.35Å | ||
| 89 | V | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -30.3 | -174.2 | 169.5 | 0 | 0 | 0 | 0 | 114 | Y80 Y84 P122 R125 L138 Q141 | Y80-V89 HydrophobicContact CE2-CG2 3.83Å; Y80-V89 VanDerWaalsContact OH-CG2 3.32Å; Y80-V89 WeakPolarHBondContact OH-CG2 3.32Å; Y84-V89 HydrophobicContact CD1-CB 4.46Å; Y84-V89 HydrophobicContact CD1-CG2 4.3Å; Y84-V89 HydrophobicContact CE1-CB 3.99Å; Y84-V89 HydrophobicContact CE1-CG1 3.86Å; Y84-V89 HydrophobicContact CE1-CG2 4.05Å; Y84-V89 WeakPolarHBondContact CE1-O 3.17Å; V89-P122 HydrophobicContact CG1-CB 3.86Å; V89-R125 PolarHBondContact O-NH2 3.25Å; V89-L138 HydrophobicContact CG2-CD1 4.15Å; V89-Q141 VanDerWaalsContact CG2-OE1 3.3Å |
| 90 | W | 96.5 | Very high | 95.9 | Very high | 45 Ų | 45 | 79.2 Ų | 79.2 | 17% | 0.17 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 0.6 | -176.3 | 57.8 | -93.1 | 0 | 0 | 0 | 114.7 | P88 D92 Y93 P122 Q141 F142 Y151 T156 | P88-W90 HydrophobicContact CG-CZ2 4.36Å; P88-W90 PolarHBondContact O-N 2.81Å; W90-D92 PolarHBondContact O-N 3.29Å; W90-Y93 WeakPolarHBondContact O-CB 3.04Å; W90-Y93 PolarHBondContact O-N 3.16Å; W90-P122 HydrophobicContact CB-CB 4.06Å; W90-P122 HydrophobicContact CB-CG 3.73Å; W90-Q141 PolarHBondContact NE1-O 3.21Å; W90-F142 AromaticContact CD1-CD1 3.97Å; W90-F142 AromaticContact CD1-CE1 3.62Å; W90-F142 HydrophobicContact CG-CE1 4.38Å; W90-Y151 HydrophobicContact CZ2-CD2 4.05Å; W90-Y151 AromaticContact CZ2-CE2 3.89Å; W90-Y151 HydrophobicContact CZ2-CE2 3.89Å; W90-T156 HydrophobicContact CD2-CG2 4.21Å; W90-T156 HydrophobicContact CG-CG2 4.3Å |
| 91 | S | 96.4 | Very high | 95.9 | Very high | 46 Ų | 46 | 85.1 Ų | 85.1 | 32% | 0.322 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -44.8 | -176 | 61.4 | 0 | 0 | 0 | 0 | 113.2 | S87 P88 Y93 | S87-S91 WeakPolarHBondContact CB-OG 3.41Å; P88-S91 WeakPolarHBondContact O-CB 3.14Å; P88-S91 PolarHBondContact O-N 3.43Å; P88-S91 PolarHBondContact O-OG 2.91Å; P88-S91 VanDerWaalsContact O-OG 3.12Å; S91-Y93 PolarHBondContact O-N 3.22Å |
| 92 | D | 94.6 | Very high | 95.9 | Very high | 111 Ų | 111 | 82.7 Ų | 82.7 | 59% | 0.594 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 6.6 | -171.2 | -59.5 | -9.7 | 0 | 0 | 0 | 111.9 | W90 | W90-D92 PolarHBondContact O-N 3.29Š|
| 93 | Y | 96.6 | Very high | 95.9 | Very high | 32 Ų | 32 | 81.3 Ų | 81.3 | 13% | 0.125 | 46% | 0.457 | C | S | . | . | trans | -91.8 | 124.1 | -176.6 | -176.5 | -106.9 | 0 | 0 | 0 | 112.3 | W90 S91 R95 R107 N119 P120 P122 G157 | W90-Y93 WeakPolarHBondContact O-CB 3.04Å; W90-Y93 PolarHBondContact O-N 3.16Å; S91-Y93 PolarHBondContact O-N 3.22Å; Y93-R95 HydrophobicContact CE1-CB 4.21Å; Y93-R107 PolarHBondContact OH-NH2 3.35Å; Y93-N119 WeakPolarHBondContact CE2-OD1 3.4Å; Y93-P120 WeakPolarHBondContact CE2-O 3.34Å; Y93-P120 PolarHBondContact OH-O 3.24Å; Y93-P122 HydrophobicContact CD1-CG 3.82Å; Y93-P122 HydrophobicContact CD2-CG 4.14Å; Y93-P122 HydrophobicContact CG-CG 3.56Å; Y93-G157 WeakPolarHBondContact CE1-O 3.49Å | ||
| 94 | R | 96.2 | Very high | 95.9 | Very high | 212 Ų | 212 | 82.6 Ų | 82.6 | 80% | 0.8 | 46% | 0.46 | S | S | * | . | trans | -123.9 | 128 | 172.8 | -169.9 | 173.4 | 179.7 | 140.1 | -0.4 | 111.5 | N119 | R94-N119 PolarHBondContact O-ND2 3.41Å; R94-N119 VanDerWaalsContact O-ND2 3.13Å | ||
| 95 | R | 95.7 | Very high | 95.9 | Very high | 60 Ų | 60 | 89.7 Ų | 89.7 | 23% | 0.226 | 49% | 0.491 | C | S | . | . | trans | -88.1 | 130.8 | -179.4 | -172.7 | 177.7 | 174.5 | -157.7 | 0.6 | 112 | Y93 H97 K105 | Y93-R95 HydrophobicContact CE1-CB 4.21Å; R95-H97 PolarHBondContact O-N 3.23Å; R95-H97 PolarHBondContact O-ND1 3.36Å; R95-K105 PolarHBondContact NH1-O 2.88Å | ||
| 96 | N | 95.8 | Very high | 96 | Very high | 128 Ų | 128 | 88.5 Ų | 88.5 | 68% | 0.684 | 48% | 0.476 | S | S | * | . | trans | -77.1 | 120.4 | 171.9 | -59.5 | -19.1 | 0 | 0 | 0 | 109.9 | N119 | N96-N119 PolarHBondContact ND2-ND2 3.02Š| ||
| 97 | H | 95.2 | Very high | 96.1 | Very high | 74 Ų | 74 | 84.3 Ų | 84.3 | 34% | 0.343 | 44% | 0.443 | S | S | . | . | trans | -148.8 | 161.8 | 176.6 | 59.5 | -81.3 | 0 | 0 | 0 | 109.8 | R95 P102 | R95-H97 PolarHBondContact O-N 3.23Å; R95-H97 PolarHBondContact O-ND1 3.36Å; H97-P102 WeakPolarHBondContact CD2-CA 3.36Å | ||
| 98 | K | 96.5 | Very high | 96.2 | Very high | 203 Ų | 203 | 90.5 Ų | 90.5 | 88% | 0.883 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -82.9 | 132.5 | -179.3 | -175.1 | 178.9 | -179.7 | -178.5 | 0 | 110.3 | ||
| 99 | G | 96.1 | Very high | 96.2 | Very high | 62 Ų | 62 | 90.4 Ų | 90.4 | 64% | 0.639 | 46% | 0.463 | S | S | * | . | S | Bend | trans | 79 | -174.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 100 | G | 96.1 | Very high | 96.1 | Very high | 77 Ų | 77 | 90.5 Ų | 90.5 | 79% | 0.794 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -84 | -20.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 101 | I | 95.8 | Very high | 96.1 | Very high | 138 Ų | 138 | 92.1 Ų | 92.1 | 71% | 0.708 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -103.9 | 120.3 | -178.2 | -58.9 | 175.4 | 0 | 0 | 0 | 108.9 | ||
| 102 | P | 96.5 | Very high | 96.1 | Very high | 49 Ų | 49 | 98.8 Ų | 98.8 | 32% | 0.318 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 154.4 | 176.9 | 28.5 | -34 | 0 | 0 | 0 | 111.8 | H97 Q104 | H97-P102 WeakPolarHBondContact CD2-CA 3.36Å; P102-Q104 PolarHBondContact O-N 3.31Å |
| 103 | P | 96.4 | Very high | 96 | Very high | 61 Ų | 61 | 96.5 Ų | 96.5 | 40% | 0.396 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 138.4 | 170.4 | 27.6 | -33.5 | 0 | 0 | 0 | 109.9 | K105 | P103-K105 PolarHBondContact O-N 3.16Š|
| 104 | Q | 94.8 | Very high | 95.8 | Very high | 143 Ų | 143 | 103 Ų | 103 | 67% | 0.668 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -61.6 | -17.3 | -175.9 | -64.3 | -57.7 | -49.3 | 0 | 0 | 114.2 | P102 T154 | P102-Q104 PolarHBondContact O-N 3.31Å; Q104-T154 WeakPolarHBondContact O-CG2 3.46Å |
| 105 | K | 95.9 | Very high | 95.7 | Very high | 162 Ų | 162 | 101.1 Ų | 101.1 | 70% | 0.704 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -118.5 | 139.9 | 173.4 | -66 | -175.8 | 178.7 | -179.8 | 0 | 110.4 | R95 P103 | R95-K105 PolarHBondContact NH1-O 2.88Å; P103-K105 PolarHBondContact O-N 3.16Å |
| 106 | T | 96.8 | Very high | 95.7 | Very high | 11 Ų | 11 | 103.3 Ų | 103.3 | 7% | 0.067 | 55% | 0.545 | C | S | . | . | trans | -76.9 | 168.4 | 169.1 | 67.9 | 0 | 0 | 0 | 0 | 111.5 | S153 V158 Q160 | T106-S153 WeakPolarHBondContact CG2-O 3.17Å; T106-V158 VanDerWaalsContact CB-O 3.24Å; T106-V158 WeakPolarHBondContact CB-O 3.18Å; T106-V158 WeakPolarHBondContact CG2-O 2.93Å; T106-V158 PolarHBondContact OG1-O 3.42Å; T106-Q160 WeakPolarHBondContact O-CG 3.41Å; T106-Q160 PolarHBondContact OG1-NE2 2.64Å | ||
| 107 | R | 96 | Very high | 95.5 | Very high | 64 Ų | 64 | 99 Ų | 99 | 24% | 0.242 | 53% | 0.525 | C | S | . | . | trans | -60 | 151.8 | 175.9 | 63.7 | -175.8 | 161.8 | -153.6 | -10.5 | 111 | Y93 C110 C117 N119 C121 C159 Q160 | Y93-R107 PolarHBondContact OH-NH2 3.35Å; R107-C110 PolarHBondContact NE-SG 3.36Å; R107-C110 PolarHBondContact NH2-SG 3.14Å; R107-C117 VanDerWaalsContact CZ-SG 3.54Å; R107-C117 PolarHBondContact NH1-SG 2.46Å; R107-N119 PolarHBondContact NH1-O 2.89Å; R107-N119 PolarHBondContact NH2-O 2.96Å; R107-C121 VanDerWaalsContact NH2-N 3.17Å; R107-C159 HydrophobicContact CG-CB 4.07Å; R107-C159 WeakPolarHBondContact O-CA 3.38Å; R107-C159 WeakPolarHBondContact O-CB 3.26Å; R107-Q160 PolarHBondContact O-N 3.39Å | ||
| 108 | K | 97.2 | Very high | 95.5 | Very high | 178 Ų | 178 | 99.8 Ų | 99.8 | 77% | 0.774 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -58.4 | -55.5 | -179.9 | -65.2 | -175.4 | 179.4 | -178.5 | 0 | 112.4 | Q160 K161 | K108-Q160 PolarHBondContact O-N 3.16Å; K108-K161 PolarHBondContact O-N 3.49Å |
| 109 | T | 97.4 | Very high | 95.5 | Very high | 42 Ų | 42 | 92.5 Ų | 92.5 | 26% | 0.258 | 52% | 0.523 | S | S | . | . | trans | -141.9 | 150.5 | -179.9 | 60.7 | 0 | 0 | 0 | 0 | 110.9 | I111 K161 | T109-I111 PolarHBondContact OG1-O 3.23Å; T109-K161 HydrophobicContact CG2-CB 3.78Å; T109-K161 HydrophobicContact CG2-CD 3.75Å; T109-K161 HydrophobicContact CG2-CG 4.36Å | ||
| 110 | C | 96.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 90.7 Ų | 90.7 | 2% | 0.02 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -88.2 | -37 | 170.4 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | R107 C117 P120 C121 C124 C159 | R107-C110 PolarHBondContact NE-SG 3.36Å; R107-C110 PolarHBondContact NH2-SG 3.14Å; C110-C117 VanDerWaalsContact CB-SG 3.6Å; C110-C117 PolarHBondContact O-N 3.14Å; C110-C117 VanDerWaalsContact O-N 3.09Å; C110-C117 PolarHBondContact O-SG 2.82Å; C110-C117 VanDerWaalsContact O-SG 3.35Å; C110-P120 HydrophobicContact CB-CB 4.48Å; C110-C121 WeakPolarHBondContact SG-CB 3.46Å; C110-C121 PolarHBondContact SG-N 2.99Å; C110-C121 VanDerWaalsContact SG-N 3.38Å; C110-C124 HydrophobicContact CB-CB 3.72Å; C110-C124 VanDerWaalsContact CB-SG 3.54Å; C110-C124 PolarHBondContact SG-SG 3.25Å; C110-C159 VanDerWaalsContact SG-CB 3.59Å |
| 111 | I | 96.1 | Very high | 95.6 | Very high | 78 Ų | 78 | 87 Ų | 87 | 40% | 0.4 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127.6 | -177.1 | -53.6 | 171.9 | 0 | 0 | 0 | 107.6 | T109 G113 I116 | T109-I111 PolarHBondContact OG1-O 3.23Å; I111-G113 VanDerWaalsContact CG2-O 3.22Å; I111-G113 WeakPolarHBondContact CG2-O 3.36Å; I111-I116 HydrophobicContact CG1-CG1 4.46Å |
| 112 | R | 95.6 | Very high | 95.6 | Very high | 187 Ų | 187 | 80.5 Ų | 80.5 | 71% | 0.706 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 97.9 | 178.2 | -64.2 | -178.7 | -174.1 | 161.6 | 0.2 | 108.4 | D114 K115 | R112-D114 PolarHBondContact O-N 2.91Å; R112-K115 PolarHBondContact N-O 3.23Å; R112-K115 PolarHBondContact O-N 3.4Å |
