| 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 | 49 | Very low | 41.6 | Very low | 222 Ų | 222 | 160.3 Ų | 160.3 | 100% | 1.094 | 80% | 0.799 | S | S | * | * | 0 | 30.7 | 0 | -148.9 | 176.9 | 173.1 | 0 | 0 | 113.2 | |||||
| 2 | L | 42.4 | Very low | 40.8 | Very low | 130 Ų | 130 | 155.4 Ų | 155.4 | 68% | 0.681 | 80% | 0.803 | S | S | * | * | trans | -128.5 | 2.1 | 178.3 | -90.6 | 159.5 | 0 | 0 | 0 | 114.2 | T5 | L2-T5 PolarHBondContact O-OG1 3.22Š| ||
| 3 | L | 39 | Very low | 40.2 | Very low | 135 Ų | 135 | 163.1 Ų | 163.1 | 71% | 0.707 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -90 | -7 | 171.3 | -102.9 | 99.7 | 0 | 0 | 0 | 114.5 | ||
| 4 | R | 45.2 | Very low | 39.8 | Very low | 232 Ų | 232 | 164 Ų | 164 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -82.8 | -16.2 | 176.8 | -81.3 | -171.8 | 174.6 | -165.1 | -1.1 | 113.9 | ||
| 5 | T | 44.8 | Very low | 39.1 | Very low | 88 Ų | 88 | 163.1 Ų | 163.1 | 54% | 0.54 | 81% | 0.814 | S | S | . | * | S | Bend | trans | -92.9 | -23.9 | -174.5 | 45.9 | 0 | 0 | 0 | 0 | 113.4 | L2 S8 | L2-T5 PolarHBondContact O-OG1 3.22Å; T5-S8 PolarHBondContact O-OG 3.01Å |
| 6 | L | 39.7 | Very low | 38.6 | Very low | 149 Ų | 149 | 158.8 Ų | 158.8 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -16.6 | -178.2 | -120.8 | 124.6 | 0 | 0 | 0 | 114.6 | ||
| 7 | W | 39.9 | Very low | 38 | Very low | 243 Ų | 243 | 153.5 Ų | 153.5 | 92% | 0.92 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -3.8 | 174.5 | -115.5 | 30.6 | 0 | 0 | 0 | 114.3 | ||
| 8 | S | 37 | Very low | 37.5 | Very low | 92 Ų | 92 | 151.6 Ų | 151.6 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -87.7 | -4.3 | -178.4 | 68.4 | 0 | 0 | 0 | 0 | 114.8 | T5 | T5-S8 PolarHBondContact O-OG 3.01Š|
| 9 | R | 42.6 | Very low | 37.3 | Very low | 227 Ų | 227 | 155.9 Ų | 155.9 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -113.9 | -2.5 | -173.2 | -96.3 | -172.8 | 167.9 | -159.9 | -2.6 | 116.8 | ||
| 10 | L | 40.4 | Very low | 37 | Very low | 164 Ų | 164 | 154.3 Ų | 154.3 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -133.4 | 95.2 | 168.7 | -88.7 | 103.9 | 0 | 0 | 0 | 109.1 | ||
| 11 | G | 37.8 | Very low | 36.6 | Very low | 81 Ų | 81 | 153.6 Ų | 153.6 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | 153.9 | 15.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 12 | A | 31.9 | Very low | 35.5 | Very low | 102 Ų | 102 | 148.4 Ų | 148.4 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -106.6 | 83 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 13 | R | 33.6 | Very low | 34.8 | Very low | 255 Ų | 255 | 149.6 Ų | 149.6 | 96% | 0.962 | 80% | 0.802 | S | S | * | * | trans | -129.5 | 106.3 | 147.3 | -93.2 | -171 | 172.1 | -164.8 | -1.7 | 106.2 | ||||
| 14 | Q | 34.3 | Very low | 34.3 | Very low | 176 Ų | 176 | 148.9 Ų | 148.9 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -106.9 | 159.7 | -178.4 | -140.6 | -174.5 | 0.8 | 0 | 0 | 110.5 | ||||
| 15 | L | 29.4 | Very low | 33.3 | Very low | 150 Ų | 150 | 143.1 Ų | 143.1 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | 84 | 135.9 | 161.6 | -96.9 | 79.6 | 0 | 0 | 0 | 117.1 | ||||
| 16 | A | 30.7 | Very low | 32.4 | Very low | 94 Ų | 94 | 144.1 Ų | 144.1 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | cis | -166.4 | 156 | 8.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 17 | G | 28 | Very low | 31.7 | Very low | 70 Ų | 70 | 143.4 Ų | 143.4 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | 154.9 | 86.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 18 | S | 29.8 | Very low | 31.1 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | 49 | 132.1 | 137.8 | -56.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 19 | R | 32.4 | Very low | 30.4 | Very low | 234 Ų | 234 | 141.6 Ų | 141.6 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | cis | -163.1 | 156 | 1.5 | -88.5 | 174.7 | 175.7 | 175.8 | -1.7 | 106 | ||||
| 20 | P | 31.5 | Very low | 29.6 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | trans | -93.6 | 144.2 | 177 | 34.8 | -29.7 | 0 | 0 | 0 | 113 | ||||
| 21 | V | 29.3 | Very low | 28.9 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | -105.1 | 122.6 | 165.1 | 173.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 22 | C | 26 | Very low | 28.2 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | -70.2 | 131.3 | 176.7 | -68.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 23 | I | 28.2 | Very low | 27.9 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | trans | -101.1 | 115.1 | 159.5 | -63.5 | 175.1 | 0 | 0 | 0 | 106.4 | ||||
| 24 | V | 28.3 | Very low | 27.6 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -82.5 | 117.3 | 172.7 | 172.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 25 | S | 24.7 | Very low | 27.2 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -93.2 | 117.6 | 165.4 | -48 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 26 | S | 25.6 | Very low | 27 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -113.5 | 109.3 | 168.3 | -67.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 27 | T | 25.2 | Very low | 26.7 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | trans | -82.3 | 137.3 | 163 | 28.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 28 | T | 25.6 | Very low | 26.6 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -135.1 | 113.4 | 154.8 | 22.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 29 | L | 23.7 | Very low | 26.4 | Very low | 152 Ų | 152 | 143.2 Ų | 143.2 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | trans | -47.6 | 147.9 | 156 | -106.6 | 102 | 0 | 0 | 0 | 110.8 | ||||
| 30 | T | 25.1 | Very low | 26 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | -162.2 | 149.9 | 122.6 | -54.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 31 | Q | 25.8 | Very low | 25.8 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -77.5 | 152.1 | -164.2 | -68.6 | 159.4 | -45.3 | 0 | 0 | 116.2 | ||||
| 32 | C | 23 | Very low | 26.2 | Very low | 117 Ų | 117 | 137 Ų | 137 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | 44.3 | 122.7 | 125.5 | -149.5 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 33 | L | 25.1 | Very low | 26.1 | Very low | 168 Ų | 168 | 139 Ų | 139 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | -170.6 | 120.5 | 129.5 | -101.6 | 147.3 | 0 | 0 | 0 | 111.3 | |||||
| 34 | K | 27.2 | Very low | 25.9 | Very low | 192 Ų | 192 | 137.4 Ų | 137.4 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -94.3 | 149.9 | 158.3 | -101.1 | -179 | 176.6 | 178.6 | 0 | 108.3 | ||||
| 35 | P | 27.4 | Very low | 25.7 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | -138.6 | 128.4 | 114.2 | 27.3 | -9.6 | 0 | 0 | 0 | 111.2 | |||||
| 36 | S | 25.3 | Very low | 25.5 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | 73.2 | 108.3 | 88.9 | 85.7 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 37 | N | 23.9 | Very low | 25.4 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | trans | 50.9 | 122.9 | 139.9 | -58.8 | -0.5 | 0 | 0 | 0 | 121 | ||||
| 38 | N | 25.6 | Very low | 25.3 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | -168.8 | 152.8 | 103 | -90.6 | -11.2 | 0 | 0 | 0 | 112.7 | |||||
| 39 | E | 24.6 | Very low | 25.1 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -64.6 | 149.6 | -171.5 | -64 | 159.5 | 124 | 0 | 0 | 115.1 | ||||
| 40 | S | 25.3 | Very low | 25.1 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | 158.7 | 125.4 | 115.1 | 49.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 41 | T | 26.8 | Very low | 25.1 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -100 | 176.3 | 159.2 | 44.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 42 | P | 37.6 | Very low | 24.9 | Very low | 110 Ų | 110 | 136 Ų | 136 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | cis | -132.3 | -170.2 | -29.3 | 26.4 | -3.2 | 0 | 0 | 0 | 111.4 | ||||
| 43 | M | 23.5 | Very low | 25 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 77% | 0.768 | 77% | 0.773 | S | S | * | * | trans | 124.1 | 121.8 | 144.4 | -71.9 | -87.8 | -143.7 | 0 | 0 | 116.9 | ||||
| 44 | I | 24 | Very low | 25 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 63% | 0.626 | 76% | 0.761 | S | S | * | * | 87.9 | 121.6 | 127.9 | -70.6 | 174.3 | 0 | 0 | 0 | 119.9 | |||||
| 45 | N | 23.7 | Very low | 24.8 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | trans | 90.4 | 114 | 142.9 | -74.9 | -2.9 | 0 | 0 | 0 | 123.2 | ||||
| 46 | S | 21.8 | Very low | 24.7 | Very low | 91 Ų | 91 | 143.2 Ų | 143.2 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | 74 | 139 | 115.6 | 78.3 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 47 | W | 23.3 | Very low | 24.6 | Very low | 237 Ų | 237 | 144 Ų | 144 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | trans | 87.5 | 102.1 | 154.3 | -74.7 | -25.2 | 0 | 0 | 0 | 119.7 | ||||
| 48 | S | 22.2 | Very low | 24.6 | Very low | 99 Ų | 99 | 144.8 Ų | 144.8 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | 23.6 | 122.2 | 120.8 | 58.2 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 49 | S | 22.9 | Very low | 24.5 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | -174.2 | 131.4 | 116.3 | 36.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 50 | T | 22.9 | Very low | 24.5 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -1 | 129.2 | 141.2 | -41.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 51 | T | 25.6 | Very low | 24.5 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 83% | 0.828 | 76% | 0.755 | S | S | * | * | trans | -160.9 | 115 | 134.1 | -71.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 52 | T | 22 | Very low | 24.4 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 69% | 0.693 | 76% | 0.759 | S | S | * | * | trans | -30.7 | 134.4 | 152 | -42.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 53 | R | 24.1 | Very low | 23.7 | Very low | 226 Ų | 226 | 149.3 Ų | 149.3 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | 179 | 116.3 | 123.5 | -107.9 | -178.3 | 170.6 | 179.9 | -3 | 115.1 | |||||
| 54 | T | 25.1 | Very low | 23.7 | Very low | 104 Ų | 104 | 148.3 Ų | 148.3 | 64% | 0.638 | 77% | 0.769 | S | S | * | * | 55.8 | 109.6 | 127.2 | 51.9 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 55 | F | 23 | Very low | 23.6 | Very low | 175 Ų | 175 | 151 Ų | 151 | 77% | 0.768 | 78% | 0.781 | S | S | * | * | 35.3 | 119.3 | 116.8 | -76.5 | -82.8 | 0 | 0 | 0 | 119.3 | L57 | F55-L57 HydrophobicContact CD1-CD1 3.91Å; F55-L57 HydrophobicContact CE1-CD1 4.25Å | |||
| 56 | Y | 24.8 | Very low | 23.7 | Very low | 237 Ų | 237 | 153.4 Ų | 153.4 | 93% | 0.929 | 79% | 0.787 | S | S | * | * | trans | -131.2 | 116.2 | 132 | -96.8 | -85.2 | 0 | 0 | 0 | 109.8 | ||||
| 57 | L | 23.6 | Very low | 23.7 | Very low | 112 Ų | 112 | 155.9 Ų | 155.9 | 59% | 0.586 | 79% | 0.793 | S | S | * | * | trans | -64.1 | 146.1 | 160 | -102.6 | 81.1 | 0 | 0 | 0 | 109.3 | F55 | F55-L57 HydrophobicContact CD1-CD1 3.91Å; F55-L57 HydrophobicContact CE1-CD1 4.25Å | ||
| 58 | N | 24.6 | Very low | 24 | Very low | 163 Ų | 163 | 150.4 Ų | 150.4 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -143.8 | 100 | 137 | -107.7 | -11.9 | 0 | 0 | 0 | 109.5 | ||||
| 59 | S | 23.4 | Very low | 24.1 | Very low | 85 Ų | 85 | 151.7 Ų | 151.7 | 59% | 0.594 | 79% | 0.792 | S | S | * | * | trans | -80.2 | 129.2 | 164.8 | 23.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 60 | F | 24.8 | Very low | 24.5 | Very low | 213 Ų | 213 | 151.8 Ų | 151.8 | 93% | 0.934 | 79% | 0.79 | S | S | * | * | trans | -112.9 | 118 | 152.4 | -106.1 | -86.8 | 0 | 0 | 0 | 107.9 | ||||
| 61 | N | 24 | Very low | 24.6 | Very low | 135 Ų | 135 | 152 Ų | 152 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | -100.1 | 132 | -175.3 | -148.6 | -4.7 | 0 | 0 | 0 | 107.2 | ||||
| 62 | Q | 26.3 | Very low | 24.8 | Very low | 193 Ų | 193 | 153.3 Ų | 153.3 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | -149.7 | 106.1 | 152.4 | -154.4 | 162.2 | 21.9 | 0 | 0 | 110 | ||||
| 63 | Q | 22.9 | Very low | 24.9 | Very low | 167 Ų | 167 | 157 Ų | 157 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | trans | -76.8 | 142.1 | 167.3 | -75.4 | 170.1 | -33.5 | 0 | 0 | 110.1 | ||||
| 64 | C | 23.4 | Very low | 25 | Very low | 135 Ų | 135 | 153.2 Ų | 153.2 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | trans | -153.9 | 126.1 | 140.3 | -93.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 65 | M | 21.5 | Very low | 24.9 | Very low | 179 Ų | 179 | 153.2 Ų | 153.2 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | trans | -68.9 | 137.8 | 173 | -74.6 | -83.9 | -147.7 | 0 | 0 | 111.4 | ||||
| 66 | H | 25.3 | Very low | 25 | Very low | 186 Ų | 186 | 151.8 Ų | 151.8 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | 173.6 | 123.4 | 132 | -100.8 | -69.5 | 0 | 0 | 0 | 111.5 | ||||
| 67 | N | 22.9 | Very low | 25.1 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -86.8 | 151.8 | 153.2 | -103.9 | -5.2 | 0 | 0 | 0 | 107.9 | ||||
| 68 | P | 29.4 | Very low | 25.1 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | -140.2 | 174.5 | 61 | 32.1 | -9.6 | 0 | 0 | 0 | 117 | |||||
| 69 | T | 23.9 | Very low | 25.2 | Very low | 125 Ų | 125 | 145.9 Ų | 145.9 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | trans | -52 | -176.3 | -177.2 | 51.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 70 | P | 31.8 | Very low | 25.3 | Very low | 117 Ų | 117 | 151.4 Ų | 151.4 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | -125.3 | 142.8 | -57.1 | 34.8 | -19.5 | 0 | 0 | 0 | 110.8 | |||||
| 71 | T | 24.3 | Very low | 25.6 | Very low | 125 Ų | 125 | 150.2 Ų | 150.2 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | trans | -133.5 | 121.6 | 170.4 | 46.5 | 0 | 0 | 0 | 0 | 111.9 | F73 | T71-F73 PolarHBondContact O-N 3.46Š| ||
| 72 | N | 29.2 | Very low | 25.8 | Very low | 163 Ų | 163 | 147.4 Ų | 147.4 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | trans | -40.1 | 113 | 171.6 | -68.3 | -43.4 | 0 | 0 | 0 | 112.6 | ||||
| 73 | F | 23.9 | Very low | 26.3 | Very low | 191 Ų | 191 | 142.4 Ų | 142.4 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | trans | -117 | 102.2 | 155.9 | -94.5 | -86.8 | 0 | 0 | 0 | 108.5 | T71 C75 | T71-F73 PolarHBondContact O-N 3.46Å; F73-C75 PolarHBondContact O-N 3.41Å | ||
| 74 | I | 26.2 | Very low | 26.8 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | -62.9 | 98.8 | 165.9 | -65.1 | 170.3 | 0 | 0 | 0 | 106.6 | N76 | I74-N76 PolarHBondContact O-N 2.91Š| ||
| 75 | C | 24.3 | Very low | 27.7 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 70% | 0.703 | 73% | 0.731 | S | S | * | * | trans | -91 | 91.7 | 166.1 | -170.7 | 0 | 0 | 0 | 0 | 107.7 | F73 Q77 | F73-C75 PolarHBondContact O-N 3.41Å; C75-Q77 VanDerWaalsContact C-N 3.26Å; C75-Q77 PolarHBondContact O-N 3.1Å | ||
| 76 | N | 25.3 | Very low | 28.4 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | trans | -66.3 | 85.8 | 167.8 | -91.7 | -11.8 | 0 | 0 | 0 | 109.4 | I74 A78 | I74-N76 PolarHBondContact O-N 2.91Å; N76-A78 VanDerWaalsContact C-N 3.33Å; N76-A78 PolarHBondContact O-N 2.87Å | ||
| 77 | Q | 25.9 | Very low | 28.9 | Very low | 142 Ų | 142 | 127.7 Ų | 127.7 | 66% | 0.664 | 68% | 0.682 | S | S | * | * | trans | -89.6 | 78.1 | 154.3 | -77.9 | -172.3 | 4.2 | 0 | 0 | 108.6 | C75 R79 | C75-Q77 VanDerWaalsContact C-N 3.26Å; C75-Q77 PolarHBondContact O-N 3.1Å; Q77-R79 PolarHBondContact O-N 3.46Å | ||
| 78 | A | 24 | Very low | 29.6 | Very low | 74 Ų | 74 | 123.5 Ų | 123.5 | 61% | 0.612 | 66% | 0.664 | S | S | * | * | trans | -68.5 | 87.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | N76 F80 | N76-A78 VanDerWaalsContact C-N 3.33Å; N76-A78 PolarHBondContact O-N 2.87Å; A78-F80 PolarHBondContact O-N 3.2Å | ||
| 79 | R | 27.2 | Very low | 30.2 | Very low | 171 Ų | 171 | 119.7 Ų | 119.7 | 65% | 0.645 | 64% | 0.639 | S | S | * | * | trans | -73.6 | 107.5 | 162.2 | -69.5 | -173.6 | -167.1 | 171.6 | 5.7 | 106.9 | Q77 Y81 | Q77-R79 PolarHBondContact O-N 3.46Å; R79-Y81 VanDerWaalsContact C-N 3.25Å; R79-Y81 HydrophobicContact CB-CD2 3.92Å; R79-Y81 HydrophobicContact CB-CE2 3.85Å; R79-Y81 PolarHBondContact O-N 2.98Å | ||
| 80 | F | 25.4 | Very low | 30.9 | Very low | 201 Ų | 201 | 118.4 Ų | 118.4 | 88% | 0.882 | 63% | 0.627 | S | S | * | * | trans | -65.2 | 84.4 | 171.3 | -74.3 | -88.9 | 0 | 0 | 0 | 109.8 | A78 | A78-F80 PolarHBondContact O-N 3.2Š| ||
| 81 | Y | 31.3 | Very low | 31 | Very low | 189 Ų | 189 | 119.3 Ų | 119.3 | 74% | 0.741 | 62% | 0.618 | S | S | * | * | trans | -86.9 | 103.9 | 159.2 | -77.2 | -83 | 0 | 0 | 0 | 107.6 | R79 S83 | R79-Y81 VanDerWaalsContact C-N 3.25Å; R79-Y81 HydrophobicContact CB-CD2 3.92Å; R79-Y81 HydrophobicContact CB-CE2 3.85Å; R79-Y81 PolarHBondContact O-N 2.98Å; Y81-S83 PolarHBondContact O-N 3.08Å | ||
| 82 | S | 27.1 | Very low | 31.4 | Very low | 75 Ų | 75 | 119 Ų | 119 | 52% | 0.524 | 62% | 0.618 | S | S | . | * | trans | -77.2 | 103.7 | 171.6 | -173.4 | 0 | 0 | 0 | 0 | 108.9 | N84 | S82-N84 PolarHBondContact O-N 2.89Å; S82-N84 VanDerWaalsContact O-N 3.16Å | ||
| 83 | S | 36.7 | Very low | 31.6 | Very low | 89 Ų | 89 | 117.6 Ų | 117.6 | 62% | 0.622 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -4.9 | 176.9 | 43.7 | 0 | 0 | 0 | 0 | 114.4 | Y81 | Y81-S83 PolarHBondContact O-N 3.08Š|
| 84 | N | 34.2 | Very low | 32.1 | Very low | 112 Ų | 112 | 115.9 Ų | 115.9 | 60% | 0.599 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -13.5 | -176.4 | -77.4 | -45.3 | 0 | 0 | 0 | 114.7 | S82 | S82-N84 PolarHBondContact O-N 2.89Å; S82-N84 VanDerWaalsContact O-N 3.16Å |
| 85 | I | 42.3 | Very low | 32.4 | Very low | 101 Ų | 101 | 117.9 Ų | 117.9 | 52% | 0.518 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.1 | -32.9 | -174.6 | -64.2 | 173.2 | 0 | 0 | 0 | 111.8 | S88 | I85-S88 PolarHBondContact O-OG 3.19Å; I85-S88 VanDerWaalsContact O-OG 3.13Å |
| 86 | V | 35.7 | Very low | 32.7 | Very low | 31 Ų | 31 | 119 Ų | 119 | 19% | 0.188 | 62% | 0.624 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -83.5 | -21.8 | -175.3 | -167.3 | 0 | 0 | 0 | 0 | 112.5 | S88 V89 | V86-S88 PolarHBondContact O-N 3.22Å; V86-S88 VanDerWaalsContact O-N 3.13Å; V86-V89 PolarHBondContact O-N 3.11Å |
| 87 | Q | 36.7 | Very low | 32.9 | Very low | 113 Ų | 113 | 118.1 Ų | 118.1 | 53% | 0.528 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -58 | -26.9 | 175.1 | -105.7 | -176.1 | 3 | 0 | 0 | 113.9 | ||
| 88 | S | 37.9 | Very low | 33.5 | Very low | 57 Ų | 57 | 119.5 Ų | 119.5 | 40% | 0.399 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -79.7 | -20 | -177.7 | 66 | 0 | 0 | 0 | 0 | 113.9 | I85 V86 | I85-S88 PolarHBondContact O-OG 3.19Å; I85-S88 VanDerWaalsContact O-OG 3.13Å; V86-S88 PolarHBondContact O-N 3.22Å; V86-S88 VanDerWaalsContact O-N 3.13Å |
| 89 | V | 40.8 | Very low | 34 | Very low | 42 Ų | 42 | 121.4 Ų | 121.4 | 26% | 0.255 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -84.9 | -27 | -175.2 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | V86 E314 T317 L318 | V86-V89 PolarHBondContact O-N 3.11Å; V89-E314 HydrophobicContact CG2-CG 4.25Å; V89-T317 HydrophobicContact CG2-CG2 4.3Å; V89-L318 HydrophobicContact CG1-CD2 4.44Å |
| 90 | L | 39.5 | Very low | 34.2 | Very low | 98 Ų | 98 | 118.1 Ų | 118.1 | 51% | 0.513 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -108.7 | -3.8 | -174.3 | -65.8 | 172.4 | 0 | 0 | 0 | 114.9 | ||
| 91 | K | 33.9 | Very low | 34.6 | Very low | 135 Ų | 135 | 114.8 Ų | 114.8 | 59% | 0.587 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -114.3 | 119.9 | 174.4 | -77.6 | -176.3 | 178.4 | 177.4 | 0 | 111.6 | T93 | K91-T93 PolarHBondContact O-N 3.13Š|
| 92 | P | 31.8 | Very low | 35 | Very low | 118 Ų | 118 | 112.3 Ų | 112.3 | 77% | 0.766 | 64% | 0.641 | S | S | * | * | trans | -70.8 | 103 | 169 | 28.2 | -29.6 | 0 | 0 | 0 | 108.6 | L94 | P92-L94 PolarHBondContact O-N 3.07Š| ||
| 93 | T | 34.3 | Very low | 35.4 | Very low | 134 Ų | 134 | 111.8 Ų | 111.8 | 82% | 0.822 | 65% | 0.648 | S | S | * | * | trans | -85 | 87.1 | 174.1 | -44.7 | 0 | 0 | 0 | 0 | 108.8 | K91 | K91-T93 PolarHBondContact O-N 3.13Š| ||
| 94 | L | 34.3 | Very low | 35.4 | Very low | 156 Ų | 156 | 117.9 Ų | 117.9 | 82% | 0.817 | 66% | 0.663 | S | S | * | * | trans | -106.6 | 118.5 | 171.4 | -82.3 | 161.4 | 0 | 0 | 0 | 109.9 | P92 | P92-L94 PolarHBondContact O-N 3.07Š| ||
| 95 | K | 32.8 | Very low | 35.8 | Very low | 189 Ų | 189 | 123 Ų | 123 | 82% | 0.822 | 67% | 0.674 | S | S | * | * | trans | -68.2 | 144 | 157.5 | -74.5 | -178.3 | 178.6 | 178.7 | 0 | 108.6 | V97 | K95-V97 PolarHBondContact O-N 3.32Å; K95-V97 VanDerWaalsContact O-N 3.15Å | ||
| 96 | P | 29.1 | Very low | 35.7 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 83% | 0.825 | 68% | 0.682 | S | S | * | * | trans | -76 | 109.6 | -170.1 | 29.1 | -31.2 | 0 | 0 | 0 | 110.7 | ||||
| 97 | V | 30.5 | Very low | 36.2 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 76% | 0.764 | 69% | 0.694 | S | S | * | * | trans | -93.4 | 118.2 | 153.7 | 176.7 | 0 | 0 | 0 | 0 | 106.1 | K95 V99 | K95-V97 PolarHBondContact O-N 3.32Å; K95-V97 VanDerWaalsContact O-N 3.15Å; V97-V99 HydrophobicContact CG1-CG2 4.16Å; V97-V99 PolarHBondContact O-N 3.35Å; V97-V99 VanDerWaalsContact O-N 3.09Å | ||
| 98 | I | 38 | Very low | 36.8 | Very low | 171 Ų | 171 | 126.5 Ų | 126.5 | 88% | 0.877 | 70% | 0.699 | S | S | * | * | trans | -63.2 | 108.2 | 179.1 | -64.6 | 162.1 | 0 | 0 | 0 | 108.2 | ||||
| 99 | V | 33.6 | Very low | 37.2 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 70% | 0.697 | 70% | 0.696 | S | S | * | * | trans | -135 | 140.7 | 168.1 | -175.5 | 0 | 0 | 0 | 0 | 106.8 | V97 | V97-V99 HydrophobicContact CG1-CG2 4.16Å; V97-V99 PolarHBondContact O-N 3.35Å; V97-V99 VanDerWaalsContact O-N 3.09Å | ||
| 100 | P | 31.4 | Very low | 37.4 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 66% | 0.656 | 70% | 0.695 | S | S | * | * | trans | -65.2 | 159.4 | -166.8 | -14.4 | 28.1 | 0 | 0 | 0 | 113.2 | T102 | P100-T102 PolarHBondContact O-N 3.24Å; P100-T102 VanDerWaalsContact O-N 3.08Å | ||
| 101 | P | 35.5 | Very low | 37.8 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 85% | 0.851 | 72% | 0.717 | S | S | * | * | trans | -74.8 | 106.5 | -165.2 | 31 | -31.9 | 0 | 0 | 0 | 110.5 | ||||
| 102 | T | 38.8 | Very low | 38.6 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 84% | 0.84 | 72% | 0.716 | S | S | * | * | trans | -94.8 | 125.3 | 158.7 | 50.4 | 0 | 0 | 0 | 0 | 107.6 | P100 | P100-T102 PolarHBondContact O-N 3.24Å; P100-T102 VanDerWaalsContact O-N 3.08Å | ||
| 103 | G | 35.7 | Very low | 39.5 | Very low | 64 Ų | 64 | 133.8 Ų | 133.8 | 66% | 0.66 | 72% | 0.718 | S | S | * | * | trans | -52.3 | 139.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R105 | G103-R105 PolarHBondContact O-N 3.04Š| ||
| 104 | K | 36.8 | Very low | 40.8 | Very low | 217 Ų | 217 | 128 Ų | 128 | 94% | 0.943 | 68% | 0.681 | S | S | * | * | trans | -56 | 106 | 168.1 | -66.7 | -177 | 178.3 | -176.1 | 0 | 107.7 | ||||
| 105 | R | 42 | Very low | 41.9 | Very low | 219 Ų | 219 | 121.9 Ų | 121.9 | 83% | 0.826 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 139.4 | 171.3 | -71 | 179.6 | -179.5 | 167.3 | -0.3 | 107.5 | G103 | G103-R105 PolarHBondContact O-N 3.04Š|
| 106 | P | 40.5 | Very low | 43.1 | Very low | 106 Ų | 106 | 113.4 Ų | 113.4 | 69% | 0.688 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 152.2 | 171.6 | 25.7 | -33 | 0 | 0 | 0 | 109.4 | K108 | P106-K108 PolarHBondContact O-N 3.44Š|
| 107 | P | 46.8 | Very low | 44.8 | Very low | 66 Ų | 66 | 111.8 Ų | 111.8 | 43% | 0.429 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -49.9 | 127.4 | 174.8 | 19.4 | -29.8 | 0 | 0 | 0 | 109 | G109 | P107-G109 PolarHBondContact O-N 3.39Å; P107-G109 VanDerWaalsContact O-N 3.1Å |
| 108 | K | 48 | Very low | 46 | Very low | 147 Ų | 147 | 109.2 Ų | 109.2 | 64% | 0.639 | 58% | 0.581 | S | S | * | * | trans | -66.2 | 114.2 | 175.7 | -73.1 | 179.9 | -165.8 | 157.1 | 0 | 106.6 | P106 E286 | P106-K108 PolarHBondContact O-N 3.44Å; K108-E286 IonicContact NZ-OE1 2.79Å; K108-E286 PolarHBondContact NZ-OE1 3.06Å; K108-E286 IonicContact NZ-OE2 3.87Å | ||
| 109 | G | 47.8 | Very low | 46.9 | Very low | 33 Ų | 33 | 104.6 Ų | 104.6 | 34% | 0.34 | 56% | 0.558 | S | S | . | * | trans | -60.1 | 163.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P107 W224 | P107-G109 PolarHBondContact O-N 3.39Å; P107-G109 VanDerWaalsContact O-N 3.1Å; G109-W224 VanDerWaalsContact CA-NE1 3.3Å | ||
| 110 | P | 44.4 | Very low | 48.1 | Very low | 37 Ų | 37 | 106.5 Ų | 106.5 | 24% | 0.24 | 56% | 0.559 | C | S | . | * | trans | -62.8 | 142.7 | -175.7 | 22.5 | -28.5 | 0 | 0 | 0 | 110.1 | T112 E225 | P110-T112 PolarHBondContact O-N 2.67Å; P110-T112 VanDerWaalsContact O-N 3.14Å; P110-E225 VanDerWaalsContact CD-OE1 3.22Å; P110-E225 WeakPolarHBondContact CD-OE1 3.42Å | ||
| 111 | R | 48.8 | Very low | 49.3 | Very low | 254 Ų | 254 | 103 Ų | 103 | 96% | 0.958 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -71.4 | -4.8 | -177.6 | -142.6 | 170.9 | -177.1 | 152.6 | -2 | 112.9 | ||
| 112 | T | 49.4 | Very low | 50.2 | Low | 94 Ų | 94 | 99.7 Ų | 99.7 | 58% | 0.577 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -118.8 | 120.3 | 178.7 | 39.5 | 0 | 0 | 0 | 0 | 109.6 | P110 Q114 | P110-T112 PolarHBondContact O-N 2.67Å; P110-T112 VanDerWaalsContact O-N 3.14Å; T112-Q114 PolarHBondContact O-N 3.27Å |
| 113 | K | 52.1 | Low | 50.9 | Low | 186 Ų | 186 | 102.4 Ų | 102.4 | 81% | 0.809 | 52% | 0.517 | S | S | * | . | trans | -62.5 | 124 | 170.9 | -66.4 | -174.6 | 177.1 | -174 | 0 | 108.2 | ||||
| 114 | Q | 61.4 | Low | 51.6 | Low | 11 Ų | 11 | 108.4 Ų | 108.4 | 5% | 0.051 | 52% | 0.524 | C | S | . | . | trans | -55.5 | 136 | 172.2 | -73 | 159.5 | -55.5 | 0 | 0 | 109.1 | T112 S116 R117 S118 E227 | T112-Q114 PolarHBondContact O-N 3.27Å; Q114-S116 WeakPolarHBondContact CB-OG 3.36Å; Q114-S116 PolarHBondContact O-N 3.42Å; Q114-R117 HydrophobicContact CB-CG 4.37Å; Q114-R117 PolarHBondContact O-N 2.85Å; Q114-S118 PolarHBondContact O-N 2.9Å; Q114-S118 PolarHBondContact O-OG 3.32Å; Q114-E227 VanDerWaalsContact CG-OE1 3.29Å; Q114-E227 WeakPolarHBondContact CG-OE1 3.19Å; Q114-E227 PolarHBondContact NE2-OE1 2.52Å | ||
| 115 | P | 56.2 | Low | 52.6 | Low | 29 Ų | 29 | 103.4 Ų | 103.4 | 19% | 0.188 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -55.2 | -36 | -177.7 | -26.1 | 33.8 | 0 | 0 | 0 | 113.6 | S118 N119 F351 | P115-S118 WeakPolarHBondContact CA-OG 3.47Å; P115-S118 PolarHBondContact O-N 2.96Å; P115-S118 PolarHBondContact O-OG 3.06Å; P115-N119 PolarHBondContact O-N 3.46Å; P115-N119 PolarHBondContact O-ND2 3.11Å; P115-F351 HydrophobicContact CB-CZ 4.48Å |
| 116 | S | 58.6 | Low | 53.5 | Low | 11 Ų | 11 | 96.2 Ų | 96.2 | 8% | 0.077 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -54.8 | -50.7 | 172.7 | 50.4 | 0 | 0 | 0 | 0 | 112 | Q114 S118 N119 E227 E228 | Q114-S116 WeakPolarHBondContact CB-OG 3.36Å; Q114-S116 PolarHBondContact O-N 3.42Å; S116-S118 VanDerWaalsContact C-N 3.29Å; S116-S118 PolarHBondContact O-N 2.93Å; S116-N119 PolarHBondContact O-N 3.42Å; S116-E227 WeakPolarHBondContact CB-OE2 3.42Å; S116-E227 PolarHBondContact OG-OE2 3.41Å; S116-E228 WeakPolarHBondContact CB-O 3.31Å |
| 117 | R | 64.3 | Low | 54.6 | Low | 92 Ų | 92 | 98.9 Ų | 98.9 | 35% | 0.347 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.2 | -21 | -178.9 | -66.8 | -177.7 | 171.5 | 170.7 | -8.2 | 113.9 | Q114 W224 N226 | Q114-R117 HydrophobicContact CB-CG 4.37Å; Q114-R117 PolarHBondContact O-N 2.85Å; R117-W224 VanDerWaalsContact CZ-O 3.27Å; R117-W224 PolarHBondContact NH1-O 2.93Å; R117-W224 PolarHBondContact NH2-O 3.06Å; R117-N226 PolarHBondContact NH2-O 3.16Å; R117-N226 PolarHBondContact NH2-OD1 3.27Å |
| 118 | S | 56 | Low | 55.9 | Low | 72 Ų | 72 | 101.9 Ų | 101.9 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -82.7 | -20.7 | 174.4 | 44 | 0 | 0 | 0 | 0 | 114.3 | Q114 P115 S116 | Q114-S118 PolarHBondContact O-N 2.9Å; Q114-S118 PolarHBondContact O-OG 3.32Å; P115-S118 WeakPolarHBondContact CA-OG 3.47Å; P115-S118 PolarHBondContact O-N 2.96Å; P115-S118 PolarHBondContact O-OG 3.06Å; S116-S118 VanDerWaalsContact C-N 3.29Å; S116-S118 PolarHBondContact O-N 2.93Å |
| 119 | N | 57.9 | Low | 57.6 | Low | 74 Ų | 74 | 95.6 Ų | 95.6 | 40% | 0.396 | 47% | 0.471 | S | S | . | . | trans | -104.2 | 42.7 | -176.8 | -68.5 | -30.3 | 0 | 0 | 0 | 111.8 | P115 S116 P121 | P115-N119 PolarHBondContact O-N 3.46Å; P115-N119 PolarHBondContact O-ND2 3.11Å; S116-N119 PolarHBondContact O-N 3.42Å; N119-P121 WeakPolarHBondContact O-CD 3.14Å | ||
| 120 | Q | 58 | Low | 59.6 | Low | 156 Ų | 156 | 94.2 Ų | 94.2 | 73% | 0.729 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 127 | 174.3 | -78 | -173.7 | -9.3 | 0 | 0 | 110.2 | ||
| 121 | P | 57.1 | Low | 61.9 | Low | 26 Ų | 26 | 96.4 Ų | 96.4 | 17% | 0.169 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 169.6 | 177.6 | 24 | -26.8 | 0 | 0 | 0 | 111.7 | N119 E125 M129 N230 | N119-P121 WeakPolarHBondContact O-CD 3.14Å; P121-E125 HydrophobicContact CB-CB 4.3Å; P121-M129 HydrophobicContact CB-CE 3.49Å; P121-M129 VanDerWaalsContact CB-CE 3.49Å; P121-M129 HydrophobicContact CB-SD 4.38Å; P121-M129 HydrophobicContact CG-CE 3.06Å; P121-M129 HydrophobicContact CG-SD 4.02Å; P121-N230 WeakPolarHBondContact CD-ND2 3.37Å; P121-N230 WeakPolarHBondContact CG-ND2 3.27Å |
