| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.3 | Very low | 34.5 | Very low | 233 Ų | 233 | 141.9 Ų | 141.9 | 100% | 1.148 | 87% | 0.869 | S | S | * | * | 0 | 141.7 | 0 | -82 | -177.4 | 157.2 | 0 | 0 | 108 | |||||
| 2 | T | 35.9 | Very low | 34.7 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 93% | 0.933 | 86% | 0.863 | S | S | * | * | trans | 63 | 129.7 | 171.8 | 56.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 3 | G | 32.6 | Very low | 34.7 | Very low | 74 Ų | 74 | 136.9 Ų | 136.9 | 76% | 0.763 | 85% | 0.848 | S | S | * | * | cis | -174.5 | 171.1 | 8.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 4 | D | 33.7 | Very low | 35.3 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 91% | 0.909 | 85% | 0.851 | S | S | * | * | trans | -55.4 | 147.5 | -176.9 | -65.6 | -79.2 | 0 | 0 | 0 | 116.3 | ||||
| 5 | A | 38.7 | Very low | 35.1 | Very low | 106 Ų | 106 | 147.5 Ų | 147.5 | 88% | 0.876 | 85% | 0.852 | S | S | * | * | trans | -139.7 | 112.7 | 148.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 6 | K | 35 | Very low | 35.3 | Very low | 200 Ų | 200 | 148.7 Ų | 148.7 | 87% | 0.87 | 85% | 0.853 | S | S | * | * | trans | -79.7 | 130 | 178.9 | -139.4 | 173.3 | -174.3 | 174.8 | 0 | 109.1 | ||||
| 7 | G | 31.1 | Very low | 35.4 | Very low | 78 Ų | 78 | 154.1 Ų | 154.1 | 80% | 0.804 | 86% | 0.856 | S | S | * | * | trans | -144.5 | 94.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 8 | N | 31.3 | Very low | 35.4 | Very low | 160 Ų | 160 | 152.1 Ų | 152.1 | 86% | 0.856 | 85% | 0.851 | S | S | * | * | trans | -66.3 | 149.2 | 173.3 | -85.6 | -18.4 | 0 | 0 | 0 | 111.3 | ||||
| 9 | G | 28 | Very low | 35.3 | Very low | 67 Ų | 67 | 154.1 Ų | 154.1 | 69% | 0.691 | 85% | 0.85 | S | S | * | * | trans | 147.2 | 85.7 | 147.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 10 | T | 33.1 | Very low | 35.2 | Very low | 142 Ų | 142 | 156.8 Ų | 156.8 | 87% | 0.871 | 85% | 0.853 | S | S | * | * | trans | 81 | 105.4 | 138.1 | -43.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 11 | Q | 38.9 | Very low | 35 | Very low | 179 Ų | 179 | 157.9 Ų | 157.9 | 84% | 0.836 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 148.1 | 166.4 | -65.4 | -163 | -31.1 | 0 | 0 | 113.1 | S13 | Q11-S13 PolarHBondContact O-N 3.49Š|
| 12 | P | 36.7 | Very low | 34.6 | Very low | 123 Ų | 123 | 154.6 Ų | 154.6 | 80% | 0.799 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 120.4 | 166.2 | 27.9 | -30.4 | 0 | 0 | 0 | 110.8 | K14 | P12-K14 PolarHBondContact O-N 3.25Š|
| 13 | S | 35.1 | Very low | 34.3 | Very low | 96 Ų | 96 | 156.5 Ų | 156.5 | 67% | 0.671 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 118.6 | 173 | -172.7 | 0 | 0 | 0 | 0 | 111 | Q11 R15 | Q11-S13 PolarHBondContact O-N 3.49Å; S13-R15 PolarHBondContact O-N 3.42Å |
| 14 | K | 42.6 | Very low | 34.6 | Very low | 204 Ų | 204 | 161.7 Ų | 161.7 | 89% | 0.887 | 84% | 0.839 | S | S | * | * | trans | -66.8 | 106.9 | 164.7 | -70.3 | 176.6 | 179.1 | 176.8 | 0 | 108.1 | P12 | P12-K14 PolarHBondContact O-N 3.25Š| ||
| 15 | R | 33.2 | Very low | 34.8 | Very low | 228 Ų | 228 | 159.6 Ų | 159.6 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | trans | -110.5 | 112.3 | 162.2 | -75.2 | -170.8 | -179.3 | -170 | 0.3 | 109.6 | S13 | S13-R15 PolarHBondContact O-N 3.42Š| ||
| 16 | L | 37.9 | Very low | 34.3 | Very low | 167 Ų | 167 | 162.4 Ų | 162.4 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 134.8 | 179.7 | -65.9 | 159.7 | 0 | 0 | 0 | 109.6 | ||
| 17 | R | 36.9 | Very low | 34.2 | Very low | 240 Ų | 240 | 157.6 Ų | 157.6 | 91% | 0.906 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 132.1 | 172.5 | -69.9 | -179 | -176.6 | 176.6 | 0.7 | 109.4 | K19 | R17-K19 PolarHBondContact O-N 2.99Š|
| 18 | P | 35.3 | Very low | 34.3 | Very low | 119 Ų | 119 | 158.9 Ų | 158.9 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 125.2 | 168.2 | -18.1 | 31.8 | 0 | 0 | 0 | 110 | ||
| 19 | K | 34 | Very low | 34.4 | Very low | 190 Ų | 190 | 160.1 Ų | 160.1 | 83% | 0.826 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 119.4 | 177.1 | -165.3 | 179.7 | -178 | -175 | 0 | 107.2 | R17 E21 | R17-K19 PolarHBondContact O-N 2.99Å; K19-E21 PolarHBondContact O-N 3Å |
| 20 | F | 33.1 | Very low | 34.7 | Very low | 207 Ų | 207 | 166.4 Ų | 166.4 | 91% | 0.908 | 85% | 0.847 | S | S | * | * | trans | -74.4 | 115.3 | 169.3 | -88.7 | -91.6 | 0 | 0 | 0 | 108.4 | ||||
| 21 | E | 31.5 | Very low | 34.6 | Very low | 180 Ų | 180 | 166.4 Ų | 166.4 | 84% | 0.841 | 84% | 0.842 | S | S | * | * | trans | -80.6 | 127.1 | 167.9 | -81.8 | 178.2 | 161.5 | 0 | 0 | 109.4 | K19 | K19-E21 PolarHBondContact O-N 3Š| ||
| 22 | L | 32 | Very low | 34.2 | Very low | 165 Ų | 165 | 164.6 Ų | 164.6 | 86% | 0.864 | 84% | 0.838 | S | S | * | * | trans | -93.4 | 110.9 | 175.2 | -173 | 74.4 | 0 | 0 | 0 | 107.7 | ||||
| 23 | Q | 30.3 | Very low | 34 | Very low | 191 Ų | 191 | 163.1 Ų | 163.1 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 122.1 | 174.1 | -142.2 | 165.9 | 19.9 | 0 | 0 | 108.8 | ||
| 24 | K | 38.4 | Very low | 33.9 | Very low | 184 Ų | 184 | 165.7 Ų | 165.7 | 80% | 0.8 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -86 | 143.9 | 172 | -64.1 | 175.7 | 178.8 | -180 | 0 | 109 | ||
| 25 | P | 38.1 | Very low | 33.5 | Very low | 125 Ų | 125 | 163.2 Ų | 163.2 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 138.5 | 153.4 | 11.5 | 6.1 | 0 | 0 | 0 | 110.3 | ||
| 26 | D | 28.8 | Very low | 33.5 | Very low | 165 Ų | 165 | 157.7 Ų | 157.7 | 88% | 0.882 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 149.6 | 179.6 | -78 | -46.6 | 0 | 0 | 0 | 113.6 | ||
| 27 | A | 31.6 | Very low | 33.3 | Very low | 99 Ų | 99 | 154.7 Ų | 154.7 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -93 | 135.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 28 | A | 34 | Very low | 33.2 | Very low | 105 Ų | 105 | 150.4 Ų | 150.4 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | trans | -145.8 | 111.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 29 | E | 33.3 | Very low | 33.1 | Very low | 186 Ų | 186 | 152.1 Ų | 152.1 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | trans | -70.3 | 144.4 | 163.3 | -63 | 178.7 | 156.5 | 0 | 0 | 109.2 | ||||
| 30 | Q | 34.2 | Very low | 33.2 | Very low | 200 Ų | 200 | 147.5 Ų | 147.5 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | trans | -156.2 | 127.1 | 136 | -112.7 | 167.7 | 26.8 | 0 | 0 | 111.4 | ||||
| 31 | D | 30.8 | Very low | 33.2 | Very low | 141 Ų | 141 | 144.4 Ų | 144.4 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | trans | -58.1 | 148.9 | 171.5 | -126 | -20 | 0 | 0 | 0 | 112.2 | ||||
| 32 | D | 31 | Very low | 33.2 | Very low | 142 Ų | 142 | 144.2 Ų | 144.2 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | 161.1 | 131 | 103.8 | -99.1 | -38.1 | 0 | 0 | 0 | 113.8 | |||||
| 33 | S | 32.6 | Very low | 33.3 | Very low | 92 Ų | 92 | 144 Ų | 144 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | trans | 77.9 | 98.5 | 135.2 | -147.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 34 | L | 33.2 | Very low | 33.3 | Very low | 149 Ų | 149 | 143.4 Ų | 143.4 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | 56.1 | 133.8 | 117.3 | -57.7 | 173.2 | 0 | 0 | 0 | 123 | |||||
| 35 | L | 32.4 | Very low | 33.1 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 80% | 0.801 | 80% | 0.795 | S | S | * | * | trans | 109.1 | 123.3 | 141 | -55.2 | -171.4 | 0 | 0 | 0 | 118.9 | ||||
| 36 | S | 33.4 | Very low | 32.8 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | 69.4 | 135.9 | 132.8 | 173.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 37 | S | 33.6 | Very low | 32.9 | Very low | 105 Ų | 105 | 144.3 Ų | 144.3 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | cis | -173.1 | 170.7 | 6 | -95 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 38 | D | 36.5 | Very low | 32.9 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -43.4 | 149.5 | 172.7 | -64.3 | -53.3 | 0 | 0 | 0 | 117.2 | ||||
| 39 | L | 32.3 | Very low | 32.7 | Very low | 156 Ų | 156 | 151.4 Ų | 151.4 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | 164.4 | 114.2 | 109.4 | -84.9 | 167.5 | 0 | 0 | 0 | 111.8 | |||||
| 40 | S | 35.4 | Very low | 32.9 | Very low | 93 Ų | 93 | 150.9 Ų | 150.9 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | 42.5 | 141.1 | 123.5 | -52.7 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 41 | I | 34.3 | Very low | 32.9 | Very low | 141 Ų | 141 | 147.2 Ų | 147.2 | 72% | 0.723 | 79% | 0.785 | S | S | * | * | trans | 80.1 | 134.9 | 142.3 | -71.4 | 161.3 | 0 | 0 | 0 | 114.3 | ||||
| 42 | E | 31 | Very low | 32.7 | Very low | 177 Ų | 177 | 146.1 Ų | 146.1 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | cis | -159.1 | 163.3 | 25.9 | -140.3 | 145.7 | -142.4 | 0 | 0 | 110.5 | ||||
| 43 | L | 33.4 | Very low | 32.6 | Very low | 161 Ų | 161 | 147.2 Ų | 147.2 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -77.4 | 140.7 | 170.5 | -67.3 | 160.9 | 0 | 0 | 0 | 110.6 | ||||
| 44 | H | 30.6 | Very low | 32.7 | Very low | 178 Ų | 178 | 148.9 Ų | 148.9 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -142.2 | 122.7 | 150.4 | -126.6 | -81.4 | 0 | 0 | 0 | 110.7 | ||||
| 45 | H | 35.1 | Very low | 32.4 | Very low | 170 Ų | 170 | 148.8 Ų | 148.8 | 79% | 0.787 | 80% | 0.802 | S | S | * | * | trans | -69.3 | 146.5 | 156.1 | -95.2 | 49.4 | 0 | 0 | 0 | 108.6 | ||||
| 46 | D | 31.5 | Very low | 32.3 | Very low | 155 Ų | 155 | 150.6 Ų | 150.6 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | trans | -167.4 | 143.2 | 130 | -91.5 | -37.6 | 0 | 0 | 0 | 110.7 | ||||
| 47 | E | 30.9 | Very low | 32.1 | Very low | 168 Ų | 168 | 152.4 Ų | 152.4 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -84.2 | 169.8 | -174 | -77.9 | -148.1 | 128.3 | 0 | 0 | 114.6 | ||||
| 48 | E | 31.6 | Very low | 31.9 | Very low | 165 Ų | 165 | 155.3 Ų | 155.3 | 77% | 0.771 | 81% | 0.81 | S | S | * | * | trans | 66.5 | 111.3 | 151.2 | -80.8 | -175.7 | 153.7 | 0 | 0 | 120.1 | ||||
| 49 | Q | 29.1 | Very low | 31.5 | Very low | 188 Ų | 188 | 157.3 Ų | 157.3 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | 176 | 127.8 | 109 | -100.9 | 172.9 | -70.2 | 0 | 0 | 111.7 | |||||
| 50 | L | 38.5 | Very low | 31.4 | Very low | 174 Ų | 174 | 155.4 Ų | 155.4 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | trans | -67.3 | 147.7 | 161.3 | -72.2 | 169 | 0 | 0 | 0 | 110.5 | ||||
| 51 | P | 32.8 | Very low | 31.3 | Very low | 123 Ų | 123 | 159.7 Ų | 159.7 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | trans | -132.9 | 150.5 | 139.4 | 16.6 | 4.8 | 0 | 0 | 0 | 114.9 | ||||
| 52 | S | 27.1 | Very low | 31.3 | Very low | 118 Ų | 118 | 161 Ų | 161 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | -56.8 | 158.3 | -177.5 | -15.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 53 | L | 30.4 | Very low | 31.6 | Very low | 166 Ų | 166 | 161.6 Ų | 161.6 | 87% | 0.869 | 84% | 0.835 | S | S | * | * | trans | -46.3 | 161.9 | 168.9 | -61.3 | 165 | 0 | 0 | 0 | 115.5 | ||||
| 54 | P | 32.9 | Very low | 31.7 | Very low | 126 Ų | 126 | 163.1 Ų | 163.1 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | -124.5 | 138.7 | 130 | 34.3 | -23.2 | 0 | 0 | 0 | 113.5 | ||||
| 55 | L | 28.5 | Very low | 31.9 | Very low | 147 Ų | 147 | 163.9 Ų | 163.9 | 77% | 0.77 | 84% | 0.842 | S | S | * | * | trans | -64.6 | 132.6 | 166.9 | -178.6 | 74 | 0 | 0 | 0 | 110.6 | ||||
| 56 | Q | 30.4 | Very low | 31.6 | Very low | 191 Ų | 191 | 163.7 Ų | 163.7 | 89% | 0.893 | 84% | 0.841 | S | S | * | * | trans | -146.6 | 113.6 | 153.3 | -151.7 | 170.2 | -12.4 | 0 | 0 | 110.4 | ||||
| 57 | E | 27.8 | Very low | 31.7 | Very low | 149 Ų | 149 | 164.2 Ų | 164.2 | 70% | 0.696 | 84% | 0.844 | S | S | * | * | trans | -64.9 | 139.8 | 173.8 | -65.1 | 161.3 | 162.7 | 0 | 0 | 110.3 | ||||
| 58 | N | 29.7 | Very low | 32 | Very low | 166 Ų | 166 | 162.3 Ų | 162.3 | 89% | 0.888 | 84% | 0.838 | S | S | * | * | trans | -151.4 | 114.9 | 144 | -101.8 | -18.3 | 0 | 0 | 0 | 107.9 | ||||
| 59 | E | 28.9 | Very low | 32.4 | Very low | 192 Ų | 192 | 160.2 Ų | 160.2 | 90% | 0.897 | 84% | 0.839 | S | S | * | * | trans | -68.2 | 132.1 | 172.3 | -60.6 | 173.3 | 137.8 | 0 | 0 | 109.8 | ||||
| 60 | S | 30.3 | Very low | 32.8 | Very low | 115 Ų | 115 | 156 Ų | 156 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -152.8 | 109.8 | 144.8 | 57.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 61 | E | 32.9 | Very low | 32.8 | Very low | 184 Ų | 184 | 157.3 Ų | 157.3 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | -47.3 | 127.7 | 172.1 | -61.1 | 162 | 161.3 | 0 | 0 | 110.9 | ||||
| 62 | D | 34.1 | Very low | 33.1 | Very low | 168 Ų | 168 | 158.3 Ų | 158.3 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | trans | -150.4 | 110.8 | 140.3 | -95.4 | -31.9 | 0 | 0 | 0 | 106.6 | E64 | D62-E64 PolarHBondContact O-N 3.09Š| ||
| 63 | E | 36.5 | Very low | 33.9 | Very low | 189 Ų | 189 | 161.4 Ų | 161.4 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | trans | -63.2 | 122.3 | 176.6 | -62.2 | 175.1 | 153 | 0 | 0 | 109.7 | ||||
| 64 | E | 35.8 | Very low | 34.3 | Very low | 194 Ų | 194 | 161.1 Ų | 161.1 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | trans | -156.1 | 92.9 | 149.5 | -107.8 | 174.1 | -143.3 | 0 | 0 | 108.7 | D62 | D62-E64 PolarHBondContact O-N 3.09Š| ||
| 65 | E | 34.5 | Very low | 34.7 | Very low | 194 Ų | 194 | 162.8 Ų | 162.8 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | trans | 15.4 | 112.2 | 163.3 | -80.8 | 176.3 | 145.1 | 0 | 0 | 119.7 | D67 | E65-D67 PolarHBondContact O-N 2.98Š| ||
| 66 | E | 29.1 | Very low | 35.1 | Very low | 166 Ų | 166 | 161.9 Ų | 161.9 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | -56.3 | 109.8 | 152.9 | -69.4 | -178.8 | 142.9 | 0 | 0 | 111.6 | L68 | E66-L68 PolarHBondContact O-N 3.29Š| ||
| 67 | D | 33.9 | Very low | 35.6 | Very low | 165 Ų | 165 | 159.3 Ų | 159.3 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | trans | -89.4 | 86.1 | 151.2 | -105.8 | -18.6 | 0 | 0 | 0 | 108.6 | E65 | E65-D67 PolarHBondContact O-N 2.98Š| ||
| 68 | L | 36.6 | Very low | 36.1 | Very low | 128 Ų | 128 | 160.2 Ų | 160.2 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | trans | -53.5 | 134.7 | 165.9 | -81.8 | 155.8 | 0 | 0 | 0 | 109.8 | E66 S70 | E66-L68 PolarHBondContact O-N 3.29Å; L68-S70 PolarHBondContact O-N 2.72Å | ||
| 69 | P | 39.9 | Very low | 37.1 | Very low | 122 Ų | 122 | 157 Ų | 157 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | -65.2 | 112.2 | 173.2 | 26.4 | -30.6 | 0 | 0 | 0 | 108.5 | F71 | P69-F71 PolarHBondContact O-N 2.71Š| ||
| 70 | S | 37.7 | Very low | 38.4 | Very low | 100 Ų | 100 | 152.1 Ų | 152.1 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | -59 | 110.9 | -177.8 | 62 | 0 | 0 | 0 | 0 | 111.2 | L68 L72 | L68-S70 PolarHBondContact O-N 2.72Å; S70-L72 PolarHBondContact O-N 2.88Å; S70-L72 VanDerWaalsContact O-N 3.09Å | ||
| 71 | F | 38.1 | Very low | 40.2 | Very low | 201 Ų | 201 | 150.6 Ų | 150.6 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | trans | -74.2 | 18.3 | 176.5 | 173.6 | -104.1 | 0 | 0 | 0 | 113.1 | P69 | P69-F71 PolarHBondContact O-N 2.71Š| ||
| 72 | L | 39 | Very low | 42.6 | Very low | 143 Ų | 143 | 143 Ų | 143 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -113.9 | 92.5 | 179.4 | -74 | 172.4 | 0 | 0 | 0 | 111.3 | S70 Q74 | S70-L72 PolarHBondContact O-N 2.88Å; S70-L72 VanDerWaalsContact O-N 3.09Å; L72-Q74 VanDerWaalsContact C-N 3.34Å; L72-Q74 PolarHBondContact O-N 3.36Å |
| 73 | M | 45.4 | Very low | 45.1 | Very low | 184 Ų | 184 | 138.5 Ų | 138.5 | 91% | 0.906 | 72% | 0.715 | S | S | * | * | trans | 47.8 | 46.1 | 143 | -71.9 | -74.4 | 140.3 | 0 | 0 | 116.2 | K75 | M73-K75 PolarHBondContact O-N 3.03Š| ||
| 74 | Q | 38.9 | Very low | 47.6 | Very low | 160 Ų | 160 | 136 Ų | 136 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | trans | -83.4 | 95.7 | 150.8 | -139.7 | 167.2 | 14 | 0 | 0 | 106.1 | L72 N76 | L72-Q74 VanDerWaalsContact C-N 3.34Å; L72-Q74 PolarHBondContact O-N 3.36Å; Q74-N76 PolarHBondContact O-N 3.46Å | ||
| 75 | K | 40.9 | Very low | 50 | Low | 160 Ų | 160 | 128.9 Ų | 128.9 | 70% | 0.696 | 68% | 0.682 | S | S | * | * | trans | -49.6 | 98.7 | 168.6 | -157.5 | 176.8 | -172.8 | -177.5 | 0 | 105.9 | M73 N77 | M73-K75 PolarHBondContact O-N 3.03Å; K75-N77 PolarHBondContact O-N 3.25Å | ||
| 76 | N | 35.9 | Very low | 52.8 | Low | 128 Ų | 128 | 121 Ų | 121 | 68% | 0.684 | 65% | 0.65 | S | S | * | * | trans | -67 | 82.5 | -177.6 | -101.8 | -33 | 0 | 0 | 0 | 106.5 | Q74 K78 | Q74-N76 PolarHBondContact O-N 3.46Å; N76-K78 PolarHBondContact O-N 2.91Å | ||
| 77 | N | 41.1 | Very low | 55.9 | Low | 137 Ų | 137 | 114.3 Ų | 114.3 | 73% | 0.733 | 62% | 0.618 | S | S | * | * | trans | -72.5 | 40.3 | 163.3 | -65.9 | -23.2 | 0 | 0 | 0 | 109.2 | K75 P79 | K75-N77 PolarHBondContact O-N 3.25Å; N77-P79 VanDerWaalsContact O-CD 3.3Å; N77-P79 WeakPolarHBondContact O-CD 3.3Å | ||
| 78 | K | 38.6 | Very low | 58.7 | Low | 169 Ų | 169 | 106.5 Ų | 106.5 | 74% | 0.735 | 58% | 0.577 | S | S | * | * | trans | -75.3 | 112.3 | 157.5 | -94.2 | 177.8 | 178.9 | 168.6 | 0 | 104.3 | N76 | N76-K78 PolarHBondContact O-N 2.91Š| ||
| 79 | P | 50.6 | Low | 61.4 | Low | 97 Ų | 97 | 100.7 Ų | 100.7 | 63% | 0.63 | 55% | 0.546 | S | S | * | . | trans | -54.6 | 136.9 | 172.3 | 23.2 | -31.4 | 0 | 0 | 0 | 107.6 | N77 S81 | N77-P79 VanDerWaalsContact O-CD 3.3Å; N77-P79 WeakPolarHBondContact O-CD 3.3Å; P79-S81 PolarHBondContact O-N 2.95Å | ||
| 80 | P | 56.6 | Low | 63.9 | Low | 90 Ų | 90 | 94.9 Ų | 94.9 | 58% | 0.584 | 51% | 0.508 | S | S | * | . | trans | -51.2 | 124.6 | 174.6 | 11.7 | -19.1 | 0 | 0 | 0 | 106.9 | I82 P139 | P80-I82 PolarHBondContact O-N 3.14Å; P80-P139 HydrophobicContact CG-CB 4.13Å; P80-P139 HydrophobicContact CG-CG 3.62Å | ||
| 81 | S | 68.9 | Low | 66.1 | Low | 83 Ų | 83 | 96 Ų | 96 | 58% | 0.58 | 50% | 0.497 | S | S | * | . | trans | -60 | 111.3 | -171.5 | 57.7 | 0 | 0 | 0 | 0 | 108 | P79 T83 | P79-S81 PolarHBondContact O-N 2.95Å; S81-T83 WeakPolarHBondContact O-CG2 3.39Å; S81-T83 PolarHBondContact O-N 3.42Å; S81-T83 VanDerWaalsContact O-N 3.15Å | ||
| 82 | I | 82.8 | Confident | 68 | Low | 26 Ų | 26 | 86.9 Ų | 86.9 | 13% | 0.133 | 46% | 0.458 | C | S | . | . | trans | -56.9 | 121.5 | -179.8 | -62.8 | 171.5 | 0 | 0 | 0 | 108 | P80 V88 V102 V105 L134 L137 | P80-I82 PolarHBondContact O-N 3.14Å; I82-V88 HydrophobicContact CD1-CG1 4.26Å; I82-V88 HydrophobicContact CG1-CG1 4.3Å; I82-V88 HydrophobicContact CG2-CG1 3.81Å; I82-V102 HydrophobicContact CG2-CB 4.46Å; I82-V102 HydrophobicContact CG2-CG1 4.26Å; I82-V102 HydrophobicContact CG2-CG2 3.62Å; I82-V105 HydrophobicContact CG2-CG2 4.46Å; I82-L134 HydrophobicContact CD1-CD2 4.41Å; I82-L137 HydrophobicContact CD1-CB 3.64Å; I82-L137 HydrophobicContact CD1-CD1 4.35Å | ||
| 83 | T | 87.2 | Confident | 69.8 | Low | 73 Ų | 73 | 85.5 Ų | 85.5 | 45% | 0.448 | 44% | 0.443 | S | S | . | . | trans | -105 | 161.4 | 179.7 | 54.6 | 0 | 0 | 0 | 0 | 111.3 | S81 A86 V102 | S81-T83 WeakPolarHBondContact O-CG2 3.39Å; S81-T83 PolarHBondContact O-N 3.42Å; S81-T83 VanDerWaalsContact O-N 3.15Å; T83-A86 WeakPolarHBondContact O-CB 3.3Å; T83-A86 PolarHBondContact O-N 3.29Å; T83-V102 WeakPolarHBondContact O-CB 3.44Å; T83-V102 WeakPolarHBondContact O-CG1 3.12Å | ||
| 84 | E | 88.8 | Confident | 71.1 | Confident | 137 Ų | 137 | 84.6 Ų | 84.6 | 64% | 0.64 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 141.7 | 167.3 | 179.6 | 169.7 | 173 | 0 | 0 | 110.5 | A86 K103 | E84-A86 PolarHBondContact O-N 3.31Å; E84-K103 VanDerWaalsContact CG-O 3.29Å; E84-K103 WeakPolarHBondContact CG-O 3.42Å |
| 85 | G | 86.6 | Confident | 73 | Confident | 44 Ų | 44 | 79.3 Ų | 79.3 | 45% | 0.454 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | -5.8 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | L101 V102 | G85-L101 WeakPolarHBondContact O-CD1 3.01Å; G85-V102 PolarHBondContact N-O 2.89Å |
| 86 | A | 91.6 | Very high | 75.2 | Confident | 28 Ų | 28 | 72.7 Ų | 72.7 | 23% | 0.231 | 39% | 0.388 | C | S | . | . | trans | -77.2 | 149.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | T83 E84 V102 | T83-A86 WeakPolarHBondContact O-CB 3.3Å; T83-A86 PolarHBondContact O-N 3.29Å; E84-A86 PolarHBondContact O-N 3.31Å; A86-V102 WeakPolarHBondContact O-CG2 3.47Å; A86-V102 PolarHBondContact O-N 3.15Å | ||
