| 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 | L | 39.3 | Very low | 39.9 | Very low | 233 Ų | 233 | 159 Ų | 159 | 100% | 1.22 | 81% | 0.812 | S | S | * | * | 0 | 92.9 | 0 | -73.4 | 161.3 | 0 | 0 | 0 | 108.2 | |||||
| 2 | G | 36.3 | Very low | 39.4 | Very low | 80 Ų | 80 | 159.8 Ų | 159.8 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -98 | 124.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 3 | Y | 41.3 | Very low | 39.7 | Very low | 216 Ų | 216 | 156.9 Ų | 156.9 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | trans | -86.4 | 112.7 | 173 | 51.8 | -88.3 | 0 | 0 | 0 | 109 | ||||
| 4 | N | 40.4 | Very low | 40 | Very low | 157 Ų | 157 | 156.1 Ų | 156.1 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -100.9 | 97.1 | 173.5 | -148.4 | -47.7 | 0 | 0 | 0 | 107.3 | Q6 | N4-Q6 PolarHBondContact O-N 3.49Š| ||
| 5 | L | 45.7 | Very low | 40.1 | Very low | 124 Ų | 124 | 157.1 Ų | 157.1 | 65% | 0.649 | 82% | 0.817 | S | S | * | * | trans | -82.8 | 86.1 | -175.9 | -137.4 | 76 | 0 | 0 | 0 | 109.5 | Y7 | L5-Y7 WeakPolarHBondContact O-CD2 3.19Å; L5-Y7 PolarHBondContact O-N 3.29Å | ||
| 6 | Q | 44.2 | Very low | 40.5 | Very low | 159 Ų | 159 | 153.9 Ų | 153.9 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | trans | -70.3 | 111 | 177.1 | -169.8 | -169.2 | 88.1 | 0 | 0 | 109.7 | N4 Q8 | N4-Q6 PolarHBondContact O-N 3.49Å; Q6-Q8 PolarHBondContact O-N 3.25Å | ||
| 7 | Y | 40.8 | Very low | 40.8 | Very low | 191 Ų | 191 | 151.4 Ų | 151.4 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | -75.7 | 91.6 | 172.7 | -70.9 | -85.8 | 0 | 0 | 0 | 110 | L5 W9 | L5-Y7 WeakPolarHBondContact O-CD2 3.19Å; L5-Y7 PolarHBondContact O-N 3.29Å; Y7-W9 PolarHBondContact O-N 3.23Å | ||
| 8 | Q | 39.7 | Very low | 40.7 | Very low | 143 Ų | 143 | 152.8 Ų | 152.8 | 67% | 0.668 | 82% | 0.816 | S | S | * | * | trans | -72.7 | 104.3 | 168.3 | -178.3 | 63.6 | 61.2 | 0 | 0 | 109 | Q6 S10 | Q6-Q8 PolarHBondContact O-N 3.25Å; Q8-S10 PolarHBondContact O-N 3.02Å | ||
| 9 | W | 37.2 | Very low | 40.5 | Very low | 227 Ų | 227 | 150.6 Ų | 150.6 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 120.4 | 163.5 | -71.9 | -45.2 | 0 | 0 | 0 | 108.7 | Y7 | Y7-W9 PolarHBondContact O-N 3.23Š|
| 10 | S | 36.9 | Very low | 40.7 | Very low | 108 Ų | 108 | 149 Ų | 149 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 124.3 | 170.2 | -62.7 | 0 | 0 | 0 | 0 | 109.4 | Q8 | Q8-S10 PolarHBondContact O-N 3.02Š|
| 11 | S | 37.1 | Very low | 40.9 | Very low | 111 Ų | 111 | 147.3 Ų | 147.3 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 125.6 | 167.2 | -57.5 | 0 | 0 | 0 | 0 | 109.4 | T13 | S11-T13 PolarHBondContact O-N 3.21Š|
| 12 | D | 33.8 | Very low | 41 | Very low | 169 Ų | 169 | 145.5 Ų | 145.5 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | trans | -70.8 | 112.6 | 164.7 | -77.6 | -62.5 | 0 | 0 | 0 | 109 | ||||
| 13 | T | 43.1 | Very low | 41.2 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -83.7 | 133.1 | 173.3 | -59 | 0 | 0 | 0 | 0 | 109.8 | S11 L15 | S11-T13 PolarHBondContact O-N 3.21Å; T13-L15 PolarHBondContact O-N 3.44Å | ||
| 14 | D | 43.9 | Very low | 41.1 | Very low | 146 Ų | 146 | 144.8 Ų | 144.8 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | -51.4 | 124.7 | 174.6 | -73.6 | -71.9 | 0 | 0 | 0 | 112.8 | ||||
| 15 | L | 41.6 | Very low | 41.2 | Very low | 171 Ų | 171 | 142.9 Ų | 142.9 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -114.7 | 66.2 | 165.4 | -69.8 | -177.5 | 0 | 0 | 0 | 110.7 | T13 S17 | T13-L15 PolarHBondContact O-N 3.44Å; L15-S17 PolarHBondContact O-N 3.49Å; L15-S17 VanDerWaalsContact O-N 3.09Å | ||
| 16 | S | 46.2 | Very low | 41.3 | Very low | 105 Ų | 105 | 142 Ų | 142 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -75.2 | 83.9 | 165.8 | 56.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 17 | S | 46.1 | Very low | 41.4 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | 177.3 | 108.3 | 153.4 | -82.9 | 0 | 0 | 0 | 0 | 112.6 | L15 | L15-S17 PolarHBondContact O-N 3.49Å; L15-S17 VanDerWaalsContact O-N 3.09Å | ||
| 18 | I | 39.2 | Very low | 41.6 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 91% | 0.908 | 80% | 0.801 | S | S | * | * | -152.1 | 157 | 127.9 | 49.1 | 170.7 | 0 | 0 | 0 | 109.9 | |||||
| 19 | S | 37.5 | Very low | 41.7 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 144.4 | -163.9 | 51.2 | 0 | 0 | 0 | 0 | 117.4 | ||
| 20 | S | 44 | Very low | 41.8 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 142.3 | 153 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 21 | P | 45.6 | Very low | 42.1 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 128.4 | 157.6 | 33.2 | -26.7 | 0 | 0 | 0 | 111 | ||
| 22 | E | 39.8 | Very low | 42.2 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 124.4 | 165.7 | -70.7 | 164.1 | 90.5 | 0 | 0 | 110.3 | ||
| 23 | T | 41.5 | Very low | 43.1 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | -145.4 | 106.1 | 160.2 | 35.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 24 | L | 39.1 | Very low | 42.8 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | 51 | 113.9 | 141.3 | -51.9 | -179.3 | 0 | 0 | 0 | 119.7 | ||||
| 25 | S | 41.7 | Very low | 42.8 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -60 | 135.4 | 161 | -55.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 26 | P | 49.6 | Very low | 42.9 | Very low | 105 Ų | 105 | 130 Ų | 130 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | trans | -92.9 | 118.8 | 152.6 | 31.3 | -24.3 | 0 | 0 | 0 | 109.8 | L28 | P26-L28 PolarHBondContact O-N 3.34Š| ||
| 27 | V | 46 | Very low | 42.5 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | -71.2 | 105 | 165.8 | 178.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 28 | L | 43.9 | Very low | 42.3 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -95.5 | 110.6 | 168.4 | -68.8 | -177.2 | 0 | 0 | 0 | 109.8 | P26 | P26-L28 PolarHBondContact O-N 3.34Š| ||
| 29 | S | 42.5 | Very low | 42.3 | Very low | 93 Ų | 93 | 137 Ų | 137 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | trans | -107.1 | 160 | 174 | -167.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 30 | M | 39.6 | Very low | 42.5 | Very low | 162 Ų | 162 | 140 Ų | 140 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | 77.7 | 116.9 | 170.3 | -59.5 | -74.1 | 82.9 | 0 | 0 | 119.3 | ||||
| 31 | D | 41.7 | Very low | 42.4 | Very low | 118 Ų | 118 | 140 Ų | 140 | 63% | 0.631 | 78% | 0.777 | S | S | * | * | trans | 46.8 | 116.5 | 130.1 | -164.1 | 17.2 | 0 | 0 | 0 | 120.4 | S33 | D31-S33 PolarHBondContact OD1-N 2.62Å; D31-S33 PolarHBondContact OD1-OG 3.33Å | ||
| 32 | S | 40.9 | Very low | 42.5 | Very low | 103 Ų | 103 | 139.4 Ų | 139.4 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | -148.6 | 85.2 | 139.8 | -87.1 | 0 | 0 | 0 | 0 | 110.3 | F34 | S32-F34 PolarHBondContact O-N 3.39Š| ||
| 33 | S | 51.6 | Low | 42.3 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | trans | -71.4 | 92.6 | 165 | 41.7 | 0 | 0 | 0 | 0 | 111.5 | D31 | D31-S33 PolarHBondContact OD1-N 2.62Å; D31-S33 PolarHBondContact OD1-OG 3.33Å | ||
| 34 | F | 36.4 | Very low | 42.1 | Very low | 186 Ų | 186 | 138.4 Ų | 138.4 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | -120.2 | 118.5 | 167.9 | -71.5 | -73 | 0 | 0 | 0 | 111.8 | S32 | S32-F34 PolarHBondContact O-N 3.39Š| ||
| 35 | S | 43.8 | Very low | 42.2 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | -76.6 | 156.9 | -173 | -73.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 36 | P | 45.1 | Very low | 42.3 | Very low | 125 Ų | 125 | 136 Ų | 136 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -73.7 | 143.7 | 178.4 | 31.5 | -35.8 | 0 | 0 | 0 | 111.8 | ||||
| 37 | N | 37 | Very low | 41.8 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 69% | 0.69 | 77% | 0.771 | S | S | * | * | trans | -124.3 | 100.5 | 171.5 | -174.5 | 2.9 | 0 | 0 | 0 | 110.6 | ||||
| 38 | Y | 42.5 | Very low | 41.5 | Very low | 231 Ų | 231 | 138.6 Ų | 138.6 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | trans | -132.3 | 127 | 154.9 | -78.9 | -78.2 | 0 | 0 | 0 | 108 | ||||
| 39 | Q | 39.5 | Very low | 41.6 | Very low | 180 Ų | 180 | 135.5 Ų | 135.5 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | trans | -71.7 | 137.2 | -171.8 | -61.7 | 171 | 2.2 | 0 | 0 | 111.4 | ||||
| 40 | Q | 41.5 | Very low | 41.7 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -91.3 | 157.6 | 158.5 | -75.7 | -149.8 | -33.3 | 0 | 0 | 110.2 | ||||
| 41 | P | 41.3 | Very low | 41.4 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | -149.1 | 179 | 97.8 | 37.8 | -20 | 0 | 0 | 0 | 114 | |||||
| 42 | P | 47.9 | Very low | 41.7 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 66% | 0.662 | 79% | 0.789 | S | S | * | * | cis | -138.5 | 161.6 | -44.5 | 39.1 | -23.7 | 0 | 0 | 0 | 115.3 | ||||
| 43 | Q | 34.7 | Very low | 41.8 | Very low | 171 Ų | 171 | 144.4 Ų | 144.4 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | 62.6 | 107.5 | 144.8 | -60.2 | -93.2 | -12.5 | 0 | 0 | 121.3 | ||||
| 44 | S | 37.3 | Very low | 41.2 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | -164.1 | 146.1 | 115 | 42.1 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 45 | T | 41.5 | Very low | 41.9 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | trans | -105.9 | 173.1 | 178.4 | 56.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 46 | P | 44.4 | Very low | 42.5 | Very low | 103 Ų | 103 | 142.1 Ų | 142.1 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | cis | -154.8 | -172.3 | 28.4 | 47 | -25.5 | 0 | 0 | 0 | 119.8 | ||||
| 47 | K | 37.7 | Very low | 42.2 | Very low | 195 Ų | 195 | 141.1 Ų | 141.1 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | 79.8 | 110.1 | 153.6 | -78.4 | 168.3 | -176.7 | 177.6 | 0 | 118.9 | ||||
| 48 | A | 40.9 | Very low | 42.7 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | -66.4 | 141 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 49 | A | 46.8 | Very low | 43.5 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -120.8 | 121.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 50 | K | 42.9 | Very low | 44.2 | Very low | 200 Ų | 200 | 133.2 Ų | 133.2 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | -86.2 | 127.5 | 176.5 | -51.7 | 169.3 | -170.3 | 174.3 | 0 | 107 | ||||
| 51 | C | 33.8 | Very low | 44.3 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 90% | 0.899 | 79% | 0.791 | S | S | * | * | trans | -129.4 | 117.2 | 165.3 | -145.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 52 | L | 47.3 | Very low | 44.6 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 73% | 0.728 | 80% | 0.801 | S | S | * | * | trans | -93.9 | 143.8 | -176.7 | -69.4 | 169.2 | 0 | 0 | 0 | 110.3 | ||||
| 53 | K | 43.5 | Very low | 44.6 | Very low | 191 Ų | 191 | 132.6 Ų | 132.6 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | trans | 44.1 | 111.3 | 157.6 | -78.8 | 93.7 | 171.3 | -172.2 | 0 | 118.2 | ||||