| 122 | S | 53.8 | Low | 64 | Low | 62 Ų | 62 | 84.3 Ų | 84.3 | 43% | 0.434 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 149.4 | 179.1 | 70.3 | 0 | 0 | 0 | 0 | 110.9 | K124 E125 D126 | S122-K124 PolarHBondContact O-N 3.36Å; S122-E125 PolarHBondContact N-OE2 3.39Å; S122-E125 PolarHBondContact O-N 3.1Å; S122-E125 VanDerWaalsContact OG-CD 3.24Å; S122-E125 PolarHBondContact OG-OE2 3.06Å; S122-D126 PolarHBondContact O-N 2.95Å |
| 123 | K | 53.4 | Low | 66.1 | Low | 195 Ų | 195 | 80.5 Ų | 80.5 | 85% | 0.848 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -19.4 | -177.5 | -70.5 | -173.7 | 176.9 | -175.1 | 0 | 115.7 | ||
| 124 | K | 51.2 | Low | 68.1 | Low | 189 Ų | 189 | 71.7 Ų | 71.7 | 82% | 0.822 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -27.7 | 178.1 | -77.2 | -173.1 | 174.1 | -174.2 | 0 | 113.3 | S122 | S122-K124 PolarHBondContact O-N 3.36Š|
| 125 | E | 57.5 | Low | 69.6 | Low | 112 Ų | 112 | 71.5 Ų | 71.5 | 52% | 0.523 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -31.4 | 177.4 | -68.3 | 160.9 | 155.6 | 0 | 0 | 110.1 | P121 S122 E127 D128 M129 | P121-E125 HydrophobicContact CB-CB 4.3Å; S122-E125 PolarHBondContact N-OE2 3.39Å; S122-E125 PolarHBondContact O-N 3.1Å; S122-E125 VanDerWaalsContact OG-CD 3.24Å; S122-E125 PolarHBondContact OG-OE2 3.06Å; E125-E127 VanDerWaalsContact C-N 3.27Å; E125-E127 PolarHBondContact O-N 3.49Å; E125-D128 PolarHBondContact O-N 3Å; E125-M129 HydrophobicContact CB-CE 3.86Å; E125-M129 VanDerWaalsContact O-CE 3.26Å; E125-M129 WeakPolarHBondContact O-CE 2.89Å; E125-M129 PolarHBondContact O-N 3.08Å |
| 126 | D | 61.2 | Low | 71.3 | Confident | 68 Ų | 68 | 70.1 Ų | 70.1 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -31.7 | 179.9 | -117.1 | 1.7 | 0 | 0 | 0 | 114 | S122 D128 M129 N230 | S122-D126 PolarHBondContact O-N 2.95Å; D126-D128 PolarHBondContact O-N 2.91Å; D126-M129 HydrophobicContact CB-CE 4.46Å; D126-M129 PolarHBondContact O-N 3.06Å; D126-N230 PolarHBondContact OD1-ND2 3.38Å |
| 127 | E | 63.4 | Low | 73 | Confident | 163 Ų | 163 | 69.9 Ų | 69.9 | 76% | 0.762 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.7 | -178.2 | -75 | -159.9 | 165.9 | 0 | 0 | 113.1 | E125 K177 | E125-E127 VanDerWaalsContact C-N 3.27Å; E125-E127 PolarHBondContact O-N 3.49Å; E127-K177 VanDerWaalsContact C-NZ 3.29Å; E127-K177 PolarHBondContact O-NZ 2.54Å |
| 128 | D | 73.3 | Confident | 74.4 | Confident | 128 Ų | 128 | 65.5 Ų | 65.5 | 68% | 0.684 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -17 | -178.7 | -66.9 | -21.9 | 0 | 0 | 0 | 112.8 | E125 D126 K177 | E125-D128 PolarHBondContact O-N 3Å; D126-D128 PolarHBondContact O-N 2.91Å; D128-K177 PolarHBondContact O-NZ 3.01Å |
| 129 | M | 83.9 | Confident | 75.9 | Confident | 15 Ų | 15 | 63 Ų | 63 | 7% | 0.074 | 31% | 0.308 | C | S | . | . | trans | -80.4 | 132.8 | -179.3 | -73.2 | 179.6 | -64.6 | 0 | 0 | 114.8 | P121 E125 D126 K177 N230 T232 | P121-M129 HydrophobicContact CB-CE 3.49Å; P121-M129 VanDerWaalsContact CB-CE 3.49Å; P121-M129 HydrophobicContact CB-SD 4.38Å; P121-M129 HydrophobicContact CG-CE 3.06Å; P121-M129 HydrophobicContact CG-SD 4.02Å; E125-M129 HydrophobicContact CB-CE 3.86Å; E125-M129 VanDerWaalsContact O-CE 3.26Å; E125-M129 WeakPolarHBondContact O-CE 2.89Å; E125-M129 PolarHBondContact O-N 3.08Å; D126-M129 HydrophobicContact CB-CE 4.46Å; D126-M129 PolarHBondContact O-N 3.06Å; M129-K177 VanDerWaalsContact N-NZ 3.11Å; M129-K177 WeakPolarHBondContact O-CE 3.23Å; M129-K177 PolarHBondContact O-NZ 3.08Å; M129-N230 HydrophobicContact CB-CB 4.07Å; M129-N230 HydrophobicContact CE-CB 4.42Å; M129-N230 HydrophobicContact CG-CB 4.45Å; M129-N230 HydrophobicContact SD-CB 3.81Å; M129-T232 HydrophobicContact CG-CG2 3.62Å | ||
| 130 | M | 90.8 | Very high | 77.5 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.02 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 163.7 | 170.7 | -68.1 | 167 | -78.8 | 0 | 0 | 110.6 | K177 D179 D180 N230 Y231 V233 | M130-K177 HydrophobicContact CG-CB 3.94Å; M130-K177 HydrophobicContact CG-CD 3.78Å; M130-K177 HydrophobicContact CG-CG 4.07Å; M130-K177 HydrophobicContact SD-CB 4.49Å; M130-D179 HydrophobicContact CE-CB 3.95Å; M130-D179 HydrophobicContact SD-CB 3.98Å; M130-D180 HydrophobicContact CE-CB 4.21Å; M130-D180 HydrophobicContact SD-CB 3.41Å; M130-D180 WeakPolarHBondContact SD-CB 3.33Å; M130-N230 CarbonylContact O-C 3.55Å; M130-N230 WeakPolarHBondContact O-CA 3.05Å; M130-Y231 HydrophobicContact CB-CD1 3.73Å; M130-Y231 HydrophobicContact CB-CD2 4.19Å; M130-Y231 HydrophobicContact CB-CE1 3.34Å; M130-Y231 HydrophobicContact CB-CE2 3.85Å; M130-Y231 HydrophobicContact CB-CG 4.14Å; M130-Y231 VanDerWaalsContact CB-CZ 3.44Å; M130-Y231 HydrophobicContact CE-CD2 4.05Å; M130-Y231 HydrophobicContact CE-CE2 3.69Å; M130-Y231 HydrophobicContact CG-CE2 4.49Å; M130-Y231 PolarHBondContact N-O 2.95Å; M130-Y231 WeakPolarHBondContact O-CD1 3.39Å; M130-Y231 PolarHBondContact O-N 3.4Å; M130-Y231 HydrophobicContact SD-CE2 3.85Å; M130-V233 HydrophobicContact CE-CB 4.45Å; M130-V233 HydrophobicContact CE-CG2 3.79Å |
| 131 | Q | 90.7 | Very high | 79.3 | Confident | 83 Ų | 83 | 56.1 Ų | 56.1 | 39% | 0.388 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 135.4 | -174 | -60.4 | -170.4 | -36.6 | 0 | 0 | 111.8 | I133 N196 E228 | Q131-I133 HydrophobicContact CB-CD1 4.25Å; Q131-I133 HydrophobicContact CB-CG1 4.32Å; Q131-N196 PolarHBondContact O-N 2.83Å; Q131-E228 VanDerWaalsContact CD-OE1 3.23Å; Q131-E228 PolarHBondContact NE2-OE1 2.58Å |
| 132 | C | 93.2 | Very high | 81.1 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 115.4 | 167.5 | 176.1 | 0 | 0 | 0 | 0 | 108.1 | V193 F194 W195 E228 I229 Y231 F245 | C132-V193 WeakPolarHBondContact SG-CG1 3.47Å; C132-F194 CarbonylContact C-O 3.55Å; C132-F194 VanDerWaalsContact CA-O 3.32Å; C132-F194 WeakPolarHBondContact CA-O 3.45Å; C132-W195 HydrophobicContact CB-CD2 4.08Å; C132-W195 HydrophobicContact CB-CE3 3.99Å; C132-W195 HydrophobicContact CB-CH2 4.18Å; C132-W195 HydrophobicContact CB-CZ2 4.26Å; C132-W195 HydrophobicContact CB-CZ3 4.04Å; C132-W195 WeakPolarHBondContact SG-CZ2 3.49Å; C132-E228 WeakPolarHBondContact O-CA 3.29Å; C132-I229 WeakPolarHBondContact CB-O 3.26Å; C132-I229 PolarHBondContact N-O 2.64Å; C132-I229 PolarHBondContact O-N 3.07Å; C132-Y231 HydrophobicContact CB-CD1 4.22Å; C132-F245 HydrophobicContact CB-CD2 4.42Å; C132-F245 HydrophobicContact CB-CE2 4.29Å |
| 133 | I | 93.2 | Very high | 83 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 8% | 0.077 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 124.7 | -174.7 | -56.9 | 162.8 | 0 | 0 | 0 | 109.7 | Q131 F135 V193 F194 M202 E227 E228 | Q131-I133 HydrophobicContact CB-CD1 4.25Å; Q131-I133 HydrophobicContact CB-CG1 4.32Å; I133-F135 HydrophobicContact CB-CE2 4.25Å; I133-F135 HydrophobicContact CG2-CD2 4.11Å; I133-F135 HydrophobicContact CG2-CE1 4.35Å; I133-F135 HydrophobicContact CG2-CE2 3.35Å; I133-F135 HydrophobicContact CG2-CZ 3.5Å; I133-F135 VanDerWaalsContact CG2-CZ 3.5Å; I133-V193 CarbonylContact O-C 3.56Å; I133-V193 WeakPolarHBondContact O-CA 3.11Å; I133-F194 PolarHBondContact N-O 3.05Å; I133-F194 PolarHBondContact O-N 3.21Å; I133-M202 HydrophobicContact CD1-CE 3.77Å; I133-E227 CarbonylContact C-O 3.59Å; I133-E227 WeakPolarHBondContact CA-O 3.33Å; I133-E228 HydrophobicContact CG1-CB 4.22Å; I133-E228 HydrophobicContact CG1-CG 3.87Å |
| 134 | A | 94.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 137.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V192 V193 N226 E227 L267 V272 | A134-V192 CarbonylContact C-O 3.58Å; A134-V192 WeakPolarHBondContact CA-O 3.49Å; A134-V193 HydrophobicContact CB-CG1 4.37Å; A134-V193 HydrophobicContact CB-CG2 3.94Å; A134-N226 WeakPolarHBondContact O-CA 3.43Å; A134-E227 HydrophobicContact CB-CB 4.46Å; A134-E227 PolarHBondContact N-O 3.05Å; A134-E227 PolarHBondContact O-N 3.15Å; A134-L267 HydrophobicContact CB-CB 4.01Å; A134-V272 HydrophobicContact CB-CG2 3.68Å |
| 135 | F | 93.3 | Very high | 87 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 148.3 | 175.7 | -59.9 | -89 | 0 | 0 | 0 | 110.5 | I133 T137 S191 V192 F194 M202 V222 H223 N226 | I133-F135 HydrophobicContact CB-CE2 4.25Å; I133-F135 HydrophobicContact CG2-CD2 4.11Å; I133-F135 HydrophobicContact CG2-CE1 4.35Å; I133-F135 HydrophobicContact CG2-CE2 3.35Å; I133-F135 HydrophobicContact CG2-CZ 3.5Å; I133-F135 VanDerWaalsContact CG2-CZ 3.5Å; F135-T137 HydrophobicContact CB-CG2 4.03Å; F135-S191 CarbonylContact O-C 3.58Å; F135-S191 WeakPolarHBondContact O-CA 3.38Å; F135-S191 WeakPolarHBondContact O-CB 3.3Å; F135-V192 HydrophobicContact CB-CG1 3.96Å; F135-V192 HydrophobicContact CD2-CG1 4.46Å; F135-V192 PolarHBondContact N-O 3.05Å; F135-V192 PolarHBondContact O-N 3.46Å; F135-F194 AromaticContact CD2-CD2 3.74Å; F135-F194 HydrophobicContact CD2-CD2 3.74Å; F135-F194 AromaticContact CD2-CE2 3.57Å; F135-F194 HydrophobicContact CD2-CE2 3.57Å; F135-F194 AromaticContact CE2-CD2 3.75Å; F135-F194 HydrophobicContact CE2-CD2 3.75Å; F135-F194 AromaticContact CE2-CE2 3.8Å; F135-F194 HydrophobicContact CE2-CE2 3.8Å; F135-M202 HydrophobicContact CE2-CG 4.48Å; F135-M202 HydrophobicContact CE2-SD 3.7Å; F135-M202 HydrophobicContact CZ-SD 3.95Å; F135-V222 HydrophobicContact CB-CG1 4.23Å; F135-V222 HydrophobicContact CD1-CG1 4.08Å; F135-H223 AromaticContact CE1-ND1 3.86Å; F135-N226 HydrophobicContact CD1-CB 3.59Å; F135-N226 HydrophobicContact CE1-CB 3.52Å; F135-N226 HydrophobicContact CG-CB 4.44Å; F135-N226 HydrophobicContact CZ-CB 4.34Å |
| 136 | A | 92.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 107.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | Y217 V222 V272 K273 I276 | A136-Y217 HydrophobicContact CB-CE2 4.31Å; A136-Y217 WeakPolarHBondContact O-CD2 2.95Å; A136-V222 WeakPolarHBondContact O-CG2 3.39Å; A136-V272 HydrophobicContact CB-CB 4.05Å; A136-V272 HydrophobicContact CB-CG1 3.46Å; A136-V272 VanDerWaalsContact CB-CG1 3.46Å; A136-V272 VanDerWaalsContact N-CG1 3.3Å; A136-K273 HydrophobicContact CB-CD 3.84Å; A136-K273 HydrophobicContact CB-CG 4.27Å; A136-I276 HydrophobicContact CB-CG1 4.07Å |
| 137 | T | 94.2 | Very high | 90.4 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | trans | -104.3 | -24.6 | -169.4 | 72.2 | 0 | 0 | 0 | 0 | 113.4 | F135 Y141 G190 V192 L206 L209 E213 Y217 V222 | F135-T137 HydrophobicContact CB-CG2 4.03Å; T137-Y141 WeakPolarHBondContact OG1-CE1 3.44Å; T137-Y141 VanDerWaalsContact OG1-CZ 3.25Å; T137-Y141 PolarHBondContact OG1-OH 3.11Å; T137-G190 PolarHBondContact N-O 2.91Å; T137-G190 VanDerWaalsContact N-O 3.09Å; T137-V192 HydrophobicContact CG2-CG1 4.29Å; T137-L206 HydrophobicContact CG2-CD2 4.06Å; T137-L209 HydrophobicContact CG2-CD2 4.19Å; T137-E213 WeakPolarHBondContact CB-OE1 3.26Å; T137-E213 PolarHBondContact OG1-OE1 3.43Å; T137-Y217 PolarHBondContact O-N 3.27Å; T137-V222 HydrophobicContact CG2-CG1 3.86Å | ||
| 138 | A | 93.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 166.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q140 Y141 G190 E213 Q215 K273 | A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.08Å; A138-Y141 HydrophobicContact CB-CD1 4.4Å; A138-Y141 HydrophobicContact CB-CE1 4.05Å; A138-G190 PolarHBondContact N-O 3.03Å; A138-G190 CarbonylContact O-C 3.56Å; A138-G190 VanDerWaalsContact O-CA 3.22Å; A138-G190 WeakPolarHBondContact O-CA 3.21Å; A138-E213 HydrophobicContact CB-CB 3.61Å; A138-E213 HydrophobicContact CB-CG 3.57Å; A138-Q215 CarbonylContact C-O 3.47Å; A138-Q215 VanDerWaalsContact CA-O 3.3Å; A138-Q215 WeakPolarHBondContact CA-O 3.33Å; A138-K273 PolarHBondContact O-NZ 3.47Å |
| 139 | D | 88.3 | Confident | 92.9 | Very high | 20 Ų | 20 | 32.4 Ų | 32.4 | 11% | 0.107 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | -33.7 | 177.4 | -84.6 | -16.2 | 0 | 0 | 0 | 114.1 | E189 I214 Q215 Y217 R325 | D139-E189 CarbonylContact C-O 3.28Å; D139-E189 CarbonylContact O-C 3.58Å; D139-I214 PolarHBondContact N-O 3.22Å; D139-I214 VanDerWaalsContact N-O 3.15Å; D139-Q215 HydrophobicContact CB-CB 4.11Å; D139-Q215 PolarHBondContact N-O 3.31Å; D139-Q215 PolarHBondContact OD2-OE1 2.99Å; D139-Y217 WeakPolarHBondContact OD1-CE1 3.47Å; D139-Y217 VanDerWaalsContact OD1-CZ 3.27Å; D139-Y217 PolarHBondContact OD1-OH 3.34Å; D139-R325 PolarHBondContact O-NH2 3.24Å |
| 140 | Q | 91 | Very high | 93.5 | Very high | 82 Ų | 82 | 31.8 Ų | 31.8 | 38% | 0.383 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 158.9 | 177.4 | -60.9 | -178.7 | 34.1 | 0 | 0 | 111.5 | A138 R188 I214 | A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.08Å; Q140-R188 CarbonylContact C-O 3.52Å; Q140-R188 WeakPolarHBondContact CA-O 3.46Å; Q140-R188 WeakPolarHBondContact CB-O 3.17Å; Q140-I214 HydrophobicContact CB-CB 4.19Å; Q140-I214 HydrophobicContact CB-CD1 4.31Å; Q140-I214 PolarHBondContact N-O 2.73Å; Q140-I214 WeakPolarHBondContact O-CB 2.9Å; Q140-I214 PolarHBondContact O-N 3.36Å |
| 141 | Y | 94.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 148.2 | 167.4 | -59.2 | -31.9 | 0 | 0 | 0 | 111.8 | T137 A138 L143 F186 F187 R188 G190 S191 V192 L209 E213 | T137-Y141 WeakPolarHBondContact OG1-CE1 3.44Å; T137-Y141 VanDerWaalsContact OG1-CZ 3.25Å; T137-Y141 PolarHBondContact OG1-OH 3.11Å; A138-Y141 HydrophobicContact CB-CD1 4.4Å; A138-Y141 HydrophobicContact CB-CE1 4.05Å; Y141-L143 HydrophobicContact CD2-CD2 4.42Å; Y141-L143 PolarHBondContact O-N 3.32Å; Y141-F186 HydrophobicContact CD2-CB 4.46Å; Y141-F187 WeakPolarHBondContact CD2-O 3.44Å; Y141-R188 PolarHBondContact N-O 3.14Å; Y141-G190 VanDerWaalsContact CE1-CA 3.49Å; Y141-G190 VanDerWaalsContact CE2-C 3.5Å; Y141-G190 VanDerWaalsContact CZ-CA 3.43Å; Y141-G190 PolarHBondContact OH-O 3.24Å; Y141-S191 WeakPolarHBondContact CE2-O 3.37Å; Y141-S191 PolarHBondContact OH-N 2.94Å; Y141-V192 HydrophobicContact CE2-CB 4.47Å; Y141-L209 HydrophobicContact CD1-CD1 4.03Å; Y141-L209 HydrophobicContact CD1-CG 4.44Å; Y141-L209 HydrophobicContact CD2-CD1 4.1Å; Y141-L209 HydrophobicContact CE1-CD1 3.98Å; Y141-L209 HydrophobicContact CE1-CD2 4.01Å; Y141-L209 HydrophobicContact CE1-CG 3.98Å; Y141-L209 HydrophobicContact CE2-CD1 4.03Å; Y141-L209 HydrophobicContact CE2-CD2 4.13Å; Y141-L209 HydrophobicContact CG-CD1 4.12Å; Y141-L209 WeakPolarHBondContact OH-CD2 3.4Å; Y141-E213 HydrophobicContact CD1-CG 3.98Å; Y141-E213 HydrophobicContact CE1-CG 3.77Å |
| 142 | H | 95.3 | Very high | 93.8 | Very high | 89 Ų | 89 | 36.4 Ų | 36.4 | 41% | 0.412 | 19% | 0.192 | S | C | . | . | trans | -89.2 | 82.8 | 166.2 | -165 | -83.6 | 0 | 0 | 0 | 110.4 | T145 L146 H212 I214 | H142-T145 VanDerWaalsContact ND1-CG2 3.28Å; H142-T145 WeakPolarHBondContact ND1-CG2 3.48Å; H142-T145 PolarHBondContact ND1-OG1 2.97Å; H142-T145 PolarHBondContact O-N 3.17Å; H142-T145 PolarHBondContact O-OG1 3.06Å; H142-L146 PolarHBondContact O-N 3.34Å; H142-H212 PolarHBondContact N-O 3.07Å; H142-H212 VanDerWaalsContact N-O 3.08Å; H142-I214 HydrophobicContact CB-CD1 4.5Å | ||
| 143 | L | 93.9 | Very high | 93.8 | Very high | 20 Ų | 20 | 40.8 Ų | 40.8 | 11% | 0.105 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.6 | -42.1 | -173.3 | -60.6 | -176.1 | 0 | 0 | 0 | 115.2 | Y141 T145 L146 S147 L168 F186 R188 | Y141-L143 HydrophobicContact CD2-CD2 4.42Å; Y141-L143 PolarHBondContact O-N 3.32Å; L143-T145 VanDerWaalsContact C-N 3.34Å; L143-T145 PolarHBondContact O-N 3.19Å; L143-L146 HydrophobicContact CD2-CD2 4.39Å; L143-L146 WeakPolarHBondContact O-CB 3.41Å; L143-L146 PolarHBondContact O-N 3.34Å; L143-L146 VanDerWaalsContact O-N 3.17Å; L143-S147 PolarHBondContact O-N 2.89Å; L143-L168 HydrophobicContact CD1-CB 4.39Å; L143-L168 HydrophobicContact CD2-CB 4.22Å; L143-F186 HydrophobicContact CD2-CB 4Å; L143-R188 HydrophobicContact CD1-CB 3.83Å; L143-R188 HydrophobicContact CG-CB 4.23Å |
| 144 | P | 93.4 | Very high | 93.7 | Very high | 95 Ų | 95 | 43.5 Ų | 43.5 | 62% | 0.617 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -63.8 | -36.9 | -176.9 | -25.1 | 35.4 | 0 | 0 | 0 | 113.9 | H148 | P144-H148 PolarHBondContact O-N 2.81Å |
| 145 | T | 95.1 | Very high | 93.7 | Very high | 59 Ų | 59 | 44 Ų | 44 | 36% | 0.362 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -74.6 | -35 | 176.4 | 49.4 | 0 | 0 | 0 | 0 | 111.3 | H142 L143 D149 H212 | H142-T145 VanDerWaalsContact ND1-CG2 3.28Å; H142-T145 WeakPolarHBondContact ND1-CG2 3.48Å; H142-T145 PolarHBondContact ND1-OG1 2.97Å; H142-T145 PolarHBondContact O-N 3.17Å; H142-T145 PolarHBondContact O-OG1 3.06Å; L143-T145 VanDerWaalsContact C-N 3.34Å; L143-T145 PolarHBondContact O-N 3.19Å; T145-D149 PolarHBondContact O-N 3.32Å; T145-D149 VanDerWaalsContact O-N 3.08Å; T145-H212 PolarHBondContact OG1-ND1 2.87Å |
| 146 | L | 95.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.3 | -45.9 | 177.9 | 177.9 | 65.3 | 0 | 0 | 0 | 111.2 | H142 L143 H148 D149 L150 L168 F186 L209 H212 | H142-L146 PolarHBondContact O-N 3.34Å; L143-L146 HydrophobicContact CD2-CD2 4.39Å; L143-L146 WeakPolarHBondContact O-CB 3.41Å; L143-L146 PolarHBondContact O-N 3.34Å; L143-L146 VanDerWaalsContact O-N 3.17Å; L146-H148 PolarHBondContact O-N 3.26Å; L146-D149 PolarHBondContact O-N 3.01Å; L146-L150 HydrophobicContact CD1-CD1 3.88Å; L146-L150 HydrophobicContact CD1-CG 4.02Å; L146-L150 HydrophobicContact CD2-CD1 4.45Å; L146-L150 HydrophobicContact CG-CD1 3.76Å; L146-L150 HydrophobicContact CG-CG 4.3Å; L146-L150 WeakPolarHBondContact O-CB 3.26Å; L146-L150 VanDerWaalsContact O-CG 3.25Å; L146-L150 WeakPolarHBondContact O-CG 3.41Å; L146-L150 PolarHBondContact O-N 3.01Å; L146-L168 HydrophobicContact CD2-CD2 4.31Å; L146-L168 HydrophobicContact CG-CD2 4.29Å; L146-F186 HydrophobicContact CD2-CB 4.12Å; L146-F186 HydrophobicContact CD2-CD1 3.65Å; L146-F186 HydrophobicContact CD2-CD2 4.47Å; L146-F186 HydrophobicContact CD2-CE1 4.09Å; L146-F186 HydrophobicContact CD2-CG 3.83Å; L146-L209 HydrophobicContact CD1-CD1 3.9Å; L146-L209 HydrophobicContact CD2-CD1 3.53Å; L146-L209 HydrophobicContact CG-CD1 4.37Å; L146-H212 HydrophobicContact CB-CB 4.16Å; L146-H212 HydrophobicContact CD1-CB 4.35Å |
| 147 | S | 94.8 | Very high | 93.7 | Very high | 18 Ų | 18 | 54 Ų | 54 | 13% | 0.126 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55 | -50.9 | 175.1 | 153.8 | 0 | 0 | 0 | 0 | 110.8 | L143 D149 L150 I151 E157 | L143-S147 PolarHBondContact O-N 2.89Å; S147-D149 VanDerWaalsContact C-N 3.34Å; S147-D149 PolarHBondContact O-N 3.46Å; S147-L150 PolarHBondContact O-N 2.85Å; S147-I151 VanDerWaalsContact O-CG1 3.26Å; S147-I151 WeakPolarHBondContact O-CG1 3.28Å; S147-I151 PolarHBondContact O-N 3.14Å; S147-E157 PolarHBondContact OG-OE2 3.4Å |
| 148 | H | 94.9 | Very high | 93.7 | Very high | 121 Ų | 121 | 56.1 Ų | 56.1 | 56% | 0.56 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -58.9 | -42.7 | 178.7 | -179.1 | -88.7 | 0 | 0 | 0 | 112.8 | P144 L146 N152 | P144-H148 PolarHBondContact O-N 2.81Å; L146-H148 PolarHBondContact O-N 3.26Å; H148-N152 PolarHBondContact CE1-ND2 3.49Å; H148-N152 PolarHBondContact ND1-ND2 3.05Å; H148-N152 VanDerWaalsContact ND1-ND2 3.19Å; H148-N152 PolarHBondContact O-N 2.85Å; H148-N152 VanDerWaalsContact O-N 3.13Å; H148-N152 PolarHBondContact O-ND2 2.78Å |
| 149 | D | 95.2 | Very high | 93.5 | Very high | 42 Ų | 42 | 63.2 Ų | 63.2 | 23% | 0.225 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.8 | -39.9 | 179.5 | -161.8 | 48.8 | 0 | 0 | 0 | 112.5 | T145 L146 S147 N152 H153 H212 | T145-D149 PolarHBondContact O-N 3.32Å; T145-D149 VanDerWaalsContact O-N 3.08Å; L146-D149 PolarHBondContact O-N 3.01Å; S147-D149 VanDerWaalsContact C-N 3.34Å; S147-D149 PolarHBondContact O-N 3.46Å; D149-N152 PolarHBondContact O-N 2.83Å; D149-H153 PolarHBondContact O-CD2 2.82Å; D149-H153 PolarHBondContact O-N 2.71Å; D149-H153 VanDerWaalsContact O-N 3.14Å; D149-H212 IonicContact OD2-NE2 3.03Å |
| 150 | L | 94.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 175.3 | -69.8 | 172.5 | 0 | 0 | 0 | 111.5 | L146 S147 N152 H153 G154 F155 L168 I170 F186 L208 | L146-L150 HydrophobicContact CD1-CD1 3.88Å; L146-L150 HydrophobicContact CD1-CG 4.02Å; L146-L150 HydrophobicContact CD2-CD1 4.45Å; L146-L150 HydrophobicContact CG-CD1 3.76Å; L146-L150 HydrophobicContact CG-CG 4.3Å; L146-L150 WeakPolarHBondContact O-CB 3.26Å; L146-L150 VanDerWaalsContact O-CG 3.25Å; L146-L150 WeakPolarHBondContact O-CG 3.41Å; L146-L150 PolarHBondContact O-N 3.01Å; S147-L150 PolarHBondContact O-N 2.85Å; L150-N152 VanDerWaalsContact C-N 3.28Å; L150-N152 PolarHBondContact O-N 2.9Å; L150-H153 CarbonylContact O-C 3.52Å; L150-H153 WeakPolarHBondContact O-CA 3.5Å; L150-H153 PolarHBondContact O-N 3.35Å; L150-G154 PolarHBondContact O-N 3.45Å; L150-F155 HydrophobicContact CB-CB 4.14Å; L150-F155 HydrophobicContact CB-CD2 4.06Å; L150-F155 HydrophobicContact CB-CG 4.4Å; L150-F155 HydrophobicContact CD2-CD2 3.73Å; L150-F155 HydrophobicContact CD2-CE2 3.87Å; L150-F155 HydrophobicContact CD2-CG 4.41Å; L150-F155 WeakPolarHBondContact O-CB 3.25Å; L150-F155 VanDerWaalsContact O-CD2 3.28Å; L150-F155 WeakPolarHBondContact O-CD2 3.42Å; L150-F155 PolarHBondContact O-N 2.85Å; L150-F155 VanDerWaalsContact O-N 3.14Å; L150-L168 HydrophobicContact CD1-CD2 4.33Å; L150-I170 HydrophobicContact CB-CD1 4.33Å; L150-I170 HydrophobicContact CD1-CD1 4.25Å; L150-I170 HydrophobicContact CD1-CG1 3.91Å; L150-F186 HydrophobicContact CD1-CD2 4.25Å; L150-F186 HydrophobicContact CD1-CE1 4.49Å; L150-F186 HydrophobicContact CD1-CE2 3.52Å; L150-F186 HydrophobicContact CD1-CZ 3.65Å; L150-L208 HydrophobicContact CD2-CD1 4.07Å |
| 151 | I | 94.7 | Very high | 93.4 | Very high | 81 Ų | 81 | 62 Ų | 62 | 42% | 0.415 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 176.6 | -67.5 | 164.7 | 0 | 0 | 0 | 110.8 | S147 H153 G154 E157 | S147-I151 VanDerWaalsContact O-CG1 3.26Å; S147-I151 WeakPolarHBondContact O-CG1 3.28Å; S147-I151 PolarHBondContact O-N 3.14Å; I151-H153 PolarHBondContact O-N 3.29Å; I151-G154 PolarHBondContact O-N 2.89Å; I151-E157 HydrophobicContact CD1-CB 4.48Å |
| 152 | N | 94.6 | Very high | 92.8 | Very high | 103 Ų | 103 | 73.5 Ų | 73.5 | 55% | 0.551 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63 | -26.6 | 175.4 | -67.9 | -28.2 | 0 | 0 | 0 | 113.1 | H148 D149 L150 G154 | H148-N152 PolarHBondContact CE1-ND2 3.49Å; H148-N152 PolarHBondContact ND1-ND2 3.05Å; H148-N152 VanDerWaalsContact ND1-ND2 3.19Å; H148-N152 PolarHBondContact O-N 2.85Å; H148-N152 VanDerWaalsContact O-N 3.13Å; H148-N152 PolarHBondContact O-ND2 2.78Å; D149-N152 PolarHBondContact O-N 2.83Å; L150-N152 VanDerWaalsContact C-N 3.28Å; L150-N152 PolarHBondContact O-N 2.9Å; N152-G154 VanDerWaalsContact C-N 3.3Å |
| 153 | H | 92.6 | Very high | 92.2 | Very high | 92 Ų | 92 | 73.3 Ų | 73.3 | 43% | 0.426 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 8.4 | 176.3 | -86.3 | -67.2 | 0 | 0 | 0 | 114.3 | D149 L150 I151 F155 L208 | D149-H153 PolarHBondContact O-CD2 2.82Å; D149-H153 PolarHBondContact O-N 2.71Å; D149-H153 VanDerWaalsContact O-N 3.14Å; L150-H153 CarbonylContact O-C 3.52Å; L150-H153 WeakPolarHBondContact O-CA 3.5Å; L150-H153 PolarHBondContact O-N 3.35Å; I151-H153 PolarHBondContact O-N 3.29Å; H153-F155 HydrophobicContact CB-CD2 3.96Å; H153-F155 HydrophobicContact CB-CE2 4.03Å; H153-L208 HydrophobicContact CB-CD1 4.3Å |
| 154 | G | 90.6 | Very high | 91.7 | Very high | 72 Ų | 72 | 72.7 Ų | 72.7 | 74% | 0.742 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | 13.4 | 174 | 0 | 0 | 0 | 0 | 0 | 114.5 | L150 I151 N152 | L150-G154 PolarHBondContact O-N 3.45Å; I151-G154 PolarHBondContact O-N 2.89Å; N152-G154 VanDerWaalsContact C-N 3.3Å |
| 155 | F | 93.9 | Very high | 90.9 | Very high | 10 Ų | 10 | 72.6 Ų | 72.6 | 4% | 0.044 | 39% | 0.385 | C | S | . | . | trans | -82.6 | 151.1 | 173.4 | -67.7 | -78.9 | 0 | 0 | 0 | 111.3 | L150 H153 I170 E201 V205 L208 | L150-F155 HydrophobicContact CB-CB 4.14Å; L150-F155 HydrophobicContact CB-CD2 4.06Å; L150-F155 HydrophobicContact CB-CG 4.4Å; L150-F155 HydrophobicContact CD2-CD2 3.73Å; L150-F155 HydrophobicContact CD2-CE2 3.87Å; L150-F155 HydrophobicContact CD2-CG 4.41Å; L150-F155 WeakPolarHBondContact O-CB 3.25Å; L150-F155 VanDerWaalsContact O-CD2 3.28Å; L150-F155 WeakPolarHBondContact O-CD2 3.42Å; L150-F155 PolarHBondContact O-N 2.85Å; L150-F155 VanDerWaalsContact O-N 3.14Å; H153-F155 HydrophobicContact CB-CD2 3.96Å; H153-F155 HydrophobicContact CB-CE2 4.03Å; F155-I170 HydrophobicContact CB-CG2 3.52Å; F155-I170 HydrophobicContact CD1-CG2 3.78Å; F155-I170 HydrophobicContact CG-CG2 3.92Å; F155-E201 HydrophobicContact CE1-CG 4.14Å; F155-E201 WeakPolarHBondContact CE1-OE1 3.32Å; F155-E201 HydrophobicContact CZ-CG 4.26Å; F155-E201 WeakPolarHBondContact CZ-OE1 3.4Å; F155-V205 HydrophobicContact CE1-CG2 3.94Å; F155-V205 HydrophobicContact CE2-CG2 4.24Å; F155-V205 HydrophobicContact CZ-CG2 3.49Å; F155-V205 VanDerWaalsContact CZ-CG2 3.49Å; F155-L208 HydrophobicContact CE2-CD1 4.21Å | ||
| 156 | Q | 93.9 | Very high | 90.5 | Very high | 139 Ų | 139 | 73 Ų | 73 | 65% | 0.65 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 127.6 | -178.5 | -165.3 | 178 | 19.1 | 0 | 0 | 110.7 | I170 S171 | Q156-I170 CarbonylContact O-C 3.55Å; Q156-I170 WeakPolarHBondContact O-CA 3.28Å; Q156-S171 PolarHBondContact N-O 2.82Å; Q156-S171 PolarHBondContact O-N 2.7Å; Q156-S171 PolarHBondContact O-OG 3.39Å |
| 157 | E | 94 | Very high | 90.4 | Very high | 79 Ų | 79 | 73.9 Ų | 73.9 | 37% | 0.369 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 137.4 | 177.2 | -174.5 | 168.5 | 174.7 | 0 | 0 | 111 | S147 I151 L168 V169 I170 | S147-E157 PolarHBondContact OG-OE2 3.4Å; I151-E157 HydrophobicContact CD1-CB 4.48Å; E157-L168 VanDerWaalsContact CD-CD1 3.44Å; E157-L168 HydrophobicContact CG-CD1 3.79Å; E157-L168 VanDerWaalsContact OE1-CD1 3.29Å; E157-L168 WeakPolarHBondContact OE1-CD1 3.44Å; E157-V169 WeakPolarHBondContact CA-O 3.38Å; E157-I170 HydrophobicContact CB-CD1 4.06Å; E157-I170 HydrophobicContact CG-CD1 4.48Å |
| 158 | I | 92.8 | Very high | 90.4 | Very high | 50 Ų | 50 | 73.4 Ų | 73.4 | 26% | 0.256 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 123.1 | 174.6 | -63.2 | 171.3 | 0 | 0 | 0 | 108.1 | L160 V169 L183 | I158-L160 PolarHBondContact O-N 2.69Å; I158-V169 HydrophobicContact CB-CB 4.21Å; I158-V169 HydrophobicContact CB-CG1 4.09Å; I158-V169 HydrophobicContact CD1-CG1 4.29Å; I158-V169 PolarHBondContact N-O 3.35Å; I158-L183 HydrophobicContact CD1-CD2 3.45Å; I158-L183 VanDerWaalsContact CD1-CD2 3.45Å |
| 159 | D | 89.8 | Confident | 90.4 | Very high | 149 Ų | 149 | 67.7 Ų | 67.7 | 80% | 0.797 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 124.9 | 178.1 | -72.4 | -37.4 | 0 | 0 | 0 | 111.2 | ||
| 160 | L | 88.6 | Confident | 90.4 | Very high | 37 Ų | 37 | 65.7 Ų | 65.7 | 19% | 0.194 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -95.7 | 160.6 | 168.8 | -73.9 | -176.8 | 0 | 0 | 0 | 111.7 | I158 A164 V167 V169 V257 L258 F261 | I158-L160 PolarHBondContact O-N 2.69Å; L160-A164 HydrophobicContact CB-CB 4.09Å; L160-A164 HydrophobicContact CD1-CB 4.02Å; L160-V167 HydrophobicContact CD1-CB 4.31Å; L160-V167 HydrophobicContact CD1-CG1 4.26Å; L160-V169 HydrophobicContact CD1-CG2 3.36Å; L160-V169 HydrophobicContact CD2-CG2 4.11Å; L160-V169 HydrophobicContact CG-CG2 3.61Å; L160-V257 HydrophobicContact CD2-CG1 3.98Å; L160-L258 HydrophobicContact CD2-CD2 4.09Å; L160-F261 HydrophobicContact CD1-CD2 3.97Å; L160-F261 HydrophobicContact CD1-CE2 4.13Å |
| 161 | P | 87.8 | Confident | 90.4 | Very high | 40 Ų | 40 | 66.7 Ų | 66.7 | 26% | 0.26 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 146.2 | 168.7 | -28.4 | 37.9 | 0 | 0 | 0 | 112.8 | D163 A164 L258 F334 | P161-D163 VanDerWaalsContact C-OD1 3.23Å; P161-D163 WeakPolarHBondContact CB-OD1 3.49Å; P161-D163 PolarHBondContact O-N 2.95Å; P161-D163 VanDerWaalsContact O-N 3.1Å; P161-A164 WeakPolarHBondContact O-CB 3.4Å; P161-A164 PolarHBondContact O-N 2.94Å; P161-L258 HydrophobicContact CG-CD2 4.24Å; P161-F334 HydrophobicContact CB-CE2 4.43Å |
| 162 | R | 82.3 | Confident | 90.2 | Very high | 245 Ų | 245 | 63.8 Ų | 63.8 | 93% | 0.925 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -60.2 | -27 | -171.1 | -65.2 | -175.4 | -174.7 | -130.6 | -0.4 | 114.1 | A164 | R162-A164 PolarHBondContact O-N 3.07Š|
| 163 | D | 83.4 | Confident | 89.9 | Confident | 85 Ų | 85 | 68.2 Ų | 68.2 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -65.4 | -20.9 | 173.8 | 44 | -32.1 | 0 | 0 | 0 | 113 | P161 S165 F334 R338 | P161-D163 VanDerWaalsContact C-OD1 3.23Å; P161-D163 WeakPolarHBondContact CB-OD1 3.49Å; P161-D163 PolarHBondContact O-N 2.95Å; P161-D163 VanDerWaalsContact O-N 3.1Å; D163-S165 PolarHBondContact O-N 3.21Å; D163-F334 HydrophobicContact CB-CD2 4.03Å; D163-F334 WeakPolarHBondContact OD2-CD2 3.35Å; D163-F334 WeakPolarHBondContact OD2-CE2 3.32Å; D163-R338 IonicContact OD2-NH2 3.95Å |
| 164 | A | 82.8 | Confident | 89.7 | Confident | 8 Ų | 8 | 67.2 Ų | 67.2 | 7% | 0.066 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -96.3 | 36.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L160 P161 R162 N166 V167 F261 F334 | L160-A164 HydrophobicContact CB-CB 4.09Å; L160-A164 HydrophobicContact CD1-CB 4.02Å; P161-A164 WeakPolarHBondContact O-CB 3.4Å; P161-A164 PolarHBondContact O-N 2.94Å; R162-A164 PolarHBondContact O-N 3.07Å; A164-N166 PolarHBondContact O-N 3.42Å; A164-V167 PolarHBondContact O-N 2.79Å; A164-F261 HydrophobicContact CB-CE2 4.4Å; A164-F261 HydrophobicContact CB-CZ 4.2Å; A164-F334 HydrophobicContact CB-CD2 4.15Å; A164-F334 HydrophobicContact CB-CE2 4.01Å |