| 113 | G | 92.6 | Very high | 95.6 | Very high | 63 Ų | 63 | 78.5 Ų | 78.5 | 65% | 0.649 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | -130.5 | -165.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | I111 K115 | I111-G113 VanDerWaalsContact CG2-O 3.22Å; I111-G113 WeakPolarHBondContact CG2-O 3.36Å; G113-K115 VanDerWaalsContact C-N 3.3Å; G113-K115 PolarHBondContact O-N 3.33Å |
| 114 | D | 91.6 | Very high | 95.6 | Very high | 168 Ų | 168 | 76.1 Ų | 76.1 | 90% | 0.898 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -3.8 | -179.2 | -50.3 | -42.1 | 0 | 0 | 0 | 113.6 | R112 | R112-D114 PolarHBondContact O-N 2.91Š|
| 115 | K | 94.5 | Very high | 95.6 | Very high | 173 Ų | 173 | 73.7 Ų | 73.7 | 75% | 0.752 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 122.3 | -175.4 | -63.8 | -178.9 | -176.9 | 178.4 | 0 | 111.3 | R112 G113 | R112-K115 PolarHBondContact N-O 3.23Å; R112-K115 PolarHBondContact O-N 3.4Å; G113-K115 VanDerWaalsContact C-N 3.3Å; G113-K115 PolarHBondContact O-N 3.33Å |
| 116 | I | 95.3 | Very high | 95.5 | Very high | 105 Ų | 105 | 67.7 Ų | 67.7 | 54% | 0.538 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 135.5 | 171.7 | -52.7 | 177.5 | 0 | 0 | 0 | 108.8 | I111 P120 | I111-I116 HydrophobicContact CG1-CG1 4.46Å; I116-P120 HydrophobicContact CG2-CB 3.8Å; I116-P120 HydrophobicContact CG2-CG 3.98Å |
| 117 | C | 93.3 | Very high | 95.2 | Very high | 39 Ų | 39 | 70.5 Ų | 70.5 | 26% | 0.264 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 150 | 173.8 | 61.8 | 0 | 0 | 0 | 0 | 112.1 | R107 C110 N119 P120 | R107-C117 VanDerWaalsContact CZ-SG 3.54Å; R107-C117 PolarHBondContact NH1-SG 2.46Å; C110-C117 VanDerWaalsContact CB-SG 3.6Å; C110-C117 PolarHBondContact O-N 3.14Å; C110-C117 VanDerWaalsContact O-N 3.09Å; C110-C117 PolarHBondContact O-SG 2.82Å; C110-C117 VanDerWaalsContact O-SG 3.35Å; C117-N119 PolarHBondContact O-N 3.35Å; C117-P120 VanDerWaalsContact O-CD 3.27Å; C117-P120 WeakPolarHBondContact O-CD 3.44Å; C117-P120 VanDerWaalsContact SG-CA 3.56Å |
| 118 | G | 94.6 | Very high | 95.1 | Very high | 90 Ų | 90 | 69.1 Ų | 69.1 | 93% | 0.928 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -60.6 | -32.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | P120 | G118-P120 WeakPolarHBondContact O-CD 3.49Š|
| 119 | N | 95.9 | Very high | 95 | Very high | 49 Ų | 49 | 61 Ų | 61 | 26% | 0.262 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -117.2 | 81.3 | 170.8 | -179.5 | -0.9 | 0 | 0 | 0 | 108.5 | Y93 R94 N96 R107 C117 | Y93-N119 WeakPolarHBondContact CE2-OD1 3.4Å; R94-N119 PolarHBondContact O-ND2 3.41Å; R94-N119 VanDerWaalsContact O-ND2 3.13Å; N96-N119 PolarHBondContact ND2-ND2 3.02Å; R107-N119 PolarHBondContact NH1-O 2.89Å; R107-N119 PolarHBondContact NH2-O 2.96Å; C117-N119 PolarHBondContact O-N 3.35Å |
| 120 | P | 97 | Very high | 95 | Very high | 25 Ų | 25 | 61.4 Ų | 61.4 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | trans | -69.6 | 168.3 | -176 | 23.2 | -24.2 | 0 | 0 | 0 | 113 | Y93 C110 I116 C117 G118 C124 R125 | Y93-P120 WeakPolarHBondContact CE2-O 3.34Å; Y93-P120 PolarHBondContact OH-O 3.24Å; C110-P120 HydrophobicContact CB-CB 4.48Å; I116-P120 HydrophobicContact CG2-CB 3.8Å; I116-P120 HydrophobicContact CG2-CG 3.98Å; C117-P120 VanDerWaalsContact O-CD 3.27Å; C117-P120 WeakPolarHBondContact O-CD 3.44Å; C117-P120 VanDerWaalsContact SG-CA 3.56Å; G118-P120 WeakPolarHBondContact O-CD 3.49Å; P120-C124 HydrophobicContact CB-CB 4.18Å; P120-R125 HydrophobicContact CB-CB 4.34Å; P120-R125 HydrophobicContact CG-CB 3.84Å | ||
| 121 | C | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | trans | -74.3 | 161.6 | 179.5 | 84.2 | 0 | 0 | 0 | 0 | 111.2 | R107 C110 I123 C124 R125 | R107-C121 VanDerWaalsContact NH2-N 3.17Å; C110-C121 WeakPolarHBondContact SG-CB 3.46Å; C110-C121 PolarHBondContact SG-N 2.99Å; C110-C121 VanDerWaalsContact SG-N 3.38Å; C121-I123 PolarHBondContact O-N 3.38Å; C121-I123 VanDerWaalsContact O-N 3.12Å; C121-C124 HydrophobicContact CB-CB 4.07Å; C121-C124 WeakPolarHBondContact CB-SG 3.2Å; C121-C124 CarbonylContact O-C 3.39Å; C121-C124 PolarHBondContact O-N 3.32Å; C121-C124 WeakPolarHBondContact SG-CB 3.42Å; C121-C124 PolarHBondContact SG-N 2.96Å; C121-C124 CovalentContact SG-SG 2.08Å; C121-C124 PolarHBondContact SG-SG 3.13Å; C121-R125 WeakPolarHBondContact O-CG 3.42Å; C121-R125 PolarHBondContact O-N 3.25Å | ||
| 122 | P | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -52.7 | -37.3 | 179.6 | -24.7 | 31.1 | 0 | 0 | 0 | 114.2 | V89 W90 Y93 R125 | V89-P122 HydrophobicContact CG1-CB 3.86Å; W90-P122 HydrophobicContact CB-CB 4.06Å; W90-P122 HydrophobicContact CB-CG 3.73Å; Y93-P122 HydrophobicContact CD1-CG 3.82Å; Y93-P122 HydrophobicContact CD2-CG 4.14Å; Y93-P122 HydrophobicContact CG-CG 3.56Å; P122-R125 WeakPolarHBondContact O-CG 3.29Å |
| 123 | I | 96.8 | Very high | 95.1 | Very high | 8 Ų | 8 | 55.7 Ų | 55.7 | 4% | 0.041 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -79.9 | -29.5 | 177.5 | -58.5 | 174.5 | 0 | 0 | 0 | 111.7 | C121 D126 V129 I131 F142 V158 Q162 L166 | C121-I123 PolarHBondContact O-N 3.38Å; C121-I123 VanDerWaalsContact O-N 3.12Å; I123-D126 VanDerWaalsContact O-O 3.12Å; I123-V129 HydrophobicContact CG2-CG1 4.4Å; I123-I131 HydrophobicContact CD1-CD1 4.02Å; I123-I131 HydrophobicContact CD1-CG1 4.31Å; I123-I131 HydrophobicContact CG2-CD1 4.15Å; I123-I131 HydrophobicContact CG2-CG1 4.08Å; I123-F142 HydrophobicContact CD1-CE1 4.11Å; I123-F142 HydrophobicContact CD1-CE2 4.24Å; I123-F142 HydrophobicContact CD1-CZ 3.66Å; I123-F142 HydrophobicContact CG1-CZ 3.87Å; I123-V158 HydrophobicContact CD1-CG1 3.81Å; I123-V158 HydrophobicContact CG1-CG1 4.22Å; I123-Q162 HydrophobicContact CD1-CB 4.41Å; I123-Q162 HydrophobicContact CG2-CG 4.45Å; I123-L166 HydrophobicContact CD1-CD1 3.81Å; I123-L166 HydrophobicContact CD1-CD2 4.19Å; I123-L166 HydrophobicContact CD1-CG 4.12Å |
| 124 | C | 95.9 | Very high | 95.3 | Very high | 10 Ų | 10 | 56.6 Ų | 56.6 | 7% | 0.068 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -89.5 | -17.5 | -172.4 | -45.9 | 0 | 0 | 0 | 0 | 112.8 | C110 P120 C121 | C110-C124 HydrophobicContact CB-CB 3.72Å; C110-C124 VanDerWaalsContact CB-SG 3.54Å; C110-C124 PolarHBondContact SG-SG 3.25Å; P120-C124 HydrophobicContact CB-CB 4.18Å; C121-C124 HydrophobicContact CB-CB 4.07Å; C121-C124 WeakPolarHBondContact CB-SG 3.2Å; C121-C124 CarbonylContact O-C 3.39Å; C121-C124 PolarHBondContact O-N 3.32Å; C121-C124 WeakPolarHBondContact SG-CB 3.42Å; C121-C124 PolarHBondContact SG-N 2.96Å; C121-C124 CovalentContact SG-SG 2.08Å; C121-C124 PolarHBondContact SG-SG 3.13Å |
| 125 | R | 94.6 | Very high | 95.6 | Very high | 92 Ų | 92 | 48.8 Ų | 48.8 | 35% | 0.347 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -74.9 | -34.9 | 177.6 | 57.8 | 162.7 | -176.1 | -159.4 | 6.6 | 111.4 | Y84 V89 P120 C121 P122 | Y84-R125 PolarHBondContact OH-NE 3.01Å; Y84-R125 PolarHBondContact OH-NH2 2.88Å; V89-R125 PolarHBondContact O-NH2 3.25Å; P120-R125 HydrophobicContact CB-CB 4.34Å; P120-R125 HydrophobicContact CG-CB 3.84Å; C121-R125 WeakPolarHBondContact O-CG 3.42Å; C121-R125 PolarHBondContact O-N 3.25Å; P122-R125 WeakPolarHBondContact O-CG 3.29Å |
| 126 | D | 93.8 | Very high | 95.7 | Very high | 37 Ų | 37 | 42.5 Ų | 42.5 | 20% | 0.198 | 24% | 0.243 | C | C | . | . | trans | -114.2 | 111.6 | -174.8 | -64.3 | 6.3 | 0 | 0 | 0 | 108.5 | Y84 I123 N128 V129 | Y84-D126 WeakPolarHBondContact CE2-OD2 3.4Å; Y84-D126 VanDerWaalsContact CZ-OD2 3.29Å; Y84-D126 PolarHBondContact OH-OD2 3.09Å; I123-D126 VanDerWaalsContact O-O 3.12Å; D126-N128 PolarHBondContact O-N 3.13Å; D126-V129 HydrophobicContact CB-CG2 3.9Å; D126-V129 PolarHBondContact O-N 3.43Å | ||
| 127 | S | 91.5 | Very high | 95.7 | Very high | 70 Ų | 70 | 42.6 Ų | 42.6 | 49% | 0.49 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.1 | -179.8 | 48.4 | 0 | 0 | 0 | 0 | 113.5 | V129 | S127-V129 VanDerWaalsContact C-N 3.29Å; S127-V129 PolarHBondContact O-N 3.38Å |
| 128 | N | 93.9 | Very high | 95.9 | Very high | 34 Ų | 34 | 40.8 Ų | 40.8 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -19.3 | -177.3 | -59.4 | -7.8 | 0 | 0 | 0 | 112 | Y67 Y74 D126 I130 | Y67-N128 HydrophobicContact CD2-CB 4.17Å; Y74-N128 HydrophobicContact CD1-CB 3.75Å; Y74-N128 HydrophobicContact CD2-CB 3.78Å; Y74-N128 HydrophobicContact CE1-CB 3.63Å; Y74-N128 HydrophobicContact CE2-CB 3.66Å; Y74-N128 HydrophobicContact CG-CB 3.83Å; D126-N128 PolarHBondContact O-N 3.13Å; N128-I130 VanDerWaalsContact C-N 3.34Å; N128-I130 PolarHBondContact O-N 3.1Å |
| 129 | V | 95.1 | Very high | 96.1 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | trans | -81.5 | 82.7 | 175.8 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | Y74 I123 D126 S127 L138 | Y74-V129 HydrophobicContact CD1-CG2 4.41Å; Y74-V129 HydrophobicContact CE1-CG2 3.79Å; I123-V129 HydrophobicContact CG2-CG1 4.4Å; D126-V129 HydrophobicContact CB-CG2 3.9Å; D126-V129 PolarHBondContact O-N 3.43Å; S127-V129 VanDerWaalsContact C-N 3.29Å; S127-V129 PolarHBondContact O-N 3.38Å; V129-L138 HydrophobicContact CG1-CD1 3.7Å; V129-L138 HydrophobicContact CG1-CD2 3.83Å; V129-L138 HydrophobicContact CG1-CG 4.43Å | ||
| 130 | I | 95.7 | Very high | 96.2 | Very high | 51 Ų | 51 | 40 Ų | 40 | 26% | 0.262 | 20% | 0.198 | S | C | . | . | trans | -93.8 | 126.3 | -179.1 | -57.6 | 168.9 | 0 | 0 | 0 | 109.7 | P71 N128 N132 | P71-I130 HydrophobicContact CB-CB 4.02Å; P71-I130 HydrophobicContact CG-CB 4.03Å; P71-I130 HydrophobicContact CG-CD1 4.49Å; P71-I130 HydrophobicContact CG-CG2 4.05Å; N128-I130 VanDerWaalsContact C-N 3.34Å; N128-I130 PolarHBondContact O-N 3.1Å; I130-N132 PolarHBondContact O-N 3.48Å | ||