| 87 | F | 93.9 | Very high | 77.8 | Confident | 25 Ų | 25 | 68.3 Ų | 68.3 | 11% | 0.11 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 142.7 | 166.7 | -63.8 | -75.8 | 0 | 0 | 0 | 110.3 | A100 L101 V117 F140 I167 Y170 F183 | F87-A100 CarbonylContact C-O 3.55Å; F87-A100 WeakPolarHBondContact CA-O 3.23Å; F87-L101 HydrophobicContact CD1-CD1 4.21Å; F87-L101 HydrophobicContact CE1-CB 4.45Å; F87-L101 HydrophobicContact CE1-CD1 3.92Å; F87-L101 HydrophobicContact CZ-CD1 4.24Å; F87-V117 HydrophobicContact CD1-CG2 4.45Å; F87-V117 HydrophobicContact CE1-CG2 4.41Å; F87-F140 VanDerWaalsContact C-CB 3.49Å; F87-F140 HydrophobicContact CB-CB 3.64Å; F87-F140 HydrophobicContact CB-CD1 4.24Å; F87-F140 HydrophobicContact CB-CD2 4.11Å; F87-F140 HydrophobicContact CB-CG 3.75Å; F87-F140 WeakPolarHBondContact O-CB 3.39Å; F87-F140 PolarHBondContact O-N 3.48Å; F87-I167 HydrophobicContact CD1-CD1 3.87Å; F87-I167 HydrophobicContact CD1-CG1 3.95Å; F87-I167 HydrophobicContact CD1-CG2 4.3Å; F87-I167 HydrophobicContact CD2-CG2 3.86Å; F87-I167 HydrophobicContact CE1-CD1 4.18Å; F87-I167 HydrophobicContact CE1-CG1 3.75Å; F87-I167 HydrophobicContact CE1-CG2 4.27Å; F87-I167 HydrophobicContact CE2-CG2 3.83Å; F87-I167 HydrophobicContact CG-CD1 4.36Å; F87-I167 HydrophobicContact CG-CG2 4.09Å; F87-I167 HydrophobicContact CZ-CG1 4.18Å; F87-I167 HydrophobicContact CZ-CG2 4.03Å; F87-Y170 AromaticContact CE2-CD1 3.83Å; F87-Y170 HydrophobicContact CE2-CD1 3.83Å; F87-Y170 AromaticContact CE2-CE1 3.9Å; F87-Y170 HydrophobicContact CE2-CE1 3.9Å; F87-Y170 AromaticContact CZ-CD1 3.83Å; F87-Y170 HydrophobicContact CZ-CD1 3.83Å; F87-Y170 HydrophobicContact CZ-CE1 4.06Å; F87-F183 AromaticContact CE1-CD1 3.91Å; F87-F183 HydrophobicContact CE1-CD1 3.91Å; F87-F183 HydrophobicContact CE1-CD2 4.06Å; F87-F183 HydrophobicContact CE1-CE1 4.04Å; F87-F183 HydrophobicContact CE1-CE2 4.18Å; F87-F183 AromaticContact CE1-CG 3.89Å; F87-F183 HydrophobicContact CE1-CG 3.89Å; F87-F183 HydrophobicContact CE1-CZ 4.16Å; F87-F183 HydrophobicContact CZ-CB 4.01Å; F87-F183 HydrophobicContact CZ-CD1 4.13Å; F87-F183 AromaticContact CZ-CD2 3.54Å; F87-F183 HydrophobicContact CZ-CD2 3.54Å; F87-F183 HydrophobicContact CZ-CE1 4.48Å; F87-F183 AromaticContact CZ-CE2 3.93Å; F87-F183 HydrophobicContact CZ-CE2 3.93Å; F87-F183 AromaticContact CZ-CG 3.62Å; F87-F183 HydrophobicContact CZ-CG 3.62Å; F87-F183 HydrophobicContact CZ-CZ 4.38Å |
| 88 | V | 94.3 | Very high | 80.2 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.012 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 156.6 | 178.9 | -65.1 | 0 | 0 | 0 | 0 | 110.6 | I82 A100 V102 V114 L137 K138 | I82-V88 HydrophobicContact CD1-CG1 4.26Å; I82-V88 HydrophobicContact CG1-CG1 4.3Å; I82-V88 HydrophobicContact CG2-CG1 3.81Å; V88-A100 HydrophobicContact CG2-CB 4.14Å; V88-A100 PolarHBondContact N-O 3.05Å; V88-A100 PolarHBondContact O-N 2.83Å; V88-V102 HydrophobicContact CB-CG2 4.31Å; V88-V102 HydrophobicContact CG1-CG2 3.66Å; V88-V102 HydrophobicContact CG2-CG2 3.65Å; V88-V114 HydrophobicContact CG2-CG1 4.33Å; V88-L137 HydrophobicContact CG2-CD1 4.48Å; V88-L137 HydrophobicContact CG2-CD2 4.07Å; V88-K138 CarbonylContact C-O 3.48Å; V88-K138 VanDerWaalsContact CA-O 3.25Å; V88-K138 WeakPolarHBondContact CA-O 3.42Å; V88-K138 VanDerWaalsContact CB-O 3.27Å; V88-K138 WeakPolarHBondContact CB-O 3.47Å |
| 89 | W | 93.7 | Very high | 82.8 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 2% | 0.019 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 116.8 | 163.5 | -64.6 | 96.6 | 0 | 0 | 0 | 109.2 | Y97 L137 K138 F140 A145 L148 M149 I160 L164 | W89-Y97 HydrophobicContact CB-CD1 4.01Å; W89-L137 WeakPolarHBondContact O-CA 3.42Å; W89-K138 HydrophobicContact CB-CB 4.23Å; W89-K138 PolarHBondContact N-O 3.13Å; W89-K138 PolarHBondContact O-N 2.91Å; W89-F140 HydrophobicContact CZ2-CD2 4.34Å; W89-F140 HydrophobicContact CZ2-CE2 4.07Å; W89-F140 AromaticContact NE1-CD2 3.81Å; W89-F140 PolarHBondContact NE1-O 3.29Å; W89-A145 HydrophobicContact CZ2-CB 4.4Å; W89-L148 HydrophobicContact CB-CD1 3.84Å; W89-L148 HydrophobicContact CD2-CB 4.21Å; W89-L148 HydrophobicContact CD2-CD1 3.98Å; W89-L148 HydrophobicContact CE3-CB 4.08Å; W89-L148 HydrophobicContact CE3-CD1 4.46Å; W89-L148 HydrophobicContact CG-CD1 3.66Å; W89-L148 HydrophobicContact CZ3-CB 4.25Å; W89-M149 HydrophobicContact CH2-CB 4.15Å; W89-I160 HydrophobicContact CH2-CD1 4.26Å; W89-I160 HydrophobicContact CZ3-CD1 3.99Å; W89-L164 HydrophobicContact CH2-CD2 4.07Å; W89-L164 HydrophobicContact CZ2-CD2 4.24Å |
| 90 | G | 90.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 132.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | W98 | G90-W98 PolarHBondContact N-O 2.88Å; G90-W98 PolarHBondContact O-N 3.47Å |
| 91 | R | 85.9 | Confident | 86.6 | Confident | 125 Ų | 125 | 45.5 Ų | 45.5 | 47% | 0.472 | 24% | 0.238 | S | C | . | . | trans | -100.5 | 129.5 | 170.3 | -175.6 | 175.2 | 178.5 | 176.3 | -0.3 | 110.8 | Y97 | R91-Y97 HydrophobicContact CB-CD1 3.76Å; R91-Y97 HydrophobicContact CB-CD2 4.22Å; R91-Y97 HydrophobicContact CB-CE1 3.61Å; R91-Y97 HydrophobicContact CB-CE2 4.11Å; R91-Y97 HydrophobicContact CB-CG 4.07Å; R91-Y97 HydrophobicContact CG-CE2 4.41Å | ||
| 92 | C | 77.9 | Confident | 87.7 | Confident | 8 Ų | 8 | 41.6 Ų | 41.6 | 5% | 0.054 | 21% | 0.211 | C | C | . | . | trans | -125.7 | 122.5 | 173.8 | -170.8 | 0 | 0 | 0 | 0 | 110.3 | N94 Y95 F116 I209 | C92-N94 PolarHBondContact O-N 3.21Å; C92-Y95 WeakPolarHBondContact O-CB 3.41Å; C92-Y95 PolarHBondContact O-N 2.94Å; C92-F116 HydrophobicContact CB-CE2 4.34Å; C92-F116 HydrophobicContact CB-CZ 4.21Å; C92-I209 HydrophobicContact CB-CG2 3.98Å | ||
| 93 | R | 75.5 | Confident | 88 | Confident | 115 Ų | 115 | 43 Ų | 43 | 43% | 0.434 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | -122.6 | 174.2 | -59.9 | -179.9 | 175.6 | -179.3 | 1.8 | 113 | Y95 D212 | R93-Y95 VanDerWaalsContact C-N 3.33Å; R93-D212 VanDerWaalsContact CZ-O 3.27Å; R93-D212 VanDerWaalsContact NH1-CB 3.31Å; R93-D212 PolarHBondContact NH1-O 3.29Å; R93-D212 IonicContact NH1-OD2 2.73Å; R93-D212 PolarHBondContact NH1-OD2 3.44Å; R93-D212 PolarHBondContact NH2-O 3.15Å |
| 94 | N | 73.1 | Confident | 88 | Confident | 164 Ų | 164 | 44.1 Ų | 44.1 | 88% | 0.877 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 9.8 | -176.6 | -65.4 | -9.9 | 0 | 0 | 0 | 113.3 | C92 | C92-N94 PolarHBondContact O-N 3.21Š|
| 95 | Y | 78.4 | Confident | 88 | Confident | 50 Ų | 50 | 38.9 Ų | 38.9 | 20% | 0.196 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -91.2 | 151.7 | 178.6 | -67.6 | -85 | 0 | 0 | 0 | 111.4 | C92 R93 Y156 I209 | C92-Y95 WeakPolarHBondContact O-CB 3.41Å; C92-Y95 PolarHBondContact O-N 2.94Å; R93-Y95 VanDerWaalsContact C-N 3.33Å; Y95-Y156 HydrophobicContact CD1-CE2 4.3Å; Y95-Y156 WeakPolarHBondContact CE1-OH 3.41Å; Y95-I209 HydrophobicContact CD1-CD1 4.08Å; Y95-I209 HydrophobicContact CD1-CG1 3.59Å; Y95-I209 HydrophobicContact CD2-CB 4.3Å; Y95-I209 HydrophobicContact CD2-CG1 4.03Å; Y95-I209 HydrophobicContact CD2-CG2 3.89Å; Y95-I209 HydrophobicContact CE1-CG1 3.65Å; Y95-I209 HydrophobicContact CE2-CB 4.29Å; Y95-I209 HydrophobicContact CE2-CG1 4.1Å; Y95-I209 HydrophobicContact CE2-CG2 4.29Å; Y95-I209 HydrophobicContact CG-CB 4.48Å; Y95-I209 HydrophobicContact CG-CD1 4.28Å; Y95-I209 HydrophobicContact CG-CG1 3.77Å; Y95-I209 HydrophobicContact CG-CG2 4.16Å |
| 96 | P | 87.2 | Confident | 88 | Confident | 20 Ų | 20 | 39.7 Ų | 39.7 | 13% | 0.13 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -59.8 | 167.5 | 169 | 27.8 | -34.5 | 0 | 0 | 0 | 110.5 | W98 A152 Y156 | P96-W98 PolarHBondContact O-N 2.86Å; P96-A152 HydrophobicContact CB-CB 4.27Å; P96-A152 HydrophobicContact CG-CB 4.24Å; P96-Y156 HydrophobicContact CG-CD2 4.2Å; P96-Y156 HydrophobicContact CG-CE2 4.36Å |
| 97 | Y | 90.9 | Very high | 87.8 | Confident | 37 Ų | 37 | 46.4 Ų | 46.4 | 15% | 0.145 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -60.4 | 134.6 | 168.9 | -80.9 | -92.8 | 0 | 0 | 0 | 109.3 | W89 R91 T136 K138 L148 | W89-Y97 HydrophobicContact CB-CD1 4.01Å; R91-Y97 HydrophobicContact CB-CD1 3.76Å; R91-Y97 HydrophobicContact CB-CD2 4.22Å; R91-Y97 HydrophobicContact CB-CE1 3.61Å; R91-Y97 HydrophobicContact CB-CE2 4.11Å; R91-Y97 HydrophobicContact CB-CG 4.07Å; R91-Y97 HydrophobicContact CG-CE2 4.41Å; Y97-T136 WeakPolarHBondContact CE1-O 3.5Å; Y97-K138 HydrophobicContact CE1-CD 4.08Å; Y97-K138 HydrophobicContact CE1-CG 4.2Å; Y97-L148 HydrophobicContact CD1-CD1 4.4Å; Y97-L148 HydrophobicContact CD2-CD2 3.51Å; Y97-L148 HydrophobicContact CE2-CD2 4.16Å; Y97-L148 HydrophobicContact CG-CD1 4.15Å; Y97-L148 HydrophobicContact CG-CD2 3.78Å; Y97-L148 HydrophobicContact CG-CG 4.49Å |
| 98 | W | 91.9 | Very high | 87.3 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144 | -174.9 | -159.7 | -94.9 | 0 | 0 | 0 | 111.2 | G90 P96 A100 F116 A152 Y156 A159 I160 L207 I209 | G90-W98 PolarHBondContact N-O 2.88Å; G90-W98 PolarHBondContact O-N 3.47Å; P96-W98 PolarHBondContact O-N 2.86Å; W98-A100 PolarHBondContact O-N 3.46Å; W98-F116 HydrophobicContact CB-CD1 3.88Å; W98-F116 HydrophobicContact CB-CE1 3.69Å; W98-F116 HydrophobicContact CB-CZ 4.27Å; W98-F116 AromaticContact CD1-CD1 3.65Å; W98-F116 AromaticContact CD1-CG 3.88Å; W98-F116 HydrophobicContact CG-CD1 4.13Å; W98-F116 HydrophobicContact CG-CE1 4.41Å; W98-A152 HydrophobicContact CE3-CB 4.23Å; W98-A152 HydrophobicContact CZ3-CB 4.05Å; W98-Y156 HydrophobicContact CZ3-CD2 4.32Å; W98-Y156 HydrophobicContact CZ3-CG 4.3Å; W98-A159 HydrophobicContact CH2-CB 3.86Å; W98-A159 HydrophobicContact CZ2-CB 3.97Å; W98-I160 HydrophobicContact CD2-CD1 4.34Å; W98-I160 HydrophobicContact CE3-CD1 4.1Å; W98-I160 HydrophobicContact CH2-CB 3.69Å; W98-I160 HydrophobicContact CH2-CD1 4.25Å; W98-I160 HydrophobicContact CZ2-CB 4.39Å; W98-I160 HydrophobicContact CZ2-CD1 4.45Å; W98-I160 HydrophobicContact CZ3-CB 3.88Å; W98-I160 HydrophobicContact CZ3-CD1 4.07Å; W98-I160 HydrophobicContact CZ3-CG1 4.46Å; W98-L207 HydrophobicContact CH2-CD1 4.01Å; W98-L207 HydrophobicContact CH2-CD2 4.25Å; W98-L207 HydrophobicContact CZ2-CD1 3.9Å; W98-L207 HydrophobicContact CZ3-CD2 4.42Å; W98-I209 HydrophobicContact CG-CD1 4.47Å |
| 99 | P | 93.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 131.3 | -179.9 | 28.5 | -37.5 | 0 | 0 | 0 | 112 | V117 F140 I160 I167 | P99-V117 HydrophobicContact CB-CG2 4.23Å; P99-V117 WeakPolarHBondContact O-CG2 3.38Å; P99-V117 PolarHBondContact O-N 3.22Å; P99-V117 VanDerWaalsContact O-N 3.12Å; P99-F140 HydrophobicContact CB-CD2 4.36Å; P99-F140 HydrophobicContact CB-CE2 3.9Å; P99-I160 VanDerWaalsContact CD-CD1 3.43Å; P99-I160 HydrophobicContact CG-CD1 3.89Å; P99-I167 HydrophobicContact CB-CD1 3.82Å |
| 100 | A | 92.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 149.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F87 V88 W98 V114 M115 F116 | F87-A100 CarbonylContact C-O 3.55Å; F87-A100 WeakPolarHBondContact CA-O 3.23Å; V88-A100 HydrophobicContact CG2-CB 4.14Å; V88-A100 PolarHBondContact N-O 3.05Å; V88-A100 PolarHBondContact O-N 2.83Å; W98-A100 PolarHBondContact O-N 3.46Å; A100-V114 HydrophobicContact CB-CB 4.21Å; A100-M115 CarbonylContact C-O 3.53Å; A100-M115 VanDerWaalsContact CA-O 3.26Å; A100-M115 WeakPolarHBondContact CA-O 3.35Å; A100-F116 HydrophobicContact CB-CD1 3.63Å; A100-F116 HydrophobicContact CB-CE1 4.03Å |
| 101 | L | 92.4 | Very high | 86.6 | Confident | 11 Ų | 11 | 73.7 Ų | 73.7 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 133.9 | 168.5 | -176.9 | 74.8 | 0 | 0 | 0 | 110.3 | G85 F87 V114 M115 F183 I184 | G85-L101 WeakPolarHBondContact O-CD1 3.01Å; F87-L101 HydrophobicContact CD1-CD1 4.21Å; F87-L101 HydrophobicContact CE1-CB 4.45Å; F87-L101 HydrophobicContact CE1-CD1 3.92Å; F87-L101 HydrophobicContact CZ-CD1 4.24Å; L101-V114 CarbonylContact O-C 3.53Å; L101-V114 VanDerWaalsContact O-CA 3.29Å; L101-V114 WeakPolarHBondContact O-CA 3.48Å; L101-M115 PolarHBondContact N-O 3.04Å; L101-M115 PolarHBondContact O-N 3.45Å; L101-F183 HydrophobicContact CD1-CB 4.16Å; L101-F183 HydrophobicContact CD2-CB 4.17Å; L101-F183 HydrophobicContact CD2-CD1 4.14Å; L101-I184 HydrophobicContact CD2-CD1 3.71Å; L101-I184 HydrophobicContact CD2-CG1 3.72Å |
| 102 | V | 92.4 | Very high | 86.9 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 118.6 | 173.1 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | I82 T83 G85 A86 V88 V105 A112 V114 | I82-V102 HydrophobicContact CG2-CB 4.46Å; I82-V102 HydrophobicContact CG2-CG1 4.26Å; I82-V102 HydrophobicContact CG2-CG2 3.62Å; T83-V102 WeakPolarHBondContact O-CB 3.44Å; T83-V102 WeakPolarHBondContact O-CG1 3.12Å; G85-V102 PolarHBondContact N-O 2.89Å; A86-V102 WeakPolarHBondContact O-CG2 3.47Å; A86-V102 PolarHBondContact O-N 3.15Å; V88-V102 HydrophobicContact CB-CG2 4.31Å; V88-V102 HydrophobicContact CG1-CG2 3.66Å; V88-V102 HydrophobicContact CG2-CG2 3.65Å; V102-V105 HydrophobicContact CG1-CG2 3.45Å; V102-V105 VanDerWaalsContact CG1-CG2 3.45Å; V102-A112 HydrophobicContact CG1-CB 4.48Å; V102-V114 HydrophobicContact CG2-CG1 4.19Å |
| 103 | K | 89.6 | Confident | 87.5 | Confident | 56 Ų | 56 | 68.8 Ų | 68.8 | 24% | 0.243 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -40 | 176.1 | -73 | -164.7 | 170.7 | -169.9 | 0 | 113.3 | E84 S113 M115 | E84-K103 VanDerWaalsContact CG-O 3.29Å; E84-K103 WeakPolarHBondContact CG-O 3.42Å; K103-S113 PolarHBondContact N-O 2.78Å; K103-M115 VanDerWaalsContact CE-CE 3.49Å; K103-M115 WeakPolarHBondContact CE-SD 3.5Å |
| 104 | N | 86.8 | Confident | 88.2 | Confident | 96 Ų | 96 | 63.3 Ų | 63.3 | 51% | 0.513 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 144.5 | 179.9 | -169 | -12.8 | 0 | 0 | 0 | 109.6 | A112 S113 | N104-A112 CarbonylContact O-C 3.55Å; N104-A112 WeakPolarHBondContact O-CA 3.29Å; N104-S113 PolarHBondContact N-O 3.32Å; N104-S113 PolarHBondContact O-N 3.37Å |
| 105 | V | 89.3 | Confident | 88.9 | Confident | 27 Ų | 27 | 55.7 Ų | 55.7 | 16% | 0.164 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 111.6 | 179.9 | -178.3 | 0 | 0 | 0 | 0 | 110 | I82 V102 R107 A112 L134 | I82-V105 HydrophobicContact CG2-CG2 4.46Å; V102-V105 HydrophobicContact CG1-CG2 3.45Å; V102-V105 VanDerWaalsContact CG1-CG2 3.45Å; V105-R107 HydrophobicContact CG1-CG 3.97Å; V105-R107 PolarHBondContact O-N 2.92Å; V105-A112 HydrophobicContact CG2-CB 4.29Å; V105-L134 HydrophobicContact CG1-CD1 4.37Å; V105-L134 HydrophobicContact CG1-CD2 4.17Å |
| 106 | N | 86.7 | Confident | 89.4 | Confident | 61 Ų | 61 | 53.3 Ų | 53.3 | 33% | 0.326 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 90.4 | 171.4 | -169.7 | -25.2 | 0 | 0 | 0 | 110 | R108 Q109 K110 K111 | N106-R108 VanDerWaalsContact C-N 3.26Å; N106-R108 PolarHBondContact O-N 3.16Å; N106-R108 WeakPolarHBondContact OD1-CB 3.19Å; N106-R108 PolarHBondContact OD1-N 2.83Å; N106-R108 VanDerWaalsContact OD1-N 3.16Å; N106-Q109 HydrophobicContact CB-CB 4.43Å; N106-Q109 PolarHBondContact ND2-OE1 3.49Å; N106-Q109 PolarHBondContact O-N 3.35Å; N106-Q109 PolarHBondContact OD1-N 3.19Å; N106-K110 PolarHBondContact O-N 2.99Å; N106-K111 CarbonylContact C-O 3.48Å; N106-K111 WeakPolarHBondContact CA-O 3.31Å; N106-K111 PolarHBondContact N-O 3.34Å; N106-K111 PolarHBondContact O-N 2.53Å; N106-K111 VanDerWaalsContact O-N 3.14Å |
| 107 | R | 86.2 | Confident | 89.5 | Confident | 170 Ų | 170 | 52.4 Ų | 52.4 | 64% | 0.642 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -32.7 | 178.3 | -64.5 | -175.1 | -180 | 173.7 | -0.9 | 112.8 | V105 Q109 K110 | V105-R107 HydrophobicContact CG1-CG 3.97Å; V105-R107 PolarHBondContact O-N 2.92Å; R107-Q109 PolarHBondContact O-N 2.95Å; R107-K110 PolarHBondContact O-N 3.13Å |
| 108 | R | 85.4 | Confident | 88.9 | Confident | 243 Ų | 243 | 50.8 Ų | 50.8 | 92% | 0.917 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -41.1 | 178.7 | -63.1 | -175.5 | 178.6 | -171.9 | -0.2 | 111.7 | N106 | N106-R108 VanDerWaalsContact C-N 3.26Å; N106-R108 PolarHBondContact O-N 3.16Å; N106-R108 WeakPolarHBondContact OD1-CB 3.19Å; N106-R108 PolarHBondContact OD1-N 2.83Å; N106-R108 VanDerWaalsContact OD1-N 3.16Å |
| 109 | Q | 85.5 | Confident | 88 | Confident | 127 Ų | 127 | 51.7 Ų | 51.7 | 59% | 0.593 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 2.9 | 179.7 | -65.7 | -176.5 | -12 | 0 | 0 | 113.6 | N106 R107 K111 | N106-Q109 HydrophobicContact CB-CB 4.43Å; N106-Q109 PolarHBondContact ND2-OE1 3.49Å; N106-Q109 PolarHBondContact O-N 3.35Å; N106-Q109 PolarHBondContact OD1-N 3.19Å; R107-Q109 PolarHBondContact O-N 2.95Å; Q109-K111 HydrophobicContact CB-CB 4.4Å; Q109-K111 HydrophobicContact CB-CD 4.44Å; Q109-K111 WeakPolarHBondContact O-CG 3.28Å; Q109-K111 PolarHBondContact O-N 3.3Å |
| 110 | K | 87.7 | Confident | 86.4 | Confident | 159 Ų | 159 | 51.7 Ų | 51.7 | 69% | 0.691 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49 | 38.5 | -173.5 | -59.9 | -178.5 | 179.1 | 179.5 | 0 | 113 | N106 R107 L134 | N106-K110 PolarHBondContact O-N 2.99Å; R107-K110 PolarHBondContact O-N 3.13Å; K110-L134 PolarHBondContact O-N 3.22Å |
| 111 | K | 90.3 | Very high | 85 | Confident | 76 Ų | 76 | 53.9 Ų | 53.9 | 33% | 0.33 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 148.7 | -176.7 | -76.9 | 177.1 | -177.4 | -169.3 | 0 | 110 | N106 Q109 T131 L132 | N106-K111 CarbonylContact C-O 3.48Å; N106-K111 WeakPolarHBondContact CA-O 3.31Å; N106-K111 PolarHBondContact N-O 3.34Å; N106-K111 PolarHBondContact O-N 2.53Å; N106-K111 VanDerWaalsContact O-N 3.14Å; Q109-K111 HydrophobicContact CB-CB 4.4Å; Q109-K111 HydrophobicContact CB-CD 4.44Å; Q109-K111 WeakPolarHBondContact O-CG 3.28Å; Q109-K111 PolarHBondContact O-N 3.3Å; K111-T131 HydrophobicContact CB-CG2 3.65Å; K111-T131 HydrophobicContact CD-CG2 3.73Å; K111-T131 HydrophobicContact CG-CG2 3.95Å; K111-L132 WeakPolarHBondContact CA-O 3.27Å |
| 112 | A | 91 | Very high | 83.5 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 142.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V102 N104 V105 V114 T131 L132 L134 L137 | V102-A112 HydrophobicContact CG1-CB 4.48Å; N104-A112 CarbonylContact O-C 3.55Å; N104-A112 WeakPolarHBondContact O-CA 3.29Å; V105-A112 HydrophobicContact CG2-CB 4.29Å; A112-V114 HydrophobicContact CB-CG1 4.33Å; A112-T131 CarbonylContact O-C 3.59Å; A112-T131 WeakPolarHBondContact O-CA 3.2Å; A112-L132 PolarHBondContact N-O 3.26Å; A112-L132 PolarHBondContact O-N 3.17Å; A112-L134 HydrophobicContact CB-CD2 3.76Å; A112-L137 HydrophobicContact CB-CD1 3.76Å |
| 113 | S | 90.6 | Very high | 81.7 | Confident | 28 Ų | 28 | 58.9 Ų | 58.9 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 120.4 | 169.1 | -178.8 | 0 | 0 | 0 | 0 | 108 | K103 N104 G129 F130 | K103-S113 PolarHBondContact N-O 2.78Å; N104-S113 PolarHBondContact N-O 3.32Å; N104-S113 PolarHBondContact O-N 3.37Å; S113-G129 VanDerWaalsContact OG-C 3.31Å; S113-G129 WeakPolarHBondContact OG-CA 3.35Å; S113-G129 PolarHBondContact OG-O 3.49Å; S113-F130 WeakPolarHBondContact CA-O 3.34Å |
| 114 | V | 90.6 | Very high | 79.9 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 159.1 | -176.6 | -59.7 | 0 | 0 | 0 | 0 | 111 | V88 A100 L101 V102 A112 G129 F130 L132 L137 | V88-V114 HydrophobicContact CG2-CG1 4.33Å; A100-V114 HydrophobicContact CB-CB 4.21Å; L101-V114 CarbonylContact O-C 3.53Å; L101-V114 VanDerWaalsContact O-CA 3.29Å; L101-V114 WeakPolarHBondContact O-CA 3.48Å; V102-V114 HydrophobicContact CG2-CG1 4.19Å; A112-V114 HydrophobicContact CB-CG1 4.33Å; V114-G129 CarbonylContact O-C 3.4Å; V114-G129 WeakPolarHBondContact O-CA 3.42Å; V114-F130 HydrophobicContact CG2-CD2 4.19Å; V114-F130 HydrophobicContact CG2-CE1 4.38Å; V114-F130 HydrophobicContact CG2-CE2 3.62Å; V114-F130 HydrophobicContact CG2-CZ 3.68Å; V114-F130 PolarHBondContact N-O 2.91Å; V114-F130 PolarHBondContact O-N 3.02Å; V114-L132 HydrophobicContact CG2-CB 4.38Å; V114-L132 HydrophobicContact CG2-CD1 3.82Å; V114-L132 HydrophobicContact CG2-CG 3.96Å; V114-L137 HydrophobicContact CG1-CD1 3.87Å; V114-L137 HydrophobicContact CG1-CD2 4.19Å |
| 115 | M | 88.3 | Confident | 77.9 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.02 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 121.9 | 177 | 175.2 | 168.9 | -83.2 | 0 | 0 | 108.6 | A100 L101 K103 Q119 A120 I184 | A100-M115 CarbonylContact C-O 3.53Å; A100-M115 VanDerWaalsContact CA-O 3.26Å; A100-M115 WeakPolarHBondContact CA-O 3.35Å; L101-M115 PolarHBondContact N-O 3.04Å; L101-M115 PolarHBondContact O-N 3.45Å; K103-M115 VanDerWaalsContact CE-CE 3.49Å; K103-M115 WeakPolarHBondContact CE-SD 3.5Å; M115-Q119 HydrophobicContact CG-CB 4.49Å; M115-A120 HydrophobicContact CG-CB 4.23Å; M115-A120 HydrophobicContact SD-CB 4.01Å; M115-I184 HydrophobicContact SD-CD1 3.96Å |