| 54 | S | 39 | Very low | 45.6 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | -155.5 | 139.7 | 125.8 | 58.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 55 | S | 52.2 | Low | 46.6 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | trans | 65.9 | 105.5 | 167.6 | -160 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 56 | P | 55.6 | Low | 47.2 | Very low | 129 Ų | 129 | 139 Ų | 139 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -110.9 | 75.9 | 147.5 | 36.4 | -24.9 | 0 | 0 | 0 | 110.3 | ||||
| 57 | C | 38.9 | Very low | 47.8 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 70% | 0.703 | 78% | 0.782 | S | S | * | * | trans | -142 | 103.2 | 179.2 | -87.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 58 | S | 47.9 | Very low | 48.9 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | -163.6 | 117.2 | 136.7 | -83.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 59 | P | 59.4 | Low | 49.9 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | trans | -74.8 | 166.6 | 173.8 | 31 | -34.2 | 0 | 0 | 0 | 112.2 | G61 | P59-G61 PolarHBondContact O-N 2.92Š| ||
| 60 | P | 54.6 | Low | 51 | Low | 137 Ų | 137 | 134.5 Ų | 134.5 | 89% | 0.89 | 75% | 0.754 | S | S | * | * | trans | -71.6 | 91.6 | -170.7 | 28.1 | -35.8 | 0 | 0 | 0 | 113.7 | R62 | P60-R62 PolarHBondContact O-N 3.21Š| ||
| 61 | G | 42.3 | Very low | 52.4 | Low | 71 Ų | 71 | 133 Ų | 133 | 73% | 0.732 | 74% | 0.743 | S | S | * | * | trans | -82.2 | 109.9 | 180 | 0 | 0 | 0 | 0 | 0 | 115 | P59 | P59-G61 PolarHBondContact O-N 2.92Š| ||
| 62 | R | 48.5 | Very low | 54.3 | Low | 254 Ų | 254 | 131.5 Ų | 131.5 | 96% | 0.958 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 33.5 | 97.9 | 151.4 | -67.3 | -179 | 176.7 | -123.6 | -2.9 | 118.4 | P60 | P60-R62 PolarHBondContact O-N 3.21Š|
| 63 | G | 47 | Very low | 55.9 | Low | 56 Ų | 56 | 134 Ų | 134 | 58% | 0.577 | 73% | 0.725 | S | S | * | * | trans | -170.1 | 26.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | K65 | G63-K65 PolarHBondContact O-N 3.21Š| ||
| 64 | R | 56.6 | Low | 57.9 | Low | 256 Ų | 256 | 127 Ų | 127 | 97% | 0.966 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 63.3 | -174.6 | -66.1 | 176.4 | 85.3 | -150.8 | 12.5 | 114.2 | ||
| 65 | K | 57 | Low | 60.3 | Low | 184 Ų | 184 | 128.3 Ų | 128.3 | 80% | 0.8 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.9 | -44.1 | 170.5 | -65.3 | -171.2 | 179.7 | -178.9 | 0 | 113.7 | G63 G67 R68 | G63-K65 PolarHBondContact O-N 3.21Å; K65-G67 PolarHBondContact O-N 2.99Å; K65-R68 PolarHBondContact O-N 3.37Å |
| 66 | T | 54.6 | Low | 62.3 | Low | 112 Ų | 112 | 129.8 Ų | 129.8 | 69% | 0.687 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -64.3 | -42.5 | -178.1 | 46.9 | 0 | 0 | 0 | 0 | 113.4 | R68 S69 T70 | T66-R68 PolarHBondContact O-N 3.16Å; T66-R68 VanDerWaalsContact O-N 3.15Å; T66-S69 PolarHBondContact O-N 3.15Å; T66-T70 PolarHBondContact O-N 3.47Å; T66-T70 PolarHBondContact O-OG1 3.24Å |
| 67 | G | 57.2 | Low | 64.2 | Low | 32 Ų | 32 | 133.4 Ų | 133.4 | 33% | 0.33 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -67.8 | -9.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | K65 R71 | K65-G67 PolarHBondContact O-N 2.99Å; G67-R71 WeakPolarHBondContact O-CG 3.39Å; G67-R71 PolarHBondContact O-NE 3Å; G67-R71 PolarHBondContact O-NH2 3.3Å |
| 68 | R | 60.3 | Low | 66.9 | Low | 189 Ų | 189 | 133.6 Ų | 133.6 | 71% | 0.713 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -80 | -44.1 | 173.7 | -166.9 | 177 | -177.6 | 179.2 | 0.1 | 110.8 | K65 T66 R71 I72 | K65-R68 PolarHBondContact O-N 3.37Å; T66-R68 PolarHBondContact O-N 3.16Å; T66-R68 VanDerWaalsContact O-N 3.15Å; R68-R71 PolarHBondContact O-N 3.13Å; R68-I72 HydrophobicContact CG-CD1 3.98Å; R68-I72 VanDerWaalsContact O-CG1 3.3Å; R68-I72 WeakPolarHBondContact O-CG1 3.34Å; R68-I72 PolarHBondContact O-N 3.34Å |
| 69 | S | 62.4 | Low | 69.2 | Low | 85 Ų | 85 | 131.5 Ų | 131.5 | 59% | 0.594 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -61 | -49.3 | 177.5 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | T66 R71 I72 R73 | T66-S69 PolarHBondContact O-N 3.15Å; S69-R71 VanDerWaalsContact C-N 3.31Å; S69-R71 PolarHBondContact O-N 3.47Å; S69-I72 PolarHBondContact O-N 3.32Å; S69-I72 VanDerWaalsContact O-N 3.12Å; S69-R73 PolarHBondContact O-N 2.81Å |
| 70 | T | 69.1 | Low | 71 | Confident | 96 Ų | 96 | 128.7 Ų | 128.7 | 59% | 0.589 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -61.1 | -36.8 | 179.8 | -43.7 | 0 | 0 | 0 | 0 | 113 | T66 R73 S74 | T66-T70 PolarHBondContact O-N 3.47Å; T66-T70 PolarHBondContact O-OG1 3.24Å; T70-R73 PolarHBondContact O-N 2.88Å; T70-S74 PolarHBondContact O-N 2.89Å |
| 71 | R | 72.8 | Confident | 73.1 | Confident | 169 Ų | 169 | 125.8 Ų | 125.8 | 64% | 0.638 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -76 | -28.2 | 176.2 | -74.4 | -177.8 | -66.7 | -168.9 | 2 | 113.7 | G67 R68 S69 S74 K75 | G67-R71 WeakPolarHBondContact O-CG 3.39Å; G67-R71 PolarHBondContact O-NE 3Å; G67-R71 PolarHBondContact O-NH2 3.3Å; R68-R71 PolarHBondContact O-N 3.13Å; S69-R71 VanDerWaalsContact C-N 3.31Å; S69-R71 PolarHBondContact O-N 3.47Å; R71-S74 PolarHBondContact O-OG 3.21Å; R71-K75 WeakPolarHBondContact O-CB 3.47Å; R71-K75 WeakPolarHBondContact O-CG 3.46Å; R71-K75 PolarHBondContact O-N 3.31Å; R71-K75 VanDerWaalsContact O-N 3.11Å |
| 72 | I | 73.8 | Confident | 75.7 | Confident | 101 Ų | 101 | 127 Ų | 127 | 52% | 0.518 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67.8 | -44.3 | 169.6 | -68.8 | 163.9 | 0 | 0 | 0 | 109.2 | R68 S69 S74 K75 Q76 | R68-I72 HydrophobicContact CG-CD1 3.98Å; R68-I72 VanDerWaalsContact O-CG1 3.3Å; R68-I72 WeakPolarHBondContact O-CG1 3.34Å; R68-I72 PolarHBondContact O-N 3.34Å; S69-I72 PolarHBondContact O-N 3.32Å; S69-I72 VanDerWaalsContact O-N 3.12Å; I72-S74 PolarHBondContact O-N 3.41Å; I72-K75 PolarHBondContact O-N 2.71Å; I72-Q76 WeakPolarHBondContact O-CB 3.18Å; I72-Q76 PolarHBondContact O-N 2.87Å |
| 73 | R | 82 | Confident | 78.1 | Confident | 192 Ų | 192 | 122.7 Ų | 122.7 | 73% | 0.725 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.4 | -37.9 | 175.2 | -171.9 | 178.9 | 179.5 | -170.5 | 0.5 | 112.9 | S69 T70 Q76 R77 | S69-R73 PolarHBondContact O-N 2.81Å; T70-R73 PolarHBondContact O-N 2.88Å; R73-Q76 PolarHBondContact O-N 3.41Å; R73-R77 WeakPolarHBondContact O-CB 3.25Å; R73-R77 PolarHBondContact O-N 2.97Å |
| 74 | S | 84 | Confident | 80.5 | Confident | 45 Ų | 45 | 123.7 Ų | 123.7 | 32% | 0.315 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.4 | -49.3 | 175.7 | 84 | 0 | 0 | 0 | 0 | 110.8 | T70 R71 I72 Q76 R77 E78 | T70-S74 PolarHBondContact O-N 2.89Å; R71-S74 PolarHBondContact O-OG 3.21Å; I72-S74 PolarHBondContact O-N 3.41Å; S74-Q76 VanDerWaalsContact C-N 3.28Å; S74-Q76 PolarHBondContact O-N 3.16Å; S74-R77 CarbonylContact O-C 3.56Å; S74-R77 WeakPolarHBondContact O-CA 3.08Å; S74-R77 WeakPolarHBondContact O-CB 3.38Å; S74-R77 PolarHBondContact O-N 3.26Å; S74-E78 WeakPolarHBondContact CB-OE1 3.49Å; S74-E78 VanDerWaalsContact O-CG 3.28Å; S74-E78 WeakPolarHBondContact O-CG 3.41Å; S74-E78 PolarHBondContact O-N 3.37Å; S74-E78 PolarHBondContact OG-OE1 3.48Å; S74-E78 VanDerWaalsContact OG-OE1 3.05Å |
| 75 | K | 89.6 | Confident | 82.5 | Confident | 146 Ų | 146 | 117.2 Ų | 117.2 | 64% | 0.635 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59 | -36.3 | 175.7 | -74 | -171 | 171.8 | -150.2 | 0 | 113.5 | R71 I72 E78 S79 | R71-K75 WeakPolarHBondContact O-CB 3.47Å; R71-K75 WeakPolarHBondContact O-CG 3.46Å; R71-K75 PolarHBondContact O-N 3.31Å; R71-K75 VanDerWaalsContact O-N 3.11Å; I72-K75 PolarHBondContact O-N 2.71Å; K75-E78 PolarHBondContact O-N 3.46Å; K75-S79 PolarHBondContact O-N 2.9Å; K75-S79 PolarHBondContact O-OG 2.74Å |
| 76 | Q | 93.8 | Very high | 84.5 | Confident | 131 Ų | 131 | 112.4 Ų | 112.4 | 61% | 0.612 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.1 | -36.8 | 173.6 | -171.5 | -177.5 | 10.6 | 0 | 0 | 112.2 | I72 R73 S74 S79 A80 | I72-Q76 WeakPolarHBondContact O-CB 3.18Å; I72-Q76 PolarHBondContact O-N 2.87Å; R73-Q76 PolarHBondContact O-N 3.41Å; S74-Q76 VanDerWaalsContact C-N 3.28Å; S74-Q76 PolarHBondContact O-N 3.16Å; Q76-S79 PolarHBondContact O-OG 3.37Å; Q76-A80 VanDerWaalsContact O-CB 3.26Å; Q76-A80 WeakPolarHBondContact O-CB 3.34Å; Q76-A80 PolarHBondContact O-N 2.88Å |
| 77 | R | 96 | Very high | 86.6 | Confident | 204 Ų | 204 | 114.5 Ų | 114.5 | 77% | 0.77 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -68.9 | -40.4 | 173.7 | -173.9 | -178.4 | -179.6 | -173.3 | 0.2 | 111.5 | R73 S74 S81 | R73-R77 WeakPolarHBondContact O-CB 3.25Å; R73-R77 PolarHBondContact O-N 2.97Å; S74-R77 CarbonylContact O-C 3.56Å; S74-R77 WeakPolarHBondContact O-CA 3.08Å; S74-R77 WeakPolarHBondContact O-CB 3.38Å; S74-R77 PolarHBondContact O-N 3.26Å; R77-S81 WeakPolarHBondContact O-CB 3.35Å; R77-S81 PolarHBondContact O-N 3.02Å |
| 78 | E | 96.4 | Very high | 88.6 | Confident | 109 Ų | 109 | 116.2 Ų | 116.2 | 51% | 0.509 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.3 | -50 | 175.6 | -69.1 | 151 | -144.1 | 0 | 0 | 110.8 | S74 K75 A80 S81 E82 | S74-E78 WeakPolarHBondContact CB-OE1 3.49Å; S74-E78 VanDerWaalsContact O-CG 3.28Å; S74-E78 WeakPolarHBondContact O-CG 3.41Å; S74-E78 PolarHBondContact O-N 3.37Å; S74-E78 PolarHBondContact OG-OE1 3.48Å; S74-E78 VanDerWaalsContact OG-OE1 3.05Å; K75-E78 PolarHBondContact O-N 3.46Å; E78-A80 PolarHBondContact O-N 3.48Å; E78-S81 WeakPolarHBondContact O-CB 3.47Å; E78-S81 PolarHBondContact O-N 3.39Å; E78-S81 VanDerWaalsContact O-N 3.12Å; E78-E82 PolarHBondContact O-N 3.38Å |
| 79 | S | 96.4 | Very high | 90.4 | Very high | 75 Ų | 75 | 113.2 Ų | 113.2 | 52% | 0.524 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.8 | -36.2 | 178.5 | 67.2 | 0 | 0 | 0 | 0 | 113.1 | K75 Q76 S81 K83 | K75-S79 PolarHBondContact O-N 2.9Å; K75-S79 PolarHBondContact O-OG 2.74Å; Q76-S79 PolarHBondContact O-OG 3.37Å; S79-S81 VanDerWaalsContact C-N 3.33Å; S79-K83 WeakPolarHBondContact O-CB 3.32Å; S79-K83 PolarHBondContact O-N 3.47Å |
| 80 | A | 96.8 | Very high | 92.1 | Very high | 59 Ų | 59 | 112.5 Ų | 112.5 | 49% | 0.488 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.8 | -38 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q76 E78 K83 E84 | Q76-A80 VanDerWaalsContact O-CB 3.26Å; Q76-A80 WeakPolarHBondContact O-CB 3.34Å; Q76-A80 PolarHBondContact O-N 2.88Å; E78-A80 PolarHBondContact O-N 3.48Å; A80-K83 PolarHBondContact O-N 3.34Å; A80-E84 WeakPolarHBondContact O-CB 3.46Å; A80-E84 PolarHBondContact O-N 3.19Å |
| 81 | S | 97.9 | Very high | 93.5 | Very high | 76 Ų | 76 | 112.1 Ų | 112.1 | 53% | 0.531 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.7 | -41.6 | 177.8 | -165.7 | 0 | 0 | 0 | 0 | 112.5 | R77 E78 S79 E84 K85 | R77-S81 WeakPolarHBondContact O-CB 3.35Å; R77-S81 PolarHBondContact O-N 3.02Å; E78-S81 WeakPolarHBondContact O-CB 3.47Å; E78-S81 PolarHBondContact O-N 3.39Å; E78-S81 VanDerWaalsContact O-N 3.12Å; S79-S81 VanDerWaalsContact C-N 3.33Å; S81-E84 PolarHBondContact O-N 3.27Å; S81-K85 WeakPolarHBondContact O-CB 3.33Å; S81-K85 PolarHBondContact O-N 3.3Å |