| 131 | I | 97.2 | Very high | 96.2 | Very high | 32 Ų | 32 | 40.8 Ų | 40.8 | 16% | 0.164 | 20% | 0.2 | C | C | . | . | trans | -73.9 | 114.5 | 174.3 | -57.4 | 170.7 | 0 | 0 | 0 | 108.8 | I123 L139 Q162 Q165 L166 A169 | I123-I131 HydrophobicContact CD1-CD1 4.02Å; I123-I131 HydrophobicContact CD1-CG1 4.31Å; I123-I131 HydrophobicContact CG2-CD1 4.15Å; I123-I131 HydrophobicContact CG2-CG1 4.08Å; I131-L139 HydrophobicContact CG2-CD2 4.39Å; I131-Q162 HydrophobicContact CD1-CB 4.3Å; I131-Q165 HydrophobicContact CD1-CB 3.96Å; I131-L166 HydrophobicContact CD1-CD2 3.86Å; I131-L166 HydrophobicContact CD1-CG 3.79Å; I131-L166 HydrophobicContact CG1-CD2 3.93Å; I131-L166 HydrophobicContact CG1-CG 4.43Å; I131-L166 HydrophobicContact CG2-CD2 4.02Å; I131-A169 HydrophobicContact CG2-CB 3.68Å | ||
| 132 | N | 97 | Very high | 96.2 | Very high | 35 Ų | 35 | 40.8 Ų | 40.8 | 19% | 0.187 | 20% | 0.2 | C | C | . | . | trans | -137.6 | 145.5 | 172.8 | -169.8 | -31.9 | 0 | 0 | 0 | 108.7 | P71 I130 Q134 N135 | P71-N132 HydrophobicContact CG-CB 4.18Å; I130-N132 PolarHBondContact O-N 3.48Å; N132-Q134 PolarHBondContact O-N 3.4Å; N132-Q134 PolarHBondContact OD1-N 3.25Å; N132-Q134 VanDerWaalsContact OD1-N 3.09Å; N132-N135 HydrophobicContact CB-CB 4.47Å; N132-N135 PolarHBondContact O-N 3.04Å; N132-N135 VanDerWaalsContact O-N 3.15Å | ||
| 133 | Y | 97.9 | Very high | 96.3 | Very high | 80 Ų | 80 | 41.8 Ų | 41.8 | 31% | 0.314 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -28 | 177.9 | 68.7 | -88.3 | 0 | 0 | 0 | 112.4 | N135 A169 T172 A173 H176 L178 | Y133-N135 VanDerWaalsContact C-N 3.27Å; Y133-N135 PolarHBondContact O-N 2.99Å; Y133-A169 WeakPolarHBondContact CB-O 3.43Å; Y133-T172 HydrophobicContact CD1-CG2 4.27Å; Y133-T172 HydrophobicContact CD2-CG2 4.23Å; Y133-T172 HydrophobicContact CG-CG2 3.92Å; Y133-A173 WeakPolarHBondContact O-CB 3.32Å; Y133-H176 AromaticContact CD2-CD2 3.85Å; Y133-H176 AromaticContact CE2-CD2 3.87Å; Y133-L178 HydrophobicContact CD2-CD1 4.06Å; Y133-L178 HydrophobicContact CE2-CD1 4.49Å |
| 134 | Q | 96.9 | Very high | 96.2 | Very high | 82 Ų | 82 | 42 Ų | 42 | 38% | 0.383 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -21.4 | 176.8 | -62.2 | 178.9 | -18.3 | 0 | 0 | 112.4 | W72 N132 V136 | W72-Q134 HydrophobicContact CE3-CB 3.94Å; W72-Q134 HydrophobicContact CZ3-CB 3.69Å; W72-Q134 HydrophobicContact CZ3-CG 4.42Å; N132-Q134 PolarHBondContact O-N 3.4Å; N132-Q134 PolarHBondContact OD1-N 3.25Å; N132-Q134 VanDerWaalsContact OD1-N 3.09Å; Q134-V136 VanDerWaalsContact C-N 3.3Å; Q134-V136 PolarHBondContact O-N 3.4Å |
| 135 | N | 96.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | trans | -84.4 | 71.4 | -176.6 | -164.7 | -9.3 | 0 | 0 | 0 | 111.8 | P71 L75 N132 Y133 K137 L138 L139 | P71-N135 PolarHBondContact O-ND2 2.92Å; L75-N135 WeakPolarHBondContact CD1-OD1 3.33Å; N132-N135 HydrophobicContact CB-CB 4.47Å; N132-N135 PolarHBondContact O-N 3.04Å; N132-N135 VanDerWaalsContact O-N 3.15Å; Y133-N135 VanDerWaalsContact C-N 3.27Å; Y133-N135 PolarHBondContact O-N 2.99Å; N135-K137 VanDerWaalsContact C-N 3.31Å; N135-K137 PolarHBondContact O-N 2.85Å; N135-L138 HydrophobicContact CB-CB 4.31Å; N135-L138 PolarHBondContact O-N 2.96Å; N135-L138 PolarHBondContact OD1-N 3.31Å; N135-L139 WeakPolarHBondContact O-CG 3.44Å; N135-L139 PolarHBondContact O-N 3.3Å; N135-L139 VanDerWaalsContact O-N 3.14Å | ||
| 136 | V | 96.8 | Very high | 96.2 | Very high | 41 Ų | 41 | 49.8 Ų | 49.8 | 25% | 0.248 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.8 | -41.9 | -177.1 | 174.6 | 0 | 0 | 0 | 0 | 112 | Q134 L138 L139 Q140 L178 L179 | Q134-V136 VanDerWaalsContact C-N 3.3Å; Q134-V136 PolarHBondContact O-N 3.4Å; V136-L138 VanDerWaalsContact C-N 3.32Å; V136-L138 PolarHBondContact O-N 3.46Å; V136-L139 PolarHBondContact O-N 3.09Å; V136-Q140 WeakPolarHBondContact O-CB 3.32Å; V136-Q140 PolarHBondContact O-N 3.36Å; V136-L178 HydrophobicContact CG2-CB 3.91Å; V136-L179 HydrophobicContact CG1-CD2 3.76Å |
| 137 | K | 96.4 | Very high | 96.2 | Very high | 108 Ų | 108 | 52.6 Ų | 52.6 | 47% | 0.47 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.4 | -40 | -179.8 | -70.3 | 178.8 | 178.2 | 176.6 | 0 | 112.1 | L75 E76 N135 Q141 | L75-K137 HydrophobicContact CD1-CB 3.51Å; E76-K137 IonicContact OE1-NZ 2.61Å; E76-K137 PolarHBondContact OE1-NZ 3.45Å; N135-K137 VanDerWaalsContact C-N 3.31Å; N135-K137 PolarHBondContact O-N 2.85Å; K137-Q141 WeakPolarHBondContact O-CG 2.89Å |
| 138 | L | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.9 | -51.1 | 174.6 | -176.1 | 62.2 | 0 | 0 | 0 | 111.2 | L75 V89 V129 N135 V136 Q140 Q141 F142 | L75-L138 HydrophobicContact CD1-CB 3.95Å; V89-L138 HydrophobicContact CG2-CD1 4.15Å; V129-L138 HydrophobicContact CG1-CD1 3.7Å; V129-L138 HydrophobicContact CG1-CD2 3.83Å; V129-L138 HydrophobicContact CG1-CG 4.43Å; N135-L138 HydrophobicContact CB-CB 4.31Å; N135-L138 PolarHBondContact O-N 2.96Å; N135-L138 PolarHBondContact OD1-N 3.31Å; V136-L138 VanDerWaalsContact C-N 3.32Å; V136-L138 PolarHBondContact O-N 3.46Å; L138-Q140 VanDerWaalsContact C-N 3.28Å; L138-Q140 PolarHBondContact O-N 3.29Å; L138-Q141 WeakPolarHBondContact O-CB 3.48Å; L138-Q141 PolarHBondContact O-N 3.15Å; L138-Q141 VanDerWaalsContact O-N 3.14Å; L138-F142 HydrophobicContact CD1-CE2 3.93Å; L138-F142 HydrophobicContact CG-CE2 4.15Å; L138-F142 WeakPolarHBondContact O-CD2 3.48Å |
| 139 | L | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.4 | -37 | -173.4 | -65.4 | -177.1 | 0 | 0 | 0 | 112.1 | I131 N135 V136 Q141 F142 L166 A169 I170 A173 L179 | I131-L139 HydrophobicContact CG2-CD2 4.39Å; N135-L139 WeakPolarHBondContact O-CG 3.44Å; N135-L139 PolarHBondContact O-N 3.3Å; N135-L139 VanDerWaalsContact O-N 3.14Å; V136-L139 PolarHBondContact O-N 3.09Å; L139-Q141 PolarHBondContact O-N 3.24Å; L139-F142 PolarHBondContact O-N 3.04Å; L139-L166 HydrophobicContact CD2-CD2 3.91Å; L139-A169 HydrophobicContact CD1-CB 4.37Å; L139-A169 HydrophobicContact CD2-CB 4.24Å; L139-I170 HydrophobicContact CB-CG1 4.18Å; L139-I170 HydrophobicContact CD1-CG1 4.18Å; L139-I170 HydrophobicContact CD2-CG1 3.97Å; L139-I170 HydrophobicContact CG-CG1 4.33Å; L139-A173 HydrophobicContact CD1-CB 4.08Å; L139-L179 HydrophobicContact CB-CD1 4.11Å; L139-L179 HydrophobicContact CD1-CD1 4.08Å |
| 140 | Q | 97.2 | Very high | 96.6 | Very high | 122 Ų | 122 | 55.4 Ų | 55.4 | 57% | 0.57 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60 | -30.3 | 178.3 | -168.3 | 172.5 | 8.2 | 0 | 0 | 112.6 | V136 L138 F142 I143 | V136-Q140 WeakPolarHBondContact O-CB 3.32Å; V136-Q140 PolarHBondContact O-N 3.36Å; L138-Q140 VanDerWaalsContact C-N 3.28Å; L138-Q140 PolarHBondContact O-N 3.29Å; Q140-F142 PolarHBondContact O-N 3.01Å; Q140-I143 PolarHBondContact O-N 3.49Å; Q140-I143 VanDerWaalsContact O-N 3.16Å; Q140-I143 VanDerWaalsContact O-O 3.14Å |
| 141 | Q | 97.1 | Very high | 96.7 | Very high | 41 Ų | 41 | 54.6 Ų | 54.6 | 19% | 0.192 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -22.4 | 176.4 | -57.4 | 177.8 | 11.7 | 0 | 0 | 113.4 | Y80 P88 V89 W90 K137 L138 L139 | Y80-Q141 PolarHBondContact OH-NE2 2.83Å; P88-Q141 HydrophobicContact CB-CB 4.06Å; P88-Q141 HydrophobicContact CB-CG 4.35Å; V89-Q141 VanDerWaalsContact CG2-OE1 3.3Å; W90-Q141 PolarHBondContact NE1-O 3.21Å; K137-Q141 WeakPolarHBondContact O-CG 2.89Å; L138-Q141 WeakPolarHBondContact O-CB 3.48Å; L138-Q141 PolarHBondContact O-N 3.15Å; L138-Q141 VanDerWaalsContact O-N 3.14Å; L139-Q141 PolarHBondContact O-N 3.24Å |
| 142 | F | 97.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 0.3 | 178.4 | -64.7 | -81.6 | 0 | 0 | 0 | 112.7 | W90 I123 L138 L139 Q140 Y151 T156 V158 L166 | W90-F142 AromaticContact CD1-CD1 3.97Å; W90-F142 AromaticContact CD1-CE1 3.62Å; W90-F142 HydrophobicContact CG-CE1 4.38Å; I123-F142 HydrophobicContact CD1-CE1 4.11Å; I123-F142 HydrophobicContact CD1-CE2 4.24Å; I123-F142 HydrophobicContact CD1-CZ 3.66Å; I123-F142 HydrophobicContact CG1-CZ 3.87Å; L138-F142 HydrophobicContact CD1-CE2 3.93Å; L138-F142 HydrophobicContact CG-CE2 4.15Å; L138-F142 WeakPolarHBondContact O-CD2 3.48Å; L139-F142 PolarHBondContact O-N 3.04Å; Q140-F142 PolarHBondContact O-N 3.01Å; F142-Y151 WeakPolarHBondContact O-CD2 3.42Å; F142-Y151 PolarHBondContact O-N 2.97Å; F142-T156 HydrophobicContact CD1-CG2 3.92Å; F142-T156 HydrophobicContact CE1-CG2 4.4Å; F142-V158 HydrophobicContact CE1-CG1 3.93Å; F142-L166 HydrophobicContact CB-CD1 4.42Å; F142-L166 HydrophobicContact CD1-CD1 3.72Å; F142-L166 HydrophobicContact CD2-CD1 4.25Å; F142-L166 HydrophobicContact CD2-CD2 3.93Å; F142-L166 HydrophobicContact CE1-CD1 4.02Å; F142-L166 HydrophobicContact CE2-CD2 4.2Å; F142-L166 HydrophobicContact CG-CD1 3.86Å; F142-L166 HydrophobicContact CG-CD2 4.28Å; F142-L166 HydrophobicContact CZ-CD1 4.41Å |
| 143 | I | 97.8 | Very high | 96.7 | Very high | 20 Ų | 20 | 55.3 Ų | 55.3 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -110.9 | 141.6 | 179.6 | -60.8 | 169.5 | 0 | 0 | 0 | 108.8 | Q140 V150 I170 L179 | Q140-I143 PolarHBondContact O-N 3.49Å; Q140-I143 VanDerWaalsContact O-N 3.16Å; Q140-I143 VanDerWaalsContact O-O 3.14Å; I143-V150 HydrophobicContact CG1-CG2 4.35Å; I143-I170 HydrophobicContact CD1-CD1 4.17Å; I143-I170 HydrophobicContact CD1-CG1 4.31Å; I143-I170 HydrophobicContact CD1-CG2 4.03Å; I143-I170 HydrophobicContact CG1-CD1 4.05Å; I143-L179 HydrophobicContact CD1-CD1 3.89Å; I143-L179 HydrophobicContact CD1-CD2 4.4Å |