| 116 | F | 89.1 | Confident | 76.2 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 147.4 | 175 | -68.1 | -51.8 | 0 | 0 | 0 | 110.9 | C92 W98 A100 D118 Q119 A120 F130 I209 T210 | C92-F116 HydrophobicContact CB-CE2 4.34Å; C92-F116 HydrophobicContact CB-CZ 4.21Å; W98-F116 HydrophobicContact CB-CD1 3.88Å; W98-F116 HydrophobicContact CB-CE1 3.69Å; W98-F116 HydrophobicContact CB-CZ 4.27Å; W98-F116 AromaticContact CD1-CD1 3.65Å; W98-F116 AromaticContact CD1-CG 3.88Å; W98-F116 HydrophobicContact CG-CD1 4.13Å; W98-F116 HydrophobicContact CG-CE1 4.41Å; A100-F116 HydrophobicContact CB-CD1 3.63Å; A100-F116 HydrophobicContact CB-CE1 4.03Å; F116-D118 VanDerWaalsContact C-N 3.33Å; F116-D118 WeakPolarHBondContact CB-OD1 3.49Å; F116-D118 PolarHBondContact O-N 3.23Å; F116-Q119 HydrophobicContact CB-CG 4.41Å; F116-Q119 WeakPolarHBondContact O-CB 3.33Å; F116-Q119 PolarHBondContact O-N 3.1Å; F116-Q119 VanDerWaalsContact O-N 3.11Å; F116-A120 PolarHBondContact O-N 2.91Å; F116-A120 VanDerWaalsContact O-N 3.08Å; F116-F130 HydrophobicContact CD1-CZ 4.31Å; F116-F130 AromaticContact CD2-CE1 3.64Å; F116-F130 HydrophobicContact CD2-CE1 3.64Å; F116-F130 AromaticContact CD2-CZ 3.46Å; F116-F130 HydrophobicContact CD2-CZ 3.46Å; F116-F130 VanDerWaalsContact CD2-CZ 3.46Å; F116-F130 HydrophobicContact CE1-CZ 4.05Å; F116-F130 AromaticContact CE2-CE1 3.76Å; F116-F130 HydrophobicContact CE2-CE1 3.76Å; F116-F130 AromaticContact CE2-CE2 3.95Å; F116-F130 HydrophobicContact CE2-CE2 3.95Å; F116-F130 AromaticContact CE2-CZ 3.14Å; F116-F130 HydrophobicContact CE2-CZ 3.14Å; F116-F130 HydrophobicContact CG-CE1 4.24Å; F116-F130 HydrophobicContact CG-CZ 4.04Å; F116-F130 HydrophobicContact CZ-CE1 4.47Å; F116-F130 HydrophobicContact CZ-CE2 4.08Å; F116-F130 AromaticContact CZ-CZ 3.48Å; F116-F130 HydrophobicContact CZ-CZ 3.48Å; F116-F130 VanDerWaalsContact CZ-CZ 3.48Å; F116-I209 HydrophobicContact CD2-CB 4.46Å; F116-I209 HydrophobicContact CD2-CG2 4.04Å; F116-I209 HydrophobicContact CE2-CB 4.28Å; F116-I209 HydrophobicContact CE2-CG2 3.4Å; F116-I209 HydrophobicContact CZ-CG2 4.26Å; F116-T210 HydrophobicContact CD2-CG2 4.39Å |
| 117 | V | 87.7 | Confident | 74.8 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.7 | -36.8 | -171.2 | 168.1 | 0 | 0 | 0 | 0 | 112.7 | F87 P99 Q119 A120 W162 F166 I167 F183 | F87-V117 HydrophobicContact CD1-CG2 4.45Å; F87-V117 HydrophobicContact CE1-CG2 4.41Å; P99-V117 HydrophobicContact CB-CG2 4.23Å; P99-V117 WeakPolarHBondContact O-CG2 3.38Å; P99-V117 PolarHBondContact O-N 3.22Å; P99-V117 VanDerWaalsContact O-N 3.12Å; V117-Q119 VanDerWaalsContact C-N 3.31Å; V117-Q119 PolarHBondContact O-N 3.42Å; V117-A120 WeakPolarHBondContact O-CB 3.27Å; V117-A120 PolarHBondContact O-N 3.37Å; V117-W162 HydrophobicContact CG1-CZ3 4.42Å; V117-F166 HydrophobicContact CG1-CD1 3.98Å; V117-I167 HydrophobicContact CG1-CG1 4.24Å; V117-I167 HydrophobicContact CG2-CD1 3.7Å; V117-I167 HydrophobicContact CG2-CG1 3.96Å; V117-F183 HydrophobicContact CG1-CE1 4.21Å; V117-F183 HydrophobicContact CG1-CZ 3.91Å; V117-F183 HydrophobicContact CG2-CE1 4.32Å |
| 118 | D | 79.2 | Confident | 73.7 | Confident | 4 Ų | 4 | 69.6 Ų | 69.6 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 172.5 | 60.6 | -20.1 | 0 | 0 | 0 | 112.5 | F116 F121 T122 Y199 | F116-D118 VanDerWaalsContact C-N 3.33Å; F116-D118 WeakPolarHBondContact CB-OD1 3.49Å; F116-D118 PolarHBondContact O-N 3.23Å; D118-F121 PolarHBondContact O-N 3.26Å; D118-T122 PolarHBondContact O-N 3.27Å; D118-Y199 HydrophobicContact CB-CE2 4.26Å |
| 119 | Q | 72.9 | Confident | 73.1 | Confident | 20 Ų | 20 | 58.5 Ų | 58.5 | 9% | 0.093 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -75.8 | -27.7 | 178.9 | -64.9 | 173.8 | 24.9 | 0 | 0 | 113.5 | M115 F116 V117 F121 T122 T210 | M115-Q119 HydrophobicContact CG-CB 4.49Å; F116-Q119 HydrophobicContact CB-CG 4.41Å; F116-Q119 WeakPolarHBondContact O-CB 3.33Å; F116-Q119 PolarHBondContact O-N 3.1Å; F116-Q119 VanDerWaalsContact O-N 3.11Å; V117-Q119 VanDerWaalsContact C-N 3.31Å; V117-Q119 PolarHBondContact O-N 3.42Å; Q119-F121 PolarHBondContact O-N 2.88Å; Q119-T122 PolarHBondContact O-OG1 2.94Å; Q119-T210 VanDerWaalsContact CD-OG1 3.3Å; Q119-T210 PolarHBondContact NE2-OG1 2.83Å; Q119-T210 PolarHBondContact OE1-OG1 2.85Å |
| 120 | A | 60.5 | Low | 73 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.4 | -27.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | M115 F116 V117 Q125 F183 I184 | M115-A120 HydrophobicContact CG-CB 4.23Å; M115-A120 HydrophobicContact SD-CB 4.01Å; F116-A120 PolarHBondContact O-N 2.91Å; F116-A120 VanDerWaalsContact O-N 3.08Å; V117-A120 WeakPolarHBondContact O-CB 3.27Å; V117-A120 PolarHBondContact O-N 3.37Å; A120-Q125 PolarHBondContact O-NE2 3.29Å; A120-F183 HydrophobicContact CB-CE1 4.17Å; A120-I184 HydrophobicContact CB-CD1 4.11Å |
| 121 | F | 62.7 | Low | 73 | Confident | 46 Ų | 46 | 50.3 Ų | 50.3 | 20% | 0.202 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -86.9 | -35.8 | -179.3 | 169.2 | -118.4 | 0 | 0 | 0 | 114.6 | D118 Q119 G123 W162 F166 R196 Y199 | D118-F121 PolarHBondContact O-N 3.26Å; Q119-F121 PolarHBondContact O-N 2.88Å; F121-G123 PolarHBondContact O-N 2.81Å; F121-W162 HydrophobicContact CB-CH2 3.73Å; F121-W162 HydrophobicContact CB-CZ2 4.47Å; F121-W162 AromaticContact CD1-CH2 3.87Å; F121-W162 HydrophobicContact CD1-CH2 3.87Å; F121-W162 HydrophobicContact CD1-CZ2 4.02Å; F121-W162 AromaticContact CG-CH2 3.89Å; F121-W162 HydrophobicContact CG-CH2 3.89Å; F121-W162 HydrophobicContact CG-CZ2 4.17Å; F121-F166 HydrophobicContact CB-CE1 4.4Å; F121-R196 HydrophobicContact CD2-CB 4.11Å; F121-R196 VanDerWaalsContact CD2-CD 3.42Å; F121-R196 HydrophobicContact CD2-CG 3.51Å; F121-R196 HydrophobicContact CE2-CB 3.44Å; F121-R196 VanDerWaalsContact CE2-CB 3.44Å; F121-R196 HydrophobicContact CE2-CG 3.36Å; F121-R196 HydrophobicContact CG-CG 4.46Å; F121-R196 HydrophobicContact CZ-CB 3.81Å; F121-R196 HydrophobicContact CZ-CG 4.17Å; F121-Y199 HydrophobicContact CD1-CD1 4.17Å; F121-Y199 HydrophobicContact CD1-CD2 4.04Å; F121-Y199 HydrophobicContact CD1-CE2 4.44Å; F121-Y199 AromaticContact CD1-CG 3.89Å; F121-Y199 HydrophobicContact CD1-CG 3.89Å; F121-Y199 AromaticContact CE1-CD1 3.82Å; F121-Y199 HydrophobicContact CE1-CD1 3.82Å; F121-Y199 HydrophobicContact CE1-CD2 4.26Å; F121-Y199 AromaticContact CE1-CG 3.65Å; F121-Y199 HydrophobicContact CE1-CG 3.65Å |
| 122 | T | 61.8 | Low | 72.8 | Confident | 59 Ų | 59 | 47.4 Ų | 47.4 | 36% | 0.362 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 18.5 | -170.4 | 50.4 | 0 | 0 | 0 | 0 | 115.6 | D118 Q119 I124 Y199 | D118-T122 PolarHBondContact O-N 3.27Å; Q119-T122 PolarHBondContact O-OG1 2.94Å; T122-I124 PolarHBondContact O-N 3.31Å; T122-I124 WeakPolarHBondContact OG1-CD1 3.38Å; T122-I124 WeakPolarHBondContact OG1-CG1 3.25Å; T122-Y199 HydrophobicContact CG2-CE1 4.5Å |
| 123 | G | 53.8 | Low | 72.7 | Confident | 58 Ų | 58 | 49.5 Ų | 49.5 | 60% | 0.598 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 6.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F121 Q125 | F121-G123 PolarHBondContact O-N 2.81Å; G123-Q125 PolarHBondContact O-N 2.9Å |
| 124 | I | 51.1 | Low | 72.5 | Confident | 67 Ų | 67 | 50.3 Ų | 50.3 | 34% | 0.344 | 26% | 0.264 | S | S | . | . | trans | -78.6 | 35.3 | 176.1 | -53.1 | -177.2 | 0 | 0 | 0 | 110.1 | T122 K126 Q127 | T122-I124 PolarHBondContact O-N 3.31Å; T122-I124 WeakPolarHBondContact OG1-CD1 3.38Å; T122-I124 WeakPolarHBondContact OG1-CG1 3.25Å; I124-K126 PolarHBondContact O-N 3.07Å; I124-Q127 HydrophobicContact CB-CG 4.43Å; I124-Q127 HydrophobicContact CG2-CB 3.6Å; I124-Q127 HydrophobicContact CG2-CG 2.96Å; I124-Q127 PolarHBondContact O-N 3.31Å | ||
| 125 | Q | 46.7 | Very low | 72.3 | Confident | 52 Ų | 52 | 61.3 Ų | 61.3 | 24% | 0.243 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -16.8 | -178.4 | -70.4 | -70.1 | -1.3 | 0 | 0 | 112.9 | A120 G123 N188 | A120-Q125 PolarHBondContact O-NE2 3.29Å; G123-Q125 PolarHBondContact O-N 2.9Å; Q125-N188 PolarHBondContact NE2-ND2 3.4Å; Q125-N188 PolarHBondContact NE2-OD1 3.19Å; Q125-N188 VanDerWaalsContact NE2-OD1 3.09Å |
| 126 | K | 52 | Low | 72.3 | Confident | 205 Ų | 205 | 62.9 Ų | 62.9 | 89% | 0.891 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -5.1 | 178.8 | -64.1 | -174.5 | -177.3 | 177.2 | 0 | 114.9 | I124 K128 | I124-K126 PolarHBondContact O-N 3.07Å; K126-K128 PolarHBondContact O-N 3.34Å |
| 127 | Q | 57 | Low | 72.3 | Confident | 118 Ų | 118 | 63.3 Ų | 63.3 | 55% | 0.551 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -75.5 | 126.7 | 172 | -65.8 | -73 | 5.1 | 0 | 0 | 109.1 | I124 G129 | I124-Q127 HydrophobicContact CB-CG 4.43Å; I124-Q127 HydrophobicContact CG2-CB 3.6Å; I124-Q127 HydrophobicContact CG2-CG 2.96Å; I124-Q127 PolarHBondContact O-N 3.31Å; Q127-G129 PolarHBondContact O-N 2.92Å |
| 128 | K | 64.9 | Low | 72.5 | Confident | 194 Ų | 194 | 65.7 Ų | 65.7 | 84% | 0.843 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 125.7 | 162.5 | -68.8 | 177.1 | 176.8 | 179.2 | 0 | 106.4 | K126 F130 | K126-K128 PolarHBondContact O-N 3.34Å; K128-F130 PolarHBondContact O-N 3.41Å |
| 129 | G | 72 | Confident | 73.1 | Confident | 10 Ų | 10 | 67.2 Ų | 67.2 | 10% | 0.103 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 142.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | S113 V114 Q127 | S113-G129 VanDerWaalsContact OG-C 3.31Å; S113-G129 WeakPolarHBondContact OG-CA 3.35Å; S113-G129 PolarHBondContact OG-O 3.49Å; V114-G129 CarbonylContact O-C 3.4Å; V114-G129 WeakPolarHBondContact O-CA 3.42Å; Q127-G129 PolarHBondContact O-N 2.92Å |
| 130 | F | 82.4 | Confident | 74.1 | Confident | 25 Ų | 25 | 67.5 Ų | 67.5 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 155.2 | 180 | 60 | -85.2 | 0 | 0 | 0 | 109.9 | S113 V114 F116 K128 L132 T210 V213 | S113-F130 WeakPolarHBondContact CA-O 3.34Å; V114-F130 HydrophobicContact CG2-CD2 4.19Å; V114-F130 HydrophobicContact CG2-CE1 4.38Å; V114-F130 HydrophobicContact CG2-CE2 3.62Å; V114-F130 HydrophobicContact CG2-CZ 3.68Å; V114-F130 PolarHBondContact N-O 2.91Å; V114-F130 PolarHBondContact O-N 3.02Å; F116-F130 HydrophobicContact CD1-CZ 4.31Å; F116-F130 AromaticContact CD2-CE1 3.64Å; F116-F130 HydrophobicContact CD2-CE1 3.64Å; F116-F130 AromaticContact CD2-CZ 3.46Å; F116-F130 HydrophobicContact CD2-CZ 3.46Å; F116-F130 VanDerWaalsContact CD2-CZ 3.46Å; F116-F130 HydrophobicContact CE1-CZ 4.05Å; F116-F130 AromaticContact CE2-CE1 3.76Å; F116-F130 HydrophobicContact CE2-CE1 3.76Å; F116-F130 AromaticContact CE2-CE2 3.95Å; F116-F130 HydrophobicContact CE2-CE2 3.95Å; F116-F130 AromaticContact CE2-CZ 3.14Å; F116-F130 HydrophobicContact CE2-CZ 3.14Å; F116-F130 HydrophobicContact CG-CE1 4.24Å; F116-F130 HydrophobicContact CG-CZ 4.04Å; F116-F130 HydrophobicContact CZ-CE1 4.47Å; F116-F130 HydrophobicContact CZ-CE2 4.08Å; F116-F130 AromaticContact CZ-CZ 3.48Å; F116-F130 HydrophobicContact CZ-CZ 3.48Å; F116-F130 VanDerWaalsContact CZ-CZ 3.48Å; K128-F130 PolarHBondContact O-N 3.41Å; F130-L132 HydrophobicContact CD2-CD2 4.17Å; F130-L132 HydrophobicContact CD2-CG 3.98Å; F130-L132 HydrophobicContact CE2-CD1 3.77Å; F130-L132 HydrophobicContact CE2-CD2 4.02Å; F130-L132 HydrophobicContact CE2-CG 3.66Å; F130-T210 HydrophobicContact CD1-CG2 3.66Å; F130-T210 HydrophobicContact CE1-CG2 3.69Å; F130-T210 HydrophobicContact CG-CG2 4.4Å; F130-T210 HydrophobicContact CZ-CG2 4.44Å; F130-V213 HydrophobicContact CB-CG1 4.06Å |
| 131 | T | 87.7 | Confident | 75.5 | Confident | 88 Ų | 88 | 72.8 Ų | 72.8 | 54% | 0.54 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 120.9 | -171.5 | -57.3 | 0 | 0 | 0 | 0 | 110.5 | K111 A112 | K111-T131 HydrophobicContact CB-CG2 3.65Å; K111-T131 HydrophobicContact CD-CG2 3.73Å; K111-T131 HydrophobicContact CG-CG2 3.95Å; A112-T131 CarbonylContact O-C 3.59Å; A112-T131 WeakPolarHBondContact O-CA 3.2Å |
| 132 | L | 87.6 | Confident | 76.8 | Confident | 15 Ų | 15 | 72 Ų | 72 | 8% | 0.079 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 144.6 | 172.1 | -70.7 | -174.6 | 0 | 0 | 0 | 111.2 | K111 A112 V114 F130 L137 | K111-L132 WeakPolarHBondContact CA-O 3.27Å; A112-L132 PolarHBondContact N-O 3.26Å; A112-L132 PolarHBondContact O-N 3.17Å; V114-L132 HydrophobicContact CG2-CB 4.38Å; V114-L132 HydrophobicContact CG2-CD1 3.82Å; V114-L132 HydrophobicContact CG2-CG 3.96Å; F130-L132 HydrophobicContact CD2-CD2 4.17Å; F130-L132 HydrophobicContact CD2-CG 3.98Å; F130-L132 HydrophobicContact CE2-CD1 3.77Å; F130-L132 HydrophobicContact CE2-CD2 4.02Å; F130-L132 HydrophobicContact CE2-CG 3.66Å; L132-L137 HydrophobicContact CB-CD2 4.06Å; L132-L137 HydrophobicContact CB-CG 4.38Å; L132-L137 HydrophobicContact CD1-CD2 3.67Å |
| 133 | P | 88.4 | Confident | 78.1 | Confident | 46 Ų | 46 | 78 Ų | 78 | 30% | 0.299 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 140.3 | 167.7 | -21.5 | 33.1 | 0 | 0 | 0 | 111.2 | R135 T136 | P133-R135 HydrophobicContact CB-CG 3.84Å; P133-R135 PolarHBondContact O-N 3.21Å; P133-R135 VanDerWaalsContact O-N 3.12Å; P133-T136 HydrophobicContact CB-CG2 4.41Å; P133-T136 HydrophobicContact CG-CG2 4.47Å; P133-T136 PolarHBondContact O-N 2.65Å; P133-T136 PolarHBondContact O-OG1 3.2Å |
| 134 | L | 86.6 | Confident | 79.9 | Confident | 45 Ų | 45 | 79.4 Ų | 79.4 | 24% | 0.236 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -58.7 | -29.5 | 178.1 | -74.4 | 176 | 0 | 0 | 0 | 112.7 | I82 V105 K110 A112 T136 L137 | I82-L134 HydrophobicContact CD1-CD2 4.41Å; V105-L134 HydrophobicContact CG1-CD1 4.37Å; V105-L134 HydrophobicContact CG1-CD2 4.17Å; K110-L134 PolarHBondContact O-N 3.22Å; A112-L134 HydrophobicContact CB-CD2 3.76Å; L134-T136 PolarHBondContact O-N 2.68Å; L134-L137 HydrophobicContact CD2-CD1 4.32Å; L134-L137 PolarHBondContact O-N 3.5Å |
| 135 | R | 85.7 | Confident | 81.8 | Confident | 230 Ų | 230 | 77.1 Ų | 77.1 | 87% | 0.868 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -65 | -21.9 | 177.2 | 67.2 | 176.4 | -178.2 | -177.3 | -0.2 | 114.6 | P133 | P133-R135 HydrophobicContact CB-CG 3.84Å; P133-R135 PolarHBondContact O-N 3.21Å; P133-R135 VanDerWaalsContact O-N 3.12Å |
| 136 | T | 87.7 | Confident | 83.9 | Confident | 37 Ų | 37 | 79.7 Ų | 79.7 | 23% | 0.227 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -97.1 | -0.7 | -179.4 | 59.5 | 0 | 0 | 0 | 0 | 112.5 | Y97 P133 L134 | Y97-T136 WeakPolarHBondContact CE1-O 3.5Å; P133-T136 HydrophobicContact CB-CG2 4.41Å; P133-T136 HydrophobicContact CG-CG2 4.47Å; P133-T136 PolarHBondContact O-N 2.65Å; P133-T136 PolarHBondContact O-OG1 3.2Å; L134-T136 PolarHBondContact O-N 2.68Å |
| 137 | L | 90.6 | Very high | 85.9 | Confident | 11 Ų | 11 | 76.3 Ų | 76.3 | 6% | 0.058 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 133.1 | 176.9 | -61.8 | -178.8 | 0 | 0 | 0 | 109 | I82 V88 W89 A112 V114 L132 L134 | I82-L137 HydrophobicContact CD1-CB 3.64Å; I82-L137 HydrophobicContact CD1-CD1 4.35Å; V88-L137 HydrophobicContact CG2-CD1 4.48Å; V88-L137 HydrophobicContact CG2-CD2 4.07Å; W89-L137 WeakPolarHBondContact O-CA 3.42Å; A112-L137 HydrophobicContact CB-CD1 3.76Å; V114-L137 HydrophobicContact CG1-CD1 3.87Å; V114-L137 HydrophobicContact CG1-CD2 4.19Å; L132-L137 HydrophobicContact CB-CD2 4.06Å; L132-L137 HydrophobicContact CB-CG 4.38Å; L132-L137 HydrophobicContact CD1-CD2 3.67Å; L134-L137 HydrophobicContact CD2-CD1 4.32Å; L134-L137 PolarHBondContact O-N 3.5Å |
| 138 | K | 91.8 | Very high | 87.6 | Confident | 49 Ų | 49 | 71.2 Ų | 71.2 | 21% | 0.213 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 144.3 | 170.8 | -62 | -179.6 | 175.1 | -172.8 | 0 | 109.3 | V88 W89 Y97 E144 L148 | V88-K138 CarbonylContact C-O 3.48Å; V88-K138 VanDerWaalsContact CA-O 3.25Å; V88-K138 WeakPolarHBondContact CA-O 3.42Å; V88-K138 VanDerWaalsContact CB-O 3.27Å; V88-K138 WeakPolarHBondContact CB-O 3.47Å; W89-K138 HydrophobicContact CB-CB 4.23Å; W89-K138 PolarHBondContact N-O 3.13Å; W89-K138 PolarHBondContact O-N 2.91Å; Y97-K138 HydrophobicContact CE1-CD 4.08Å; Y97-K138 HydrophobicContact CE1-CG 4.2Å; K138-E144 IonicContact NZ-OE1 3.4Å; K138-E144 IonicContact NZ-OE2 3.43Å; K138-E144 PolarHBondContact NZ-OE2 2.83Å; K138-L148 HydrophobicContact CD-CD1 4.01Å |
| 139 | P | 92.3 | Very high | 88.9 | Confident | 36 Ų | 36 | 63.7 Ų | 63.7 | 23% | 0.234 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 144.2 | 171.8 | -22.3 | 32.9 | 0 | 0 | 0 | 110.7 | P80 D141 C142 | P80-P139 HydrophobicContact CG-CB 4.13Å; P80-P139 HydrophobicContact CG-CG 3.62Å; P139-D141 PolarHBondContact O-N 3.14Å; P139-C142 WeakPolarHBondContact O-CB 3.46Å; P139-C142 PolarHBondContact O-N 3.37Å; P139-C142 PolarHBondContact O-SG 3.34Å |
| 140 | F | 92.3 | Very high | 89.8 | Confident | 27 Ų | 27 | 69 Ų | 69 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -43.7 | -178.1 | -176.3 | -105.5 | 0 | 0 | 0 | 112.9 | F87 W89 P99 C142 A145 L164 I167 | F87-F140 VanDerWaalsContact C-CB 3.49Å; F87-F140 HydrophobicContact CB-CB 3.64Å; F87-F140 HydrophobicContact CB-CD1 4.24Å; F87-F140 HydrophobicContact CB-CD2 4.11Å; F87-F140 HydrophobicContact CB-CG 3.75Å; F87-F140 WeakPolarHBondContact O-CB 3.39Å; F87-F140 PolarHBondContact O-N 3.48Å; W89-F140 HydrophobicContact CZ2-CD2 4.34Å; W89-F140 HydrophobicContact CZ2-CE2 4.07Å; W89-F140 AromaticContact NE1-CD2 3.81Å; W89-F140 PolarHBondContact NE1-O 3.29Å; P99-F140 HydrophobicContact CB-CD2 4.36Å; P99-F140 HydrophobicContact CB-CE2 3.9Å; F140-C142 VanDerWaalsContact C-N 3.29Å; F140-C142 PolarHBondContact O-N 3.14Å; F140-A145 WeakPolarHBondContact O-CB 3.49Å; F140-L164 HydrophobicContact CE2-CD2 3.7Å; F140-L164 HydrophobicContact CZ-CD2 3.55Å; F140-I167 HydrophobicContact CD2-CD1 4.43Å; F140-I167 HydrophobicContact CE1-CG2 3.99Å; F140-I167 HydrophobicContact CE2-CD1 3.66Å; F140-I167 HydrophobicContact CZ-CB 4.47Å; F140-I167 HydrophobicContact CZ-CD1 3.73Å; F140-I167 HydrophobicContact CZ-CG2 4.06Å |
| 141 | D | 89.9 | Confident | 90.2 | Very high | 110 Ų | 110 | 73.3 Ų | 73.3 | 59% | 0.588 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 49.9 | 178.3 | -55.8 | -42 | 0 | 0 | 0 | 111.3 | P139 R171 | P139-D141 PolarHBondContact O-N 3.14Å; D141-R171 IonicContact OD1-CZ 2.96Å; D141-R171 IonicContact OD1-NH1 3.41Å; D141-R171 PolarHBondContact OD1-NH1 3.07Å; D141-R171 IonicContact OD1-NH2 2.74Å; D141-R171 IonicContact OD2-CZ 2.63Å; D141-R171 IonicContact OD2-NH1 2.62Å; D141-R171 PolarHBondContact OD2-NH1 3.3Å; D141-R171 IonicContact OD2-NH2 3.47Å; D141-R171 PolarHBondContact OD2-NH2 3.16Å |
| 142 | C | 89.9 | Confident | 90.3 | Very high | 30 Ų | 30 | 69.1 Ų | 69.1 | 20% | 0.203 | 34% | 0.336 | C | S | . | . | trans | -90.6 | 159 | 177.6 | 65.9 | 0 | 0 | 0 | 0 | 112.8 | P139 F140 E144 A145 | P139-C142 WeakPolarHBondContact O-CB 3.46Å; P139-C142 PolarHBondContact O-N 3.37Å; P139-C142 PolarHBondContact O-SG 3.34Å; F140-C142 VanDerWaalsContact C-N 3.29Å; F140-C142 PolarHBondContact O-N 3.14Å; C142-E144 PolarHBondContact O-N 3.19Å; C142-E144 VanDerWaalsContact O-N 3.15Å; C142-A145 WeakPolarHBondContact O-CB 3.46Å; C142-A145 PolarHBondContact O-N 3.05Å | ||
| 143 | E | 90.9 | Very high | 90.4 | Very high | 184 Ų | 184 | 72 Ų | 72 | 86% | 0.86 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -34.4 | 177.6 | -64.9 | -179.5 | -177.7 | 0 | 0 | 112.8 | A145 | E143-A145 VanDerWaalsContact C-N 3.29Å; E143-A145 PolarHBondContact O-N 3.37Å |
| 144 | E | 91.6 | Very high | 90.5 | Very high | 88 Ų | 88 | 77.3 Ų | 77.3 | 41% | 0.411 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 1.3 | 179.9 | -58.3 | 172.8 | -144.5 | 0 | 0 | 113.6 | K138 C142 D146 E147 L148 | K138-E144 IonicContact NZ-OE1 3.4Å; K138-E144 IonicContact NZ-OE2 3.43Å; K138-E144 PolarHBondContact NZ-OE2 2.83Å; C142-E144 PolarHBondContact O-N 3.19Å; C142-E144 VanDerWaalsContact O-N 3.15Å; E144-D146 VanDerWaalsContact C-N 3.27Å; E144-D146 PolarHBondContact O-N 2.88Å; E144-E147 PolarHBondContact O-N 3.12Å; E144-E147 VanDerWaalsContact O-N 3.1Å; E144-L148 WeakPolarHBondContact O-CG 3.31Å; E144-L148 PolarHBondContact O-N 2.83Å |
| 145 | A | 89.9 | Confident | 90.4 | Very high | 19 Ų | 19 | 78.9 Ų | 78.9 | 16% | 0.157 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.7 | -38.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | W89 F140 C142 E143 L148 M149 | W89-A145 HydrophobicContact CZ2-CB 4.4Å; F140-A145 WeakPolarHBondContact O-CB 3.49Å; C142-A145 WeakPolarHBondContact O-CB 3.46Å; C142-A145 PolarHBondContact O-N 3.05Å; E143-A145 VanDerWaalsContact C-N 3.29Å; E143-A145 PolarHBondContact O-N 3.37Å; A145-L148 PolarHBondContact O-N 2.86Å; A145-M149 WeakPolarHBondContact O-CB 3.38Å; A145-M149 PolarHBondContact O-N 3.27Å |
| 146 | D | 91.7 | Very high | 90.4 | Very high | 107 Ų | 107 | 70.1 Ų | 70.1 | 57% | 0.572 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.3 | -38.9 | 178.1 | -71.2 | -37.2 | 0 | 0 | 0 | 112.4 | E144 M149 Q150 | E144-D146 VanDerWaalsContact C-N 3.27Å; E144-D146 PolarHBondContact O-N 2.88Å; D146-M149 PolarHBondContact O-N 2.87Å; D146-Q150 WeakPolarHBondContact O-CG 3.48Å; D146-Q150 PolarHBondContact O-N 2.95Å |
| 147 | E | 93.8 | Very high | 90.4 | Very high | 133 Ų | 133 | 74.6 Ų | 74.6 | 62% | 0.621 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66.8 | -42.4 | 175.9 | -60.3 | -176.5 | 176.4 | 0 | 0 | 111.2 | E144 M149 Q150 K151 | E144-E147 PolarHBondContact O-N 3.12Å; E144-E147 VanDerWaalsContact O-N 3.1Å; E147-M149 VanDerWaalsContact C-N 3.31Å; E147-M149 PolarHBondContact O-N 3.34Å; E147-Q150 PolarHBondContact O-N 2.85Å; E147-K151 WeakPolarHBondContact O-CB 3.35Å; E147-K151 PolarHBondContact O-N 3.3Å |