| 82 | E | 98.3 | Very high | 94.7 | Very high | 97 Ų | 97 | 106.7 Ų | 106.7 | 45% | 0.453 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 173.6 | -78.3 | -63.5 | 124.5 | 0 | 0 | 111.7 | E78 E84 K85 L86 | E78-E82 PolarHBondContact O-N 3.38Å; E82-E84 PolarHBondContact O-N 3.37Å; E82-K85 WeakPolarHBondContact O-CB 3.43Å; E82-K85 PolarHBondContact O-N 2.93Å; E82-K85 WeakPolarHBondContact OE1-CD 3.45Å; E82-K85 IonicContact OE1-NZ 2.79Å; E82-K85 PolarHBondContact OE1-NZ 2.87Å; E82-K85 WeakPolarHBondContact OE2-CD 3.43Å; E82-K85 IonicContact OE2-NZ 2.7Å; E82-K85 PolarHBondContact OE2-NZ 3.43Å; E82-L86 WeakPolarHBondContact O-CG 3.29Å; E82-L86 PolarHBondContact O-N 3.21Å |
| 83 | K | 98.3 | Very high | 95.9 | Very high | 163 Ų | 163 | 107.2 Ų | 107.2 | 71% | 0.709 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.4 | -43.6 | 172.3 | -173.6 | 178.9 | 179.9 | -180 | 0 | 112 | S79 A80 L86 R87 | S79-K83 WeakPolarHBondContact O-CB 3.32Å; S79-K83 PolarHBondContact O-N 3.47Å; A80-K83 PolarHBondContact O-N 3.34Å; K83-L86 PolarHBondContact O-N 3.01Å; K83-R87 PolarHBondContact O-N 3.04Å |
| 84 | E | 98.4 | Very high | 96.6 | Very high | 76 Ų | 76 | 100.9 Ų | 100.9 | 36% | 0.355 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.9 | -39 | 177.7 | -179.9 | 58.5 | -167.8 | 0 | 0 | 112.3 | A80 S81 E82 L86 R87 M88 | A80-E84 WeakPolarHBondContact O-CB 3.46Å; A80-E84 PolarHBondContact O-N 3.19Å; S81-E84 PolarHBondContact O-N 3.27Å; E82-E84 PolarHBondContact O-N 3.37Å; E84-L86 VanDerWaalsContact C-N 3.33Å; E84-L86 PolarHBondContact O-N 3.03Å; E84-R87 WeakPolarHBondContact O-CB 3.33Å; E84-R87 PolarHBondContact O-N 3.25Å; E84-R87 IonicContact OE1-CZ 2.7Å; E84-R87 IonicContact OE1-NH1 3.62Å; E84-R87 PolarHBondContact OE1-NH1 3.36Å; E84-R87 WeakPolarHBondContact OE2-CD 3.3Å; E84-R87 IonicContact OE2-CZ 3.97Å; E84-R87 IonicContact OE2-NE 2.69Å; E84-R87 IonicContact OE2-NH1 3.68Å; E84-R87 PolarHBondContact OE2-NH1 2.91Å; E84-M88 HydrophobicContact CG-CG 4.48Å; E84-M88 WeakPolarHBondContact O-CB 3.3Å; E84-M88 WeakPolarHBondContact O-CG 3.39Å; E84-M88 PolarHBondContact O-N 2.99Å |
| 85 | K | 98.4 | Very high | 97.3 | Very high | 121 Ų | 121 | 100 Ų | 100 | 53% | 0.526 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59 | -41.9 | 172.8 | 174.8 | -169.8 | 175 | -164.9 | 0 | 111.9 | S81 E82 M88 R89 | S81-K85 WeakPolarHBondContact O-CB 3.33Å; S81-K85 PolarHBondContact O-N 3.3Å; E82-K85 WeakPolarHBondContact O-CB 3.43Å; E82-K85 PolarHBondContact O-N 2.93Å; E82-K85 WeakPolarHBondContact OE1-CD 3.45Å; E82-K85 IonicContact OE1-NZ 2.79Å; E82-K85 PolarHBondContact OE1-NZ 2.87Å; E82-K85 WeakPolarHBondContact OE2-CD 3.43Å; E82-K85 IonicContact OE2-NZ 2.7Å; E82-K85 PolarHBondContact OE2-NZ 3.43Å; K85-M88 PolarHBondContact O-N 2.98Å; K85-R89 WeakPolarHBondContact O-CB 3.33Å; K85-R89 PolarHBondContact O-N 3.24Å |
| 86 | L | 98.5 | Very high | 97.6 | Very high | 82 Ų | 82 | 98.5 Ų | 98.5 | 43% | 0.429 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 173.2 | -69.5 | 174.6 | 0 | 0 | 0 | 111.8 | E82 K83 E84 M88 R89 D90 | E82-L86 WeakPolarHBondContact O-CG 3.29Å; E82-L86 PolarHBondContact O-N 3.21Å; K83-L86 PolarHBondContact O-N 3.01Å; E84-L86 VanDerWaalsContact C-N 3.33Å; E84-L86 PolarHBondContact O-N 3.03Å; L86-M88 VanDerWaalsContact C-N 3.3Å; L86-M88 PolarHBondContact O-N 3.33Å; L86-R89 WeakPolarHBondContact O-CB 3.48Å; L86-R89 PolarHBondContact O-N 3.17Å; L86-R89 VanDerWaalsContact O-N 3.15Å; L86-D90 PolarHBondContact O-N 3Å |
| 87 | R | 98.5 | Very high | 97.8 | Very high | 156 Ų | 156 | 97.4 Ų | 97.4 | 59% | 0.589 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -55 | -44 | 173.4 | 171.4 | 176.8 | 160.1 | -111.2 | -12.9 | 112 | K83 E84 D90 L91 | K83-R87 PolarHBondContact O-N 3.04Å; E84-R87 WeakPolarHBondContact O-CB 3.33Å; E84-R87 PolarHBondContact O-N 3.25Å; E84-R87 IonicContact OE1-CZ 2.7Å; E84-R87 IonicContact OE1-NH1 3.62Å; E84-R87 PolarHBondContact OE1-NH1 3.36Å; E84-R87 WeakPolarHBondContact OE2-CD 3.3Å; E84-R87 IonicContact OE2-CZ 3.97Å; E84-R87 IonicContact OE2-NE 2.69Å; E84-R87 IonicContact OE2-NH1 3.68Å; E84-R87 PolarHBondContact OE2-NH1 2.91Å; R87-D90 PolarHBondContact O-N 2.95Å; R87-L91 WeakPolarHBondContact O-CB 3.34Å; R87-L91 PolarHBondContact O-N 2.91Å |
| 88 | M | 98.8 | Very high | 97.8 | Very high | 68 Ų | 68 | 90.2 Ų | 90.2 | 34% | 0.335 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70.4 | -33.9 | 178.7 | -76 | -59.8 | -59.8 | 0 | 0 | 113.1 | E84 K85 L86 L91 T92 | E84-M88 HydrophobicContact CG-CG 4.48Å; E84-M88 WeakPolarHBondContact O-CB 3.3Å; E84-M88 WeakPolarHBondContact O-CG 3.39Å; E84-M88 PolarHBondContact O-N 2.99Å; K85-M88 PolarHBondContact O-N 2.98Å; L86-M88 VanDerWaalsContact C-N 3.3Å; L86-M88 PolarHBondContact O-N 3.33Å; M88-L91 HydrophobicContact CE-CD2 4.25Å; M88-L91 HydrophobicContact SD-CD2 3.96Å; M88-T92 WeakPolarHBondContact O-CB 3.31Å; M88-T92 PolarHBondContact O-N 3.2Å; M88-T92 PolarHBondContact O-OG1 2.88Å |
| 89 | R | 98.5 | Very high | 97.8 | Very high | 126 Ų | 126 | 86.8 Ų | 86.8 | 48% | 0.475 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.9 | -46.8 | 170.8 | -174.6 | -167.6 | 69.7 | 174.4 | -3.6 | 110.6 | K85 L86 T92 K93 | K85-R89 WeakPolarHBondContact O-CB 3.33Å; K85-R89 PolarHBondContact O-N 3.24Å; L86-R89 WeakPolarHBondContact O-CB 3.48Å; L86-R89 PolarHBondContact O-N 3.17Å; L86-R89 VanDerWaalsContact O-N 3.15Å; R89-T92 WeakPolarHBondContact O-CB 3.25Å; R89-T92 PolarHBondContact O-N 3.15Å; R89-T92 VanDerWaalsContact O-N 3.13Å; R89-K93 WeakPolarHBondContact O-CG 3.4Å; R89-K93 PolarHBondContact O-N 2.86Å |
| 90 | D | 98.6 | Very high | 97.8 | Very high | 71 Ų | 71 | 87.4 Ų | 87.4 | 38% | 0.38 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -74 | -33.6 | -175.5 | -59.8 | -25.2 | 0 | 0 | 0 | 111.7 | L86 R87 T92 K93 A94 | L86-D90 PolarHBondContact O-N 3Å; R87-D90 PolarHBondContact O-N 2.95Å; D90-T92 VanDerWaalsContact C-N 3.31Å; D90-T92 PolarHBondContact O-N 3.4Å; D90-K93 PolarHBondContact O-N 3.44Å; D90-K93 IonicContact OD1-NZ 3.29Å; D90-K93 PolarHBondContact OD1-NZ 3.37Å; D90-A94 WeakPolarHBondContact O-CB 3.5Å; D90-A94 PolarHBondContact O-N 3.37Å |
| 91 | L | 98.4 | Very high | 97.7 | Very high | 88 Ų | 88 | 91.4 Ų | 91.4 | 46% | 0.461 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.5 | -40.6 | 165 | 175.7 | 61.5 | 0 | 0 | 0 | 112.2 | R87 M88 A94 L95 | R87-L91 WeakPolarHBondContact O-CB 3.34Å; R87-L91 PolarHBondContact O-N 2.91Å; M88-L91 HydrophobicContact CE-CD2 4.25Å; M88-L91 HydrophobicContact SD-CD2 3.96Å; L91-A94 PolarHBondContact O-N 3.08Å; L91-L95 WeakPolarHBondContact O-CB 3.31Å; L91-L95 PolarHBondContact O-N 3.4Å |
| 92 | T | 97.8 | Very high | 97.6 | Very high | 54 Ų | 54 | 88.3 Ų | 88.3 | 33% | 0.331 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.7 | -41 | 179.2 | -57 | 0 | 0 | 0 | 0 | 111.3 | M88 R89 D90 L95 H96 | M88-T92 WeakPolarHBondContact O-CB 3.31Å; M88-T92 PolarHBondContact O-N 3.2Å; M88-T92 PolarHBondContact O-OG1 2.88Å; R89-T92 WeakPolarHBondContact O-CB 3.25Å; R89-T92 PolarHBondContact O-N 3.15Å; R89-T92 VanDerWaalsContact O-N 3.13Å; D90-T92 VanDerWaalsContact C-N 3.31Å; D90-T92 PolarHBondContact O-N 3.4Å; T92-L95 PolarHBondContact O-N 2.73Å; T92-H96 PolarHBondContact O-N 3.17Å; T92-H96 PolarHBondContact O-ND1 3.04Å |
| 93 | K | 97.9 | Very high | 97.4 | Very high | 112 Ų | 112 | 84.8 Ų | 84.8 | 49% | 0.487 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.8 | -47.8 | 171.5 | -70.6 | 174.8 | 179.6 | 172.3 | 0 | 111.8 | R89 D90 L95 H96 H97 | R89-K93 WeakPolarHBondContact O-CG 3.4Å; R89-K93 PolarHBondContact O-N 2.86Å; D90-K93 PolarHBondContact O-N 3.44Å; D90-K93 IonicContact OD1-NZ 3.29Å; D90-K93 PolarHBondContact OD1-NZ 3.37Å; K93-L95 VanDerWaalsContact C-N 3.31Å; K93-L95 PolarHBondContact O-N 3.16Å; K93-H96 PolarHBondContact O-N 3.1Å; K93-H96 VanDerWaalsContact O-N 3.09Å; K93-H97 PolarHBondContact O-N 3.27Å |
| 94 | A | 98.3 | Very high | 97.1 | Very high | 59 Ų | 59 | 81.8 Ų | 81.8 | 49% | 0.488 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D90 L91 H97 L98 | D90-A94 WeakPolarHBondContact O-CB 3.5Å; D90-A94 PolarHBondContact O-N 3.37Å; L91-A94 PolarHBondContact O-N 3.08Å; A94-H97 PolarHBondContact O-N 3.49Å; A94-L98 PolarHBondContact O-N 3.32Å |
| 95 | L | 97.5 | Very high | 96.7 | Very high | 26 Ų | 26 | 80.8 Ų | 80.8 | 14% | 0.136 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 173.5 | -173.5 | 75.2 | 0 | 0 | 0 | 112.3 | L91 T92 K93 L98 R99 K115 T118 | L91-L95 WeakPolarHBondContact O-CB 3.31Å; L91-L95 PolarHBondContact O-N 3.4Å; T92-L95 PolarHBondContact O-N 2.73Å; K93-L95 VanDerWaalsContact C-N 3.31Å; K93-L95 PolarHBondContact O-N 3.16Å; L95-L98 WeakPolarHBondContact O-CB 3.34Å; L95-L98 PolarHBondContact O-N 3.05Å; L95-R99 WeakPolarHBondContact O-CG 3.33Å; L95-R99 PolarHBondContact O-N 3.08Å; L95-K115 HydrophobicContact CD2-CB 3.99Å; L95-K115 HydrophobicContact CD2-CD 4.05Å; L95-K115 HydrophobicContact CD2-CG 3.59Å; L95-T118 HydrophobicContact CD1-CG2 3.94Å; L95-T118 HydrophobicContact CG-CG2 4.46Å |
| 96 | H | 96.2 | Very high | 96.3 | Very high | 116 Ų | 116 | 75.7 Ų | 75.7 | 54% | 0.537 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 176.4 | -77.2 | 45.4 | 0 | 0 | 0 | 111.6 | T92 K93 L98 R99 | T92-H96 PolarHBondContact O-N 3.17Å; T92-H96 PolarHBondContact O-ND1 3.04Å; K93-H96 PolarHBondContact O-N 3.1Å; K93-H96 VanDerWaalsContact O-N 3.09Å; H96-L98 VanDerWaalsContact C-N 3.32Å; H96-L98 PolarHBondContact O-N 2.69Å; H96-R99 WeakPolarHBondContact O-CB 3.29Å; H96-R99 PolarHBondContact O-N 3.3Å; H96-R99 VanDerWaalsContact O-N 3.15Å |
| 97 | H | 97.1 | Very high | 95.9 | Very high | 108 Ų | 108 | 72.4 Ų | 72.4 | 50% | 0.5 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.4 | -35 | 174.1 | -171.8 | -145.5 | 0 | 0 | 0 | 112.2 | K93 A94 R99 S100 Y101 | K93-H97 PolarHBondContact O-N 3.27Å; A94-H97 PolarHBondContact O-N 3.49Å; H97-R99 PolarHBondContact O-N 3.42Å; H97-S100 PolarHBondContact O-N 3.47Å; H97-S100 PolarHBondContact O-OG 3.39Å; H97-Y101 AromaticContact CE1-CE2 3.87Å; H97-Y101 PolarHBondContact CE1-OH 3.36Å; H97-Y101 AromaticContact NE2-CE2 3.75Å; H97-Y101 AromaticContact NE2-CZ 3.86Å; H97-Y101 PolarHBondContact NE2-OH 3.48Å; H97-Y101 VanDerWaalsContact O-CD2 3.27Å; H97-Y101 WeakPolarHBondContact O-CD2 3.4Å |
| 98 | L | 97.6 | Very high | 95.4 | Very high | 52 Ų | 52 | 67.3 Ų | 67.3 | 27% | 0.272 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.2 | -32.7 | 173.5 | -175.5 | 59.4 | 0 | 0 | 0 | 112.5 | A94 L95 H96 Y101 T118 L119 T122 | A94-L98 PolarHBondContact O-N 3.32Å; L95-L98 WeakPolarHBondContact O-CB 3.34Å; L95-L98 PolarHBondContact O-N 3.05Å; H96-L98 VanDerWaalsContact C-N 3.32Å; H96-L98 PolarHBondContact O-N 2.69Å; L98-Y101 PolarHBondContact O-N 3.01Å; L98-T118 HydrophobicContact CD2-CG2 4.33Å; L98-T118 HydrophobicContact CG-CG2 4.45Å; L98-L119 HydrophobicContact CD2-CD2 4.31Å; L98-T122 HydrophobicContact CD1-CG2 3.89Å; L98-T122 HydrophobicContact CD2-CG2 4.24Å; L98-T122 HydrophobicContact CG-CG2 4.37Å |