| 165 | S | 78 | Confident | 89.7 | Confident | 93 Ų | 93 | 65.6 Ų | 65.6 | 65% | 0.65 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -10.6 | -172.8 | 64 | 0 | 0 | 0 | 0 | 117 | D163 V167 | D163-S165 PolarHBondContact O-N 3.21Å; S165-V167 VanDerWaalsContact C-N 3.32Å |
| 166 | N | 86.3 | Confident | 89.4 | Confident | 68 Ų | 68 | 68 Ų | 68 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 6.3 | 179.9 | -66.4 | -32.5 | 0 | 0 | 0 | 113.2 | A164 R188 | A164-N166 PolarHBondContact O-N 3.42Å; N166-R188 HydrophobicContact CB-CB 4.26Å; N166-R188 WeakPolarHBondContact O-CB 3.2Å; N166-R188 PolarHBondContact O-N 3.35Å |
| 167 | V | 92 | Very high | 89.2 | Confident | 18 Ų | 18 | 63.7 Ų | 63.7 | 11% | 0.109 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 136.7 | -175.7 | -177.9 | 0 | 0 | 0 | 0 | 111 | L160 A164 S165 V169 F185 F186 F187 F261 | L160-V167 HydrophobicContact CD1-CB 4.31Å; L160-V167 HydrophobicContact CD1-CG1 4.26Å; A164-V167 PolarHBondContact O-N 2.79Å; S165-V167 VanDerWaalsContact C-N 3.32Å; V167-V169 HydrophobicContact CG1-CG2 4.19Å; V167-F185 HydrophobicContact CG1-CB 4.39Å; V167-F185 HydrophobicContact CG1-CD1 4.14Å; V167-F186 WeakPolarHBondContact CA-O 3.45Å; V167-F187 HydrophobicContact CG1-CE1 4.38Å; V167-F187 HydrophobicContact CG1-CZ 4.37Å; V167-F187 HydrophobicContact CG2-CD1 3.32Å; V167-F187 HydrophobicContact CG2-CE1 3.42Å; V167-F187 VanDerWaalsContact CG2-CE1 3.42Å; V167-F187 HydrophobicContact CG2-CG 4.04Å; V167-F187 HydrophobicContact CG2-CZ 4.21Å; V167-F261 HydrophobicContact CB-CE2 3.85Å; V167-F261 HydrophobicContact CG1-CD2 4.2Å; V167-F261 HydrophobicContact CG1-CE2 3.99Å; V167-F261 HydrophobicContact CG2-CE2 3.6Å; V167-F261 HydrophobicContact CG2-CZ 4.34Å |
| 168 | L | 94.6 | Very high | 88.8 | Confident | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 128.2 | 171.2 | 167.7 | 67 | 0 | 0 | 0 | 108.3 | L143 L146 L150 E157 I170 F186 | L143-L168 HydrophobicContact CD1-CB 4.39Å; L143-L168 HydrophobicContact CD2-CB 4.22Å; L146-L168 HydrophobicContact CD2-CD2 4.31Å; L146-L168 HydrophobicContact CG-CD2 4.29Å; L150-L168 HydrophobicContact CD1-CD2 4.33Å; E157-L168 VanDerWaalsContact CD-CD1 3.44Å; E157-L168 HydrophobicContact CG-CD1 3.79Å; E157-L168 VanDerWaalsContact OE1-CD1 3.29Å; E157-L168 WeakPolarHBondContact OE1-CD1 3.44Å; L168-I170 HydrophobicContact CD1-CD1 4.16Å; L168-I170 HydrophobicContact CD1-CG1 4.33Å; L168-I170 HydrophobicContact CD2-CG1 4.35Å; L168-I170 HydrophobicContact CG-CD1 4.36Å; L168-I170 HydrophobicContact CG-CG1 4.05Å; L168-F186 HydrophobicContact CB-CB 4.22Å; L168-F186 HydrophobicContact CD2-CD2 4.21Å; L168-F186 HydrophobicContact CG-CD2 4.29Å; L168-F186 PolarHBondContact N-O 2.84Å; L168-F186 PolarHBondContact O-N 3.08Å |
| 169 | V | 95.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.006 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 130 | 179.2 | -171.9 | 0 | 0 | 0 | 0 | 109.7 | E157 I158 L160 V167 L183 I184 F185 V257 | E157-V169 WeakPolarHBondContact CA-O 3.38Å; I158-V169 HydrophobicContact CB-CB 4.21Å; I158-V169 HydrophobicContact CB-CG1 4.09Å; I158-V169 HydrophobicContact CD1-CG1 4.29Å; I158-V169 PolarHBondContact N-O 3.35Å; L160-V169 HydrophobicContact CD1-CG2 3.36Å; L160-V169 HydrophobicContact CD2-CG2 4.11Å; L160-V169 HydrophobicContact CG-CG2 3.61Å; V167-V169 HydrophobicContact CG1-CG2 4.19Å; V169-L183 HydrophobicContact CG1-CD2 4.49Å; V169-I184 WeakPolarHBondContact CA-O 3.23Å; V169-F185 HydrophobicContact CB-CD1 4.44Å; V169-F185 HydrophobicContact CB-CE1 4.42Å; V169-F185 HydrophobicContact CG1-CD1 4.21Å; V169-F185 HydrophobicContact CG1-CE1 3.89Å; V169-F185 HydrophobicContact CG1-CZ 4.26Å; V169-F185 HydrophobicContact CG2-CD1 3.54Å; V169-F185 HydrophobicContact CG2-CE1 3.6Å; V169-V257 HydrophobicContact CG1-CG1 4.45Å |
| 170 | I | 95.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 130.1 | -176.2 | -65.9 | -73.3 | 0 | 0 | 0 | 108.7 | L150 F155 Q156 E157 L168 I184 F186 | L150-I170 HydrophobicContact CB-CD1 4.33Å; L150-I170 HydrophobicContact CD1-CD1 4.25Å; L150-I170 HydrophobicContact CD1-CG1 3.91Å; F155-I170 HydrophobicContact CB-CG2 3.52Å; F155-I170 HydrophobicContact CD1-CG2 3.78Å; F155-I170 HydrophobicContact CG-CG2 3.92Å; Q156-I170 CarbonylContact O-C 3.55Å; Q156-I170 WeakPolarHBondContact O-CA 3.28Å; E157-I170 HydrophobicContact CB-CD1 4.06Å; E157-I170 HydrophobicContact CG-CD1 4.48Å; L168-I170 HydrophobicContact CD1-CD1 4.16Å; L168-I170 HydrophobicContact CD1-CG1 4.33Å; L168-I170 HydrophobicContact CD2-CG1 4.35Å; L168-I170 HydrophobicContact CG-CD1 4.36Å; L168-I170 HydrophobicContact CG-CG1 4.05Å; I170-I184 HydrophobicContact CB-CB 4.41Å; I170-I184 PolarHBondContact N-O 3.27Å; I170-I184 PolarHBondContact O-N 2.8Å; I170-F186 HydrophobicContact CB-CE2 4.11Å; I170-F186 HydrophobicContact CG1-CD2 4.21Å; I170-F186 HydrophobicContact CG1-CE2 3.87Å |
| 171 | S | 93.9 | Very high | 88.3 | Confident | 22 Ų | 22 | 67.4 Ų | 67.4 | 15% | 0.154 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 153.5 | 167.6 | 58.1 | 0 | 0 | 0 | 0 | 111.7 | Q156 A182 | Q156-S171 PolarHBondContact N-O 2.82Å; Q156-S171 PolarHBondContact O-N 2.7Å; Q156-S171 PolarHBondContact O-OG 3.39Å; S171-A182 WeakPolarHBondContact CA-O 3.34Å |
| 172 | T | 91.3 | Very high | 88.6 | Confident | 21 Ų | 21 | 65.6 Ų | 65.6 | 13% | 0.129 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 148.3 | 172.9 | -174.5 | 0 | 0 | 0 | 0 | 110.1 | N174 A182 V197 | T172-N174 PolarHBondContact O-N 3.14Å; T172-N174 PolarHBondContact OG1-N 3.05Å; T172-A182 HydrophobicContact CG2-CB 3.4Å; T172-A182 VanDerWaalsContact CG2-CB 3.4Å; T172-A182 PolarHBondContact N-O 2.88Å; T172-A182 WeakPolarHBondContact O-CB 3.32Å; T172-V197 HydrophobicContact CG2-CG1 4.41Å; T172-V197 HydrophobicContact CG2-CG2 4.47Å |
| 173 | E | 87.6 | Confident | 89.3 | Confident | 195 Ų | 195 | 54.2 Ų | 54.2 | 91% | 0.911 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -75.7 | -14.8 | 174.8 | -59.3 | -179.7 | 176 | 0 | 0 | 111.9 | A175 | E173-A175 VanDerWaalsContact C-N 3.29Å; E173-A175 PolarHBondContact O-N 3.47Å |
| 174 | N | 89.3 | Confident | 89.9 | Confident | 72 Ų | 72 | 50.2 Ų | 50.2 | 39% | 0.385 | 29% | 0.29 | S | S | . | . | trans | -86.1 | 63.5 | -174.7 | -70.1 | -16.9 | 0 | 0 | 0 | 112.4 | T172 Q198 E201 | T172-N174 PolarHBondContact O-N 3.14Å; T172-N174 PolarHBondContact OG1-N 3.05Å; N174-Q198 PolarHBondContact O-N 2.93Å; N174-E201 HydrophobicContact CB-CB 4.18Å; N174-E201 HydrophobicContact CB-CG 4.13Å; N174-E201 PolarHBondContact ND2-OE2 2.87Å | ||
| 175 | A | 90.3 | Very high | 90.6 | Very high | 37 Ų | 37 | 49.8 Ų | 49.8 | 31% | 0.306 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -72.4 | 145.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E173 K177 A182 N196 | E173-A175 VanDerWaalsContact C-N 3.29Å; E173-A175 PolarHBondContact O-N 3.47Å; A175-K177 WeakPolarHBondContact CB-O 3.37Å; A175-A182 HydrophobicContact CB-CB 3.88Å; A175-N196 CarbonylContact C-O 3.52Å; A175-N196 VanDerWaalsContact CA-O 3.29Å; A175-N196 WeakPolarHBondContact CA-O 3.38Å |
| 176 | A | 88.6 | Confident | 91.4 | Very high | 60 Ų | 60 | 45.4 Ų | 45.4 | 50% | 0.496 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -76.6 | -38.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N196 | A176-N196 WeakPolarHBondContact CB-OD1 3.25Å; A176-N196 PolarHBondContact N-O 3.19Å; A176-N196 PolarHBondContact N-OD1 3.47Å |
| 177 | K | 88.3 | Confident | 91.7 | Very high | 49 Ų | 49 | 42.1 Ų | 42.1 | 21% | 0.213 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -126.4 | 158 | 173.6 | -55.2 | -160.1 | -174.3 | -171.5 | 0 | 110.9 | E127 D128 M129 M130 A175 D179 N196 | E127-K177 VanDerWaalsContact C-NZ 3.29Å; E127-K177 PolarHBondContact O-NZ 2.54Å; D128-K177 PolarHBondContact O-NZ 3.01Å; M129-K177 VanDerWaalsContact N-NZ 3.11Å; M129-K177 WeakPolarHBondContact O-CE 3.23Å; M129-K177 PolarHBondContact O-NZ 3.08Å; M130-K177 HydrophobicContact CG-CB 3.94Å; M130-K177 HydrophobicContact CG-CD 3.78Å; M130-K177 HydrophobicContact CG-CG 4.07Å; M130-K177 HydrophobicContact SD-CB 4.49Å; A175-K177 WeakPolarHBondContact CB-O 3.37Å; K177-D179 VanDerWaalsContact C-N 3.33Å; K177-N196 PolarHBondContact N-OD1 2.88Å; K177-N196 PolarHBondContact O-ND2 2.87Å |
| 178 | V | 85.6 | Confident | 91.7 | Very high | 150 Ų | 150 | 47.4 Ų | 47.4 | 91% | 0.909 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -14.1 | -174 | -171.2 | 0 | 0 | 0 | 0 | 112.1 | D180 | V178-D180 VanDerWaalsContact C-N 3.3Å; V178-D180 PolarHBondContact O-N 2.87Å |
| 179 | D | 84.6 | Confident | 91.4 | Very high | 115 Ų | 115 | 48.6 Ų | 48.6 | 62% | 0.615 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -14.7 | -172.2 | -53.3 | -74.4 | 0 | 0 | 0 | 114.7 | M130 K177 | M130-D179 HydrophobicContact CE-CB 3.95Å; M130-D179 HydrophobicContact SD-CB 3.98Å; K177-D179 VanDerWaalsContact C-N 3.33Å |
| 180 | D | 87.8 | Confident | 91.2 | Very high | 27 Ų | 27 | 48.6 Ų | 48.6 | 14% | 0.144 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -152.9 | 159.5 | -178.5 | -167.4 | 20 | 0 | 0 | 0 | 111.6 | M130 V178 N196 Y231 V233 K260 | M130-D180 HydrophobicContact CE-CB 4.21Å; M130-D180 HydrophobicContact SD-CB 3.41Å; M130-D180 WeakPolarHBondContact SD-CB 3.33Å; V178-D180 VanDerWaalsContact C-N 3.3Å; V178-D180 PolarHBondContact O-N 2.87Å; D180-N196 PolarHBondContact O-ND2 2.86Å; D180-Y231 HydrophobicContact CB-CE2 4.46Å; D180-Y231 WeakPolarHBondContact OD2-CE2 3.41Å; D180-Y231 PolarHBondContact OD2-OH 3.25Å; D180-V233 HydrophobicContact CB-CG2 4.43Å; D180-K260 IonicContact OD1-NZ 2.7Å; D180-K260 PolarHBondContact OD1-NZ 2.95Å; D180-K260 VanDerWaalsContact OD2-CE 3.23Å; D180-K260 WeakPolarHBondContact OD2-CE 3.43Å; D180-K260 IonicContact OD2-NZ 2.82Å; D180-K260 PolarHBondContact OD2-NZ 3.43Å |
| 181 | D | 90 | Very high | 91 | Very high | 102 Ų | 102 | 48.6 Ų | 48.6 | 55% | 0.545 | 26% | 0.262 | S | S | . | . | trans | -77.8 | 149.1 | 177 | -67.3 | -38.5 | 0 | 0 | 0 | 111.9 | L183 | D181-L183 PolarHBondContact O-N 3.35Š| ||
| 182 | A | 94.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 115.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S171 T172 A175 W195 N196 V197 | S171-A182 WeakPolarHBondContact CA-O 3.34Å; T172-A182 HydrophobicContact CG2-CB 3.4Å; T172-A182 VanDerWaalsContact CG2-CB 3.4Å; T172-A182 PolarHBondContact N-O 2.88Å; T172-A182 WeakPolarHBondContact O-CB 3.32Å; A175-A182 HydrophobicContact CB-CB 3.88Å; A182-W195 WeakPolarHBondContact CA-O 3.47Å; A182-N196 WeakPolarHBondContact CB-O 3.33Å; A182-V197 HydrophobicContact CB-CG2 4.17Å |
| 183 | L | 95.6 | Very high | 91.4 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 143.3 | -174.8 | -68.4 | 169.9 | 0 | 0 | 0 | 111.3 | I158 V169 D181 F185 W195 V257 K260 | I158-L183 HydrophobicContact CD1-CD2 3.45Å; I158-L183 VanDerWaalsContact CD1-CD2 3.45Å; V169-L183 HydrophobicContact CG1-CD2 4.49Å; D181-L183 PolarHBondContact O-N 3.35Å; L183-F185 HydrophobicContact CB-CE2 4.18Å; L183-W195 HydrophobicContact CB-CB 4.22Å; L183-W195 PolarHBondContact N-O 3.47Å; L183-W195 PolarHBondContact O-N 2.9Å; L183-V257 HydrophobicContact CD1-CG2 4.11Å; L183-K260 HydrophobicContact CD1-CD 3.61Å |
| 184 | I | 96.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 124.8 | 179.9 | -47.8 | 176.5 | 0 | 0 | 0 | 108.8 | V169 I170 F186 V192 V193 F194 V197 V205 | V169-I184 WeakPolarHBondContact CA-O 3.23Å; I170-I184 HydrophobicContact CB-CB 4.41Å; I170-I184 PolarHBondContact N-O 3.27Å; I170-I184 PolarHBondContact O-N 2.8Å; I184-F186 HydrophobicContact CB-CE2 3.96Å; I184-F186 HydrophobicContact CB-CZ 4.37Å; I184-F186 HydrophobicContact CG2-CD2 4.05Å; I184-F186 HydrophobicContact CG2-CE1 4.1Å; I184-F186 HydrophobicContact CG2-CE2 3.42Å; I184-F186 VanDerWaalsContact CG2-CE2 3.42Å; I184-F186 HydrophobicContact CG2-CZ 3.47Å; I184-F186 VanDerWaalsContact CG2-CZ 3.47Å; I184-V192 HydrophobicContact CG2-CG2 3.63Å; I184-V193 CarbonylContact C-O 3.58Å; I184-V193 VanDerWaalsContact CA-O 3.32Å; I184-V193 WeakPolarHBondContact CA-O 3.29Å; I184-F194 HydrophobicContact CB-CD1 4.5Å; I184-F194 HydrophobicContact CD1-CD1 4.03Å; I184-F194 HydrophobicContact CD1-CE1 4.03Å; I184-F194 HydrophobicContact CG1-CD1 3.93Å; I184-F194 HydrophobicContact CG1-CE1 4.32Å; I184-F194 HydrophobicContact CG2-CD1 3.87Å; I184-F194 HydrophobicContact CG2-CE1 3.8Å; I184-V197 HydrophobicContact CD1-CG2 4.33Å; I184-V197 HydrophobicContact CG1-CG2 3.84Å; I184-V205 HydrophobicContact CD1-CG1 4.4Å; I184-V205 HydrophobicContact CD1-CG2 3.88Å |
| 185 | F | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 118.8 | 176.2 | -64.4 | -93 | 0 | 0 | 0 | 109.3 | V167 V169 L183 F187 V192 V193 W195 V257 K260 F261 S264 | V167-F185 HydrophobicContact CG1-CB 4.39Å; V167-F185 HydrophobicContact CG1-CD1 4.14Å; V169-F185 HydrophobicContact CB-CD1 4.44Å; V169-F185 HydrophobicContact CB-CE1 4.42Å; V169-F185 HydrophobicContact CG1-CD1 4.21Å; V169-F185 HydrophobicContact CG1-CE1 3.89Å; V169-F185 HydrophobicContact CG1-CZ 4.26Å; V169-F185 HydrophobicContact CG2-CD1 3.54Å; V169-F185 HydrophobicContact CG2-CE1 3.6Å; L183-F185 HydrophobicContact CB-CE2 4.18Å; F185-F187 HydrophobicContact CB-CD2 4.32Å; F185-F187 HydrophobicContact CB-CE2 3.59Å; F185-F187 HydrophobicContact CB-CZ 4.25Å; F185-V192 CarbonylContact O-C 3.48Å; F185-V192 VanDerWaalsContact O-CA 3.25Å; F185-V192 WeakPolarHBondContact O-CA 3.46Å; F185-V193 HydrophobicContact CB-CB 4.34Å; F185-V193 PolarHBondContact N-O 2.83Å; F185-V193 PolarHBondContact O-N 3.42Å; F185-W195 AromaticContact CD2-CD1 3.6Å; F185-W195 AromaticContact CD2-NE1 3.7Å; F185-W195 AromaticContact CE2-CD1 3.54Å; F185-W195 HydrophobicContact CE2-CG 4.42Å; F185-W195 AromaticContact CE2-NE1 3.64Å; F185-V257 HydrophobicContact CE1-CG1 4.39Å; F185-V257 HydrophobicContact CZ-CG1 4.35Å; F185-K260 HydrophobicContact CE2-CB 3.98Å; F185-K260 HydrophobicContact CZ-CB 3.87Å; F185-F261 HydrophobicContact CD1-CB 4.47Å; F185-F261 HydrophobicContact CD1-CD2 4.21Å; F185-F261 HydrophobicContact CE1-CB 3.83Å; F185-F261 HydrophobicContact CE1-CD2 4.28Å; F185-F261 HydrophobicContact CZ-CB 4.4Å; F185-S264 WeakPolarHBondContact CD2-OG 3.38Å |
| 186 | F | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 117.4 | 172.9 | -58.2 | -90.9 | 0 | 0 | 0 | 109.7 | Y141 L143 L146 L150 V167 L168 I170 I184 V192 V205 L209 | Y141-F186 HydrophobicContact CD2-CB 4.46Å; L143-F186 HydrophobicContact CD2-CB 4Å; L146-F186 HydrophobicContact CD2-CB 4.12Å; L146-F186 HydrophobicContact CD2-CD1 3.65Å; L146-F186 HydrophobicContact CD2-CD2 4.47Å; L146-F186 HydrophobicContact CD2-CE1 4.09Å; L146-F186 HydrophobicContact CD2-CG 3.83Å; L150-F186 HydrophobicContact CD1-CD2 4.25Å; L150-F186 HydrophobicContact CD1-CE1 4.49Å; L150-F186 HydrophobicContact CD1-CE2 3.52Å; L150-F186 HydrophobicContact CD1-CZ 3.65Å; V167-F186 WeakPolarHBondContact CA-O 3.45Å; L168-F186 HydrophobicContact CB-CB 4.22Å; L168-F186 HydrophobicContact CD2-CD2 4.21Å; L168-F186 HydrophobicContact CG-CD2 4.29Å; L168-F186 PolarHBondContact N-O 2.84Å; L168-F186 PolarHBondContact O-N 3.08Å; I170-F186 HydrophobicContact CB-CE2 4.11Å; I170-F186 HydrophobicContact CG1-CD2 4.21Å; I170-F186 HydrophobicContact CG1-CE2 3.87Å; I184-F186 HydrophobicContact CB-CE2 3.96Å; I184-F186 HydrophobicContact CB-CZ 4.37Å; I184-F186 HydrophobicContact CG2-CD2 4.05Å; I184-F186 HydrophobicContact CG2-CE1 4.1Å; I184-F186 HydrophobicContact CG2-CE2 3.42Å; I184-F186 VanDerWaalsContact CG2-CE2 3.42Å; I184-F186 HydrophobicContact CG2-CZ 3.47Å; I184-F186 VanDerWaalsContact CG2-CZ 3.47Å; F186-V192 HydrophobicContact CD1-CB 4.03Å; F186-V192 HydrophobicContact CD1-CG2 3.6Å; F186-V192 HydrophobicContact CE1-CB 4.36Å; F186-V192 HydrophobicContact CE1-CG2 3.59Å; F186-V192 HydrophobicContact CG-CG2 4.3Å; F186-V192 HydrophobicContact CZ-CG2 4.28Å; F186-V205 HydrophobicContact CE1-CG1 3.78Å; F186-V205 HydrophobicContact CZ-CG1 3.5Å; F186-L209 HydrophobicContact CD1-CD1 3.94Å; F186-L209 HydrophobicContact CE1-CD1 4.03Å; F186-L209 HydrophobicContact CE1-CD2 4.41Å |
| 187 | F | 93.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 133.2 | 177.8 | -67.7 | -99.1 | 0 | 0 | 0 | 109.1 | Y141 V167 F185 E189 G190 S191 V193 F261 N265 C268 | Y141-F187 WeakPolarHBondContact CD2-O 3.44Å; V167-F187 HydrophobicContact CG1-CE1 4.38Å; V167-F187 HydrophobicContact CG1-CZ 4.37Å; V167-F187 HydrophobicContact CG2-CD1 3.32Å; V167-F187 HydrophobicContact CG2-CE1 3.42Å; V167-F187 VanDerWaalsContact CG2-CE1 3.42Å; V167-F187 HydrophobicContact CG2-CG 4.04Å; V167-F187 HydrophobicContact CG2-CZ 4.21Å; F185-F187 HydrophobicContact CB-CD2 4.32Å; F185-F187 HydrophobicContact CB-CE2 3.59Å; F185-F187 HydrophobicContact CB-CZ 4.25Å; F187-E189 PolarHBondContact O-N 3.27Å; F187-G190 PolarHBondContact O-N 3.23Å; F187-S191 WeakPolarHBondContact CB-O 3.07Å; F187-S191 PolarHBondContact N-O 2.86Å; F187-V193 HydrophobicContact CE2-CG2 3.98Å; F187-F261 HydrophobicContact CE1-CE2 4.36Å; F187-N265 HydrophobicContact CE1-CB 3.96Å; F187-N265 WeakPolarHBondContact CE1-OD1 3.22Å; F187-N265 HydrophobicContact CZ-CB 4.22Å; F187-C268 HydrophobicContact CD1-CB 4.32Å; F187-C268 HydrophobicContact CD2-CB 3.73Å; F187-C268 WeakPolarHBondContact CD2-SG 3.43Å; F187-C268 HydrophobicContact CE1-CB 4.49Å; F187-C268 HydrophobicContact CE2-CB 3.92Å; F187-C268 WeakPolarHBondContact CE2-SG 3.2Å; F187-C268 HydrophobicContact CG-CB 3.95Å; F187-C268 HydrophobicContact CZ-CB 4.31Å |
| 188 | R | 91.2 | Very high | 92.8 | Very high | 129 Ų | 129 | 31.7 Ų | 31.7 | 49% | 0.487 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -28 | 177 | -177.9 | 177.5 | 173.7 | 172.6 | 0.7 | 112.1 | Q140 Y141 L143 N166 G190 | Q140-R188 CarbonylContact C-O 3.52Å; Q140-R188 WeakPolarHBondContact CA-O 3.46Å; Q140-R188 WeakPolarHBondContact CB-O 3.17Å; Y141-R188 PolarHBondContact N-O 3.14Å; L143-R188 HydrophobicContact CD1-CB 3.83Å; L143-R188 HydrophobicContact CG-CB 4.23Å; N166-R188 HydrophobicContact CB-CB 4.26Å; N166-R188 WeakPolarHBondContact O-CB 3.2Å; N166-R188 PolarHBondContact O-N 3.35Å; R188-G190 PolarHBondContact O-N 2.93Å |
| 189 | E | 87.3 | Confident | 93.1 | Very high | 33 Ų | 33 | 30.3 Ų | 30.3 | 15% | 0.154 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -0.4 | 175.5 | -68 | 75.8 | -153.2 | 0 | 0 | 114.1 | D139 F187 L269 K273 | D139-E189 CarbonylContact C-O 3.28Å; D139-E189 CarbonylContact O-C 3.58Å; F187-E189 PolarHBondContact O-N 3.27Å; E189-L269 HydrophobicContact CB-CD2 3.8Å; E189-L269 HydrophobicContact CG-CD2 3.54Å; E189-K273 WeakPolarHBondContact O-CE 3.02Å; E189-K273 PolarHBondContact O-NZ 3.31Å |
| 190 | G | 91.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 37.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T137 A138 Y141 F187 R188 K273 | T137-G190 PolarHBondContact N-O 2.91Å; T137-G190 VanDerWaalsContact N-O 3.09Å; A138-G190 PolarHBondContact N-O 3.03Å; A138-G190 CarbonylContact O-C 3.56Å; A138-G190 VanDerWaalsContact O-CA 3.22Å; A138-G190 WeakPolarHBondContact O-CA 3.21Å; Y141-G190 VanDerWaalsContact CE1-CA 3.49Å; Y141-G190 VanDerWaalsContact CE2-C 3.5Å; Y141-G190 VanDerWaalsContact CZ-CA 3.43Å; Y141-G190 PolarHBondContact OH-O 3.24Å; F187-G190 PolarHBondContact O-N 3.23Å; R188-G190 PolarHBondContact O-N 2.93Å; G190-K273 WeakPolarHBondContact O-CE 3.46Å; G190-K273 PolarHBondContact O-NZ 3.26Å; G190-K273 VanDerWaalsContact O-NZ 3.12Å |
| 191 | S | 92.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 147.7 | 173.8 | -55.8 | 0 | 0 | 0 | 0 | 110.6 | F135 Y141 F187 C268 K273 | F135-S191 CarbonylContact O-C 3.58Å; F135-S191 WeakPolarHBondContact O-CA 3.38Å; F135-S191 WeakPolarHBondContact O-CB 3.3Å; Y141-S191 WeakPolarHBondContact CE2-O 3.37Å; Y141-S191 PolarHBondContact OH-N 2.94Å; F187-S191 WeakPolarHBondContact CB-O 3.07Å; F187-S191 PolarHBondContact N-O 2.86Å; S191-C268 WeakPolarHBondContact CB-SG 3.13Å; S191-C268 PolarHBondContact OG-O 3.13Å; S191-K273 VanDerWaalsContact OG-CE 3.28Å; S191-K273 WeakPolarHBondContact OG-CE 3.37Å; S191-K273 WeakPolarHBondContact OG-CG 3.24Å |
| 192 | V | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 138.3 | 179.9 | 59 | 0 | 0 | 0 | 0 | 110.3 | A134 F135 T137 Y141 I184 F185 F186 F194 L206 L209 | A134-V192 CarbonylContact C-O 3.58Å; A134-V192 WeakPolarHBondContact CA-O 3.49Å; F135-V192 HydrophobicContact CB-CG1 3.96Å; F135-V192 HydrophobicContact CD2-CG1 4.46Å; F135-V192 PolarHBondContact N-O 3.05Å; F135-V192 PolarHBondContact O-N 3.46Å; T137-V192 HydrophobicContact CG2-CG1 4.29Å; Y141-V192 HydrophobicContact CE2-CB 4.47Å; I184-V192 HydrophobicContact CG2-CG2 3.63Å; F185-V192 CarbonylContact O-C 3.48Å; F185-V192 VanDerWaalsContact O-CA 3.25Å; F185-V192 WeakPolarHBondContact O-CA 3.46Å; F186-V192 HydrophobicContact CD1-CB 4.03Å; F186-V192 HydrophobicContact CD1-CG2 3.6Å; F186-V192 HydrophobicContact CE1-CB 4.36Å; F186-V192 HydrophobicContact CE1-CG2 3.59Å; F186-V192 HydrophobicContact CG-CG2 4.3Å; F186-V192 HydrophobicContact CZ-CG2 4.28Å; V192-F194 HydrophobicContact CB-CE2 4.33Å; V192-F194 HydrophobicContact CG1-CE2 3.67Å; V192-F194 HydrophobicContact CG1-CZ 4.08Å; V192-F194 HydrophobicContact CG2-CD2 4.34Å; V192-F194 HydrophobicContact CG2-CE1 4.2Å; V192-F194 HydrophobicContact CG2-CE2 3.74Å; V192-F194 HydrophobicContact CG2-CZ 3.66Å; V192-L206 HydrophobicContact CG1-CD2 4.17Å; V192-L209 HydrophobicContact CB-CD2 4.37Å; V192-L209 HydrophobicContact CG1-CD2 4.04Å |
| 193 | V | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 132.3 | 173.9 | -167.9 | 0 | 0 | 0 | 0 | 109.9 | C132 I133 A134 I184 F185 F187 C268 | C132-V193 WeakPolarHBondContact SG-CG1 3.47Å; I133-V193 CarbonylContact O-C 3.56Å; I133-V193 WeakPolarHBondContact O-CA 3.11Å; A134-V193 HydrophobicContact CB-CG1 4.37Å; A134-V193 HydrophobicContact CB-CG2 3.94Å; I184-V193 CarbonylContact C-O 3.58Å; I184-V193 VanDerWaalsContact CA-O 3.32Å; I184-V193 WeakPolarHBondContact CA-O 3.29Å; F185-V193 HydrophobicContact CB-CB 4.34Å; F185-V193 PolarHBondContact N-O 2.83Å; F185-V193 PolarHBondContact O-N 3.42Å; F187-V193 HydrophobicContact CE2-CG2 3.98Å; V193-C268 HydrophobicContact CG2-CB 4.46Å; V193-C268 WeakPolarHBondContact CG2-SG 3.48Å |
| 194 | F | 96.1 | Very high | 94 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 125.5 | 176.4 | -60 | -86.7 | 0 | 0 | 0 | 109.5 | C132 I133 F135 I184 V192 V197 M202 V205 L206 | C132-F194 CarbonylContact C-O 3.55Å; C132-F194 VanDerWaalsContact CA-O 3.32Å; C132-F194 WeakPolarHBondContact CA-O 3.45Å; I133-F194 PolarHBondContact N-O 3.05Å; I133-F194 PolarHBondContact O-N 3.21Å; F135-F194 AromaticContact CD2-CD2 3.74Å; F135-F194 HydrophobicContact CD2-CD2 3.74Å; F135-F194 AromaticContact CD2-CE2 3.57Å; F135-F194 HydrophobicContact CD2-CE2 3.57Å; F135-F194 AromaticContact CE2-CD2 3.75Å; F135-F194 HydrophobicContact CE2-CD2 3.75Å; F135-F194 AromaticContact CE2-CE2 3.8Å; F135-F194 HydrophobicContact CE2-CE2 3.8Å; I184-F194 HydrophobicContact CB-CD1 4.5Å; I184-F194 HydrophobicContact CD1-CD1 4.03Å; I184-F194 HydrophobicContact CD1-CE1 4.03Å; I184-F194 HydrophobicContact CG1-CD1 3.93Å; I184-F194 HydrophobicContact CG1-CE1 4.32Å; I184-F194 HydrophobicContact CG2-CD1 3.87Å; I184-F194 HydrophobicContact CG2-CE1 3.8Å; V192-F194 HydrophobicContact CB-CE2 4.33Å; V192-F194 HydrophobicContact CG1-CE2 3.67Å; V192-F194 HydrophobicContact CG1-CZ 4.08Å; V192-F194 HydrophobicContact CG2-CD2 4.34Å; V192-F194 HydrophobicContact CG2-CE1 4.2Å; V192-F194 HydrophobicContact CG2-CE2 3.74Å; V192-F194 HydrophobicContact CG2-CZ 3.66Å; F194-V197 HydrophobicContact CB-CB 4.19Å; F194-V197 HydrophobicContact CB-CG2 3.99Å; F194-V197 HydrophobicContact CD1-CB 4.25Å; F194-V197 HydrophobicContact CD1-CG1 4.32Å; F194-V197 HydrophobicContact CD1-CG2 4.07Å; F194-M202 HydrophobicContact CB-CE 4Å; F194-M202 HydrophobicContact CD1-CB 4.36Å; F194-M202 HydrophobicContact CD1-CG 3.92Å; F194-M202 HydrophobicContact CD2-CE 4.35Å; F194-M202 HydrophobicContact CD2-CG 3.85Å; F194-M202 HydrophobicContact CD2-SD 4.24Å; F194-M202 HydrophobicContact CE1-CB 4.36Å; F194-M202 HydrophobicContact CE1-CG 3.85Å; F194-M202 HydrophobicContact CE2-CG 3.77Å; F194-M202 HydrophobicContact CG-CE 4.13Å; F194-M202 HydrophobicContact CG-CG 3.92Å; F194-M202 HydrophobicContact CG-SD 4.49Å; F194-M202 HydrophobicContact CZ-CG 3.78Å; F194-V205 HydrophobicContact CE1-CB 4.02Å; F194-V205 HydrophobicContact CE1-CG1 3.77Å; F194-V205 HydrophobicContact CZ-CB 4.41Å; F194-V205 HydrophobicContact CZ-CG1 4.01Å; F194-L206 HydrophobicContact CE2-CD2 4.19Å; F194-L206 HydrophobicContact CE2-CG 4.44Å; F194-L206 HydrophobicContact CZ-CD2 4.11Å; F194-L206 HydrophobicContact CZ-CG 4.14Å |
| 195 | W | 96 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 120.6 | 172.9 | -69.9 | 77.9 | 0 | 0 | 0 | 109.4 | C132 A182 L183 F185 V197 Y231 F245 L247 K260 F263 S264 | C132-W195 HydrophobicContact CB-CD2 4.08Å; C132-W195 HydrophobicContact CB-CE3 3.99Å; C132-W195 HydrophobicContact CB-CH2 4.18Å; C132-W195 HydrophobicContact CB-CZ2 4.26Å; C132-W195 HydrophobicContact CB-CZ3 4.04Å; C132-W195 WeakPolarHBondContact SG-CZ2 3.49Å; A182-W195 WeakPolarHBondContact CA-O 3.47Å; L183-W195 HydrophobicContact CB-CB 4.22Å; L183-W195 PolarHBondContact N-O 3.47Å; L183-W195 PolarHBondContact O-N 2.9Å; F185-W195 AromaticContact CD2-CD1 3.6Å; F185-W195 AromaticContact CD2-NE1 3.7Å; F185-W195 AromaticContact CE2-CD1 3.54Å; F185-W195 HydrophobicContact CE2-CG 4.42Å; F185-W195 AromaticContact CE2-NE1 3.64Å; W195-V197 WeakPolarHBondContact O-CG2 3.44Å; W195-V197 PolarHBondContact O-N 3.02Å; W195-Y231 AromaticContact CE3-CD1 3.98Å; W195-Y231 HydrophobicContact CE3-CD1 3.98Å; W195-Y231 AromaticContact CE3-CE1 3.6Å; W195-Y231 HydrophobicContact CE3-CE1 3.6Å; W195-Y231 HydrophobicContact CE3-CE2 4.24Å; W195-Y231 HydrophobicContact CE3-CG 4.42Å; W195-Y231 AromaticContact CE3-CZ 3.72Å; W195-Y231 AromaticContact CZ3-CD1 4Å; W195-Y231 HydrophobicContact CZ3-CD1 4Å; W195-Y231 HydrophobicContact CZ3-CD2 4.34Å; W195-Y231 HydrophobicContact CZ3-CE1 4.09Å; W195-Y231 HydrophobicContact CZ3-CE2 4.43Å; W195-Y231 HydrophobicContact CZ3-CG 4.1Å; W195-F245 AromaticContact CH2-CD2 3.61Å; W195-F245 HydrophobicContact CH2-CD2 3.61Å; W195-F245 AromaticContact CH2-CE2 3.91Å; W195-F245 HydrophobicContact CH2-CE2 3.91Å; W195-F245 HydrophobicContact CH2-CG 4.47Å; W195-F245 HydrophobicContact CZ2-CE2 4.46Å; W195-F245 HydrophobicContact CZ3-CD2 4.06Å; W195-L247 HydrophobicContact CZ3-CD1 4.17Å; W195-K260 HydrophobicContact CD2-CB 4.35Å; W195-K260 HydrophobicContact CD2-CD 4.31Å; W195-K260 HydrophobicContact CD2-CG 4.14Å; W195-K260 HydrophobicContact CE3-CD 4.3Å; W195-K260 HydrophobicContact CE3-CG 4.06Å; W195-K260 HydrophobicContact CH2-CG 4.3Å; W195-K260 HydrophobicContact CZ2-CB 4.16Å; W195-K260 HydrophobicContact CZ2-CG 4.36Å; W195-K260 HydrophobicContact CZ3-CG 4.15Å; W195-F263 HydrophobicContact CH2-CB 3.87Å; W195-F263 HydrophobicContact CH2-CD2 4.05Å; W195-F263 HydrophobicContact CH2-CG 4.26Å; W195-F263 HydrophobicContact CZ2-CB 3.73Å; W195-S264 PolarHBondContact NE1-OG 3.38Å |
| 196 | N | 94.6 | Very high | 93.8 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 50.4 | 32.7 | 177.2 | -165.4 | 30 | 0 | 0 | 0 | 114.6 | Q131 A175 A176 K177 D180 A182 Y231 | Q131-N196 PolarHBondContact O-N 2.83Å; A175-N196 CarbonylContact C-O 3.52Å; A175-N196 VanDerWaalsContact CA-O 3.29Å; A175-N196 WeakPolarHBondContact CA-O 3.38Å; A176-N196 WeakPolarHBondContact CB-OD1 3.25Å; A176-N196 PolarHBondContact N-O 3.19Å; A176-N196 PolarHBondContact N-OD1 3.47Å; K177-N196 PolarHBondContact N-OD1 2.88Å; K177-N196 PolarHBondContact O-ND2 2.87Å; D180-N196 PolarHBondContact O-ND2 2.86Å; A182-N196 WeakPolarHBondContact CB-O 3.33Å; N196-Y231 VanDerWaalsContact CB-OH 3.3Å; N196-Y231 WeakPolarHBondContact CB-OH 3.2Å |
| 197 | V | 94.7 | Very high | 93.8 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 7% | 0.067 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -92.3 | 133.6 | -179.8 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | T172 A182 I184 F194 W195 E201 M202 | T172-V197 HydrophobicContact CG2-CG1 4.41Å; T172-V197 HydrophobicContact CG2-CG2 4.47Å; A182-V197 HydrophobicContact CB-CG2 4.17Å; I184-V197 HydrophobicContact CD1-CG2 4.33Å; I184-V197 HydrophobicContact CG1-CG2 3.84Å; F194-V197 HydrophobicContact CB-CB 4.19Å; F194-V197 HydrophobicContact CB-CG2 3.99Å; F194-V197 HydrophobicContact CD1-CB 4.25Å; F194-V197 HydrophobicContact CD1-CG1 4.32Å; F194-V197 HydrophobicContact CD1-CG2 4.07Å; W195-V197 WeakPolarHBondContact O-CG2 3.44Å; W195-V197 PolarHBondContact O-N 3.02Å; V197-E201 HydrophobicContact CG1-CB 3.89Å; V197-E201 HydrophobicContact CG1-CG 4.37Å; V197-M202 HydrophobicContact CG1-CB 4.37Å |
| 198 | Q | 93.9 | Very high | 93.8 | Very high | 86 Ų | 86 | 46.9 Ų | 46.9 | 40% | 0.402 | 20% | 0.203 | S | C | . | . | trans | -62 | 140.4 | 175 | -167.3 | -179 | 57.6 | 0 | 0 | 111.6 | N174 K200 E201 M202 | N174-Q198 PolarHBondContact O-N 2.93Å; Q198-K200 PolarHBondContact O-N 3.05Å; Q198-E201 PolarHBondContact O-N 2.81Å; Q198-M202 PolarHBondContact O-N 2.83Å | ||
| 199 | E | 91.6 | Very high | 93.9 | Very high | 121 Ų | 121 | 40.7 Ų | 40.7 | 57% | 0.565 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -57.1 | -30.7 | -175.7 | -161.4 | -173.6 | 160.5 | 0 | 0 | 113.9 | K203 | E199-K203 WeakPolarHBondContact O-CG 3.32Å; E199-K203 PolarHBondContact O-N 3.02Å; E199-K203 VanDerWaalsContact OE1-CE 3.24Å; E199-K203 WeakPolarHBondContact OE1-CE 3.45Å; E199-K203 IonicContact OE1-NZ 3.75Å; E199-K203 PolarHBondContact OE1-NZ 3.3Å |