| 148 | L | 92.2 | Very high | 90.3 | Very high | 12 Ų | 12 | 76.7 Ų | 76.7 | 6% | 0.063 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 176 | -61.7 | -177.8 | 0 | 0 | 0 | 111.1 | W89 Y97 K138 E144 A145 A152 | W89-L148 HydrophobicContact CB-CD1 3.84Å; W89-L148 HydrophobicContact CD2-CB 4.21Å; W89-L148 HydrophobicContact CD2-CD1 3.98Å; W89-L148 HydrophobicContact CE3-CB 4.08Å; W89-L148 HydrophobicContact CE3-CD1 4.46Å; W89-L148 HydrophobicContact CG-CD1 3.66Å; W89-L148 HydrophobicContact CZ3-CB 4.25Å; Y97-L148 HydrophobicContact CD1-CD1 4.4Å; Y97-L148 HydrophobicContact CD2-CD2 3.51Å; Y97-L148 HydrophobicContact CE2-CD2 4.16Å; Y97-L148 HydrophobicContact CG-CD1 4.15Å; Y97-L148 HydrophobicContact CG-CD2 3.78Å; Y97-L148 HydrophobicContact CG-CG 4.49Å; K138-L148 HydrophobicContact CD-CD1 4.01Å; E144-L148 WeakPolarHBondContact O-CG 3.31Å; E144-L148 PolarHBondContact O-N 2.83Å; A145-L148 PolarHBondContact O-N 2.86Å; L148-A152 WeakPolarHBondContact O-CB 3.39Å; L148-A152 PolarHBondContact O-N 3.03Å |
| 149 | M | 91.7 | Very high | 90.1 | Very high | 35 Ų | 35 | 74.3 Ų | 74.3 | 17% | 0.172 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.5 | -50.7 | 173.9 | 173.7 | -173.8 | 55.8 | 0 | 0 | 111.3 | W89 A145 D146 E147 K151 A152 K153 L164 | W89-M149 HydrophobicContact CH2-CB 4.15Å; A145-M149 WeakPolarHBondContact O-CB 3.38Å; A145-M149 PolarHBondContact O-N 3.27Å; D146-M149 PolarHBondContact O-N 2.87Å; E147-M149 VanDerWaalsContact C-N 3.31Å; E147-M149 PolarHBondContact O-N 3.34Å; M149-K151 VanDerWaalsContact C-N 3.32Å; M149-K151 PolarHBondContact O-N 2.87Å; M149-A152 PolarHBondContact O-N 2.76Å; M149-A152 VanDerWaalsContact O-N 3.15Å; M149-K153 HydrophobicContact CG-CD 4.14Å; M149-K153 HydrophobicContact CG-CG 4.38Å; M149-K153 WeakPolarHBondContact O-CG 3.3Å; M149-K153 PolarHBondContact O-N 2.85Å; M149-L164 HydrophobicContact CB-CD1 4.49Å; M149-L164 HydrophobicContact CG-CD1 3.78Å; M149-L164 HydrophobicContact SD-CD1 3.6Å |
| 150 | Q | 92.1 | Very high | 90 | Very high | 121 Ų | 121 | 72.6 Ų | 72.6 | 57% | 0.565 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.8 | -44.4 | -178.6 | -74.9 | -179.7 | 15.4 | 0 | 0 | 111.3 | D146 E147 A152 K153 E154 | D146-Q150 WeakPolarHBondContact O-CG 3.48Å; D146-Q150 PolarHBondContact O-N 2.95Å; E147-Q150 PolarHBondContact O-N 2.85Å; Q150-A152 VanDerWaalsContact C-N 3.3Å; Q150-A152 PolarHBondContact O-N 2.78Å; Q150-K153 WeakPolarHBondContact O-CB 3.43Å; Q150-K153 PolarHBondContact O-N 3.48Å; Q150-E154 PolarHBondContact O-N 3.2Å; Q150-E154 VanDerWaalsContact O-N 3.15Å |
| 151 | K | 91.1 | Very high | 90 | Very high | 116 Ų | 116 | 73.4 Ų | 73.4 | 50% | 0.504 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.5 | -36.2 | 176 | -171.7 | 170.5 | -172 | 162.5 | 0 | 113.2 | E147 M149 | E147-K151 WeakPolarHBondContact O-CB 3.35Å; E147-K151 PolarHBondContact O-N 3.3Å; M149-K151 VanDerWaalsContact C-N 3.32Å; M149-K151 PolarHBondContact O-N 2.87Å |
| 152 | A | 89.3 | Confident | 90.1 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -71.7 | -35.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | P96 W98 L148 M149 Q150 E154 S155 Y156 I160 | P96-A152 HydrophobicContact CB-CB 4.27Å; P96-A152 HydrophobicContact CG-CB 4.24Å; W98-A152 HydrophobicContact CE3-CB 4.23Å; W98-A152 HydrophobicContact CZ3-CB 4.05Å; L148-A152 WeakPolarHBondContact O-CB 3.39Å; L148-A152 PolarHBondContact O-N 3.03Å; M149-A152 PolarHBondContact O-N 2.76Å; M149-A152 VanDerWaalsContact O-N 3.15Å; Q150-A152 VanDerWaalsContact C-N 3.3Å; Q150-A152 PolarHBondContact O-N 2.78Å; A152-E154 VanDerWaalsContact C-N 3.32Å; A152-E154 PolarHBondContact O-N 3.47Å; A152-S155 PolarHBondContact O-N 3.34Å; A152-Y156 PolarHBondContact O-N 2.9Å; A152-I160 HydrophobicContact CB-CB 4.16Å; A152-I160 HydrophobicContact CB-CD1 4.04Å; A152-I160 HydrophobicContact CB-CG1 3.83Å; A152-I160 HydrophobicContact CB-CG2 4.43Å |
| 153 | K | 89.8 | Confident | 90.2 | Very high | 75 Ų | 75 | 67 Ų | 67 | 33% | 0.326 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.9 | -35.6 | 177.7 | -76.7 | -179.8 | 174.5 | 179.6 | 0 | 112.7 | M149 Q150 S155 Y156 E157 I160 | M149-K153 HydrophobicContact CG-CD 4.14Å; M149-K153 HydrophobicContact CG-CG 4.38Å; M149-K153 WeakPolarHBondContact O-CG 3.3Å; M149-K153 PolarHBondContact O-N 2.85Å; Q150-K153 WeakPolarHBondContact O-CB 3.43Å; Q150-K153 PolarHBondContact O-N 3.48Å; K153-S155 PolarHBondContact O-N 3.39Å; K153-S155 VanDerWaalsContact O-N 3.13Å; K153-Y156 PolarHBondContact O-N 3.07Å; K153-E157 HydrophobicContact CG-CG 4.46Å; K153-E157 WeakPolarHBondContact O-CB 3.43Å; K153-E157 PolarHBondContact O-N 2.97Å; K153-E157 VanDerWaalsContact O-N 3.16Å; K153-I160 HydrophobicContact CB-CG2 4.3Å; K153-I160 HydrophobicContact CG-CG2 3.46Å; K153-I160 VanDerWaalsContact CG-CG2 3.46Å |
| 154 | E | 90.1 | Very high | 90.3 | Very high | 159 Ų | 159 | 59.9 Ų | 59.9 | 74% | 0.743 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -52.5 | -36.6 | 177.1 | -69.7 | 172 | -171.9 | 0 | 0 | 113.4 | Q150 A152 | Q150-E154 PolarHBondContact O-N 3.2Å; Q150-E154 VanDerWaalsContact O-N 3.15Å; A152-E154 VanDerWaalsContact C-N 3.32Å; A152-E154 PolarHBondContact O-N 3.47Å |
| 155 | S | 83.4 | Confident | 90.4 | Very high | 77 Ų | 77 | 59.5 Ų | 59.5 | 54% | 0.538 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -108.6 | -26.6 | -176.5 | -61.4 | 0 | 0 | 0 | 0 | 113.6 | A152 K153 | A152-S155 PolarHBondContact O-N 3.34Å; K153-S155 PolarHBondContact O-N 3.39Å; K153-S155 VanDerWaalsContact O-N 3.13Å |
| 156 | Y | 85.7 | Confident | 90.6 | Very high | 47 Ų | 47 | 58.6 Ų | 58.6 | 18% | 0.184 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -144.6 | 38.7 | -166.3 | -57.1 | -75.9 | 0 | 0 | 0 | 113.5 | Y95 P96 W98 A152 K153 A158 A159 I160 R206 L207 | Y95-Y156 HydrophobicContact CD1-CE2 4.3Å; Y95-Y156 WeakPolarHBondContact CE1-OH 3.41Å; P96-Y156 HydrophobicContact CG-CD2 4.2Å; P96-Y156 HydrophobicContact CG-CE2 4.36Å; W98-Y156 HydrophobicContact CZ3-CD2 4.32Å; W98-Y156 HydrophobicContact CZ3-CG 4.3Å; A152-Y156 PolarHBondContact O-N 2.9Å; K153-Y156 PolarHBondContact O-N 3.07Å; Y156-A158 PolarHBondContact O-N 2.88Å; Y156-A159 PolarHBondContact O-N 3.04Å; Y156-A159 VanDerWaalsContact O-N 3.08Å; Y156-I160 WeakPolarHBondContact O-CG2 3.33Å; Y156-I160 PolarHBondContact O-N 3.07Å; Y156-R206 HydrophobicContact CE1-CB 4.11Å; Y156-L207 HydrophobicContact CD1-CD1 4.36Å; Y156-L207 HydrophobicContact CD1-CD2 3.39Å; Y156-L207 HydrophobicContact CD1-CG 3.72Å; Y156-L207 HydrophobicContact CD2-CD2 4.03Å; Y156-L207 HydrophobicContact CE1-CD2 3.49Å; Y156-L207 VanDerWaalsContact CE1-CD2 3.49Å; Y156-L207 HydrophobicContact CE1-CG 3.91Å; Y156-L207 HydrophobicContact CE2-CD2 4.14Å; Y156-L207 HydrophobicContact CG-CD2 3.67Å; Y156-L207 HydrophobicContact CG-CG 4.37Å |
| 157 | E | 87.9 | Confident | 90.8 | Very high | 130 Ų | 130 | 53.5 Ų | 53.5 | 61% | 0.607 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -42.4 | -55.3 | -175 | -172.4 | 176.7 | -161.8 | 0 | 0 | 115.2 | K153 A159 I160 T161 | K153-E157 HydrophobicContact CG-CG 4.46Å; K153-E157 WeakPolarHBondContact O-CB 3.43Å; K153-E157 PolarHBondContact O-N 2.97Å; K153-E157 VanDerWaalsContact O-N 3.16Å; E157-A159 VanDerWaalsContact C-N 3.34Å; E157-A159 PolarHBondContact O-N 3.42Å; E157-I160 VanDerWaalsContact O-CG2 3.28Å; E157-I160 WeakPolarHBondContact O-CG2 3.42Å; E157-T161 VanDerWaalsContact O-CB 3.28Å; E157-T161 WeakPolarHBondContact O-CB 3.49Å; E157-T161 PolarHBondContact O-N 3.11Å; E157-T161 PolarHBondContact O-OG1 3.11Å |
| 158 | A | 88.3 | Confident | 90.8 | Very high | 55 Ų | 55 | 52.7 Ų | 52.7 | 46% | 0.455 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.4 | -40.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y156 W162 P200 | Y156-A158 PolarHBondContact O-N 2.88Å; A158-W162 WeakPolarHBondContact O-CB 3.26Å; A158-W162 PolarHBondContact O-N 3.41Å; A158-W162 VanDerWaalsContact O-N 3.08Å; A158-P200 HydrophobicContact CB-CB 3.88Å; A158-P200 HydrophobicContact CB-CG 3.94Å |
| 159 | A | 87.6 | Confident | 91 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -76.3 | -37 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | W98 Y156 E157 S163 P200 A203 L207 | W98-A159 HydrophobicContact CH2-CB 3.86Å; W98-A159 HydrophobicContact CZ2-CB 3.97Å; Y156-A159 PolarHBondContact O-N 3.04Å; Y156-A159 VanDerWaalsContact O-N 3.08Å; E157-A159 VanDerWaalsContact C-N 3.34Å; E157-A159 PolarHBondContact O-N 3.42Å; A159-S163 WeakPolarHBondContact O-CB 3.47Å; A159-S163 PolarHBondContact O-N 2.9Å; A159-S163 PolarHBondContact O-OG 3.14Å; A159-P200 HydrophobicContact CB-CG 4.34Å; A159-A203 HydrophobicContact CB-CB 4.01Å; A159-L207 HydrophobicContact CB-CD1 3.37Å |
| 160 | I | 90.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.2 | -43.7 | 175.9 | -173.6 | 64.8 | 0 | 0 | 0 | 110.4 | W89 W98 P99 A152 K153 Y156 E157 W162 S163 L164 | W89-I160 HydrophobicContact CH2-CD1 4.26Å; W89-I160 HydrophobicContact CZ3-CD1 3.99Å; W98-I160 HydrophobicContact CD2-CD1 4.34Å; W98-I160 HydrophobicContact CE3-CD1 4.1Å; W98-I160 HydrophobicContact CH2-CB 3.69Å; W98-I160 HydrophobicContact CH2-CD1 4.25Å; W98-I160 HydrophobicContact CZ2-CB 4.39Å; W98-I160 HydrophobicContact CZ2-CD1 4.45Å; W98-I160 HydrophobicContact CZ3-CB 3.88Å; W98-I160 HydrophobicContact CZ3-CD1 4.07Å; W98-I160 HydrophobicContact CZ3-CG1 4.46Å; P99-I160 VanDerWaalsContact CD-CD1 3.43Å; P99-I160 HydrophobicContact CG-CD1 3.89Å; A152-I160 HydrophobicContact CB-CB 4.16Å; A152-I160 HydrophobicContact CB-CD1 4.04Å; A152-I160 HydrophobicContact CB-CG1 3.83Å; A152-I160 HydrophobicContact CB-CG2 4.43Å; K153-I160 HydrophobicContact CB-CG2 4.3Å; K153-I160 HydrophobicContact CG-CG2 3.46Å; K153-I160 VanDerWaalsContact CG-CG2 3.46Å; Y156-I160 WeakPolarHBondContact O-CG2 3.33Å; Y156-I160 PolarHBondContact O-N 3.07Å; E157-I160 VanDerWaalsContact O-CG2 3.28Å; E157-I160 WeakPolarHBondContact O-CG2 3.42Å; I160-W162 PolarHBondContact O-N 3.46Å; I160-S163 PolarHBondContact O-N 3.01Å; I160-S163 VanDerWaalsContact O-N 3.14Å; I160-L164 HydrophobicContact CD1-CG 4.49Å; I160-L164 HydrophobicContact CG1-CD1 4.2Å; I160-L164 HydrophobicContact CG1-CG 4.48Å; I160-L164 WeakPolarHBondContact O-CG 3.37Å; I160-L164 PolarHBondContact O-N 3.39Å |
| 161 | T | 92.3 | Very high | 91.4 | Very high | 44 Ų | 44 | 52.8 Ų | 52.8 | 27% | 0.27 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.3 | -48.2 | 179.3 | -55.7 | 0 | 0 | 0 | 0 | 110.5 | E157 S163 L164 E165 | E157-T161 VanDerWaalsContact O-CB 3.28Å; E157-T161 WeakPolarHBondContact O-CB 3.49Å; E157-T161 PolarHBondContact O-N 3.11Å; E157-T161 PolarHBondContact O-OG1 3.11Å; T161-S163 VanDerWaalsContact C-N 3.33Å; T161-S163 PolarHBondContact O-N 3.39Å; T161-L164 PolarHBondContact O-N 3.4Å; T161-E165 WeakPolarHBondContact O-CG 3.41Å; T161-E165 PolarHBondContact O-N 3.27Å |
| 162 | W | 92.5 | Very high | 91.5 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 2% | 0.023 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 174.7 | 178.7 | 89.1 | 0 | 0 | 0 | 112.8 | V117 F121 A158 I160 L164 E165 F166 V195 Y199 | V117-W162 HydrophobicContact CG1-CZ3 4.42Å; F121-W162 HydrophobicContact CB-CH2 3.73Å; F121-W162 HydrophobicContact CB-CZ2 4.47Å; F121-W162 AromaticContact CD1-CH2 3.87Å; F121-W162 HydrophobicContact CD1-CH2 3.87Å; F121-W162 HydrophobicContact CD1-CZ2 4.02Å; F121-W162 AromaticContact CG-CH2 3.89Å; F121-W162 HydrophobicContact CG-CH2 3.89Å; F121-W162 HydrophobicContact CG-CZ2 4.17Å; A158-W162 WeakPolarHBondContact O-CB 3.26Å; A158-W162 PolarHBondContact O-N 3.41Å; A158-W162 VanDerWaalsContact O-N 3.08Å; I160-W162 PolarHBondContact O-N 3.46Å; W162-L164 VanDerWaalsContact C-N 3.3Å; W162-L164 PolarHBondContact O-N 2.9Å; W162-E165 PolarHBondContact O-N 3Å; W162-F166 HydrophobicContact CH2-CB 4.37Å; W162-F166 AromaticContact CH2-CD1 3.62Å; W162-F166 HydrophobicContact CH2-CD1 3.62Å; W162-F166 AromaticContact CH2-CE1 3.96Å; W162-F166 HydrophobicContact CH2-CE1 3.96Å; W162-F166 AromaticContact CH2-CG 3.98Å; W162-F166 HydrophobicContact CH2-CG 3.98Å; W162-F166 HydrophobicContact CZ2-CB 4.38Å; W162-F166 HydrophobicContact CZ2-CD1 4.05Å; W162-F166 HydrophobicContact CZ2-CD2 4.2Å; W162-F166 HydrophobicContact CZ2-CE1 4.34Å; W162-F166 HydrophobicContact CZ2-CE2 4.45Å; W162-F166 AromaticContact CZ2-CG 3.99Å; W162-F166 HydrophobicContact CZ2-CG 3.99Å; W162-F166 HydrophobicContact CZ3-CB 4.46Å; W162-F166 HydrophobicContact CZ3-CD1 4.16Å; W162-F166 HydrophobicContact CZ3-CG 4.49Å; W162-F166 VanDerWaalsContact O-CB 3.28Å; W162-F166 WeakPolarHBondContact O-CB 3.34Å; W162-F166 PolarHBondContact O-N 3Å; W162-V195 PolarHBondContact NE1-O 3.38Å; W162-Y199 AromaticContact CD2-CD2 3.49Å; W162-Y199 HydrophobicContact CD2-CD2 3.49Å; W162-Y199 VanDerWaalsContact CD2-CD2 3.49Å; W162-Y199 HydrophobicContact CD2-CE2 4.21Å; W162-Y199 HydrophobicContact CD2-CG 4.48Å; W162-Y199 AromaticContact CE2-CD2 3.56Å; W162-Y199 AromaticContact CE3-CD2 3.51Å; W162-Y199 HydrophobicContact CE3-CD2 3.51Å; W162-Y199 AromaticContact CE3-CE2 3.75Å; W162-Y199 HydrophobicContact CE3-CE2 3.75Å; W162-Y199 HydrophobicContact CG-CD2 4.18Å; W162-Y199 AromaticContact CH2-CD2 3.71Å; W162-Y199 HydrophobicContact CH2-CD2 3.71Å; W162-Y199 HydrophobicContact CH2-CE2 4.14Å; W162-Y199 AromaticContact CZ2-CD2 3.68Å; W162-Y199 HydrophobicContact CZ2-CD2 3.68Å; W162-Y199 HydrophobicContact CZ2-CG 4.3Å; W162-Y199 AromaticContact CZ3-CD2 3.63Å; W162-Y199 HydrophobicContact CZ3-CD2 3.63Å; W162-Y199 AromaticContact CZ3-CE2 3.73Å; W162-Y199 HydrophobicContact CZ3-CE2 3.73Å |
| 163 | S | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.9 | -38.5 | -179.6 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | A159 I160 T161 I167 | A159-S163 WeakPolarHBondContact O-CB 3.47Å; A159-S163 PolarHBondContact O-N 2.9Å; A159-S163 PolarHBondContact O-OG 3.14Å; I160-S163 PolarHBondContact O-N 3.01Å; I160-S163 VanDerWaalsContact O-N 3.14Å; T161-S163 VanDerWaalsContact C-N 3.33Å; T161-S163 PolarHBondContact O-N 3.39Å; S163-I167 WeakPolarHBondContact O-CG1 3.36Å; S163-I167 PolarHBondContact O-N 3.46Å |
| 164 | L | 93.4 | Very high | 92.1 | Very high | 34 Ų | 34 | 53.8 Ų | 53.8 | 18% | 0.178 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.8 | -48 | 176.7 | -65.6 | 173.5 | 0 | 0 | 0 | 111.5 | W89 F140 M149 I160 T161 W162 F166 I167 E168 | W89-L164 HydrophobicContact CH2-CD2 4.07Å; W89-L164 HydrophobicContact CZ2-CD2 4.24Å; F140-L164 HydrophobicContact CE2-CD2 3.7Å; F140-L164 HydrophobicContact CZ-CD2 3.55Å; M149-L164 HydrophobicContact CB-CD1 4.49Å; M149-L164 HydrophobicContact CG-CD1 3.78Å; M149-L164 HydrophobicContact SD-CD1 3.6Å; I160-L164 HydrophobicContact CD1-CG 4.49Å; I160-L164 HydrophobicContact CG1-CD1 4.2Å; I160-L164 HydrophobicContact CG1-CG 4.48Å; I160-L164 WeakPolarHBondContact O-CG 3.37Å; I160-L164 PolarHBondContact O-N 3.39Å; T161-L164 PolarHBondContact O-N 3.4Å; W162-L164 VanDerWaalsContact C-N 3.3Å; W162-L164 PolarHBondContact O-N 2.9Å; L164-F166 PolarHBondContact O-N 2.97Å; L164-I167 PolarHBondContact O-N 2.72Å; L164-E168 WeakPolarHBondContact O-CB 3.42Å; L164-E168 PolarHBondContact O-N 2.82Å |
| 165 | E | 94.2 | Very high | 92.3 | Very high | 79 Ų | 79 | 50.3 Ų | 50.3 | 37% | 0.369 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -55.9 | -36.8 | 174.5 | -73.3 | -180 | -175.5 | 0 | 0 | 111.6 | T161 W162 E168 D169 | T161-E165 WeakPolarHBondContact O-CG 3.41Å; T161-E165 PolarHBondContact O-N 3.27Å; W162-E165 PolarHBondContact O-N 3Å; E165-E168 PolarHBondContact O-N 2.74Å; E165-D169 WeakPolarHBondContact O-CB 3.33Å; E165-D169 PolarHBondContact O-N 2.83Å |
| 166 | F | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.9 | -37.9 | -179.2 | -161.6 | -133.8 | 0 | 0 | 0 | 113.3 | V117 F121 W162 L164 Y170 F183 Y186 C187 V195 R196 | V117-F166 HydrophobicContact CG1-CD1 3.98Å; F121-F166 HydrophobicContact CB-CE1 4.4Å; W162-F166 HydrophobicContact CH2-CB 4.37Å; W162-F166 AromaticContact CH2-CD1 3.62Å; W162-F166 HydrophobicContact CH2-CD1 3.62Å; W162-F166 AromaticContact CH2-CE1 3.96Å; W162-F166 HydrophobicContact CH2-CE1 3.96Å; W162-F166 AromaticContact CH2-CG 3.98Å; W162-F166 HydrophobicContact CH2-CG 3.98Å; W162-F166 HydrophobicContact CZ2-CB 4.38Å; W162-F166 HydrophobicContact CZ2-CD1 4.05Å; W162-F166 HydrophobicContact CZ2-CD2 4.2Å; W162-F166 HydrophobicContact CZ2-CE1 4.34Å; W162-F166 HydrophobicContact CZ2-CE2 4.45Å; W162-F166 AromaticContact CZ2-CG 3.99Å; W162-F166 HydrophobicContact CZ2-CG 3.99Å; W162-F166 HydrophobicContact CZ3-CB 4.46Å; W162-F166 HydrophobicContact CZ3-CD1 4.16Å; W162-F166 HydrophobicContact CZ3-CG 4.49Å; W162-F166 VanDerWaalsContact O-CB 3.28Å; W162-F166 WeakPolarHBondContact O-CB 3.34Å; W162-F166 PolarHBondContact O-N 3Å; L164-F166 PolarHBondContact O-N 2.97Å; F166-Y170 PolarHBondContact O-N 3.37Å; F166-F183 HydrophobicContact CD1-CE2 4.2Å; F166-F183 AromaticContact CD1-CZ 3.63Å; F166-F183 HydrophobicContact CD1-CZ 3.63Å; F166-F183 HydrophobicContact CE1-CE2 4.41Å; F166-F183 AromaticContact CE1-CZ 3.89Å; F166-F183 HydrophobicContact CE1-CZ 3.89Å; F166-F183 HydrophobicContact CG-CZ 4.49Å; F166-Y186 AromaticContact CD2-CE1 3.94Å; F166-Y186 HydrophobicContact CD2-CE1 3.94Å; F166-Y186 HydrophobicContact CE1-CE1 4.41Å; F166-Y186 AromaticContact CE2-CE1 3.57Å; F166-Y186 HydrophobicContact CE2-CE1 3.57Å; F166-Y186 AromaticContact CE2-CZ 4Å; F166-Y186 HydrophobicContact CZ-CD1 4.36Å; F166-Y186 AromaticContact CZ-CE1 3.82Å; F166-Y186 HydrophobicContact CZ-CE1 3.82Å; F166-C187 HydrophobicContact CE1-CB 4.49Å; F166-C187 HydrophobicContact CZ-CB 4.49Å; F166-V195 HydrophobicContact CB-CG1 4.07Å; F166-V195 HydrophobicContact CD2-CB 3.72Å; F166-V195 HydrophobicContact CD2-CG1 3.53Å; F166-V195 HydrophobicContact CE2-CB 4.17Å; F166-V195 HydrophobicContact CE2-CG1 4.39Å; F166-V195 HydrophobicContact CG-CG1 4.25Å; F166-R196 HydrophobicContact CE2-CG 3.68Å; F166-R196 HydrophobicContact CZ-CG 3.72Å |
| 167 | I | 94.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67 | -43.2 | 171.9 | -67.4 | 168.3 | 0 | 0 | 0 | 110.2 | F87 P99 V117 F140 S163 L164 Y170 R171 F183 | F87-I167 HydrophobicContact CD1-CD1 3.87Å; F87-I167 HydrophobicContact CD1-CG1 3.95Å; F87-I167 HydrophobicContact CD1-CG2 4.3Å; F87-I167 HydrophobicContact CD2-CG2 3.86Å; F87-I167 HydrophobicContact CE1-CD1 4.18Å; F87-I167 HydrophobicContact CE1-CG1 3.75Å; F87-I167 HydrophobicContact CE1-CG2 4.27Å; F87-I167 HydrophobicContact CE2-CG2 3.83Å; F87-I167 HydrophobicContact CG-CD1 4.36Å; F87-I167 HydrophobicContact CG-CG2 4.09Å; F87-I167 HydrophobicContact CZ-CG1 4.18Å; F87-I167 HydrophobicContact CZ-CG2 4.03Å; P99-I167 HydrophobicContact CB-CD1 3.82Å; V117-I167 HydrophobicContact CG1-CG1 4.24Å; V117-I167 HydrophobicContact CG2-CD1 3.7Å; V117-I167 HydrophobicContact CG2-CG1 3.96Å; F140-I167 HydrophobicContact CD2-CD1 4.43Å; F140-I167 HydrophobicContact CE1-CG2 3.99Å; F140-I167 HydrophobicContact CE2-CD1 3.66Å; F140-I167 HydrophobicContact CZ-CB 4.47Å; F140-I167 HydrophobicContact CZ-CD1 3.73Å; F140-I167 HydrophobicContact CZ-CG2 4.06Å; S163-I167 WeakPolarHBondContact O-CG1 3.36Å; S163-I167 PolarHBondContact O-N 3.46Å; L164-I167 PolarHBondContact O-N 2.72Å; I167-Y170 WeakPolarHBondContact O-CB 3.43Å; I167-Y170 PolarHBondContact O-N 3.29Å; I167-R171 HydrophobicContact CG2-CG 4.33Å; I167-R171 WeakPolarHBondContact O-CG 3.28Å; I167-R171 PolarHBondContact O-N 3.26Å; I167-F183 HydrophobicContact CG1-CZ 4.45Å |
| 168 | E | 95.3 | Very high | 93.5 | Very high | 115 Ų | 115 | 49 Ų | 49 | 54% | 0.537 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | -179.3 | -169.7 | 178.4 | -173.1 | 0 | 0 | 111.4 | L164 E165 Y170 R171 M172 | L164-E168 WeakPolarHBondContact O-CB 3.42Å; L164-E168 PolarHBondContact O-N 2.82Å; E165-E168 PolarHBondContact O-N 2.74Å; E168-Y170 VanDerWaalsContact C-N 3.3Å; E168-Y170 PolarHBondContact O-N 3.49Å; E168-R171 PolarHBondContact O-N 3.15Å; E168-R171 VanDerWaalsContact O-N 3.13Å; E168-M172 HydrophobicContact CG-CE 4.18Å; E168-M172 HydrophobicContact CG-CG 4.47Å; E168-M172 WeakPolarHBondContact O-CB 3.46Å; E168-M172 WeakPolarHBondContact O-CG 3.28Å; E168-M172 PolarHBondContact O-N 2.97Å |