| 99 | R | 96.2 | Very high | 94.7 | Very high | 38 Ų | 38 | 71.3 Ų | 71.3 | 14% | 0.143 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.1 | -31.2 | 179.1 | -57.1 | 161.1 | 71.2 | 83 | 2.2 | 113.2 | L95 H96 H97 Y101 L102 Q111 L113 T118 | L95-R99 WeakPolarHBondContact O-CG 3.33Å; L95-R99 PolarHBondContact O-N 3.08Å; H96-R99 WeakPolarHBondContact O-CB 3.29Å; H96-R99 PolarHBondContact O-N 3.3Å; H96-R99 VanDerWaalsContact O-N 3.15Å; H97-R99 PolarHBondContact O-N 3.42Å; R99-Y101 PolarHBondContact O-N 3.34Å; R99-L102 WeakPolarHBondContact O-CB 3.35Å; R99-L102 PolarHBondContact O-N 2.61Å; R99-Q111 PolarHBondContact NH2-O 2.94Å; R99-L113 PolarHBondContact NH1-O 2.99Å; R99-T118 HydrophobicContact CG-CG2 3.67Å; R99-T118 PolarHBondContact NH1-OG1 3.22Å; R99-T118 VanDerWaalsContact NH1-OG1 3.12Å |
| 100 | S | 94.9 | Very high | 93.9 | Very high | 88 Ų | 88 | 69.1 Ų | 69.1 | 62% | 0.615 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -10.9 | -179.9 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | H97 | H97-S100 PolarHBondContact O-N 3.47Å; H97-S100 PolarHBondContact O-OG 3.39Å |
| 101 | Y | 95.9 | Very high | 93.4 | Very high | 143 Ų | 143 | 70.8 Ų | 70.8 | 56% | 0.561 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -9.5 | 170.1 | -61.8 | -75.1 | 0 | 0 | 0 | 113.5 | H97 L98 R99 Y125 | H97-Y101 AromaticContact CE1-CE2 3.87Å; H97-Y101 PolarHBondContact CE1-OH 3.36Å; H97-Y101 AromaticContact NE2-CE2 3.75Å; H97-Y101 AromaticContact NE2-CZ 3.86Å; H97-Y101 PolarHBondContact NE2-OH 3.48Å; H97-Y101 VanDerWaalsContact O-CD2 3.27Å; H97-Y101 WeakPolarHBondContact O-CD2 3.4Å; L98-Y101 PolarHBondContact O-N 3.01Å; R99-Y101 PolarHBondContact O-N 3.34Å; Y101-Y125 WeakPolarHBondContact O-CE1 3.44Å |
| 102 | L | 95.8 | Very high | 92.9 | Very high | 10 Ų | 10 | 72.9 Ų | 72.9 | 5% | 0.052 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -79.5 | 145.8 | 177.5 | -66 | 177.4 | 0 | 0 | 0 | 110.8 | R99 V106 A107 T118 L121 | R99-L102 WeakPolarHBondContact O-CB 3.35Å; R99-L102 PolarHBondContact O-N 2.61Å; L102-V106 HydrophobicContact CB-CG2 4.5Å; L102-A107 HydrophobicContact CB-CB 3.67Å; L102-A107 HydrophobicContact CD1-CB 4.1Å; L102-T118 HydrophobicContact CD1-CG2 4.37Å; L102-L121 HydrophobicContact CD1-CB 3.87Å; L102-L121 HydrophobicContact CD1-CD1 4.29Å; L102-L121 HydrophobicContact CD2-CB 4Å |
| 103 | P | 94.2 | Very high | 92.7 | Very high | 24 Ų | 24 | 71.5 Ų | 71.5 | 16% | 0.156 | 41% | 0.413 | C | S | . | . | trans | -56.2 | 136.1 | 176.4 | -26 | 34.3 | 0 | 0 | 0 | 112 | S105 V106 A107 Y125 W247 | P103-S105 PolarHBondContact O-N 2.71Å; P103-V106 HydrophobicContact CB-CG2 4.21Å; P103-V106 HydrophobicContact CG-CG2 4.38Å; P103-V106 WeakPolarHBondContact O-CG2 3.09Å; P103-V106 PolarHBondContact O-N 3.26Å; P103-A107 PolarHBondContact O-N 2.84Å; P103-Y125 HydrophobicContact CG-CD2 3.9Å; P103-Y125 HydrophobicContact CG-CE1 4.45Å; P103-Y125 HydrophobicContact CG-CE2 3.64Å; P103-Y125 HydrophobicContact CG-CG 4.4Å; P103-W247 HydrophobicContact CG-CH2 4.46Å; P103-W247 HydrophobicContact CG-CZ2 4.41Å | ||
| 104 | P | 90.9 | Very high | 92.6 | Very high | 99 Ų | 99 | 69.7 Ų | 69.7 | 64% | 0.643 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -19.9 | 179.2 | -26.8 | 34.7 | 0 | 0 | 0 | 114.6 | V106 P108 | P104-V106 VanDerWaalsContact C-N 3.33Å; P104-P108 WeakPolarHBondContact O-CA 3.42Å |
| 105 | S | 90.9 | Very high | 92.6 | Very high | 55 Ų | 55 | 72.1 Ų | 72.1 | 39% | 0.385 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -35.4 | 173 | 55 | 0 | 0 | 0 | 0 | 112.8 | P103 R244 | P103-S105 PolarHBondContact O-N 2.71Å; S105-R244 PolarHBondContact O-NH1 2.97Å; S105-R244 PolarHBondContact O-NH2 2.93Å |
| 106 | V | 90.4 | Very high | 92.6 | Very high | 15 Ų | 15 | 75.4 Ų | 75.4 | 9% | 0.091 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -16.9 | -177 | -61.3 | 0 | 0 | 0 | 0 | 114 | L102 P103 P104 L121 W247 | L102-V106 HydrophobicContact CB-CG2 4.5Å; P103-V106 HydrophobicContact CB-CG2 4.21Å; P103-V106 HydrophobicContact CG-CG2 4.38Å; P103-V106 WeakPolarHBondContact O-CG2 3.09Å; P103-V106 PolarHBondContact O-N 3.26Å; P104-V106 VanDerWaalsContact C-N 3.33Å; V106-L121 HydrophobicContact CB-CD1 4.37Å; V106-L121 HydrophobicContact CB-CD2 3.97Å; V106-L121 HydrophobicContact CG1-CD2 4.39Å; V106-L121 HydrophobicContact CG2-CD2 4.14Å; V106-W247 HydrophobicContact CG1-CB 3.63Å; V106-W247 HydrophobicContact CG1-CD2 3.55Å; V106-W247 HydrophobicContact CG1-CE3 4.01Å; V106-W247 HydrophobicContact CG1-CG 3.37Å; V106-W247 HydrophobicContact CG2-CE3 4.42Å |
| 107 | A | 89.9 | Confident | 92.6 | Very high | 12 Ų | 12 | 73.8 Ų | 73.8 | 10% | 0.099 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -129.1 | 71.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L102 P103 V109 L113 | L102-A107 HydrophobicContact CB-CB 3.67Å; L102-A107 HydrophobicContact CD1-CB 4.1Å; P103-A107 PolarHBondContact O-N 2.84Å; A107-V109 PolarHBondContact O-N 2.96Å; A107-L113 HydrophobicContact CB-CD1 3.99Å |
| 108 | P | 87.9 | Confident | 92.6 | Very high | 49 Ų | 49 | 68.6 Ų | 68.6 | 32% | 0.318 | 40% | 0.396 | S | S | . | . | trans | -55.7 | 137.2 | 175.2 | -24.7 | 34.5 | 0 | 0 | 0 | 112 | P104 G110 Q111 | P104-P108 WeakPolarHBondContact O-CA 3.42Å; P108-G110 PolarHBondContact O-N 3.09Å; P108-Q111 HydrophobicContact CB-CB 4.21Å; P108-Q111 PolarHBondContact O-N 3.44Å | ||
| 109 | V | 83.7 | Confident | 92.7 | Very high | 152 Ų | 152 | 70.1 Ų | 70.1 | 92% | 0.921 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 124.8 | 176.1 | -176.1 | 0 | 0 | 0 | 0 | 109 | A107 | A107-V109 PolarHBondContact O-N 2.96Š|
| 110 | G | 82.5 | Confident | 92.7 | Very high | 81 Ų | 81 | 76 Ų | 76 | 84% | 0.835 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.3 | -18.4 | -175 | 0 | 0 | 0 | 0 | 0 | 114.8 | P108 | P108-G110 PolarHBondContact O-N 3.09Š|
| 111 | Q | 86.6 | Confident | 92.8 | Very high | 106 Ų | 106 | 72.3 Ų | 72.3 | 50% | 0.495 | 40% | 0.4 | S | S | . | . | trans | -78.7 | 131 | 170.4 | -173.3 | 175.2 | -0.6 | 0 | 0 | 110.3 | R99 P108 | R99-Q111 PolarHBondContact NH2-O 2.94Å; P108-Q111 HydrophobicContact CB-CB 4.21Å; P108-Q111 PolarHBondContact O-N 3.44Å | ||
| 112 | T | 88 | Confident | 92.9 | Very high | 131 Ų | 131 | 66.5 Ų | 66.5 | 80% | 0.804 | 38% | 0.379 | S | S | * | . | trans | -82.5 | 132.4 | 167.6 | 52.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 113 | L | 93.5 | Very high | 92.9 | Very high | 26 Ų | 26 | 71.2 Ų | 71.2 | 14% | 0.136 | 40% | 0.403 | C | S | . | . | trans | -119.2 | 146.6 | 167.1 | -45.4 | 153.1 | 0 | 0 | 0 | 106.3 | R99 A107 E117 L121 | R99-L113 PolarHBondContact NH1-O 2.99Å; A107-L113 HydrophobicContact CB-CD1 3.99Å; L113-E117 HydrophobicContact CB-CB 4.03Å; L113-L121 HydrophobicContact CD1-CD1 3.87Å | ||
| 114 | T | 96.5 | Very high | 93 | Very high | 74 Ų | 74 | 73.6 Ų | 73.6 | 45% | 0.454 | 41% | 0.409 | S | S | . | . | trans | -63.5 | 169 | 173.6 | 65.8 | 0 | 0 | 0 | 0 | 112.1 | I116 E117 T118 | T114-I116 VanDerWaalsContact C-N 3.3Å; T114-I116 PolarHBondContact O-N 3.1Å; T114-I116 WeakPolarHBondContact OG1-CG2 3.33Å; T114-E117 WeakPolarHBondContact CA-OE2 3.27Å; T114-E117 VanDerWaalsContact CB-OE2 3.25Å; T114-E117 WeakPolarHBondContact CB-OE2 3.43Å; T114-E117 VanDerWaalsContact CG2-OE2 3.31Å; T114-E117 WeakPolarHBondContact CG2-OE2 3.42Å; T114-E117 PolarHBondContact N-OE2 3.05Å; T114-E117 VanDerWaalsContact OG1-CD 3.24Å; T114-E117 VanDerWaalsContact OG1-CG 3.31Å; T114-E117 WeakPolarHBondContact OG1-CG 3.41Å; T114-E117 PolarHBondContact OG1-N 3.36Å; T114-E117 PolarHBondContact OG1-OE2 2.91Å; T114-T118 PolarHBondContact O-N 3.39Å; T114-T118 VanDerWaalsContact O-N 3.09Å; T114-T118 PolarHBondContact O-OG1 2.94Å | ||
| 115 | K | 97.8 | Very high | 93.3 | Very high | 109 Ų | 109 | 71.8 Ų | 71.8 | 47% | 0.474 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 174.9 | -49.7 | -163.1 | 175.4 | 179.9 | 0 | 111.7 | L95 L119 | L95-K115 HydrophobicContact CD2-CB 3.99Å; L95-K115 HydrophobicContact CD2-CD 4.05Å; L95-K115 HydrophobicContact CD2-CG 3.59Å; K115-L119 VanDerWaalsContact O-CG 3.29Å; K115-L119 WeakPolarHBondContact O-CG 3.41Å; K115-L119 PolarHBondContact O-N 2.78Å; K115-L119 VanDerWaalsContact O-N 3.1Å |
| 116 | I | 97.9 | Very high | 93.5 | Very high | 95 Ų | 95 | 73.7 Ų | 73.7 | 49% | 0.487 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.9 | -38.8 | -176.4 | -169.8 | 63.2 | 0 | 0 | 0 | 112 | T114 R120 | T114-I116 VanDerWaalsContact C-N 3.3Å; T114-I116 PolarHBondContact O-N 3.1Å; T114-I116 WeakPolarHBondContact OG1-CG2 3.33Å; I116-R120 WeakPolarHBondContact O-CB 3.47Å; I116-R120 VanDerWaalsContact O-CG 3.25Å; I116-R120 WeakPolarHBondContact O-CG 3.48Å; I116-R120 PolarHBondContact O-N 3.04Å |
| 117 | E | 96.6 | Very high | 93.7 | Very high | 82 Ų | 82 | 76.1 Ų | 76.1 | 38% | 0.383 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 174.1 | -71.2 | 160.3 | 139.7 | 0 | 0 | 111.4 | L113 T114 L119 R120 L121 | L113-E117 HydrophobicContact CB-CB 4.03Å; T114-E117 WeakPolarHBondContact CA-OE2 3.27Å; T114-E117 VanDerWaalsContact CB-OE2 3.25Å; T114-E117 WeakPolarHBondContact CB-OE2 3.43Å; T114-E117 VanDerWaalsContact CG2-OE2 3.31Å; T114-E117 WeakPolarHBondContact CG2-OE2 3.42Å; T114-E117 PolarHBondContact N-OE2 3.05Å; T114-E117 VanDerWaalsContact OG1-CD 3.24Å; T114-E117 VanDerWaalsContact OG1-CG 3.31Å; T114-E117 WeakPolarHBondContact OG1-CG 3.41Å; T114-E117 PolarHBondContact OG1-N 3.36Å; T114-E117 PolarHBondContact OG1-OE2 2.91Å; E117-L119 VanDerWaalsContact C-N 3.33Å; E117-L119 PolarHBondContact O-N 3.46Å; E117-R120 PolarHBondContact O-N 3.27Å; E117-L121 WeakPolarHBondContact O-CB 3.41Å; E117-L121 WeakPolarHBondContact O-CG 3.44Å; E117-L121 PolarHBondContact O-N 3.12Å |
| 118 | T | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -54.9 | -50.5 | 177.3 | -54.2 | 0 | 0 | 0 | 0 | 110.4 | L95 L98 R99 L102 T114 L121 T122 | L95-T118 HydrophobicContact CD1-CG2 3.94Å; L95-T118 HydrophobicContact CG-CG2 4.46Å; L98-T118 HydrophobicContact CD2-CG2 4.33Å; L98-T118 HydrophobicContact CG-CG2 4.45Å; R99-T118 HydrophobicContact CG-CG2 3.67Å; R99-T118 PolarHBondContact NH1-OG1 3.22Å; R99-T118 VanDerWaalsContact NH1-OG1 3.12Å; L102-T118 HydrophobicContact CD1-CG2 4.37Å; T114-T118 PolarHBondContact O-N 3.39Å; T114-T118 VanDerWaalsContact O-N 3.09Å; T114-T118 PolarHBondContact O-OG1 2.94Å; T118-L121 PolarHBondContact O-N 3.13Å; T118-T122 PolarHBondContact O-N 3.2Å; T118-T122 PolarHBondContact O-OG1 3.45Å; T118-T122 VanDerWaalsContact O-OG1 3.05Å |
| 119 | L | 98.3 | Very high | 94.2 | Very high | 84 Ų | 84 | 77 Ų | 77 | 44% | 0.44 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 179.6 | -67.6 | 171.3 | 0 | 0 | 0 | 112.8 | L98 K115 E117 L121 T122 I123 | L98-L119 HydrophobicContact CD2-CD2 4.31Å; K115-L119 VanDerWaalsContact O-CG 3.29Å; K115-L119 WeakPolarHBondContact O-CG 3.41Å; K115-L119 PolarHBondContact O-N 2.78Å; K115-L119 VanDerWaalsContact O-N 3.1Å; E117-L119 VanDerWaalsContact C-N 3.33Å; E117-L119 PolarHBondContact O-N 3.46Å; L119-L121 VanDerWaalsContact C-N 3.35Å; L119-L121 PolarHBondContact O-N 3.15Å; L119-T122 PolarHBondContact O-N 3.4Å; L119-I123 WeakPolarHBondContact O-CG1 3.43Å; L119-I123 PolarHBondContact O-N 3.12Å |