| 144 | S | 96.4 | Very high | 96.7 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | trans | -68.3 | 126.3 | 170.6 | 55.3 | 0 | 0 | 0 | 0 | 111 | N146 T147 G148 I149 Y151 | S144-N146 PolarHBondContact O-N 2.95Å; S144-T147 WeakPolarHBondContact OG-CB 3.38Å; S144-G148 WeakPolarHBondContact O-CA 3.43Å; S144-G148 PolarHBondContact O-N 3.41Å; S144-G148 PolarHBondContact OG-N 2.82Å; S144-I149 PolarHBondContact N-O 3.2Å; S144-I149 PolarHBondContact OG-N 2.83Å; S144-I149 PolarHBondContact OG-O 3.24Å; S144-Y151 WeakPolarHBondContact CA-OH 3.21Å | ||
| 145 | P | 94.8 | Very high | 96.6 | Very high | 112 Ų | 112 | 57.1 Ų | 57.1 | 73% | 0.727 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -31.5 | -178.1 | 24.7 | -33.7 | 0 | 0 | 0 | 112.3 | ||
| 146 | N | 94.3 | Very high | 96.6 | Very high | 153 Ų | 153 | 57 Ų | 57 | 82% | 0.818 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -41.6 | -175.5 | -57.6 | -15 | 0 | 0 | 0 | 112.8 | S144 | S144-N146 PolarHBondContact O-N 2.95Š|
| 147 | T | 95.1 | Very high | 96.6 | Very high | 96 Ų | 96 | 55.5 Ų | 55.5 | 59% | 0.589 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -18.1 | -172.4 | -35.4 | 0 | 0 | 0 | 0 | 112.3 | S144 I149 | S144-T147 WeakPolarHBondContact OG-CB 3.38Å; T147-I149 HydrophobicContact CG2-CB 4.5Å; T147-I149 HydrophobicContact CG2-CD1 3.42Å; T147-I149 VanDerWaalsContact CG2-CD1 3.42Å; T147-I149 HydrophobicContact CG2-CG1 3.71Å; T147-I149 PolarHBondContact O-N 3.45Å; T147-I149 VanDerWaalsContact O-N 3.15Å |
| 148 | G | 94.8 | Very high | 96.7 | Very high | 30 Ų | 30 | 50.4 Ų | 50.4 | 31% | 0.309 | 27% | 0.273 | S | S | . | . | trans | 68.5 | 7.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S144 R174 | S144-G148 WeakPolarHBondContact O-CA 3.43Å; S144-G148 PolarHBondContact O-N 3.41Å; S144-G148 PolarHBondContact OG-N 2.82Å; G148-R174 PolarHBondContact O-NH2 3.31Å | ||
| 149 | I | 96.4 | Very high | 96.7 | Very high | 109 Ų | 109 | 50.4 Ų | 50.4 | 56% | 0.559 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -84.2 | 137.2 | 177.2 | -60.8 | 175.9 | 0 | 0 | 0 | 109.2 | S144 T147 | S144-I149 PolarHBondContact N-O 3.2Å; S144-I149 PolarHBondContact OG-N 2.83Å; S144-I149 PolarHBondContact OG-O 3.24Å; T147-I149 HydrophobicContact CG2-CB 4.5Å; T147-I149 HydrophobicContact CG2-CD1 3.42Å; T147-I149 VanDerWaalsContact CG2-CD1 3.42Å; T147-I149 HydrophobicContact CG2-CG1 3.71Å; T147-I149 PolarHBondContact O-N 3.45Å; T147-I149 VanDerWaalsContact O-N 3.15Å |
| 150 | V | 97.9 | Very high | 96.8 | Very high | 33 Ų | 33 | 53.4 Ų | 53.4 | 20% | 0.2 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -69.5 | 133.8 | 174.5 | -173.2 | 0 | 0 | 0 | 0 | 109.6 | I143 I170 | I143-V150 HydrophobicContact CG1-CG2 4.35Å; V150-I170 HydrophobicContact CG1-CD1 3.88Å; V150-I170 HydrophobicContact CG2-CD1 3.82Å; V150-I170 HydrophobicContact CG2-CG2 4.12Å |
| 151 | Y | 97.8 | Very high | 96.8 | Very high | 33 Ų | 33 | 53.3 Ų | 53.3 | 13% | 0.129 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 140.3 | 177 | -64 | -47.6 | 0 | 0 | 0 | 111.9 | W90 F142 S144 R155 T156 Q163 | W90-Y151 HydrophobicContact CZ2-CD2 4.05Å; W90-Y151 AromaticContact CZ2-CE2 3.89Å; W90-Y151 HydrophobicContact CZ2-CE2 3.89Å; F142-Y151 WeakPolarHBondContact O-CD2 3.42Å; F142-Y151 PolarHBondContact O-N 2.97Å; S144-Y151 WeakPolarHBondContact CA-OH 3.21Å; Y151-R155 PolarHBondContact OH-NH2 3.4Å; Y151-T156 HydrophobicContact CD2-CG2 4.25Å; Y151-T156 HydrophobicContact CG-CG2 4.33Å; Y151-Q163 PolarHBondContact O-NE2 3.14Å |
| 152 | D | 97.3 | Very high | 96.8 | Very high | 82 Ų | 82 | 52.8 Ų | 52.8 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 152 | 171 | -178 | 31.6 | 0 | 0 | 0 | 111 | T154 R155 T156 | D152-T154 PolarHBondContact O-N 3.36Å; D152-T154 VanDerWaalsContact O-N 3.16Å; D152-T154 PolarHBondContact OD2-OG1 3.09Å; D152-R155 WeakPolarHBondContact O-CB 3.47Å; D152-R155 PolarHBondContact O-N 2.87Å; D152-T156 PolarHBondContact O-N 3.12Å; D152-T156 PolarHBondContact O-OG1 2.89Å |
| 153 | S | 97.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -53.4 | -29.1 | 175.3 | 61.7 | 0 | 0 | 0 | 0 | 114 | T106 R155 G157 Q160 | T106-S153 WeakPolarHBondContact CG2-O 3.17Å; S153-R155 VanDerWaalsContact C-N 3.32Å; S153-G157 VanDerWaalsContact O-CA 3.26Å; S153-G157 WeakPolarHBondContact O-CA 3.35Å; S153-G157 PolarHBondContact O-N 3.22Å; S153-Q160 PolarHBondContact OG-NE2 2.83Å |
| 154 | T | 96.2 | Very high | 96.9 | Very high | 54 Ų | 54 | 59.8 Ų | 59.8 | 33% | 0.331 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.4 | -31.3 | 174.9 | 42.9 | 0 | 0 | 0 | 0 | 113 | Q104 D152 | Q104-T154 WeakPolarHBondContact O-CG2 3.46Å; D152-T154 PolarHBondContact O-N 3.36Å; D152-T154 VanDerWaalsContact O-N 3.16Å; D152-T154 PolarHBondContact OD2-OG1 3.09Å |
| 155 | R | 95.9 | Very high | 97 | Very high | 146 Ų | 146 | 62.8 Ų | 62.8 | 55% | 0.551 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -79.9 | -45.8 | 177.6 | 179.5 | 174.2 | 173.3 | 160.7 | 0.4 | 112 | Y151 D152 S153 | Y151-R155 PolarHBondContact OH-NH2 3.4Å; D152-R155 WeakPolarHBondContact O-CB 3.47Å; D152-R155 PolarHBondContact O-N 2.87Å; S153-R155 VanDerWaalsContact C-N 3.32Å |
| 156 | T | 97.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -85.8 | -19.9 | -175.6 | 57.8 | 0 | 0 | 0 | 0 | 113 | W90 F142 Y151 D152 V158 | W90-T156 HydrophobicContact CD2-CG2 4.21Å; W90-T156 HydrophobicContact CG-CG2 4.3Å; F142-T156 HydrophobicContact CD1-CG2 3.92Å; F142-T156 HydrophobicContact CE1-CG2 4.4Å; Y151-T156 HydrophobicContact CD2-CG2 4.25Å; Y151-T156 HydrophobicContact CG-CG2 4.33Å; D152-T156 PolarHBondContact O-N 3.12Å; D152-T156 PolarHBondContact O-OG1 2.89Å; T156-V158 VanDerWaalsContact C-N 3.26Å; T156-V158 PolarHBondContact O-N 3.12Å; T156-V158 WeakPolarHBondContact OG1-CG2 3.27Å |
| 157 | G | 96.8 | Very high | 97.3 | Very high | 9 Ų | 9 | 53.9 Ų | 53.9 | 9% | 0.093 | 27% | 0.271 | C | S | . | . | trans | 74.7 | 10.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y93 S153 | Y93-G157 WeakPolarHBondContact CE1-O 3.49Å; S153-G157 VanDerWaalsContact O-CA 3.26Å; S153-G157 WeakPolarHBondContact O-CA 3.35Å; S153-G157 PolarHBondContact O-N 3.22Å | ||
| 158 | V | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -70.5 | 152 | 177.4 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | T106 I123 F142 T156 Q163 L166 | T106-V158 VanDerWaalsContact CB-O 3.24Å; T106-V158 WeakPolarHBondContact CB-O 3.18Å; T106-V158 WeakPolarHBondContact CG2-O 2.93Å; T106-V158 PolarHBondContact OG1-O 3.42Å; I123-V158 HydrophobicContact CD1-CG1 3.81Å; I123-V158 HydrophobicContact CG1-CG1 4.22Å; F142-V158 HydrophobicContact CE1-CG1 3.93Å; T156-V158 VanDerWaalsContact C-N 3.26Å; T156-V158 PolarHBondContact O-N 3.12Å; T156-V158 WeakPolarHBondContact OG1-CG2 3.27Å; V158-Q163 HydrophobicContact CG2-CB 3.95Å; V158-L166 HydrophobicContact CG2-CD1 4.5Å | ||
| 159 | C | 97.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.014 | 26% | 0.261 | C | S | . | . | trans | -73.3 | 156.7 | 172.5 | 71.1 | 0 | 0 | 0 | 0 | 111.3 | R107 C110 K161 Q162 Q163 | R107-C159 HydrophobicContact CG-CB 4.07Å; R107-C159 WeakPolarHBondContact O-CA 3.38Å; R107-C159 WeakPolarHBondContact O-CB 3.26Å; C110-C159 VanDerWaalsContact SG-CB 3.59Å; C159-K161 VanDerWaalsContact C-N 3.27Å; C159-K161 PolarHBondContact O-N 3.38Å; C159-Q162 PolarHBondContact O-N 3.04Å; C159-Q162 VanDerWaalsContact O-N 3.1Å; C159-Q162 WeakPolarHBondContact SG-CG 3.19Å; C159-Q163 PolarHBondContact O-N 2.93Å | ||
| 160 | Q | 98.1 | Very high | 97.8 | Very high | 63 Ų | 63 | 49.5 Ų | 49.5 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.4 | -34.7 | -175.4 | -63.9 | -65.5 | -38.8 | 0 | 0 | 113.2 | T106 R107 K108 S153 Q163 K164 | T106-Q160 WeakPolarHBondContact O-CG 3.41Å; T106-Q160 PolarHBondContact OG1-NE2 2.64Å; R107-Q160 PolarHBondContact O-N 3.39Å; K108-Q160 PolarHBondContact O-N 3.16Å; S153-Q160 PolarHBondContact OG-NE2 2.83Å; Q160-Q163 PolarHBondContact O-N 3.45Å; Q160-K164 PolarHBondContact O-N 3.21Å |
| 161 | K | 97.9 | Very high | 97.8 | Very high | 119 Ų | 119 | 49.2 Ų | 49.2 | 52% | 0.517 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.3 | -49.1 | 174.1 | 179 | 179.8 | 177.3 | -176.4 | 0 | 111.7 | K108 T109 C159 K164 Q165 | K108-K161 PolarHBondContact O-N 3.49Å; T109-K161 HydrophobicContact CG2-CB 3.78Å; T109-K161 HydrophobicContact CG2-CD 3.75Å; T109-K161 HydrophobicContact CG2-CG 4.36Å; C159-K161 VanDerWaalsContact C-N 3.27Å; C159-K161 PolarHBondContact O-N 3.38Å; K161-K164 PolarHBondContact O-N 3.35Å; K161-Q165 WeakPolarHBondContact O-CG 3.32Å; K161-Q165 PolarHBondContact O-N 3.02Å; K161-Q165 VanDerWaalsContact O-N 3.08Å |
| 162 | Q | 97.9 | Very high | 97.8 | Very high | 30 Ų | 30 | 49.6 Ų | 49.6 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.9 | -36.7 | 179.1 | -63.4 | -62.7 | -8.3 | 0 | 0 | 111.4 | I123 I131 C159 K164 Q165 L166 | I123-Q162 HydrophobicContact CD1-CB 4.41Å; I123-Q162 HydrophobicContact CG2-CG 4.45Å; I131-Q162 HydrophobicContact CD1-CB 4.3Å; C159-Q162 PolarHBondContact O-N 3.04Å; C159-Q162 VanDerWaalsContact O-N 3.1Å; C159-Q162 WeakPolarHBondContact SG-CG 3.19Å; Q162-K164 VanDerWaalsContact C-N 3.31Å; Q162-K164 PolarHBondContact O-N 3Å; Q162-Q165 PolarHBondContact O-N 3.25Å; Q162-L166 WeakPolarHBondContact O-CG 3.38Å; Q162-L166 PolarHBondContact O-N 3.05Å |
| 163 | Q | 98.3 | Very high | 97.9 | Very high | 13 Ų | 13 | 45.7 Ų | 45.7 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.4 | -43.7 | 172.6 | -173.5 | 68.4 | 39.3 | 0 | 0 | 111.6 | Y151 V158 C159 Q160 Q165 L166 N167 | Y151-Q163 PolarHBondContact O-NE2 3.14Å; V158-Q163 HydrophobicContact CG2-CB 3.95Å; C159-Q163 PolarHBondContact O-N 2.93Å; Q160-Q163 PolarHBondContact O-N 3.45Å; Q163-Q165 VanDerWaalsContact C-N 3.33Å; Q163-Q165 PolarHBondContact O-N 2.84Å; Q163-L166 PolarHBondContact O-N 3.24Å; Q163-N167 PolarHBondContact NE2-OD1 2.91Å; Q163-N167 VanDerWaalsContact NE2-OD1 3.09Å; Q163-N167 WeakPolarHBondContact O-CB 3.44Å; Q163-N167 VanDerWaalsContact O-CG 3.22Å; Q163-N167 PolarHBondContact O-N 3.4Å; Q163-N167 PolarHBondContact O-OD1 3.42Å |