| 169 | D | 96 | Very high | 93.8 | Very high | 26 Ų | 26 | 47.4 Ų | 47.4 | 14% | 0.139 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 177.1 | -170.3 | 86.1 | 0 | 0 | 0 | 111.8 | E165 M172 R173 Y186 V195 | E165-D169 WeakPolarHBondContact O-CB 3.33Å; E165-D169 PolarHBondContact O-N 2.83Å; D169-M172 HydrophobicContact CB-CE 4.37Å; D169-M172 PolarHBondContact O-N 3.21Å; D169-R173 VanDerWaalsContact O-CG 3.28Å; D169-R173 WeakPolarHBondContact O-CG 3.12Å; D169-R173 PolarHBondContact O-N 3.39Å; D169-R173 IonicContact OD1-CZ 2.86Å; D169-R173 IonicContact OD1-NE 3.79Å; D169-R173 IonicContact OD1-NH2 3.18Å; D169-R173 PolarHBondContact OD1-NH2 3.19Å; D169-R173 VanDerWaalsContact OD1-NH2 3.13Å; D169-R173 IonicContact OD2-CZ 3.48Å; D169-R173 VanDerWaalsContact OD2-CZ 3.23Å; D169-R173 IonicContact OD2-NE 3.22Å; D169-R173 PolarHBondContact OD2-NE 2.86Å; D169-R173 IonicContact OD2-NH2 3.19Å; D169-R173 PolarHBondContact OD2-NH2 3.14Å; D169-Y186 PolarHBondContact OD2-OH 2.97Å; D169-V195 HydrophobicContact CB-CG2 3.82Å |
| 170 | Y | 95.6 | Very high | 94 | Very high | 35 Ų | 35 | 53.3 Ų | 53.3 | 14% | 0.137 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.8 | -51 | 172 | 169 | -109.4 | 0 | 0 | 0 | 112.3 | F87 F166 I167 E168 M172 R173 I174 F179 G181 F183 Y186 | F87-Y170 AromaticContact CE2-CD1 3.83Å; F87-Y170 HydrophobicContact CE2-CD1 3.83Å; F87-Y170 AromaticContact CE2-CE1 3.9Å; F87-Y170 HydrophobicContact CE2-CE1 3.9Å; F87-Y170 AromaticContact CZ-CD1 3.83Å; F87-Y170 HydrophobicContact CZ-CD1 3.83Å; F87-Y170 HydrophobicContact CZ-CE1 4.06Å; F166-Y170 PolarHBondContact O-N 3.37Å; I167-Y170 WeakPolarHBondContact O-CB 3.43Å; I167-Y170 PolarHBondContact O-N 3.29Å; E168-Y170 VanDerWaalsContact C-N 3.3Å; E168-Y170 PolarHBondContact O-N 3.49Å; Y170-M172 VanDerWaalsContact C-N 3.3Å; Y170-M172 PolarHBondContact O-N 2.99Å; Y170-R173 PolarHBondContact O-N 2.97Å; Y170-R173 VanDerWaalsContact O-N 3.16Å; Y170-I174 HydrophobicContact CD2-CG1 4.07Å; Y170-I174 HydrophobicContact CE1-CG1 4.24Å; Y170-I174 HydrophobicContact CE2-CD1 3.8Å; Y170-I174 HydrophobicContact CE2-CG1 3.66Å; Y170-I174 WeakPolarHBondContact O-CG1 3.12Å; Y170-I174 PolarHBondContact O-N 2.93Å; Y170-F179 HydrophobicContact CD2-CD1 4.29Å; Y170-F179 HydrophobicContact CD2-CE1 4.41Å; Y170-F179 HydrophobicContact CE2-CD1 4.05Å; Y170-F179 AromaticContact CE2-CE1 3.99Å; Y170-F179 HydrophobicContact CE2-CE1 3.99Å; Y170-G181 PolarHBondContact OH-O 2.92Å; Y170-F183 HydrophobicContact CD1-CB 4.36Å; Y170-F183 AromaticContact CD1-CD2 3.63Å; Y170-F183 HydrophobicContact CD1-CD2 3.63Å; Y170-F183 HydrophobicContact CD1-CE2 4.4Å; Y170-F183 HydrophobicContact CD1-CG 4.44Å; Y170-F183 AromaticContact CD2-CD2 3.97Å; Y170-F183 HydrophobicContact CD2-CD2 3.97Å; Y170-F183 HydrophobicContact CE1-CB 4.04Å; Y170-F183 HydrophobicContact CE1-CD2 4.18Å; Y170-F183 HydrophobicContact CE2-CB 4.27Å; Y170-F183 HydrophobicContact CE2-CD2 4.47Å; Y170-F183 AromaticContact CG-CD2 3.5Å; Y170-F183 HydrophobicContact CG-CD2 3.5Å; Y170-F183 HydrophobicContact CG-CE2 4.16Å; Y170-F183 PolarHBondContact OH-N 2.89Å; Y170-Y186 AromaticContact CD2-CD1 3.9Å; Y170-Y186 HydrophobicContact CD2-CD1 3.9Å; Y170-Y186 HydrophobicContact CD2-CD2 4.32Å; Y170-Y186 AromaticContact CD2-CG 3.67Å; Y170-Y186 HydrophobicContact CD2-CG 3.67Å; Y170-Y186 HydrophobicContact CG-CD1 4.17Å; Y170-Y186 HydrophobicContact CG-CG 4.37Å |
| 171 | R | 95.2 | Very high | 94.1 | Very high | 109 Ų | 109 | 54 Ų | 54 | 41% | 0.411 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 180 | -73.3 | 177 | 82.1 | 164.7 | 10.3 | 111.2 | D141 I167 E168 I174 A175 | D141-R171 IonicContact OD1-CZ 2.96Å; D141-R171 IonicContact OD1-NH1 3.41Å; D141-R171 PolarHBondContact OD1-NH1 3.07Å; D141-R171 IonicContact OD1-NH2 2.74Å; D141-R171 IonicContact OD2-CZ 2.63Å; D141-R171 IonicContact OD2-NH1 2.62Å; D141-R171 PolarHBondContact OD2-NH1 3.3Å; D141-R171 IonicContact OD2-NH2 3.47Å; D141-R171 PolarHBondContact OD2-NH2 3.16Å; I167-R171 HydrophobicContact CG2-CG 4.33Å; I167-R171 WeakPolarHBondContact O-CG 3.28Å; I167-R171 PolarHBondContact O-N 3.26Å; E168-R171 PolarHBondContact O-N 3.15Å; E168-R171 VanDerWaalsContact O-N 3.13Å; R171-I174 PolarHBondContact O-N 3.06Å; R171-A175 VanDerWaalsContact O-CB 3.3Å; R171-A175 WeakPolarHBondContact O-CB 3.24Å; R171-A175 PolarHBondContact O-N 3.12Å |
| 172 | M | 95 | Very high | 94.1 | Very high | 93 Ų | 93 | 54.3 Ų | 54.3 | 46% | 0.458 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 175.7 | -73.3 | -169.6 | -66.4 | 0 | 0 | 111.7 | E168 D169 Y170 I174 A175 C176 | E168-M172 HydrophobicContact CG-CE 4.18Å; E168-M172 HydrophobicContact CG-CG 4.47Å; E168-M172 WeakPolarHBondContact O-CB 3.46Å; E168-M172 WeakPolarHBondContact O-CG 3.28Å; E168-M172 PolarHBondContact O-N 2.97Å; D169-M172 HydrophobicContact CB-CE 4.37Å; D169-M172 PolarHBondContact O-N 3.21Å; Y170-M172 VanDerWaalsContact C-N 3.3Å; Y170-M172 PolarHBondContact O-N 2.99Å; M172-I174 VanDerWaalsContact C-N 3.35Å; M172-I174 PolarHBondContact O-N 2.91Å; M172-A175 PolarHBondContact O-N 3.15Å; M172-C176 WeakPolarHBondContact O-CB 3.29Å; M172-C176 PolarHBondContact O-N 3.42Å; M172-C176 PolarHBondContact O-SG 3.33Å |
| 173 | R | 95.1 | Very high | 94 | Very high | 53 Ų | 53 | 54.2 Ų | 54.2 | 20% | 0.2 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 180 | -73.8 | 179.3 | -165 | -66.9 | -18.2 | 113.2 | D169 Y170 G177 S178 F179 M191 | D169-R173 VanDerWaalsContact O-CG 3.28Å; D169-R173 WeakPolarHBondContact O-CG 3.12Å; D169-R173 PolarHBondContact O-N 3.39Å; D169-R173 IonicContact OD1-CZ 2.86Å; D169-R173 IonicContact OD1-NE 3.79Å; D169-R173 IonicContact OD1-NH2 3.18Å; D169-R173 PolarHBondContact OD1-NH2 3.19Å; D169-R173 VanDerWaalsContact OD1-NH2 3.13Å; D169-R173 IonicContact OD2-CZ 3.48Å; D169-R173 VanDerWaalsContact OD2-CZ 3.23Å; D169-R173 IonicContact OD2-NE 3.22Å; D169-R173 PolarHBondContact OD2-NE 2.86Å; D169-R173 IonicContact OD2-NH2 3.19Å; D169-R173 PolarHBondContact OD2-NH2 3.14Å; Y170-R173 PolarHBondContact O-N 2.97Å; Y170-R173 VanDerWaalsContact O-N 3.16Å; R173-G177 PolarHBondContact O-N 3.08Å; R173-S178 WeakPolarHBondContact CA-OG 3.38Å; R173-S178 VanDerWaalsContact CB-OG 3.31Å; R173-S178 WeakPolarHBondContact CB-OG 3.3Å; R173-S178 WeakPolarHBondContact CG-OG 3.42Å; R173-S178 PolarHBondContact O-N 3.11Å; R173-S178 PolarHBondContact O-OG 2.74Å; R173-F179 HydrophobicContact CB-CB 3.81Å; R173-F179 PolarHBondContact O-N 3.23Å; R173-M191 VanDerWaalsContact CZ-O 3.24Å; R173-M191 PolarHBondContact NE-O 2.91Å; R173-M191 PolarHBondContact NH2-O 3.48Å; R173-M191 VanDerWaalsContact NH2-O 3.14Å |
| 174 | I | 95.2 | Very high | 93.9 | Very high | 66 Ų | 66 | 55.8 Ų | 55.8 | 34% | 0.338 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.4 | -48.8 | 172.8 | -64.3 | -62.9 | 0 | 0 | 0 | 109.9 | Y170 R171 M172 C176 G177 F179 | Y170-I174 HydrophobicContact CD2-CG1 4.07Å; Y170-I174 HydrophobicContact CE1-CG1 4.24Å; Y170-I174 HydrophobicContact CE2-CD1 3.8Å; Y170-I174 HydrophobicContact CE2-CG1 3.66Å; Y170-I174 WeakPolarHBondContact O-CG1 3.12Å; Y170-I174 PolarHBondContact O-N 2.93Å; R171-I174 PolarHBondContact O-N 3.06Å; M172-I174 VanDerWaalsContact C-N 3.35Å; M172-I174 PolarHBondContact O-N 2.91Å; I174-C176 VanDerWaalsContact C-N 3.31Å; I174-C176 PolarHBondContact O-N 3.39Å; I174-G177 PolarHBondContact O-N 3.26Å; I174-F179 HydrophobicContact CD1-CB 4.48Å; I174-F179 HydrophobicContact CD1-CD1 3.7Å; I174-F179 HydrophobicContact CD1-CE1 4.49Å; I174-F179 WeakPolarHBondContact CD1-O 3.4Å |
| 175 | A | 94.9 | Very high | 93.8 | Very high | 87 Ų | 87 | 59.5 Ų | 59.5 | 72% | 0.719 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.9 | -37.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R171 M172 G177 | R171-A175 VanDerWaalsContact O-CB 3.3Å; R171-A175 WeakPolarHBondContact O-CB 3.24Å; R171-A175 PolarHBondContact O-N 3.12Å; M172-A175 PolarHBondContact O-N 3.15Å; A175-G177 VanDerWaalsContact C-N 3.27Å; A175-G177 PolarHBondContact O-N 3.34Å |
| 176 | C | 93.9 | Very high | 93.7 | Very high | 106 Ų | 106 | 55.8 Ų | 55.8 | 72% | 0.716 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 0.3 | 176.6 | -63.2 | 0 | 0 | 0 | 0 | 113.6 | M172 I174 S178 | M172-C176 WeakPolarHBondContact O-CB 3.29Å; M172-C176 PolarHBondContact O-N 3.42Å; M172-C176 PolarHBondContact O-SG 3.33Å; I174-C176 VanDerWaalsContact C-N 3.31Å; I174-C176 PolarHBondContact O-N 3.39Å; C176-S178 PolarHBondContact O-N 3.42Å; C176-S178 VanDerWaalsContact O-N 3.14Å |
| 177 | G | 92.9 | Very high | 93.5 | Very high | 63 Ų | 63 | 55.8 Ų | 55.8 | 65% | 0.649 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 8.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R173 I174 A175 F179 | R173-G177 PolarHBondContact O-N 3.08Å; I174-G177 PolarHBondContact O-N 3.26Å; A175-G177 VanDerWaalsContact C-N 3.27Å; A175-G177 PolarHBondContact O-N 3.34Å; G177-F179 VanDerWaalsContact C-N 3.25Å; G177-F179 PolarHBondContact O-N 3.44Å |
| 178 | S | 94.6 | Very high | 93.1 | Very high | 56 Ų | 56 | 60.2 Ų | 60.2 | 39% | 0.392 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -74.1 | -16.2 | 178.9 | 67.6 | 0 | 0 | 0 | 0 | 113.4 | R173 C176 M191 | R173-S178 WeakPolarHBondContact CA-OG 3.38Å; R173-S178 VanDerWaalsContact CB-OG 3.31Å; R173-S178 WeakPolarHBondContact CB-OG 3.3Å; R173-S178 WeakPolarHBondContact CG-OG 3.42Å; R173-S178 PolarHBondContact O-N 3.11Å; R173-S178 PolarHBondContact O-OG 2.74Å; C176-S178 PolarHBondContact O-N 3.42Å; C176-S178 VanDerWaalsContact O-N 3.14Å; S178-M191 VanDerWaalsContact O-CE 3.27Å; S178-M191 WeakPolarHBondContact O-CE 3.09Å |
| 179 | F | 95.7 | Very high | 92.9 | Very high | 23 Ų | 23 | 58.4 Ų | 58.4 | 10% | 0.101 | 34% | 0.343 | C | S | . | . | trans | -142.8 | 149.2 | 175.7 | -172.2 | -107.9 | 0 | 0 | 0 | 109 | Y170 R173 I174 G177 G181 E185 H189 M191 | Y170-F179 HydrophobicContact CD2-CD1 4.29Å; Y170-F179 HydrophobicContact CD2-CE1 4.41Å; Y170-F179 HydrophobicContact CE2-CD1 4.05Å; Y170-F179 AromaticContact CE2-CE1 3.99Å; Y170-F179 HydrophobicContact CE2-CE1 3.99Å; R173-F179 HydrophobicContact CB-CB 3.81Å; R173-F179 PolarHBondContact O-N 3.23Å; I174-F179 HydrophobicContact CD1-CB 4.48Å; I174-F179 HydrophobicContact CD1-CD1 3.7Å; I174-F179 HydrophobicContact CD1-CE1 4.49Å; I174-F179 WeakPolarHBondContact CD1-O 3.4Å; G177-F179 VanDerWaalsContact C-N 3.25Å; G177-F179 PolarHBondContact O-N 3.44Å; F179-G181 VanDerWaalsContact CE1-N 3.26Å; F179-G181 VanDerWaalsContact CE1-O 3.23Å; F179-G181 WeakPolarHBondContact CE1-O 3.42Å; F179-E185 HydrophobicContact CZ-CB 4.02Å; F179-H189 HydrophobicContact CE2-CB 4.25Å; F179-M191 HydrophobicContact CB-SD 4.28Å; F179-M191 HydrophobicContact CD2-SD 4.02Å | ||
| 180 | S | 92.4 | Very high | 92.7 | Very high | 123 Ų | 123 | 63.5 Ų | 63.5 | 86% | 0.86 | 37% | 0.37 | S | S | * | . | trans | -134.7 | 5.1 | -177.7 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 181 | G | 91.9 | Very high | 92.5 | Very high | 14 Ų | 14 | 65 Ų | 65 | 14% | 0.144 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -88.8 | 178.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y170 F179 E185 | Y170-G181 PolarHBondContact OH-O 2.92Å; F179-G181 VanDerWaalsContact CE1-N 3.26Å; F179-G181 VanDerWaalsContact CE1-O 3.23Å; F179-G181 WeakPolarHBondContact CE1-O 3.42Å; G181-E185 WeakPolarHBondContact CA-OE2 3.42Å |
| 182 | S | 91.5 | Very high | 92.3 | Very high | 52 Ų | 52 | 59.8 Ų | 59.8 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | trans | -71.2 | 163.1 | 172.6 | 70.2 | 0 | 0 | 0 | 0 | 112.3 | I184 E185 Y186 | S182-I184 PolarHBondContact O-N 3.33Å; S182-E185 PolarHBondContact N-OE2 2.99Å; S182-E185 WeakPolarHBondContact O-CB 3.29Å; S182-E185 PolarHBondContact O-N 3.08Å; S182-E185 WeakPolarHBondContact OG-CG 3.19Å; S182-E185 PolarHBondContact OG-N 3.06Å; S182-Y186 PolarHBondContact O-N 3.16Å | ||
| 183 | F | 91.5 | Very high | 92 | Very high | 4 Ų | 4 | 61.3 Ų | 61.3 | 2% | 0.018 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.1 | -36.7 | 174.4 | -175.5 | -112.4 | 0 | 0 | 0 | 112.5 | F87 L101 V117 A120 F166 I167 Y170 Y186 C187 | F87-F183 AromaticContact CE1-CD1 3.91Å; F87-F183 HydrophobicContact CE1-CD1 3.91Å; F87-F183 HydrophobicContact CE1-CD2 4.06Å; F87-F183 HydrophobicContact CE1-CE1 4.04Å; F87-F183 HydrophobicContact CE1-CE2 4.18Å; F87-F183 AromaticContact CE1-CG 3.89Å; F87-F183 HydrophobicContact CE1-CG 3.89Å; F87-F183 HydrophobicContact CE1-CZ 4.16Å; F87-F183 HydrophobicContact CZ-CB 4.01Å; F87-F183 HydrophobicContact CZ-CD1 4.13Å; F87-F183 AromaticContact CZ-CD2 3.54Å; F87-F183 HydrophobicContact CZ-CD2 3.54Å; F87-F183 HydrophobicContact CZ-CE1 4.48Å; F87-F183 AromaticContact CZ-CE2 3.93Å; F87-F183 HydrophobicContact CZ-CE2 3.93Å; F87-F183 AromaticContact CZ-CG 3.62Å; F87-F183 HydrophobicContact CZ-CG 3.62Å; F87-F183 HydrophobicContact CZ-CZ 4.38Å; L101-F183 HydrophobicContact CD1-CB 4.16Å; L101-F183 HydrophobicContact CD2-CB 4.17Å; L101-F183 HydrophobicContact CD2-CD1 4.14Å; V117-F183 HydrophobicContact CG1-CE1 4.21Å; V117-F183 HydrophobicContact CG1-CZ 3.91Å; V117-F183 HydrophobicContact CG2-CE1 4.32Å; A120-F183 HydrophobicContact CB-CE1 4.17Å; F166-F183 HydrophobicContact CD1-CE2 4.2Å; F166-F183 AromaticContact CD1-CZ 3.63Å; F166-F183 HydrophobicContact CD1-CZ 3.63Å; F166-F183 HydrophobicContact CE1-CE2 4.41Å; F166-F183 AromaticContact CE1-CZ 3.89Å; F166-F183 HydrophobicContact CE1-CZ 3.89Å; F166-F183 HydrophobicContact CG-CZ 4.49Å; I167-F183 HydrophobicContact CG1-CZ 4.45Å; Y170-F183 HydrophobicContact CD1-CB 4.36Å; Y170-F183 AromaticContact CD1-CD2 3.63Å; Y170-F183 HydrophobicContact CD1-CD2 3.63Å; Y170-F183 HydrophobicContact CD1-CE2 4.4Å; Y170-F183 HydrophobicContact CD1-CG 4.44Å; Y170-F183 AromaticContact CD2-CD2 3.97Å; Y170-F183 HydrophobicContact CD2-CD2 3.97Å; Y170-F183 HydrophobicContact CE1-CB 4.04Å; Y170-F183 HydrophobicContact CE1-CD2 4.18Å; Y170-F183 HydrophobicContact CE2-CB 4.27Å; Y170-F183 HydrophobicContact CE2-CD2 4.47Å; Y170-F183 AromaticContact CG-CD2 3.5Å; Y170-F183 HydrophobicContact CG-CD2 3.5Å; Y170-F183 HydrophobicContact CG-CE2 4.16Å; Y170-F183 PolarHBondContact OH-N 2.89Å; F183-Y186 AromaticContact CD2-CD1 3.95Å; F183-Y186 HydrophobicContact CD2-CD1 3.95Å; F183-Y186 AromaticContact CE2-CD1 3.94Å; F183-Y186 HydrophobicContact CE2-CD1 3.94Å; F183-Y186 HydrophobicContact CE2-CE1 4.24Å; F183-Y186 WeakPolarHBondContact O-CB 3.05Å; F183-Y186 PolarHBondContact O-N 3.09Å; F183-C187 PolarHBondContact O-N 3.21Å; F183-C187 PolarHBondContact O-SG 3.38Å |
| 184 | I | 89.6 | Confident | 91.9 | Very high | 32 Ų | 32 | 62 Ų | 62 | 16% | 0.164 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 178 | -61.9 | -58.5 | 0 | 0 | 0 | 111.5 | L101 M115 A120 S182 Y186 C187 N188 | L101-I184 HydrophobicContact CD2-CD1 3.71Å; L101-I184 HydrophobicContact CD2-CG1 3.72Å; M115-I184 HydrophobicContact SD-CD1 3.96Å; A120-I184 HydrophobicContact CB-CD1 4.11Å; S182-I184 PolarHBondContact O-N 3.33Å; I184-Y186 VanDerWaalsContact C-N 3.35Å; I184-C187 PolarHBondContact O-N 2.79Å; I184-N188 PolarHBondContact O-N 3.08Å; I184-N188 PolarHBondContact O-ND2 3.43Å |
| 185 | E | 90.9 | Very high | 91.7 | Very high | 113 Ų | 113 | 59.6 Ų | 59.6 | 53% | 0.528 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 173.7 | -71.7 | 165.4 | 175.8 | 0 | 0 | 110.6 | F179 G181 S182 C187 N188 H189 | F179-E185 HydrophobicContact CZ-CB 4.02Å; G181-E185 WeakPolarHBondContact CA-OE2 3.42Å; S182-E185 PolarHBondContact N-OE2 2.99Å; S182-E185 WeakPolarHBondContact O-CB 3.29Å; S182-E185 PolarHBondContact O-N 3.08Å; S182-E185 WeakPolarHBondContact OG-CG 3.19Å; S182-E185 PolarHBondContact OG-N 3.06Å; E185-C187 PolarHBondContact O-N 3.15Å; E185-N188 CarbonylContact O-C 3.49Å; E185-N188 PolarHBondContact O-N 3.49Å; E185-N188 VanDerWaalsContact O-N 3.07Å; E185-H189 WeakPolarHBondContact O-CB 3.46Å; E185-H189 PolarHBondContact O-N 3.13Å |
| 186 | Y | 92.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.7 | -44.6 | 174.6 | 168.4 | -104.1 | 0 | 0 | 0 | 112.2 | F166 D169 Y170 S182 F183 I184 N188 H189 S192 | F166-Y186 AromaticContact CD2-CE1 3.94Å; F166-Y186 HydrophobicContact CD2-CE1 3.94Å; F166-Y186 HydrophobicContact CE1-CE1 4.41Å; F166-Y186 AromaticContact CE2-CE1 3.57Å; F166-Y186 HydrophobicContact CE2-CE1 3.57Å; F166-Y186 AromaticContact CE2-CZ 4Å; F166-Y186 HydrophobicContact CZ-CD1 4.36Å; F166-Y186 AromaticContact CZ-CE1 3.82Å; F166-Y186 HydrophobicContact CZ-CE1 3.82Å; D169-Y186 PolarHBondContact OD2-OH 2.97Å; Y170-Y186 AromaticContact CD2-CD1 3.9Å; Y170-Y186 HydrophobicContact CD2-CD1 3.9Å; Y170-Y186 HydrophobicContact CD2-CD2 4.32Å; Y170-Y186 AromaticContact CD2-CG 3.67Å; Y170-Y186 HydrophobicContact CD2-CG 3.67Å; Y170-Y186 HydrophobicContact CG-CD1 4.17Å; Y170-Y186 HydrophobicContact CG-CG 4.37Å; S182-Y186 PolarHBondContact O-N 3.16Å; F183-Y186 AromaticContact CD2-CD1 3.95Å; F183-Y186 HydrophobicContact CD2-CD1 3.95Å; F183-Y186 AromaticContact CE2-CD1 3.94Å; F183-Y186 HydrophobicContact CE2-CD1 3.94Å; F183-Y186 HydrophobicContact CE2-CE1 4.24Å; F183-Y186 WeakPolarHBondContact O-CB 3.05Å; F183-Y186 PolarHBondContact O-N 3.09Å; I184-Y186 VanDerWaalsContact C-N 3.35Å; Y186-N188 PolarHBondContact O-N 3.04Å; Y186-N188 VanDerWaalsContact O-N 3.11Å; Y186-H189 WeakPolarHBondContact O-CB 3.4Å; Y186-H189 PolarHBondContact O-N 3.15Å; Y186-S192 WeakPolarHBondContact O-CB 3.41Å; Y186-S192 PolarHBondContact O-OG 3.06Å; Y186-S192 WeakPolarHBondContact OH-CA 3.46Å; Y186-S192 WeakPolarHBondContact OH-CB 3.49Å |
| 187 | C | 88.8 | Confident | 91.1 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.007 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.6 | -30.7 | 176.4 | -64.4 | 0 | 0 | 0 | 0 | 113.1 | F166 F183 I184 E185 S192 R196 | F166-C187 HydrophobicContact CE1-CB 4.49Å; F166-C187 HydrophobicContact CZ-CB 4.49Å; F183-C187 PolarHBondContact O-N 3.21Å; F183-C187 PolarHBondContact O-SG 3.38Å; I184-C187 PolarHBondContact O-N 2.79Å; E185-C187 PolarHBondContact O-N 3.15Å; C187-S192 PolarHBondContact O-OG 3.32Å; C187-R196 VanDerWaalsContact O-CD 3.24Å; C187-R196 WeakPolarHBondContact O-CD 3.48Å |
| 188 | N | 87.1 | Confident | 90.9 | Very high | 93 Ų | 93 | 64.8 Ų | 64.8 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -97.1 | -3.2 | -179.8 | -59.1 | -45.2 | 0 | 0 | 0 | 113.2 | Q125 I184 E185 Y186 | Q125-N188 PolarHBondContact NE2-ND2 3.4Å; Q125-N188 PolarHBondContact NE2-OD1 3.19Å; Q125-N188 VanDerWaalsContact NE2-OD1 3.09Å; I184-N188 PolarHBondContact O-N 3.08Å; I184-N188 PolarHBondContact O-ND2 3.43Å; E185-N188 CarbonylContact O-C 3.49Å; E185-N188 PolarHBondContact O-N 3.49Å; E185-N188 VanDerWaalsContact O-N 3.07Å; Y186-N188 PolarHBondContact O-N 3.04Å; Y186-N188 VanDerWaalsContact O-N 3.11Å |
| 189 | H | 91.1 | Very high | 90.5 | Very high | 77 Ų | 77 | 63.7 Ų | 63.7 | 36% | 0.356 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -89.7 | 153.1 | -177.1 | -162.4 | -97.7 | 0 | 0 | 0 | 112.1 | F179 E185 Y186 M191 S192 R196 | F179-H189 HydrophobicContact CE2-CB 4.25Å; E185-H189 WeakPolarHBondContact O-CB 3.46Å; E185-H189 PolarHBondContact O-N 3.13Å; Y186-H189 WeakPolarHBondContact O-CB 3.4Å; Y186-H189 PolarHBondContact O-N 3.15Å; H189-M191 WeakPolarHBondContact ND1-CB 3.42Å; H189-M191 VanDerWaalsContact ND1-CG 3.31Å; H189-M191 WeakPolarHBondContact ND1-CG 3.28Å; H189-M191 PolarHBondContact ND1-N 3.27Å; H189-M191 PolarHBondContact O-N 2.86Å; H189-S192 PolarHBondContact O-N 3.02Å; H189-S192 PolarHBondContact O-OG 2.95Å; H189-R196 PolarHBondContact O-NH2 3.03Å |
| 190 | D | 90.8 | Very high | 89.7 | Confident | 133 Ų | 133 | 63.9 Ų | 63.9 | 71% | 0.711 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -65.7 | -28 | 179.4 | -69.9 | -26 | 0 | 0 | 0 | 112.8 | S192 Y193 | D190-S192 PolarHBondContact O-N 3.26Å; D190-S192 VanDerWaalsContact O-N 3.14Å; D190-Y193 WeakPolarHBondContact O-CB 3.47Å; D190-Y193 PolarHBondContact O-N 3.35Å |
| 191 | M | 91.3 | Very high | 88.5 | Confident | 66 Ų | 66 | 65.8 Ų | 65.8 | 33% | 0.325 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -57.9 | -27.6 | 175.5 | -74 | 173.8 | -179.2 | 0 | 0 | 113.4 | R173 S178 F179 H189 Y193 P194 | R173-M191 VanDerWaalsContact CZ-O 3.24Å; R173-M191 PolarHBondContact NE-O 2.91Å; R173-M191 PolarHBondContact NH2-O 3.48Å; R173-M191 VanDerWaalsContact NH2-O 3.14Å; S178-M191 VanDerWaalsContact O-CE 3.27Å; S178-M191 WeakPolarHBondContact O-CE 3.09Å; F179-M191 HydrophobicContact CB-SD 4.28Å; F179-M191 HydrophobicContact CD2-SD 4.02Å; H189-M191 WeakPolarHBondContact ND1-CB 3.42Å; H189-M191 VanDerWaalsContact ND1-CG 3.31Å; H189-M191 WeakPolarHBondContact ND1-CG 3.28Å; H189-M191 PolarHBondContact ND1-N 3.27Å; H189-M191 PolarHBondContact O-N 2.86Å; M191-Y193 VanDerWaalsContact C-N 3.32Å; M191-P194 VanDerWaalsContact O-CD 3.3Å; M191-P194 WeakPolarHBondContact O-CD 3.43Å |
| 192 | S | 91.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -83 | -10.9 | 178.8 | 67.8 | 0 | 0 | 0 | 0 | 113.2 | Y186 C187 H189 D190 P194 V195 R196 | Y186-S192 WeakPolarHBondContact O-CB 3.41Å; Y186-S192 PolarHBondContact O-OG 3.06Å; Y186-S192 WeakPolarHBondContact OH-CA 3.46Å; Y186-S192 WeakPolarHBondContact OH-CB 3.49Å; C187-S192 PolarHBondContact O-OG 3.32Å; H189-S192 PolarHBondContact O-N 3.02Å; H189-S192 PolarHBondContact O-OG 2.95Å; D190-S192 PolarHBondContact O-N 3.26Å; D190-S192 VanDerWaalsContact O-N 3.14Å; S192-P194 VanDerWaalsContact C-CD 3.41Å; S192-V195 PolarHBondContact O-N 3.39Å; S192-V195 VanDerWaalsContact O-N 3.15Å; S192-R196 VanDerWaalsContact O-CG 3.29Å; S192-R196 WeakPolarHBondContact O-CG 3.35Å; S192-R196 PolarHBondContact O-N 3.47Å; S192-R196 WeakPolarHBondContact OG-CD 3.3Å; S192-R196 PolarHBondContact OG-NE 3.19Å |