| 120 | R | 97.3 | Very high | 94.7 | Very high | 160 Ų | 160 | 70.6 Ų | 70.6 | 60% | 0.604 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64 | -37.3 | 177.1 | -75.7 | 174.5 | 174.2 | -173.5 | -2 | 112.8 | I116 E117 R124 | I116-R120 WeakPolarHBondContact O-CB 3.47Å; I116-R120 VanDerWaalsContact O-CG 3.25Å; I116-R120 WeakPolarHBondContact O-CG 3.48Å; I116-R120 PolarHBondContact O-N 3.04Å; E117-R120 PolarHBondContact O-N 3.27Å; R120-R124 PolarHBondContact O-N 2.92Å; R120-R124 PolarHBondContact O-NE 3.09Å |
| 121 | L | 96.7 | Very high | 95.1 | Very high | 12 Ų | 12 | 70.4 Ų | 70.4 | 6% | 0.063 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.3 | -43 | 175.3 | -72.6 | 168.4 | 0 | 0 | 0 | 111.4 | L102 V106 L113 E117 T118 L119 I123 R124 Y125 W247 | L102-L121 HydrophobicContact CD1-CB 3.87Å; L102-L121 HydrophobicContact CD1-CD1 4.29Å; L102-L121 HydrophobicContact CD2-CB 4Å; V106-L121 HydrophobicContact CB-CD1 4.37Å; V106-L121 HydrophobicContact CB-CD2 3.97Å; V106-L121 HydrophobicContact CG1-CD2 4.39Å; V106-L121 HydrophobicContact CG2-CD2 4.14Å; L113-L121 HydrophobicContact CD1-CD1 3.87Å; E117-L121 WeakPolarHBondContact O-CB 3.41Å; E117-L121 WeakPolarHBondContact O-CG 3.44Å; E117-L121 PolarHBondContact O-N 3.12Å; T118-L121 PolarHBondContact O-N 3.13Å; L119-L121 VanDerWaalsContact C-N 3.35Å; L119-L121 PolarHBondContact O-N 3.15Å; L121-I123 PolarHBondContact O-N 3.42Å; L121-R124 PolarHBondContact O-N 3.23Å; L121-Y125 WeakPolarHBondContact O-CB 3.45Å; L121-Y125 PolarHBondContact O-N 3Å; L121-W247 HydrophobicContact CD2-CE3 3.75Å; L121-W247 HydrophobicContact CD2-CZ3 4.31Å |
| 122 | T | 97.8 | Very high | 95.4 | Very high | 20 Ų | 20 | 70 Ų | 70 | 12% | 0.123 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.6 | -47.3 | 176 | -64.4 | 0 | 0 | 0 | 0 | 111.9 | L98 T118 L119 R124 Y125 I126 | L98-T122 HydrophobicContact CD1-CG2 3.89Å; L98-T122 HydrophobicContact CD2-CG2 4.24Å; L98-T122 HydrophobicContact CG-CG2 4.37Å; T118-T122 PolarHBondContact O-N 3.2Å; T118-T122 PolarHBondContact O-OG1 3.45Å; T118-T122 VanDerWaalsContact O-OG1 3.05Å; L119-T122 PolarHBondContact O-N 3.4Å; T122-R124 PolarHBondContact O-N 2.91Å; T122-Y125 PolarHBondContact O-N 3.39Å; T122-I126 HydrophobicContact CG2-CD1 3.82Å; T122-I126 HydrophobicContact CG2-CG1 4.43Å; T122-I126 WeakPolarHBondContact O-CG1 3.42Å; T122-I126 PolarHBondContact O-N 3.47Å |
| 123 | I | 96.8 | Very high | 95.7 | Very high | 109 Ų | 109 | 70 Ų | 70 | 56% | 0.559 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58.2 | -50.9 | 179.4 | -68.4 | 163.2 | 0 | 0 | 0 | 110.3 | L119 L121 Y125 I126 S127 | L119-I123 WeakPolarHBondContact O-CG1 3.43Å; L119-I123 PolarHBondContact O-N 3.12Å; L121-I123 PolarHBondContact O-N 3.42Å; I123-Y125 VanDerWaalsContact C-N 3.32Å; I123-Y125 PolarHBondContact O-N 2.74Å; I123-I126 PolarHBondContact O-N 3.13Å; I123-S127 PolarHBondContact O-N 3.02Å; I123-S127 PolarHBondContact O-OG 3.43Å |
| 124 | R | 95.8 | Very high | 95.5 | Very high | 75 Ų | 75 | 72 Ų | 72 | 28% | 0.283 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 178.1 | -72.8 | -173.1 | -70.6 | 179.1 | -1.2 | 113.1 | R120 L121 T122 S127 H128 Y246 W247 | R120-R124 PolarHBondContact O-N 2.92Å; R120-R124 PolarHBondContact O-NE 3.09Å; L121-R124 PolarHBondContact O-N 3.23Å; T122-R124 PolarHBondContact O-N 2.91Å; R124-S127 PolarHBondContact O-N 2.94Å; R124-H128 WeakPolarHBondContact O-CB 3.47Å; R124-H128 PolarHBondContact O-N 3.2Å; R124-Y246 HydrophobicContact CB-CE1 4.43Å; R124-Y246 PolarHBondContact NH1-O 3.38Å; R124-W247 HydrophobicContact CB-CZ3 4.07Å; R124-W247 PolarHBondContact NH1-O 3.18Å; R124-W247 PolarHBondContact NH2-O 3.09Å |
| 125 | Y | 96.6 | Very high | 95 | Very high | 61 Ų | 61 | 71.9 Ų | 71.9 | 24% | 0.239 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.1 | -38.8 | 178.2 | -172.4 | -134 | 0 | 0 | 0 | 112.4 | Y101 P103 L121 T122 I123 H128 L129 W247 | Y101-Y125 WeakPolarHBondContact O-CE1 3.44Å; P103-Y125 HydrophobicContact CG-CD2 3.9Å; P103-Y125 HydrophobicContact CG-CE1 4.45Å; P103-Y125 HydrophobicContact CG-CE2 3.64Å; P103-Y125 HydrophobicContact CG-CG 4.4Å; L121-Y125 WeakPolarHBondContact O-CB 3.45Å; L121-Y125 PolarHBondContact O-N 3Å; T122-Y125 PolarHBondContact O-N 3.39Å; I123-Y125 VanDerWaalsContact C-N 3.32Å; I123-Y125 PolarHBondContact O-N 2.74Å; Y125-H128 PolarHBondContact O-N 2.7Å; Y125-L129 HydrophobicContact CD1-CD1 4.14Å; Y125-L129 HydrophobicContact CD2-CD1 4.35Å; Y125-L129 HydrophobicContact CD2-CG 4.15Å; Y125-L129 HydrophobicContact CE1-CD1 3.76Å; Y125-L129 HydrophobicContact CE2-CD1 4.02Å; Y125-L129 HydrophobicContact CE2-CD2 3.93Å; Y125-L129 HydrophobicContact CE2-CG 3.87Å; Y125-L129 HydrophobicContact CG-CD1 4.43Å; Y125-L129 WeakPolarHBondContact O-CG 3.39Å; Y125-L129 PolarHBondContact O-N 2.86Å; Y125-W247 AromaticContact CD2-CH2 3.85Å; Y125-W247 HydrophobicContact CD2-CH2 3.85Å; Y125-W247 HydrophobicContact CD2-CZ2 4.49Å; Y125-W247 HydrophobicContact CG-CH2 4.25Å |
| 126 | I | 95.6 | Very high | 93.9 | Very high | 95 Ų | 95 | 69.1 Ų | 69.1 | 49% | 0.487 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60 | -51.6 | 171.7 | -67.3 | 167 | 0 | 0 | 0 | 109.8 | T122 I123 H128 L129 S130 | T122-I126 HydrophobicContact CG2-CD1 3.82Å; T122-I126 HydrophobicContact CG2-CG1 4.43Å; T122-I126 WeakPolarHBondContact O-CG1 3.42Å; T122-I126 PolarHBondContact O-N 3.47Å; I123-I126 PolarHBondContact O-N 3.13Å; I126-H128 VanDerWaalsContact C-N 3.28Å; I126-H128 PolarHBondContact O-N 2.93Å; I126-L129 PolarHBondContact O-N 2.9Å; I126-S130 WeakPolarHBondContact O-CB 3.48Å; I126-S130 PolarHBondContact O-N 3.38Å; I126-S130 PolarHBondContact O-OG 2.91Å |
| 127 | S | 93.9 | Very high | 92.6 | Very high | 65 Ų | 65 | 70.8 Ų | 70.8 | 46% | 0.455 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57 | -40.4 | 177.8 | -57.4 | 0 | 0 | 0 | 0 | 112.8 | I123 R124 A131 | I123-S127 PolarHBondContact O-N 3.02Å; I123-S127 PolarHBondContact O-OG 3.43Å; R124-S127 PolarHBondContact O-N 2.94Å; S127-A131 WeakPolarHBondContact O-CB 3.48Å; S127-A131 PolarHBondContact O-N 2.81Å |
| 128 | H | 93.9 | Very high | 91.1 | Very high | 19 Ų | 19 | 72.8 Ų | 72.8 | 9% | 0.088 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.3 | -48.2 | 176.5 | 175.5 | 59.3 | 0 | 0 | 0 | 112.5 | R124 Y125 I126 A131 Q132 L241 V242 Y246 | R124-H128 WeakPolarHBondContact O-CB 3.47Å; R124-H128 PolarHBondContact O-N 3.2Å; Y125-H128 PolarHBondContact O-N 2.7Å; I126-H128 VanDerWaalsContact C-N 3.28Å; I126-H128 PolarHBondContact O-N 2.93Å; H128-A131 PolarHBondContact O-N 3.41Å; H128-Q132 PolarHBondContact CE1-NE2 2.91Å; H128-Q132 PolarHBondContact NE2-NE2 3.45Å; H128-Q132 WeakPolarHBondContact O-CG 3.49Å; H128-Q132 PolarHBondContact O-N 2.98Å; H128-L241 PolarHBondContact CE1-O 3.05Å; H128-V242 VanDerWaalsContact CE1-CG2 3.49Å; H128-V242 WeakPolarHBondContact CE1-CG2 3.36Å; H128-Y246 HydrophobicContact CB-CE1 4.1Å |
| 129 | L | 95.4 | Very high | 89.7 | Confident | 60 Ų | 60 | 76.7 Ų | 76.7 | 31% | 0.314 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 177.3 | -67.4 | 175.7 | 0 | 0 | 0 | 111.7 | Y125 I126 A131 Q132 L133 | Y125-L129 HydrophobicContact CD1-CD1 4.14Å; Y125-L129 HydrophobicContact CD2-CD1 4.35Å; Y125-L129 HydrophobicContact CD2-CG 4.15Å; Y125-L129 HydrophobicContact CE1-CD1 3.76Å; Y125-L129 HydrophobicContact CE2-CD1 4.02Å; Y125-L129 HydrophobicContact CE2-CD2 3.93Å; Y125-L129 HydrophobicContact CE2-CG 3.87Å; Y125-L129 HydrophobicContact CG-CD1 4.43Å; Y125-L129 WeakPolarHBondContact O-CG 3.39Å; Y125-L129 PolarHBondContact O-N 2.86Å; I126-L129 PolarHBondContact O-N 2.9Å; L129-A131 VanDerWaalsContact C-N 3.35Å; L129-A131 PolarHBondContact O-N 3.15Å; L129-Q132 PolarHBondContact O-N 2.95Å; L129-L133 WeakPolarHBondContact O-CB 3.22Å; L129-L133 VanDerWaalsContact O-CG 3.3Å; L129-L133 WeakPolarHBondContact O-CG 3.46Å; L129-L133 PolarHBondContact O-N 3.39Å |
| 130 | S | 93.9 | Very high | 88.4 | Confident | 19 Ų | 19 | 76.4 Ų | 76.4 | 13% | 0.133 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.2 | -45.9 | 173.8 | -69.5 | 0 | 0 | 0 | 0 | 111.6 | I126 L133 G134 L135 | I126-S130 WeakPolarHBondContact O-CB 3.48Å; I126-S130 PolarHBondContact O-N 3.38Å; I126-S130 PolarHBondContact O-OG 2.91Å; S130-L133 CarbonylContact O-C 3.56Å; S130-L133 PolarHBondContact O-N 3.38Å; S130-G134 PolarHBondContact O-N 3.43Å; S130-G134 VanDerWaalsContact O-N 3.13Å; S130-L135 PolarHBondContact O-N 2.91Å |
| 131 | A | 90.7 | Very high | 87 | Confident | 76 Ų | 76 | 74.2 Ų | 74.2 | 63% | 0.628 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63.8 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S127 H128 L129 L133 G134 | S127-A131 WeakPolarHBondContact O-CB 3.48Å; S127-A131 PolarHBondContact O-N 2.81Å; H128-A131 PolarHBondContact O-N 3.41Å; L129-A131 VanDerWaalsContact C-N 3.35Å; L129-A131 PolarHBondContact O-N 3.15Å; A131-L133 VanDerWaalsContact C-N 3.27Å; A131-L133 PolarHBondContact O-N 3.35Å; A131-G134 PolarHBondContact O-N 2.7Å; A131-G134 VanDerWaalsContact O-N 3.16Å |
| 132 | Q | 93.1 | Very high | 85.7 | Confident | 99 Ų | 99 | 79.6 Ų | 79.6 | 46% | 0.463 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.3 | -33.8 | 174.5 | -76 | -177 | -22.8 | 0 | 0 | 113.2 | H128 L129 G134 | H128-Q132 PolarHBondContact CE1-NE2 2.91Å; H128-Q132 PolarHBondContact NE2-NE2 3.45Å; H128-Q132 WeakPolarHBondContact O-CG 3.49Å; H128-Q132 PolarHBondContact O-N 2.98Å; L129-Q132 PolarHBondContact O-N 2.95Å; Q132-G134 VanDerWaalsContact C-N 3.34Å |
| 133 | L | 94.1 | Very high | 84.3 | Confident | 130 Ų | 130 | 87.3 Ų | 87.3 | 68% | 0.681 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 1.1 | 178.5 | -65.3 | 172.9 | 0 | 0 | 0 | 113.5 | L129 S130 A131 L135 | L129-L133 WeakPolarHBondContact O-CB 3.22Å; L129-L133 VanDerWaalsContact O-CG 3.3Å; L129-L133 WeakPolarHBondContact O-CG 3.46Å; L129-L133 PolarHBondContact O-N 3.39Å; S130-L133 CarbonylContact O-C 3.56Å; S130-L133 PolarHBondContact O-N 3.38Å; A131-L133 VanDerWaalsContact C-N 3.27Å; A131-L133 PolarHBondContact O-N 3.35Å; L133-L135 HydrophobicContact CB-CD1 4.05Å; L133-L135 HydrophobicContact CB-CG 3.95Å; L133-L135 HydrophobicContact CD1-CD1 4.21Å; L133-L135 PolarHBondContact O-N 3.36Å |
| 134 | G | 89.4 | Confident | 83.1 | Confident | 67 Ų | 67 | 90.7 Ų | 90.7 | 69% | 0.691 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 18.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S130 A131 Q132 S136 | S130-G134 PolarHBondContact O-N 3.43Å; S130-G134 VanDerWaalsContact O-N 3.13Å; A131-G134 PolarHBondContact O-N 2.7Å; A131-G134 VanDerWaalsContact O-N 3.16Å; Q132-G134 VanDerWaalsContact C-N 3.34Å; G134-S136 PolarHBondContact O-N 3.5Å |
| 135 | L | 85.8 | Confident | 81.6 | Confident | 72 Ų | 72 | 93.4 Ų | 93.4 | 38% | 0.377 | 48% | 0.48 | S | S | . | . | trans | -83.7 | 101 | 178.3 | -60.7 | 175.4 | 0 | 0 | 0 | 109.2 | S130 L133 | S130-L135 PolarHBondContact O-N 2.91Å; L133-L135 HydrophobicContact CB-CD1 4.05Å; L133-L135 HydrophobicContact CB-CG 3.95Å; L133-L135 HydrophobicContact CD1-CD1 4.21Å; L133-L135 PolarHBondContact O-N 3.36Å | ||