| 164 | K | 98.4 | Very high | 97.9 | Very high | 155 Ų | 155 | 48.8 Ų | 48.8 | 67% | 0.674 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.4 | -42.4 | 176.8 | -172.7 | 179.7 | 178.1 | -176.8 | 0 | 111.3 | Q160 K161 Q162 N167 Q168 | Q160-K164 PolarHBondContact O-N 3.21Å; K161-K164 PolarHBondContact O-N 3.35Å; Q162-K164 VanDerWaalsContact C-N 3.31Å; Q162-K164 PolarHBondContact O-N 3Å; K164-N167 PolarHBondContact O-N 3.01Å; K164-Q168 WeakPolarHBondContact O-CB 3.49Å; K164-Q168 PolarHBondContact O-N 3.36Å |
| 165 | Q | 98.3 | Very high | 98 | Very high | 77 Ų | 77 | 52.8 Ų | 52.8 | 36% | 0.36 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 176.7 | -69.8 | 176.9 | -65.1 | 0 | 0 | 112 | I131 K161 Q162 Q163 Q168 A169 | I131-Q165 HydrophobicContact CD1-CB 3.96Å; K161-Q165 WeakPolarHBondContact O-CG 3.32Å; K161-Q165 PolarHBondContact O-N 3.02Å; K161-Q165 VanDerWaalsContact O-N 3.08Å; Q162-Q165 PolarHBondContact O-N 3.25Å; Q163-Q165 VanDerWaalsContact C-N 3.33Å; Q163-Q165 PolarHBondContact O-N 2.84Å; Q165-Q168 PolarHBondContact O-N 2.89Å; Q165-A169 WeakPolarHBondContact O-CB 3.35Å; Q165-A169 PolarHBondContact O-N 2.8Å |
| 166 | L | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.3 | -50.1 | 172.5 | -77.2 | 175.4 | 0 | 0 | 0 | 111.2 | I123 I131 L139 F142 V158 Q162 Q163 Q168 A169 I170 | I123-L166 HydrophobicContact CD1-CD1 3.81Å; I123-L166 HydrophobicContact CD1-CD2 4.19Å; I123-L166 HydrophobicContact CD1-CG 4.12Å; I131-L166 HydrophobicContact CD1-CD2 3.86Å; I131-L166 HydrophobicContact CD1-CG 3.79Å; I131-L166 HydrophobicContact CG1-CD2 3.93Å; I131-L166 HydrophobicContact CG1-CG 4.43Å; I131-L166 HydrophobicContact CG2-CD2 4.02Å; L139-L166 HydrophobicContact CD2-CD2 3.91Å; F142-L166 HydrophobicContact CB-CD1 4.42Å; F142-L166 HydrophobicContact CD1-CD1 3.72Å; F142-L166 HydrophobicContact CD2-CD1 4.25Å; F142-L166 HydrophobicContact CD2-CD2 3.93Å; F142-L166 HydrophobicContact CE1-CD1 4.02Å; F142-L166 HydrophobicContact CE2-CD2 4.2Å; F142-L166 HydrophobicContact CG-CD1 3.86Å; F142-L166 HydrophobicContact CG-CD2 4.28Å; F142-L166 HydrophobicContact CZ-CD1 4.41Å; V158-L166 HydrophobicContact CG2-CD1 4.5Å; Q162-L166 WeakPolarHBondContact O-CG 3.38Å; Q162-L166 PolarHBondContact O-N 3.05Å; Q163-L166 PolarHBondContact O-N 3.24Å; L166-Q168 VanDerWaalsContact C-N 3.29Å; L166-Q168 PolarHBondContact O-N 2.89Å; L166-A169 PolarHBondContact O-N 3.49Å; L166-I170 WeakPolarHBondContact O-CB 3.49Å; L166-I170 WeakPolarHBondContact O-CG1 3.45Å; L166-I170 PolarHBondContact O-N 3.18Å |
| 167 | N | 98.3 | Very high | 98.1 | Very high | 77 Ų | 77 | 54.3 Ų | 54.3 | 41% | 0.412 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | -179.6 | -69.5 | -7.3 | 0 | 0 | 0 | 111.6 | Q163 K164 G171 | Q163-N167 PolarHBondContact NE2-OD1 2.91Å; Q163-N167 VanDerWaalsContact NE2-OD1 3.09Å; Q163-N167 WeakPolarHBondContact O-CB 3.44Å; Q163-N167 VanDerWaalsContact O-CG 3.22Å; Q163-N167 PolarHBondContact O-N 3.4Å; Q163-N167 PolarHBondContact O-OD1 3.42Å; K164-N167 PolarHBondContact O-N 3.01Å; N167-G171 PolarHBondContact O-N 3.4Å |
| 168 | Q | 98.6 | Very high | 98.1 | Very high | 131 Ų | 131 | 57.5 Ų | 57.5 | 61% | 0.612 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.1 | -49.9 | 175.2 | -175.5 | 178.2 | 3.4 | 0 | 0 | 111.2 | K164 Q165 L166 I170 G171 T172 | K164-Q168 WeakPolarHBondContact O-CB 3.49Å; K164-Q168 PolarHBondContact O-N 3.36Å; Q165-Q168 PolarHBondContact O-N 2.89Å; L166-Q168 VanDerWaalsContact C-N 3.29Å; L166-Q168 PolarHBondContact O-N 2.89Å; Q168-I170 VanDerWaalsContact C-N 3.33Å; Q168-I170 PolarHBondContact O-N 3.08Å; Q168-G171 PolarHBondContact O-N 3.29Å; Q168-T172 PolarHBondContact O-N 2.97Å; Q168-T172 PolarHBondContact O-OG1 2.08Å; Q168-T172 VanDerWaalsContact O-OG1 3.05Å |
| 169 | A | 98.4 | Very high | 98 | Very high | 10 Ų | 10 | 58 Ų | 58 | 8% | 0.083 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I131 Y133 L139 Q165 L166 A173 | I131-A169 HydrophobicContact CG2-CB 3.68Å; Y133-A169 WeakPolarHBondContact CB-O 3.43Å; L139-A169 HydrophobicContact CD1-CB 4.37Å; L139-A169 HydrophobicContact CD2-CB 4.24Å; Q165-A169 WeakPolarHBondContact O-CB 3.35Å; Q165-A169 PolarHBondContact O-N 2.8Å; L166-A169 PolarHBondContact O-N 3.49Å; A169-A173 WeakPolarHBondContact O-CB 3.15Å; A169-A173 PolarHBondContact O-N 3.33Å |
| 170 | I | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 175 | -68.3 | 167.6 | 0 | 0 | 0 | 110.7 | L139 I143 V150 L166 Q168 A173 R174 L179 | L139-I170 HydrophobicContact CB-CG1 4.18Å; L139-I170 HydrophobicContact CD1-CG1 4.18Å; L139-I170 HydrophobicContact CD2-CG1 3.97Å; L139-I170 HydrophobicContact CG-CG1 4.33Å; I143-I170 HydrophobicContact CD1-CD1 4.17Å; I143-I170 HydrophobicContact CD1-CG1 4.31Å; I143-I170 HydrophobicContact CD1-CG2 4.03Å; I143-I170 HydrophobicContact CG1-CD1 4.05Å; V150-I170 HydrophobicContact CG1-CD1 3.88Å; V150-I170 HydrophobicContact CG2-CD1 3.82Å; V150-I170 HydrophobicContact CG2-CG2 4.12Å; L166-I170 WeakPolarHBondContact O-CB 3.49Å; L166-I170 WeakPolarHBondContact O-CG1 3.45Å; L166-I170 PolarHBondContact O-N 3.18Å; Q168-I170 VanDerWaalsContact C-N 3.33Å; Q168-I170 PolarHBondContact O-N 3.08Å; I170-A173 PolarHBondContact O-N 3.43Å; I170-R174 VanDerWaalsContact O-CG 3.32Å; I170-R174 WeakPolarHBondContact O-CG 3.44Å; I170-R174 PolarHBondContact O-N 3.37Å; I170-L179 HydrophobicContact CG1-CD1 4.45Å; I170-L179 HydrophobicContact CG2-CD1 4.18Å |
| 171 | G | 98.2 | Very high | 97.8 | Very high | 27 Ų | 27 | 65.7 Ų | 65.7 | 28% | 0.278 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.5 | -55 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | N167 Q168 A173 R174 D175 | N167-G171 PolarHBondContact O-N 3.4Å; Q168-G171 PolarHBondContact O-N 3.29Å; G171-A173 VanDerWaalsContact C-N 3.32Å; G171-A173 PolarHBondContact O-N 2.89Å; G171-R174 WeakPolarHBondContact O-CB 3.41Å; G171-R174 PolarHBondContact O-N 2.97Å; G171-D175 PolarHBondContact O-N 3.08Å |
| 172 | T | 98.5 | Very high | 97.6 | Very high | 42 Ų | 42 | 68.4 Ų | 68.4 | 26% | 0.258 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.4 | -40.8 | 177.5 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | Y133 Q168 R174 D175 H176 | Y133-T172 HydrophobicContact CD1-CG2 4.27Å; Y133-T172 HydrophobicContact CD2-CG2 4.23Å; Y133-T172 HydrophobicContact CG-CG2 3.92Å; Q168-T172 PolarHBondContact O-N 2.97Å; Q168-T172 PolarHBondContact O-OG1 2.08Å; Q168-T172 VanDerWaalsContact O-OG1 3.05Å; T172-R174 VanDerWaalsContact C-N 3.33Å; T172-R174 PolarHBondContact O-N 3.1Å; T172-D175 PolarHBondContact O-N 3.25Å; T172-H176 PolarHBondContact O-CD2 3.12Å; T172-H176 PolarHBondContact O-N 2.75Å |
| 173 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.1 | -33 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y133 L139 A169 I170 G171 G177 L178 L179 | Y133-A173 WeakPolarHBondContact O-CB 3.32Å; L139-A173 HydrophobicContact CD1-CB 4.08Å; A169-A173 WeakPolarHBondContact O-CB 3.15Å; A169-A173 PolarHBondContact O-N 3.33Å; I170-A173 PolarHBondContact O-N 3.43Å; G171-A173 VanDerWaalsContact C-N 3.32Å; G171-A173 PolarHBondContact O-N 2.89Å; A173-G177 PolarHBondContact O-N 3.2Å; A173-L178 HydrophobicContact CB-CB 4.43Å; A173-L178 PolarHBondContact O-N 2.97Å; A173-L179 HydrophobicContact CB-CB 4.42Å; A173-L179 HydrophobicContact CB-CD1 3.77Å; A173-L179 HydrophobicContact CB-CG 4.06Å; A173-L179 PolarHBondContact O-N 2.86Å |
| 174 | R | 97.8 | Very high | 97.2 | Very high | 66 Ų | 66 | 75.7 Ų | 75.7 | 25% | 0.249 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -70.5 | -42.1 | 172.3 | -73 | 173.3 | -179.3 | -176.7 | -3.3 | 111.3 | G148 I170 G171 T172 H176 G177 L179 F181 | G148-R174 PolarHBondContact O-NH2 3.31Å; I170-R174 VanDerWaalsContact O-CG 3.32Å; I170-R174 WeakPolarHBondContact O-CG 3.44Å; I170-R174 PolarHBondContact O-N 3.37Å; G171-R174 WeakPolarHBondContact O-CB 3.41Å; G171-R174 PolarHBondContact O-N 2.97Å; T172-R174 VanDerWaalsContact C-N 3.33Å; T172-R174 PolarHBondContact O-N 3.1Å; R174-H176 VanDerWaalsContact C-N 3.28Å; R174-H176 PolarHBondContact O-N 3.25Å; R174-G177 PolarHBondContact O-N 2.69Å; R174-L179 HydrophobicContact CG-CB 4.15Å; R174-F181 HydrophobicContact CB-CD1 3.9Å; R174-F181 HydrophobicContact CB-CE1 3.87Å; R174-F181 HydrophobicContact CG-CD1 3.78Å; R174-F181 HydrophobicContact CG-CE1 4.28Å; R174-F181 HydrophobicContact CG-CG 4.29Å |
| 175 | D | 97.9 | Very high | 97.1 | Very high | 138 Ų | 138 | 75.9 Ų | 75.9 | 74% | 0.738 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.7 | -37.8 | 177.2 | -59 | -27.5 | 0 | 0 | 0 | 111.5 | G171 T172 G177 | G171-D175 PolarHBondContact O-N 3.08Å; T172-D175 PolarHBondContact O-N 3.25Å; D175-G177 VanDerWaalsContact C-N 3.29Å; D175-G177 PolarHBondContact O-N 2.67Å |
| 176 | H | 98 | Very high | 96.9 | Very high | 118 Ų | 118 | 76.3 Ų | 76.3 | 55% | 0.546 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -4.5 | 173.9 | -71.8 | -65 | 0 | 0 | 0 | 114.4 | Y133 T172 R174 L178 | Y133-H176 AromaticContact CD2-CD2 3.85Å; Y133-H176 AromaticContact CE2-CD2 3.87Å; T172-H176 PolarHBondContact O-CD2 3.12Å; T172-H176 PolarHBondContact O-N 2.75Å; R174-H176 VanDerWaalsContact C-N 3.28Å; R174-H176 PolarHBondContact O-N 3.25Å; H176-L178 VanDerWaalsContact C-N 3.28Å; H176-L178 HydrophobicContact CB-CD1 4.43Å; H176-L178 HydrophobicContact CB-CG 4.12Å; H176-L178 PolarHBondContact O-N 3.35Å |