| 193 | Y | 90.3 | Very high | 85.2 | Confident | 126 Ų | 126 | 67.2 Ų | 67.2 | 49% | 0.494 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -52.8 | -42.7 | -176.9 | -176.5 | -105.4 | 0 | 0 | 0 | 114.9 | D190 M191 V195 R196 R197 | D190-Y193 WeakPolarHBondContact O-CB 3.47Å; D190-Y193 PolarHBondContact O-N 3.35Å; M191-Y193 VanDerWaalsContact C-N 3.32Å; Y193-V195 PolarHBondContact O-N 2.91Å; Y193-R196 PolarHBondContact O-N 3.18Å; Y193-R197 WeakPolarHBondContact O-CG 3.39Å; Y193-R197 PolarHBondContact O-N 2.97Å |
| 194 | P | 91.8 | Very high | 83.5 | Confident | 68 Ų | 68 | 68.8 Ų | 68.8 | 44% | 0.442 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.2 | -31.6 | -180 | -25.2 | 36.2 | 0 | 0 | 0 | 114.1 | M191 S192 R197 | M191-P194 VanDerWaalsContact O-CD 3.3Å; M191-P194 WeakPolarHBondContact O-CD 3.43Å; S192-P194 VanDerWaalsContact C-CD 3.41Å; P194-R197 VanDerWaalsContact O-CG 3.3Å; P194-R197 WeakPolarHBondContact O-CG 3.47Å |
| 195 | V | 91.1 | Very high | 81.5 | Confident | 14 Ų | 14 | 74.9 Ų | 74.9 | 9% | 0.085 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -88.7 | -41.4 | 176.7 | -169.7 | 0 | 0 | 0 | 0 | 110.4 | W162 F166 D169 S192 Y193 R197 K198 | W162-V195 PolarHBondContact NE1-O 3.38Å; F166-V195 HydrophobicContact CB-CG1 4.07Å; F166-V195 HydrophobicContact CD2-CB 3.72Å; F166-V195 HydrophobicContact CD2-CG1 3.53Å; F166-V195 HydrophobicContact CE2-CB 4.17Å; F166-V195 HydrophobicContact CE2-CG1 4.39Å; F166-V195 HydrophobicContact CG-CG1 4.25Å; D169-V195 HydrophobicContact CB-CG2 3.82Å; S192-V195 PolarHBondContact O-N 3.39Å; S192-V195 VanDerWaalsContact O-N 3.15Å; Y193-V195 PolarHBondContact O-N 2.91Å; V195-R197 VanDerWaalsContact C-N 3.3Å; V195-R197 PolarHBondContact O-N 3.31Å; V195-K198 WeakPolarHBondContact O-CB 3.3Å; V195-K198 PolarHBondContact O-N 3.23Å |
| 196 | R | 89.2 | Confident | 79.7 | Confident | 51 Ų | 51 | 78.4 Ų | 78.4 | 19% | 0.192 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -55.8 | -40.3 | 178 | -72 | -174.5 | -50.3 | 137.3 | -9.6 | 113.1 | F121 F166 C187 H189 S192 Y193 K198 Y199 | F121-R196 HydrophobicContact CD2-CB 4.11Å; F121-R196 VanDerWaalsContact CD2-CD 3.42Å; F121-R196 HydrophobicContact CD2-CG 3.51Å; F121-R196 HydrophobicContact CE2-CB 3.44Å; F121-R196 VanDerWaalsContact CE2-CB 3.44Å; F121-R196 HydrophobicContact CE2-CG 3.36Å; F121-R196 HydrophobicContact CG-CG 4.46Å; F121-R196 HydrophobicContact CZ-CB 3.81Å; F121-R196 HydrophobicContact CZ-CG 4.17Å; F166-R196 HydrophobicContact CE2-CG 3.68Å; F166-R196 HydrophobicContact CZ-CG 3.72Å; C187-R196 VanDerWaalsContact O-CD 3.24Å; C187-R196 WeakPolarHBondContact O-CD 3.48Å; H189-R196 PolarHBondContact O-NH2 3.03Å; S192-R196 VanDerWaalsContact O-CG 3.29Å; S192-R196 WeakPolarHBondContact O-CG 3.35Å; S192-R196 PolarHBondContact O-N 3.47Å; S192-R196 WeakPolarHBondContact OG-CD 3.3Å; S192-R196 PolarHBondContact OG-NE 3.19Å; Y193-R196 PolarHBondContact O-N 3.18Å; R196-K198 PolarHBondContact O-N 2.96Å; R196-Y199 VanDerWaalsContact O-CB 3.3Å; R196-Y199 WeakPolarHBondContact O-CB 3.39Å; R196-Y199 PolarHBondContact O-N 3.21Å; R196-Y199 VanDerWaalsContact O-N 3.15Å |
| 197 | R | 88.1 | Confident | 78 | Confident | 176 Ų | 176 | 78.9 Ų | 78.9 | 66% | 0.664 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -16.5 | 178.6 | 67.2 | 177.3 | -77.2 | 149.7 | -2.4 | 114.6 | Y193 P194 V195 | Y193-R197 WeakPolarHBondContact O-CG 3.39Å; Y193-R197 PolarHBondContact O-N 2.97Å; P194-R197 VanDerWaalsContact O-CG 3.3Å; P194-R197 WeakPolarHBondContact O-CG 3.47Å; V195-R197 VanDerWaalsContact C-N 3.3Å; V195-R197 PolarHBondContact O-N 3.31Å |
| 198 | K | 87.7 | Confident | 76.3 | Confident | 139 Ų | 139 | 82.5 Ų | 82.5 | 60% | 0.604 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 0.8 | 177.8 | -62.9 | 179.8 | 179.5 | -179.7 | 0 | 112.8 | V195 R196 | V195-K198 WeakPolarHBondContact O-CB 3.3Å; V195-K198 PolarHBondContact O-N 3.23Å; R196-K198 PolarHBondContact O-N 2.96Å |
| 199 | Y | 85.6 | Confident | 74.7 | Confident | 32 Ų | 32 | 78.2 Ų | 78.2 | 13% | 0.125 | 38% | 0.38 | C | S | . | . | trans | -59.7 | 125.8 | -176.2 | -177 | -108.4 | 0 | 0 | 0 | 111.7 | D118 F121 T122 W162 R196 Q201 S204 | D118-Y199 HydrophobicContact CB-CE2 4.26Å; F121-Y199 HydrophobicContact CD1-CD1 4.17Å; F121-Y199 HydrophobicContact CD1-CD2 4.04Å; F121-Y199 HydrophobicContact CD1-CE2 4.44Å; F121-Y199 AromaticContact CD1-CG 3.89Å; F121-Y199 HydrophobicContact CD1-CG 3.89Å; F121-Y199 AromaticContact CE1-CD1 3.82Å; F121-Y199 HydrophobicContact CE1-CD1 3.82Å; F121-Y199 HydrophobicContact CE1-CD2 4.26Å; F121-Y199 AromaticContact CE1-CG 3.65Å; F121-Y199 HydrophobicContact CE1-CG 3.65Å; T122-Y199 HydrophobicContact CG2-CE1 4.5Å; W162-Y199 AromaticContact CD2-CD2 3.49Å; W162-Y199 HydrophobicContact CD2-CD2 3.49Å; W162-Y199 VanDerWaalsContact CD2-CD2 3.49Å; W162-Y199 HydrophobicContact CD2-CE2 4.21Å; W162-Y199 HydrophobicContact CD2-CG 4.48Å; W162-Y199 AromaticContact CE2-CD2 3.56Å; W162-Y199 AromaticContact CE3-CD2 3.51Å; W162-Y199 HydrophobicContact CE3-CD2 3.51Å; W162-Y199 AromaticContact CE3-CE2 3.75Å; W162-Y199 HydrophobicContact CE3-CE2 3.75Å; W162-Y199 HydrophobicContact CG-CD2 4.18Å; W162-Y199 AromaticContact CH2-CD2 3.71Å; W162-Y199 HydrophobicContact CH2-CD2 3.71Å; W162-Y199 HydrophobicContact CH2-CE2 4.14Å; W162-Y199 AromaticContact CZ2-CD2 3.68Å; W162-Y199 HydrophobicContact CZ2-CD2 3.68Å; W162-Y199 HydrophobicContact CZ2-CG 4.3Å; W162-Y199 AromaticContact CZ3-CD2 3.63Å; W162-Y199 HydrophobicContact CZ3-CD2 3.63Å; W162-Y199 AromaticContact CZ3-CE2 3.73Å; W162-Y199 HydrophobicContact CZ3-CE2 3.73Å; R196-Y199 VanDerWaalsContact O-CB 3.3Å; R196-Y199 WeakPolarHBondContact O-CB 3.39Å; R196-Y199 PolarHBondContact O-N 3.21Å; R196-Y199 VanDerWaalsContact O-N 3.15Å; Y199-Q201 PolarHBondContact O-N 3.33Å; Y199-S204 VanDerWaalsContact OH-CB 3.3Å; Y199-S204 WeakPolarHBondContact OH-CB 3.45Å; Y199-S204 PolarHBondContact OH-OG 2.75Å | ||
| 200 | P | 80.1 | Confident | 72.6 | Confident | 28 Ų | 28 | 76.2 Ų | 76.2 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | trans | -76.3 | 90.8 | -177.9 | 29.8 | -34.3 | 0 | 0 | 0 | 111.1 | A158 A159 A202 A203 S204 | A158-P200 HydrophobicContact CB-CB 3.88Å; A158-P200 HydrophobicContact CB-CG 3.94Å; A159-P200 HydrophobicContact CB-CG 4.34Å; P200-A202 VanDerWaalsContact C-N 3.26Å; P200-A202 PolarHBondContact O-N 3.37Å; P200-A203 HydrophobicContact CB-CB 3.98Å; P200-A203 HydrophobicContact CG-CB 4.05Å; P200-A203 PolarHBondContact O-N 3.04Å; P200-S204 PolarHBondContact O-N 2.97Å | ||
| 201 | Q | 67.1 | Low | 70.4 | Confident | 162 Ų | 162 | 74.7 Ų | 74.7 | 76% | 0.757 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -56.7 | -36.5 | -175.9 | -158.4 | 164 | 10 | 0 | 0 | 113.2 | Y199 A203 S204 | Y199-Q201 PolarHBondContact O-N 3.33Å; Q201-A203 PolarHBondContact O-N 3.08Å; Q201-S204 WeakPolarHBondContact O-CB 3.36Å; Q201-S204 PolarHBondContact O-N 3.32Å |
| 202 | A | 57.8 | Low | 67.9 | Low | 77 Ų | 77 | 76.8 Ų | 76.8 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -71.4 | -22.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | P200 | P200-A202 VanDerWaalsContact C-N 3.26Å; P200-A202 PolarHBondContact O-N 3.37Å |
| 203 | A | 55.9 | Low | 65.4 | Low | 19 Ų | 19 | 78.9 Ų | 78.9 | 16% | 0.157 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -81.8 | -27 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A159 P200 Q201 E205 R206 L207 | A159-A203 HydrophobicContact CB-CB 4.01Å; P200-A203 HydrophobicContact CB-CB 3.98Å; P200-A203 HydrophobicContact CG-CB 4.05Å; P200-A203 PolarHBondContact O-N 3.04Å; Q201-A203 PolarHBondContact O-N 3.08Å; A203-E205 VanDerWaalsContact C-N 3.33Å; A203-E205 PolarHBondContact O-N 3.33Å; A203-R206 PolarHBondContact O-N 3.25Å; A203-L207 PolarHBondContact O-N 3.45Å |
| 204 | S | 55.3 | Low | 62.8 | Low | 37 Ų | 37 | 78.4 Ų | 78.4 | 26% | 0.259 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.4 | -35.1 | 176.1 | -171.7 | 0 | 0 | 0 | 0 | 113 | Y199 P200 Q201 R206 L207 | Y199-S204 VanDerWaalsContact OH-CB 3.3Å; Y199-S204 WeakPolarHBondContact OH-CB 3.45Å; Y199-S204 PolarHBondContact OH-OG 2.75Å; P200-S204 PolarHBondContact O-N 2.97Å; Q201-S204 WeakPolarHBondContact O-CB 3.36Å; Q201-S204 PolarHBondContact O-N 3.32Å; S204-R206 PolarHBondContact O-N 3.14Å; S204-L207 PolarHBondContact O-N 3.29Å; S204-L207 VanDerWaalsContact O-N 3.14Å |
| 205 | E | 49.1 | Very low | 60.2 | Low | 160 Ų | 160 | 81.1 Ų | 81.1 | 75% | 0.748 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -27.1 | 178.6 | -67.5 | -178.5 | 174.5 | 0 | 0 | 112.3 | A203 | A203-E205 VanDerWaalsContact C-N 3.33Å; A203-E205 PolarHBondContact O-N 3.33Å |
| 206 | R | 52.2 | Low | 57.4 | Low | 187 Ų | 187 | 86.5 Ų | 86.5 | 71% | 0.706 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -19 | 176.5 | -63.3 | -177.2 | -178.1 | 169.5 | 1.4 | 113.2 | Y156 A203 S204 T208 | Y156-R206 HydrophobicContact CE1-CB 4.11Å; A203-R206 PolarHBondContact O-N 3.25Å; S204-R206 PolarHBondContact O-N 3.14Å; R206-T208 PolarHBondContact O-N 3.4Å |
| 207 | L | 55.6 | Low | 54.6 | Low | 11 Ų | 11 | 92.6 Ų | 92.6 | 6% | 0.058 | 47% | 0.472 | C | S | . | . | trans | -93.8 | 59 | 179.1 | -70.9 | 169.6 | 0 | 0 | 0 | 110.9 | W98 Y156 A159 A203 S204 I209 | W98-L207 HydrophobicContact CH2-CD1 4.01Å; W98-L207 HydrophobicContact CH2-CD2 4.25Å; W98-L207 HydrophobicContact CZ2-CD1 3.9Å; W98-L207 HydrophobicContact CZ3-CD2 4.42Å; Y156-L207 HydrophobicContact CD1-CD1 4.36Å; Y156-L207 HydrophobicContact CD1-CD2 3.39Å; Y156-L207 HydrophobicContact CD1-CG 3.72Å; Y156-L207 HydrophobicContact CD2-CD2 4.03Å; Y156-L207 HydrophobicContact CE1-CD2 3.49Å; Y156-L207 VanDerWaalsContact CE1-CD2 3.49Å; Y156-L207 HydrophobicContact CE1-CG 3.91Å; Y156-L207 HydrophobicContact CE2-CD2 4.14Å; Y156-L207 HydrophobicContact CG-CD2 3.67Å; Y156-L207 HydrophobicContact CG-CG 4.37Å; A159-L207 HydrophobicContact CB-CD1 3.37Å; A203-L207 PolarHBondContact O-N 3.45Å; S204-L207 PolarHBondContact O-N 3.29Å; S204-L207 VanDerWaalsContact O-N 3.14Å; L207-I209 HydrophobicContact CB-CG1 4.47Å; L207-I209 HydrophobicContact CD2-CD1 3.69Å; L207-I209 HydrophobicContact CD2-CG1 4.17Å; L207-I209 PolarHBondContact O-N 3.38Å | ||
| 208 | T | 53.6 | Low | 52 | Low | 76 Ų | 76 | 88.9 Ų | 88.9 | 47% | 0.466 | 47% | 0.47 | S | S | . | . | trans | -78.9 | 43.3 | 170.7 | 30.9 | 0 | 0 | 0 | 0 | 112 | R206 T210 | R206-T208 PolarHBondContact O-N 3.4Å; T208-T210 PolarHBondContact O-N 3.46Å; T208-T210 VanDerWaalsContact O-N 3.08Å | ||
| 209 | I | 53.9 | Low | 49 | Very low | 3 Ų | 3 | 88.4 Ų | 88.4 | 2% | 0.015 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26.3 | -173.3 | -56.4 | 173.9 | 0 | 0 | 0 | 112.1 | C92 Y95 W98 F116 L207 V213 | C92-I209 HydrophobicContact CB-CG2 3.98Å; Y95-I209 HydrophobicContact CD1-CD1 4.08Å; Y95-I209 HydrophobicContact CD1-CG1 3.59Å; Y95-I209 HydrophobicContact CD2-CB 4.3Å; Y95-I209 HydrophobicContact CD2-CG1 4.03Å; Y95-I209 HydrophobicContact CD2-CG2 3.89Å; Y95-I209 HydrophobicContact CE1-CG1 3.65Å; Y95-I209 HydrophobicContact CE2-CB 4.29Å; Y95-I209 HydrophobicContact CE2-CG1 4.1Å; Y95-I209 HydrophobicContact CE2-CG2 4.29Å; Y95-I209 HydrophobicContact CG-CB 4.48Å; Y95-I209 HydrophobicContact CG-CD1 4.28Å; Y95-I209 HydrophobicContact CG-CG1 3.77Å; Y95-I209 HydrophobicContact CG-CG2 4.16Å; W98-I209 HydrophobicContact CG-CD1 4.47Å; F116-I209 HydrophobicContact CD2-CB 4.46Å; F116-I209 HydrophobicContact CD2-CG2 4.04Å; F116-I209 HydrophobicContact CE2-CB 4.28Å; F116-I209 HydrophobicContact CE2-CG2 3.4Å; F116-I209 HydrophobicContact CZ-CG2 4.26Å; L207-I209 HydrophobicContact CB-CG1 4.47Å; L207-I209 HydrophobicContact CD2-CD1 3.69Å; L207-I209 HydrophobicContact CD2-CG1 4.17Å; L207-I209 PolarHBondContact O-N 3.38Å; I209-V213 WeakPolarHBondContact O-CG2 3.46Å |
| 210 | T | 46 | Very low | 46.2 | Very low | 35 Ų | 35 | 94.9 Ų | 94.9 | 22% | 0.215 | 51% | 0.514 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | -4.8 | -173.7 | 54.6 | 0 | 0 | 0 | 0 | 116.1 | F116 Q119 F130 T208 D212 V213 | F116-T210 HydrophobicContact CD2-CG2 4.39Å; Q119-T210 VanDerWaalsContact CD-OG1 3.3Å; Q119-T210 PolarHBondContact NE2-OG1 2.83Å; Q119-T210 PolarHBondContact OE1-OG1 2.85Å; F130-T210 HydrophobicContact CD1-CG2 3.66Å; F130-T210 HydrophobicContact CE1-CG2 3.69Å; F130-T210 HydrophobicContact CG-CG2 4.4Å; F130-T210 HydrophobicContact CZ-CG2 4.44Å; T208-T210 PolarHBondContact O-N 3.46Å; T208-T210 VanDerWaalsContact O-N 3.08Å; T210-D212 PolarHBondContact O-N 2.99Å; T210-V213 PolarHBondContact O-N 3.05Å |
| 211 | S | 45.4 | Very low | 43.7 | Very low | 102 Ų | 102 | 102.7 Ų | 102.7 | 71% | 0.713 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -23.7 | 174 | -157.9 | 0 | 0 | 0 | 0 | 111.4 | ||
| 212 | D | 38.5 | Very low | 41.9 | Very low | 110 Ų | 110 | 102.8 Ų | 102.8 | 59% | 0.588 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | -4 | -169.4 | -141.8 | 30.7 | 0 | 0 | 0 | 113.6 | R93 T210 | R93-D212 VanDerWaalsContact CZ-O 3.27Å; R93-D212 VanDerWaalsContact NH1-CB 3.31Å; R93-D212 PolarHBondContact NH1-O 3.29Å; R93-D212 IonicContact NH1-OD2 2.73Å; R93-D212 PolarHBondContact NH1-OD2 3.44Å; R93-D212 PolarHBondContact NH2-O 3.15Å; T210-D212 PolarHBondContact O-N 2.99Å |
| 213 | V | 39.5 | Very low | 40.5 | Very low | 44 Ų | 44 | 108.5 Ų | 108.5 | 27% | 0.267 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | -11.7 | -175.8 | 178.1 | 0 | 0 | 0 | 0 | 113 | F130 I209 T210 M215 | F130-V213 HydrophobicContact CB-CG1 4.06Å; I209-V213 WeakPolarHBondContact O-CG2 3.46Å; T210-V213 PolarHBondContact O-N 3.05Å; V213-M215 PolarHBondContact O-N 3.02Å |
| 214 | V | 34.8 | Very low | 39.3 | Very low | 115 Ų | 115 | 115.9 Ų | 115.9 | 70% | 0.697 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -5.7 | -179.7 | -171 | 0 | 0 | 0 | 0 | 112.7 | ||
| 215 | M | 38 | Very low | 37.8 | Very low | 125 Ų | 125 | 121.7 Ų | 121.7 | 62% | 0.616 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -121.4 | 128.7 | 173.1 | -70.6 | -69.9 | -149.5 | 0 | 0 | 110 | V213 | V213-M215 PolarHBondContact O-N 3.02Š|
| 216 | E | 32.6 | Very low | 36.8 | Very low | 127 Ų | 127 | 119.3 Ų | 119.3 | 59% | 0.593 | 62% | 0.622 | S | S | * | * | trans | 104.5 | 97.5 | 166.9 | -50.6 | -147.1 | 171.2 | 0 | 0 | 117.5 | P218 K239 | E216-P218 HydrophobicContact CB-CG 4.16Å; E216-K239 VanDerWaalsContact CD-NZ 3.33Å; E216-K239 IonicContact OE1-NZ 3.78Å; E216-K239 PolarHBondContact OE1-NZ 3.46Å; E216-K239 IonicContact OE2-NZ 3.23Å | ||
| 217 | E | 31.1 | Very low | 35.8 | Very low | 179 Ų | 179 | 117.4 Ų | 117.4 | 84% | 0.836 | 63% | 0.631 | S | S | * | * | -93.3 | 127.2 | 126.6 | -73.7 | -162.2 | 157.2 | 0 | 0 | 107.7 | |||||
| 218 | P | 32.1 | Very low | 34.4 | Very low | 98 Ų | 98 | 120.6 Ų | 120.6 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | trans | -120.6 | 133 | 154.2 | 5.5 | 16.9 | 0 | 0 | 0 | 111.1 | E216 | E216-P218 HydrophobicContact CB-CG 4.16Š| ||
| 219 | C | 25.3 | Very low | 33.4 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 88% | 0.878 | 68% | 0.682 | S | S | * | * | trans | -58 | 139.8 | 163.7 | -76.4 | 0 | 0 | 0 | 0 | 111 | H221 | C219-H221 PolarHBondContact O-N 2.87Š| ||
| 220 | E | 26.8 | Very low | 32.2 | Very low | 167 Ų | 167 | 132.4 Ų | 132.4 | 78% | 0.78 | 71% | 0.714 | S | S | * | * | trans | -59.4 | 123.8 | 171.8 | -64.9 | 172 | 163.1 | 0 | 0 | 111 | ||||
| 221 | H | 26.4 | Very low | 31.3 | Very low | 192 Ų | 192 | 139.2 Ų | 139.2 | 89% | 0.889 | 74% | 0.743 | S | S | * | * | trans | -140.9 | 116.5 | 144.3 | -97.8 | -54.5 | 0 | 0 | 0 | 109.2 | C219 | C219-H221 PolarHBondContact O-N 2.87Š| ||
| 222 | H | 30.4 | Very low | 31 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | -56.3 | 137.2 | 171.4 | -65.4 | -92.9 | 0 | 0 | 0 | 111.9 | ||||
| 223 | Q | 28.3 | Very low | 30.4 | Very low | 197 Ų | 197 | 145.6 Ų | 145.6 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | -164.1 | 130.4 | 122.5 | -109 | 168.4 | 18.8 | 0 | 0 | 110.6 | |||||
| 224 | E | 29.9 | Very low | 30.2 | Very low | 175 Ų | 175 | 149.7 Ų | 149.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -71.3 | 143.1 | 171 | -61.4 | 172.5 | 154.9 | 0 | 0 | 109.2 | ||||
| 225 | D | 25.5 | Very low | 30.2 | Very low | 159 Ų | 159 | 148.6 Ų | 148.6 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | 176.8 | 144.2 | 114.3 | -97.9 | -28.6 | 0 | 0 | 0 | 114.7 | |||||
| 226 | S | 27.6 | Very low | 30.1 | Very low | 110 Ų | 110 | 147.9 Ų | 147.9 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | 87 | 98.3 | 145.9 | -151.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 227 | V | 30.3 | Very low | 30.1 | Very low | 146 Ų | 146 | 147 Ų | 147 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | trans | -0.9 | 130.6 | 138.5 | -176 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 228 | G | 27.6 | Very low | 30.6 | Very low | 79 Ų | 79 | 142.7 Ų | 142.7 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | trans | -179 | 112.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 229 | E | 30.6 | Very low | 31.2 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | -87.9 | 151.2 | -171.4 | -148.9 | -171.3 | -169.2 | 0 | 0 | 113.1 | ||||
| 230 | K | 29.3 | Very low | 32.4 | Very low | 161 Ų | 161 | 148.7 Ų | 148.7 | 70% | 0.7 | 78% | 0.775 | S | S | * | * | trans | 81.7 | 105.1 | 160.7 | -51.5 | -179.3 | -176.1 | 172.9 | 0 | 118.9 | ||||
| 231 | H | 27.7 | Very low | 33.8 | Very low | 178 Ų | 178 | 145.8 Ų | 145.8 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | 179.4 | 147.4 | 96.9 | -108.9 | -95.7 | 0 | 0 | 0 | 111 | D233 | H231-D233 PolarHBondContact O-N 3.3Š| |||
| 232 | K | 38 | Very low | 35.3 | Very low | 207 Ų | 207 | 142.1 Ų | 142.1 | 90% | 0.9 | 75% | 0.751 | S | S | * | * | trans | -44.9 | 116.9 | 171.2 | -79.3 | 171.2 | 169.6 | 175 | 0 | 111.6 | ||||
| 233 | D | 27.3 | Very low | 36.8 | Very low | 138 Ų | 138 | 139.1 Ų | 139.1 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | -144 | 130.3 | 139.7 | -149.7 | -8.1 | 0 | 0 | 0 | 108 | H231 S235 | H231-D233 PolarHBondContact O-N 3.3Å; D233-S235 PolarHBondContact O-N 3.41Å | ||
| 234 | V | 35.4 | Very low | 38.6 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 79% | 0.794 | 71% | 0.712 | S | S | * | * | trans | -73 | 70.6 | 171.6 | 177 | 0 | 0 | 0 | 0 | 106 | T236 | V234-T236 HydrophobicContact CG1-CG2 4.49Å; V234-T236 PolarHBondContact O-N 3.49Å | ||
| 235 | S | 34.7 | Very low | 40.8 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 64% | 0.643 | 70% | 0.704 | S | S | * | * | trans | -72 | 84.9 | 162.8 | -71 | 0 | 0 | 0 | 0 | 105.7 | D233 C237 | D233-S235 PolarHBondContact O-N 3.41Å; S235-C237 PolarHBondContact O-N 2.91Å | ||
| 236 | T | 34.5 | Very low | 43.4 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 67% | 0.669 | 68% | 0.684 | S | S | * | * | trans | -46.8 | 104.5 | 147.6 | 45.4 | 0 | 0 | 0 | 0 | 104.9 | V234 S238 | V234-T236 HydrophobicContact CG1-CG2 4.49Å; V234-T236 PolarHBondContact O-N 3.49Å; T236-S238 PolarHBondContact O-N 3.37Å; T236-S238 PolarHBondContact O-OG 3.29Å | ||
| 237 | C | 32.7 | Very low | 45.9 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 74% | 0.736 | 66% | 0.662 | S | S | * | * | trans | -70.3 | 68.5 | 172.9 | -169.9 | 0 | 0 | 0 | 0 | 106.2 | S235 K239 | S235-C237 PolarHBondContact O-N 2.91Å; C237-K239 PolarHBondContact O-N 3.25Å | ||
| 238 | S | 41.3 | Very low | 48.5 | Very low | 88 Ų | 88 | 120.2 Ų | 120.2 | 62% | 0.615 | 64% | 0.636 | S | S | * | * | trans | -63 | 85.6 | 156.4 | 46.9 | 0 | 0 | 0 | 0 | 103.5 | T236 R240 | T236-S238 PolarHBondContact O-N 3.37Å; T236-S238 PolarHBondContact O-OG 3.29Å; S238-R240 VanDerWaalsContact C-N 3.35Å; S238-R240 PolarHBondContact O-N 3.41Å | ||
| 239 | K | 46.4 | Very low | 51.2 | Low | 113 Ų | 113 | 119 Ų | 119 | 49% | 0.491 | 62% | 0.619 | S | S | . | * | trans | -42 | 111.5 | 165.1 | -70.1 | 177.7 | -178 | 176 | 0 | 103.6 | E216 C237 L241 | E216-K239 VanDerWaalsContact CD-NZ 3.33Å; E216-K239 IonicContact OE1-NZ 3.78Å; E216-K239 PolarHBondContact OE1-NZ 3.46Å; E216-K239 IonicContact OE2-NZ 3.23Å; C237-K239 PolarHBondContact O-N 3.25Å; K239-L241 HydrophobicContact CB-CD2 4.29Å; K239-L241 WeakPolarHBondContact O-CG 3.44Å; K239-L241 PolarHBondContact O-N 3.37Å | ||