| 136 | S | 75.4 | Confident | 79.8 | Confident | 51 Ų | 51 | 96.2 Ų | 96.2 | 36% | 0.357 | 50% | 0.495 | S | S | . | . | trans | -69.3 | 156.3 | 172.7 | 92.4 | 0 | 0 | 0 | 0 | 111.3 | G134 E138 V139 L140 | G134-S136 PolarHBondContact O-N 3.5Å; S136-E138 WeakPolarHBondContact CB-OE2 3.39Å; S136-E138 PolarHBondContact O-N 3.43Å; S136-E138 PolarHBondContact OG-OE2 2.92Å; S136-V139 PolarHBondContact O-N 2.82Å; S136-L140 PolarHBondContact O-N 3.33Å | ||
| 137 | E | 69.8 | Low | 78.1 | Confident | 131 Ų | 131 | 96.5 Ų | 96.5 | 61% | 0.612 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60 | -37.3 | -178.9 | -130.6 | -179.9 | 144.6 | 0 | 0 | 111 | V139 L140 F141 | E137-V139 VanDerWaalsContact C-N 3.35Å; E137-V139 PolarHBondContact O-N 3.24Å; E137-L140 PolarHBondContact O-N 3.01Å; E137-L140 VanDerWaalsContact O-N 3.16Å; E137-F141 HydrophobicContact CB-CD2 4.24Å; E137-F141 HydrophobicContact CB-CE2 4.18Å; E137-F141 HydrophobicContact CG-CD2 4.09Å; E137-F141 HydrophobicContact CG-CE2 3.62Å; E137-F141 WeakPolarHBondContact O-CD2 3.42Å; E137-F141 PolarHBondContact O-N 3.38Å; E137-F141 WeakPolarHBondContact OE1-CE2 3.32Å |
| 138 | E | 66.1 | Low | 76.2 | Confident | 124 Ų | 124 | 98.3 Ų | 98.3 | 58% | 0.579 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.8 | -43.1 | 177.6 | -61.2 | 74.9 | -163.6 | 0 | 0 | 112.2 | S136 L140 F141 Q142 | S136-E138 WeakPolarHBondContact CB-OE2 3.39Å; S136-E138 PolarHBondContact O-N 3.43Å; S136-E138 PolarHBondContact OG-OE2 2.92Å; E138-L140 VanDerWaalsContact C-N 3.29Å; E138-L140 PolarHBondContact O-N 3.38Å; E138-F141 PolarHBondContact O-N 2.95Å; E138-Q142 WeakPolarHBondContact O-CB 3.34Å; E138-Q142 PolarHBondContact O-N 2.88Å |
| 139 | V | 68.5 | Low | 74.3 | Confident | 81 Ų | 81 | 102.1 Ų | 102.1 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.5 | -35.1 | -179.6 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | S136 E137 R143 | S136-V139 PolarHBondContact O-N 2.82Å; E137-V139 VanDerWaalsContact C-N 3.35Å; E137-V139 PolarHBondContact O-N 3.24Å; V139-R143 WeakPolarHBondContact O-CB 3.5Å; V139-R143 PolarHBondContact O-N 3.45Å; V139-R143 VanDerWaalsContact O-N 3.15Å |
| 140 | L | 69.1 | Low | 71.9 | Confident | 79 Ų | 79 | 104.1 Ų | 104.1 | 41% | 0.414 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -73.2 | -43.2 | 177.3 | -62.3 | 177.5 | 0 | 0 | 0 | 111.7 | S136 E137 E138 R144 | S136-L140 PolarHBondContact O-N 3.33Å; E137-L140 PolarHBondContact O-N 3.01Å; E137-L140 VanDerWaalsContact O-N 3.16Å; E138-L140 VanDerWaalsContact C-N 3.29Å; E138-L140 PolarHBondContact O-N 3.38Å; L140-R144 PolarHBondContact O-N 3.35Å |
| 141 | F | 69 | Low | 69.7 | Low | 113 Ų | 113 | 106.9 Ų | 106.9 | 50% | 0.496 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.3 | -46.7 | 173.7 | -78.7 | -61.7 | 0 | 0 | 0 | 111.9 | E137 E138 R143 R144 E145 | E137-F141 HydrophobicContact CB-CD2 4.24Å; E137-F141 HydrophobicContact CB-CE2 4.18Å; E137-F141 HydrophobicContact CG-CD2 4.09Å; E137-F141 HydrophobicContact CG-CE2 3.62Å; E137-F141 WeakPolarHBondContact O-CD2 3.42Å; E137-F141 PolarHBondContact O-N 3.38Å; E137-F141 WeakPolarHBondContact OE1-CE2 3.32Å; E138-F141 PolarHBondContact O-N 2.95Å; F141-R143 VanDerWaalsContact C-N 3.32Å; F141-R143 PolarHBondContact O-N 2.69Å; F141-R144 WeakPolarHBondContact O-CA 3.47Å; F141-R144 WeakPolarHBondContact O-CB 3.42Å; F141-R144 PolarHBondContact O-N 2.79Å; F141-E145 WeakPolarHBondContact O-CG 3.44Å; F141-E145 PolarHBondContact O-N 3.41Å |
| 142 | Q | 69.8 | Low | 67.6 | Low | 126 Ų | 126 | 107.9 Ų | 107.9 | 59% | 0.589 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.8 | -31.3 | -176.1 | -164.1 | 163.5 | 93.4 | 0 | 0 | 112.5 | E138 Q146 | E138-Q142 WeakPolarHBondContact O-CB 3.34Å; E138-Q142 PolarHBondContact O-N 2.88Å; Q142-Q146 WeakPolarHBondContact O-CG 3.44Å; Q142-Q146 PolarHBondContact O-N 2.91Å; Q142-Q146 VanDerWaalsContact O-N 3.16Å |
| 143 | R | 67.4 | Low | 65.3 | Low | 182 Ų | 182 | 106.8 Ų | 106.8 | 69% | 0.687 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68 | -35.2 | 167.5 | 172.7 | 161.6 | -78.9 | 162.2 | -1.5 | 112.6 | V139 F141 V147 | V139-R143 WeakPolarHBondContact O-CB 3.5Å; V139-R143 PolarHBondContact O-N 3.45Å; V139-R143 VanDerWaalsContact O-N 3.15Å; F141-R143 VanDerWaalsContact C-N 3.32Å; F141-R143 PolarHBondContact O-N 2.69Å; R143-V147 PolarHBondContact O-N 3.04Å |
| 144 | R | 71.2 | Confident | 63.1 | Low | 180 Ų | 180 | 106.6 Ų | 106.6 | 68% | 0.679 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.8 | -48.2 | 177.4 | -165 | 174.5 | -167.5 | 174 | 4.6 | 111.2 | L140 F141 Q146 V147 D148 | L140-R144 PolarHBondContact O-N 3.35Å; F141-R144 WeakPolarHBondContact O-CA 3.47Å; F141-R144 WeakPolarHBondContact O-CB 3.42Å; F141-R144 PolarHBondContact O-N 2.79Å; R144-Q146 VanDerWaalsContact C-N 3.28Å; R144-Q146 PolarHBondContact O-N 3.48Å; R144-V147 PolarHBondContact O-N 2.98Å; R144-V147 VanDerWaalsContact O-N 3.08Å; R144-D148 PolarHBondContact O-N 3Å |
| 145 | E | 64.5 | Low | 61.2 | Low | 132 Ų | 132 | 109 Ų | 109 | 62% | 0.617 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -57.3 | -38.6 | 175.8 | -65.7 | -92.9 | 105.5 | 0 | 0 | 112.2 | F141 V147 D148 T149 | F141-E145 WeakPolarHBondContact O-CG 3.44Å; F141-E145 PolarHBondContact O-N 3.41Å; E145-V147 VanDerWaalsContact C-N 3.34Å; E145-V147 PolarHBondContact O-N 3.28Å; E145-D148 PolarHBondContact O-N 2.82Å; E145-T149 VanDerWaalsContact O-CB 3.29Å; E145-T149 WeakPolarHBondContact O-CB 3.26Å; E145-T149 PolarHBondContact O-N 3.49Å; E145-T149 PolarHBondContact O-OG1 3.12Å |
| 146 | Q | 60 | Low | 59.6 | Low | 120 Ų | 120 | 110.5 Ų | 110.5 | 56% | 0.561 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66 | -31.3 | 176.6 | -79.4 | 177.8 | 27.4 | 0 | 0 | 113.8 | Q142 R144 S150 | Q142-Q146 WeakPolarHBondContact O-CG 3.44Å; Q142-Q146 PolarHBondContact O-N 2.91Å; Q142-Q146 VanDerWaalsContact O-N 3.16Å; R144-Q146 VanDerWaalsContact C-N 3.28Å; R144-Q146 PolarHBondContact O-N 3.48Å; Q146-S150 VanDerWaalsContact O-CB 3.3Å; Q146-S150 WeakPolarHBondContact O-CB 3.46Å; Q146-S150 PolarHBondContact O-N 3.48Å; Q146-S150 PolarHBondContact O-OG 3.47Å |
| 147 | V | 58.9 | Low | 58.6 | Low | 100 Ų | 100 | 113.3 Ų | 113.3 | 61% | 0.606 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.3 | -41 | 177.2 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | R143 R144 E145 | R143-V147 PolarHBondContact O-N 3.04Å; R144-V147 PolarHBondContact O-N 2.98Å; R144-V147 VanDerWaalsContact O-N 3.08Å; E145-V147 VanDerWaalsContact C-N 3.34Å; E145-V147 PolarHBondContact O-N 3.28Å |
| 148 | D | 53.6 | Low | 58.1 | Low | 104 Ų | 104 | 112.1 Ų | 112.1 | 56% | 0.556 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -77.2 | -32 | 178.8 | -63.3 | -39.1 | 0 | 0 | 0 | 112.1 | R144 E145 | R144-D148 PolarHBondContact O-N 3Å; E145-D148 PolarHBondContact O-N 2.82Å |
| 149 | T | 54.3 | Low | 58 | Low | 98 Ų | 98 | 112.5 Ų | 112.5 | 60% | 0.601 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.3 | -36.2 | 177.4 | -54.7 | 0 | 0 | 0 | 0 | 112.5 | E145 A151 S152 | E145-T149 VanDerWaalsContact O-CB 3.29Å; E145-T149 WeakPolarHBondContact O-CB 3.26Å; E145-T149 PolarHBondContact O-N 3.49Å; E145-T149 PolarHBondContact O-OG1 3.12Å; T149-A151 PolarHBondContact O-N 2.94Å; T149-S152 PolarHBondContact O-N 2.95Å; T149-S152 VanDerWaalsContact O-N 3.1Å |
| 150 | S | 46.4 | Very low | 57.7 | Low | 102 Ų | 102 | 114.1 Ų | 114.1 | 71% | 0.713 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -14.3 | -179.1 | -59.1 | 0 | 0 | 0 | 0 | 113.7 | Q146 | Q146-S150 VanDerWaalsContact O-CB 3.3Å; Q146-S150 WeakPolarHBondContact O-CB 3.46Å; Q146-S150 PolarHBondContact O-N 3.48Å; Q146-S150 PolarHBondContact O-OG 3.47Å |
| 151 | A | 47.2 | Very low | 57 | Low | 78 Ų | 78 | 113.8 Ų | 113.8 | 65% | 0.645 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -8.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | T149 G153 | T149-A151 PolarHBondContact O-N 2.94Å; A151-G153 VanDerWaalsContact C-N 3.3Å; A151-G153 PolarHBondContact O-N 3.03Å |
| 152 | S | 46.8 | Very low | 56.5 | Low | 97 Ų | 97 | 115.7 Ų | 115.7 | 68% | 0.678 | 65% | 0.652 | S | S | * | * | trans | -91.6 | 22.3 | 177.2 | -72.9 | 0 | 0 | 0 | 0 | 113.8 | T149 T154 | T149-S152 PolarHBondContact O-N 2.95Å; T149-S152 VanDerWaalsContact O-N 3.1Å; S152-T154 PolarHBondContact O-N 3.02Å | ||
| 153 | G | 43.3 | Very low | 55.9 | Low | 76 Ų | 76 | 116.9 Ų | 116.9 | 78% | 0.784 | 66% | 0.656 | S | S | * | * | trans | -73.8 | -0.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | A151 | A151-G153 VanDerWaalsContact C-N 3.3Å; A151-G153 PolarHBondContact O-N 3.03Å | ||
| 154 | T | 49.4 | Very low | 55.5 | Low | 125 Ų | 125 | 115.7 Ų | 115.7 | 77% | 0.767 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -116.5 | 106.4 | 170.8 | 51.2 | 0 | 0 | 0 | 0 | 110 | S152 S156 | S152-T154 PolarHBondContact O-N 3.02Å; T154-S156 PolarHBondContact O-N 3.29Å |
| 155 | S | 49.4 | Very low | 54.5 | Low | 118 Ų | 118 | 113.7 Ų | 113.7 | 83% | 0.825 | 66% | 0.661 | S | S | * | * | trans | -59.4 | 101.1 | 172.3 | 55.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 156 | S | 50.5 | Low | 53.7 | Low | 103 Ų | 103 | 112.1 Ų | 112.1 | 72% | 0.72 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 122.9 | 166.8 | -176.9 | 0 | 0 | 0 | 0 | 107.8 | T154 D158 | T154-S156 PolarHBondContact O-N 3.29Å; S156-D158 PolarHBondContact O-N 3.19Å |
| 157 | P | 55.2 | Low | 53.5 | Low | 110 Ų | 110 | 112 Ų | 112 | 71% | 0.714 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 136.9 | 178.8 | 26.1 | -32.9 | 0 | 0 | 0 | 109.7 | L159 | P157-L159 PolarHBondContact O-N 3.21Š|
| 158 | D | 59.9 | Low | 53.1 | Low | 106 Ų | 106 | 112 Ų | 112 | 57% | 0.567 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 123.6 | -174.2 | -171.2 | -11.2 | 0 | 0 | 0 | 111.5 | S156 I160 S161 | S156-D158 PolarHBondContact O-N 3.19Å; D158-I160 PolarHBondContact O-N 3.05Å; D158-I160 VanDerWaalsContact O-N 3.08Å; D158-I160 WeakPolarHBondContact OD1-CB 3.28Å; D158-I160 PolarHBondContact OD1-N 3.23Å; D158-S161 WeakPolarHBondContact O-CB 3.37Å; D158-S161 PolarHBondContact O-N 3.15Å |
| 159 | L | 64 | Low | 52.4 | Low | 132 Ų | 132 | 110.9 Ų | 110.9 | 69% | 0.691 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -58.4 | -22.3 | 179.4 | -74.6 | 169.9 | 0 | 0 | 0 | 112.4 | P157 S161 F163 | P157-L159 PolarHBondContact O-N 3.21Å; L159-S161 VanDerWaalsContact C-N 3.35Å; L159-F163 WeakPolarHBondContact O-CD2 3.41Å |
| 160 | I | 61.5 | Low | 51.9 | Low | 116 Ų | 116 | 109.8 Ų | 109.8 | 60% | 0.595 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -67.6 | -34 | 176.6 | -63.3 | -177.5 | 0 | 0 | 0 | 111.7 | D158 Y162 F163 | D158-I160 PolarHBondContact O-N 3.05Å; D158-I160 VanDerWaalsContact O-N 3.08Å; D158-I160 WeakPolarHBondContact OD1-CB 3.28Å; D158-I160 PolarHBondContact OD1-N 3.23Å; I160-Y162 PolarHBondContact O-N 3.47Å; I160-F163 PolarHBondContact O-N 3.34Å |
| 161 | S | 54.9 | Low | 51.3 | Low | 72 Ų | 72 | 114.6 Ų | 114.6 | 50% | 0.503 | 72% | 0.72 | S | S | . | * | H | α-helix | trans | -66.1 | -38.5 | -179.6 | -177.1 | 0 | 0 | 0 | 0 | 112.5 | D158 L159 F163 Q164 | D158-S161 WeakPolarHBondContact O-CB 3.37Å; D158-S161 PolarHBondContact O-N 3.15Å; L159-S161 VanDerWaalsContact C-N 3.35Å; S161-F163 VanDerWaalsContact C-N 3.34Å; S161-F163 PolarHBondContact O-N 3.5Å; S161-Q164 PolarHBondContact O-N 2.8Å |