| 200 | K | 93.1 | Very high | 94.3 | Very high | 163 Ų | 163 | 44.6 Ų | 44.6 | 71% | 0.709 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -65.6 | -44.5 | 174.6 | -69.1 | -179.7 | -178.1 | 173.4 | 0 | 111.9 | Q198 K203 K204 | Q198-K200 PolarHBondContact O-N 3.05Å; K200-K203 PolarHBondContact O-N 2.67Å; K200-K204 PolarHBondContact O-N 3.23Å; K200-K204 VanDerWaalsContact O-N 3.14Å |
| 201 | E | 94.2 | Very high | 94.4 | Very high | 17 Ų | 17 | 51.7 Ų | 51.7 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.1 | -40.3 | 179 | -158.9 | 65.8 | -159.1 | 0 | 0 | 110.3 | F155 N174 V197 Q198 K203 K204 V205 | F155-E201 HydrophobicContact CE1-CG 4.14Å; F155-E201 WeakPolarHBondContact CE1-OE1 3.32Å; F155-E201 HydrophobicContact CZ-CG 4.26Å; F155-E201 WeakPolarHBondContact CZ-OE1 3.4Å; N174-E201 HydrophobicContact CB-CB 4.18Å; N174-E201 HydrophobicContact CB-CG 4.13Å; N174-E201 PolarHBondContact ND2-OE2 2.87Å; V197-E201 HydrophobicContact CG1-CB 3.89Å; V197-E201 HydrophobicContact CG1-CG 4.37Å; Q198-E201 PolarHBondContact O-N 2.81Å; E201-K203 PolarHBondContact O-N 2.77Å; E201-K204 WeakPolarHBondContact O-CB 3.46Å; E201-K204 PolarHBondContact O-N 3.5Å; E201-K204 VanDerWaalsContact O-N 3.09Å; E201-K204 IonicContact OE1-NZ 3.61Å; E201-K204 PolarHBondContact OE1-NZ 3.06Å; E201-V205 WeakPolarHBondContact O-CG2 3.3Å; E201-V205 PolarHBondContact O-N 3.42Å |
| 202 | M | 94.4 | Very high | 94.5 | Very high | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.9 | -47.5 | 173.6 | -173.6 | -169.2 | -60.2 | 0 | 0 | 112 | I133 F135 F194 V197 Q198 K204 V205 L206 | I133-M202 HydrophobicContact CD1-CE 3.77Å; F135-M202 HydrophobicContact CE2-CG 4.48Å; F135-M202 HydrophobicContact CE2-SD 3.7Å; F135-M202 HydrophobicContact CZ-SD 3.95Å; F194-M202 HydrophobicContact CB-CE 4Å; F194-M202 HydrophobicContact CD1-CB 4.36Å; F194-M202 HydrophobicContact CD1-CG 3.92Å; F194-M202 HydrophobicContact CD2-CE 4.35Å; F194-M202 HydrophobicContact CD2-CG 3.85Å; F194-M202 HydrophobicContact CD2-SD 4.24Å; F194-M202 HydrophobicContact CE1-CB 4.36Å; F194-M202 HydrophobicContact CE1-CG 3.85Å; F194-M202 HydrophobicContact CE2-CG 3.77Å; F194-M202 HydrophobicContact CG-CE 4.13Å; F194-M202 HydrophobicContact CG-CG 3.92Å; F194-M202 HydrophobicContact CG-SD 4.49Å; F194-M202 HydrophobicContact CZ-CG 3.78Å; V197-M202 HydrophobicContact CG1-CB 4.37Å; Q198-M202 PolarHBondContact O-N 2.83Å; M202-K204 VanDerWaalsContact C-N 3.31Å; M202-K204 PolarHBondContact O-N 3.44Å; M202-V205 PolarHBondContact O-N 2.86Å; M202-L206 HydrophobicContact CG-CD1 4.31Å; M202-L206 WeakPolarHBondContact O-CG 3.49Å; M202-L206 PolarHBondContact O-N 3.27Å |
| 203 | K | 94 | Very high | 94.5 | Very high | 105 Ų | 105 | 54.7 Ų | 54.7 | 46% | 0.457 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.3 | -35.4 | 176.3 | -75.1 | 171.6 | -175.7 | 163.2 | 0 | 112.8 | E199 K200 E201 R207 | E199-K203 WeakPolarHBondContact O-CG 3.32Å; E199-K203 PolarHBondContact O-N 3.02Å; E199-K203 VanDerWaalsContact OE1-CE 3.24Å; E199-K203 WeakPolarHBondContact OE1-CE 3.45Å; E199-K203 IonicContact OE1-NZ 3.75Å; E199-K203 PolarHBondContact OE1-NZ 3.3Å; K200-K203 PolarHBondContact O-N 2.67Å; E201-K203 PolarHBondContact O-N 2.77Å; K203-R207 WeakPolarHBondContact O-CG 3.27Å; K203-R207 PolarHBondContact O-N 2.99Å |
| 204 | K | 94.3 | Very high | 94.4 | Very high | 76 Ų | 76 | 58 Ų | 58 | 33% | 0.33 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.8 | -46.9 | 175.1 | 174.9 | -175.5 | 160.8 | -151.4 | 0 | 110.5 | K200 E201 M202 R207 L208 | K200-K204 PolarHBondContact O-N 3.23Å; K200-K204 VanDerWaalsContact O-N 3.14Å; E201-K204 WeakPolarHBondContact O-CB 3.46Å; E201-K204 PolarHBondContact O-N 3.5Å; E201-K204 VanDerWaalsContact O-N 3.09Å; E201-K204 IonicContact OE1-NZ 3.61Å; E201-K204 PolarHBondContact OE1-NZ 3.06Å; M202-K204 VanDerWaalsContact C-N 3.31Å; M202-K204 PolarHBondContact O-N 3.44Å; K204-R207 PolarHBondContact O-N 2.86Å; K204-L208 PolarHBondContact O-N 3.34Å; K204-L208 VanDerWaalsContact O-N 3.16Å |
| 205 | V | 95.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 178.2 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | F155 I184 F186 F194 E201 M202 R207 L208 L209 | F155-V205 HydrophobicContact CE1-CG2 3.94Å; F155-V205 HydrophobicContact CE2-CG2 4.24Å; F155-V205 HydrophobicContact CZ-CG2 3.49Å; F155-V205 VanDerWaalsContact CZ-CG2 3.49Å; I184-V205 HydrophobicContact CD1-CG1 4.4Å; I184-V205 HydrophobicContact CD1-CG2 3.88Å; F186-V205 HydrophobicContact CE1-CG1 3.78Å; F186-V205 HydrophobicContact CZ-CG1 3.5Å; F194-V205 HydrophobicContact CE1-CB 4.02Å; F194-V205 HydrophobicContact CE1-CG1 3.77Å; F194-V205 HydrophobicContact CZ-CB 4.41Å; F194-V205 HydrophobicContact CZ-CG1 4.01Å; E201-V205 WeakPolarHBondContact O-CG2 3.3Å; E201-V205 PolarHBondContact O-N 3.42Å; M202-V205 PolarHBondContact O-N 2.86Å; V205-R207 VanDerWaalsContact C-N 3.27Å; V205-R207 PolarHBondContact O-N 3.18Å; V205-L208 PolarHBondContact O-N 3.03Å; V205-L208 VanDerWaalsContact O-N 3.12Å; V205-L209 WeakPolarHBondContact O-CB 3.3Å; V205-L209 PolarHBondContact O-N 3.46Å |
| 206 | L | 94.4 | Very high | 94 | Very high | 25 Ų | 25 | 64.7 Ų | 64.7 | 13% | 0.131 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.1 | -37.3 | 177 | -72.2 | 172.5 | 0 | 0 | 0 | 112.3 | T137 V192 F194 M202 L209 E210 | T137-L206 HydrophobicContact CG2-CD2 4.06Å; V192-L206 HydrophobicContact CG1-CD2 4.17Å; F194-L206 HydrophobicContact CE2-CD2 4.19Å; F194-L206 HydrophobicContact CE2-CG 4.44Å; F194-L206 HydrophobicContact CZ-CD2 4.11Å; F194-L206 HydrophobicContact CZ-CG 4.14Å; M202-L206 HydrophobicContact CG-CD1 4.31Å; M202-L206 WeakPolarHBondContact O-CG 3.49Å; M202-L206 PolarHBondContact O-N 3.27Å; L206-L209 HydrophobicContact CD2-CD2 4.38Å; L206-L209 WeakPolarHBondContact O-CB 3.1Å; L206-L209 PolarHBondContact O-N 2.88Å; L206-E210 PolarHBondContact O-N 3.06Å |
| 207 | R | 94.1 | Very high | 93.8 | Very high | 173 Ų | 173 | 65.6 Ų | 65.6 | 65% | 0.653 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -68.8 | -35 | 175.5 | -71.3 | 173.8 | -174.3 | 179.5 | 2.5 | 113.6 | K203 K204 V205 L209 H211 | K203-R207 WeakPolarHBondContact O-CG 3.27Å; K203-R207 PolarHBondContact O-N 2.99Å; K204-R207 PolarHBondContact O-N 2.86Å; V205-R207 VanDerWaalsContact C-N 3.27Å; V205-R207 PolarHBondContact O-N 3.18Å; R207-L209 VanDerWaalsContact C-N 3.33Å; R207-H211 PolarHBondContact O-ND1 2.72Å |
| 208 | L | 94.1 | Very high | 93.5 | Very high | 23 Ų | 23 | 71.5 Ų | 71.5 | 12% | 0.12 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.5 | -42.2 | 174.2 | -65 | 169.9 | 0 | 0 | 0 | 109.6 | L150 H153 F155 K204 V205 E210 H211 H212 | L150-L208 HydrophobicContact CD2-CD1 4.07Å; H153-L208 HydrophobicContact CB-CD1 4.3Å; F155-L208 HydrophobicContact CE2-CD1 4.21Å; K204-L208 PolarHBondContact O-N 3.34Å; K204-L208 VanDerWaalsContact O-N 3.16Å; V205-L208 PolarHBondContact O-N 3.03Å; V205-L208 VanDerWaalsContact O-N 3.12Å; L208-E210 VanDerWaalsContact C-N 3.29Å; L208-E210 PolarHBondContact O-N 3.14Å; L208-H211 PolarHBondContact O-N 3.36Å; L208-H212 PolarHBondContact O-CD2 2.92Å |
| 209 | L | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.5 | -37.9 | -179.4 | -166.4 | 61.2 | 0 | 0 | 0 | 113.1 | T137 Y141 L146 F186 V192 V205 L206 R207 H211 H212 E213 | T137-L209 HydrophobicContact CG2-CD2 4.19Å; Y141-L209 HydrophobicContact CD1-CD1 4.03Å; Y141-L209 HydrophobicContact CD1-CG 4.44Å; Y141-L209 HydrophobicContact CD2-CD1 4.1Å; Y141-L209 HydrophobicContact CE1-CD1 3.98Å; Y141-L209 HydrophobicContact CE1-CD2 4.01Å; Y141-L209 HydrophobicContact CE1-CG 3.98Å; Y141-L209 HydrophobicContact CE2-CD1 4.03Å; Y141-L209 HydrophobicContact CE2-CD2 4.13Å; Y141-L209 HydrophobicContact CG-CD1 4.12Å; Y141-L209 WeakPolarHBondContact OH-CD2 3.4Å; L146-L209 HydrophobicContact CD1-CD1 3.9Å; L146-L209 HydrophobicContact CD2-CD1 3.53Å; L146-L209 HydrophobicContact CG-CD1 4.37Å; F186-L209 HydrophobicContact CD1-CD1 3.94Å; F186-L209 HydrophobicContact CE1-CD1 4.03Å; F186-L209 HydrophobicContact CE1-CD2 4.41Å; V192-L209 HydrophobicContact CB-CD2 4.37Å; V192-L209 HydrophobicContact CG1-CD2 4.04Å; V205-L209 WeakPolarHBondContact O-CB 3.3Å; V205-L209 PolarHBondContact O-N 3.46Å; L206-L209 HydrophobicContact CD2-CD2 4.38Å; L206-L209 WeakPolarHBondContact O-CB 3.1Å; L206-L209 PolarHBondContact O-N 2.88Å; R207-L209 VanDerWaalsContact C-N 3.33Å; L209-H211 PolarHBondContact O-N 3.4Å; L209-H212 PolarHBondContact O-N 3.17Å; L209-E213 HydrophobicContact CG-CG 4.29Å; L209-E213 WeakPolarHBondContact O-CG 3.31Å; L209-E213 PolarHBondContact O-N 2.83Å |
| 210 | E | 93.8 | Very high | 92.9 | Very high | 114 Ų | 114 | 68.2 Ų | 68.2 | 53% | 0.533 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -48.7 | -32.2 | 178.3 | -72.8 | 176.5 | -171.3 | 0 | 0 | 113.8 | L206 L208 H212 | L206-E210 PolarHBondContact O-N 3.06Å; L208-E210 VanDerWaalsContact C-N 3.29Å; L208-E210 PolarHBondContact O-N 3.14Å; E210-H212 VanDerWaalsContact C-N 3.32Å |
| 211 | H | 94.1 | Very high | 92.5 | Very high | 149 Ų | 149 | 61.7 Ų | 61.7 | 69% | 0.69 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -79.5 | -15.2 | -179 | -61.6 | 82.6 | 0 | 0 | 0 | 113.6 | R207 L208 L209 | R207-H211 PolarHBondContact O-ND1 2.72Å; L208-H211 PolarHBondContact O-N 3.36Å; L209-H211 PolarHBondContact O-N 3.4Å |
| 212 | H | 95.5 | Very high | 92.1 | Very high | 28 Ų | 28 | 61.4 Ų | 61.4 | 13% | 0.13 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -113.8 | 5.8 | -175.7 | -58 | -67.7 | 0 | 0 | 0 | 112.8 | H142 T145 L146 D149 L208 L209 E210 | H142-H212 PolarHBondContact N-O 3.07Å; H142-H212 VanDerWaalsContact N-O 3.08Å; T145-H212 PolarHBondContact OG1-ND1 2.87Å; L146-H212 HydrophobicContact CB-CB 4.16Å; L146-H212 HydrophobicContact CD1-CB 4.35Å; D149-H212 IonicContact OD2-NE2 3.03Å; L208-H212 PolarHBondContact O-CD2 2.92Å; L209-H212 PolarHBondContact O-N 3.17Å; E210-H212 VanDerWaalsContact C-N 3.32Å |
| 213 | E | 95.2 | Very high | 91.7 | Very high | 35 Ų | 35 | 65.4 Ų | 65.4 | 16% | 0.164 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 129.9 | 179.4 | -79.4 | 175.3 | 179.1 | 0 | 0 | 112.4 | T137 A138 Y141 L209 P216 | T137-E213 WeakPolarHBondContact CB-OE1 3.26Å; T137-E213 PolarHBondContact OG1-OE1 3.43Å; A138-E213 HydrophobicContact CB-CB 3.61Å; A138-E213 HydrophobicContact CB-CG 3.57Å; Y141-E213 HydrophobicContact CD1-CG 3.98Å; Y141-E213 HydrophobicContact CE1-CG 3.77Å; L209-E213 HydrophobicContact CG-CG 4.29Å; L209-E213 WeakPolarHBondContact O-CG 3.31Å; L209-E213 PolarHBondContact O-N 2.83Å; E213-P216 HydrophobicContact CB-CB 4.21Å; E213-P216 VanDerWaalsContact OE2-CB 3.27Å; E213-P216 WeakPolarHBondContact OE2-CB 3.48Å |
| 214 | I | 93.6 | Very high | 91.2 | Very high | 70 Ų | 70 | 66.4 Ų | 66.4 | 36% | 0.359 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 112.1 | 172.1 | -57 | 172.2 | 0 | 0 | 0 | 107.3 | D139 Q140 H142 | D139-I214 PolarHBondContact N-O 3.22Å; D139-I214 VanDerWaalsContact N-O 3.15Å; Q140-I214 HydrophobicContact CB-CB 4.19Å; Q140-I214 HydrophobicContact CB-CD1 4.31Å; Q140-I214 PolarHBondContact N-O 2.73Å; Q140-I214 WeakPolarHBondContact O-CB 2.9Å; Q140-I214 PolarHBondContact O-N 3.36Å; H142-I214 HydrophobicContact CB-CD1 4.5Å |
| 215 | Q | 90.4 | Very high | 90.7 | Very high | 64 Ų | 64 | 62.9 Ų | 62.9 | 30% | 0.299 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 60.1 | 73.4 | -173.6 | -51.8 | -175.4 | 57.7 | 0 | 0 | 112.3 | A138 D139 | A138-Q215 CarbonylContact C-O 3.47Å; A138-Q215 VanDerWaalsContact CA-O 3.3Å; A138-Q215 WeakPolarHBondContact CA-O 3.33Å; D139-Q215 HydrophobicContact CB-CB 4.11Å; D139-Q215 PolarHBondContact N-O 3.31Å; D139-Q215 PolarHBondContact OD2-OE1 2.99Å |
| 216 | P | 93.4 | Very high | 90.4 | Very high | 78 Ų | 78 | 64 Ų | 64 | 51% | 0.506 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 147.3 | 179.5 | 30.2 | -36.9 | 0 | 0 | 0 | 111.8 | E213 | E213-P216 HydrophobicContact CB-CB 4.21Å; E213-P216 VanDerWaalsContact OE2-CB 3.27Å; E213-P216 WeakPolarHBondContact OE2-CB 3.48Å |
| 217 | Y | 90.5 | Very high | 90.1 | Very high | 22 Ų | 22 | 62.8 Ų | 62.8 | 9% | 0.086 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -88.5 | 165.8 | 174.1 | -57.8 | -26.4 | 0 | 0 | 0 | 111.3 | A136 T137 D139 V219 K273 I276 | A136-Y217 HydrophobicContact CB-CE2 4.31Å; A136-Y217 WeakPolarHBondContact O-CD2 2.95Å; T137-Y217 PolarHBondContact O-N 3.27Å; D139-Y217 WeakPolarHBondContact OD1-CE1 3.47Å; D139-Y217 VanDerWaalsContact OD1-CZ 3.27Å; D139-Y217 PolarHBondContact OD1-OH 3.34Å; Y217-V219 PolarHBondContact O-N 3.12Å; Y217-K273 HydrophobicContact CE2-CD 4.39Å; Y217-K273 PolarHBondContact OH-NZ 3.41Å; Y217-I276 HydrophobicContact CD2-CD1 4.2Å; Y217-I276 HydrophobicContact CD2-CG1 4.02Å; Y217-I276 HydrophobicContact CD2-CG2 3.87Å; Y217-I276 HydrophobicContact CE1-CG2 4.42Å; Y217-I276 HydrophobicContact CE2-CB 4.16Å; Y217-I276 HydrophobicContact CE2-CG1 3.95Å; Y217-I276 HydrophobicContact CE2-CG2 3.64Å; Y217-I276 HydrophobicContact CG-CG2 4.34Å |
| 218 | E | 88.9 | Confident | 89.9 | Confident | 136 Ų | 136 | 58.1 Ų | 58.1 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -67 | 125.2 | 176.8 | -174.5 | 177 | 175 | 0 | 0 | 110.7 | A220 L221 V222 | E218-A220 HydrophobicContact CG-CB 4.34Å; E218-A220 PolarHBondContact O-N 3.16Å; E218-A220 VanDerWaalsContact O-N 3.09Å; E218-L221 HydrophobicContact CB-CB 4.25Å; E218-L221 WeakPolarHBondContact O-CA 3.44Å; E218-L221 VanDerWaalsContact O-CB 3.31Å; E218-L221 WeakPolarHBondContact O-CB 3.29Å; E218-L221 PolarHBondContact O-N 3.31Å; E218-V222 WeakPolarHBondContact O-CG2 3.37Å; E218-V222 PolarHBondContact O-N 3.25Å |
| 219 | V | 87.5 | Confident | 89.7 | Confident | 89 Ų | 89 | 57.2 Ų | 57.2 | 54% | 0.539 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -50.8 | -39.7 | -177.5 | 177.5 | 0 | 0 | 0 | 0 | 112.7 | Y217 L221 V222 H223 | Y217-V219 PolarHBondContact O-N 3.12Å; V219-L221 VanDerWaalsContact C-N 3.35Å; V219-L221 PolarHBondContact O-N 3.26Å; V219-V222 PolarHBondContact O-N 2.92Å; V219-H223 PolarHBondContact O-CD2 2.87Å; V219-H223 PolarHBondContact O-N 3.28Å |
| 220 | A | 85.1 | Confident | 89.5 | Confident | 48 Ų | 48 | 57.9 Ų | 57.9 | 40% | 0.397 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E218 W224 | E218-A220 HydrophobicContact CG-CB 4.34Å; E218-A220 PolarHBondContact O-N 3.16Å; E218-A220 VanDerWaalsContact O-N 3.09Å; A220-W224 WeakPolarHBondContact O-CB 3.39Å; A220-W224 PolarHBondContact O-N 3.48Å |
| 221 | L | 85.5 | Confident | 89.4 | Confident | 27 Ų | 27 | 52.4 Ų | 52.4 | 14% | 0.141 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68 | -43.1 | 176.4 | -178.5 | 66.1 | 0 | 0 | 0 | 111 | E218 V219 H223 W224 E225 I276 V279 | E218-L221 HydrophobicContact CB-CB 4.25Å; E218-L221 WeakPolarHBondContact O-CA 3.44Å; E218-L221 VanDerWaalsContact O-CB 3.31Å; E218-L221 WeakPolarHBondContact O-CB 3.29Å; E218-L221 PolarHBondContact O-N 3.31Å; V219-L221 VanDerWaalsContact C-N 3.35Å; V219-L221 PolarHBondContact O-N 3.26Å; L221-H223 PolarHBondContact O-N 3.14Å; L221-W224 PolarHBondContact O-N 3.06Å; L221-W224 VanDerWaalsContact O-N 3.17Å; L221-E225 HydrophobicContact CD1-CG 3.74Å; L221-E225 HydrophobicContact CG-CG 4.36Å; L221-E225 WeakPolarHBondContact O-CB 3.47Å; L221-E225 PolarHBondContact O-N 3.41Å; L221-I276 HydrophobicContact CD1-CD1 4.41Å; L221-I276 HydrophobicContact CD2-CD1 3.8Å; L221-I276 HydrophobicContact CD2-CG2 4.26Å; L221-I276 HydrophobicContact CG-CD1 3.66Å; L221-V279 HydrophobicContact CD1-CB 4.26Å; L221-V279 HydrophobicContact CD1-CG1 3.88Å; L221-V279 HydrophobicContact CD1-CG2 4.15Å |
| 222 | V | 86 | Confident | 89.3 | Confident | 11 Ų | 11 | 47.7 Ų | 47.7 | 7% | 0.067 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.9 | -49.4 | 178.3 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | F135 A136 T137 E218 V219 W224 N226 | F135-V222 HydrophobicContact CB-CG1 4.23Å; F135-V222 HydrophobicContact CD1-CG1 4.08Å; A136-V222 WeakPolarHBondContact O-CG2 3.39Å; T137-V222 HydrophobicContact CG2-CG1 3.86Å; E218-V222 WeakPolarHBondContact O-CG2 3.37Å; E218-V222 PolarHBondContact O-N 3.25Å; V219-V222 PolarHBondContact O-N 2.92Å; V222-W224 VanDerWaalsContact C-N 3.34Å; V222-N226 PolarHBondContact O-N 3.09Å |
| 223 | H | 85.8 | Confident | 89 | Confident | 99 Ų | 99 | 49 Ų | 49 | 46% | 0.458 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.9 | -32.7 | 177.6 | -73.9 | -62.6 | 0 | 0 | 0 | 112.6 | F135 V219 L221 N226 | F135-H223 AromaticContact CE1-ND1 3.86Å; V219-H223 PolarHBondContact O-CD2 2.87Å; V219-H223 PolarHBondContact O-N 3.28Å; L221-H223 PolarHBondContact O-N 3.14Å; H223-N226 PolarHBondContact O-OD1 3.39Å; H223-N226 VanDerWaalsContact O-OD1 3.12Å |
| 224 | W | 82.4 | Confident | 88.5 | Confident | 126 Ų | 126 | 48.4 Ų | 48.4 | 48% | 0.477 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -72.7 | -34.8 | -178.8 | -174.4 | -88.4 | 0 | 0 | 0 | 112.9 | G109 R117 A220 L221 V222 | G109-W224 VanDerWaalsContact CA-NE1 3.3Å; R117-W224 VanDerWaalsContact CZ-O 3.27Å; R117-W224 PolarHBondContact NH1-O 2.93Å; R117-W224 PolarHBondContact NH2-O 3.06Å; A220-W224 WeakPolarHBondContact O-CB 3.39Å; A220-W224 PolarHBondContact O-N 3.48Å; L221-W224 PolarHBondContact O-N 3.06Å; L221-W224 VanDerWaalsContact O-N 3.17Å; V222-W224 VanDerWaalsContact C-N 3.34Å |
| 225 | E | 85.1 | Confident | 87.9 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 1% | 0.014 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -96.8 | 8.8 | -178.7 | -63.5 | -57.9 | 153.9 | 0 | 0 | 113.8 | P110 L221 A275 I276 V279 | P110-E225 VanDerWaalsContact CD-OE1 3.22Å; P110-E225 WeakPolarHBondContact CD-OE1 3.42Å; L221-E225 HydrophobicContact CD1-CG 3.74Å; L221-E225 HydrophobicContact CG-CG 4.36Å; L221-E225 WeakPolarHBondContact O-CB 3.47Å; L221-E225 PolarHBondContact O-N 3.41Å; E225-A275 HydrophobicContact CB-CB 4.17Å; E225-A275 HydrophobicContact CG-CB 4.38Å; E225-I276 HydrophobicContact CB-CD1 4.01Å; E225-I276 HydrophobicContact CG-CD1 4.15Å; E225-V279 HydrophobicContact CG-CG2 4.46Å |
| 226 | N | 88.1 | Confident | 87.6 | Confident | 24 Ų | 24 | 52.4 Ų | 52.4 | 13% | 0.128 | 29% | 0.287 | C | S | . | . | trans | -59.9 | 150.7 | 176.4 | 81.3 | -31.8 | 0 | 0 | 0 | 112 | R117 A134 F135 V222 H223 | R117-N226 PolarHBondContact NH2-O 3.16Å; R117-N226 PolarHBondContact NH2-OD1 3.27Å; A134-N226 WeakPolarHBondContact O-CA 3.43Å; F135-N226 HydrophobicContact CD1-CB 3.59Å; F135-N226 HydrophobicContact CE1-CB 3.52Å; F135-N226 HydrophobicContact CG-CB 4.44Å; F135-N226 HydrophobicContact CZ-CB 4.34Å; V222-N226 PolarHBondContact O-N 3.09Å; H223-N226 PolarHBondContact O-OD1 3.39Å; H223-N226 VanDerWaalsContact O-OD1 3.12Å | ||
| 227 | E | 88.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 130.5 | 176 | -71.5 | -77.4 | -174.3 | 0 | 0 | 109 | Q114 S116 I133 A134 L267 A271 V272 | Q114-E227 VanDerWaalsContact CG-OE1 3.29Å; Q114-E227 WeakPolarHBondContact CG-OE1 3.19Å; Q114-E227 PolarHBondContact NE2-OE1 2.52Å; S116-E227 WeakPolarHBondContact CB-OE2 3.42Å; S116-E227 PolarHBondContact OG-OE2 3.41Å; I133-E227 CarbonylContact C-O 3.59Å; I133-E227 WeakPolarHBondContact CA-O 3.33Å; A134-E227 HydrophobicContact CB-CB 4.46Å; A134-E227 PolarHBondContact N-O 3.05Å; A134-E227 PolarHBondContact O-N 3.15Å; E227-L267 HydrophobicContact CB-CD2 4.45Å; E227-A271 HydrophobicContact CG-CB 3.95Å; E227-V272 HydrophobicContact CB-CG2 3.82Å; E227-V272 HydrophobicContact CG-CG2 3.65Å |
| 228 | E | 89.1 | Confident | 87.3 | Confident | 75 Ų | 75 | 55.1 Ų | 55.1 | 35% | 0.35 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125.7 | -177.3 | 177.5 | 173.2 | 178.4 | 0 | 0 | 109 | S116 Q131 C132 I133 | S116-E228 WeakPolarHBondContact CB-O 3.31Å; Q131-E228 VanDerWaalsContact CD-OE1 3.23Å; Q131-E228 PolarHBondContact NE2-OE1 2.58Å; C132-E228 WeakPolarHBondContact O-CA 3.29Å; I133-E228 HydrophobicContact CG1-CB 4.22Å; I133-E228 HydrophobicContact CG1-CG 3.87Å |
| 229 | I | 89.8 | Confident | 87.3 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 130.5 | 178.4 | -64.6 | -177.5 | 0 | 0 | 0 | 108.8 | C132 G243 F245 L267 F351 | C132-I229 WeakPolarHBondContact CB-O 3.26Å; C132-I229 PolarHBondContact N-O 2.64Å; C132-I229 PolarHBondContact O-N 3.07Å; I229-G243 WeakPolarHBondContact CG2-O 3.19Å; I229-F245 HydrophobicContact CB-CD2 4.29Å; I229-F245 HydrophobicContact CB-CE2 3.81Å; I229-F245 HydrophobicContact CB-CZ 4.18Å; I229-F245 HydrophobicContact CD1-CE1 4.15Å; I229-F245 HydrophobicContact CD1-CE2 4.03Å; I229-F245 HydrophobicContact CD1-CZ 3.52Å; I229-F245 HydrophobicContact CG1-CZ 4.43Å; I229-F245 HydrophobicContact CG2-CD1 4.23Å; I229-F245 HydrophobicContact CG2-CD2 3.6Å; I229-F245 HydrophobicContact CG2-CE1 4.14Å; I229-F245 HydrophobicContact CG2-CE2 3.51Å; I229-F245 HydrophobicContact CG2-CG 3.98Å; I229-F245 HydrophobicContact CG2-CZ 3.8Å; I229-L267 HydrophobicContact CD1-CD1 4.48Å; I229-L267 HydrophobicContact CD1-CD2 3.58Å; I229-L267 HydrophobicContact CG1-CD2 4.4Å; I229-F351 HydrophobicContact CD1-CE1 4.2Å |
| 230 | N | 91.1 | Very high | 87.4 | Confident | 14 Ų | 14 | 49.7 Ų | 49.7 | 8% | 0.075 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 147.9 | 175.2 | -73.5 | -19.4 | 0 | 0 | 0 | 110.6 | P121 D126 M129 M130 N244 F245 | P121-N230 WeakPolarHBondContact CD-ND2 3.37Å; P121-N230 WeakPolarHBondContact CG-ND2 3.27Å; D126-N230 PolarHBondContact OD1-ND2 3.38Å; M129-N230 HydrophobicContact CB-CB 4.07Å; M129-N230 HydrophobicContact CE-CB 4.42Å; M129-N230 HydrophobicContact CG-CB 4.45Å; M129-N230 HydrophobicContact SD-CB 3.81Å; M130-N230 CarbonylContact O-C 3.55Å; M130-N230 WeakPolarHBondContact O-CA 3.05Å; N230-N244 CarbonylContact O-C 3.41Å; N230-N244 VanDerWaalsContact O-CA 3.24Å; N230-N244 WeakPolarHBondContact O-CA 3.32Å; N230-N244 WeakPolarHBondContact O-CB 3.49Å; N230-F245 PolarHBondContact O-N 2.96Å |
| 231 | Y | 91.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 158.6 | 176.1 | 79.4 | -87 | 0 | 0 | 0 | 113.6 | M130 C132 D180 W195 N196 F245 L247 | M130-Y231 HydrophobicContact CB-CD1 3.73Å; M130-Y231 HydrophobicContact CB-CD2 4.19Å; M130-Y231 HydrophobicContact CB-CE1 3.34Å; M130-Y231 HydrophobicContact CB-CE2 3.85Å; M130-Y231 HydrophobicContact CB-CG 4.14Å; M130-Y231 VanDerWaalsContact CB-CZ 3.44Å; M130-Y231 HydrophobicContact CE-CD2 4.05Å; M130-Y231 HydrophobicContact CE-CE2 3.69Å; M130-Y231 HydrophobicContact CG-CE2 4.49Å; M130-Y231 PolarHBondContact N-O 2.95Å; M130-Y231 WeakPolarHBondContact O-CD1 3.39Å; M130-Y231 PolarHBondContact O-N 3.4Å; M130-Y231 HydrophobicContact SD-CE2 3.85Å; C132-Y231 HydrophobicContact CB-CD1 4.22Å; D180-Y231 HydrophobicContact CB-CE2 4.46Å; D180-Y231 WeakPolarHBondContact OD2-CE2 3.41Å; D180-Y231 PolarHBondContact OD2-OH 3.25Å; W195-Y231 AromaticContact CE3-CD1 3.98Å; W195-Y231 HydrophobicContact CE3-CD1 3.98Å; W195-Y231 AromaticContact CE3-CE1 3.6Å; W195-Y231 HydrophobicContact CE3-CE1 3.6Å; W195-Y231 HydrophobicContact CE3-CE2 4.24Å; W195-Y231 HydrophobicContact CE3-CG 4.42Å; W195-Y231 AromaticContact CE3-CZ 3.72Å; W195-Y231 AromaticContact CZ3-CD1 4Å; W195-Y231 HydrophobicContact CZ3-CD1 4Å; W195-Y231 HydrophobicContact CZ3-CD2 4.34Å; W195-Y231 HydrophobicContact CZ3-CE1 4.09Å; W195-Y231 HydrophobicContact CZ3-CE2 4.43Å; W195-Y231 HydrophobicContact CZ3-CG 4.1Å; N196-Y231 VanDerWaalsContact CB-OH 3.3Å; N196-Y231 WeakPolarHBondContact CB-OH 3.2Å; Y231-F245 CarbonylContact C-O 3.57Å; Y231-F245 WeakPolarHBondContact CA-O 3.41Å; Y231-F245 VanDerWaalsContact CB-O 3.25Å; Y231-F245 WeakPolarHBondContact CB-O 3.45Å; Y231-L247 HydrophobicContact CD2-CD1 3.69Å; Y231-L247 HydrophobicContact CD2-CG 4.05Å; Y231-L247 HydrophobicContact CE2-CD1 3.63Å; Y231-L247 HydrophobicContact CE2-CG 4.47Å |
| 232 | T | 91.1 | Very high | 87.1 | Confident | 50 Ų | 50 | 60.3 Ų | 60.3 | 31% | 0.307 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 158 | 173.2 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | M129 F245 I246 L247 | M129-T232 HydrophobicContact CG-CG2 3.62Å; T232-F245 PolarHBondContact N-O 3.3Å; T232-I246 WeakPolarHBondContact O-CA 3.06Å; T232-L247 PolarHBondContact O-N 2.55Å |
| 233 | V | 89.2 | Confident | 86.9 | Confident | 54 Ų | 54 | 60.1 Ų | 60.1 | 33% | 0.327 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 133.1 | 167.5 | 178.3 | 0 | 0 | 0 | 0 | 107.3 | M130 D180 L247 | M130-V233 HydrophobicContact CE-CB 4.45Å; M130-V233 HydrophobicContact CE-CG2 3.79Å; D180-V233 HydrophobicContact CB-CG2 4.43Å; V233-L247 CarbonylContact C-O 3.54Å; V233-L247 WeakPolarHBondContact CA-O 3.15Å; V233-L247 HydrophobicContact CG2-CB 4.26Å |
| 234 | G | 85.5 | Confident | 87 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 24% | 0.237 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | -179.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L247 Y249 | G234-L247 PolarHBondContact N-O 3.15Å; G234-Y249 PolarHBondContact O-N 2.82Å; G234-Y249 VanDerWaalsContact O-N 3.08Å |
| 235 | E | 80.5 | Confident | 87.4 | Confident | 175 Ų | 175 | 51.1 Ų | 51.1 | 82% | 0.818 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -77 | 140.1 | 178.4 | -67 | -176.9 | 178.4 | 0 | 0 | 112.1 | Y249 | E235-Y249 HydrophobicContact CG-CD1 4.33Å; E235-Y249 HydrophobicContact CG-CE1 4.4Å |
| 236 | G | 84.2 | Confident | 87.7 | Confident | 44 Ų | 44 | 52.6 Ų | 52.6 | 45% | 0.454 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 101.1 | -168.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S248 | G236-S248 WeakPolarHBondContact O-CB 3.21Å; G236-S248 PolarHBondContact O-OG 2.83Å |
| 237 | N | 86.1 | Confident | 87.8 | Confident | 143 Ų | 143 | 51.8 Ų | 51.8 | 77% | 0.765 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -78.6 | 147.3 | -175.8 | -63 | -9.7 | 0 | 0 | 0 | 111.7 | K239 | N237-K239 PolarHBondContact O-N 2.97Š|
| 238 | T | 90.9 | Very high | 87.8 | Confident | 13 Ų | 13 | 52.7 Ų | 52.7 | 8% | 0.08 | 27% | 0.273 | C | S | . | . | trans | -58 | 132.9 | 174.9 | -66.2 | 0 | 0 | 0 | 0 | 111.6 | I246 L247 S248 E259 F263 L344 | T238-I246 CarbonylContact C-O 3.59Å; T238-I246 WeakPolarHBondContact CA-O 3.3Å; T238-L247 HydrophobicContact CG2-CD2 3.86Å; T238-S248 PolarHBondContact OG1-N 2.84Å; T238-E259 VanDerWaalsContact CB-CD 3.49Å; T238-E259 WeakPolarHBondContact CB-OE1 3.28Å; T238-E259 WeakPolarHBondContact CB-OE2 3.42Å; T238-E259 HydrophobicContact CG2-CB 4.38Å; T238-E259 VanDerWaalsContact OG1-CD 3.28Å; T238-E259 PolarHBondContact OG1-OE1 3.07Å; T238-E259 PolarHBondContact OG1-OE2 2.86Å; T238-F263 HydrophobicContact CG2-CE2 3.46Å; T238-F263 VanDerWaalsContact CG2-CE2 3.46Å; T238-F263 HydrophobicContact CG2-CZ 3.77Å; T238-L344 HydrophobicContact CG2-CD1 3.8Å; T238-L344 HydrophobicContact CG2-CD2 4.08Å; T238-L344 WeakPolarHBondContact O-CD2 3.49Å | ||
| 239 | K | 90.6 | Very high | 87.3 | Confident | 82 Ų | 82 | 56.2 Ų | 56.2 | 36% | 0.357 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 158.1 | -176 | 57.6 | 177.4 | 168.1 | 156.5 | 0 | 112.3 | N237 E241 I246 | N237-K239 PolarHBondContact O-N 2.97Å; K239-E241 WeakPolarHBondContact CE-OE2 3.45Å; K239-E241 IonicContact NZ-OE2 2.8Å; K239-E241 PolarHBondContact NZ-OE2 3.12Å; K239-I246 HydrophobicContact CG-CB 4.07Å; K239-I246 HydrophobicContact CG-CD1 4.3Å; K239-I246 PolarHBondContact N-O 3.09Å; K239-I246 PolarHBondContact O-N 3.44Å |
| 240 | L | 88.4 | Confident | 86.8 | Confident | 29 Ų | 29 | 61.7 Ų | 61.7 | 15% | 0.152 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 116.3 | 166.8 | 174.8 | 59.4 | 0 | 0 | 0 | 108.6 | N244 F245 F263 F351 | L240-N244 WeakPolarHBondContact CD1-O 3.36Å; L240-F245 HydrophobicContact CB-CD1 4.38Å; L240-F245 HydrophobicContact CD1-CD1 3.65Å; L240-F245 HydrophobicContact CD1-CE1 3.79Å; L240-F245 HydrophobicContact CD2-CE1 4.43Å; L240-F245 HydrophobicContact CG-CD1 4.48Å; L240-F263 HydrophobicContact CB-CE1 4.46Å; L240-F351 HydrophobicContact CD2-CB 3.44Å; L240-F351 VanDerWaalsContact CD2-CB 3.44Å; L240-F351 HydrophobicContact CD2-CD1 4.1Å; L240-F351 HydrophobicContact CD2-CD2 4.5Å; L240-F351 HydrophobicContact CD2-CG 3.77Å |
| 241 | E | 85.1 | Confident | 86.2 | Confident | 79 Ų | 79 | 63.9 Ų | 63.9 | 37% | 0.369 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 126 | -178.6 | -176.2 | 165.2 | -159.8 | 0 | 0 | 110.4 | K239 G243 N244 I246 | K239-E241 WeakPolarHBondContact CE-OE2 3.45Å; K239-E241 IonicContact NZ-OE2 2.8Å; K239-E241 PolarHBondContact NZ-OE2 3.12Å; E241-G243 PolarHBondContact O-N 3.47Å; E241-N244 PolarHBondContact N-O 2.97Å; E241-N244 PolarHBondContact O-N 2.56Å; E241-I246 HydrophobicContact CB-CD1 3.83Å |
| 242 | R | 80.3 | Confident | 85.9 | Confident | 220 Ų | 220 | 68.5 Ų | 68.5 | 83% | 0.83 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 24.8 | 179.2 | -58.8 | 177 | -174 | -158.9 | 1.2 | 114.9 | ||
| 243 | G | 81.4 | Confident | 85.6 | Confident | 6 Ų | 6 | 73.1 Ų | 73.1 | 6% | 0.062 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | 5.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | I229 E241 | I229-G243 WeakPolarHBondContact CG2-O 3.19Å; E241-G243 PolarHBondContact O-N 3.47Å |
| 244 | N | 87.6 | Confident | 85.5 | Confident | 36 Ų | 36 | 77.7 Ų | 77.7 | 19% | 0.193 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 144.7 | 172.6 | -60.1 | -33.9 | 0 | 0 | 0 | 110.4 | N230 L240 E241 | N230-N244 CarbonylContact O-C 3.41Å; N230-N244 VanDerWaalsContact O-CA 3.24Å; N230-N244 WeakPolarHBondContact O-CA 3.32Å; N230-N244 WeakPolarHBondContact O-CB 3.49Å; L240-N244 WeakPolarHBondContact CD1-O 3.36Å; E241-N244 PolarHBondContact N-O 2.97Å; E241-N244 PolarHBondContact O-N 2.56Å |