| 177 | G | 97.3 | Very high | 96.5 | Very high | 61 Ų | 61 | 81.9 Ų | 81.9 | 63% | 0.629 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 15.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | A173 R174 D175 | A173-G177 PolarHBondContact O-N 3.2Å; R174-G177 PolarHBondContact O-N 2.69Å; D175-G177 VanDerWaalsContact C-N 3.29Å; D175-G177 PolarHBondContact O-N 2.67Å |
| 178 | L | 97.4 | Very high | 96 | Very high | 77 Ų | 77 | 84.7 Ų | 84.7 | 40% | 0.403 | 46% | 0.459 | S | S | . | . | trans | -76.4 | -32.6 | 176.9 | -61.6 | 178.2 | 0 | 0 | 0 | 112.2 | Y133 V136 A173 H176 | Y133-L178 HydrophobicContact CD2-CD1 4.06Å; Y133-L178 HydrophobicContact CE2-CD1 4.49Å; V136-L178 HydrophobicContact CG2-CB 3.91Å; A173-L178 HydrophobicContact CB-CB 4.43Å; A173-L178 PolarHBondContact O-N 2.97Å; H176-L178 VanDerWaalsContact C-N 3.28Å; H176-L178 HydrophobicContact CB-CD1 4.43Å; H176-L178 HydrophobicContact CB-CG 4.12Å; H176-L178 PolarHBondContact O-N 3.35Å | ||
| 179 | L | 96.9 | Very high | 95.3 | Very high | 9 Ų | 9 | 83.7 Ų | 83.7 | 5% | 0.047 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -106.5 | 126.4 | 177.4 | -82.9 | 174.5 | 0 | 0 | 0 | 110.8 | V136 L139 I143 I170 A173 R174 | V136-L179 HydrophobicContact CG1-CD2 3.76Å; L139-L179 HydrophobicContact CB-CD1 4.11Å; L139-L179 HydrophobicContact CD1-CD1 4.08Å; I143-L179 HydrophobicContact CD1-CD1 3.89Å; I143-L179 HydrophobicContact CD1-CD2 4.4Å; I170-L179 HydrophobicContact CG1-CD1 4.45Å; I170-L179 HydrophobicContact CG2-CD1 4.18Å; A173-L179 HydrophobicContact CB-CB 4.42Å; A173-L179 HydrophobicContact CB-CD1 3.77Å; A173-L179 HydrophobicContact CB-CG 4.06Å; A173-L179 PolarHBondContact O-N 2.86Å; R174-L179 HydrophobicContact CG-CB 4.15Å |
| 180 | P | 94.3 | Very high | 94.6 | Very high | 122 Ų | 122 | 87 Ų | 87 | 79% | 0.792 | 50% | 0.501 | S | S | * | . | trans | -70.6 | 139 | 174.1 | 29.5 | -33.6 | 0 | 0 | 0 | 110.5 | ||||
| 181 | F | 95.5 | Very high | 93.9 | Very high | 106 Ų | 106 | 93.1 Ų | 93.1 | 47% | 0.465 | 53% | 0.53 | S | S | . | . | trans | -146.4 | 160.1 | 171.6 | 69.7 | -78.9 | 0 | 0 | 0 | 110.2 | R174 V183 | R174-F181 HydrophobicContact CB-CD1 3.9Å; R174-F181 HydrophobicContact CB-CE1 3.87Å; R174-F181 HydrophobicContact CG-CD1 3.78Å; R174-F181 HydrophobicContact CG-CE1 4.28Å; R174-F181 HydrophobicContact CG-CG 4.29Å; F181-V183 HydrophobicContact CD2-CG2 3.98Å; F181-V183 HydrophobicContact CE1-CG2 4.47Å; F181-V183 HydrophobicContact CE2-CG2 3.41Å; F181-V183 VanDerWaalsContact CE2-CG2 3.41Å; F181-V183 HydrophobicContact CZ-CG2 3.69Å; F181-V183 PolarHBondContact O-N 3.49Å | ||
| 182 | Q | 93.8 | Very high | 93.4 | Very high | 176 Ų | 176 | 99.5 Ų | 99.5 | 82% | 0.822 | 56% | 0.558 | S | S | * | * | trans | -78.4 | 117.4 | 179.9 | -174.7 | 175.8 | -8.6 | 0 | 0 | 110 | ||||
| 183 | V | 94.9 | Very high | 92.7 | Very high | 103 Ų | 103 | 104.7 Ų | 104.7 | 62% | 0.624 | 57% | 0.574 | S | S | * | * | trans | -102 | 113.6 | 169.8 | -178.7 | 0 | 0 | 0 | 0 | 107.4 | F181 | F181-V183 HydrophobicContact CD2-CG2 3.98Å; F181-V183 HydrophobicContact CE1-CG2 4.47Å; F181-V183 HydrophobicContact CE2-CG2 3.41Å; F181-V183 VanDerWaalsContact CE2-CG2 3.41Å; F181-V183 HydrophobicContact CZ-CG2 3.69Å; F181-V183 PolarHBondContact O-N 3.49Å | ||
| 184 | P | 94.6 | Very high | 92.3 | Very high | 92 Ų | 92 | 108.2 Ų | 108.2 | 60% | 0.597 | 60% | 0.598 | S | S | * | * | trans | -67.7 | 142.9 | 174.8 | 28.9 | -33 | 0 | 0 | 0 | 109.9 | ||||
| 185 | H | 95.1 | Very high | 91.9 | Very high | 160 Ų | 160 | 111.1 Ų | 111.1 | 74% | 0.741 | 62% | 0.619 | S | S | * | * | trans | -69.3 | 133.7 | 165.6 | -171.1 | 63.5 | 0 | 0 | 0 | 108.9 | D187 | H185-D187 IonicContact CD2-OD1 3.25Å; H185-D187 PolarHBondContact CD2-OD1 3.04Å; H185-D187 VanDerWaalsContact CD2-OD1 3.25Å; H185-D187 IonicContact NE2-OD1 3.02Å; H185-D187 PolarHBondContact NE2-OD1 3.37Å | ||
| 186 | V | 93.6 | Very high | 91.4 | Very high | 86 Ų | 86 | 109.6 Ų | 109.6 | 52% | 0.521 | 62% | 0.617 | S | S | . | * | trans | -119.6 | 115.7 | 176.8 | -179.8 | 0 | 0 | 0 | 0 | 107.1 | F188 | V186-F188 HydrophobicContact CB-CE2 4.48Å; V186-F188 HydrophobicContact CB-CZ 4.38Å; V186-F188 HydrophobicContact CG1-CE1 4.14Å; V186-F188 HydrophobicContact CG1-CE2 4.39Å; V186-F188 HydrophobicContact CG1-CZ 4.02Å; V186-F188 WeakPolarHBondContact O-CD2 3.24Å; V186-F188 WeakPolarHBondContact O-CE2 3.39Å | ||
| 187 | D | 91.1 | Very high | 91 | Very high | 117 Ų | 117 | 110.2 Ų | 110.2 | 63% | 0.626 | 62% | 0.62 | S | S | * | * | trans | -82 | 133.2 | 175.1 | -65.1 | -54.2 | 0 | 0 | 0 | 109.8 | H185 | H185-D187 IonicContact CD2-OD1 3.25Å; H185-D187 PolarHBondContact CD2-OD1 3.04Å; H185-D187 VanDerWaalsContact CD2-OD1 3.25Å; H185-D187 IonicContact NE2-OD1 3.02Å; H185-D187 PolarHBondContact NE2-OD1 3.37Å | ||
| 188 | F | 88.4 | Confident | 90.7 | Very high | 136 Ų | 136 | 112.8 Ų | 112.8 | 60% | 0.596 | 62% | 0.62 | S | S | * | * | trans | -108.8 | 14.1 | 177.1 | -58 | -85.5 | 0 | 0 | 0 | 112.9 | V186 G190 E191 Y193 | V186-F188 HydrophobicContact CB-CE2 4.48Å; V186-F188 HydrophobicContact CB-CZ 4.38Å; V186-F188 HydrophobicContact CG1-CE1 4.14Å; V186-F188 HydrophobicContact CG1-CE2 4.39Å; V186-F188 HydrophobicContact CG1-CZ 4.02Å; V186-F188 WeakPolarHBondContact O-CD2 3.24Å; V186-F188 WeakPolarHBondContact O-CE2 3.39Å; F188-G190 PolarHBondContact O-N 3.37Å; F188-E191 PolarHBondContact O-N 2.97Å; F188-Y193 WeakPolarHBondContact CB-OH 3.22Å; F188-Y193 PolarHBondContact O-OH 3.09Å | ||
| 189 | S | 83.8 | Confident | 90.4 | Very high | 110 Ų | 110 | 113.1 Ų | 113.1 | 77% | 0.769 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 6.4 | -169.4 | 54 | 0 | 0 | 0 | 0 | 117.2 | ||
| 190 | G | 83 | Confident | 90.2 | Very high | 79 Ų | 79 | 117.7 Ų | 117.7 | 81% | 0.814 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -0.9 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | F188 | F188-G190 PolarHBondContact O-N 3.37Š|
| 191 | E | 83.8 | Confident | 89.9 | Confident | 130 Ų | 130 | 113.6 Ų | 113.6 | 61% | 0.607 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -110 | 138.7 | -175.5 | -64.5 | 176.9 | -179.5 | 0 | 0 | 111.7 | F188 Y193 | F188-E191 PolarHBondContact O-N 2.97Å; E191-Y193 HydrophobicContact CB-CE1 4.36Å; E191-Y193 WeakPolarHBondContact O-CD2 3.42Å; E191-Y193 WeakPolarHBondContact O-CE2 3.44Å; E191-Y193 PolarHBondContact O-N 2.96Å |
| 192 | D | 86.8 | Confident | 89.6 | Confident | 161 Ų | 161 | 114.5 Ų | 114.5 | 86% | 0.861 | 66% | 0.661 | S | S | * | * | trans | -75.5 | 103.8 | 171 | -68.6 | -31.8 | 0 | 0 | 0 | 109 | S194 | D192-S194 PolarHBondContact O-N 3.37Š| ||
| 193 | Y | 85 | Confident | 89.4 | Confident | 152 Ų | 152 | 110.7 Ų | 110.7 | 60% | 0.596 | 65% | 0.65 | S | S | * | * | trans | -75.6 | 40.8 | 177.3 | -62.6 | -71.1 | 0 | 0 | 0 | 113.7 | F188 E191 | F188-Y193 WeakPolarHBondContact CB-OH 3.22Å; F188-Y193 PolarHBondContact O-OH 3.09Å; E191-Y193 HydrophobicContact CB-CE1 4.36Å; E191-Y193 WeakPolarHBondContact O-CD2 3.42Å; E191-Y193 WeakPolarHBondContact O-CE2 3.44Å; E191-Y193 PolarHBondContact O-N 2.96Å | ||
| 194 | S | 88.8 | Confident | 89.2 | Confident | 74 Ų | 74 | 111.3 Ų | 111.3 | 52% | 0.517 | 66% | 0.656 | S | S | . | * | trans | -98.6 | 109.9 | 178.5 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | D192 C196 | D192-S194 PolarHBondContact O-N 3.37Å; S194-C196 PolarHBondContact O-N 2.96Å; S194-C196 PolarHBondContact OG-SG 3.45Å | ||
| 195 | N | 89.1 | Confident | 89 | Confident | 127 Ų | 127 | 110.9 Ų | 110.9 | 68% | 0.679 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | 27.7 | 175.2 | -69.2 | -31.3 | 0 | 0 | 0 | 113 | H197 V200 | N195-H197 VanDerWaalsContact C-N 3.35Å; N195-V200 HydrophobicContact CB-CG1 4.3Å |
| 196 | C | 87.6 | Confident | 88.8 | Confident | 105 Ų | 105 | 104.7 Ų | 104.7 | 71% | 0.709 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -4.1 | -177.2 | -63.4 | 0 | 0 | 0 | 0 | 113.6 | S194 | S194-C196 PolarHBondContact O-N 2.96Å; S194-C196 PolarHBondContact OG-SG 3.45Å |
| 197 | H | 90.7 | Very high | 88.6 | Confident | 132 Ų | 132 | 105.6 Ų | 105.6 | 61% | 0.611 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -75.5 | 135.4 | 178.1 | -171.3 | -88.5 | 0 | 0 | 0 | 111 | N195 A199 V200 G201 | N195-H197 VanDerWaalsContact C-N 3.35Å; H197-A199 WeakPolarHBondContact ND1-CB 3.43Å; H197-A199 PolarHBondContact ND1-N 3.43Å; H197-A199 VanDerWaalsContact ND1-N 3.13Å; H197-A199 PolarHBondContact O-N 3.03Å; H197-V200 PolarHBondContact O-N 2.94Å; H197-G201 PolarHBondContact O-N 3.45Å |
| 198 | D | 90.5 | Very high | 88.4 | Confident | 114 Ų | 114 | 101.8 Ų | 101.8 | 61% | 0.61 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -25.8 | -176 | -67.2 | -23.6 | 0 | 0 | 0 | 114.3 | V200 G201 T203 | D198-V200 VanDerWaalsContact C-N 3.3Å; D198-V200 PolarHBondContact O-N 3.13Å; D198-G201 VanDerWaalsContact O-O 3.08Å; D198-T203 HydrophobicContact CB-CG2 4.14Å; D198-T203 WeakPolarHBondContact O-CG2 3.24Å |
| 199 | A | 90.8 | Very high | 88.3 | Confident | 85 Ų | 85 | 100.6 Ų | 100.6 | 70% | 0.702 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -28.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | H197 | H197-A199 WeakPolarHBondContact ND1-CB 3.43Å; H197-A199 PolarHBondContact ND1-N 3.43Å; H197-A199 VanDerWaalsContact ND1-N 3.13Å; H197-A199 PolarHBondContact O-N 3.03Å |
| 200 | V | 92.4 | Very high | 88.3 | Confident | 104 Ų | 104 | 100.7 Ų | 100.7 | 63% | 0.63 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -32.6 | 175.1 | -175.6 | 0 | 0 | 0 | 0 | 110 | N195 H197 D198 | N195-V200 HydrophobicContact CB-CG1 4.3Å; H197-V200 PolarHBondContact O-N 2.94Å; D198-V200 VanDerWaalsContact C-N 3.3Å; D198-V200 PolarHBondContact O-N 3.13Å |