| 162 | Y | 57.3 | Low | 51 | Low | 153 Ų | 153 | 118.5 Ų | 118.5 | 60% | 0.6 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -58.5 | -41.2 | 179.5 | 153.7 | -113 | 0 | 0 | 0 | 113 | I160 Q164 | I160-Y162 PolarHBondContact O-N 3.47Å; Y162-Q164 VanDerWaalsContact C-N 3.33Å; Y162-Q164 PolarHBondContact O-N 3.49Å |
| 163 | F | 58.9 | Low | 50.6 | Low | 151 Ų | 151 | 120.7 Ų | 120.7 | 66% | 0.662 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -75.9 | -18.7 | -178.7 | -74.6 | -74.5 | 0 | 0 | 0 | 114 | L159 I160 S161 | L159-F163 WeakPolarHBondContact O-CD2 3.41Å; I160-F163 PolarHBondContact O-N 3.34Å; S161-F163 VanDerWaalsContact C-N 3.34Å; S161-F163 PolarHBondContact O-N 3.5Å |
| 164 | Q | 57.5 | Low | 50.5 | Low | 156 Ų | 156 | 124 Ų | 124 | 73% | 0.729 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -80.4 | -19.2 | -172.2 | -161.8 | 139.2 | 77.7 | 0 | 0 | 113.5 | S161 Y162 | S161-Q164 PolarHBondContact O-N 2.8Å; Y162-Q164 VanDerWaalsContact C-N 3.33Å; Y162-Q164 PolarHBondContact O-N 3.49Å |
| 165 | N | 50.1 | Low | 49.7 | Very low | 138 Ų | 138 | 123.7 Ų | 123.7 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -0.4 | -174.3 | -74.6 | -5.8 | 0 | 0 | 0 | 115.4 | S167 | N165-S167 VanDerWaalsContact C-N 3.33Å; N165-S167 PolarHBondContact O-N 3.33Å |
| 166 | S | 49.7 | Very low | 49.5 | Very low | 100 Ų | 100 | 125.6 Ų | 125.6 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | trans | -88.4 | 19.1 | -174.9 | -55.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 167 | S | 54.2 | Low | 48.9 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | -127.2 | 49.5 | -174.1 | -172.5 | 0 | 0 | 0 | 0 | 114.4 | N165 | N165-S167 VanDerWaalsContact C-N 3.33Å; N165-S167 PolarHBondContact O-N 3.33Å | ||
| 168 | A | 50.7 | Low | 48.5 | Very low | 99 Ų | 99 | 128 Ų | 128 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -154 | 123.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 169 | G | 39.2 | Very low | 47.4 | Very low | 81 Ų | 81 | 133.1 Ų | 133.1 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | trans | 105.8 | 131.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 170 | G | 44.1 | Very low | 46.2 | Very low | 76 Ų | 76 | 135.5 Ų | 135.5 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | trans | -68.5 | -174.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 171 | E | 33.4 | Very low | 45.1 | Very low | 202 Ų | 202 | 133.5 Ų | 133.5 | 94% | 0.944 | 77% | 0.766 | S | S | * | * | cis | -146.8 | -177.5 | 34.9 | -54.3 | -164.6 | 117.1 | 0 | 0 | 113.8 | ||||
| 172 | H | 41.6 | Very low | 44.5 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | -83.5 | 118.6 | -167.6 | 165.8 | -90 | 0 | 0 | 0 | 114.1 | ||||
| 173 | V | 37.1 | Very low | 43.4 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | -130.2 | 129.8 | 155.7 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 174 | Q | 42.4 | Very low | 42.5 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | -81.6 | 126.3 | -174.1 | 179.2 | 180 | 78.2 | 0 | 0 | 111.4 | ||||
| 175 | S | 33.1 | Very low | 41.4 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -139 | 120.2 | 163 | -171.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 176 | Q | 43.5 | Very low | 40.9 | Very low | 159 Ų | 159 | 134 Ų | 134 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | trans | -86.9 | 126.7 | -176.9 | -59.5 | 176.4 | 8.4 | 0 | 0 | 109.9 | ||||
| 177 | N | 38.1 | Very low | 40.4 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | trans | -151 | 122.5 | 154.7 | -136 | -62.7 | 0 | 0 | 0 | 111.1 | ||||
| 178 | P | 48.1 | Very low | 39.7 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -97.6 | 103.4 | -169.7 | 35.1 | -31.3 | 0 | 0 | 0 | 112.4 | ||||
| 179 | F | 36.1 | Very low | 39.6 | Very low | 213 Ų | 213 | 142.8 Ų | 142.8 | 93% | 0.934 | 80% | 0.797 | S | S | * | * | trans | -152.9 | 88.7 | 150 | -105.2 | -70.3 | 0 | 0 | 0 | 110.9 | ||||
| 180 | Q | 38.8 | Very low | 39.6 | Very low | 182 Ų | 182 | 145.4 Ų | 145.4 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | -91.6 | 111.2 | 177.8 | -165.1 | 177.1 | 31.9 | 0 | 0 | 109.6 | L182 | Q180-L182 HydrophobicContact CG-CD1 3.88Š| ||
| 181 | G | 37.8 | Very low | 39.4 | Very low | 75 Ų | 75 | 149.5 Ų | 149.5 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -122.2 | 101.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 182 | L | 43.2 | Very low | 39.8 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 60% | 0.602 | 78% | 0.779 | S | S | * | * | trans | -75.7 | 125.5 | -179.8 | -77.7 | 77.1 | 0 | 0 | 0 | 111.1 | Q180 | Q180-L182 HydrophobicContact CG-CD1 3.88Š| ||
| 183 | C | 34.4 | Very low | 39.4 | Very low | 135 Ų | 135 | 141 Ų | 141 | 91% | 0.912 | 78% | 0.779 | S | S | * | * | trans | -126.3 | 87.2 | 154.7 | -69 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 184 | H | 39.2 | Very low | 39.4 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | trans | -81.3 | 151.8 | 173.8 | -80.4 | 45.3 | 0 | 0 | 0 | 111.2 | ||||
| 185 | S | 35.7 | Very low | 39.3 | Very low | 105 Ų | 105 | 141 Ų | 141 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | 69.1 | 137.4 | 149.2 | -83.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 186 | Q | 38.5 | Very low | 39.5 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | cis | -146.6 | 153.6 | -13 | -71.4 | -158.3 | 41.8 | 0 | 0 | 109.7 | ||||
| 187 | N | 39.2 | Very low | 39.2 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | -77.8 | 140.4 | 161.1 | -84.7 | -58.7 | 0 | 0 | 0 | 110.4 | ||||
| 188 | R | 40.1 | Very low | 39.1 | Very low | 221 Ų | 221 | 137.4 Ų | 137.4 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | -144.7 | 116.2 | 164.8 | -160 | 177.5 | -167.9 | -124 | 1.4 | 111.8 | ||||
| 189 | P | 48.1 | Very low | 38.5 | Very low | 118 Ų | 118 | 139 Ų | 139 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | trans | -100.3 | 121.9 | -178.7 | 34.6 | -29.8 | 0 | 0 | 0 | 113.4 | ||||
| 190 | L | 39.7 | Very low | 38.5 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | trans | -161.4 | 147.8 | 167.7 | -75.4 | -176.6 | 0 | 0 | 0 | 107.3 | ||||
| 191 | H | 39.6 | Very low | 38.5 | Very low | 161 Ų | 161 | 137 Ų | 137 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | cis | -160.5 | 154 | -13.9 | -174.6 | -91.8 | 0 | 0 | 0 | 107.1 | G193 | H191-G193 PolarHBondContact O-N 3.12Š| ||
| 192 | P | 42.2 | Very low | 38.5 | Very low | 113 Ų | 113 | 141 Ų | 141 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -66.9 | 126.6 | -178.9 | -17.6 | 30.9 | 0 | 0 | 0 | 112.2 | ||||
| 193 | G | 32.1 | Very low | 38 | Very low | 72 Ų | 72 | 144.4 Ų | 144.4 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | -102.5 | 117.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | H191 C195 | H191-G193 PolarHBondContact O-N 3.12Å; G193-C195 PolarHBondContact O-N 3Å | ||
| 194 | H | 37.7 | Very low | 38 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | trans | -87.4 | 103.5 | -178.6 | -172.3 | -97.6 | 0 | 0 | 0 | 110.9 | S196 | H194-S196 PolarHBondContact CE1-OG 3.29Å; H194-S196 PolarHBondContact ND1-OG 3.22Å; H194-S196 PolarHBondContact O-N 3.11Å | ||
| 195 | C | 40 | Very low | 37.7 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -93.3 | 88 | 177.6 | -72.7 | 0 | 0 | 0 | 0 | 111.8 | G193 | G193-C195 PolarHBondContact O-N 3Š| ||
| 196 | S | 37 | Very low | 37.3 | Very low | 91 Ų | 91 | 148 Ų | 148 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | -86.5 | 122.4 | 165.5 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | H194 | H194-S196 PolarHBondContact CE1-OG 3.29Å; H194-S196 PolarHBondContact ND1-OG 3.22Å; H194-S196 PolarHBondContact O-N 3.11Å | ||
| 197 | F | 38.6 | Very low | 37.1 | Very low | 200 Ų | 200 | 144.6 Ų | 144.6 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | -111.4 | 112.1 | 172 | -93.7 | -84.6 | 0 | 0 | 0 | 112 | ||||
| 198 | G | 34.8 | Very low | 36.8 | Very low | 66 Ų | 66 | 146.8 Ų | 146.8 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | trans | 35 | 99.5 | 148.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | N200 | G198-N200 PolarHBondContact O-N 3.4Š| ||
| 199 | V | 36 | Very low | 36.5 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | -66.4 | 108.5 | 151 | -83.6 | 0 | 0 | 0 | 0 | 109.9 | Q201 | V199-Q201 PolarHBondContact O-N 3.46Š| ||
| 200 | N | 36.2 | Very low | 36.6 | Very low | 164 Ų | 164 | 139.8 Ų | 139.8 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -79.9 | 98.6 | 170.8 | -86 | -36.6 | 0 | 0 | 0 | 110.1 | G198 L202 | G198-N200 PolarHBondContact O-N 3.4Å; N200-L202 PolarHBondContact O-N 2.92Å | ||
| 201 | Q | 38.5 | Very low | 36.5 | Very low | 188 Ų | 188 | 142.7 Ų | 142.7 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | -80.2 | 111.5 | 163.7 | -69 | -147.2 | 98.1 | 0 | 0 | 110.2 | V199 | V199-Q201 PolarHBondContact O-N 3.46Š| ||
| 202 | L | 37.7 | Very low | 36.3 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -131.2 | 82.6 | 163.9 | -161 | 70.2 | 0 | 0 | 0 | 107.8 | N200 | N200-L202 PolarHBondContact O-N 2.92Š| ||
| 203 | R | 32.4 | Very low | 35.9 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | 71.4 | 83.3 | 99 | -165.7 | -179.5 | -165.9 | -178.7 | 4.9 | 112.4 | Q205 | R203-Q205 HydrophobicContact CG-CG 4.42Å; R203-Q205 PolarHBondContact O-N 3.4Å | |||
| 204 | T | 35 | Very low | 36.5 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -51.2 | 120.3 | 157.7 | -46.6 | 0 | 0 | 0 | 0 | 110.1 | Y206 | T204-Y206 HydrophobicContact CG2-CE1 4.48Š| ||
| 205 | Q | 32.1 | Very low | 36.8 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 67% | 0.668 | 80% | 0.796 | S | S | * | * | trans | -137.9 | 140.7 | 154.5 | -75.9 | -158 | -29 | 0 | 0 | 110.9 | R203 | R203-Q205 HydrophobicContact CG-CG 4.42Å; R203-Q205 PolarHBondContact O-N 3.4Å | ||
| 206 | Y | 27.4 | Very low | 37.3 | Very low | 206 Ų | 206 | 140.7 Ų | 140.7 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | -78.9 | 149.8 | -166.4 | -41.8 | -95.7 | 0 | 0 | 0 | 111.5 | T204 | T204-Y206 HydrophobicContact CG2-CE1 4.48Š| ||
| 207 | A | 35.3 | Very low | 37.3 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | trans | -145.5 | 109.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 208 | E | 32.3 | Very low | 37.2 | Very low | 207 Ų | 207 | 138 Ų | 138 | 97% | 0.967 | 79% | 0.794 | S | S | * | * | trans | -90.3 | 148.4 | 170.3 | -120.9 | -170.3 | 136 | 0 | 0 | 109.7 | ||||
| 209 | G | 34.1 | Very low | 37.7 | Very low | 71 Ų | 71 | 139.2 Ų | 139.2 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | 169.7 | 141.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 210 | P | 50.5 | Low | 38 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -130.2 | 163 | -131.5 | 41 | -26.6 | 0 | 0 | 0 | 117.5 | ||||
| 211 | Q | 36.1 | Very low | 38.1 | Very low | 197 Ų | 197 | 144.2 Ų | 144.2 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | 67 | 137.1 | 141.5 | -159.4 | 168.8 | 42.3 | 0 | 0 | 120.9 | ||||