| 245 | F | 90.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 137 | 170 | -51.2 | -47.9 | 0 | 0 | 0 | 109.8 | C132 W195 I229 N230 Y231 T232 L240 F263 L267 T348 | C132-F245 HydrophobicContact CB-CD2 4.42Å; C132-F245 HydrophobicContact CB-CE2 4.29Å; W195-F245 AromaticContact CH2-CD2 3.61Å; W195-F245 HydrophobicContact CH2-CD2 3.61Å; W195-F245 AromaticContact CH2-CE2 3.91Å; W195-F245 HydrophobicContact CH2-CE2 3.91Å; W195-F245 HydrophobicContact CH2-CG 4.47Å; W195-F245 HydrophobicContact CZ2-CE2 4.46Å; W195-F245 HydrophobicContact CZ3-CD2 4.06Å; I229-F245 HydrophobicContact CB-CD2 4.29Å; I229-F245 HydrophobicContact CB-CE2 3.81Å; I229-F245 HydrophobicContact CB-CZ 4.18Å; I229-F245 HydrophobicContact CD1-CE1 4.15Å; I229-F245 HydrophobicContact CD1-CE2 4.03Å; I229-F245 HydrophobicContact CD1-CZ 3.52Å; I229-F245 HydrophobicContact CG1-CZ 4.43Å; I229-F245 HydrophobicContact CG2-CD1 4.23Å; I229-F245 HydrophobicContact CG2-CD2 3.6Å; I229-F245 HydrophobicContact CG2-CE1 4.14Å; I229-F245 HydrophobicContact CG2-CE2 3.51Å; I229-F245 HydrophobicContact CG2-CG 3.98Å; I229-F245 HydrophobicContact CG2-CZ 3.8Å; N230-F245 PolarHBondContact O-N 2.96Å; Y231-F245 CarbonylContact C-O 3.57Å; Y231-F245 WeakPolarHBondContact CA-O 3.41Å; Y231-F245 VanDerWaalsContact CB-O 3.25Å; Y231-F245 WeakPolarHBondContact CB-O 3.45Å; T232-F245 PolarHBondContact N-O 3.3Å; L240-F245 HydrophobicContact CB-CD1 4.38Å; L240-F245 HydrophobicContact CD1-CD1 3.65Å; L240-F245 HydrophobicContact CD1-CE1 3.79Å; L240-F245 HydrophobicContact CD2-CE1 4.43Å; L240-F245 HydrophobicContact CG-CD1 4.48Å; F245-F263 AromaticContact CD1-CD1 3.56Å; F245-F263 HydrophobicContact CD1-CD1 3.56Å; F245-F263 AromaticContact CD1-CE1 3.49Å; F245-F263 HydrophobicContact CD1-CE1 3.49Å; F245-F263 VanDerWaalsContact CD1-CE1 3.49Å; F245-F263 HydrophobicContact CD1-CG 4.14Å; F245-F263 AromaticContact CD1-CZ 3.98Å; F245-F263 HydrophobicContact CD1-CZ 3.98Å; F245-F263 HydrophobicContact CD2-CG 4.47Å; F245-F263 HydrophobicContact CE1-CB 4.46Å; F245-F263 AromaticContact CE1-CD1 3.31Å; F245-F263 HydrophobicContact CE1-CD1 3.31Å; F245-F263 AromaticContact CE1-CE1 3.64Å; F245-F263 HydrophobicContact CE1-CE1 3.64Å; F245-F263 HydrophobicContact CE1-CG 4.02Å; F245-F263 HydrophobicContact CE2-CB 4.17Å; F245-F263 HydrophobicContact CE2-CD1 4.41Å; F245-F263 HydrophobicContact CE2-CG 4.34Å; F245-F263 HydrophobicContact CG-CD1 4.23Å; F245-F263 HydrophobicContact CG-CE1 4.28Å; F245-F263 HydrophobicContact CG-CG 4.37Å; F245-F263 HydrophobicContact CG-CZ 4.43Å; F245-F263 HydrophobicContact CZ-CB 4.07Å; F245-F263 AromaticContact CZ-CD1 3.77Å; F245-F263 HydrophobicContact CZ-CD1 3.77Å; F245-F263 HydrophobicContact CZ-CG 4.11Å; F245-L267 HydrophobicContact CE2-CD1 3.98Å; F245-L267 HydrophobicContact CZ-CD1 4.03Å; F245-T348 HydrophobicContact CE1-CG2 4.18Å; F245-T348 HydrophobicContact CZ-CG2 4.24Å |
| 246 | I | 90.8 | Very high | 86.1 | Confident | 34 Ų | 34 | 73.1 Ų | 73.1 | 17% | 0.174 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 111.2 | 171.8 | -58.6 | 172.1 | 0 | 0 | 0 | 105.1 | T232 T238 K239 E241 | T232-I246 WeakPolarHBondContact O-CA 3.06Å; T238-I246 CarbonylContact C-O 3.59Å; T238-I246 WeakPolarHBondContact CA-O 3.3Å; K239-I246 HydrophobicContact CG-CB 4.07Å; K239-I246 HydrophobicContact CG-CD1 4.3Å; K239-I246 PolarHBondContact N-O 3.09Å; K239-I246 PolarHBondContact O-N 3.44Å; E241-I246 HydrophobicContact CB-CD1 3.83Å |
| 247 | L | 90.6 | Very high | 86.5 | Confident | 8 Ų | 8 | 71.8 Ų | 71.8 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 143.1 | 177 | -57.7 | -176.4 | 0 | 0 | 0 | 109.6 | W195 Y231 T232 V233 G234 T238 K260 F263 | W195-L247 HydrophobicContact CZ3-CD1 4.17Å; Y231-L247 HydrophobicContact CD2-CD1 3.69Å; Y231-L247 HydrophobicContact CD2-CG 4.05Å; Y231-L247 HydrophobicContact CE2-CD1 3.63Å; Y231-L247 HydrophobicContact CE2-CG 4.47Å; T232-L247 PolarHBondContact O-N 2.55Å; V233-L247 CarbonylContact C-O 3.54Å; V233-L247 WeakPolarHBondContact CA-O 3.15Å; V233-L247 HydrophobicContact CG2-CB 4.26Å; G234-L247 PolarHBondContact N-O 3.15Å; T238-L247 HydrophobicContact CG2-CD2 3.86Å; L247-K260 HydrophobicContact CD1-CD 4.43Å; L247-K260 VanDerWaalsContact CD1-CE 3.48Å; L247-K260 HydrophobicContact CD1-CG 4.15Å; L247-F263 HydrophobicContact CD2-CD2 4.31Å; L247-F263 HydrophobicContact CD2-CE2 3.88Å |
| 248 | S | 88.6 | Confident | 86.8 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 139.4 | 174.6 | -170 | 0 | 0 | 0 | 0 | 111.6 | G236 T238 | G236-S248 WeakPolarHBondContact O-CB 3.21Å; G236-S248 PolarHBondContact O-OG 2.83Å; T238-S248 PolarHBondContact OG1-N 2.84Å |
| 249 | Y | 79.3 | Confident | 86.9 | Confident | 149 Ų | 149 | 66.1 Ų | 66.1 | 58% | 0.584 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -80.5 | -25.1 | 175.1 | 104.2 | -88.3 | 0 | 0 | 0 | 113.6 | G234 E235 M251 | G234-Y249 PolarHBondContact O-N 2.82Å; G234-Y249 VanDerWaalsContact O-N 3.08Å; E235-Y249 HydrophobicContact CG-CD1 4.33Å; E235-Y249 HydrophobicContact CG-CE1 4.4Å; Y249-M251 PolarHBondContact O-N 2.9Å |
| 250 | D | 78.1 | Confident | 87 | Confident | 119 Ų | 119 | 62.6 Ų | 62.6 | 64% | 0.636 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -101.5 | 45.7 | -167.5 | -163.8 | 19.7 | 0 | 0 | 0 | 111.9 | ||
| 251 | M | 79 | Confident | 87.3 | Confident | 60 Ų | 60 | 61.6 Ų | 61.6 | 30% | 0.296 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -121.7 | 148.8 | -174.7 | -61.6 | -59.8 | -67.3 | 0 | 0 | 111.6 | Y249 E255 | Y249-M251 PolarHBondContact O-N 2.9Å; M251-E255 HydrophobicContact CE-CB 4.04Å; M251-E255 HydrophobicContact CE-CG 3.45Å; M251-E255 VanDerWaalsContact CE-CG 3.45Å; M251-E255 WeakPolarHBondContact CE-OE2 3Å |
| 252 | D | 85.9 | Confident | 87.6 | Confident | 96 Ų | 96 | 57.8 Ų | 57.8 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | trans | -61.8 | 146.8 | 169.7 | -177.6 | 67 | 0 | 0 | 0 | 110.5 | Q254 E255 A256 | D252-Q254 PolarHBondContact O-N 3.29Å; D252-Q254 VanDerWaalsContact OD2-CB 3.31Å; D252-Q254 WeakPolarHBondContact OD2-CB 3.48Å; D252-Q254 PolarHBondContact OD2-N 2.9Å; D252-E255 PolarHBondContact O-N 3.49Å; D252-E255 VanDerWaalsContact O-N 3.08Å; D252-A256 PolarHBondContact O-N 2.87Å | ||
| 253 | Q | 84.2 | Confident | 88.2 | Confident | 148 Ų | 148 | 47.3 Ų | 47.3 | 69% | 0.692 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -57.1 | -36.5 | -178.2 | -71.6 | -174.8 | -38.4 | 0 | 0 | 112.3 | V257 | Q253-V257 VanDerWaalsContact O-CG2 3.3Å; Q253-V257 WeakPolarHBondContact O-CG2 3.4Å; Q253-V257 PolarHBondContact O-N 2.86Å; Q253-V257 VanDerWaalsContact O-N 3.11Å |
| 254 | Q | 86.9 | Confident | 88.8 | Confident | 150 Ų | 150 | 47 Ų | 47 | 70% | 0.701 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -68.7 | -41.2 | 178.7 | -62.6 | -175.4 | -26.7 | 0 | 0 | 111.5 | D252 V257 L258 | D252-Q254 PolarHBondContact O-N 3.29Å; D252-Q254 VanDerWaalsContact OD2-CB 3.31Å; D252-Q254 WeakPolarHBondContact OD2-CB 3.48Å; D252-Q254 PolarHBondContact OD2-N 2.9Å; Q254-V257 PolarHBondContact O-N 2.82Å; Q254-L258 WeakPolarHBondContact O-CG 3.36Å; Q254-L258 PolarHBondContact O-N 2.85Å |
| 255 | E | 88.6 | Confident | 89 | Confident | 75 Ų | 75 | 45.8 Ų | 45.8 | 35% | 0.35 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68.3 | -40.1 | 179.1 | -164.7 | 161.5 | -165.1 | 0 | 0 | 111.3 | M251 D252 V257 L258 E259 | M251-E255 HydrophobicContact CE-CB 4.04Å; M251-E255 HydrophobicContact CE-CG 3.45Å; M251-E255 VanDerWaalsContact CE-CG 3.45Å; M251-E255 WeakPolarHBondContact CE-OE2 3Å; D252-E255 PolarHBondContact O-N 3.49Å; D252-E255 VanDerWaalsContact O-N 3.08Å; E255-V257 VanDerWaalsContact C-N 3.33Å; E255-V257 PolarHBondContact O-N 2.67Å; E255-L258 PolarHBondContact O-N 3.41Å; E255-L258 VanDerWaalsContact O-N 3.1Å; E255-E259 WeakPolarHBondContact O-CG 3.22Å; E255-E259 PolarHBondContact O-N 2.81Å |
| 256 | A | 90 | Very high | 88.9 | Confident | 26 Ų | 26 | 45.8 Ų | 45.8 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.6 | -40.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D252 E259 K260 | D252-A256 PolarHBondContact O-N 2.87Å; A256-E259 PolarHBondContact O-N 3.47Å; A256-K260 WeakPolarHBondContact O-CG 3.36Å; A256-K260 PolarHBondContact O-N 3.41Å |
| 257 | V | 92.7 | Very high | 88.8 | Confident | 16 Ų | 16 | 44.1 Ų | 44.1 | 10% | 0.097 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.8 | -39.8 | 174.5 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L160 V169 L183 F185 Q253 Q254 E255 K260 F261 | L160-V257 HydrophobicContact CD2-CG1 3.98Å; V169-V257 HydrophobicContact CG1-CG1 4.45Å; L183-V257 HydrophobicContact CD1-CG2 4.11Å; F185-V257 HydrophobicContact CE1-CG1 4.39Å; F185-V257 HydrophobicContact CZ-CG1 4.35Å; Q253-V257 VanDerWaalsContact O-CG2 3.3Å; Q253-V257 WeakPolarHBondContact O-CG2 3.4Å; Q253-V257 PolarHBondContact O-N 2.86Å; Q253-V257 VanDerWaalsContact O-N 3.11Å; Q254-V257 PolarHBondContact O-N 2.82Å; E255-V257 VanDerWaalsContact C-N 3.33Å; E255-V257 PolarHBondContact O-N 2.67Å; V257-K260 PolarHBondContact O-N 3.19Å; V257-F261 VanDerWaalsContact O-CB 3.32Å; V257-F261 WeakPolarHBondContact O-CB 3.18Å; V257-F261 PolarHBondContact O-N 2.68Å |
| 258 | L | 92.9 | Very high | 88.5 | Confident | 20 Ų | 20 | 43.8 Ų | 43.8 | 11% | 0.105 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.5 | -35.7 | 178.3 | -70 | -178.5 | 0 | 0 | 0 | 113.1 | L160 P161 Q254 E255 F261 A262 F334 L341 | L160-L258 HydrophobicContact CD2-CD2 4.09Å; P161-L258 HydrophobicContact CG-CD2 4.24Å; Q254-L258 WeakPolarHBondContact O-CG 3.36Å; Q254-L258 PolarHBondContact O-N 2.85Å; E255-L258 PolarHBondContact O-N 3.41Å; E255-L258 VanDerWaalsContact O-N 3.1Å; L258-F261 WeakPolarHBondContact O-CB 3.42Å; L258-F261 PolarHBondContact O-N 3.25Å; L258-A262 PolarHBondContact O-N 2.82Å; L258-F334 HydrophobicContact CD2-CZ 4.01Å; L258-L341 HydrophobicContact CB-CD1 3.99Å; L258-L341 HydrophobicContact CB-CD2 4.34Å |
| 259 | E | 92.8 | Very high | 87.7 | Confident | 17 Ų | 17 | 43.5 Ų | 43.5 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.8 | -46.5 | 172.9 | -69.7 | -173.3 | 149.3 | 0 | 0 | 111.4 | T238 E255 A256 F261 A262 F263 L341 L344 | T238-E259 VanDerWaalsContact CB-CD 3.49Å; T238-E259 WeakPolarHBondContact CB-OE1 3.28Å; T238-E259 WeakPolarHBondContact CB-OE2 3.42Å; T238-E259 HydrophobicContact CG2-CB 4.38Å; T238-E259 VanDerWaalsContact OG1-CD 3.28Å; T238-E259 PolarHBondContact OG1-OE1 3.07Å; T238-E259 PolarHBondContact OG1-OE2 2.86Å; E255-E259 WeakPolarHBondContact O-CG 3.22Å; E255-E259 PolarHBondContact O-N 2.81Å; A256-E259 PolarHBondContact O-N 3.47Å; E259-F261 PolarHBondContact O-N 3.12Å; E259-A262 WeakPolarHBondContact O-CB 3.32Å; E259-A262 PolarHBondContact O-N 3Å; E259-F263 WeakPolarHBondContact O-CD2 3.3Å; E259-F263 PolarHBondContact O-N 3.32Å; E259-F263 VanDerWaalsContact O-N 3.14Å; E259-L341 HydrophobicContact CB-CD2 4.45Å; E259-L341 HydrophobicContact CG-CD2 3.83Å; E259-L344 HydrophobicContact CB-CD1 4.08Å; E259-L344 HydrophobicContact CG-CD1 3.89Å |
| 260 | K | 94 | Very high | 87.3 | Confident | 8 Ų | 8 | 36.6 Ų | 36.6 | 4% | 0.035 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.3 | -37.2 | 172.7 | -71.9 | 174.4 | -175.5 | 169.4 | 0 | 111.6 | D180 L183 F185 W195 L247 A256 V257 S264 | D180-K260 IonicContact OD1-NZ 2.7Å; D180-K260 PolarHBondContact OD1-NZ 2.95Å; D180-K260 VanDerWaalsContact OD2-CE 3.23Å; D180-K260 WeakPolarHBondContact OD2-CE 3.43Å; D180-K260 IonicContact OD2-NZ 2.82Å; D180-K260 PolarHBondContact OD2-NZ 3.43Å; L183-K260 HydrophobicContact CD1-CD 3.61Å; F185-K260 HydrophobicContact CE2-CB 3.98Å; F185-K260 HydrophobicContact CZ-CB 3.87Å; W195-K260 HydrophobicContact CD2-CB 4.35Å; W195-K260 HydrophobicContact CD2-CD 4.31Å; W195-K260 HydrophobicContact CD2-CG 4.14Å; W195-K260 HydrophobicContact CE3-CD 4.3Å; W195-K260 HydrophobicContact CE3-CG 4.06Å; W195-K260 HydrophobicContact CH2-CG 4.3Å; W195-K260 HydrophobicContact CZ2-CB 4.16Å; W195-K260 HydrophobicContact CZ2-CG 4.36Å; W195-K260 HydrophobicContact CZ3-CG 4.15Å; L247-K260 HydrophobicContact CD1-CD 4.43Å; L247-K260 VanDerWaalsContact CD1-CE 3.48Å; L247-K260 HydrophobicContact CD1-CG 4.15Å; A256-K260 WeakPolarHBondContact O-CG 3.36Å; A256-K260 PolarHBondContact O-N 3.41Å; V257-K260 PolarHBondContact O-N 3.19Å; K260-S264 VanDerWaalsContact O-CB 3.26Å; K260-S264 WeakPolarHBondContact O-CB 3.35Å; K260-S264 PolarHBondContact O-N 2.9Å; K260-S264 PolarHBondContact O-OG 3.01Å |
| 261 | F | 93.3 | Very high | 87.3 | Confident | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.4 | -45.4 | 172.6 | 171 | -93 | 0 | 0 | 0 | 111.5 | L160 A164 V167 F185 F187 V257 L258 E259 F263 S264 N265 F334 | L160-F261 HydrophobicContact CD1-CD2 3.97Å; L160-F261 HydrophobicContact CD1-CE2 4.13Å; A164-F261 HydrophobicContact CB-CE2 4.4Å; A164-F261 HydrophobicContact CB-CZ 4.2Å; V167-F261 HydrophobicContact CB-CE2 3.85Å; V167-F261 HydrophobicContact CG1-CD2 4.2Å; V167-F261 HydrophobicContact CG1-CE2 3.99Å; V167-F261 HydrophobicContact CG2-CE2 3.6Å; V167-F261 HydrophobicContact CG2-CZ 4.34Å; F185-F261 HydrophobicContact CD1-CB 4.47Å; F185-F261 HydrophobicContact CD1-CD2 4.21Å; F185-F261 HydrophobicContact CE1-CB 3.83Å; F185-F261 HydrophobicContact CE1-CD2 4.28Å; F185-F261 HydrophobicContact CZ-CB 4.4Å; F187-F261 HydrophobicContact CE1-CE2 4.36Å; V257-F261 VanDerWaalsContact O-CB 3.32Å; V257-F261 WeakPolarHBondContact O-CB 3.18Å; V257-F261 PolarHBondContact O-N 2.68Å; L258-F261 WeakPolarHBondContact O-CB 3.42Å; L258-F261 PolarHBondContact O-N 3.25Å; E259-F261 PolarHBondContact O-N 3.12Å; F261-F263 PolarHBondContact O-N 3.14Å; F261-S264 PolarHBondContact O-N 3.01Å; F261-N265 VanDerWaalsContact O-CB 3.23Å; F261-N265 WeakPolarHBondContact O-CB 3.47Å; F261-N265 PolarHBondContact O-N 3Å; F261-F334 HydrophobicContact CD1-CD1 4.43Å; F261-F334 AromaticContact CD1-CE1 3.87Å; F261-F334 HydrophobicContact CD1-CE1 3.87Å; F261-F334 HydrophobicContact CD1-CZ 4.34Å; F261-F334 AromaticContact CE1-CD1 3.74Å; F261-F334 HydrophobicContact CE1-CD1 3.74Å; F261-F334 AromaticContact CE1-CE1 3.6Å; F261-F334 HydrophobicContact CE1-CE1 3.6Å; F261-F334 HydrophobicContact CE1-CG 4.38Å; F261-F334 HydrophobicContact CE1-CZ 4.14Å |
| 262 | A | 92.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.4 | -45 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L258 E259 A266 Y335 L341 L344 | L258-A262 PolarHBondContact O-N 2.82Å; E259-A262 WeakPolarHBondContact O-CB 3.32Å; E259-A262 PolarHBondContact O-N 3Å; A262-A266 PolarHBondContact O-N 3.38Å; A262-Y335 HydrophobicContact CB-CE1 4.03Å; A262-L341 HydrophobicContact CB-CB 4.26Å; A262-L341 HydrophobicContact CB-CD2 4.37Å; A262-L344 HydrophobicContact CB-CB 4.36Å |
| 263 | F | 93.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.8 | -45.8 | 173.3 | -69.8 | -59.7 | 0 | 0 | 0 | 112.5 | W195 T238 L240 F245 L247 E259 F261 N265 A266 L267 L344 T348 | W195-F263 HydrophobicContact CH2-CB 3.87Å; W195-F263 HydrophobicContact CH2-CD2 4.05Å; W195-F263 HydrophobicContact CH2-CG 4.26Å; W195-F263 HydrophobicContact CZ2-CB 3.73Å; T238-F263 HydrophobicContact CG2-CE2 3.46Å; T238-F263 VanDerWaalsContact CG2-CE2 3.46Å; T238-F263 HydrophobicContact CG2-CZ 3.77Å; L240-F263 HydrophobicContact CB-CE1 4.46Å; F245-F263 AromaticContact CD1-CD1 3.56Å; F245-F263 HydrophobicContact CD1-CD1 3.56Å; F245-F263 AromaticContact CD1-CE1 3.49Å; F245-F263 HydrophobicContact CD1-CE1 3.49Å; F245-F263 VanDerWaalsContact CD1-CE1 3.49Å; F245-F263 HydrophobicContact CD1-CG 4.14Å; F245-F263 AromaticContact CD1-CZ 3.98Å; F245-F263 HydrophobicContact CD1-CZ 3.98Å; F245-F263 HydrophobicContact CD2-CG 4.47Å; F245-F263 HydrophobicContact CE1-CB 4.46Å; F245-F263 AromaticContact CE1-CD1 3.31Å; F245-F263 HydrophobicContact CE1-CD1 3.31Å; F245-F263 AromaticContact CE1-CE1 3.64Å; F245-F263 HydrophobicContact CE1-CE1 3.64Å; F245-F263 HydrophobicContact CE1-CG 4.02Å; F245-F263 HydrophobicContact CE2-CB 4.17Å; F245-F263 HydrophobicContact CE2-CD1 4.41Å; F245-F263 HydrophobicContact CE2-CG 4.34Å; F245-F263 HydrophobicContact CG-CD1 4.23Å; F245-F263 HydrophobicContact CG-CE1 4.28Å; F245-F263 HydrophobicContact CG-CG 4.37Å; F245-F263 HydrophobicContact CG-CZ 4.43Å; F245-F263 HydrophobicContact CZ-CB 4.07Å; F245-F263 AromaticContact CZ-CD1 3.77Å; F245-F263 HydrophobicContact CZ-CD1 3.77Å; F245-F263 HydrophobicContact CZ-CG 4.11Å; L247-F263 HydrophobicContact CD2-CD2 4.31Å; L247-F263 HydrophobicContact CD2-CE2 3.88Å; E259-F263 WeakPolarHBondContact O-CD2 3.3Å; E259-F263 PolarHBondContact O-N 3.32Å; E259-F263 VanDerWaalsContact O-N 3.14Å; F261-F263 PolarHBondContact O-N 3.14Å; F263-N265 VanDerWaalsContact C-N 3.31Å; F263-N265 PolarHBondContact O-N 3.01Å; F263-A266 PolarHBondContact O-N 2.9Å; F263-L267 WeakPolarHBondContact O-CG 3.45Å; F263-L267 PolarHBondContact O-N 3.35Å; F263-L344 HydrophobicContact CE1-CB 4.26Å; F263-L344 HydrophobicContact CE1-CD2 4.35Å; F263-L344 HydrophobicContact CE2-CD1 4.21Å; F263-L344 HydrophobicContact CZ-CB 4.27Å; F263-L344 HydrophobicContact CZ-CD1 4.24Å; F263-L344 HydrophobicContact CZ-CD2 3.82Å; F263-L344 HydrophobicContact CZ-CG 4.33Å; F263-T348 HydrophobicContact CD1-CG2 4.41Å; F263-T348 WeakPolarHBondContact CD1-OG1 3.5Å; F263-T348 WeakPolarHBondContact CE1-OG1 3.46Å |
| 264 | S | 93.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.6 | -41.1 | -179.8 | -60.4 | 0 | 0 | 0 | 0 | 112 | F185 W195 K260 F261 L267 C268 | F185-S264 WeakPolarHBondContact CD2-OG 3.38Å; W195-S264 PolarHBondContact NE1-OG 3.38Å; K260-S264 VanDerWaalsContact O-CB 3.26Å; K260-S264 WeakPolarHBondContact O-CB 3.35Å; K260-S264 PolarHBondContact O-N 2.9Å; K260-S264 PolarHBondContact O-OG 3.01Å; F261-S264 PolarHBondContact O-N 3.01Å; S264-L267 PolarHBondContact O-N 2.99Å; S264-C268 VanDerWaalsContact O-CB 3.31Å; S264-C268 WeakPolarHBondContact O-CB 3.03Å; S264-C268 PolarHBondContact O-N 3.27Å |
| 265 | N | 90.8 | Very high | 87.7 | Confident | 9 Ų | 9 | 9.8 Ų | 9.8 | 5% | 0.048 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.7 | -46.4 | 179.1 | -166.3 | 33.1 | 0 | 0 | 0 | 110.5 | F187 F261 F263 L267 C268 L269 Y335 Y345 | F187-N265 HydrophobicContact CE1-CB 3.96Å; F187-N265 WeakPolarHBondContact CE1-OD1 3.22Å; F187-N265 HydrophobicContact CZ-CB 4.22Å; F261-N265 VanDerWaalsContact O-CB 3.23Å; F261-N265 WeakPolarHBondContact O-CB 3.47Å; F261-N265 PolarHBondContact O-N 3Å; F263-N265 VanDerWaalsContact C-N 3.31Å; F263-N265 PolarHBondContact O-N 3.01Å; N265-L267 PolarHBondContact O-N 2.83Å; N265-C268 PolarHBondContact O-N 3.42Å; N265-L269 VanDerWaalsContact O-CB 3.29Å; N265-L269 WeakPolarHBondContact O-CB 3.24Å; N265-L269 PolarHBondContact O-N 3.21Å; N265-L269 WeakPolarHBondContact OD1-CD1 3.25Å; N265-L269 WeakPolarHBondContact OD1-CG 3.5Å; N265-Y335 WeakPolarHBondContact CB-OH 3.42Å; N265-Y335 PolarHBondContact ND2-OH 3.01Å; N265-Y345 HydrophobicContact CB-CD2 4.43Å; N265-Y345 HydrophobicContact CB-CE2 4.36Å |
| 266 | A | 88.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.039 | C | C | . | . | I | π-helix | trans | -60.1 | -42.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A262 F263 S270 Y345 T348 | A262-A266 PolarHBondContact O-N 3.38Å; F263-A266 PolarHBondContact O-N 2.9Å; A266-S270 VanDerWaalsContact O-CB 3.24Å; A266-S270 WeakPolarHBondContact O-CB 3.07Å; A266-S270 PolarHBondContact O-N 3.19Å; A266-Y345 HydrophobicContact CB-CD2 3.72Å; A266-Y345 HydrophobicContact CB-CE2 3.87Å; A266-Y345 HydrophobicContact CB-CG 4.5Å; A266-T348 HydrophobicContact CB-CG2 3.57Å |
| 267 | L | 89 | Confident | 87.4 | Confident | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.032 | C | C | . | . | I | π-helix | trans | -66.6 | -48.2 | 178.8 | -71.7 | 168.5 | 0 | 0 | 0 | 112.8 | A134 E227 I229 F245 F263 S264 N265 A271 V272 L352 | A134-L267 HydrophobicContact CB-CB 4.01Å; E227-L267 HydrophobicContact CB-CD2 4.45Å; I229-L267 HydrophobicContact CD1-CD1 4.48Å; I229-L267 HydrophobicContact CD1-CD2 3.58Å; I229-L267 HydrophobicContact CG1-CD2 4.4Å; F245-L267 HydrophobicContact CE2-CD1 3.98Å; F245-L267 HydrophobicContact CZ-CD1 4.03Å; F263-L267 WeakPolarHBondContact O-CG 3.45Å; F263-L267 PolarHBondContact O-N 3.35Å; S264-L267 PolarHBondContact O-N 2.99Å; N265-L267 PolarHBondContact O-N 2.83Å; L267-A271 WeakPolarHBondContact O-CA 3.2Å; L267-A271 WeakPolarHBondContact O-CB 3.44Å; L267-A271 PolarHBondContact O-N 3.01Å; L267-A271 VanDerWaalsContact O-N 3.12Å; L267-V272 PolarHBondContact O-N 3.4Å; L267-V272 VanDerWaalsContact O-N 3.14Å; L267-L352 HydrophobicContact CD2-CD1 3.83Å; L267-L352 HydrophobicContact CD2-CD2 4.41Å |
| 268 | C | 84.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 3% | 0.032 | C | C | . | . | I | π-helix | trans | -67.1 | -55.1 | -175.5 | -90.6 | 0 | 0 | 0 | 0 | 113.2 | F187 S191 V193 S264 N265 | F187-C268 HydrophobicContact CD1-CB 4.32Å; F187-C268 HydrophobicContact CD2-CB 3.73Å; F187-C268 WeakPolarHBondContact CD2-SG 3.43Å; F187-C268 HydrophobicContact CE1-CB 4.49Å; F187-C268 HydrophobicContact CE2-CB 3.92Å; F187-C268 WeakPolarHBondContact CE2-SG 3.2Å; F187-C268 HydrophobicContact CG-CB 3.95Å; F187-C268 HydrophobicContact CZ-CB 4.31Å; S191-C268 WeakPolarHBondContact CB-SG 3.13Å; S191-C268 PolarHBondContact OG-O 3.13Å; V193-C268 HydrophobicContact CG2-CB 4.46Å; V193-C268 WeakPolarHBondContact CG2-SG 3.48Å; S264-C268 VanDerWaalsContact O-CB 3.31Å; S264-C268 WeakPolarHBondContact O-CB 3.03Å; S264-C268 PolarHBondContact O-N 3.27Å; N265-C268 PolarHBondContact O-N 3.42Å |
| 269 | L | 71.6 | Confident | 87 | Confident | 13 Ų | 13 | 6.6 Ų | 6.6 | 7% | 0.068 | 3% | 0.033 | C | C | . | . | I | π-helix | trans | -74.4 | -43.5 | -170.8 | -72.3 | -169.4 | 0 | 0 | 0 | 110.7 | E189 N265 L328 | E189-L269 HydrophobicContact CB-CD2 3.8Å; E189-L269 HydrophobicContact CG-CD2 3.54Å; N265-L269 VanDerWaalsContact O-CB 3.29Å; N265-L269 WeakPolarHBondContact O-CB 3.24Å; N265-L269 PolarHBondContact O-N 3.21Å; N265-L269 WeakPolarHBondContact OD1-CD1 3.25Å; N265-L269 WeakPolarHBondContact OD1-CG 3.5Å; L269-L328 HydrophobicContact CB-CD1 4.36Å; L269-L328 HydrophobicContact CB-CD2 3.48Å; L269-L328 VanDerWaalsContact CB-CD2 3.48Å; L269-L328 HydrophobicContact CB-CG 3.89Å; L269-L328 HydrophobicContact CD1-CD1 3.83Å; L269-L328 HydrophobicContact CD1-CD2 4.46Å; L269-L328 HydrophobicContact CD1-CG 4.01Å; L269-L328 HydrophobicContact CD2-CD1 4.08Å; L269-L328 HydrophobicContact CD2-CD2 4.26Å; L269-L328 HydrophobicContact CG-CD1 4.31Å; L269-L328 HydrophobicContact CG-CD2 4.26Å; L269-L328 HydrophobicContact CG-CG 4.36Å; L269-L328 WeakPolarHBondContact O-CD2 3.48Å |
| 270 | S | 70.1 | Confident | 86.9 | Confident | 4 Ų | 4 | 6.9 Ų | 6.9 | 3% | 0.028 | 4% | 0.038 | C | C | . | . | I | π-helix | trans | -97.3 | -33.2 | -170.2 | -62.2 | 0 | 0 | 0 | 0 | 114 | A266 L274 I354 | A266-S270 VanDerWaalsContact O-CB 3.24Å; A266-S270 WeakPolarHBondContact O-CB 3.07Å; A266-S270 PolarHBondContact O-N 3.19Å; S270-L274 WeakPolarHBondContact O-CB 3.38Å; S270-I354 VanDerWaalsContact O-CD1 3.25Å; S270-I354 WeakPolarHBondContact O-CD1 3.1Å |
| 271 | A | 78.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 4% | 0.036 | C | C | . | . | I | π-helix | trans | -94.2 | -63.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E227 L267 A275 L352 I354 R357 | E227-A271 HydrophobicContact CG-CB 3.95Å; L267-A271 WeakPolarHBondContact O-CA 3.2Å; L267-A271 WeakPolarHBondContact O-CB 3.44Å; L267-A271 PolarHBondContact O-N 3.01Å; L267-A271 VanDerWaalsContact O-N 3.12Å; A271-A275 PolarHBondContact O-N 2.88Å; A271-A275 VanDerWaalsContact O-N 3.13Å; A271-L352 HydrophobicContact CB-CD1 3.86Å; A271-L352 HydrophobicContact CB-CD2 4.39Å; A271-I354 HydrophobicContact CB-CD1 4.35Å; A271-R357 PolarHBondContact O-NH2 3.33Å |
| 272 | V | 84.9 | Confident | 86.6 | Confident | 1 Ų | 1 | 8.6 Ų | 8.6 | 1% | 0.006 | 5% | 0.048 | C | C | . | . | I | π-helix | trans | -74 | -41 | -169.9 | -166.5 | 0 | 0 | 0 | 0 | 110.7 | A134 A136 E227 L267 A275 I276 | A134-V272 HydrophobicContact CB-CG2 3.68Å; A136-V272 HydrophobicContact CB-CB 4.05Å; A136-V272 HydrophobicContact CB-CG1 3.46Å; A136-V272 VanDerWaalsContact CB-CG1 3.46Å; A136-V272 VanDerWaalsContact N-CG1 3.3Å; E227-V272 HydrophobicContact CB-CG2 3.82Å; E227-V272 HydrophobicContact CG-CG2 3.65Å; L267-V272 PolarHBondContact O-N 3.4Å; L267-V272 VanDerWaalsContact O-N 3.14Å; V272-A275 WeakPolarHBondContact O-CB 3.45Å; V272-A275 PolarHBondContact O-N 2.8Å; V272-I276 WeakPolarHBondContact O-CG1 3.34Å; V272-I276 PolarHBondContact O-N 2.98Å |
| 273 | K | 86.6 | Confident | 86.5 | Confident | 1 Ų | 1 | 13.2 Ų | 13.2 | 0% | 0.004 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65.3 | -43.2 | 176.8 | -80.9 | -63.2 | -177.3 | -164.2 | 0 | 113.9 | A136 A138 E189 G190 S191 Y217 A275 I276 W277 | A136-K273 HydrophobicContact CB-CD 3.84Å; A136-K273 HydrophobicContact CB-CG 4.27Å; A138-K273 PolarHBondContact O-NZ 3.47Å; E189-K273 WeakPolarHBondContact O-CE 3.02Å; E189-K273 PolarHBondContact O-NZ 3.31Å; G190-K273 WeakPolarHBondContact O-CE 3.46Å; G190-K273 PolarHBondContact O-NZ 3.26Å; G190-K273 VanDerWaalsContact O-NZ 3.12Å; S191-K273 VanDerWaalsContact OG-CE 3.28Å; S191-K273 WeakPolarHBondContact OG-CE 3.37Å; S191-K273 WeakPolarHBondContact OG-CG 3.24Å; Y217-K273 HydrophobicContact CE2-CD 4.39Å; Y217-K273 PolarHBondContact OH-NZ 3.41Å; K273-A275 PolarHBondContact O-N 3.32Å; K273-I276 PolarHBondContact O-N 2.84Å; K273-W277 HydrophobicContact CB-CH2 4.02Å; K273-W277 HydrophobicContact CB-CZ2 4.3Å; K273-W277 HydrophobicContact CB-CZ3 4.32Å; K273-W277 HydrophobicContact CD-CZ2 4.34Å; K273-W277 PolarHBondContact O-N 3.2Å; K273-W277 VanDerWaalsContact O-N 3.12Å |
| 274 | L | 85.9 | Confident | 86.4 | Confident | 7 Ų | 7 | 13.6 Ų | 13.6 | 4% | 0.037 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.5 | -38.4 | 176.1 | -174.8 | 59.3 | 0 | 0 | 0 | 111.1 | S270 I276 W277 E278 I354 R357 V358 V361 | S270-L274 WeakPolarHBondContact O-CB 3.38Å; L274-I276 PolarHBondContact O-N 3.36Å; L274-W277 PolarHBondContact O-N 3.12Å; L274-E278 HydrophobicContact CG-CG 4.42Å; L274-E278 WeakPolarHBondContact O-CB 3.47Å; L274-E278 VanDerWaalsContact O-CG 3.27Å; L274-E278 WeakPolarHBondContact O-CG 3.32Å; L274-E278 PolarHBondContact O-N 2.98Å; L274-I354 HydrophobicContact CD2-CG2 4.37Å; L274-R357 HydrophobicContact CD2-CB 3.59Å; L274-V358 HydrophobicContact CD1-CG2 3.91Å; L274-V358 HydrophobicContact CD2-CG2 3.55Å; L274-V358 HydrophobicContact CG-CG2 4.4Å; L274-V361 HydrophobicContact CD1-CG2 4.27Å |
| 275 | A | 86.8 | Confident | 86.3 | Confident | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.9 | -44.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E225 A271 V272 K273 W277 E278 V279 | E225-A275 HydrophobicContact CB-CB 4.17Å; E225-A275 HydrophobicContact CG-CB 4.38Å; A271-A275 PolarHBondContact O-N 2.88Å; A271-A275 VanDerWaalsContact O-N 3.13Å; V272-A275 WeakPolarHBondContact O-CB 3.45Å; V272-A275 PolarHBondContact O-N 2.8Å; K273-A275 PolarHBondContact O-N 3.32Å; A275-W277 VanDerWaalsContact C-N 3.34Å; A275-W277 PolarHBondContact O-N 3.19Å; A275-E278 WeakPolarHBondContact O-CB 3.48Å; A275-E278 PolarHBondContact O-N 3.22Å; A275-V279 WeakPolarHBondContact O-CG2 3.45Å; A275-V279 PolarHBondContact O-N 3.05Å |
| 276 | I | 87.9 | Confident | 86.3 | Confident | 9 Ų | 9 | 20.1 Ų | 20.1 | 5% | 0.046 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 176 | -59.8 | -64.4 | 0 | 0 | 0 | 111.4 | A136 Y217 L221 E225 V272 K273 L274 V279 A280 | A136-I276 HydrophobicContact CB-CG1 4.07Å; Y217-I276 HydrophobicContact CD2-CD1 4.2Å; Y217-I276 HydrophobicContact CD2-CG1 4.02Å; Y217-I276 HydrophobicContact CD2-CG2 3.87Å; Y217-I276 HydrophobicContact CE1-CG2 4.42Å; Y217-I276 HydrophobicContact CE2-CB 4.16Å; Y217-I276 HydrophobicContact CE2-CG1 3.95Å; Y217-I276 HydrophobicContact CE2-CG2 3.64Å; Y217-I276 HydrophobicContact CG-CG2 4.34Å; L221-I276 HydrophobicContact CD1-CD1 4.41Å; L221-I276 HydrophobicContact CD2-CD1 3.8Å; L221-I276 HydrophobicContact CD2-CG2 4.26Å; L221-I276 HydrophobicContact CG-CD1 3.66Å; E225-I276 HydrophobicContact CB-CD1 4.01Å; E225-I276 HydrophobicContact CG-CD1 4.15Å; V272-I276 WeakPolarHBondContact O-CG1 3.34Å; V272-I276 PolarHBondContact O-N 2.98Å; K273-I276 PolarHBondContact O-N 2.84Å; L274-I276 PolarHBondContact O-N 3.36Å; I276-V279 PolarHBondContact O-N 2.71Å; I276-A280 PolarHBondContact O-N 3.26Å |
| 277 | W | 85.6 | Confident | 86.3 | Confident | 20 Ų | 20 | 22.4 Ų | 22.4 | 8% | 0.076 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -72 | -32.5 | 178.8 | -61.8 | -29.8 | 0 | 0 | 0 | 113.4 | K273 L274 A275 V279 A280 L281 I322 R325 | K273-W277 HydrophobicContact CB-CH2 4.02Å; K273-W277 HydrophobicContact CB-CZ2 4.3Å; K273-W277 HydrophobicContact CB-CZ3 4.32Å; K273-W277 HydrophobicContact CD-CZ2 4.34Å; K273-W277 PolarHBondContact O-N 3.2Å; K273-W277 VanDerWaalsContact O-N 3.12Å; L274-W277 PolarHBondContact O-N 3.12Å; A275-W277 VanDerWaalsContact C-N 3.34Å; A275-W277 PolarHBondContact O-N 3.19Å; W277-V279 VanDerWaalsContact C-N 3.32Å; W277-A280 PolarHBondContact O-N 3.27Å; W277-L281 WeakPolarHBondContact O-CB 3.39Å; W277-L281 PolarHBondContact O-N 3.26Å; W277-I322 HydrophobicContact CB-CD1 4.3Å; W277-I322 HydrophobicContact CB-CG1 4.01Å; W277-I322 HydrophobicContact CD2-CG1 4.37Å; W277-I322 HydrophobicContact CE3-CG1 4.3Å; W277-I322 HydrophobicContact CG-CG1 4.27Å; W277-R325 HydrophobicContact CH2-CB 3.37Å; W277-R325 HydrophobicContact CH2-CG 3.25Å; W277-R325 HydrophobicContact CZ2-CB 4.38Å; W277-R325 HydrophobicContact CZ2-CG 3.83Å; W277-R325 HydrophobicContact CZ3-CB 3.54Å; W277-R325 HydrophobicContact CZ3-CG 3.94Å |