| 240 | R | 50.3 | Low | 53.9 | Low | 241 Ų | 241 | 112.7 Ų | 112.7 | 91% | 0.909 | 59% | 0.589 | S | S | * | * | trans | -67.5 | 81.8 | -177.8 | -70.9 | -177.2 | -179.8 | -177.7 | 0.7 | 105.7 | S238 L242 | S238-R240 VanDerWaalsContact C-N 3.35Å; S238-R240 PolarHBondContact O-N 3.41Å; R240-L242 PolarHBondContact O-N 3.44Å | ||
| 241 | L | 54.8 | Low | 56.8 | Low | 106 Ų | 106 | 106 Ų | 106 | 56% | 0.555 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 124.2 | -177.2 | -69 | 179.8 | 0 | 0 | 0 | 105.5 | K239 R376 | K239-L241 HydrophobicContact CB-CD2 4.29Å; K239-L241 WeakPolarHBondContact O-CG 3.44Å; K239-L241 PolarHBondContact O-N 3.37Å; L241-R376 VanDerWaalsContact CB-NH1 3.34Å |
| 242 | L | 59.4 | Low | 59.7 | Low | 115 Ų | 115 | 106.5 Ų | 106.5 | 60% | 0.602 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 144.1 | 178.6 | -70.8 | 163.7 | 0 | 0 | 0 | 109.4 | R240 R376 | R240-L242 PolarHBondContact O-N 3.44Å; L242-R376 PolarHBondContact O-NH1 2.71Å |
| 243 | P | 61.4 | Low | 62.1 | Low | 101 Ų | 101 | 99 Ų | 99 | 66% | 0.656 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -50.7 | 147.9 | 179.5 | -24.4 | 31.5 | 0 | 0 | 0 | 111.3 | R245 | P243-R245 WeakPolarHBondContact O-CG 3.37Å; P243-R245 PolarHBondContact O-N 2.63Å |
| 244 | D | 65.9 | Low | 65.2 | Low | 38 Ų | 38 | 92.5 Ų | 92.5 | 20% | 0.203 | 50% | 0.498 | C | S | . | . | trans | -58.4 | 105 | 176.9 | -167.3 | -20.2 | 0 | 0 | 0 | 109.9 | T246 S374 | D244-T246 VanDerWaalsContact CG-OG1 3.32Å; D244-T246 PolarHBondContact O-N 3Å; D244-T246 VanDerWaalsContact OD1-CB 3.28Å; D244-T246 WeakPolarHBondContact OD1-CB 3.39Å; D244-T246 WeakPolarHBondContact OD1-CG2 3.43Å; D244-T246 PolarHBondContact OD1-N 3.46Å; D244-T246 PolarHBondContact OD1-OG1 3.35Å; D244-T246 PolarHBondContact OD2-OG1 3.23Å; D244-S374 WeakPolarHBondContact OD2-CB 3.49Å; D244-S374 PolarHBondContact OD2-OG 3.28Å | ||
| 245 | R | 76.7 | Confident | 67.9 | Low | 174 Ų | 174 | 89.3 Ų | 89.3 | 66% | 0.657 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -76.8 | -14.9 | -178.4 | -65.4 | -176 | 175.7 | 177.4 | -2.5 | 111.7 | P243 A249 | P243-R245 WeakPolarHBondContact O-CG 3.37Å; P243-R245 PolarHBondContact O-N 2.63Å; R245-A249 WeakPolarHBondContact O-CB 3.44Å; R245-A249 PolarHBondContact O-N 3.33Å |
| 246 | T | 78.9 | Confident | 70.7 | Confident | 69 Ų | 69 | 91.6 Ų | 91.6 | 42% | 0.423 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -72.6 | -42.3 | -175.1 | 68.9 | 0 | 0 | 0 | 0 | 111.7 | D244 A249 H250 R371 | D244-T246 VanDerWaalsContact CG-OG1 3.32Å; D244-T246 PolarHBondContact O-N 3Å; D244-T246 VanDerWaalsContact OD1-CB 3.28Å; D244-T246 WeakPolarHBondContact OD1-CB 3.39Å; D244-T246 WeakPolarHBondContact OD1-CG2 3.43Å; D244-T246 PolarHBondContact OD1-N 3.46Å; D244-T246 PolarHBondContact OD1-OG1 3.35Å; D244-T246 PolarHBondContact OD2-OG1 3.23Å; T246-A249 PolarHBondContact O-N 3.44Å; T246-H250 WeakPolarHBondContact O-CB 3.47Å; T246-H250 PolarHBondContact O-N 3.03Å; T246-R371 PolarHBondContact OG1-NH2 3.31Å |
| 247 | H | 80.8 | Confident | 73.5 | Confident | 67 Ų | 67 | 87 Ų | 87 | 31% | 0.31 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.8 | -48.1 | 174.3 | -178.4 | -97.8 | 0 | 0 | 0 | 110.9 | A249 H250 N251 E301 R371 | H247-A249 VanDerWaalsContact C-N 3.34Å; H247-A249 PolarHBondContact O-N 2.92Å; H247-H250 WeakPolarHBondContact O-CB 3.48Å; H247-H250 PolarHBondContact O-N 2.69Å; H247-H250 VanDerWaalsContact O-N 3.15Å; H247-N251 PolarHBondContact CE1-ND2 2.93Å; H247-N251 PolarHBondContact O-N 3.47Å; H247-E301 IonicContact CD2-OE2 3.44Å; H247-E301 PolarHBondContact CD2-OE2 2.64Å; H247-E301 VanDerWaalsContact CD2-OE2 3.24Å; H247-E301 IonicContact NE2-OE2 3.09Å; H247-E301 PolarHBondContact NE2-OE2 2.81Å; H247-R371 PolarHBondContact CD2-NH1 3.42Å |
| 248 | A | 84.3 | Confident | 76.4 | Confident | 42 Ų | 42 | 82 Ų | 82 | 35% | 0.347 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62 | -38.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | R252 | A248-R252 VanDerWaalsContact O-CG 3.27Å; A248-R252 WeakPolarHBondContact O-CG 3.47Å; A248-R252 PolarHBondContact O-N 3.07Å; A248-R252 VanDerWaalsContact O-N 3.11Å |
| 249 | A | 85.9 | Confident | 78.9 | Confident | 54 Ų | 54 | 81.3 Ų | 81.3 | 45% | 0.446 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67 | -38.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | R245 T246 H247 R252 A253 | R245-A249 WeakPolarHBondContact O-CB 3.44Å; R245-A249 PolarHBondContact O-N 3.33Å; T246-A249 PolarHBondContact O-N 3.44Å; H247-A249 VanDerWaalsContact C-N 3.34Å; H247-A249 PolarHBondContact O-N 2.92Å; A249-R252 PolarHBondContact O-N 3.27Å; A249-A253 PolarHBondContact O-N 3.21Å |
| 250 | H | 86.9 | Confident | 81.1 | Confident | 34 Ų | 34 | 77.1 Ų | 77.1 | 16% | 0.157 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.5 | -46.6 | 175.5 | -172.5 | -99.1 | 0 | 0 | 0 | 111.5 | T246 H247 R252 A253 N254 | T246-H250 WeakPolarHBondContact O-CB 3.47Å; T246-H250 PolarHBondContact O-N 3.03Å; H247-H250 WeakPolarHBondContact O-CB 3.48Å; H247-H250 PolarHBondContact O-N 2.69Å; H247-H250 VanDerWaalsContact O-N 3.15Å; H250-R252 VanDerWaalsContact C-N 3.28Å; H250-R252 PolarHBondContact O-N 3.03Å; H250-A253 CarbonylContact O-C 3.6Å; H250-A253 WeakPolarHBondContact O-CA 3.45Å; H250-A253 WeakPolarHBondContact O-CB 3.49Å; H250-A253 PolarHBondContact O-N 2.93Å; H250-N254 PolarHBondContact CE1-ND2 2.63Å; H250-N254 PolarHBondContact ND1-ND2 3.29Å; H250-N254 PolarHBondContact O-N 2.9Å |
| 251 | N | 88.5 | Confident | 83.1 | Confident | 21 Ų | 21 | 65.7 Ų | 65.7 | 11% | 0.112 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 177 | -68.4 | 2.9 | 0 | 0 | 0 | 111.6 | H247 A253 N254 E255 Q305 | H247-N251 PolarHBondContact CE1-ND2 2.93Å; H247-N251 PolarHBondContact O-N 3.47Å; N251-A253 VanDerWaalsContact C-N 3.33Å; N251-A253 PolarHBondContact O-N 3.03Å; N251-N254 PolarHBondContact O-N 3.43Å; N251-E255 PolarHBondContact O-N 3.49Å; N251-Q305 PolarHBondContact O-NE2 2.93Å |
| 252 | R | 88.9 | Confident | 84.9 | Confident | 187 Ų | 187 | 62.5 Ų | 62.5 | 71% | 0.706 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64 | -35.6 | 172.5 | -71.3 | 171.5 | -173.4 | 176.3 | 2 | 113.1 | A248 A249 H250 | A248-R252 VanDerWaalsContact O-CG 3.27Å; A248-R252 WeakPolarHBondContact O-CG 3.47Å; A248-R252 PolarHBondContact O-N 3.07Å; A248-R252 VanDerWaalsContact O-N 3.11Å; A249-R252 PolarHBondContact O-N 3.27Å; H250-R252 VanDerWaalsContact C-N 3.28Å; H250-R252 PolarHBondContact O-N 3.03Å |
| 253 | A | 89.6 | Confident | 86.4 | Confident | 49 Ų | 49 | 64.2 Ų | 64.2 | 41% | 0.405 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70 | -43.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A249 H250 N251 E255 K256 | A249-A253 PolarHBondContact O-N 3.21Å; H250-A253 CarbonylContact O-C 3.6Å; H250-A253 WeakPolarHBondContact O-CA 3.45Å; H250-A253 WeakPolarHBondContact O-CB 3.49Å; H250-A253 PolarHBondContact O-N 2.93Å; N251-A253 VanDerWaalsContact C-N 3.33Å; N251-A253 PolarHBondContact O-N 3.03Å; A253-E255 PolarHBondContact O-N 3.41Å; A253-K256 VanDerWaalsContact O-CB 3.29Å; A253-K256 WeakPolarHBondContact O-CB 3.49Å; A253-K256 PolarHBondContact O-N 3.38Å |
| 254 | N | 92.3 | Very high | 87.7 | Confident | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.4 | -33.4 | 175.2 | -78.5 | -6.7 | 0 | 0 | 0 | 112.4 | H250 N251 K256 L257 V258 Y299 L300 Q305 | H250-N254 PolarHBondContact CE1-ND2 2.63Å; H250-N254 PolarHBondContact ND1-ND2 3.29Å; H250-N254 PolarHBondContact O-N 2.9Å; N251-N254 PolarHBondContact O-N 3.43Å; N254-K256 PolarHBondContact O-N 3.28Å; N254-K256 VanDerWaalsContact O-N 3.17Å; N254-L257 WeakPolarHBondContact O-CA 3.39Å; N254-L257 WeakPolarHBondContact O-CB 3.25Å; N254-L257 PolarHBondContact O-N 2.95Å; N254-V258 WeakPolarHBondContact O-CG2 3.49Å; N254-V258 PolarHBondContact O-N 3.05Å; N254-Y299 PolarHBondContact ND2-O 3.47Å; N254-L300 HydrophobicContact CB-CD2 3.87Å; N254-Q305 VanDerWaalsContact CB-OE1 3.27Å |
| 255 | E | 92.3 | Very high | 88.9 | Confident | 64 Ų | 64 | 67.4 Ų | 67.4 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.5 | -31.5 | 175.3 | -165.2 | 64.1 | -156.4 | 0 | 0 | 111.8 | N251 A253 V258 H259 Q305 R308 | N251-E255 PolarHBondContact O-N 3.49Å; A253-E255 PolarHBondContact O-N 3.41Å; E255-V258 PolarHBondContact O-N 3.02Å; E255-H259 VanDerWaalsContact O-CB 3.26Å; E255-H259 WeakPolarHBondContact O-CB 2.73Å; E255-H259 PolarHBondContact O-N 3.27Å; E255-Q305 WeakPolarHBondContact OE2-CG 3.49Å; E255-Q305 PolarHBondContact OE2-NE2 2.87Å; E255-R308 IonicContact OE1-NH1 2.63Å; E255-R308 PolarHBondContact OE1-NH1 2.84Å; E255-R308 VanDerWaalsContact OE1-NH1 3.09Å |
| 256 | K | 92.6 | Very high | 89.3 | Confident | 140 Ų | 140 | 64.9 Ų | 64.9 | 61% | 0.609 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -67.2 | -38.8 | 174 | -58.9 | -179 | 179.1 | 179.1 | 0 | 111.6 | A253 N254 H259 F260 V355 | A253-K256 VanDerWaalsContact O-CB 3.29Å; A253-K256 WeakPolarHBondContact O-CB 3.49Å; A253-K256 PolarHBondContact O-N 3.38Å; N254-K256 PolarHBondContact O-N 3.28Å; N254-K256 VanDerWaalsContact O-N 3.17Å; K256-H259 PolarHBondContact O-N 3.14Å; K256-F260 WeakPolarHBondContact O-CB 3.25Å; K256-F260 PolarHBondContact O-N 3.32Å; K256-V355 HydrophobicContact CB-CG1 4.44Å |
| 257 | L | 93.1 | Very high | 89.9 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.9 | -46.5 | 175.1 | -55.6 | 178.7 | 0 | 0 | 0 | 110.4 | N254 H259 F260 I261 Y299 A351 I352 V355 | N254-L257 WeakPolarHBondContact O-CA 3.39Å; N254-L257 WeakPolarHBondContact O-CB 3.25Å; N254-L257 PolarHBondContact O-N 2.95Å; L257-H259 VanDerWaalsContact C-N 3.3Å; L257-H259 PolarHBondContact O-N 2.86Å; L257-F260 WeakPolarHBondContact O-CB 3.37Å; L257-F260 PolarHBondContact O-N 2.85Å; L257-F260 VanDerWaalsContact O-N 3.16Å; L257-I261 VanDerWaalsContact O-CG1 3.27Å; L257-I261 WeakPolarHBondContact O-CG1 3.48Å; L257-I261 PolarHBondContact O-N 3.31Å; L257-Y299 HydrophobicContact CD1-CE1 3.78Å; L257-A351 HydrophobicContact CB-CB 4.27Å; L257-A351 HydrophobicContact CD2-CB 4.17Å; L257-I352 HydrophobicContact CD1-CG1 3.94Å; L257-I352 HydrophobicContact CD2-CG1 4.03Å; L257-V355 HydrophobicContact CD2-CB 3.97Å; L257-V355 HydrophobicContact CD2-CG1 4.32Å; L257-V355 HydrophobicContact CD2-CG2 3.98Å |
| 258 | V | 93.2 | Very high | 90.4 | Very high | 5 Ų | 5 | 60.9 Ų | 60.9 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 175.8 | 177 | 0 | 0 | 0 | 0 | 110.6 | N254 E255 F260 I261 V262 Q305 R308 V309 | N254-V258 WeakPolarHBondContact O-CG2 3.49Å; N254-V258 PolarHBondContact O-N 3.05Å; E255-V258 PolarHBondContact O-N 3.02Å; V258-F260 VanDerWaalsContact C-N 3.35Å; V258-F260 PolarHBondContact O-N 3.45Å; V258-I261 PolarHBondContact O-N 2.92Å; V258-V262 HydrophobicContact CG1-CG2 4.19Å; V258-V262 WeakPolarHBondContact O-CB 3.38Å; V258-V262 PolarHBondContact O-N 3.41Å; V258-Q305 HydrophobicContact CG2-CB 3.91Å; V258-Q305 HydrophobicContact CG2-CG 4.16Å; V258-R308 HydrophobicContact CG1-CB 4.38Å; V258-V309 HydrophobicContact CB-CG2 4.31Å; V258-V309 HydrophobicContact CG1-CG2 4.04Å; V258-V309 HydrophobicContact CG2-CG2 3.89Å |
| 259 | H | 93.9 | Very high | 90.7 | Very high | 73 Ų | 73 | 67.6 Ų | 67.6 | 34% | 0.338 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -59.9 | -44.5 | 176.1 | -175.4 | -79.7 | 0 | 0 | 0 | 112.2 | E255 K256 L257 I261 K263 Q264 | E255-H259 VanDerWaalsContact O-CB 3.26Å; E255-H259 WeakPolarHBondContact O-CB 2.73Å; E255-H259 PolarHBondContact O-N 3.27Å; K256-H259 PolarHBondContact O-N 3.14Å; L257-H259 VanDerWaalsContact C-N 3.3Å; L257-H259 PolarHBondContact O-N 2.86Å; H259-I261 VanDerWaalsContact C-N 3.35Å; H259-K263 VanDerWaalsContact CD2-CD 3.5Å; H259-K263 WeakPolarHBondContact CD2-CD 3.37Å; H259-K263 WeakPolarHBondContact O-CA 3.27Å; H259-K263 WeakPolarHBondContact O-CB 3.45Å; H259-K263 PolarHBondContact O-N 3.07Å; H259-Q264 PolarHBondContact CE1-NE2 3.06Å; H259-Q264 PolarHBondContact ND1-NE2 3.18Å; H259-Q264 PolarHBondContact O-N 2.88Å |
| 260 | F | 93.6 | Very high | 90.9 | Very high | 25 Ų | 25 | 66.6 Ų | 66.6 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -63.3 | -40 | 177.9 | -169.7 | -91.4 | 0 | 0 | 0 | 112.2 | K256 L257 V258 R265 M266 V267 A351 V355 | K256-F260 WeakPolarHBondContact O-CB 3.25Å; K256-F260 PolarHBondContact O-N 3.32Å; L257-F260 WeakPolarHBondContact O-CB 3.37Å; L257-F260 PolarHBondContact O-N 2.85Å; L257-F260 VanDerWaalsContact O-N 3.16Å; V258-F260 VanDerWaalsContact C-N 3.35Å; V258-F260 PolarHBondContact O-N 3.45Å; F260-R265 PolarHBondContact O-N 3.4Å; F260-M266 HydrophobicContact CD1-CB 3.95Å; F260-M266 HydrophobicContact CD2-CB 4.48Å; F260-M266 HydrophobicContact CD2-CG 4.31Å; F260-M266 HydrophobicContact CE1-CB 3.36Å; F260-M266 HydrophobicContact CE1-CG 4.17Å; F260-M266 HydrophobicContact CE2-CB 3.94Å; F260-M266 HydrophobicContact CE2-CG 3.83Å; F260-M266 HydrophobicContact CG-CB 4.48Å; F260-M266 HydrophobicContact CZ-CB 3.34Å; F260-M266 HydrophobicContact CZ-CG 3.75Å; F260-M266 PolarHBondContact O-N 3.4Å; F260-V267 HydrophobicContact CD1-CG1 4.28Å; F260-V267 HydrophobicContact CE1-CG1 4.1Å; F260-A351 HydrophobicContact CD1-CB 3.91Å; F260-V355 HydrophobicContact CB-CG2 3.77Å; F260-V355 HydrophobicContact CD1-CG2 4.49Å; F260-V355 HydrophobicContact CD2-CG2 3.74Å; F260-V355 HydrophobicContact CE2-CG2 4.46Å; F260-V355 HydrophobicContact CG-CG2 3.77Å |
| 261 | I | 93 | Very high | 91.1 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -72.2 | -56 | 179.4 | -65.7 | 166 | 0 | 0 | 0 | 111.1 | L257 V258 H259 R265 V267 V309 Y312 A347 I348 A351 | L257-I261 VanDerWaalsContact O-CG1 3.27Å; L257-I261 WeakPolarHBondContact O-CG1 3.48Å; L257-I261 PolarHBondContact O-N 3.31Å; V258-I261 PolarHBondContact O-N 2.92Å; H259-I261 VanDerWaalsContact C-N 3.35Å; I261-R265 VanDerWaalsContact O-CA 3.32Å; I261-R265 WeakPolarHBondContact O-CA 3.49Å; I261-R265 PolarHBondContact O-N 2.86Å; I261-V267 HydrophobicContact CB-CG2 4.24Å; I261-V267 HydrophobicContact CG1-CG2 4.14Å; I261-V267 HydrophobicContact CG2-CG2 3.93Å; I261-V309 HydrophobicContact CG2-CG1 4.28Å; I261-Y312 HydrophobicContact CG2-CD1 3.72Å; I261-Y312 HydrophobicContact CG2-CE1 3.78Å; I261-Y312 WeakPolarHBondContact O-CE1 3.34Å; I261-A347 HydrophobicContact CD1-CB 4.19Å; I261-A347 HydrophobicContact CG2-CB 4.39Å; I261-I348 HydrophobicContact CD1-CG1 4.44Å; I261-A351 HydrophobicContact CD1-CB 3.73Å; I261-A351 HydrophobicContact CG1-CB 3.55Å |
| 262 | V | 92.8 | Very high | 91.2 | Very high | 39 Ų | 39 | 65.7 Ų | 65.7 | 24% | 0.236 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -87.3 | -46.1 | -166.4 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | V258 R265 V309 Y312 | V258-V262 HydrophobicContact CG1-CG2 4.19Å; V258-V262 WeakPolarHBondContact O-CB 3.38Å; V258-V262 PolarHBondContact O-N 3.41Å; V262-R265 WeakPolarHBondContact O-CG 3.36Å; V262-V309 HydrophobicContact CG2-CG2 4.21Å; V262-Y312 HydrophobicContact CG1-CG 4.41Å; V262-Y312 HydrophobicContact CG2-CD1 4.32Å; V262-Y312 HydrophobicContact CG2-CG 4.19Å |
| 263 | K | 89.6 | Confident | 91.1 | Very high | 151 Ų | 151 | 57.6 Ų | 57.6 | 66% | 0.657 | 27% | 0.272 | S | S | * | . | I | π-helix | trans | -85.6 | -47.3 | -174.9 | -58 | -159.6 | -162.5 | 173.1 | 0 | 112 | H259 | H259-K263 VanDerWaalsContact CD2-CD 3.5Å; H259-K263 WeakPolarHBondContact CD2-CD 3.37Å; H259-K263 WeakPolarHBondContact O-CA 3.27Å; H259-K263 WeakPolarHBondContact O-CB 3.45Å; H259-K263 PolarHBondContact O-N 3.07Å |
| 264 | Q | 89 | Confident | 91 | Very high | 96 Ų | 96 | 55.3 Ų | 55.3 | 45% | 0.449 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -83.3 | -18.1 | -179.1 | -60.1 | 178.7 | -6.5 | 0 | 0 | 112.8 | H259 M266 | H259-Q264 PolarHBondContact CE1-NE2 3.06Å; H259-Q264 PolarHBondContact ND1-NE2 3.18Å; H259-Q264 PolarHBondContact O-N 2.88Å; Q264-M266 HydrophobicContact CB-CG 3.7Å; Q264-M266 PolarHBondContact O-N 2.87Å |
| 265 | R | 90.8 | Very high | 90.7 | Very high | 109 Ų | 109 | 55.2 Ų | 55.2 | 41% | 0.411 | 25% | 0.253 | S | S | . | . | trans | 54.3 | 26.6 | 175.7 | -61.4 | -179 | 166 | -145.8 | 9.2 | 113.9 | F260 I261 V262 V267 E268 Y312 | F260-R265 PolarHBondContact O-N 3.4Å; I261-R265 VanDerWaalsContact O-CA 3.32Å; I261-R265 WeakPolarHBondContact O-CA 3.49Å; I261-R265 PolarHBondContact O-N 2.86Å; V262-R265 WeakPolarHBondContact O-CG 3.36Å; R265-V267 PolarHBondContact O-N 2.98Å; R265-E268 HydrophobicContact CB-CB 4.31Å; R265-E268 VanDerWaalsContact CD-OE2 3.3Å; R265-E268 WeakPolarHBondContact CD-OE2 3.44Å; R265-E268 IonicContact NE-OE2 3.43Å; R265-E268 IonicContact NH1-OE2 4Å; R265-E268 PolarHBondContact NH1-OE2 2.83Å; R265-E268 WeakPolarHBondContact O-CB 3.33Å; R265-E268 PolarHBondContact O-N 2.84Å; R265-Y312 HydrophobicContact CG-CE2 3.96Å | ||
| 266 | M | 86.4 | Confident | 90.2 | Very high | 122 Ų | 122 | 56.6 Ų | 56.6 | 60% | 0.601 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -22.2 | -173.1 | -68 | -63.2 | -72.9 | 0 | 0 | 112.6 | F260 Q264 | F260-M266 HydrophobicContact CD1-CB 3.95Å; F260-M266 HydrophobicContact CD2-CB 4.48Å; F260-M266 HydrophobicContact CD2-CG 4.31Å; F260-M266 HydrophobicContact CE1-CB 3.36Å; F260-M266 HydrophobicContact CE1-CG 4.17Å; F260-M266 HydrophobicContact CE2-CB 3.94Å; F260-M266 HydrophobicContact CE2-CG 3.83Å; F260-M266 HydrophobicContact CG-CB 4.48Å; F260-M266 HydrophobicContact CZ-CB 3.34Å; F260-M266 HydrophobicContact CZ-CG 3.75Å; F260-M266 PolarHBondContact O-N 3.4Å; Q264-M266 HydrophobicContact CB-CG 3.7Å; Q264-M266 PolarHBondContact O-N 2.87Å |
| 267 | V | 91.1 | Very high | 89.4 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -8.6 | 177.3 | -61.3 | 0 | 0 | 0 | 0 | 113.3 | F260 I261 R265 K269 R270 L271 A347 | F260-V267 HydrophobicContact CD1-CG1 4.28Å; F260-V267 HydrophobicContact CE1-CG1 4.1Å; I261-V267 HydrophobicContact CB-CG2 4.24Å; I261-V267 HydrophobicContact CG1-CG2 4.14Å; I261-V267 HydrophobicContact CG2-CG2 3.93Å; R265-V267 PolarHBondContact O-N 2.98Å; V267-K269 PolarHBondContact O-N 2.8Å; V267-R270 PolarHBondContact O-N 3.33Å; V267-R270 VanDerWaalsContact O-N 3.17Å; V267-L271 HydrophobicContact CB-CD1 4.21Å; V267-L271 HydrophobicContact CB-CG 4.44Å; V267-L271 HydrophobicContact CG2-CD1 3.73Å; V267-L271 HydrophobicContact CG2-CG 4.48Å; V267-L271 WeakPolarHBondContact O-CG 3.49Å; V267-L271 PolarHBondContact O-N 2.88Å; V267-A347 HydrophobicContact CG2-CB 4.43Å |
| 268 | E | 91.8 | Very high | 88.8 | Confident | 49 Ų | 49 | 57.6 Ų | 57.6 | 23% | 0.229 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.4 | -46.1 | -172.3 | -172 | 164.4 | 150.4 | 0 | 0 | 112.5 | R265 R270 L271 L272 Y312 L316 | R265-E268 HydrophobicContact CB-CB 4.31Å; R265-E268 VanDerWaalsContact CD-OE2 3.3Å; R265-E268 WeakPolarHBondContact CD-OE2 3.44Å; R265-E268 IonicContact NE-OE2 3.43Å; R265-E268 IonicContact NH1-OE2 4Å; R265-E268 PolarHBondContact NH1-OE2 2.83Å; R265-E268 WeakPolarHBondContact O-CB 3.33Å; R265-E268 PolarHBondContact O-N 2.84Å; E268-R270 VanDerWaalsContact C-N 3.32Å; E268-R270 PolarHBondContact O-N 3.05Å; E268-L271 PolarHBondContact O-N 3.43Å; E268-L272 HydrophobicContact CG-CD1 3.94Å; E268-L272 HydrophobicContact CG-CG 4.3Å; E268-L272 WeakPolarHBondContact O-CB 3.26Å; E268-L272 VanDerWaalsContact O-CG 3.26Å; E268-L272 WeakPolarHBondContact O-CG 3.43Å; E268-L272 PolarHBondContact O-N 3.16Å; E268-Y312 WeakPolarHBondContact CB-OH 3.49Å; E268-Y312 PolarHBondContact OE2-OH 3.22Å; E268-Y312 VanDerWaalsContact OE2-OH 3.05Å; E268-L316 HydrophobicContact CG-CD1 4.23Å; E268-L316 HydrophobicContact CG-CD2 3.68Å |
| 269 | K | 90 | Very high | 88.3 | Confident | 183 Ų | 183 | 61.2 Ų | 61.2 | 80% | 0.796 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59.2 | -42.8 | 179.6 | -175.3 | 179.6 | 178.9 | -178.7 | 0 | 111.9 | V267 A273 | V267-K269 PolarHBondContact O-N 2.8Å; K269-A273 PolarHBondContact O-N 3.46Å; K269-A273 VanDerWaalsContact O-N 3.15Å |
| 270 | R | 89.7 | Confident | 87.6 | Confident | 33 Ų | 33 | 66.2 Ų | 66.2 | 13% | 0.125 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.8 | -48.5 | 178.4 | 176.7 | 55.5 | 158.1 | 131.8 | -9.7 | 110.7 | V267 E268 L272 A273 V274 Q279 E280 E346 Y350 | V267-R270 PolarHBondContact O-N 3.33Å; V267-R270 VanDerWaalsContact O-N 3.17Å; E268-R270 VanDerWaalsContact C-N 3.32Å; E268-R270 PolarHBondContact O-N 3.05Å; R270-L272 PolarHBondContact O-N 2.95Å; R270-A273 WeakPolarHBondContact O-CB 3.38Å; R270-A273 PolarHBondContact O-N 3.35Å; R270-A273 VanDerWaalsContact O-N 3.16Å; R270-V274 VanDerWaalsContact NH1-CG2 3.27Å; R270-V274 WeakPolarHBondContact O-CG2 3.36Å; R270-V274 PolarHBondContact O-N 3.01Å; R270-Q279 VanDerWaalsContact CD-CD 3.44Å; R270-Q279 VanDerWaalsContact NH1-CB 3.26Å; R270-Q279 VanDerWaalsContact NH1-OE1 3.13Å; R270-E280 PolarHBondContact NH1-O 3.4Å; R270-E280 VanDerWaalsContact NH1-O 3.12Å; R270-E280 PolarHBondContact NH2-O 3.43Å; R270-E346 IonicContact CZ-OE1 3.46Å; R270-E346 IonicContact NE-OE1 3.52Å; R270-E346 IonicContact NH1-OE1 3.24Å; R270-E346 IonicContact NH2-OE1 3.92Å; R270-E346 PolarHBondContact NH2-OE1 3.06Å; R270-Y350 HydrophobicContact CB-CD1 4.45Å; R270-Y350 HydrophobicContact CG-CD1 3.97Å; R270-Y350 HydrophobicContact CG-CD2 4.02Å; R270-Y350 HydrophobicContact CG-CE1 3.84Å; R270-Y350 HydrophobicContact CG-CE2 3.91Å; R270-Y350 HydrophobicContact CG-CG 4.08Å; R270-Y350 VanDerWaalsContact CZ-OH 3.27Å; R270-Y350 PolarHBondContact NE-OH 3.49Å; R270-Y350 PolarHBondContact NH2-OH 2.91Å |