| 201 | G | 88.9 | Confident | 88.5 | Confident | 36 Ų | 36 | 100.4 Ų | 100.4 | 37% | 0.371 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -70.6 | 174 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | H197 D198 T203 | H197-G201 PolarHBondContact O-N 3.45Å; D198-G201 VanDerWaalsContact O-O 3.08Å; G201-T203 PolarHBondContact O-N 3.25Å |
| 202 | S | 89.4 | Confident | 88.7 | Confident | 125 Ų | 125 | 97.3 Ų | 97.3 | 87% | 0.874 | 60% | 0.599 | S | S | * | * | trans | -77.8 | 114 | 170 | -62.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 203 | T | 90.1 | Very high | 88.9 | Confident | 97 Ų | 97 | 93.6 Ų | 93.6 | 60% | 0.595 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -75 | 135.3 | 169.1 | 41.7 | 0 | 0 | 0 | 0 | 109.5 | D198 G201 | D198-T203 HydrophobicContact CB-CG2 4.14Å; D198-T203 WeakPolarHBondContact O-CG2 3.24Å; G201-T203 PolarHBondContact O-N 3.25Å |
| 204 | P | 90.1 | Very high | 89.2 | Confident | 115 Ų | 115 | 88.7 Ų | 88.7 | 75% | 0.747 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 132.6 | 176.5 | 25.2 | -32.5 | 0 | 0 | 0 | 109.3 | ||
| 205 | P | 90.8 | Very high | 89.2 | Confident | 84 Ų | 84 | 92.2 Ų | 92.2 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -65.7 | 141.5 | -177.8 | 27.1 | -33.7 | 0 | 0 | 0 | 109.8 | I209 | P205-I209 HydrophobicContact CB-CG2 4.18Š|
| 206 | P | 90.6 | Very high | 89.4 | Confident | 29 Ų | 29 | 91.8 Ų | 91.8 | 19% | 0.188 | 56% | 0.558 | C | S | . | * | P | Polyproline II helix | trans | -65.3 | 157 | 173.1 | 34.2 | -40.8 | 0 | 0 | 0 | 110.1 | T208 I209 T210 W215 | P206-T208 PolarHBondContact O-N 3.12Å; P206-I209 HydrophobicContact CG-CB 3.84Å; P206-I209 HydrophobicContact CG-CD1 3.52Å; P206-I209 HydrophobicContact CG-CG1 3.67Å; P206-I209 PolarHBondContact O-N 3.22Å; P206-I209 VanDerWaalsContact O-N 3.12Å; P206-T210 PolarHBondContact O-N 3.46Å; P206-W215 HydrophobicContact CB-CH2 4.01Å; P206-W215 HydrophobicContact CB-CZ3 3.94Å; P206-W215 HydrophobicContact CG-CE3 4.11Å; P206-W215 HydrophobicContact CG-CH2 4.05Å; P206-W215 HydrophobicContact CG-CZ3 3.5Å |
| 207 | P | 88.3 | Confident | 89.4 | Confident | 106 Ų | 106 | 95.1 Ų | 95.1 | 69% | 0.688 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -59.7 | -33 | 179.4 | 22.5 | -32.7 | 0 | 0 | 0 | 112.9 | I209 T210 S211 | P207-I209 VanDerWaalsContact C-N 3.34Å; P207-I209 PolarHBondContact O-N 3Å; P207-T210 WeakPolarHBondContact O-CB 3.43Å; P207-T210 PolarHBondContact O-N 3.07Å; P207-T210 VanDerWaalsContact O-N 3.07Å; P207-S211 PolarHBondContact O-N 3.44Å; P207-S211 PolarHBondContact O-OG 3.38Å |
| 208 | T | 87.9 | Confident | 89.4 | Confident | 36 Ų | 36 | 96.9 Ų | 96.9 | 22% | 0.221 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -61.6 | -38.2 | 176.8 | 48.2 | 0 | 0 | 0 | 0 | 112.8 | P206 T210 S211 G212 D213 | P206-T208 PolarHBondContact O-N 3.12Å; T208-T210 VanDerWaalsContact C-N 3.3Å; T208-T210 PolarHBondContact O-N 3.41Å; T208-S211 PolarHBondContact O-N 2.72Å; T208-S211 PolarHBondContact O-OG 3.23Å; T208-G212 PolarHBondContact O-N 2.95Å; T208-D213 CarbonylContact C-O 3.57Å; T208-D213 PolarHBondContact O-N 3.06Å; T208-D213 VanDerWaalsContact O-O 3.11Å |
| 209 | I | 85.3 | Confident | 89.5 | Confident | 112 Ų | 112 | 97.7 Ų | 97.7 | 57% | 0.574 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.6 | -35.6 | 174 | -78.6 | 172.2 | 0 | 0 | 0 | 110.8 | P205 P206 P207 G212 | P205-I209 HydrophobicContact CB-CG2 4.18Å; P206-I209 HydrophobicContact CG-CB 3.84Å; P206-I209 HydrophobicContact CG-CD1 3.52Å; P206-I209 HydrophobicContact CG-CG1 3.67Å; P206-I209 PolarHBondContact O-N 3.22Å; P206-I209 VanDerWaalsContact O-N 3.12Å; P207-I209 VanDerWaalsContact C-N 3.34Å; P207-I209 PolarHBondContact O-N 3Å; I209-G212 PolarHBondContact O-N 3.48Å |
| 210 | T | 85.1 | Confident | 89.4 | Confident | 111 Ų | 111 | 96.5 Ų | 96.5 | 68% | 0.681 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71.1 | -36.6 | 179.7 | -53.4 | 0 | 0 | 0 | 0 | 111.9 | P206 P207 T208 G212 | P206-T210 PolarHBondContact O-N 3.46Å; P207-T210 WeakPolarHBondContact O-CB 3.43Å; P207-T210 PolarHBondContact O-N 3.07Å; P207-T210 VanDerWaalsContact O-N 3.07Å; T208-T210 VanDerWaalsContact C-N 3.3Å; T208-T210 PolarHBondContact O-N 3.41Å; T210-G212 VanDerWaalsContact C-N 3.34Å |
| 211 | S | 86.5 | Confident | 89.3 | Confident | 73 Ų | 73 | 97.9 Ų | 97.9 | 51% | 0.51 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -81 | -11.6 | 176 | 64.8 | 0 | 0 | 0 | 0 | 114 | P207 T208 D213 | P207-S211 PolarHBondContact O-N 3.44Å; P207-S211 PolarHBondContact O-OG 3.38Å; T208-S211 PolarHBondContact O-N 2.72Å; T208-S211 PolarHBondContact O-OG 3.23Å; S211-D213 VanDerWaalsContact C-N 3.27Å; S211-D213 WeakPolarHBondContact CB-OD2 3.37Å; S211-D213 PolarHBondContact OG-OD2 3.47Å |
| 212 | G | 88.4 | Confident | 89.4 | Confident | 65 Ų | 65 | 101 Ų | 101 | 67% | 0.67 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | 11.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T208 I209 T210 | T208-G212 PolarHBondContact O-N 2.95Å; I209-G212 PolarHBondContact O-N 3.48Å; T210-G212 VanDerWaalsContact C-N 3.34Å |
| 213 | D | 89.9 | Confident | 89.4 | Confident | 84 Ų | 84 | 102.6 Ų | 102.6 | 45% | 0.449 | 54% | 0.542 | S | S | . | . | trans | -85.5 | 147.2 | 178.9 | -66.9 | -53.5 | 0 | 0 | 0 | 111.7 | T208 S211 | T208-D213 CarbonylContact C-O 3.57Å; T208-D213 PolarHBondContact O-N 3.06Å; T208-D213 VanDerWaalsContact O-O 3.11Å; S211-D213 VanDerWaalsContact C-N 3.27Å; S211-D213 WeakPolarHBondContact CB-OD2 3.37Å; S211-D213 PolarHBondContact OG-OD2 3.47Å | ||
| 214 | P | 91.3 | Very high | 89.6 | Confident | 48 Ų | 48 | 101.9 Ų | 101.9 | 31% | 0.312 | 54% | 0.539 | S | S | . | . | trans | -53.4 | 148.6 | 166.4 | -20.3 | 29.3 | 0 | 0 | 0 | 112.5 | Y216 Y219 H220 | P214-Y216 VanDerWaalsContact C-N 3.27Å; P214-Y216 PolarHBondContact O-N 3.21Å; P214-Y219 HydrophobicContact CB-CD2 3.87Å; P214-Y219 HydrophobicContact CB-CG 4.29Å; P214-H220 WeakPolarHBondContact CD-CE1 3.23Å; P214-H220 VanDerWaalsContact CD-NE2 3.28Å; P214-H220 WeakPolarHBondContact CD-NE2 3.46Å | ||
| 215 | W | 89.6 | Confident | 89.8 | Confident | 149 Ų | 149 | 102 Ų | 102 | 56% | 0.564 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -56.3 | -39.5 | -177 | -168.4 | -74.8 | 0 | 0 | 0 | 113.7 | P206 | P206-W215 HydrophobicContact CB-CH2 4.01Å; P206-W215 HydrophobicContact CB-CZ3 3.94Å; P206-W215 HydrophobicContact CG-CE3 4.11Å; P206-W215 HydrophobicContact CG-CH2 4.05Å; P206-W215 HydrophobicContact CG-CZ3 3.5Å |
| 216 | Y | 92.7 | Very high | 90 | Very high | 118 Ų | 118 | 106.2 Ų | 106.2 | 46% | 0.463 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -119.9 | 146.3 | 177.8 | -61.2 | -70.4 | 0 | 0 | 0 | 111.4 | P214 W218 Y219 | P214-Y216 VanDerWaalsContact C-N 3.27Å; P214-Y216 PolarHBondContact O-N 3.21Å; Y216-W218 VanDerWaalsContact C-N 3.26Å; Y216-W218 VanDerWaalsContact CB-NE1 3.3Å; Y216-W218 HydrophobicContact CD2-CZ2 4.24Å; Y216-W218 AromaticContact CG-NE1 3.69Å; Y216-W218 PolarHBondContact O-N 3.38Å; Y216-Y219 HydrophobicContact CD2-CE2 4.05Å; Y216-Y219 WeakPolarHBondContact O-CB 3.28Å; Y216-Y219 PolarHBondContact O-N 3.15Å; Y216-Y219 VanDerWaalsContact O-N 3.16Å |
| 217 | R | 88.8 | Confident | 90.2 | Very high | 175 Ų | 175 | 109.2 Ų | 109.2 | 66% | 0.66 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -60.2 | -33.2 | -176.8 | -173.5 | 60.2 | -178.9 | 128.1 | 4.4 | 113.9 | Y219 H220 | R217-Y219 PolarHBondContact O-N 3.16Å; R217-H220 PolarHBondContact NH1-CD2 3.03Å; R217-H220 PolarHBondContact O-CD2 3.29Å; R217-H220 PolarHBondContact O-N 3.33Å |
| 218 | W | 90.8 | Very high | 90.5 | Very high | 169 Ų | 169 | 108.5 Ų | 108.5 | 64% | 0.64 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -77.1 | -3.9 | -177.3 | 59 | -95.5 | 0 | 0 | 0 | 114.3 | Y216 H220 I222 | Y216-W218 VanDerWaalsContact C-N 3.26Å; Y216-W218 VanDerWaalsContact CB-NE1 3.3Å; Y216-W218 HydrophobicContact CD2-CZ2 4.24Å; Y216-W218 AromaticContact CG-NE1 3.69Å; Y216-W218 PolarHBondContact O-N 3.38Å; W218-H220 VanDerWaalsContact C-N 3.29Å; W218-I222 HydrophobicContact CB-CD1 4.35Å |
| 219 | Y | 92.7 | Very high | 90.8 | Very high | 131 Ų | 131 | 108.9 Ų | 108.9 | 51% | 0.514 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -73.9 | -21.7 | 167.9 | -71.1 | -20.5 | 0 | 0 | 0 | 113.1 | P214 Y216 R217 | P214-Y219 HydrophobicContact CB-CD2 3.87Å; P214-Y219 HydrophobicContact CB-CG 4.29Å; Y216-Y219 HydrophobicContact CD2-CE2 4.05Å; Y216-Y219 WeakPolarHBondContact O-CB 3.28Å; Y216-Y219 PolarHBondContact O-N 3.15Å; Y216-Y219 VanDerWaalsContact O-N 3.16Å; R217-Y219 PolarHBondContact O-N 3.16Å |
| 220 | H | 88.1 | Confident | 91.2 | Very high | 59 Ų | 59 | 106.2 Ų | 106.2 | 27% | 0.273 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -73.3 | 154.9 | 171.4 | -63.8 | -87.1 | 0 | 0 | 0 | 111.1 | P214 R217 W218 I222 | P214-H220 WeakPolarHBondContact CD-CE1 3.23Å; P214-H220 VanDerWaalsContact CD-NE2 3.28Å; P214-H220 WeakPolarHBondContact CD-NE2 3.46Å; R217-H220 PolarHBondContact NH1-CD2 3.03Å; R217-H220 PolarHBondContact O-CD2 3.29Å; R217-H220 PolarHBondContact O-N 3.33Å; W218-H220 VanDerWaalsContact C-N 3.29Å; H220-I222 PolarHBondContact O-N 3.21Å |
| 221 | T | 90.4 | Very high | 91.7 | Very high | 133 Ų | 133 | 106.5 Ų | 106.5 | 82% | 0.816 | 54% | 0.54 | S | S | * | . | trans | -64 | 107.3 | 165.3 | -52.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 222 | I | 90.9 | Very high | 92.1 | Very high | 101 Ų | 101 | 106.8 Ų | 106.8 | 52% | 0.518 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -92.7 | 125.9 | 173 | -60.1 | 169.4 | 0 | 0 | 0 | 107.5 | W218 H220 P224 | W218-I222 HydrophobicContact CB-CD1 4.35Å; H220-I222 PolarHBondContact O-N 3.21Å; I222-P224 WeakPolarHBondContact O-CD 3.35Å |