| 278 | E | 87.7 | Confident | 86.3 | Confident | 22 Ų | 22 | 22.6 Ų | 22.6 | 10% | 0.103 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.8 | -46.8 | 170.8 | -79.9 | 169.3 | 166.4 | 0 | 0 | 110.4 | L274 A275 L281 D282 R357 V361 | L274-E278 HydrophobicContact CG-CG 4.42Å; L274-E278 WeakPolarHBondContact O-CB 3.47Å; L274-E278 VanDerWaalsContact O-CG 3.27Å; L274-E278 WeakPolarHBondContact O-CG 3.32Å; L274-E278 PolarHBondContact O-N 2.98Å; A275-E278 WeakPolarHBondContact O-CB 3.48Å; A275-E278 PolarHBondContact O-N 3.22Å; E278-L281 PolarHBondContact O-N 3.42Å; E278-D282 WeakPolarHBondContact O-CB 3.33Å; E278-D282 PolarHBondContact O-N 2.95Å; E278-R357 WeakPolarHBondContact OE1-CB 3.31Å; E278-R357 IonicContact OE1-CZ 3.53Å; E278-R357 IonicContact OE1-NE 3.59Å; E278-R357 PolarHBondContact OE1-NE 3.46Å; E278-R357 IonicContact OE1-NH2 2.77Å; E278-R357 IonicContact OE2-CZ 2.73Å; E278-R357 IonicContact OE2-NE 2.78Å; E278-R357 PolarHBondContact OE2-NE 3.28Å; E278-R357 IonicContact OE2-NH2 2.68Å; E278-R357 PolarHBondContact OE2-NH2 3.11Å; E278-V361 HydrophobicContact CG-CG2 3.4Å; E278-V361 VanDerWaalsContact CG-CG2 3.4Å |
| 279 | V | 89.3 | Confident | 86.4 | Confident | 18 Ų | 18 | 27.6 Ų | 27.6 | 11% | 0.109 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 176 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | L221 E225 A275 I276 W277 L281 D282 N283 | L221-V279 HydrophobicContact CD1-CB 4.26Å; L221-V279 HydrophobicContact CD1-CG1 3.88Å; L221-V279 HydrophobicContact CD1-CG2 4.15Å; E225-V279 HydrophobicContact CG-CG2 4.46Å; A275-V279 WeakPolarHBondContact O-CG2 3.45Å; A275-V279 PolarHBondContact O-N 3.05Å; I276-V279 PolarHBondContact O-N 2.71Å; W277-V279 VanDerWaalsContact C-N 3.32Å; V279-L281 VanDerWaalsContact C-N 3.32Å; V279-L281 PolarHBondContact O-N 2.87Å; V279-D282 PolarHBondContact O-N 3.06Å; V279-N283 WeakPolarHBondContact O-CB 3.24Å; V279-N283 VanDerWaalsContact O-CG 3.24Å; V279-N283 PolarHBondContact O-N 2.7Å; V279-N283 PolarHBondContact O-ND2 3.28Å |
| 280 | A | 89 | Confident | 87 | Confident | 23 Ų | 23 | 29.9 Ų | 29.9 | 19% | 0.19 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.3 | -40.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I276 W277 F284 L318 | I276-A280 PolarHBondContact O-N 3.26Å; W277-A280 PolarHBondContact O-N 3.27Å; A280-F284 PolarHBondContact O-N 3.21Å; A280-F284 VanDerWaalsContact O-N 3.09Å; A280-L318 HydrophobicContact CB-CD2 3.87Å |
| 281 | L | 90.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.1 | -43.3 | 175.8 | 180 | 57.6 | 0 | 0 | 0 | 111.9 | W277 E278 V279 N283 F284 V285 V361 K364 L365 | W277-L281 WeakPolarHBondContact O-CB 3.39Å; W277-L281 PolarHBondContact O-N 3.26Å; E278-L281 PolarHBondContact O-N 3.42Å; V279-L281 VanDerWaalsContact C-N 3.32Å; V279-L281 PolarHBondContact O-N 2.87Å; L281-N283 VanDerWaalsContact C-N 3.31Å; L281-N283 PolarHBondContact O-N 2.54Å; L281-F284 WeakPolarHBondContact O-CA 3.37Å; L281-F284 WeakPolarHBondContact O-CB 3.44Å; L281-F284 PolarHBondContact O-N 3.4Å; L281-F284 VanDerWaalsContact O-N 3.09Å; L281-V285 HydrophobicContact CD1-CG2 4.33Å; L281-V285 HydrophobicContact CG-CG2 4.43Å; L281-V285 VanDerWaalsContact O-CG2 3.31Å; L281-V285 WeakPolarHBondContact O-CG2 3.37Å; L281-V285 PolarHBondContact O-N 2.89Å; L281-V361 HydrophobicContact CD2-CB 4.45Å; L281-V361 HydrophobicContact CD2-CG1 3.8Å; L281-K364 HydrophobicContact CD2-CB 3.7Å; L281-K364 HydrophobicContact CD2-CD 4.2Å; L281-K364 HydrophobicContact CG-CB 4.4Å; L281-L365 HydrophobicContact CD1-CD2 3.64Å; L281-L365 HydrophobicContact CD1-CG 4.2Å; L281-L365 HydrophobicContact CD2-CD2 4.25Å; L281-L365 HydrophobicContact CD2-CG 3.94Å |
| 282 | D | 90.9 | Very high | 87.8 | Confident | 53 Ų | 53 | 32.7 Ų | 32.7 | 28% | 0.283 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 177.8 | -79.4 | -15.1 | 0 | 0 | 0 | 111.3 | E278 V279 F284 V285 E286 K364 | E278-D282 WeakPolarHBondContact O-CB 3.33Å; E278-D282 PolarHBondContact O-N 2.95Å; V279-D282 PolarHBondContact O-N 3.06Å; D282-F284 VanDerWaalsContact C-N 3.31Å; D282-F284 PolarHBondContact O-N 2.85Å; D282-V285 PolarHBondContact O-N 3.13Å; D282-E286 WeakPolarHBondContact O-CG 3.5Å; D282-E286 PolarHBondContact O-N 2.82Å; D282-K364 IonicContact OD1-NZ 3.8Å; D282-K364 PolarHBondContact OD1-NZ 3.41Å; D282-K364 IonicContact OD2-NZ 2.68Å |
| 283 | N | 90.8 | Very high | 87.8 | Confident | 97 Ų | 97 | 38.2 Ų | 38.2 | 52% | 0.519 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.2 | -39.7 | 172.1 | -71.8 | -28.8 | 0 | 0 | 0 | 112.1 | V279 L281 S287 | V279-N283 WeakPolarHBondContact O-CB 3.24Å; V279-N283 VanDerWaalsContact O-CG 3.24Å; V279-N283 PolarHBondContact O-N 2.7Å; V279-N283 PolarHBondContact O-ND2 3.28Å; L281-N283 VanDerWaalsContact C-N 3.31Å; L281-N283 PolarHBondContact O-N 2.54Å; N283-S287 PolarHBondContact O-N 3.25Å; N283-S287 VanDerWaalsContact O-N 3.12Å |
| 284 | F | 91.4 | Very high | 87.6 | Confident | 8 Ų | 8 | 40.7 Ų | 40.7 | 4% | 0.035 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.3 | -45.4 | 175.2 | -179.1 | -95.8 | 0 | 0 | 0 | 111.7 | A280 L281 D282 E286 S287 I288 K311 E314 L315 L318 C368 | A280-F284 PolarHBondContact O-N 3.21Å; A280-F284 VanDerWaalsContact O-N 3.09Å; L281-F284 WeakPolarHBondContact O-CA 3.37Å; L281-F284 WeakPolarHBondContact O-CB 3.44Å; L281-F284 PolarHBondContact O-N 3.4Å; L281-F284 VanDerWaalsContact O-N 3.09Å; D282-F284 VanDerWaalsContact C-N 3.31Å; D282-F284 PolarHBondContact O-N 2.85Å; F284-E286 PolarHBondContact O-N 3.41Å; F284-S287 WeakPolarHBondContact O-CA 3.48Å; F284-S287 WeakPolarHBondContact O-CB 3.41Å; F284-S287 PolarHBondContact O-N 3.22Å; F284-S287 PolarHBondContact O-OG 3.41Å; F284-I288 HydrophobicContact CD1-CD1 4.24Å; F284-I288 HydrophobicContact CE1-CD1 3.76Å; F284-I288 HydrophobicContact CE1-CG2 4.09Å; F284-I288 HydrophobicContact CE2-CG2 4.41Å; F284-I288 HydrophobicContact CZ-CG2 3.93Å; F284-I288 PolarHBondContact O-N 3Å; F284-K311 HydrophobicContact CE2-CB 4.44Å; F284-K311 HydrophobicContact CE2-CD 3.92Å; F284-K311 WeakPolarHBondContact CE2-O 3.46Å; F284-E314 HydrophobicContact CD2-CB 4.17Å; F284-E314 HydrophobicContact CE2-CB 3.89Å; F284-L315 HydrophobicContact CD1-CD1 4.21Å; F284-L315 HydrophobicContact CE1-CB 3.97Å; F284-L315 HydrophobicContact CE1-CD1 3.78Å; F284-L315 HydrophobicContact CE1-CD2 4.33Å; F284-L315 HydrophobicContact CE1-CG 4.23Å; F284-L315 HydrophobicContact CE2-CB 4.24Å; F284-L315 HydrophobicContact CZ-CB 3.64Å; F284-L315 HydrophobicContact CZ-CD1 4.36Å; F284-L315 HydrophobicContact CZ-CG 4.38Å; F284-L318 HydrophobicContact CB-CD1 3.7Å; F284-L318 HydrophobicContact CD2-CD1 4.26Å; F284-L318 HydrophobicContact CG-CD1 3.93Å; F284-C368 HydrophobicContact CD1-CB 4.42Å; F284-C368 HydrophobicContact CE1-CB 4.01Å |
| 285 | V | 91.2 | Very high | 87.3 | Confident | 46 Ų | 46 | 44.2 Ų | 44.2 | 28% | 0.279 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58 | -47.6 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | L281 D282 S287 I288 Q289 C368 | L281-V285 HydrophobicContact CD1-CG2 4.33Å; L281-V285 HydrophobicContact CG-CG2 4.43Å; L281-V285 VanDerWaalsContact O-CG2 3.31Å; L281-V285 WeakPolarHBondContact O-CG2 3.37Å; L281-V285 PolarHBondContact O-N 2.89Å; D282-V285 PolarHBondContact O-N 3.13Å; V285-S287 PolarHBondContact O-N 3.14Å; V285-I288 VanDerWaalsContact O-CG1 3.32Å; V285-I288 WeakPolarHBondContact O-CG1 3.38Å; V285-I288 PolarHBondContact O-N 3.37Å; V285-I288 VanDerWaalsContact O-N 3.13Å; V285-Q289 WeakPolarHBondContact O-CB 3.42Å; V285-Q289 PolarHBondContact O-N 3.27Å; V285-C368 VanDerWaalsContact CG2-SG 3.54Å |
| 286 | E | 90.8 | Very high | 87.1 | Confident | 99 Ų | 99 | 53.5 Ų | 53.5 | 46% | 0.463 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.7 | -37.1 | 175.7 | -74.3 | -164.2 | 163.5 | 0 | 0 | 111.2 | K108 D282 F284 I288 | K108-E286 IonicContact NZ-OE1 2.79Å; K108-E286 PolarHBondContact NZ-OE1 3.06Å; K108-E286 IonicContact NZ-OE2 3.87Å; D282-E286 WeakPolarHBondContact O-CG 3.5Å; D282-E286 PolarHBondContact O-N 2.82Å; F284-E286 PolarHBondContact O-N 3.41Å; E286-I288 VanDerWaalsContact C-N 3.32Å; E286-I288 PolarHBondContact O-N 3.08Å |
| 287 | S | 89.5 | Confident | 87 | Confident | 48 Ų | 48 | 55.8 Ų | 55.8 | 34% | 0.336 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.6 | -28.2 | 179.3 | 87.1 | 0 | 0 | 0 | 0 | 114 | N283 F284 V285 K311 | N283-S287 PolarHBondContact O-N 3.25Å; N283-S287 VanDerWaalsContact O-N 3.12Å; F284-S287 WeakPolarHBondContact O-CA 3.48Å; F284-S287 WeakPolarHBondContact O-CB 3.41Å; F284-S287 PolarHBondContact O-N 3.22Å; F284-S287 PolarHBondContact O-OG 3.41Å; V285-S287 PolarHBondContact O-N 3.14Å; S287-K311 PolarHBondContact OG-NZ 3.32Å; S287-K311 VanDerWaalsContact OG-NZ 3.08Å |
| 288 | I | 87.4 | Confident | 86.5 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -101.2 | -12.9 | -179.5 | 68.1 | 177.9 | 0 | 0 | 0 | 113.5 | F284 V285 E286 S290 I291 P292 K311 C368 L371 | F284-I288 HydrophobicContact CD1-CD1 4.24Å; F284-I288 HydrophobicContact CE1-CD1 3.76Å; F284-I288 HydrophobicContact CE1-CG2 4.09Å; F284-I288 HydrophobicContact CE2-CG2 4.41Å; F284-I288 HydrophobicContact CZ-CG2 3.93Å; F284-I288 PolarHBondContact O-N 3Å; V285-I288 VanDerWaalsContact O-CG1 3.32Å; V285-I288 WeakPolarHBondContact O-CG1 3.38Å; V285-I288 PolarHBondContact O-N 3.37Å; V285-I288 VanDerWaalsContact O-N 3.13Å; E286-I288 VanDerWaalsContact C-N 3.32Å; E286-I288 PolarHBondContact O-N 3.08Å; I288-S290 PolarHBondContact O-N 3.1Å; I288-S290 VanDerWaalsContact O-N 3.12Å; I288-I291 HydrophobicContact CB-CD1 4.23Å; I288-I291 WeakPolarHBondContact O-CB 3.42Å; I288-I291 WeakPolarHBondContact O-CG1 3.2Å; I288-I291 PolarHBondContact O-N 3.18Å; I288-P292 WeakPolarHBondContact O-CD 3.35Å; I288-K311 HydrophobicContact CG2-CD 4.28Å; I288-C368 HydrophobicContact CD1-CB 4.13Å; I288-L371 HydrophobicContact CB-CD2 4.29Å; I288-L371 HydrophobicContact CD1-CD2 3.82Å; I288-L371 HydrophobicContact CG1-CD2 4.03Å |
| 289 | Q | 86.9 | Confident | 86 | Confident | 105 Ų | 105 | 65.3 Ų | 65.3 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -33.1 | -174.7 | -174.6 | -175.7 | -30 | 0 | 0 | 113.6 | V285 I291 P292 | V285-Q289 WeakPolarHBondContact O-CB 3.42Å; V285-Q289 PolarHBondContact O-N 3.27Å; Q289-I291 PolarHBondContact O-N 3.24Å; Q289-P292 WeakPolarHBondContact O-CD 3.42Å |
| 290 | S | 83.9 | Confident | 85.1 | Confident | 60 Ų | 60 | 75.1 Ų | 75.1 | 42% | 0.42 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.2 | -20.6 | 179 | 64.5 | 0 | 0 | 0 | 0 | 113.7 | I288 E293 M294 | I288-S290 PolarHBondContact O-N 3.1Å; I288-S290 VanDerWaalsContact O-N 3.12Å; S290-E293 PolarHBondContact O-N 3.38Å; S290-M294 VanDerWaalsContact O-CG 3.31Å; S290-M294 WeakPolarHBondContact O-CG 3.49Å; S290-M294 PolarHBondContact O-N 2.98Å |
| 291 | I | 84 | Confident | 84.3 | Confident | 6 Ų | 6 | 75 Ų | 75 | 3% | 0.031 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -72.4 | -52.2 | -171.8 | -58.1 | 172.5 | 0 | 0 | 0 | 111.5 | I288 Q289 E293 M294 L295 I301 L303 M375 | I288-I291 HydrophobicContact CB-CD1 4.23Å; I288-I291 WeakPolarHBondContact O-CB 3.42Å; I288-I291 WeakPolarHBondContact O-CG1 3.2Å; I288-I291 PolarHBondContact O-N 3.18Å; Q289-I291 PolarHBondContact O-N 3.24Å; I291-E293 PolarHBondContact O-N 2.68Å; I291-M294 PolarHBondContact O-N 2.89Å; I291-L295 HydrophobicContact CG2-CD1 4.36Å; I291-L295 WeakPolarHBondContact O-CG 3.27Å; I291-L295 PolarHBondContact O-N 3.13Å; I291-I301 HydrophobicContact CG2-CD1 3.97Å; I291-L303 HydrophobicContact CD1-CD1 3.53Å; I291-L303 HydrophobicContact CG1-CD1 4Å; I291-M375 HydrophobicContact CD1-CE 3.41Å; I291-M375 VanDerWaalsContact CD1-CE 3.41Å; I291-M375 HydrophobicContact CD1-SD 3.4Å; I291-M375 WeakPolarHBondContact CD1-SD 3.5Å; I291-M375 HydrophobicContact CG2-CG 4.01Å; I291-M375 HydrophobicContact CG2-SD 4.05Å |
| 292 | P | 83.1 | Confident | 83.4 | Confident | 58 Ų | 58 | 84 Ų | 84 | 38% | 0.377 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -53.3 | -39.9 | 170.1 | -27.2 | 32.3 | 0 | 0 | 0 | 113.6 | I288 Q289 L295 K296 L371 | I288-P292 WeakPolarHBondContact O-CD 3.35Å; Q289-P292 WeakPolarHBondContact O-CD 3.42Å; P292-L295 PolarHBondContact O-N 3.21Å; P292-K296 WeakPolarHBondContact O-CB 3.1Å; P292-K296 PolarHBondContact O-N 3.1Å; P292-L371 HydrophobicContact CG-CD1 3.82Å; P292-L371 HydrophobicContact CG-CD2 3.65Å; P292-L371 HydrophobicContact CG-CG 4.43Å |
| 293 | E | 84.5 | Confident | 82.7 | Confident | 116 Ų | 116 | 84.1 Ų | 84.1 | 54% | 0.542 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 179.7 | -65.9 | 179.6 | -178 | 0 | 0 | 112 | S290 I291 K296 S297 | S290-E293 PolarHBondContact O-N 3.38Å; I291-E293 PolarHBondContact O-N 2.68Å; E293-K296 PolarHBondContact O-N 2.98Å; E293-S297 PolarHBondContact O-N 2.84Å |
| 294 | M | 81.4 | Confident | 82.3 | Confident | 53 Ų | 53 | 82.1 Ų | 82.1 | 26% | 0.261 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 173.8 | -75 | -175.8 | 69.4 | 0 | 0 | 111.6 | S290 I291 S297 G298 R299 R300 | S290-M294 VanDerWaalsContact O-CG 3.31Å; S290-M294 WeakPolarHBondContact O-CG 3.49Å; S290-M294 PolarHBondContact O-N 2.98Å; I291-M294 PolarHBondContact O-N 2.89Å; M294-S297 PolarHBondContact O-N 3.09Å; M294-S297 VanDerWaalsContact O-N 3.17Å; M294-S297 PolarHBondContact O-OG 3.07Å; M294-G298 PolarHBondContact O-N 3.36Å; M294-R299 PolarHBondContact O-N 3.48Å; M294-R300 WeakPolarHBondContact CE-O 3.29Å |
| 295 | L | 80.8 | Confident | 81.8 | Confident | 82 Ų | 82 | 84.5 Ų | 84.5 | 43% | 0.429 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 176.8 | -75.8 | 171.8 | 0 | 0 | 0 | 111.9 | I291 P292 S297 G298 I301 | I291-L295 HydrophobicContact CG2-CD1 4.36Å; I291-L295 WeakPolarHBondContact O-CG 3.27Å; I291-L295 PolarHBondContact O-N 3.13Å; P292-L295 PolarHBondContact O-N 3.21Å; L295-S297 PolarHBondContact O-N 3.42Å; L295-G298 PolarHBondContact O-N 2.89Å; L295-I301 HydrophobicContact CD1-CD1 4.19Å; L295-I301 HydrophobicContact CD2-CD1 3.59Å; L295-I301 HydrophobicContact CD2-CG1 4.04Å; L295-I301 HydrophobicContact CG-CD1 3.84Å; L295-I301 HydrophobicContact CG-CG1 4.26Å |
| 296 | K | 83.1 | Confident | 81.6 | Confident | 196 Ų | 196 | 85.7 Ų | 85.7 | 85% | 0.852 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -57.3 | -37.7 | 175.7 | -178.7 | -178.6 | 176.2 | -178.7 | 0 | 112.2 | P292 E293 G298 | P292-K296 WeakPolarHBondContact O-CB 3.1Å; P292-K296 PolarHBondContact O-N 3.1Å; E293-K296 PolarHBondContact O-N 2.98Å; K296-G298 PolarHBondContact O-N 3.17Å |
| 297 | S | 84.4 | Confident | 81.4 | Confident | 56 Ų | 56 | 85.1 Ų | 85.1 | 39% | 0.392 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 2.3 | 178.3 | 70.6 | 0 | 0 | 0 | 0 | 114.5 | E293 M294 L295 R299 | E293-S297 PolarHBondContact O-N 2.84Å; M294-S297 PolarHBondContact O-N 3.09Å; M294-S297 VanDerWaalsContact O-N 3.17Å; M294-S297 PolarHBondContact O-OG 3.07Å; L295-S297 PolarHBondContact O-N 3.42Å; S297-R299 PolarHBondContact O-N 3.04Å; S297-R299 VanDerWaalsContact O-N 3.14Å; S297-R299 WeakPolarHBondContact OG-CG 3.25Å; S297-R299 PolarHBondContact OG-NE 3.45Å |
| 298 | G | 76.7 | Confident | 81.3 | Confident | 69 Ų | 69 | 83.1 Ų | 83.1 | 71% | 0.711 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 10.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | M294 L295 K296 | M294-G298 PolarHBondContact O-N 3.36Å; L295-G298 PolarHBondContact O-N 2.89Å; K296-G298 PolarHBondContact O-N 3.17Å |
| 299 | R | 76.1 | Confident | 81.3 | Confident | 174 Ų | 174 | 88.3 Ų | 88.3 | 66% | 0.657 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 137.3 | -179.6 | -77.7 | -172.2 | -88.9 | -166.6 | -5.9 | 109.8 | M294 S297 I301 | M294-R299 PolarHBondContact O-N 3.48Å; S297-R299 PolarHBondContact O-N 3.04Å; S297-R299 VanDerWaalsContact O-N 3.14Å; S297-R299 WeakPolarHBondContact OG-CG 3.25Å; S297-R299 PolarHBondContact OG-NE 3.45Å; R299-I301 PolarHBondContact O-N 3.33Å |
| 300 | R | 69.9 | Low | 81.5 | Confident | 224 Ų | 224 | 88.3 Ų | 88.3 | 85% | 0.845 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 124.8 | 173.3 | -69.8 | -176.1 | 178.5 | 176.1 | 0.4 | 109.5 | M294 K302 | M294-R300 WeakPolarHBondContact CE-O 3.29Å; R300-K302 PolarHBondContact O-N 2.89Å |
| 301 | I | 72.5 | Confident | 81.7 | Confident | 20 Ų | 20 | 87.9 Ų | 87.9 | 10% | 0.103 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 121.1 | 170.9 | -58.2 | 169.3 | 0 | 0 | 0 | 108.2 | I291 L295 R299 L303 | I291-I301 HydrophobicContact CG2-CD1 3.97Å; L295-I301 HydrophobicContact CD1-CD1 4.19Å; L295-I301 HydrophobicContact CD2-CD1 3.59Å; L295-I301 HydrophobicContact CD2-CG1 4.04Å; L295-I301 HydrophobicContact CG-CD1 3.84Å; L295-I301 HydrophobicContact CG-CG1 4.26Å; R299-I301 PolarHBondContact O-N 3.33Å; I301-L303 HydrophobicContact CG2-CB 3.79Å; I301-L303 HydrophobicContact CG2-CD1 3.8Å; I301-L303 HydrophobicContact CG2-CG 3.71Å; I301-L303 PolarHBondContact O-N 3.12Å |
| 302 | K | 71.3 | Confident | 82.1 | Confident | 189 Ų | 189 | 88.3 Ų | 88.3 | 82% | 0.822 | 45% | 0.45 | S | S | * | . | trans | -90 | 34.9 | 178.2 | -64.8 | -173.2 | 179.9 | -179.2 | 0 | 112.2 | R300 | R300-K302 PolarHBondContact O-N 2.89Š| ||
| 303 | L | 76.4 | Confident | 82.4 | Confident | 56 Ų | 56 | 87.1 Ų | 87.1 | 29% | 0.293 | 45% | 0.448 | S | S | . | . | trans | -98.6 | 131.4 | 175.1 | -65 | 173.5 | 0 | 0 | 0 | 109 | I291 I301 E307 V308 M375 | I291-L303 HydrophobicContact CD1-CD1 3.53Å; I291-L303 HydrophobicContact CG1-CD1 4Å; I301-L303 HydrophobicContact CG2-CB 3.79Å; I301-L303 HydrophobicContact CG2-CD1 3.8Å; I301-L303 HydrophobicContact CG2-CG 3.71Å; I301-L303 PolarHBondContact O-N 3.12Å; L303-E307 HydrophobicContact CD2-CB 4.36Å; L303-V308 HydrophobicContact CB-CG2 3.97Å; L303-V308 HydrophobicContact CD1-CG2 4.4Å; L303-M375 HydrophobicContact CD1-CE 3.78Å | ||
| 304 | S | 82.6 | Confident | 82.8 | Confident | 54 Ų | 54 | 82.5 Ų | 82.5 | 38% | 0.378 | 43% | 0.427 | S | S | . | . | trans | -68.7 | 156.2 | 169.1 | 68.3 | 0 | 0 | 0 | 0 | 110.4 | A306 E307 V308 | S304-A306 PolarHBondContact O-N 2.96Å; S304-E307 WeakPolarHBondContact CB-OE2 3.21Å; S304-E307 PolarHBondContact N-OE2 3.43Å; S304-E307 PolarHBondContact O-N 2.93Å; S304-E307 VanDerWaalsContact OG-CD 3.28Å; S304-E307 VanDerWaalsContact OG-CG 3.24Å; S304-E307 WeakPolarHBondContact OG-CG 3.48Å; S304-E307 PolarHBondContact OG-N 3.29Å; S304-E307 VanDerWaalsContact OG-N 3.17Å; S304-E307 PolarHBondContact OG-OE2 3.34Å; S304-V308 PolarHBondContact O-N 3.39Å; S304-V308 VanDerWaalsContact O-N 3.16Å | ||
| 305 | S | 82.3 | Confident | 83.2 | Confident | 59 Ų | 59 | 80.3 Ų | 80.3 | 41% | 0.413 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60 | -29.5 | 175 | -173.4 | 0 | 0 | 0 | 0 | 112.5 | M309 | S305-M309 WeakPolarHBondContact O-CB 3.26Å; S305-M309 PolarHBondContact O-N 3.29Å; S305-M309 VanDerWaalsContact O-N 3.09Å |
| 306 | A | 86.4 | Confident | 83.6 | Confident | 70 Ų | 70 | 82.3 Ų | 82.3 | 58% | 0.579 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -69 | -44.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S304 V308 M309 Q310 | S304-A306 PolarHBondContact O-N 2.96Å; A306-V308 VanDerWaalsContact C-N 3.34Å; A306-V308 PolarHBondContact O-N 3.48Å; A306-M309 PolarHBondContact O-N 3.41Å; A306-Q310 PolarHBondContact O-N 3.26Å |
| 307 | E | 86.8 | Confident | 83.8 | Confident | 87 Ų | 87 | 74.2 Ų | 74.2 | 41% | 0.407 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 177.3 | -72.8 | 161.4 | 141.9 | 0 | 0 | 111.9 | L303 S304 Q310 K311 | L303-E307 HydrophobicContact CD2-CB 4.36Å; S304-E307 WeakPolarHBondContact CB-OE2 3.21Å; S304-E307 PolarHBondContact N-OE2 3.43Å; S304-E307 PolarHBondContact O-N 2.93Å; S304-E307 VanDerWaalsContact OG-CD 3.28Å; S304-E307 VanDerWaalsContact OG-CG 3.24Å; S304-E307 WeakPolarHBondContact OG-CG 3.48Å; S304-E307 PolarHBondContact OG-N 3.29Å; S304-E307 VanDerWaalsContact OG-N 3.17Å; S304-E307 PolarHBondContact OG-OE2 3.34Å; E307-Q310 PolarHBondContact O-N 3.42Å; E307-K311 WeakPolarHBondContact O-CG 3.37Å; E307-K311 PolarHBondContact O-N 3.01Å |
| 308 | V | 86.7 | Confident | 84 | Confident | 6 Ų | 6 | 72 Ų | 72 | 4% | 0.036 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 174.6 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | L303 S304 A306 Q310 K311 I312 M375 L379 | L303-V308 HydrophobicContact CB-CG2 3.97Å; L303-V308 HydrophobicContact CD1-CG2 4.4Å; S304-V308 PolarHBondContact O-N 3.39Å; S304-V308 VanDerWaalsContact O-N 3.16Å; A306-V308 VanDerWaalsContact C-N 3.34Å; A306-V308 PolarHBondContact O-N 3.48Å; V308-Q310 VanDerWaalsContact C-N 3.31Å; V308-Q310 PolarHBondContact O-N 3.49Å; V308-K311 PolarHBondContact O-N 2.84Å; V308-I312 HydrophobicContact CG1-CD1 3.94Å; V308-I312 VanDerWaalsContact O-CG1 3.28Å; V308-I312 WeakPolarHBondContact O-CG1 3.47Å; V308-I312 PolarHBondContact O-N 2.98Å; V308-M375 HydrophobicContact CB-CE 4.24Å; V308-M375 HydrophobicContact CG1-CB 4Å; V308-M375 HydrophobicContact CG1-CE 4Å; V308-M375 HydrophobicContact CG2-CE 3.62Å; V308-L379 HydrophobicContact CB-CD1 3.59Å; V308-L379 HydrophobicContact CG1-CD1 3.77Å; V308-L379 HydrophobicContact CG2-CD1 3.64Å |
| 309 | M | 87.3 | Confident | 84.4 | Confident | 115 Ų | 115 | 73 Ų | 73 | 57% | 0.567 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.9 | -37 | 176.4 | -167.8 | 67.8 | 106.9 | 0 | 0 | 112.2 | S305 A306 I312 G313 | S305-M309 WeakPolarHBondContact O-CB 3.26Å; S305-M309 PolarHBondContact O-N 3.29Å; S305-M309 VanDerWaalsContact O-N 3.09Å; A306-M309 PolarHBondContact O-N 3.41Å; M309-I312 WeakPolarHBondContact O-CB 3.49Å; M309-I312 PolarHBondContact O-N 3.39Å; M309-I312 HydrophobicContact SD-CD1 4.3Å; M309-G313 PolarHBondContact O-N 3.07Å |
| 310 | Q | 90.4 | Very high | 84.8 | Confident | 105 Ų | 105 | 70 Ų | 70 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 173.8 | -176.8 | -177.1 | -14.5 | 0 | 0 | 111 | A306 E307 V308 I312 G313 E314 | A306-Q310 PolarHBondContact O-N 3.26Å; E307-Q310 PolarHBondContact O-N 3.42Å; V308-Q310 VanDerWaalsContact C-N 3.31Å; V308-Q310 PolarHBondContact O-N 3.49Å; Q310-I312 VanDerWaalsContact C-N 3.32Å; Q310-I312 PolarHBondContact O-N 3.31Å; Q310-G313 PolarHBondContact O-N 2.74Å; Q310-G313 VanDerWaalsContact O-N 3.1Å; Q310-E314 WeakPolarHBondContact CG-OE1 3.43Å; Q310-E314 PolarHBondContact NE2-OE1 2.83Å; Q310-E314 WeakPolarHBondContact O-CG 3.45Å; Q310-E314 PolarHBondContact O-N 2.91Å |
| 311 | K | 89.9 | Confident | 85.3 | Confident | 50 Ų | 50 | 61 Ų | 61 | 22% | 0.217 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.5 | -38 | 177.2 | -69.6 | -73 | 162.1 | -161.2 | 0 | 112.6 | F284 S287 I288 E307 V308 E314 L315 | F284-K311 HydrophobicContact CE2-CB 4.44Å; F284-K311 HydrophobicContact CE2-CD 3.92Å; F284-K311 WeakPolarHBondContact CE2-O 3.46Å; S287-K311 PolarHBondContact OG-NZ 3.32Å; S287-K311 VanDerWaalsContact OG-NZ 3.08Å; I288-K311 HydrophobicContact CG2-CD 4.28Å; E307-K311 WeakPolarHBondContact O-CG 3.37Å; E307-K311 PolarHBondContact O-N 3.01Å; V308-K311 PolarHBondContact O-N 2.84Å; K311-E314 WeakPolarHBondContact CD-OE2 3.31Å; K311-E314 IonicContact NZ-OE1 3.58Å; K311-E314 IonicContact NZ-OE2 4Å; K311-E314 PolarHBondContact NZ-OE2 3.23Å; K311-E314 PolarHBondContact O-N 3.04Å; K311-L315 WeakPolarHBondContact O-CB 3.46Å; K311-L315 PolarHBondContact O-N 3.32Å |
| 312 | I | 90.8 | Very high | 85.7 | Confident | 15 Ų | 15 | 60.2 Ų | 60.2 | 8% | 0.077 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57 | -50.9 | 170.3 | -71.6 | 162.8 | 0 | 0 | 0 | 110.3 | V308 M309 Q310 L315 F316 T372 R376 | V308-I312 HydrophobicContact CG1-CD1 3.94Å; V308-I312 VanDerWaalsContact O-CG1 3.28Å; V308-I312 WeakPolarHBondContact O-CG1 3.47Å; V308-I312 PolarHBondContact O-N 2.98Å; M309-I312 WeakPolarHBondContact O-CB 3.49Å; M309-I312 PolarHBondContact O-N 3.39Å; M309-I312 HydrophobicContact SD-CD1 4.3Å; Q310-I312 VanDerWaalsContact C-N 3.32Å; Q310-I312 PolarHBondContact O-N 3.31Å; I312-L315 PolarHBondContact O-N 2.77Å; I312-F316 HydrophobicContact CG2-CD2 3.51Å; I312-F316 HydrophobicContact CG2-CE2 3.52Å; I312-F316 VanDerWaalsContact O-CD2 3.25Å; I312-F316 WeakPolarHBondContact O-CD2 3.46Å; I312-F316 PolarHBondContact O-N 3.46Å; I312-T372 HydrophobicContact CB-CG2 4.11Å; I312-T372 HydrophobicContact CD1-CG2 4.11Å; I312-T372 HydrophobicContact CG1-CG2 3.1Å; I312-R376 HydrophobicContact CD1-CB 4.32Å; I312-R376 HydrophobicContact CD1-CG 4.49Å |
| 313 | G | 91.4 | Very high | 85.8 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 34% | 0.34 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | M309 Q310 F316 T317 | M309-G313 PolarHBondContact O-N 3.07Å; Q310-G313 PolarHBondContact O-N 2.74Å; Q310-G313 VanDerWaalsContact O-N 3.1Å; G313-F316 PolarHBondContact O-N 3.3Å; G313-T317 WeakPolarHBondContact O-CB 3.4Å; G313-T317 PolarHBondContact O-N 2.87Å; G313-T317 PolarHBondContact O-OG1 2.9Å |
| 314 | E | 91 | Very high | 85.3 | Confident | 19 Ų | 19 | 56.9 Ų | 56.9 | 9% | 0.089 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.7 | -48.7 | 173.6 | -73.2 | 171.3 | -163.7 | 0 | 0 | 110.8 | V89 F284 Q310 K311 T317 L318 | V89-E314 HydrophobicContact CG2-CG 4.25Å; F284-E314 HydrophobicContact CD2-CB 4.17Å; F284-E314 HydrophobicContact CE2-CB 3.89Å; Q310-E314 WeakPolarHBondContact CG-OE1 3.43Å; Q310-E314 PolarHBondContact NE2-OE1 2.83Å; Q310-E314 WeakPolarHBondContact O-CG 3.45Å; Q310-E314 PolarHBondContact O-N 2.91Å; K311-E314 WeakPolarHBondContact CD-OE2 3.31Å; K311-E314 IonicContact NZ-OE1 3.58Å; K311-E314 IonicContact NZ-OE2 4Å; K311-E314 PolarHBondContact NZ-OE2 3.23Å; K311-E314 PolarHBondContact O-N 3.04Å; E314-T317 PolarHBondContact O-N 3.21Å; E314-L318 PolarHBondContact O-N 3.33Å |
| 315 | L | 91.5 | Very high | 84.4 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 178.3 | -179.2 | 59.3 | 0 | 0 | 0 | 112.8 | F284 K311 I312 T317 L318 R319 L365 C368 | F284-L315 HydrophobicContact CD1-CD1 4.21Å; F284-L315 HydrophobicContact CE1-CB 3.97Å; F284-L315 HydrophobicContact CE1-CD1 3.78Å; F284-L315 HydrophobicContact CE1-CD2 4.33Å; F284-L315 HydrophobicContact CE1-CG 4.23Å; F284-L315 HydrophobicContact CE2-CB 4.24Å; F284-L315 HydrophobicContact CZ-CB 3.64Å; F284-L315 HydrophobicContact CZ-CD1 4.36Å; F284-L315 HydrophobicContact CZ-CG 4.38Å; K311-L315 WeakPolarHBondContact O-CB 3.46Å; K311-L315 PolarHBondContact O-N 3.32Å; I312-L315 PolarHBondContact O-N 2.77Å; L315-T317 VanDerWaalsContact C-N 3.27Å; L315-T317 PolarHBondContact O-N 2.8Å; L315-L318 PolarHBondContact O-N 3.33Å; L315-R319 WeakPolarHBondContact O-CB 3.44Å; L315-R319 PolarHBondContact O-N 2.92Å; L315-L365 HydrophobicContact CD1-CD2 3.87Å; L315-C368 HydrophobicContact CD1-CB 3.66Å; L315-C368 HydrophobicContact CD2-CB 3.94Å; L315-C368 HydrophobicContact CG-CB 4.48Å |
| 316 | F | 89.3 | Confident | 83.1 | Confident | 125 Ų | 125 | 55.4 Ų | 55.4 | 55% | 0.548 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.8 | -38 | 176.6 | -90.2 | -69.8 | 0 | 0 | 0 | 111.9 | I312 G313 H320 | I312-F316 HydrophobicContact CG2-CD2 3.51Å; I312-F316 HydrophobicContact CG2-CE2 3.52Å; I312-F316 VanDerWaalsContact O-CD2 3.25Å; I312-F316 WeakPolarHBondContact O-CD2 3.46Å; I312-F316 PolarHBondContact O-N 3.46Å; G313-F316 PolarHBondContact O-N 3.3Å; F316-H320 VanDerWaalsContact O-CB 3.3Å; F316-H320 WeakPolarHBondContact O-CB 3.13Å; F316-H320 PolarHBondContact O-N 2.92Å |
| 317 | T | 87.3 | Confident | 81.7 | Confident | 25 Ų | 25 | 57.6 Ų | 57.6 | 15% | 0.153 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.2 | -47.9 | 176.3 | -55.7 | 0 | 0 | 0 | 0 | 110.6 | V89 G313 E314 L315 R319 H320 C321 | V89-T317 HydrophobicContact CG2-CG2 4.3Å; G313-T317 WeakPolarHBondContact O-CB 3.4Å; G313-T317 PolarHBondContact O-N 2.87Å; G313-T317 PolarHBondContact O-OG1 2.9Å; E314-T317 PolarHBondContact O-N 3.21Å; L315-T317 VanDerWaalsContact C-N 3.27Å; L315-T317 PolarHBondContact O-N 2.8Å; T317-R319 PolarHBondContact O-N 3.49Å; T317-H320 PolarHBondContact O-N 3.25Å; T317-C321 PolarHBondContact O-N 3Å; T317-C321 PolarHBondContact O-SG 2.97Å |
| 318 | L | 87.1 | Confident | 80.1 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 176.5 | -73.5 | 172.4 | 0 | 0 | 0 | 112 | V89 A280 F284 E314 L315 H320 C321 I322 L365 | V89-L318 HydrophobicContact CG1-CD2 4.44Å; A280-L318 HydrophobicContact CB-CD2 3.87Å; F284-L318 HydrophobicContact CB-CD1 3.7Å; F284-L318 HydrophobicContact CD2-CD1 4.26Å; F284-L318 HydrophobicContact CG-CD1 3.93Å; E314-L318 PolarHBondContact O-N 3.33Å; L315-L318 PolarHBondContact O-N 3.33Å; L318-H320 VanDerWaalsContact C-N 3.31Å; L318-H320 PolarHBondContact O-N 3.46Å; L318-C321 PolarHBondContact O-N 3.37Å; L318-I322 WeakPolarHBondContact O-CB 3.45Å; L318-I322 WeakPolarHBondContact O-CG1 3.46Å; L318-I322 PolarHBondContact O-N 2.98Å; L318-L365 HydrophobicContact CB-CD2 4.49Å |
| 319 | R | 86.7 | Confident | 78.6 | Confident | 88 Ų | 88 | 57.5 Ų | 57.5 | 33% | 0.332 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.3 | -41.1 | 176.2 | -177.3 | 175.6 | 176.3 | 161.8 | 2.4 | 111.7 | L315 T317 N323 L365 | L315-R319 WeakPolarHBondContact O-CB 3.44Å; L315-R319 PolarHBondContact O-N 2.92Å; T317-R319 PolarHBondContact O-N 3.49Å; R319-N323 WeakPolarHBondContact O-CB 3.49Å; R319-N323 VanDerWaalsContact O-CG 3.25Å; R319-N323 PolarHBondContact O-N 3.16Å; R319-L365 HydrophobicContact CB-CD2 4.38Å |