| 212 | G | 35.8 | Very low | 38 | Very low | 70 Ų | 70 | 140.5 Ų | 140.5 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | 139.1 | 61.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 213 | D | 34.8 | Very low | 38.5 | Very low | 155 Ų | 155 | 139 Ų | 139 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | 88 | 144.1 | 82.2 | -140.3 | -7.3 | 0 | 0 | 0 | 114.9 | |||||
| 214 | V | 44.9 | Very low | 39.6 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | trans | -60.5 | 143.8 | -157 | 173.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 215 | S | 42.9 | Very low | 39.6 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -154.2 | 130.1 | 138.3 | -164 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 216 | V | 50.1 | Low | 40 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | -109.7 | 150.7 | 166.5 | -70.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 217 | D | 38.4 | Very low | 40.8 | Very low | 156 Ų | 156 | 133.3 Ų | 133.3 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | 174.8 | 157.4 | 122.2 | -163.3 | -144.3 | 0 | 0 | 0 | 114.7 | |||||
| 218 | A | 36.2 | Very low | 41.3 | Very low | 79 Ų | 79 | 134.1 Ų | 134.1 | 65% | 0.653 | 81% | 0.813 | S | S | * | * | trans | 45.4 | 114.4 | 150.9 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 219 | A | 43.9 | Very low | 41.7 | Very low | 91 Ų | 91 | 129.3 Ų | 129.3 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -54.8 | 149.4 | 155.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 220 | L | 43.1 | Very low | 42.1 | Very low | 171 Ų | 171 | 131.4 Ų | 131.4 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | trans | -143.4 | 98.6 | 150.9 | -78.5 | -176 | 0 | 0 | 0 | 113.4 | ||||
| 221 | R | 37.5 | Very low | 41.7 | Very low | 240 Ų | 240 | 135 Ų | 135 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | 33.6 | 129.1 | 126.8 | -154.4 | 164 | 170.7 | 179.2 | -5.5 | 121.5 | |||||
| 222 | S | 37.6 | Very low | 42.1 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | -66.5 | 171.6 | 177.9 | -21.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 223 | P | 47.2 | Very low | 42.5 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | -150.3 | -175.6 | 70.4 | 40.9 | -19.2 | 0 | 0 | 0 | 116.5 | |||||
| 224 | P | 55.7 | Low | 42.6 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | -109.6 | 154.4 | -165.8 | 39.8 | -32.7 | 0 | 0 | 0 | 117.5 | ||||
| 225 | A | 34.9 | Very low | 42.7 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -154.8 | 153.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 226 | S | 40.2 | Very low | 42.8 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | cis | -149.9 | 150.8 | 13.6 | 49.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 227 | Q | 45 | Very low | 42.4 | Very low | 189 Ų | 189 | 137.5 Ų | 137.5 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 141.7 | 168.2 | -66.3 | -171.5 | -69 | 0 | 0 | 111.1 | ||
| 228 | P | 45.7 | Very low | 42.7 | Very low | 122 Ų | 122 | 136 Ų | 136 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 129.3 | 148.4 | 31.4 | -27.9 | 0 | 0 | 0 | 110.6 | ||
| 229 | S | 41.9 | Very low | 43.2 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 145 | 177.8 | -177.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 230 | C | 41.8 | Very low | 43.7 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | 51.3 | 104.8 | 152.9 | -69.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 231 | Q | 40.8 | Very low | 44.5 | Very low | 198 Ų | 198 | 136.1 Ų | 136.1 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | -146.7 | 132.6 | 118.1 | -131.3 | 169.6 | 69.5 | 0 | 0 | 112 | C233 | Q231-C233 PolarHBondContact O-N 3.25Å; Q231-C233 VanDerWaalsContact O-N 3.12Å | |||
| 232 | M | 44.9 | Very low | 45.7 | Very low | 160 Ų | 160 | 125.9 Ų | 125.9 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | trans | -72.2 | 99 | 178.8 | -79.9 | -79.9 | -68.4 | 0 | 0 | 110.3 | ||||
| 233 | C | 45.1 | Very low | 47.1 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 78% | 0.777 | 73% | 0.731 | S | S | * | * | trans | -93.8 | 144.4 | 159.3 | -156.3 | 0 | 0 | 0 | 0 | 109.2 | Q231 | Q231-C233 PolarHBondContact O-N 3.25Å; Q231-C233 VanDerWaalsContact O-N 3.12Å | ||
| 234 | G | 36.2 | Very low | 47.9 | Very low | 58 Ų | 58 | 126.1 Ų | 126.1 | 60% | 0.598 | 72% | 0.721 | S | S | * | * | trans | -54 | 137.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113 | D236 | G234-D236 PolarHBondContact O-N 2.93Å; G234-D236 VanDerWaalsContact O-N 3.13Å | ||
| 235 | K | 47.9 | Very low | 48.3 | Very low | 171 Ų | 171 | 126.5 Ų | 126.5 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -87.1 | 28.9 | -171.4 | -63.9 | 174.8 | -179.5 | 175.2 | 0 | 112.7 | ||
| 236 | D | 44.2 | Very low | 50 | Low | 126 Ų | 126 | 126 Ų | 126 | 67% | 0.674 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -133.9 | 135.7 | -171.1 | -54.7 | -77 | 0 | 0 | 0 | 108.2 | G234 | G234-D236 PolarHBondContact O-N 2.93Å; G234-D236 VanDerWaalsContact O-N 3.13Å |
| 237 | F | 41.6 | Very low | 51.6 | Low | 209 Ų | 209 | 121.7 Ų | 121.7 | 92% | 0.917 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 75.2 | 14.4 | -176.6 | -54.6 | -78.8 | 0 | 0 | 0 | 119 | ||
| 238 | C | 45.5 | Very low | 52.2 | Low | 124 Ų | 124 | 118.4 Ų | 118.4 | 84% | 0.838 | 68% | 0.676 | S | S | * | * | trans | -106.6 | 45 | 165.2 | -75 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 239 | I | 47 | Very low | 52.6 | Low | 128 Ų | 128 | 118.2 Ų | 118.2 | 66% | 0.656 | 67% | 0.67 | S | S | * | * | trans | -85.2 | 122.7 | 161.9 | -57.9 | 179 | 0 | 0 | 0 | 107.5 | L241 | I239-L241 HydrophobicContact CB-CG 4.34Å; I239-L241 HydrophobicContact CG2-CD2 4.06Å; I239-L241 HydrophobicContact CG2-CG 4.14Å; I239-L241 PolarHBondContact O-N 3.21Å | ||
| 240 | P | 53.8 | Low | 53.1 | Low | 108 Ų | 108 | 118.8 Ų | 118.8 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | trans | -69.9 | 87.5 | 164.7 | -4.4 | 21.3 | 0 | 0 | 0 | 107.6 | V242 | P240-V242 PolarHBondContact O-N 3.06Š| ||
| 241 | L | 60.2 | Low | 53.7 | Low | 108 Ų | 108 | 119.1 Ų | 119.1 | 57% | 0.565 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -62.2 | -11.7 | -177.3 | -74.2 | 160.2 | 0 | 0 | 0 | 113.2 | H128 I239 | H128-L241 PolarHBondContact CE1-O 3.05Å; I239-L241 HydrophobicContact CB-CG 4.34Å; I239-L241 HydrophobicContact CG2-CD2 4.06Å; I239-L241 HydrophobicContact CG2-CG 4.14Å; I239-L241 PolarHBondContact O-N 3.21Å |
| 242 | V | 62.6 | Low | 54.5 | Low | 25 Ų | 25 | 114.4 Ų | 114.4 | 15% | 0.152 | 64% | 0.644 | C | S | . | * | S | Bend | trans | -144.3 | 143.7 | 163.3 | -132.5 | 0 | 0 | 0 | 0 | 109.6 | H128 P240 Y246 W247 | H128-V242 VanDerWaalsContact CE1-CG2 3.49Å; H128-V242 WeakPolarHBondContact CE1-CG2 3.36Å; P240-V242 PolarHBondContact O-N 3.06Å; V242-Y246 HydrophobicContact CB-CD1 4Å; V242-Y246 HydrophobicContact CB-CG 4.06Å; V242-Y246 VanDerWaalsContact CG1-CB 3.47Å; V242-Y246 HydrophobicContact CG1-CD1 3.72Å; V242-Y246 HydrophobicContact CG1-CD2 3.82Å; V242-Y246 HydrophobicContact CG1-CE1 4.36Å; V242-Y246 HydrophobicContact CG1-CE2 4.45Å; V242-Y246 HydrophobicContact CG1-CG 3.4Å; V242-Y246 VanDerWaalsContact CG1-CG 3.4Å; V242-Y246 HydrophobicContact CG2-CD1 3.91Å; V242-Y246 HydrophobicContact CG2-CE1 4.3Å; V242-Y246 HydrophobicContact CG2-CG 4.45Å; V242-W247 HydrophobicContact CG2-CZ2 3.71Å |
| 243 | P | 67.1 | Low | 55.1 | Low | 82 Ų | 82 | 111.6 Ų | 111.6 | 53% | 0.532 | 64% | 0.635 | S | S | . | * | trans | -50.3 | 154.9 | 167 | -29.9 | 36.9 | 0 | 0 | 0 | 113.1 | D245 Y246 | P243-D245 PolarHBondContact O-N 2.75Å; P243-D245 VanDerWaalsContact O-N 3.15Å; P243-Y246 PolarHBondContact O-N 3.36Å | ||
| 244 | R | 63.1 | Low | 55.8 | Low | 161 Ų | 161 | 111.3 Ų | 111.3 | 61% | 0.608 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -51.6 | -39.3 | 178.6 | -81.6 | -73.2 | -178.9 | -164.9 | 2 | 112 | S105 Y246 W247 | S105-R244 PolarHBondContact O-NH1 2.97Å; S105-R244 PolarHBondContact O-NH2 2.93Å; R244-Y246 PolarHBondContact O-N 2.9Å; R244-W247 WeakPolarHBondContact O-CA 3.46Å; R244-W247 WeakPolarHBondContact O-CB 3.3Å; R244-W247 PolarHBondContact O-N 3.49Å |
| 245 | D | 65.8 | Low | 57.2 | Low | 137 Ų | 137 | 115.1 Ų | 115.1 | 73% | 0.733 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -63.9 | -25.1 | -173.2 | -36.8 | -59.1 | 0 | 0 | 0 | 113.5 | P243 W247 G248 | P243-D245 PolarHBondContact O-N 2.75Å; P243-D245 VanDerWaalsContact O-N 3.15Å; D245-W247 PolarHBondContact O-N 3.29Å; D245-G248 PolarHBondContact O-N 3.3Å |
| 246 | Y | 70.8 | Confident | 57.9 | Low | 92 Ų | 92 | 110.8 Ų | 110.8 | 36% | 0.361 | 62% | 0.619 | S | S | . | * | G | 310 helix | trans | -67.3 | -27.1 | 173.1 | -174.6 | -97.6 | 0 | 0 | 0 | 112.4 | R124 H128 V242 P243 R244 G248 | R124-Y246 HydrophobicContact CB-CE1 4.43Å; R124-Y246 PolarHBondContact NH1-O 3.38Å; H128-Y246 HydrophobicContact CB-CE1 4.1Å; V242-Y246 HydrophobicContact CB-CD1 4Å; V242-Y246 HydrophobicContact CB-CG 4.06Å; V242-Y246 VanDerWaalsContact CG1-CB 3.47Å; V242-Y246 HydrophobicContact CG1-CD1 3.72Å; V242-Y246 HydrophobicContact CG1-CD2 3.82Å; V242-Y246 HydrophobicContact CG1-CE1 4.36Å; V242-Y246 HydrophobicContact CG1-CE2 4.45Å; V242-Y246 HydrophobicContact CG1-CG 3.4Å; V242-Y246 VanDerWaalsContact CG1-CG 3.4Å; V242-Y246 HydrophobicContact CG2-CD1 3.91Å; V242-Y246 HydrophobicContact CG2-CE1 4.3Å; V242-Y246 HydrophobicContact CG2-CG 4.45Å; P243-Y246 PolarHBondContact O-N 3.36Å; R244-Y246 PolarHBondContact O-N 2.9Å; Y246-G248 VanDerWaalsContact C-N 3.35Å |
| 247 | W | 73.3 | Confident | 59 | Low | 22 Ų | 22 | 109.6 Ų | 109.6 | 8% | 0.083 | 61% | 0.614 | C | S | . | * | G | 310 helix | trans | -89.8 | -1.1 | -179.4 | -57.1 | 105.1 | 0 | 0 | 0 | 113.4 | P103 V106 L121 R124 Y125 V242 R244 D245 | P103-W247 HydrophobicContact CG-CH2 4.46Å; P103-W247 HydrophobicContact CG-CZ2 4.41Å; V106-W247 HydrophobicContact CG1-CB 3.63Å; V106-W247 HydrophobicContact CG1-CD2 3.55Å; V106-W247 HydrophobicContact CG1-CE3 4.01Å; V106-W247 HydrophobicContact CG1-CG 3.37Å; V106-W247 HydrophobicContact CG2-CE3 4.42Å; L121-W247 HydrophobicContact CD2-CE3 3.75Å; L121-W247 HydrophobicContact CD2-CZ3 4.31Å; R124-W247 HydrophobicContact CB-CZ3 4.07Å; R124-W247 PolarHBondContact NH1-O 3.18Å; R124-W247 PolarHBondContact NH2-O 3.09Å; Y125-W247 AromaticContact CD2-CH2 3.85Å; Y125-W247 HydrophobicContact CD2-CH2 3.85Å; Y125-W247 HydrophobicContact CD2-CZ2 4.49Å; Y125-W247 HydrophobicContact CG-CH2 4.25Å; V242-W247 HydrophobicContact CG2-CZ2 3.71Å; R244-W247 WeakPolarHBondContact O-CA 3.46Å; R244-W247 WeakPolarHBondContact O-CB 3.3Å; R244-W247 PolarHBondContact O-N 3.49Å; D245-W247 PolarHBondContact O-N 3.29Å |
| 248 | G | 57.8 | Low | 60.6 | Low | 119 Ų | 119 | 100.5 Ų | 100.5 | 100% | 1.227 | 59% | 0.587 | S | S | * | * | trans | 88.8 | 0 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D245 Y246 | D245-G248 PolarHBondContact O-N 3.3Å; Y246-G248 VanDerWaalsContact C-N 3.35Å |
Retrieved 248 of 248 residues in 140.9 ms
(Link to these results)