| 223 | Q | 90.3 | Very high | 92.4 | Very high | 160 Ų | 160 | 109.5 Ų | 109.5 | 75% | 0.748 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -76 | 116.1 | 168.4 | -69.7 | -65.9 | -25 | 0 | 0 | 108 | ||
| 224 | P | 92.4 | Very high | 92.6 | Very high | 81 Ų | 81 | 113.9 Ų | 113.9 | 53% | 0.526 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 152.2 | -178.4 | 31 | -34.9 | 0 | 0 | 0 | 111.3 | I222 E226 V229 | I222-P224 WeakPolarHBondContact O-CD 3.35Å; P224-E226 PolarHBondContact O-N 3.44Å; P224-V229 HydrophobicContact CB-CG2 3.85Å; P224-V229 HydrophobicContact CG-CG2 3.5Å; P224-V229 VanDerWaalsContact CG-CG2 3.5Å |
| 225 | D | 95.6 | Very high | 92.9 | Very high | 119 Ų | 119 | 116.7 Ų | 116.7 | 64% | 0.636 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 133.9 | 175.6 | -67.5 | -27 | 0 | 0 | 0 | 111.3 | T227 E228 V229 | D225-T227 PolarHBondContact O-N 2.68Å; D225-T227 VanDerWaalsContact O-N 3.14Å; D225-E228 HydrophobicContact CB-CG 4.48Å; D225-E228 PolarHBondContact O-N 3.14Å; D225-E228 VanDerWaalsContact O-N 3.08Å; D225-V229 WeakPolarHBondContact O-CG2 3.41Å; D225-V229 PolarHBondContact O-N 3.48Å |
| 226 | E | 94.6 | Very high | 93.2 | Very high | 171 Ų | 171 | 115.9 Ų | 115.9 | 80% | 0.799 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.1 | -30.4 | -174.7 | -62.3 | -175.8 | 169.7 | 0 | 0 | 112.8 | P224 V229 A230 | P224-E226 PolarHBondContact O-N 3.44Å; E226-V229 PolarHBondContact O-N 3.37Å; E226-A230 WeakPolarHBondContact O-CB 3.4Å; E226-A230 PolarHBondContact O-N 2.85Å |
| 227 | T | 95.3 | Very high | 93.2 | Very high | 93 Ų | 93 | 118.4 Ų | 118.4 | 57% | 0.571 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66 | -42 | 177.5 | 54.8 | 0 | 0 | 0 | 0 | 112 | D225 A230 K231 | D225-T227 PolarHBondContact O-N 2.68Å; D225-T227 VanDerWaalsContact O-N 3.14Å; T227-A230 PolarHBondContact O-N 3.48Å; T227-K231 WeakPolarHBondContact O-CG 3.48Å; T227-K231 PolarHBondContact O-N 3.08Å; T227-K231 VanDerWaalsContact O-N 3.08Å |
| 228 | E | 93.5 | Very high | 93.4 | Very high | 90 Ų | 90 | 114.2 Ų | 114.2 | 42% | 0.421 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72.2 | -39.9 | 176.9 | -64.3 | -55.6 | 142.6 | 0 | 0 | 110.9 | D225 A230 K231 V232 | D225-E228 HydrophobicContact CB-CG 4.48Å; D225-E228 PolarHBondContact O-N 3.14Å; D225-E228 VanDerWaalsContact O-N 3.08Å; E228-A230 VanDerWaalsContact C-N 3.27Å; E228-A230 PolarHBondContact O-N 3.08Å; E228-K231 WeakPolarHBondContact O-CB 3.41Å; E228-K231 PolarHBondContact O-N 3.09Å; E228-K231 IonicContact OE1-NZ 2.68Å; E228-K231 PolarHBondContact OE1-NZ 3.05Å; E228-K231 WeakPolarHBondContact OE2-CD 3.44Å; E228-K231 IonicContact OE2-NZ 3.48Å; E228-K231 PolarHBondContact OE2-NZ 2.88Å; E228-V232 WeakPolarHBondContact O-CG2 3.47Å; E228-V232 PolarHBondContact O-N 3.42Å |
| 229 | V | 94.6 | Very high | 93.4 | Very high | 45 Ų | 45 | 115.7 Ų | 115.7 | 27% | 0.273 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -58.5 | -42.2 | 172 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | P224 D225 E226 V232 K233 | P224-V229 HydrophobicContact CB-CG2 3.85Å; P224-V229 HydrophobicContact CG-CG2 3.5Å; P224-V229 VanDerWaalsContact CG-CG2 3.5Å; D225-V229 WeakPolarHBondContact O-CG2 3.41Å; D225-V229 PolarHBondContact O-N 3.48Å; E226-V229 PolarHBondContact O-N 3.37Å; V229-V232 PolarHBondContact O-N 3.41Å; V229-K233 HydrophobicContact CG1-CD 4.01Å; V229-K233 HydrophobicContact CG1-CG 4.29Å; V229-K233 WeakPolarHBondContact O-CB 3.38Å; V229-K233 VanDerWaalsContact O-CG 3.29Å; V229-K233 WeakPolarHBondContact O-CG 3.29Å; V229-K233 PolarHBondContact O-N 3.36Å |
| 230 | A | 93.9 | Very high | 93.3 | Very high | 56 Ų | 56 | 113.7 Ų | 113.7 | 46% | 0.463 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.3 | -41.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E226 T227 E228 K233 K234 | E226-A230 WeakPolarHBondContact O-CB 3.4Å; E226-A230 PolarHBondContact O-N 2.85Å; T227-A230 PolarHBondContact O-N 3.48Å; E228-A230 VanDerWaalsContact C-N 3.27Å; E228-A230 PolarHBondContact O-N 3.08Å; A230-K233 PolarHBondContact O-N 3.23Å; A230-K234 WeakPolarHBondContact O-CB 3.34Å; A230-K234 PolarHBondContact O-N 2.96Å |
| 231 | K | 95.5 | Very high | 92.9 | Very high | 116 Ų | 116 | 124.2 Ų | 124.2 | 50% | 0.504 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -59.7 | -48.4 | 173.4 | -70.9 | 171.6 | -172.3 | 170.2 | 0 | 111.2 | T227 E228 K234 T235 | T227-K231 WeakPolarHBondContact O-CG 3.48Å; T227-K231 PolarHBondContact O-N 3.08Å; T227-K231 VanDerWaalsContact O-N 3.08Å; E228-K231 WeakPolarHBondContact O-CB 3.41Å; E228-K231 PolarHBondContact O-N 3.09Å; E228-K231 IonicContact OE1-NZ 2.68Å; E228-K231 PolarHBondContact OE1-NZ 3.05Å; E228-K231 WeakPolarHBondContact OE2-CD 3.44Å; E228-K231 IonicContact OE2-NZ 3.48Å; E228-K231 PolarHBondContact OE2-NZ 2.88Å; K231-K234 WeakPolarHBondContact O-CB 3.47Å; K231-K234 PolarHBondContact O-N 3.24Å; K231-T235 PolarHBondContact O-N 3.06Å; K231-T235 PolarHBondContact O-OG1 3.2Å; K231-T235 VanDerWaalsContact O-OG1 3.09Å |
| 232 | V | 94.9 | Very high | 93 | Very high | 79 Ų | 79 | 123.8 Ų | 123.8 | 48% | 0.479 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.5 | -44.6 | 178.2 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | E228 V229 K234 T235 Y236 | E228-V232 WeakPolarHBondContact O-CG2 3.47Å; E228-V232 PolarHBondContact O-N 3.42Å; V229-V232 PolarHBondContact O-N 3.41Å; V232-K234 VanDerWaalsContact C-N 3.28Å; V232-K234 PolarHBondContact O-N 3.34Å; V232-T235 PolarHBondContact O-N 2.99Å; V232-Y236 HydrophobicContact CG1-CD2 3.88Å; V232-Y236 HydrophobicContact CG1-CE2 4.33Å; V232-Y236 WeakPolarHBondContact O-CD2 3.43Å; V232-Y236 PolarHBondContact O-N 3.2Å |
| 233 | K | 94.5 | Very high | 93.1 | Very high | 122 Ų | 122 | 125 Ų | 125 | 53% | 0.53 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -60.2 | -36.9 | 176.6 | -76.9 | 178.7 | 177.3 | 177.5 | 0 | 112.5 | V229 A230 K237 L240 | V229-K233 HydrophobicContact CG1-CD 4.01Å; V229-K233 HydrophobicContact CG1-CG 4.29Å; V229-K233 WeakPolarHBondContact O-CB 3.38Å; V229-K233 VanDerWaalsContact O-CG 3.29Å; V229-K233 WeakPolarHBondContact O-CG 3.29Å; V229-K233 PolarHBondContact O-N 3.36Å; A230-K233 PolarHBondContact O-N 3.23Å; K233-K237 VanDerWaalsContact O-CA 3.31Å; K233-K237 WeakPolarHBondContact O-CA 3.46Å; K233-K237 WeakPolarHBondContact O-CB 3.48Å; K233-K237 PolarHBondContact O-N 2.85Å; K233-K237 VanDerWaalsContact O-N 3.13Å; K233-L240 HydrophobicContact CB-CD1 3.98Å; K233-L240 HydrophobicContact CG-CD1 3.95Å |
| 234 | K | 95 | Very high | 93.3 | Very high | 177 Ų | 177 | 123.1 Ų | 123.1 | 77% | 0.77 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.2 | -45.6 | 175.4 | -175.3 | -179.4 | 178.2 | -178.7 | 0 | 111.4 | A230 K231 V232 | A230-K234 WeakPolarHBondContact O-CB 3.34Å; A230-K234 PolarHBondContact O-N 2.96Å; K231-K234 WeakPolarHBondContact O-CB 3.47Å; K231-K234 PolarHBondContact O-N 3.24Å; V232-K234 VanDerWaalsContact C-N 3.28Å; V232-K234 PolarHBondContact O-N 3.34Å |
| 235 | T | 96 | Very high | 93.3 | Very high | 106 Ų | 106 | 125.5 Ų | 125.5 | 65% | 0.65 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.3 | -43.6 | -178.9 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | K231 V232 | K231-T235 PolarHBondContact O-N 3.06Å; K231-T235 PolarHBondContact O-OG1 3.2Å; K231-T235 VanDerWaalsContact O-OG1 3.09Å; V232-T235 PolarHBondContact O-N 2.99Å |
| 236 | Y | 95.7 | Very high | 93.2 | Very high | 133 Ų | 133 | 125.9 Ų | 125.9 | 52% | 0.522 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.4 | 16.9 | -174.7 | -64.7 | -77.9 | 0 | 0 | 0 | 114.1 | V232 A238 Y239 L240 | V232-Y236 HydrophobicContact CG1-CD2 3.88Å; V232-Y236 HydrophobicContact CG1-CE2 4.33Å; V232-Y236 WeakPolarHBondContact O-CD2 3.43Å; V232-Y236 PolarHBondContact O-N 3.2Å; Y236-A238 PolarHBondContact O-N 2.95Å; Y236-Y239 PolarHBondContact O-N 2.96Å; Y236-L240 WeakPolarHBondContact O-CG 3.31Å; Y236-L240 PolarHBondContact O-N 3.13Å |
| 237 | K | 93.3 | Very high | 93.1 | Very high | 171 Ų | 171 | 122.9 Ų | 122.9 | 74% | 0.743 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.3 | -37 | -170.8 | -175.1 | 179.4 | 177.3 | -177 | 0 | 115.2 | K233 Y239 | K233-K237 VanDerWaalsContact O-CA 3.31Å; K233-K237 WeakPolarHBondContact O-CA 3.46Å; K233-K237 WeakPolarHBondContact O-CB 3.48Å; K233-K237 PolarHBondContact O-N 2.85Å; K233-K237 VanDerWaalsContact O-N 3.13Å; K237-Y239 VanDerWaalsContact C-N 3.33Å |
| 238 | A | 92.6 | Very high | 92.9 | Very high | 87 Ų | 87 | 125.1 Ų | 125.1 | 72% | 0.719 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -13.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y236 | Y236-A238 PolarHBondContact O-N 2.95Š|
| 239 | Y | 91.9 | Very high | 92.9 | Very high | 200 Ų | 200 | 127.8 Ų | 127.8 | 78% | 0.784 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127 | 5.3 | -171 | -53.5 | -75.4 | 0 | 0 | 0 | 113.5 | Y236 K237 | Y236-Y239 PolarHBondContact O-N 2.96Å; K237-Y239 VanDerWaalsContact C-N 3.33Å |
| 240 | L | 90.5 | Very high | 92.7 | Very high | 89 Ų | 89 | 134.7 Ų | 134.7 | 47% | 0.466 | 65% | 0.654 | S | S | . | * | trans | -66.4 | 136.3 | 173.4 | -64.6 | 173.4 | 0 | 0 | 0 | 109.3 | K233 Y236 | K233-L240 HydrophobicContact CB-CD1 3.98Å; K233-L240 HydrophobicContact CG-CD1 3.95Å; Y236-L240 WeakPolarHBondContact O-CG 3.31Å; Y236-L240 PolarHBondContact O-N 3.13Å | ||
| 241 | K | 79 | Confident | 92.6 | Very high | 280 Ų | 280 | 141.8 Ų | 141.8 | 100% | 1.217 | 67% | 0.671 | S | S | * | * | trans | -84.8 | 0 | 171.2 | -69.1 | -176.8 | 179.9 | 178.9 | 0 | 110.8 |
Retrieved 241 of 241 residues in 708.4 ms
(Link to these results)