| 320 | H | 83.9 | Confident | 77.6 | Confident | 112 Ų | 112 | 57.8 Ų | 57.8 | 52% | 0.519 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.6 | -47 | 176.7 | -178.5 | 66.3 | 0 | 0 | 0 | 111.5 | F316 T317 L318 I322 N323 L324 | F316-H320 VanDerWaalsContact O-CB 3.3Å; F316-H320 WeakPolarHBondContact O-CB 3.13Å; F316-H320 PolarHBondContact O-N 2.92Å; T317-H320 PolarHBondContact O-N 3.25Å; L318-H320 VanDerWaalsContact C-N 3.31Å; L318-H320 PolarHBondContact O-N 3.46Å; H320-I322 VanDerWaalsContact C-N 3.34Å; H320-I322 PolarHBondContact O-N 3.31Å; H320-N323 PolarHBondContact O-N 3.38Å; H320-L324 WeakPolarHBondContact O-CB 3.5Å; H320-L324 PolarHBondContact O-N 3.21Å |
| 321 | C | 79.7 | Confident | 76.8 | Confident | 34 Ų | 34 | 54.4 Ų | 54.4 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 177.9 | -68.2 | 0 | 0 | 0 | 0 | 111.8 | T317 L318 R325 | T317-C321 PolarHBondContact O-N 3Å; T317-C321 PolarHBondContact O-SG 2.97Å; L318-C321 PolarHBondContact O-N 3.37Å; C321-R325 WeakPolarHBondContact O-CB 3.43Å; C321-R325 WeakPolarHBondContact O-CG 3.25Å |
| 322 | I | 80.3 | Confident | 76.3 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.8 | -43.5 | -179.9 | -68.8 | 162.1 | 0 | 0 | 0 | 111.1 | W277 L318 H320 R325 S326 V361 L365 | W277-I322 HydrophobicContact CB-CD1 4.3Å; W277-I322 HydrophobicContact CB-CG1 4.01Å; W277-I322 HydrophobicContact CD2-CG1 4.37Å; W277-I322 HydrophobicContact CE3-CG1 4.3Å; W277-I322 HydrophobicContact CG-CG1 4.27Å; L318-I322 WeakPolarHBondContact O-CB 3.45Å; L318-I322 WeakPolarHBondContact O-CG1 3.46Å; L318-I322 PolarHBondContact O-N 2.98Å; H320-I322 VanDerWaalsContact C-N 3.34Å; H320-I322 PolarHBondContact O-N 3.31Å; I322-R325 CarbonylContact O-C 3.53Å; I322-R325 VanDerWaalsContact O-C 3.28Å; I322-R325 PolarHBondContact O-N 3.49Å; I322-S326 PolarHBondContact O-N 3.44Å; I322-V361 HydrophobicContact CD1-CG1 3.68Å; I322-V361 HydrophobicContact CG1-CG1 4.36Å; I322-V361 HydrophobicContact CG2-CG1 3.93Å; I322-L365 HydrophobicContact CB-CD1 4.13Å; I322-L365 HydrophobicContact CD1-CD1 3.73Å; I322-L365 HydrophobicContact CD1-CD2 4.26Å; I322-L365 HydrophobicContact CD1-CG 4.27Å; I322-L365 HydrophobicContact CG2-CD1 3.98Å |
| 323 | N | 74.7 | Confident | 75.9 | Confident | 61 Ų | 61 | 59.3 Ų | 59.3 | 33% | 0.326 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -75.4 | -38.5 | -177.3 | -73.9 | 3 | 0 | 0 | 0 | 113.7 | R319 H320 R325 S326 | R319-N323 WeakPolarHBondContact O-CB 3.49Å; R319-N323 VanDerWaalsContact O-CG 3.25Å; R319-N323 PolarHBondContact O-N 3.16Å; H320-N323 PolarHBondContact O-N 3.38Å; N323-R325 PolarHBondContact O-N 3.27Å; N323-S326 WeakPolarHBondContact CA-OG 3.34Å; N323-S326 PolarHBondContact O-N 3.03Å; N323-S326 PolarHBondContact O-OG 3.32Å |
| 324 | L | 66.1 | Low | 75.7 | Confident | 113 Ų | 113 | 58.6 Ų | 58.6 | 59% | 0.592 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.9 | -20.3 | 174.5 | -160.7 | 80 | 0 | 0 | 0 | 111.2 | H320 | H320-L324 WeakPolarHBondContact O-CB 3.5Å; H320-L324 PolarHBondContact O-N 3.21Å |
| 325 | R | 62.8 | Low | 75.5 | Confident | 44 Ų | 44 | 57.7 Ų | 57.7 | 17% | 0.166 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 10.5 | 179.7 | -50.9 | -98.5 | -157.9 | 163.8 | 3.3 | 111.5 | D139 W277 C321 I322 N323 L328 | D139-R325 PolarHBondContact O-NH2 3.24Å; W277-R325 HydrophobicContact CH2-CB 3.37Å; W277-R325 HydrophobicContact CH2-CG 3.25Å; W277-R325 HydrophobicContact CZ2-CB 4.38Å; W277-R325 HydrophobicContact CZ2-CG 3.83Å; W277-R325 HydrophobicContact CZ3-CB 3.54Å; W277-R325 HydrophobicContact CZ3-CG 3.94Å; C321-R325 WeakPolarHBondContact O-CB 3.43Å; C321-R325 WeakPolarHBondContact O-CG 3.25Å; I322-R325 CarbonylContact O-C 3.53Å; I322-R325 VanDerWaalsContact O-C 3.28Å; I322-R325 PolarHBondContact O-N 3.49Å; N323-R325 PolarHBondContact O-N 3.27Å; R325-L328 WeakPolarHBondContact O-CB 3.4Å |
| 326 | S | 55.8 | Low | 75.3 | Confident | 38 Ų | 38 | 66.4 Ų | 66.4 | 27% | 0.266 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -22.6 | 169.2 | 65.1 | 0 | 0 | 0 | 0 | 111.8 | I322 N323 L328 L329 | I322-S326 PolarHBondContact O-N 3.44Å; N323-S326 WeakPolarHBondContact CA-OG 3.34Å; N323-S326 PolarHBondContact O-N 3.03Å; N323-S326 PolarHBondContact O-OG 3.32Å; S326-L328 PolarHBondContact O-N 3.33Å; S326-L328 VanDerWaalsContact O-N 3.14Å; S326-L329 WeakPolarHBondContact O-CB 3.44Å; S326-L329 PolarHBondContact O-N 2.77Å |
| 327 | D | 56.5 | Low | 75.2 | Confident | 116 Ų | 116 | 68.2 Ų | 68.2 | 62% | 0.62 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -58.3 | -19 | 163.6 | -76.9 | -7.2 | 0 | 0 | 0 | 111.8 | L329 L330 | D327-L329 PolarHBondContact O-N 3.32Å; D327-L330 WeakPolarHBondContact O-CB 3.47Å; D327-L330 PolarHBondContact O-N 2.77Å |
| 328 | L | 52.4 | Low | 75.3 | Confident | 37 Ų | 37 | 70.8 Ų | 70.8 | 19% | 0.194 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -69.2 | -13.9 | 174.4 | -147.6 | 86.5 | 0 | 0 | 0 | 113.8 | L269 R325 S326 L330 Y345 | L269-L328 HydrophobicContact CB-CD1 4.36Å; L269-L328 HydrophobicContact CB-CD2 3.48Å; L269-L328 VanDerWaalsContact CB-CD2 3.48Å; L269-L328 HydrophobicContact CB-CG 3.89Å; L269-L328 HydrophobicContact CD1-CD1 3.83Å; L269-L328 HydrophobicContact CD1-CD2 4.46Å; L269-L328 HydrophobicContact CD1-CG 4.01Å; L269-L328 HydrophobicContact CD2-CD1 4.08Å; L269-L328 HydrophobicContact CD2-CD2 4.26Å; L269-L328 HydrophobicContact CG-CD1 4.31Å; L269-L328 HydrophobicContact CG-CD2 4.26Å; L269-L328 HydrophobicContact CG-CG 4.36Å; L269-L328 WeakPolarHBondContact O-CD2 3.48Å; R325-L328 WeakPolarHBondContact O-CB 3.4Å; S326-L328 PolarHBondContact O-N 3.33Å; S326-L328 VanDerWaalsContact O-N 3.14Å; L328-L330 VanDerWaalsContact C-N 3.29Å; L328-Y345 PolarHBondContact O-OH 3.03Å |
| 329 | L | 56.6 | Low | 75.3 | Confident | 55 Ų | 55 | 75.9 Ų | 75.9 | 29% | 0.288 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -80.7 | -13.8 | 172.4 | -65.1 | -176.4 | 0 | 0 | 0 | 112.8 | S326 D327 I354 V358 | S326-L329 WeakPolarHBondContact O-CB 3.44Å; S326-L329 PolarHBondContact O-N 2.77Å; D327-L329 PolarHBondContact O-N 3.32Å; L329-I354 HydrophobicContact CD2-CG2 3.41Å; L329-I354 VanDerWaalsContact CD2-CG2 3.41Å; L329-V358 HydrophobicContact CD1-CB 3.92Å; L329-V358 HydrophobicContact CD1-CG1 3.72Å; L329-V358 HydrophobicContact CD1-CG2 3.99Å; L329-V358 HydrophobicContact CD2-CG2 4.02Å; L329-V358 HydrophobicContact CG-CG2 4.4Å |
| 330 | L | 66.1 | Low | 75.5 | Confident | 121 Ų | 121 | 76.2 Ų | 76.2 | 63% | 0.634 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -77.5 | 138.8 | 168.9 | -60.4 | 171.6 | 0 | 0 | 0 | 107.9 | D327 L328 P332 | D327-L330 WeakPolarHBondContact O-CB 3.47Å; D327-L330 PolarHBondContact O-N 2.77Å; L328-L330 VanDerWaalsContact C-N 3.29Å; L330-P332 WeakPolarHBondContact O-CD 3.4Å; L330-P332 VanDerWaalsContact O-N 3.12Å |
| 331 | T | 72.8 | Confident | 75.8 | Confident | 34 Ų | 34 | 71.2 Ų | 71.2 | 21% | 0.209 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 119.4 | 172.2 | -52.2 | 0 | 0 | 0 | 0 | 108.7 | Y335 E342 | T331-Y335 HydrophobicContact CG2-CD2 3.85Å; T331-Y335 HydrophobicContact CG2-CG 4.18Å; T331-E342 HydrophobicContact CG2-CG 3.78Å |
| 332 | P | 79.8 | Confident | 76.4 | Confident | 36 Ų | 36 | 72.4 Ų | 72.4 | 23% | 0.234 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 145.5 | 178.9 | -29.1 | 35.6 | 0 | 0 | 0 | 112.7 | L330 F334 Y335 | L330-P332 WeakPolarHBondContact O-CD 3.4Å; L330-P332 VanDerWaalsContact O-N 3.12Å; P332-F334 PolarHBondContact O-N 3.42Å; P332-Y335 HydrophobicContact CB-CD2 3.89Å; P332-Y335 HydrophobicContact CB-CE2 3.92Å; P332-Y335 HydrophobicContact CG-CD2 4.05Å; P332-Y335 HydrophobicContact CG-CE2 3.76Å; P332-Y335 WeakPolarHBondContact O-CD2 3.48Å; P332-Y335 PolarHBondContact O-N 3Å |
| 333 | D | 82.3 | Confident | 76.9 | Confident | 131 Ų | 131 | 77.3 Ų | 77.3 | 70% | 0.701 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -53.4 | -29.5 | -179.2 | -69.2 | -7.1 | 0 | 0 | 0 | 113.4 | Y335 W336 | D333-Y335 PolarHBondContact O-N 2.95Å; D333-W336 VanDerWaalsContact CA-CD1 3.43Å; D333-W336 WeakPolarHBondContact O-CB 3.36Å; D333-W336 PolarHBondContact O-N 3.12Å; D333-W336 VanDerWaalsContact O-N 3.08Å; D333-W336 PolarHBondContact OD1-NE1 3.18Å |
| 334 | F | 86.3 | Confident | 77.7 | Confident | 18 Ų | 18 | 74.8 Ų | 74.8 | 8% | 0.079 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -49.3 | -32.1 | 173.6 | 176.5 | -97.5 | 0 | 0 | 0 | 114 | P161 D163 A164 L258 F261 P332 L341 | P161-F334 HydrophobicContact CB-CE2 4.43Å; D163-F334 HydrophobicContact CB-CD2 4.03Å; D163-F334 WeakPolarHBondContact OD2-CD2 3.35Å; D163-F334 WeakPolarHBondContact OD2-CE2 3.32Å; A164-F334 HydrophobicContact CB-CD2 4.15Å; A164-F334 HydrophobicContact CB-CE2 4.01Å; L258-F334 HydrophobicContact CD2-CZ 4.01Å; F261-F334 HydrophobicContact CD1-CD1 4.43Å; F261-F334 AromaticContact CD1-CE1 3.87Å; F261-F334 HydrophobicContact CD1-CE1 3.87Å; F261-F334 HydrophobicContact CD1-CZ 4.34Å; F261-F334 AromaticContact CE1-CD1 3.74Å; F261-F334 HydrophobicContact CE1-CD1 3.74Å; F261-F334 AromaticContact CE1-CE1 3.6Å; F261-F334 HydrophobicContact CE1-CE1 3.6Å; F261-F334 HydrophobicContact CE1-CG 4.38Å; F261-F334 HydrophobicContact CE1-CZ 4.14Å; P332-F334 PolarHBondContact O-N 3.42Å; F334-L341 HydrophobicContact CE1-CD1 3.94Å; F334-L341 HydrophobicContact CZ-CD1 4.41Å |
| 335 | Y | 88.6 | Confident | 78.9 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -90.8 | -7.5 | -175.6 | -58 | -70.2 | 0 | 0 | 0 | 114.3 | A262 N265 T331 P332 D333 D337 R338 L341 Y345 | A262-Y335 HydrophobicContact CB-CE1 4.03Å; N265-Y335 WeakPolarHBondContact CB-OH 3.42Å; N265-Y335 PolarHBondContact ND2-OH 3.01Å; T331-Y335 HydrophobicContact CG2-CD2 3.85Å; T331-Y335 HydrophobicContact CG2-CG 4.18Å; P332-Y335 HydrophobicContact CB-CD2 3.89Å; P332-Y335 HydrophobicContact CB-CE2 3.92Å; P332-Y335 HydrophobicContact CG-CD2 4.05Å; P332-Y335 HydrophobicContact CG-CE2 3.76Å; P332-Y335 WeakPolarHBondContact O-CD2 3.48Å; P332-Y335 PolarHBondContact O-N 3Å; D333-Y335 PolarHBondContact O-N 2.95Å; Y335-D337 VanDerWaalsContact C-N 3.26Å; Y335-D337 PolarHBondContact O-N 2.87Å; Y335-R338 CarbonylContact O-C 3.34Å; Y335-R338 WeakPolarHBondContact O-CA 3.36Å; Y335-R338 PolarHBondContact O-N 3.44Å; Y335-L341 HydrophobicContact CD1-CB 3.6Å; Y335-L341 HydrophobicContact CE1-CB 3.81Å; Y335-Y345 HydrophobicContact CE2-CD2 4.02Å; Y335-Y345 HydrophobicContact CE2-CE2 4.46Å; Y335-Y345 HydrophobicContact CE2-CG 4.1Å |
| 336 | W | 86.8 | Confident | 80.1 | Confident | 191 Ų | 191 | 70.9 Ų | 70.9 | 72% | 0.723 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -36.3 | -173.6 | -82.6 | 51.1 | 0 | 0 | 0 | 113.3 | D333 | D333-W336 VanDerWaalsContact CA-CD1 3.43Å; D333-W336 WeakPolarHBondContact O-CB 3.36Å; D333-W336 PolarHBondContact O-N 3.12Å; D333-W336 VanDerWaalsContact O-N 3.08Å; D333-W336 PolarHBondContact OD1-NE1 3.18Å |
| 337 | D | 86.3 | Confident | 81.7 | Confident | 163 Ų | 163 | 74 Ų | 74 | 87% | 0.872 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 4 | 177.8 | -62.9 | -39.3 | 0 | 0 | 0 | 112.6 | Y335 | Y335-D337 VanDerWaalsContact C-N 3.26Å; Y335-D337 PolarHBondContact O-N 2.87Å |
| 338 | R | 89.2 | Confident | 83.3 | Confident | 78 Ų | 78 | 68.5 Ų | 68.5 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | trans | -136.1 | 67.9 | -167.6 | -55.2 | -179.9 | -169.7 | -97.5 | 3.8 | 111.9 | D163 Y335 N340 L341 E342 | D163-R338 IonicContact OD2-NH2 3.95Å; Y335-R338 CarbonylContact O-C 3.34Å; Y335-R338 WeakPolarHBondContact O-CA 3.36Å; Y335-R338 PolarHBondContact O-N 3.44Å; R338-N340 PolarHBondContact O-N 3.22Å; R338-L341 HydrophobicContact CB-CB 4.29Å; R338-L341 HydrophobicContact CB-CD1 4.1Å; R338-L341 HydrophobicContact CB-CG 4.26Å; R338-L341 HydrophobicContact CG-CD1 4.47Å; R338-L341 PolarHBondContact O-N 3.22Å; R338-E342 PolarHBondContact O-N 3.33Å; R338-E342 VanDerWaalsContact O-N 3.11Å | ||
| 339 | E | 88.8 | Confident | 85 | Confident | 118 Ų | 118 | 67.3 Ų | 67.3 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -53.5 | -32.3 | -179 | -66.5 | -171.1 | -166.8 | 0 | 0 | 114.1 | L341 K343 | E339-L341 VanDerWaalsContact C-N 3.34Å; E339-K343 WeakPolarHBondContact O-CD 3.41Å; E339-K343 VanDerWaalsContact O-CG 3.26Å; E339-K343 WeakPolarHBondContact O-CG 3.47Å; E339-K343 PolarHBondContact O-N 3.46Å; E339-K343 IonicContact OE2-NZ 3.03Å; E339-K343 PolarHBondContact OE2-NZ 2.92Å |
| 340 | N | 89.6 | Confident | 86.5 | Confident | 95 Ų | 95 | 71.8 Ų | 71.8 | 51% | 0.508 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.8 | -48.1 | -179.2 | -38.8 | -12.7 | 0 | 0 | 0 | 109.9 | R338 K343 L344 | R338-N340 PolarHBondContact O-N 3.22Å; N340-K343 PolarHBondContact O-N 3.09Å; N340-L344 PolarHBondContact O-N 3.25Å |
| 341 | L | 91.2 | Very high | 87.5 | Confident | 8 Ų | 8 | 68 Ų | 68 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -74.4 | -36.5 | -177.4 | -60.2 | -176.3 | 0 | 0 | 0 | 111.3 | L258 E259 A262 F334 Y335 R338 E339 K343 L344 Y345 | L258-L341 HydrophobicContact CB-CD1 3.99Å; L258-L341 HydrophobicContact CB-CD2 4.34Å; E259-L341 HydrophobicContact CB-CD2 4.45Å; E259-L341 HydrophobicContact CG-CD2 3.83Å; A262-L341 HydrophobicContact CB-CB 4.26Å; A262-L341 HydrophobicContact CB-CD2 4.37Å; F334-L341 HydrophobicContact CE1-CD1 3.94Å; F334-L341 HydrophobicContact CZ-CD1 4.41Å; Y335-L341 HydrophobicContact CD1-CB 3.6Å; Y335-L341 HydrophobicContact CE1-CB 3.81Å; R338-L341 HydrophobicContact CB-CB 4.29Å; R338-L341 HydrophobicContact CB-CD1 4.1Å; R338-L341 HydrophobicContact CB-CG 4.26Å; R338-L341 HydrophobicContact CG-CD1 4.47Å; R338-L341 PolarHBondContact O-N 3.22Å; E339-L341 VanDerWaalsContact C-N 3.34Å; L341-K343 VanDerWaalsContact C-N 3.33Å; L341-K343 PolarHBondContact O-N 2.98Å; L341-L344 PolarHBondContact O-N 2.98Å; L341-Y345 PolarHBondContact O-N 2.78Å |
| 342 | E | 91.2 | Very high | 88.1 | Confident | 59 Ų | 59 | 66.4 Ų | 66.4 | 28% | 0.276 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.7 | -48.7 | 171.7 | -176.5 | 173.3 | -157.8 | 0 | 0 | 111 | T331 R338 L344 Y345 D346 | T331-E342 HydrophobicContact CG2-CG 3.78Å; R338-E342 PolarHBondContact O-N 3.33Å; R338-E342 VanDerWaalsContact O-N 3.11Å; E342-L344 VanDerWaalsContact C-N 3.25Å; E342-L344 PolarHBondContact O-N 3.08Å; E342-Y345 PolarHBondContact O-N 3.09Å; E342-Y345 VanDerWaalsContact O-N 3.17Å; E342-D346 WeakPolarHBondContact O-CB 3.45Å; E342-D346 PolarHBondContact O-N 3.22Å |
| 343 | K | 91.6 | Very high | 88.3 | Confident | 108 Ų | 108 | 67.3 Ų | 67.3 | 47% | 0.47 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.9 | -34.9 | 178.5 | -72.7 | 163.2 | -169.9 | 153.4 | 0 | 112.4 | E339 N340 L341 K347 | E339-K343 WeakPolarHBondContact O-CD 3.41Å; E339-K343 VanDerWaalsContact O-CG 3.26Å; E339-K343 WeakPolarHBondContact O-CG 3.47Å; E339-K343 PolarHBondContact O-N 3.46Å; E339-K343 IonicContact OE2-NZ 3.03Å; E339-K343 PolarHBondContact OE2-NZ 2.92Å; N340-K343 PolarHBondContact O-N 3.09Å; L341-K343 VanDerWaalsContact C-N 3.33Å; L341-K343 PolarHBondContact O-N 2.98Å; K343-K347 WeakPolarHBondContact O-CB 3.28Å; K343-K347 WeakPolarHBondContact O-CG 3.46Å; K343-K347 PolarHBondContact O-N 2.98Å |
| 344 | L | 91.6 | Very high | 88.4 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.8 | -45.2 | 176.1 | -65 | 179.2 | 0 | 0 | 0 | 111.5 | T238 E259 A262 F263 N340 L341 E342 T348 | T238-L344 HydrophobicContact CG2-CD1 3.8Å; T238-L344 HydrophobicContact CG2-CD2 4.08Å; T238-L344 WeakPolarHBondContact O-CD2 3.49Å; E259-L344 HydrophobicContact CB-CD1 4.08Å; E259-L344 HydrophobicContact CG-CD1 3.89Å; A262-L344 HydrophobicContact CB-CB 4.36Å; F263-L344 HydrophobicContact CE1-CB 4.26Å; F263-L344 HydrophobicContact CE1-CD2 4.35Å; F263-L344 HydrophobicContact CE2-CD1 4.21Å; F263-L344 HydrophobicContact CZ-CB 4.27Å; F263-L344 HydrophobicContact CZ-CD1 4.24Å; F263-L344 HydrophobicContact CZ-CD2 3.82Å; F263-L344 HydrophobicContact CZ-CG 4.33Å; N340-L344 PolarHBondContact O-N 3.25Å; L341-L344 PolarHBondContact O-N 2.98Å; E342-L344 VanDerWaalsContact C-N 3.25Å; E342-L344 PolarHBondContact O-N 3.08Å; L344-T348 WeakPolarHBondContact O-CB 3.38Å; L344-T348 PolarHBondContact O-N 3.09Å; L344-T348 PolarHBondContact O-OG1 3.18Å |
| 345 | Y | 90.3 | Very high | 88.2 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58 | -53.6 | 176.4 | 179.8 | -95 | 0 | 0 | 0 | 111.1 | N265 A266 L328 Y335 L341 E342 K347 T348 C349 | N265-Y345 HydrophobicContact CB-CD2 4.43Å; N265-Y345 HydrophobicContact CB-CE2 4.36Å; A266-Y345 HydrophobicContact CB-CD2 3.72Å; A266-Y345 HydrophobicContact CB-CE2 3.87Å; A266-Y345 HydrophobicContact CB-CG 4.5Å; L328-Y345 PolarHBondContact O-OH 3.03Å; Y335-Y345 HydrophobicContact CE2-CD2 4.02Å; Y335-Y345 HydrophobicContact CE2-CE2 4.46Å; Y335-Y345 HydrophobicContact CE2-CG 4.1Å; L341-Y345 PolarHBondContact O-N 2.78Å; E342-Y345 PolarHBondContact O-N 3.09Å; E342-Y345 VanDerWaalsContact O-N 3.17Å; Y345-K347 PolarHBondContact O-N 3.43Å; Y345-T348 WeakPolarHBondContact O-CB 3.49Å; Y345-T348 PolarHBondContact O-N 2.94Å; Y345-C349 PolarHBondContact O-N 3.43Å; Y345-C349 PolarHBondContact O-SG 3.33Å |
| 346 | D | 89 | Confident | 88 | Confident | 70 Ų | 70 | 74 Ų | 74 | 37% | 0.374 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | -177.9 | -77.3 | -9.9 | 0 | 0 | 0 | 112.6 | E342 T348 C349 Q350 | E342-D346 WeakPolarHBondContact O-CB 3.45Å; E342-D346 PolarHBondContact O-N 3.22Å; D346-T348 VanDerWaalsContact C-N 3.26Å; D346-T348 PolarHBondContact O-N 3.29Å; D346-C349 PolarHBondContact O-N 2.84Å; D346-Q350 WeakPolarHBondContact O-CB 3.22Å; D346-Q350 PolarHBondContact O-N 2.85Å |
| 347 | K | 90 | Very high | 87.9 | Confident | 104 Ų | 104 | 66.3 Ų | 66.3 | 45% | 0.452 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.8 | -38.6 | 175.4 | -79.8 | 178.5 | -179 | 178.4 | 0 | 111.6 | K343 Y345 Q350 F351 | K343-K347 WeakPolarHBondContact O-CB 3.28Å; K343-K347 WeakPolarHBondContact O-CG 3.46Å; K343-K347 PolarHBondContact O-N 2.98Å; Y345-K347 PolarHBondContact O-N 3.43Å; K347-Q350 PolarHBondContact O-N 3.14Å; K347-F351 WeakPolarHBondContact O-CB 3.34Å; K347-F351 PolarHBondContact O-N 2.91Å |
| 348 | T | 89.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.6 | -45 | 178.8 | -53.8 | 0 | 0 | 0 | 0 | 110.9 | F245 F263 A266 L344 Y345 D346 Q350 F351 L352 | F245-T348 HydrophobicContact CE1-CG2 4.18Å; F245-T348 HydrophobicContact CZ-CG2 4.24Å; F263-T348 HydrophobicContact CD1-CG2 4.41Å; F263-T348 WeakPolarHBondContact CD1-OG1 3.5Å; F263-T348 WeakPolarHBondContact CE1-OG1 3.46Å; A266-T348 HydrophobicContact CB-CG2 3.57Å; L344-T348 WeakPolarHBondContact O-CB 3.38Å; L344-T348 PolarHBondContact O-N 3.09Å; L344-T348 PolarHBondContact O-OG1 3.18Å; Y345-T348 WeakPolarHBondContact O-CB 3.49Å; Y345-T348 PolarHBondContact O-N 2.94Å; D346-T348 VanDerWaalsContact C-N 3.26Å; D346-T348 PolarHBondContact O-N 3.29Å; T348-Q350 VanDerWaalsContact C-N 3.29Å; T348-Q350 PolarHBondContact O-N 3.23Å; T348-F351 PolarHBondContact O-N 3.23Å; T348-L352 HydrophobicContact CG2-CD1 3.87Å; T348-L352 WeakPolarHBondContact O-CB 3.45Å; T348-L352 WeakPolarHBondContact O-CD1 3.49Å; T348-L352 WeakPolarHBondContact O-CG 3.41Å; T348-L352 PolarHBondContact O-N 2.69Å |
| 349 | C | 87.1 | Confident | 87.6 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 9% | 0.088 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.4 | -37.6 | 173 | -69.9 | 0 | 0 | 0 | 0 | 112.4 | Y345 D346 S353 I354 | Y345-C349 PolarHBondContact O-N 3.43Å; Y345-C349 PolarHBondContact O-SG 3.33Å; D346-C349 PolarHBondContact O-N 2.84Å; C349-S353 PolarHBondContact O-N 2.68Å; C349-I354 HydrophobicContact CB-CG1 4.33Å; C349-I354 WeakPolarHBondContact O-CG1 3.48Å; C349-I354 PolarHBondContact O-N 3.38Å; C349-I354 VanDerWaalsContact O-N 3.14Å |
| 350 | Q | 87.8 | Confident | 87.6 | Confident | 149 Ų | 149 | 57.4 Ų | 57.4 | 70% | 0.696 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -67.1 | -46.4 | 175.3 | -172.5 | 179.4 | 33.7 | 0 | 0 | 111.7 | D346 K347 T348 L352 S353 | D346-Q350 WeakPolarHBondContact O-CB 3.22Å; D346-Q350 PolarHBondContact O-N 2.85Å; K347-Q350 PolarHBondContact O-N 3.14Å; T348-Q350 VanDerWaalsContact C-N 3.29Å; T348-Q350 PolarHBondContact O-N 3.23Å; Q350-L352 VanDerWaalsContact C-N 3.3Å; Q350-L352 PolarHBondContact O-N 3.33Å; Q350-S353 WeakPolarHBondContact O-CA 3.43Å; Q350-S353 PolarHBondContact O-N 3.08Å |
| 351 | F | 87.6 | Confident | 87.5 | Confident | 41 Ų | 41 | 52.9 Ų | 52.9 | 18% | 0.18 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.4 | -43.2 | 177.7 | 171.8 | -106.6 | 0 | 0 | 0 | 112 | P115 I229 L240 K347 T348 S353 | P115-F351 HydrophobicContact CB-CZ 4.48Å; I229-F351 HydrophobicContact CD1-CE1 4.2Å; L240-F351 HydrophobicContact CD2-CB 3.44Å; L240-F351 VanDerWaalsContact CD2-CB 3.44Å; L240-F351 HydrophobicContact CD2-CD1 4.1Å; L240-F351 HydrophobicContact CD2-CD2 4.5Å; L240-F351 HydrophobicContact CD2-CG 3.77Å; K347-F351 WeakPolarHBondContact O-CB 3.34Å; K347-F351 PolarHBondContact O-N 2.91Å; T348-F351 PolarHBondContact O-N 3.23Å; F351-S353 PolarHBondContact O-N 3.42Å |
| 352 | L | 85.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -1.1 | 177.6 | -63.4 | 163.9 | 0 | 0 | 0 | 113.2 | L267 A271 T348 Q350 I354 | L267-L352 HydrophobicContact CD2-CD1 3.83Å; L267-L352 HydrophobicContact CD2-CD2 4.41Å; A271-L352 HydrophobicContact CB-CD1 3.86Å; A271-L352 HydrophobicContact CB-CD2 4.39Å; T348-L352 HydrophobicContact CG2-CD1 3.87Å; T348-L352 WeakPolarHBondContact O-CB 3.45Å; T348-L352 WeakPolarHBondContact O-CD1 3.49Å; T348-L352 WeakPolarHBondContact O-CG 3.41Å; T348-L352 PolarHBondContact O-N 2.69Å; Q350-L352 VanDerWaalsContact C-N 3.3Å; Q350-L352 PolarHBondContact O-N 3.33Å; L352-I354 HydrophobicContact CB-CD1 3.49Å; L352-I354 VanDerWaalsContact CB-CD1 3.49Å; L352-I354 HydrophobicContact CB-CG1 3.78Å; L352-I354 PolarHBondContact O-N 2.87Å |
| 353 | S | 84.9 | Confident | 87.3 | Confident | 55 Ų | 55 | 57.7 Ų | 57.7 | 39% | 0.385 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 36.4 | 178.8 | -63.5 | 0 | 0 | 0 | 0 | 113.6 | C349 Q350 F351 N355 R356 R357 | C349-S353 PolarHBondContact O-N 2.68Å; Q350-S353 WeakPolarHBondContact O-CA 3.43Å; Q350-S353 PolarHBondContact O-N 3.08Å; F351-S353 PolarHBondContact O-N 3.42Å; S353-N355 PolarHBondContact O-N 2.95Å; S353-R356 PolarHBondContact O-N 3.46Å; S353-R357 PolarHBondContact O-N 3.02Å; S353-R357 VanDerWaalsContact O-N 3.1Å |
| 354 | I | 83.3 | Confident | 87.2 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.5 | -48.1 | -171.2 | -58.7 | -54.1 | 0 | 0 | 0 | 111.6 | S270 A271 L274 L329 C349 L352 R356 R357 V358 | S270-I354 VanDerWaalsContact O-CD1 3.25Å; S270-I354 WeakPolarHBondContact O-CD1 3.1Å; A271-I354 HydrophobicContact CB-CD1 4.35Å; L274-I354 HydrophobicContact CD2-CG2 4.37Å; L329-I354 HydrophobicContact CD2-CG2 3.41Å; L329-I354 VanDerWaalsContact CD2-CG2 3.41Å; C349-I354 HydrophobicContact CB-CG1 4.33Å; C349-I354 WeakPolarHBondContact O-CG1 3.48Å; C349-I354 PolarHBondContact O-N 3.38Å; C349-I354 VanDerWaalsContact O-N 3.14Å; L352-I354 HydrophobicContact CB-CD1 3.49Å; L352-I354 VanDerWaalsContact CB-CD1 3.49Å; L352-I354 HydrophobicContact CB-CG1 3.78Å; L352-I354 PolarHBondContact O-N 2.87Å; I354-R356 VanDerWaalsContact C-N 3.27Å; I354-R356 PolarHBondContact O-N 3.47Å; I354-R357 WeakPolarHBondContact O-CB 3.31Å; I354-R357 PolarHBondContact O-N 3.11Å; I354-V358 HydrophobicContact CG2-CG2 4.26Å; I354-V358 WeakPolarHBondContact O-CG2 3.36Å; I354-V358 PolarHBondContact O-N 3.39Å |
| 355 | N | 82.4 | Confident | 87.1 | Confident | 93 Ų | 93 | 55.6 Ų | 55.6 | 50% | 0.497 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.1 | -40.8 | -179.6 | -71.4 | -37.4 | 0 | 0 | 0 | 112.5 | S353 N359 | S353-N355 PolarHBondContact O-N 2.95Å; N355-N359 WeakPolarHBondContact O-CB 3.36Å; N355-N359 PolarHBondContact O-N 2.78Å; N355-N359 VanDerWaalsContact O-N 3.08Å; N355-N359 PolarHBondContact O-ND2 3.37Å |
| 356 | R | 83.9 | Confident | 87.2 | Confident | 194 Ų | 194 | 59.3 Ų | 59.3 | 73% | 0.732 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.5 | -44.1 | 177.2 | -179.6 | -179.8 | 171.4 | 150.9 | 0.6 | 111.1 | S353 I354 N359 V360 | S353-R356 PolarHBondContact O-N 3.46Å; I354-R356 VanDerWaalsContact C-N 3.27Å; I354-R356 PolarHBondContact O-N 3.47Å; R356-N359 PolarHBondContact O-N 2.73Å; R356-V360 WeakPolarHBondContact O-CG2 3.25Å; R356-V360 PolarHBondContact O-N 3.17Å; R356-V360 VanDerWaalsContact O-N 3.12Å |
| 357 | R | 86.2 | Confident | 87.2 | Confident | 31 Ų | 31 | 60.8 Ų | 60.8 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.5 | -48.3 | 179.2 | -73.6 | 175.6 | 64.1 | -171.2 | 1.3 | 111.5 | A271 L274 E278 S353 I354 N359 V360 V361 | A271-R357 PolarHBondContact O-NH2 3.33Å; L274-R357 HydrophobicContact CD2-CB 3.59Å; E278-R357 WeakPolarHBondContact OE1-CB 3.31Å; E278-R357 IonicContact OE1-CZ 3.53Å; E278-R357 IonicContact OE1-NE 3.59Å; E278-R357 PolarHBondContact OE1-NE 3.46Å; E278-R357 IonicContact OE1-NH2 2.77Å; E278-R357 IonicContact OE2-CZ 2.73Å; E278-R357 IonicContact OE2-NE 2.78Å; E278-R357 PolarHBondContact OE2-NE 3.28Å; E278-R357 IonicContact OE2-NH2 2.68Å; E278-R357 PolarHBondContact OE2-NH2 3.11Å; S353-R357 PolarHBondContact O-N 3.02Å; S353-R357 VanDerWaalsContact O-N 3.1Å; I354-R357 WeakPolarHBondContact O-CB 3.31Å; I354-R357 PolarHBondContact O-N 3.11Å; R357-N359 VanDerWaalsContact C-N 3.32Å; R357-N359 PolarHBondContact O-N 3.44Å; R357-V360 PolarHBondContact O-N 2.94Å; R357-V360 VanDerWaalsContact O-N 3.16Å; R357-V361 WeakPolarHBondContact O-CG2 3.43Å; R357-V361 PolarHBondContact O-N 3.16Å |
| 358 | V | 83.6 | Confident | 87.3 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 177 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | L274 L329 I354 V360 V361 N362 | L274-V358 HydrophobicContact CD1-CG2 3.91Å; L274-V358 HydrophobicContact CD2-CG2 3.55Å; L274-V358 HydrophobicContact CG-CG2 4.4Å; L329-V358 HydrophobicContact CD1-CB 3.92Å; L329-V358 HydrophobicContact CD1-CG1 3.72Å; L329-V358 HydrophobicContact CD1-CG2 3.99Å; L329-V358 HydrophobicContact CD2-CG2 4.02Å; L329-V358 HydrophobicContact CG-CG2 4.4Å; I354-V358 HydrophobicContact CG2-CG2 4.26Å; I354-V358 WeakPolarHBondContact O-CG2 3.36Å; I354-V358 PolarHBondContact O-N 3.39Å; V358-V360 VanDerWaalsContact C-N 3.33Å; V358-V360 PolarHBondContact O-N 2.98Å; V358-V361 PolarHBondContact O-N 3.02Å; V358-N362 WeakPolarHBondContact CG1-ND2 3.36Å; V358-N362 WeakPolarHBondContact O-CB 3.42Å; V358-N362 PolarHBondContact O-N 3.4Å; V358-N362 PolarHBondContact O-ND2 3.24Å |
| 359 | N | 85.2 | Confident | 87.3 | Confident | 101 Ų | 101 | 57 Ų | 57 | 54% | 0.54 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 176.2 | -72.4 | -16.8 | 0 | 0 | 0 | 112.4 | N355 R356 R357 N362 E363 | N355-N359 WeakPolarHBondContact O-CB 3.36Å; N355-N359 PolarHBondContact O-N 2.78Å; N355-N359 VanDerWaalsContact O-N 3.08Å; N355-N359 PolarHBondContact O-ND2 3.37Å; R356-N359 PolarHBondContact O-N 2.73Å; R357-N359 VanDerWaalsContact C-N 3.32Å; R357-N359 PolarHBondContact O-N 3.44Å; N359-N362 PolarHBondContact O-N 3.18Å; N359-E363 WeakPolarHBondContact O-CB 3.49Å; N359-E363 PolarHBondContact O-N 3.1Å |
| 360 | V | 88.5 | Confident | 87.5 | Confident | 60 Ų | 60 | 60.7 Ų | 60.7 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 176.4 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | R356 R357 V358 E363 K364 | R356-V360 WeakPolarHBondContact O-CG2 3.25Å; R356-V360 PolarHBondContact O-N 3.17Å; R356-V360 VanDerWaalsContact O-N 3.12Å; R357-V360 PolarHBondContact O-N 2.94Å; R357-V360 VanDerWaalsContact O-N 3.16Å; V358-V360 VanDerWaalsContact C-N 3.33Å; V358-V360 PolarHBondContact O-N 2.98Å; V360-E363 PolarHBondContact O-N 3.21Å; V360-K364 HydrophobicContact CG1-CD 4.45Å; V360-K364 WeakPolarHBondContact O-CG 3.24Å; V360-K364 PolarHBondContact O-N 3.46Å |
| 361 | V | 87.7 | Confident | 87.5 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 175.8 | 170.6 | 0 | 0 | 0 | 0 | 111 | L274 E278 L281 I322 R357 V358 K364 L365 | L274-V361 HydrophobicContact CD1-CG2 4.27Å; E278-V361 HydrophobicContact CG-CG2 3.4Å; E278-V361 VanDerWaalsContact CG-CG2 3.4Å; L281-V361 HydrophobicContact CD2-CB 4.45Å; L281-V361 HydrophobicContact CD2-CG1 3.8Å; I322-V361 HydrophobicContact CD1-CG1 3.68Å; I322-V361 HydrophobicContact CG1-CG1 4.36Å; I322-V361 HydrophobicContact CG2-CG1 3.93Å; R357-V361 WeakPolarHBondContact O-CG2 3.43Å; R357-V361 PolarHBondContact O-N 3.16Å; V358-V361 PolarHBondContact O-N 3.02Å; V361-K364 PolarHBondContact O-N 3.15Å; V361-L365 HydrophobicContact CG1-CD1 4.35Å; V361-L365 WeakPolarHBondContact O-CG 3.5Å; V361-L365 PolarHBondContact O-N 3.05Å |
| 362 | N | 87.2 | Confident | 87.6 | Confident | 53 Ų | 53 | 53.1 Ų | 53.1 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 177.8 | -76.4 | -26 | 0 | 0 | 0 | 112.3 | V358 N359 L365 E366 | V358-N362 WeakPolarHBondContact CG1-ND2 3.36Å; V358-N362 WeakPolarHBondContact O-CB 3.42Å; V358-N362 PolarHBondContact O-N 3.4Å; V358-N362 PolarHBondContact O-ND2 3.24Å; N359-N362 PolarHBondContact O-N 3.18Å; N362-L365 PolarHBondContact O-N 3.04Å; N362-E366 WeakPolarHBondContact O-CB 3.47Å; N362-E366 PolarHBondContact O-N 3.4Å |
| 363 | E | 89.9 | Confident | 87.7 | Confident | 115 Ų | 115 | 57.3 Ų | 57.3 | 54% | 0.537 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 174.9 | -174.5 | 178.9 | -175.4 | 0 | 0 | 111.6 | N359 V360 L365 E366 H367 | N359-E363 WeakPolarHBondContact O-CB 3.49Å; N359-E363 PolarHBondContact O-N 3.1Å; V360-E363 PolarHBondContact O-N 3.21Å; E363-L365 PolarHBondContact O-N 3.14Å; E363-E366 PolarHBondContact O-N 3.22Å; E363-H367 PolarHBondContact O-CD2 3.49Å; E363-H367 VanDerWaalsContact O-CD2 3.24Å; E363-H367 PolarHBondContact O-N 3.12Å; E363-H367 IonicContact OE1-NE2 3.46Å |
| 364 | K | 90.8 | Very high | 87.7 | Confident | 67 Ų | 67 | 59.8 Ų | 59.8 | 29% | 0.291 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 174.6 | -75.4 | 178.3 | 179.6 | -175.9 | 0 | 112.3 | L281 D282 V360 V361 E366 H367 C368 | L281-K364 HydrophobicContact CD2-CB 3.7Å; L281-K364 HydrophobicContact CD2-CD 4.2Å; L281-K364 HydrophobicContact CG-CB 4.4Å; D282-K364 IonicContact OD1-NZ 3.8Å; D282-K364 PolarHBondContact OD1-NZ 3.41Å; D282-K364 IonicContact OD2-NZ 2.68Å; V360-K364 HydrophobicContact CG1-CD 4.45Å; V360-K364 WeakPolarHBondContact O-CG 3.24Å; V360-K364 PolarHBondContact O-N 3.46Å; V361-K364 PolarHBondContact O-N 3.15Å; K364-E366 VanDerWaalsContact C-N 3.32Å; K364-E366 PolarHBondContact O-N 2.7Å; K364-H367 PolarHBondContact O-N 3.27Å; K364-C368 PolarHBondContact O-N 2.79Å; K364-C368 PolarHBondContact O-SG 3.28Å |
| 365 | L | 89.9 | Confident | 87.7 | Confident | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.4 | -41 | 176.3 | -79.4 | 173.1 | 0 | 0 | 0 | 111.9 | L281 L315 L318 R319 I322 V361 N362 E363 C368 T369 | L281-L365 HydrophobicContact CD1-CD2 3.64Å; L281-L365 HydrophobicContact CD1-CG 4.2Å; L281-L365 HydrophobicContact CD2-CD2 4.25Å; L281-L365 HydrophobicContact CD2-CG 3.94Å; L315-L365 HydrophobicContact CD1-CD2 3.87Å; L318-L365 HydrophobicContact CB-CD2 4.49Å; R319-L365 HydrophobicContact CB-CD2 4.38Å; I322-L365 HydrophobicContact CB-CD1 4.13Å; I322-L365 HydrophobicContact CD1-CD1 3.73Å; I322-L365 HydrophobicContact CD1-CD2 4.26Å; I322-L365 HydrophobicContact CD1-CG 4.27Å; I322-L365 HydrophobicContact CG2-CD1 3.98Å; V361-L365 HydrophobicContact CG1-CD1 4.35Å; V361-L365 WeakPolarHBondContact O-CG 3.5Å; V361-L365 PolarHBondContact O-N 3.05Å; N362-L365 PolarHBondContact O-N 3.04Å; E363-L365 PolarHBondContact O-N 3.14Å; L365-C368 WeakPolarHBondContact O-CB 3.49Å; L365-C368 PolarHBondContact O-N 3.16Å; L365-T369 WeakPolarHBondContact O-CB 3.48Å; L365-T369 PolarHBondContact O-N 3.13Å; L365-T369 PolarHBondContact O-OG1 2.89Å |
| 366 | E | 90.9 | Very high | 87.8 | Confident | 82 Ų | 82 | 62.2 Ų | 62.2 | 38% | 0.383 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64 | -45.8 | 178.1 | -177.3 | 54.5 | -146.4 | 0 | 0 | 110.9 | N362 E363 K364 C368 T369 Q370 | N362-E366 WeakPolarHBondContact O-CB 3.47Å; N362-E366 PolarHBondContact O-N 3.4Å; E363-E366 PolarHBondContact O-N 3.22Å; K364-E366 VanDerWaalsContact C-N 3.32Å; K364-E366 PolarHBondContact O-N 2.7Å; E366-C368 VanDerWaalsContact C-N 3.33Å; E366-C368 PolarHBondContact O-N 2.89Å; E366-T369 WeakPolarHBondContact O-CB 3.34Å; E366-T369 PolarHBondContact O-N 3.42Å; E366-T369 VanDerWaalsContact O-N 3.11Å; E366-Q370 WeakPolarHBondContact O-CG 3.38Å; E366-Q370 PolarHBondContact O-N 3.27Å; E366-Q370 PolarHBondContact OE1-NE2 3.05Å |
| 367 | H | 90.1 | Very high | 87.9 | Confident | 101 Ų | 101 | 55.6 Ų | 55.6 | 47% | 0.468 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.2 | -41.1 | 173.8 | -67.3 | -39.5 | 0 | 0 | 0 | 113.2 | E363 K364 T369 Q370 L371 | E363-H367 PolarHBondContact O-CD2 3.49Å; E363-H367 VanDerWaalsContact O-CD2 3.24Å; E363-H367 PolarHBondContact O-N 3.12Å; E363-H367 IonicContact OE1-NE2 3.46Å; K364-H367 PolarHBondContact O-N 3.27Å; H367-T369 VanDerWaalsContact C-N 3.29Å; H367-T369 PolarHBondContact O-N 2.89Å; H367-Q370 PolarHBondContact O-N 3.21Å; H367-L371 PolarHBondContact O-N 2.9Å |
| 368 | C | 90.8 | Very high | 87.6 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.034 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 174.5 | -70.3 | 0 | 0 | 0 | 0 | 111.7 | F284 V285 I288 L315 K364 L365 E366 L371 T372 | F284-C368 HydrophobicContact CD1-CB 4.42Å; F284-C368 HydrophobicContact CE1-CB 4.01Å; V285-C368 VanDerWaalsContact CG2-SG 3.54Å; I288-C368 HydrophobicContact CD1-CB 4.13Å; L315-C368 HydrophobicContact CD1-CB 3.66Å; L315-C368 HydrophobicContact CD2-CB 3.94Å; L315-C368 HydrophobicContact CG-CB 4.48Å; K364-C368 PolarHBondContact O-N 2.79Å; K364-C368 PolarHBondContact O-SG 3.28Å; L365-C368 WeakPolarHBondContact O-CB 3.49Å; L365-C368 PolarHBondContact O-N 3.16Å; E366-C368 VanDerWaalsContact C-N 3.33Å; E366-C368 PolarHBondContact O-N 2.89Å; C368-L371 PolarHBondContact O-N 3.28Å; C368-T372 VanDerWaalsContact O-CB 3.31Å; C368-T372 WeakPolarHBondContact O-CB 3.43Å; C368-T372 PolarHBondContact O-N 3.14Å; C368-T372 PolarHBondContact O-OG1 3.22Å |
| 369 | T | 91.4 | Very high | 87.4 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 11% | 0.11 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.2 | -49.9 | 178.7 | -57.4 | 0 | 0 | 0 | 0 | 110 | L365 E366 H367 L371 T372 D373 | L365-T369 WeakPolarHBondContact O-CB 3.48Å; L365-T369 PolarHBondContact O-N 3.13Å; L365-T369 PolarHBondContact O-OG1 2.89Å; E366-T369 WeakPolarHBondContact O-CB 3.34Å; E366-T369 PolarHBondContact O-N 3.42Å; E366-T369 VanDerWaalsContact O-N 3.11Å; H367-T369 VanDerWaalsContact C-N 3.29Å; H367-T369 PolarHBondContact O-N 2.89Å; T369-L371 VanDerWaalsContact C-N 3.35Å; T369-L371 PolarHBondContact O-N 3.34Å; T369-T372 PolarHBondContact O-N 3.08Å; T369-T372 VanDerWaalsContact O-N 3.11Å; T369-D373 PolarHBondContact O-N 3.44Å |
| 370 | Q | 90.6 | Very high | 87.1 | Confident | 92 Ų | 92 | 56.5 Ų | 56.5 | 43% | 0.43 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.6 | -45.2 | 177.5 | -68.6 | 169.5 | 6.5 | 0 | 0 | 112.3 | E366 H367 T372 D373 L374 | E366-Q370 WeakPolarHBondContact O-CG 3.38Å; E366-Q370 PolarHBondContact O-N 3.27Å; E366-Q370 PolarHBondContact OE1-NE2 3.05Å; H367-Q370 PolarHBondContact O-N 3.21Å; Q370-T372 VanDerWaalsContact C-N 3.33Å; Q370-T372 PolarHBondContact O-N 3.13Å; Q370-D373 PolarHBondContact O-N 3.44Å; Q370-L374 WeakPolarHBondContact O-CG 3.49Å; Q370-L374 PolarHBondContact O-N 3.04Å; Q370-L374 VanDerWaalsContact O-N 3.08Å |
| 371 | L | 88.3 | Confident | 86.7 | Confident | 28 Ų | 28 | 59.4 Ų | 59.4 | 15% | 0.147 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 177.1 | 178.2 | 56.1 | 0 | 0 | 0 | 111.8 | I288 P292 H367 C368 T369 D373 L374 M375 | I288-L371 HydrophobicContact CB-CD2 4.29Å; I288-L371 HydrophobicContact CD1-CD2 3.82Å; I288-L371 HydrophobicContact CG1-CD2 4.03Å; P292-L371 HydrophobicContact CG-CD1 3.82Å; P292-L371 HydrophobicContact CG-CD2 3.65Å; P292-L371 HydrophobicContact CG-CG 4.43Å; H367-L371 PolarHBondContact O-N 2.9Å; C368-L371 PolarHBondContact O-N 3.28Å; T369-L371 VanDerWaalsContact C-N 3.35Å; T369-L371 PolarHBondContact O-N 3.34Å; L371-D373 VanDerWaalsContact C-N 3.34Å; L371-L374 WeakPolarHBondContact O-CB 3.33Å; L371-L374 PolarHBondContact O-N 3.31Å; L371-M375 HydrophobicContact CG-SD 4.49Å; L371-M375 WeakPolarHBondContact O-CG 3.49Å; L371-M375 PolarHBondContact O-N 3.21Å; L371-M375 VanDerWaalsContact O-N 3.07Å |
| 372 | T | 87.9 | Confident | 86.2 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68 | -36.4 | -179.9 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | I312 C368 T369 Q370 M375 R376 | I312-T372 HydrophobicContact CB-CG2 4.11Å; I312-T372 HydrophobicContact CD1-CG2 4.11Å; I312-T372 HydrophobicContact CG1-CG2 3.1Å; C368-T372 VanDerWaalsContact O-CB 3.31Å; C368-T372 WeakPolarHBondContact O-CB 3.43Å; C368-T372 PolarHBondContact O-N 3.14Å; C368-T372 PolarHBondContact O-OG1 3.22Å; T369-T372 PolarHBondContact O-N 3.08Å; T369-T372 VanDerWaalsContact O-N 3.11Å; Q370-T372 VanDerWaalsContact C-N 3.33Å; Q370-T372 PolarHBondContact O-N 3.13Å; T372-M375 WeakPolarHBondContact O-CB 3.43Å; T372-M375 PolarHBondContact O-N 3.46Å; T372-R376 PolarHBondContact O-N 3.07Å |
| 373 | D | 87.4 | Confident | 85.7 | Confident | 87 Ų | 87 | 64.4 Ų | 64.4 | 47% | 0.465 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 174.2 | -74.8 | -27.2 | 0 | 0 | 0 | 112.1 | T369 Q370 L371 M375 R376 S377 | T369-D373 PolarHBondContact O-N 3.44Å; Q370-D373 PolarHBondContact O-N 3.44Å; L371-D373 VanDerWaalsContact C-N 3.34Å; D373-M375 VanDerWaalsContact C-N 3.31Å; D373-M375 PolarHBondContact O-N 3.45Å; D373-R376 WeakPolarHBondContact O-CB 3.5Å; D373-R376 PolarHBondContact O-N 2.93Å; D373-S377 PolarHBondContact O-N 3.07Å; D373-S377 PolarHBondContact O-OG 2.98Å |
| 374 | L | 85.6 | Confident | 85.4 | Confident | 108 Ų | 108 | 61.6 Ų | 61.6 | 57% | 0.565 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.1 | -37.9 | 172.1 | -69.8 | 171.7 | 0 | 0 | 0 | 112.3 | Q370 L371 S377 H378 | Q370-L374 WeakPolarHBondContact O-CG 3.49Å; Q370-L374 PolarHBondContact O-N 3.04Å; Q370-L374 VanDerWaalsContact O-N 3.08Å; L371-L374 WeakPolarHBondContact O-CB 3.33Å; L371-L374 PolarHBondContact O-N 3.31Å; L374-S377 PolarHBondContact O-OG 3.23Å; L374-H378 PolarHBondContact O-N 2.95Å |
| 375 | M | 83.5 | Confident | 85.1 | Confident | 7 Ų | 7 | 62.7 Ų | 62.7 | 3% | 0.034 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66 | -41.3 | 175.1 | -67 | 166.3 | 56.3 | 0 | 0 | 111.5 | I291 L303 V308 L371 T372 D373 L379 | I291-M375 HydrophobicContact CD1-CE 3.41Å; I291-M375 VanDerWaalsContact CD1-CE 3.41Å; I291-M375 HydrophobicContact CD1-SD 3.4Å; I291-M375 WeakPolarHBondContact CD1-SD 3.5Å; I291-M375 HydrophobicContact CG2-CG 4.01Å; I291-M375 HydrophobicContact CG2-SD 4.05Å; L303-M375 HydrophobicContact CD1-CE 3.78Å; V308-M375 HydrophobicContact CB-CE 4.24Å; V308-M375 HydrophobicContact CG1-CB 4Å; V308-M375 HydrophobicContact CG1-CE 4Å; V308-M375 HydrophobicContact CG2-CE 3.62Å; L371-M375 HydrophobicContact CG-SD 4.49Å; L371-M375 WeakPolarHBondContact O-CG 3.49Å; L371-M375 PolarHBondContact O-N 3.21Å; L371-M375 VanDerWaalsContact O-N 3.07Å; T372-M375 WeakPolarHBondContact O-CB 3.43Å; T372-M375 PolarHBondContact O-N 3.46Å; D373-M375 VanDerWaalsContact C-N 3.31Å; D373-M375 PolarHBondContact O-N 3.45Å; M375-L379 WeakPolarHBondContact O-CG 3.35Å; M375-L379 PolarHBondContact O-N 3.15Å |
| 376 | R | 84.8 | Confident | 84.9 | Confident | 138 Ų | 138 | 70.9 Ų | 70.9 | 52% | 0.521 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 178.5 | -176.2 | 179.1 | 179.2 | 146.6 | 0.7 | 111.9 | I312 T372 D373 L379 S380 | I312-R376 HydrophobicContact CD1-CB 4.32Å; I312-R376 HydrophobicContact CD1-CG 4.49Å; T372-R376 PolarHBondContact O-N 3.07Å; D373-R376 WeakPolarHBondContact O-CB 3.5Å; D373-R376 PolarHBondContact O-N 2.93Å; R376-L379 PolarHBondContact O-N 2.99Å; R376-S380 PolarHBondContact O-N 3.12Å |
| 377 | S | 84.9 | Confident | 84.9 | Confident | 55 Ų | 55 | 71.9 Ų | 71.9 | 39% | 0.385 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 179.2 | 63.7 | 0 | 0 | 0 | 0 | 111.6 | D373 L374 L379 S380 E381 | D373-S377 PolarHBondContact O-N 3.07Å; D373-S377 PolarHBondContact O-OG 2.98Å; L374-S377 PolarHBondContact O-OG 3.23Å; S377-L379 VanDerWaalsContact C-N 3.29Å; S377-L379 PolarHBondContact O-N 2.94Å; S377-S380 WeakPolarHBondContact O-CA 3.32Å; S377-S380 WeakPolarHBondContact O-CB 3.35Å; S377-S380 PolarHBondContact O-N 3.49Å; S377-E381 PolarHBondContact O-N 3.44Å |
| 378 | H | 81.3 | Confident | 85 | Confident | 62 Ų | 62 | 71.7 Ų | 71.7 | 29% | 0.287 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.2 | -31.6 | 177.3 | 176.3 | -113.3 | 0 | 0 | 0 | 113.4 | L374 K382 | L374-H378 PolarHBondContact O-N 2.95Å; H378-K382 VanDerWaalsContact CE1-CE 3.4Å; H378-K382 WeakPolarHBondContact CE1-CE 3.48Å; H378-K382 PolarHBondContact CE1-NZ 3.17Å; H378-K382 PolarHBondContact O-N 3.21Å |
| 379 | L | 78.3 | Confident | 85.1 | Confident | 23 Ų | 23 | 79.6 Ų | 79.6 | 12% | 0.12 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -70.3 | -42.1 | 170.6 | -73.1 | 175.4 | 0 | 0 | 0 | 111.9 | V308 M375 R376 S377 E381 K382 H383 | V308-L379 HydrophobicContact CB-CD1 3.59Å; V308-L379 HydrophobicContact CG1-CD1 3.77Å; V308-L379 HydrophobicContact CG2-CD1 3.64Å; M375-L379 WeakPolarHBondContact O-CG 3.35Å; M375-L379 PolarHBondContact O-N 3.15Å; R376-L379 PolarHBondContact O-N 2.99Å; S377-L379 VanDerWaalsContact C-N 3.29Å; S377-L379 PolarHBondContact O-N 2.94Å; L379-E381 VanDerWaalsContact C-N 3.32Å; L379-E381 PolarHBondContact O-N 3.04Å; L379-K382 WeakPolarHBondContact O-CB 3.4Å; L379-K382 PolarHBondContact O-N 3.45Å; L379-H383 PolarHBondContact O-CD2 3.47Å; L379-H383 PolarHBondContact O-N 3Å; L379-H383 VanDerWaalsContact O-N 3.08Å |
| 380 | S | 80 | Confident | 85.2 | Confident | 77 Ų | 77 | 83.8 Ų | 83.8 | 54% | 0.538 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 178 | -169.5 | 0 | 0 | 0 | 0 | 111.9 | R376 S377 K382 H383 S384 | R376-S380 PolarHBondContact O-N 3.12Å; S377-S380 WeakPolarHBondContact O-CA 3.32Å; S377-S380 WeakPolarHBondContact O-CB 3.35Å; S377-S380 PolarHBondContact O-N 3.49Å; S380-K382 PolarHBondContact O-N 3.08Å; S380-H383 WeakPolarHBondContact O-CB 3.48Å; S380-H383 PolarHBondContact O-N 3.24Å; S380-H383 VanDerWaalsContact O-N 3.14Å; S380-S384 PolarHBondContact O-N 3.44Å |
| 381 | E | 79.8 | Confident | 85.4 | Confident | 120 Ų | 120 | 83.9 Ų | 83.9 | 56% | 0.561 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59.6 | -44.6 | 175.4 | -73.4 | 177.4 | 179.9 | 0 | 0 | 112 | S377 L379 H383 S384 L385 | S377-E381 PolarHBondContact O-N 3.44Å; L379-E381 VanDerWaalsContact C-N 3.32Å; L379-E381 PolarHBondContact O-N 3.04Å; E381-H383 VanDerWaalsContact C-N 3.27Å; E381-H383 PolarHBondContact O-N 3.46Å; E381-S384 PolarHBondContact O-N 3.05Å; E381-L385 WeakPolarHBondContact O-CB 3.42Å; E381-L385 WeakPolarHBondContact O-CG 3.34Å; E381-L385 PolarHBondContact O-N 3.01Å |
| 382 | K | 77.1 | Confident | 85.7 | Confident | 69 Ų | 69 | 86.2 Ų | 86.2 | 30% | 0.3 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.1 | -36.8 | 175.4 | -71.7 | 177.4 | -179.7 | 175.2 | 0 | 112.5 | H378 L379 S380 R386 | H378-K382 VanDerWaalsContact CE1-CE 3.4Å; H378-K382 WeakPolarHBondContact CE1-CE 3.48Å; H378-K382 PolarHBondContact CE1-NZ 3.17Å; H378-K382 PolarHBondContact O-N 3.21Å; L379-K382 WeakPolarHBondContact O-CB 3.4Å; L379-K382 PolarHBondContact O-N 3.45Å; S380-K382 PolarHBondContact O-N 3.08Å; K382-R386 WeakPolarHBondContact O-CG 3.28Å; K382-R386 PolarHBondContact O-N 3.27Å; K382-R386 VanDerWaalsContact O-N 3.13Å |
| 383 | H | 77.6 | Confident | 86.1 | Confident | 90 Ų | 90 | 90.3 Ų | 90.3 | 42% | 0.417 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68.1 | -43.7 | 175.5 | -78.9 | -71.2 | 0 | 0 | 0 | 111.6 | L379 S380 E381 R386 L387 | L379-H383 PolarHBondContact O-CD2 3.47Å; L379-H383 PolarHBondContact O-N 3Å; L379-H383 VanDerWaalsContact O-N 3.08Å; S380-H383 WeakPolarHBondContact O-CB 3.48Å; S380-H383 PolarHBondContact O-N 3.24Å; S380-H383 VanDerWaalsContact O-N 3.14Å; E381-H383 VanDerWaalsContact C-N 3.27Å; E381-H383 PolarHBondContact O-N 3.46Å; H383-R386 PolarHBondContact O-N 3.03Å; H383-L387 PolarHBondContact O-N 3.47Å; H383-L387 VanDerWaalsContact O-N 3.14Å |
| 384 | S | 83 | Confident | 86.5 | Confident | 56 Ų | 56 | 91.2 Ų | 91.2 | 39% | 0.392 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.7 | -48.9 | 174.5 | -164.9 | 0 | 0 | 0 | 0 | 111.3 | S380 E381 R386 L387 E388 | S380-S384 PolarHBondContact O-N 3.44Å; E381-S384 PolarHBondContact O-N 3.05Å; S384-R386 VanDerWaalsContact C-N 3.29Å; S384-R386 PolarHBondContact O-N 3.21Å; S384-L387 WeakPolarHBondContact O-CB 3.36Å; S384-L387 PolarHBondContact O-N 3.4Å; S384-E388 WeakPolarHBondContact O-CG 3.38Å; S384-E388 PolarHBondContact O-N 3.01Å; S384-E388 PolarHBondContact OG-OE1 3.39Å; S384-E388 VanDerWaalsContact OG-OE1 3.07Å |
| 385 | L | 84.1 | Confident | 86.9 | Confident | 90 Ų | 90 | 91 Ų | 91 | 47% | 0.471 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.9 | -37.4 | 178.9 | -71.5 | 172.4 | 0 | 0 | 0 | 112.6 | E381 E388 W389 | E381-L385 WeakPolarHBondContact O-CB 3.42Å; E381-L385 WeakPolarHBondContact O-CG 3.34Å; E381-L385 PolarHBondContact O-N 3.01Å; L385-E388 PolarHBondContact O-N 2.98Å; L385-W389 WeakPolarHBondContact O-CB 3.42Å; L385-W389 VanDerWaalsContact O-CD1 3.27Å; L385-W389 PolarHBondContact O-N 3.26Å |
| 386 | R | 86 | Confident | 87.6 | Confident | 178 Ų | 178 | 94.1 Ų | 94.1 | 67% | 0.672 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.8 | -39.5 | 175.3 | -77 | 178 | -176.2 | 176.5 | 1.8 | 112.2 | K382 H383 S384 M390 | K382-R386 WeakPolarHBondContact O-CG 3.28Å; K382-R386 PolarHBondContact O-N 3.27Å; K382-R386 VanDerWaalsContact O-N 3.13Å; H383-R386 PolarHBondContact O-N 3.03Å; S384-R386 VanDerWaalsContact C-N 3.29Å; S384-R386 PolarHBondContact O-N 3.21Å; R386-M390 WeakPolarHBondContact O-CB 3.45Å; R386-M390 PolarHBondContact O-N 3.38Å |
| 387 | L | 90.3 | Very high | 88.1 | Confident | 102 Ų | 102 | 91.5 Ų | 91.5 | 53% | 0.534 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 175.5 | -68.5 | 173.4 | 0 | 0 | 0 | 110.8 | H383 S384 M390 I391 | H383-L387 PolarHBondContact O-N 3.47Å; H383-L387 VanDerWaalsContact O-N 3.14Å; S384-L387 WeakPolarHBondContact O-CB 3.36Å; S384-L387 PolarHBondContact O-N 3.4Å; L387-M390 HydrophobicContact CD2-CE 4.25Å; L387-M390 WeakPolarHBondContact O-CB 3.43Å; L387-M390 PolarHBondContact O-N 3.34Å; L387-I391 WeakPolarHBondContact O-CG1 3.46Å; L387-I391 PolarHBondContact O-N 2.76Å |
| 388 | E | 92.8 | Very high | 88.7 | Confident | 98 Ų | 98 | 93.2 Ų | 93.2 | 46% | 0.458 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.8 | -47.9 | 175.5 | -71.8 | 167.6 | -149.4 | 0 | 0 | 111.5 | S384 L385 M390 I391 V392 | S384-E388 WeakPolarHBondContact O-CG 3.38Å; S384-E388 PolarHBondContact O-N 3.01Å; S384-E388 PolarHBondContact OG-OE1 3.39Å; S384-E388 VanDerWaalsContact OG-OE1 3.07Å; L385-E388 PolarHBondContact O-N 2.98Å; E388-M390 VanDerWaalsContact C-N 3.32Å; E388-M390 PolarHBondContact O-N 3.24Å; E388-I391 WeakPolarHBondContact O-CB 3.4Å; E388-I391 PolarHBondContact O-N 3.01Å; E388-I391 VanDerWaalsContact O-N 3.15Å; E388-V392 WeakPolarHBondContact O-CG2 3.39Å; E388-V392 PolarHBondContact O-N 3Å |
| 389 | W | 93.2 | Very high | 89.3 | Confident | 170 Ų | 170 | 93.7 Ų | 93.7 | 64% | 0.644 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.1 | -39.1 | 176.1 | -92.6 | 95.7 | 0 | 0 | 0 | 112.9 | L385 I391 V392 I393 | L385-W389 WeakPolarHBondContact O-CB 3.42Å; L385-W389 VanDerWaalsContact O-CD1 3.27Å; L385-W389 PolarHBondContact O-N 3.26Å; W389-I391 VanDerWaalsContact C-N 3.32Å; W389-I391 PolarHBondContact O-N 2.9Å; W389-V392 PolarHBondContact O-N 3.36Å; W389-I393 HydrophobicContact CE3-CD1 4.47Å; W389-I393 VanDerWaalsContact O-CG1 3.28Å; W389-I393 WeakPolarHBondContact O-CG1 3.38Å; W389-I393 PolarHBondContact O-N 3.3Å |
| 390 | M | 93.2 | Very high | 90.1 | Very high | 106 Ų | 106 | 97.8 Ų | 97.8 | 52% | 0.522 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 175.5 | -172.8 | 179.2 | 75.6 | 0 | 0 | 111.3 | R386 L387 E388 I393 L394 | R386-M390 WeakPolarHBondContact O-CB 3.45Å; R386-M390 PolarHBondContact O-N 3.38Å; L387-M390 HydrophobicContact CD2-CE 4.25Å; L387-M390 WeakPolarHBondContact O-CB 3.43Å; L387-M390 PolarHBondContact O-N 3.34Å; E388-M390 VanDerWaalsContact C-N 3.32Å; E388-M390 PolarHBondContact O-N 3.24Å; M390-I393 PolarHBondContact O-N 3.22Å; M390-L394 HydrophobicContact CG-CD1 4.28Å; M390-L394 VanDerWaalsContact O-CG 3.25Å; M390-L394 WeakPolarHBondContact O-CG 3.31Å; M390-L394 PolarHBondContact O-N 3.09Å |
| 391 | I | 94.7 | Very high | 90.8 | Very high | 94 Ų | 94 | 100.8 Ų | 100.8 | 48% | 0.482 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 176.8 | -65.6 | 163.7 | 0 | 0 | 0 | 111 | L387 E388 W389 I393 L394 I395 | L387-I391 WeakPolarHBondContact O-CG1 3.46Å; L387-I391 PolarHBondContact O-N 2.76Å; E388-I391 WeakPolarHBondContact O-CB 3.4Å; E388-I391 PolarHBondContact O-N 3.01Å; E388-I391 VanDerWaalsContact O-N 3.15Å; W389-I391 VanDerWaalsContact C-N 3.32Å; W389-I391 PolarHBondContact O-N 2.9Å; I391-I393 VanDerWaalsContact C-N 3.32Å; I391-I393 PolarHBondContact O-N 3.43Å; I391-L394 PolarHBondContact O-N 3.08Å; I391-I395 HydrophobicContact CG2-CD1 3.89Å; I391-I395 WeakPolarHBondContact O-CG1 3.33Å; I391-I395 PolarHBondContact O-N 3.44Å |
| 392 | V | 95.2 | Very high | 91.5 | Very high | 78 Ų | 78 | 99.4 Ų | 99.4 | 47% | 0.473 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 179 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | E388 W389 I395 T396 | E388-V392 WeakPolarHBondContact O-CG2 3.39Å; E388-V392 PolarHBondContact O-N 3Å; W389-V392 PolarHBondContact O-N 3.36Å; V392-I395 PolarHBondContact O-N 3Å; V392-T396 WeakPolarHBondContact O-CB 3.35Å; V392-T396 PolarHBondContact O-N 3.02Å; V392-T396 PolarHBondContact O-OG1 3.23Å |
| 393 | I | 95.7 | Very high | 92.3 | Very high | 88 Ų | 88 | 100.1 Ų | 100.1 | 45% | 0.451 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 176.9 | -69.6 | 166.3 | 0 | 0 | 0 | 110.9 | W389 M390 I391 I395 T396 I397 | W389-I393 HydrophobicContact CE3-CD1 4.47Å; W389-I393 VanDerWaalsContact O-CG1 3.28Å; W389-I393 WeakPolarHBondContact O-CG1 3.38Å; W389-I393 PolarHBondContact O-N 3.3Å; M390-I393 PolarHBondContact O-N 3.22Å; I391-I393 VanDerWaalsContact C-N 3.32Å; I391-I393 PolarHBondContact O-N 3.43Å; I393-I395 PolarHBondContact O-N 3.14Å; I393-T396 PolarHBondContact O-N 3.39Å; I393-I397 HydrophobicContact CG2-CD1 3.83Å; I393-I397 HydrophobicContact CG2-CG1 4.49Å; I393-I397 WeakPolarHBondContact O-CG1 3.27Å; I393-I397 PolarHBondContact O-N 2.95Å |
| 394 | L | 94.9 | Very high | 93 | Very high | 106 Ų | 106 | 98.1 Ų | 98.1 | 56% | 0.555 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.6 | -44.3 | 178.6 | -74 | 168.3 | 0 | 0 | 0 | 112.1 | M390 I391 T396 I397 E398 | M390-L394 HydrophobicContact CG-CD1 4.28Å; M390-L394 VanDerWaalsContact O-CG 3.25Å; M390-L394 WeakPolarHBondContact O-CG 3.31Å; M390-L394 PolarHBondContact O-N 3.09Å; I391-L394 PolarHBondContact O-N 3.08Å; L394-T396 VanDerWaalsContact C-N 3.35Å; L394-I397 PolarHBondContact O-N 3.37Å; L394-E398 PolarHBondContact O-N 3.48Å |
| 395 | I | 95.7 | Very high | 93.5 | Very high | 103 Ų | 103 | 101.7 Ų | 101.7 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 176.7 | -65.5 | 168.1 | 0 | 0 | 0 | 110.7 | I391 V392 I393 I397 E398 V399 | I391-I395 HydrophobicContact CG2-CD1 3.89Å; I391-I395 WeakPolarHBondContact O-CG1 3.33Å; I391-I395 PolarHBondContact O-N 3.44Å; V392-I395 PolarHBondContact O-N 3Å; I393-I395 PolarHBondContact O-N 3.14Å; I395-I397 VanDerWaalsContact C-N 3.33Å; I395-I397 PolarHBondContact O-N 2.89Å; I395-E398 PolarHBondContact O-N 2.95Å; I395-V399 HydrophobicContact CG2-CG2 4.42Å; I395-V399 WeakPolarHBondContact O-CG2 3.38Å; I395-V399 PolarHBondContact O-N 3.3Å |
| 396 | T | 96.6 | Very high | 93.9 | Very high | 74 Ų | 74 | 105.4 Ų | 105.4 | 45% | 0.454 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | -179.9 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | V392 I393 L394 V399 M400 | V392-T396 WeakPolarHBondContact O-CB 3.35Å; V392-T396 PolarHBondContact O-N 3.02Å; V392-T396 PolarHBondContact O-OG1 3.23Å; I393-T396 PolarHBondContact O-N 3.39Å; L394-T396 VanDerWaalsContact C-N 3.35Å; T396-V399 PolarHBondContact O-N 2.98Å; T396-M400 VanDerWaalsContact O-CG 3.27Å; T396-M400 WeakPolarHBondContact O-CG 3.46Å; T396-M400 PolarHBondContact O-N 3.23Å |
| 397 | I | 96.5 | Very high | 94.1 | Very high | 82 Ų | 82 | 103.6 Ų | 103.6 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 177.5 | -69.2 | 167.6 | 0 | 0 | 0 | 111.1 | I393 L394 I395 V399 M400 F401 | I393-I397 HydrophobicContact CG2-CD1 3.83Å; I393-I397 HydrophobicContact CG2-CG1 4.49Å; I393-I397 WeakPolarHBondContact O-CG1 3.27Å; I393-I397 PolarHBondContact O-N 2.95Å; L394-I397 PolarHBondContact O-N 3.37Å; I395-I397 VanDerWaalsContact C-N 3.33Å; I395-I397 PolarHBondContact O-N 2.89Å; I397-V399 PolarHBondContact O-N 3.43Å; I397-M400 PolarHBondContact O-N 3.34Å; I397-F401 HydrophobicContact CG2-CD2 3.83Å; I397-F401 HydrophobicContact CG2-CE2 3.43Å; I397-F401 VanDerWaalsContact CG2-CE2 3.43Å; I397-F401 HydrophobicContact CG2-CZ 4.24Å; I397-F401 WeakPolarHBondContact O-CD2 3.4Å; I397-F401 PolarHBondContact O-N 2.79Å |
| 398 | E | 96 | Very high | 93.6 | Very high | 91 Ų | 91 | 109.7 Ų | 109.7 | 43% | 0.425 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 178.1 | -172.3 | 70.9 | -175.4 | 0 | 0 | 111.5 | L394 I395 M400 F401 E402 | L394-E398 PolarHBondContact O-N 3.48Å; I395-E398 PolarHBondContact O-N 2.95Å; E398-M400 VanDerWaalsContact C-N 3.33Å; E398-M400 PolarHBondContact O-N 3.36Å; E398-F401 PolarHBondContact O-N 3.43Å; E398-E402 PolarHBondContact O-N 3.04Å; E398-E402 VanDerWaalsContact O-N 3.08Å |
| 399 | V | 95.6 | Very high | 93.6 | Very high | 73 Ų | 73 | 110.3 Ų | 110.3 | 44% | 0.442 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 178.1 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | I395 T396 I397 F401 E402 L403 | I395-V399 HydrophobicContact CG2-CG2 4.42Å; I395-V399 WeakPolarHBondContact O-CG2 3.38Å; I395-V399 PolarHBondContact O-N 3.3Å; T396-V399 PolarHBondContact O-N 2.98Å; I397-V399 PolarHBondContact O-N 3.43Å; V399-F401 VanDerWaalsContact C-N 3.32Å; V399-F401 PolarHBondContact O-N 3.17Å; V399-E402 PolarHBondContact O-N 3.18Å; V399-L403 HydrophobicContact CG1-CD1 4.02Å; V399-L403 HydrophobicContact CG1-CG 4.36Å; V399-L403 WeakPolarHBondContact O-CB 3.48Å; V399-L403 WeakPolarHBondContact O-CG 3.34Å; V399-L403 PolarHBondContact O-N 3.4Å |
| 400 | M | 94.8 | Very high | 93.6 | Very high | 108 Ų | 108 | 107.2 Ų | 107.2 | 53% | 0.532 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61 | -39.5 | 175.8 | -73.9 | -65.6 | 105.6 | 0 | 0 | 112.3 | T396 I397 E398 L403 A404 | T396-M400 VanDerWaalsContact O-CG 3.27Å; T396-M400 WeakPolarHBondContact O-CG 3.46Å; T396-M400 PolarHBondContact O-N 3.23Å; I397-M400 PolarHBondContact O-N 3.34Å; E398-M400 VanDerWaalsContact C-N 3.33Å; E398-M400 PolarHBondContact O-N 3.36Å; M400-L403 HydrophobicContact CE-CD1 3.69Å; M400-L403 PolarHBondContact O-N 3.18Å; M400-A404 WeakPolarHBondContact O-CB 3.49Å; M400-A404 PolarHBondContact O-N 3.44Å |
| 401 | F | 95.1 | Very high | 93.6 | Very high | 140 Ų | 140 | 107.2 Ų | 107.2 | 61% | 0.614 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.3 | -42.2 | 176.6 | -76.4 | -47 | 0 | 0 | 0 | 113 | I397 E398 V399 L403 A404 K405 | I397-F401 HydrophobicContact CG2-CD2 3.83Å; I397-F401 HydrophobicContact CG2-CE2 3.43Å; I397-F401 VanDerWaalsContact CG2-CE2 3.43Å; I397-F401 HydrophobicContact CG2-CZ 4.24Å; I397-F401 WeakPolarHBondContact O-CD2 3.4Å; I397-F401 PolarHBondContact O-N 2.79Å; E398-F401 PolarHBondContact O-N 3.43Å; V399-F401 VanDerWaalsContact C-N 3.32Å; V399-F401 PolarHBondContact O-N 3.17Å; F401-L403 VanDerWaalsContact C-N 3.34Å; F401-A404 PolarHBondContact O-N 2.91Å; F401-K405 WeakPolarHBondContact O-CB 3.35Å; F401-K405 PolarHBondContact O-N 2.99Å |
| 402 | E | 93.6 | Very high | 93.6 | Very high | 91 Ų | 91 | 108 Ų | 108 | 43% | 0.425 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66 | -37.3 | 176 | -76.5 | -66.7 | 173.4 | 0 | 0 | 111.8 | E398 V399 K405 M406 | E398-E402 PolarHBondContact O-N 3.04Å; E398-E402 VanDerWaalsContact O-N 3.08Å; V399-E402 PolarHBondContact O-N 3.18Å; E402-K405 PolarHBondContact O-N 2.96Å; E402-M406 PolarHBondContact O-N 3.09Å |
| 403 | L | 93.6 | Very high | 93.5 | Very high | 85 Ų | 85 | 109.9 Ų | 109.9 | 45% | 0.445 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.5 | -43.6 | 173.5 | -71.8 | 175.3 | 0 | 0 | 0 | 112.3 | V399 M400 F401 K405 M406 I407 | V399-L403 HydrophobicContact CG1-CD1 4.02Å; V399-L403 HydrophobicContact CG1-CG 4.36Å; V399-L403 WeakPolarHBondContact O-CB 3.48Å; V399-L403 WeakPolarHBondContact O-CG 3.34Å; V399-L403 PolarHBondContact O-N 3.4Å; M400-L403 HydrophobicContact CE-CD1 3.69Å; M400-L403 PolarHBondContact O-N 3.18Å; F401-L403 VanDerWaalsContact C-N 3.34Å; L403-K405 VanDerWaalsContact C-N 3.27Å; L403-K405 PolarHBondContact O-N 3.34Å; L403-M406 PolarHBondContact O-N 3.14Å; L403-M406 VanDerWaalsContact O-N 3.14Å; L403-I407 WeakPolarHBondContact O-CG1 3.49Å; L403-I407 PolarHBondContact O-N 2.98Å; L403-I407 VanDerWaalsContact O-N 3.09Å |
| 404 | A | 92.6 | Very high | 93.3 | Very high | 48 Ų | 48 | 111.3 Ų | 111.3 | 40% | 0.397 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.7 | -40 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | M400 F401 I407 F408 | M400-A404 WeakPolarHBondContact O-CB 3.49Å; M400-A404 PolarHBondContact O-N 3.44Å; F401-A404 PolarHBondContact O-N 2.91Å; A404-I407 PolarHBondContact O-N 3.28Å; A404-F408 PolarHBondContact O-N 3.34Å |
| 405 | K | 92.8 | Very high | 93.2 | Very high | 130 Ų | 130 | 111.7 Ų | 111.7 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.4 | -25.2 | 176.3 | -173.5 | -175.5 | 171.7 | -163.3 | 0 | 114 | F401 E402 L403 | F401-K405 WeakPolarHBondContact O-CB 3.35Å; F401-K405 PolarHBondContact O-N 2.99Å; E402-K405 PolarHBondContact O-N 2.96Å; L403-K405 VanDerWaalsContact C-N 3.27Å; L403-K405 PolarHBondContact O-N 3.34Å |
| 406 | M | 92.1 | Very high | 93 | Very high | 169 Ų | 169 | 112.4 Ų | 112.4 | 83% | 0.833 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -75.9 | -31.4 | 172.5 | -92.9 | -112.8 | -169.5 | 0 | 0 | 112 | E402 L403 | E402-M406 PolarHBondContact O-N 3.09Å; L403-M406 PolarHBondContact O-N 3.14Å; L403-M406 VanDerWaalsContact O-N 3.14Å |
| 407 | I | 91.4 | Very high | 92.7 | Very high | 139 Ų | 139 | 115.6 Ų | 115.6 | 71% | 0.713 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -87.8 | -39.6 | -174.8 | -67.5 | 167.4 | 0 | 0 | 0 | 112.1 | L403 A404 | L403-I407 WeakPolarHBondContact O-CG1 3.49Å; L403-I407 PolarHBondContact O-N 2.98Å; L403-I407 VanDerWaalsContact O-N 3.09Å; A404-I407 PolarHBondContact O-N 3.28Å |
| 408 | F | 78.6 | Confident | 92.4 | Very high | 231 Ų | 231 | 118.6 Ų | 118.6 | 100% | 1.013 | 58% | 0.582 | S | S | * | * | trans | -98.2 | 0 | 174.6 | -80.4 | -87.5 | 0 | 0 | 0 | 110.9 | A404 | A404-F408 PolarHBondContact O-N 3.34Š|
Retrieved 408 of 408 residues in 145.4 ms
(Link to these results)