| 271 | L | 91.3 | Very high | 87.2 | Confident | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -42.6 | -180 | -66.7 | 172.4 | 0 | 0 | 0 | 111.8 | V267 E268 A273 V274 I275 L313 L316 L343 E346 A347 | V267-L271 HydrophobicContact CB-CD1 4.21Å; V267-L271 HydrophobicContact CB-CG 4.44Å; V267-L271 HydrophobicContact CG2-CD1 3.73Å; V267-L271 HydrophobicContact CG2-CG 4.48Å; V267-L271 WeakPolarHBondContact O-CG 3.49Å; V267-L271 PolarHBondContact O-N 2.88Å; E268-L271 PolarHBondContact O-N 3.43Å; L271-A273 VanDerWaalsContact C-N 3.33Å; L271-A273 PolarHBondContact O-N 3.42Å; L271-V274 PolarHBondContact O-N 3.01Å; L271-I275 VanDerWaalsContact O-CG1 3.27Å; L271-I275 WeakPolarHBondContact O-CG1 3.39Å; L271-I275 PolarHBondContact O-N 3.08Å; L271-L313 HydrophobicContact CD1-CD2 3.46Å; L271-L313 VanDerWaalsContact CD1-CD2 3.46Å; L271-L316 HydrophobicContact CD1-CD1 3.98Å; L271-L343 HydrophobicContact CD2-CD2 4.21Å; L271-E346 HydrophobicContact CD2-CB 4.02Å; L271-E346 HydrophobicContact CD2-CG 4.22Å; L271-A347 HydrophobicContact CD1-CB 4.07Å; L271-A347 HydrophobicContact CD2-CB 4.2Å |
| 272 | L | 89.6 | Confident | 86.9 | Confident | 34 Ų | 34 | 71.4 Ų | 71.4 | 18% | 0.178 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 175.1 | -70.8 | 174.8 | 0 | 0 | 0 | 112.3 | E268 R270 V274 I275 R276 A320 | E268-L272 HydrophobicContact CG-CD1 3.94Å; E268-L272 HydrophobicContact CG-CG 4.3Å; E268-L272 WeakPolarHBondContact O-CB 3.26Å; E268-L272 VanDerWaalsContact O-CG 3.26Å; E268-L272 WeakPolarHBondContact O-CG 3.43Å; E268-L272 PolarHBondContact O-N 3.16Å; R270-L272 PolarHBondContact O-N 2.95Å; L272-V274 VanDerWaalsContact C-N 3.34Å; L272-I275 PolarHBondContact O-N 3.49Å; L272-R276 WeakPolarHBondContact O-CB 3.41Å; L272-R276 VanDerWaalsContact O-CG 3.25Å; L272-R276 WeakPolarHBondContact O-CG 3.49Å; L272-R276 PolarHBondContact O-N 3.04Å; L272-A320 HydrophobicContact CD2-CB 3.65Å |
| 273 | A | 88.3 | Confident | 86.6 | Confident | 17 Ų | 17 | 71 Ų | 71 | 14% | 0.14 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.5 | -36.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K269 R270 L271 G277 Q278 Q279 | K269-A273 PolarHBondContact O-N 3.46Å; K269-A273 VanDerWaalsContact O-N 3.15Å; R270-A273 WeakPolarHBondContact O-CB 3.38Å; R270-A273 PolarHBondContact O-N 3.35Å; R270-A273 VanDerWaalsContact O-N 3.16Å; L271-A273 VanDerWaalsContact C-N 3.33Å; L271-A273 PolarHBondContact O-N 3.42Å; A273-G277 PolarHBondContact O-N 3.36Å; A273-Q278 HydrophobicContact CB-CB 4.5Å; A273-Q278 PolarHBondContact O-N 2.68Å; A273-Q279 HydrophobicContact CB-CB 3.98Å; A273-Q279 PolarHBondContact O-N 3.23Å |
| 274 | V | 87.1 | Confident | 86.4 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.9 | -46.4 | 173.2 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | R270 L271 L272 R276 G277 L284 V342 E346 | R270-V274 VanDerWaalsContact NH1-CG2 3.27Å; R270-V274 WeakPolarHBondContact O-CG2 3.36Å; R270-V274 PolarHBondContact O-N 3.01Å; L271-V274 PolarHBondContact O-N 3.01Å; L272-V274 VanDerWaalsContact C-N 3.34Å; V274-R276 VanDerWaalsContact C-N 3.29Å; V274-R276 PolarHBondContact O-N 3.43Å; V274-G277 PolarHBondContact O-N 2.92Å; V274-L284 HydrophobicContact CG1-CD2 4.25Å; V274-V342 HydrophobicContact CG1-CG1 4.27Å; V274-E346 HydrophobicContact CG2-CG 4.35Å |
| 275 | I | 84.8 | Confident | 86.3 | Confident | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 176.7 | -64.4 | 162.1 | 0 | 0 | 0 | 110.7 | L271 L272 G277 A320 L327 F338 L343 | L271-I275 VanDerWaalsContact O-CG1 3.27Å; L271-I275 WeakPolarHBondContact O-CG1 3.39Å; L271-I275 PolarHBondContact O-N 3.08Å; L272-I275 PolarHBondContact O-N 3.49Å; I275-G277 PolarHBondContact O-N 3.25Å; I275-A320 HydrophobicContact CB-CB 4.33Å; I275-A320 HydrophobicContact CD1-CB 4.01Å; I275-A320 HydrophobicContact CG2-CB 3.72Å; I275-L327 HydrophobicContact CG2-CD1 4.28Å; I275-L327 WeakPolarHBondContact O-CD1 3.4Å; I275-F338 HydrophobicContact CG1-CE1 4.21Å; I275-L343 HydrophobicContact CD1-CD1 4.17Å; I275-L343 HydrophobicContact CD1-CD2 4.12Å; I275-L343 HydrophobicContact CG1-CD1 4.41Å; I275-L343 HydrophobicContact CG1-CD2 3.77Å |
| 276 | R | 82.4 | Confident | 85.9 | Confident | 93 Ų | 93 | 68.1 Ų | 68.1 | 35% | 0.351 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -4.7 | 177.8 | -67.5 | 171.3 | -172 | 179.2 | 3.7 | 113.7 | L272 V274 Q278 | L272-R276 WeakPolarHBondContact O-CB 3.41Å; L272-R276 VanDerWaalsContact O-CG 3.25Å; L272-R276 WeakPolarHBondContact O-CG 3.49Å; L272-R276 PolarHBondContact O-N 3.04Å; V274-R276 VanDerWaalsContact C-N 3.29Å; V274-R276 PolarHBondContact O-N 3.43Å; R276-Q278 HydrophobicContact CB-CG 3.95Å; R276-Q278 PolarHBondContact O-N 2.97Å |
| 277 | G | 76 | Confident | 85.7 | Confident | 30 Ų | 30 | 63.2 Ų | 63.2 | 31% | 0.309 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 27.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A273 V274 I275 R326 | A273-G277 PolarHBondContact O-N 3.36Å; V274-G277 PolarHBondContact O-N 2.92Å; I275-G277 PolarHBondContact O-N 3.25Å; G277-R326 PolarHBondContact O-NH1 3.48Å |
| 278 | Q | 81.3 | Confident | 85.2 | Confident | 142 Ų | 142 | 68.5 Ų | 68.5 | 66% | 0.664 | 32% | 0.32 | S | S | * | . | trans | -88.5 | -21.2 | 176.7 | -70.8 | -179.2 | -29.6 | 0 | 0 | 112.1 | A273 R276 | A273-Q278 HydrophobicContact CB-CB 4.5Å; A273-Q278 PolarHBondContact O-N 2.68Å; R276-Q278 HydrophobicContact CB-CG 3.95Å; R276-Q278 PolarHBondContact O-N 2.97Å | ||
| 279 | Q | 82.9 | Confident | 84.6 | Confident | 82 Ų | 82 | 68.5 Ų | 68.5 | 38% | 0.383 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -130.4 | 138.4 | -177.2 | -154.3 | 176.9 | -2.8 | 0 | 0 | 111.1 | R270 A273 | R270-Q279 VanDerWaalsContact CD-CD 3.44Å; R270-Q279 VanDerWaalsContact NH1-CB 3.26Å; R270-Q279 VanDerWaalsContact NH1-OE1 3.13Å; A273-Q279 HydrophobicContact CB-CB 3.98Å; A273-Q279 PolarHBondContact O-N 3.23Å |
| 280 | E | 79.2 | Confident | 83.5 | Confident | 177 Ų | 177 | 65.1 Ų | 65.1 | 83% | 0.827 | 33% | 0.331 | S | S | * | . | trans | -70 | 135.2 | 180 | -60 | -171.6 | 168.4 | 0 | 0 | 110.7 | R270 | R270-E280 PolarHBondContact NH1-O 3.4Å; R270-E280 VanDerWaalsContact NH1-O 3.12Å; R270-E280 PolarHBondContact NH2-O 3.43Å | ||
| 281 | S | 85.1 | Confident | 82.3 | Confident | 10 Ų | 10 | 72.1 Ų | 72.1 | 7% | 0.07 | 36% | 0.362 | C | S | . | . | trans | -133.8 | 130.4 | 171.7 | 165.9 | 0 | 0 | 0 | 0 | 108 | W283 L284 R285 E346 | S281-W283 PolarHBondContact O-N 3.2Å; S281-W283 PolarHBondContact OG-N 3.36Å; S281-L284 PolarHBondContact O-N 3.47Å; S281-L284 PolarHBondContact OG-N 3.48Å; S281-R285 PolarHBondContact O-N 3.1Å; S281-E346 WeakPolarHBondContact CB-OE2 3.49Å; S281-E346 PolarHBondContact OG-OE2 3.1Å | ||
| 282 | R | 86 | Confident | 81.1 | Confident | 126 Ų | 126 | 76.3 Ų | 76.3 | 48% | 0.475 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.6 | -33.4 | 174.6 | 70.5 | 175.1 | -76.7 | 179.3 | -2.1 | 111.7 | R285 S286 E364 | R282-R285 PolarHBondContact O-N 3.1Å; R282-S286 VanDerWaalsContact O-CB 3.31Å; R282-S286 WeakPolarHBondContact O-CB 3.34Å; R282-S286 PolarHBondContact O-N 2.91Å; R282-E364 WeakPolarHBondContact CD-OE1 2.85Å; R282-E364 IonicContact CZ-OE1 2.84Å; R282-E364 IonicContact NE-OE1 3.36Å; R282-E364 PolarHBondContact NE-OE1 3.17Å; R282-E364 IonicContact NH1-OE1 3.07Å; R282-E364 PolarHBondContact NH1-OE1 3.36Å |
| 283 | W | 87.3 | Confident | 79.7 | Confident | 32 Ų | 32 | 84.7 Ų | 84.7 | 12% | 0.121 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -73.2 | -42.3 | -176.4 | -55 | 106.9 | 0 | 0 | 0 | 109.7 | S281 S286 F287 V342 P345 E346 I349 Y367 L368 | S281-W283 PolarHBondContact O-N 3.2Å; S281-W283 PolarHBondContact OG-N 3.36Å; W283-S286 PolarHBondContact O-N 3.38Å; W283-F287 VanDerWaalsContact O-CB 3.24Å; W283-F287 WeakPolarHBondContact O-CB 3.09Å; W283-F287 PolarHBondContact O-N 3.3Å; W283-V342 HydrophobicContact CB-CG1 4.32Å; W283-P345 HydrophobicContact CB-CG 4.3Å; W283-P345 HydrophobicContact CD2-CB 3.81Å; W283-P345 HydrophobicContact CD2-CG 3.87Å; W283-P345 HydrophobicContact CE3-CB 4.26Å; W283-P345 HydrophobicContact CE3-CG 4.19Å; W283-P345 HydrophobicContact CG-CB 4.12Å; W283-P345 HydrophobicContact CG-CG 3.89Å; W283-P345 HydrophobicContact CZ2-CB 4.12Å; W283-E346 VanDerWaalsContact CD1-OE2 3.27Å; W283-I349 HydrophobicContact CZ2-CD1 3.88Å; W283-Y367 HydrophobicContact CH2-CD1 4.16Å; W283-Y367 AromaticContact CH2-CE1 3.71Å; W283-Y367 HydrophobicContact CH2-CE1 3.71Å; W283-Y367 AromaticContact CZ2-CD1 3.88Å; W283-Y367 HydrophobicContact CZ2-CD1 3.88Å; W283-Y367 AromaticContact CZ2-CE1 3.72Å; W283-Y367 HydrophobicContact CZ2-CE1 3.72Å; W283-L368 HydrophobicContact CH2-CD2 3.96Å |
| 284 | L | 85.4 | Confident | 78.3 | Confident | 30 Ų | 30 | 93 Ų | 93 | 16% | 0.157 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 172 | -177.6 | 60.5 | 0 | 0 | 0 | 111.9 | V274 S281 S286 F287 L288 F338 V342 | V274-L284 HydrophobicContact CG1-CD2 4.25Å; S281-L284 PolarHBondContact O-N 3.47Å; S281-L284 PolarHBondContact OG-N 3.48Å; L284-S286 VanDerWaalsContact C-N 3.33Å; L284-S286 PolarHBondContact O-N 2.62Å; L284-F287 WeakPolarHBondContact O-CB 3.25Å; L284-F287 PolarHBondContact O-N 3.13Å; L284-L288 HydrophobicContact CD1-CD1 4.15Å; L284-L288 HydrophobicContact CD1-CG 4.33Å; L284-L288 HydrophobicContact CG-CD1 4.18Å; L284-L288 WeakPolarHBondContact O-CG 3.27Å; L284-L288 PolarHBondContact O-N 3.37Å; L284-F338 HydrophobicContact CD1-CE2 3.81Å; L284-F338 HydrophobicContact CD1-CZ 4.5Å; L284-V342 HydrophobicContact CB-CG1 3.95Å; L284-V342 HydrophobicContact CD1-CG1 4.4Å |
| 285 | R | 85.1 | Confident | 76.7 | Confident | 206 Ų | 206 | 97.7 Ų | 97.7 | 78% | 0.777 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.4 | -40.4 | 177.1 | -176 | 175.8 | 173.6 | 160.7 | -1.3 | 112.1 | S281 R282 S289 | S281-R285 PolarHBondContact O-N 3.1Å; R282-R285 PolarHBondContact O-N 3.1Å; R285-S289 PolarHBondContact O-N 2.89Å |
| 286 | S | 83.8 | Confident | 75.3 | Confident | 58 Ų | 58 | 102.8 Ų | 102.8 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 175.8 | -170.7 | 0 | 0 | 0 | 0 | 111.7 | R282 W283 L284 L288 S289 | R282-S286 VanDerWaalsContact O-CB 3.31Å; R282-S286 WeakPolarHBondContact O-CB 3.34Å; R282-S286 PolarHBondContact O-N 2.91Å; W283-S286 PolarHBondContact O-N 3.38Å; L284-S286 VanDerWaalsContact C-N 3.33Å; L284-S286 PolarHBondContact O-N 2.62Å; S286-L288 VanDerWaalsContact C-N 3.34Å; S286-L288 PolarHBondContact O-N 3.2Å; S286-S289 WeakPolarHBondContact O-CB 3.49Å; S286-S289 PolarHBondContact O-N 2.92Å; S286-S289 VanDerWaalsContact O-N 3.17Å; S286-S289 PolarHBondContact O-OG 3.46Å |
| 287 | F | 81.6 | Confident | 74.4 | Confident | 19 Ų | 19 | 100.4 Ų | 100.4 | 8% | 0.083 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 178.5 | -177.9 | -88.9 | 0 | 0 | 0 | 112.6 | W283 L284 S289 P337 F338 D341 V342 | W283-F287 VanDerWaalsContact O-CB 3.24Å; W283-F287 WeakPolarHBondContact O-CB 3.09Å; W283-F287 PolarHBondContact O-N 3.3Å; L284-F287 WeakPolarHBondContact O-CB 3.25Å; L284-F287 PolarHBondContact O-N 3.13Å; F287-S289 VanDerWaalsContact C-N 3.3Å; F287-P337 HydrophobicContact CE2-CB 4.06Å; F287-F338 HydrophobicContact CD1-CD2 4.4Å; F287-F338 HydrophobicContact CE1-CD2 4.01Å; F287-F338 HydrophobicContact CE2-CB 4.35Å; F287-F338 HydrophobicContact CZ-CB 4.06Å; F287-F338 HydrophobicContact CZ-CD2 4.07Å; F287-D341 HydrophobicContact CD2-CB 4.04Å; F287-D341 HydrophobicContact CE2-CB 4.46Å; F287-V342 HydrophobicContact CB-CG2 3.55Å; F287-V342 HydrophobicContact CD1-CG2 4.41Å; F287-V342 HydrophobicContact CD2-CG2 3.65Å; F287-V342 HydrophobicContact CE2-CG2 4.38Å; F287-V342 HydrophobicContact CG-CG2 3.64Å |
| 288 | L | 80.6 | Confident | 74.1 | Confident | 114 Ų | 114 | 104.3 Ų | 104.3 | 60% | 0.597 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -9.4 | 177.8 | -64.2 | 173.5 | 0 | 0 | 0 | 113.5 | L284 S286 | L284-L288 HydrophobicContact CD1-CD1 4.15Å; L284-L288 HydrophobicContact CD1-CG 4.33Å; L284-L288 HydrophobicContact CG-CD1 4.18Å; L284-L288 WeakPolarHBondContact O-CG 3.27Å; L284-L288 PolarHBondContact O-N 3.37Å; S286-L288 VanDerWaalsContact C-N 3.34Å; S286-L288 PolarHBondContact O-N 3.2Å |
| 289 | S | 79.9 | Confident | 74.3 | Confident | 49 Ų | 49 | 99 Ų | 99 | 34% | 0.343 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -77.8 | 142.9 | -178.8 | 79.7 | 0 | 0 | 0 | 0 | 112 | R285 S286 F287 K291 R292 | R285-S289 PolarHBondContact O-N 2.89Å; S286-S289 WeakPolarHBondContact O-CB 3.49Å; S286-S289 PolarHBondContact O-N 2.92Å; S286-S289 VanDerWaalsContact O-N 3.17Å; S286-S289 PolarHBondContact O-OG 3.46Å; F287-S289 VanDerWaalsContact C-N 3.3Å; S289-K291 PolarHBondContact O-N 2.93Å; S289-R292 PolarHBondContact O-N 2.96Å |
| 290 | A | 65.8 | Low | 74.5 | Confident | 112 Ų | 112 | 95.4 Ų | 95.4 | 93% | 0.926 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -62.6 | -15.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | R292 | A290-R292 PolarHBondContact O-N 2.74Š|
| 291 | K | 65.1 | Low | 74.7 | Confident | 180 Ų | 180 | 90.3 Ų | 90.3 | 78% | 0.783 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -99.1 | 53.2 | 177.6 | -64.4 | -176.8 | -178.4 | 179.2 | 0 | 111.1 | S289 R293 | S289-K291 PolarHBondContact O-N 2.93Å; K291-R293 PolarHBondContact O-N 3.05Å |
| 292 | R | 65.3 | Low | 74.8 | Confident | 90 Ų | 90 | 92.2 Ų | 92.2 | 34% | 0.34 | 44% | 0.444 | S | S | . | . | trans | -61.7 | 94.5 | -179.4 | -163.8 | -171.7 | -145.5 | -168.9 | 9.1 | 110.6 | S289 A290 E334 | S289-R292 PolarHBondContact O-N 2.96Å; A290-R292 PolarHBondContact O-N 2.74Å; R292-E334 IonicContact NH1-OE2 3.02Å | ||
| 293 | R | 60.4 | Low | 74.9 | Confident | 209 Ų | 209 | 92 Ų | 92 | 79% | 0.789 | 45% | 0.453 | S | S | * | . | trans | -87.3 | 112.9 | 162.1 | -77.2 | -168.2 | -113.2 | -139.3 | 0.9 | 107.5 | K291 V295 | K291-R293 PolarHBondContact O-N 3.05Å; R293-V295 HydrophobicContact CB-CG2 4.45Å; R293-V295 PolarHBondContact O-N 3.38Å | ||
| 294 | R | 59.5 | Low | 75.1 | Confident | 193 Ų | 193 | 96.5 Ų | 96.5 | 73% | 0.728 | 48% | 0.475 | S | S | * | . | trans | -66.5 | 104.1 | 167.8 | -79.7 | -168.8 | -73.8 | -160.7 | -2.7 | 107.7 | ||||
| 295 | V | 54 | Low | 75.4 | Confident | 98 Ų | 98 | 95.4 Ų | 95.4 | 59% | 0.594 | 47% | 0.469 | S | S | * | . | trans | -101.6 | 91.2 | 169.5 | -177.5 | 0 | 0 | 0 | 0 | 105.7 | R293 N297 | R293-V295 HydrophobicContact CB-CG2 4.45Å; R293-V295 PolarHBondContact O-N 3.38Å; V295-N297 VanDerWaalsContact C-N 3.29Å; V295-N297 PolarHBondContact O-N 2.61Å | ||
| 296 | V | 54.9 | Low | 75.7 | Confident | 109 Ų | 109 | 87.8 Ų | 87.8 | 66% | 0.661 | 44% | 0.444 | S | S | * | . | trans | -75.5 | 91.8 | 170.1 | -176.1 | 0 | 0 | 0 | 0 | 106.3 | I298 | V296-I298 HydrophobicContact CG1-CG1 3.93Å; V296-I298 PolarHBondContact O-N 3.46Å | ||
| 297 | N | 63.3 | Low | 76 | Confident | 42 Ų | 42 | 89 Ų | 89 | 23% | 0.225 | 45% | 0.446 | C | S | . | . | trans | -83.6 | 101.9 | 172 | -170 | 3.4 | 0 | 0 | 0 | 107.9 | V295 Y299 Y367 | V295-N297 VanDerWaalsContact C-N 3.29Å; V295-N297 PolarHBondContact O-N 2.61Å; N297-Y299 PolarHBondContact O-N 2.83Å; N297-Y367 HydrophobicContact CB-CE1 4.17Å; N297-Y367 WeakPolarHBondContact ND2-CE1 3.14Å; N297-Y367 PolarHBondContact ND2-O 3.35Å | ||
| 298 | I | 70.8 | Confident | 76.5 | Confident | 113 Ų | 113 | 93.8 Ų | 93.8 | 58% | 0.579 | 46% | 0.463 | S | S | * | . | trans | -77.3 | 76 | -178.7 | -50.8 | 172.1 | 0 | 0 | 0 | 108.2 | V296 E301 | V296-I298 HydrophobicContact CG1-CG1 3.93Å; V296-I298 PolarHBondContact O-N 3.46Å; I298-E301 HydrophobicContact CG2-CG 4.43Å | ||
| 299 | Y | 83.9 | Confident | 77.1 | Confident | 29 Ų | 29 | 88.4 Ų | 88.4 | 11% | 0.114 | 44% | 0.435 | C | S | . | . | trans | -78.7 | -34.7 | 177.7 | -169.7 | -82.1 | 0 | 0 | 0 | 111.9 | N254 L257 N297 I348 I352 Y367 | N254-Y299 PolarHBondContact ND2-O 3.47Å; L257-Y299 HydrophobicContact CD1-CE1 3.78Å; N297-Y299 PolarHBondContact O-N 2.83Å; Y299-I348 HydrophobicContact CD1-CD1 4.49Å; Y299-I348 HydrophobicContact CD1-CG2 3.65Å; Y299-I348 HydrophobicContact CE1-CG2 3.88Å; Y299-I348 HydrophobicContact CG-CG2 4.07Å; Y299-I352 HydrophobicContact CE1-CD1 4.23Å; Y299-I352 HydrophobicContact CE2-CD1 4.07Å; Y299-I352 WeakPolarHBondContact OH-CD1 3.27Å; Y299-Y367 AromaticContact CD2-CD2 3.57Å; Y299-Y367 HydrophobicContact CD2-CD2 3.57Å; Y299-Y367 HydrophobicContact CD2-CE2 4.09Å; Y299-Y367 HydrophobicContact CD2-CG 4.39Å; Y299-Y367 HydrophobicContact CE2-CD2 4.24Å; Y299-Y367 AromaticContact CG-CD2 3.81Å; Y299-Y367 HydrophobicContact CG-CD2 3.81Å; Y299-Y367 AromaticContact CG-CE2 3.95Å; Y299-Y367 HydrophobicContact CG-CE2 3.95Å | ||
| 300 | L | 86.7 | Confident | 77.7 | Confident | 8 Ų | 8 | 88.1 Ų | 88.1 | 4% | 0.042 | 43% | 0.427 | C | S | . | . | trans | -97.5 | 102.6 | 171.9 | -62.9 | 177 | 0 | 0 | 0 | 108.1 | N254 L306 V309 I348 | N254-L300 HydrophobicContact CB-CD2 3.87Å; L300-L306 HydrophobicContact CB-CB 4.31Å; L300-L306 HydrophobicContact CB-CD1 4.44Å; L300-L306 HydrophobicContact CD1-CD1 4.3Å; L300-V309 HydrophobicContact CD1-CB 4.47Å; L300-V309 HydrophobicContact CD1-CG2 4.15Å; L300-I348 HydrophobicContact CD1-CD1 4.21Å; L300-I348 HydrophobicContact CG-CD1 4.17Å | ||
| 301 | E | 83.5 | Confident | 78.9 | Confident | 70 Ų | 70 | 90.3 Ų | 90.3 | 33% | 0.327 | 41% | 0.411 | S | S | . | . | trans | -80 | -19.4 | 178.7 | -67.3 | 173.2 | -171.8 | 0 | 0 | 112.5 | H247 I298 R371 | H247-E301 IonicContact CD2-OE2 3.44Å; H247-E301 PolarHBondContact CD2-OE2 2.64Å; H247-E301 VanDerWaalsContact CD2-OE2 3.24Å; H247-E301 IonicContact NE2-OE2 3.09Å; H247-E301 PolarHBondContact NE2-OE2 2.81Å; I298-E301 HydrophobicContact CG2-CG 4.43Å; E301-R371 IonicContact OE2-NH1 2.91Å; E301-R371 PolarHBondContact OE2-NH1 2.88Å | ||
| 302 | D | 88.4 | Confident | 80.3 | Confident | 50 Ų | 50 | 82.2 Ų | 82.2 | 27% | 0.267 | 38% | 0.376 | S | S | . | . | trans | -88.5 | 120.4 | 177.5 | -175.9 | -86.1 | 0 | 0 | 0 | 111.4 | Q304 Q305 L306 | D302-Q304 VanDerWaalsContact C-N 3.31Å; D302-Q304 PolarHBondContact O-N 2.8Å; D302-Q304 WeakPolarHBondContact OD1-CA 3.48Å; D302-Q304 WeakPolarHBondContact OD1-CB 3.33Å; D302-Q304 PolarHBondContact OD1-N 2.67Å; D302-Q305 HydrophobicContact CB-CB 4.09Å; D302-Q305 HydrophobicContact CB-CG 4Å; D302-Q305 WeakPolarHBondContact O-CB 3.41Å; D302-Q305 PolarHBondContact O-N 3.37Å; D302-Q305 WeakPolarHBondContact OD1-CG 3.46Å; D302-Q305 PolarHBondContact OD1-N 2.82Å; D302-L306 PolarHBondContact O-N 3.43Å | ||
| 303 | D | 88.4 | Confident | 81.5 | Confident | 122 Ų | 122 | 78 Ų | 78 | 65% | 0.652 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.2 | -37.7 | -177 | -67.8 | -25.2 | 0 | 0 | 0 | 112.4 | Q305 L306 D307 | D303-Q305 PolarHBondContact O-N 2.74Å; D303-L306 PolarHBondContact O-N 3.04Å; D303-D307 VanDerWaalsContact O-CB 3.31Å; D303-D307 WeakPolarHBondContact O-CB 3.28Å; D303-D307 VanDerWaalsContact O-CG 3.24Å; D303-D307 PolarHBondContact O-N 2.92Å |
| 304 | Q | 90.8 | Very high | 82.9 | Confident | 125 Ų | 125 | 68.6 Ų | 68.6 | 58% | 0.584 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -68.4 | -38.8 | -179.9 | -58.3 | -175.2 | 3.7 | 0 | 0 | 111.5 | D302 R308 | D302-Q304 VanDerWaalsContact C-N 3.31Å; D302-Q304 PolarHBondContact O-N 2.8Å; D302-Q304 WeakPolarHBondContact OD1-CA 3.48Å; D302-Q304 WeakPolarHBondContact OD1-CB 3.33Å; D302-Q304 PolarHBondContact OD1-N 2.67Å; Q304-R308 VanDerWaalsContact O-CG 3.23Å; Q304-R308 WeakPolarHBondContact O-CG 3.45Å; Q304-R308 PolarHBondContact O-N 3.18Å; Q304-R308 VanDerWaalsContact O-N 3.14Å |
| 305 | Q | 91.3 | Very high | 84.4 | Confident | 7 Ų | 7 | 63.8 Ų | 63.8 | 3% | 0.033 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 174.1 | -71.4 | -176.4 | -18.5 | 0 | 0 | 111.3 | N251 N254 E255 V258 D302 D303 R308 V309 | N251-Q305 PolarHBondContact O-NE2 2.93Å; N254-Q305 VanDerWaalsContact CB-OE1 3.27Å; E255-Q305 WeakPolarHBondContact OE2-CG 3.49Å; E255-Q305 PolarHBondContact OE2-NE2 2.87Å; V258-Q305 HydrophobicContact CG2-CB 3.91Å; V258-Q305 HydrophobicContact CG2-CG 4.16Å; D302-Q305 HydrophobicContact CB-CB 4.09Å; D302-Q305 HydrophobicContact CB-CG 4Å; D302-Q305 WeakPolarHBondContact O-CB 3.41Å; D302-Q305 PolarHBondContact O-N 3.37Å; D302-Q305 WeakPolarHBondContact OD1-CG 3.46Å; D302-Q305 PolarHBondContact OD1-N 2.82Å; D303-Q305 PolarHBondContact O-N 2.74Å; Q305-R308 PolarHBondContact O-N 3.49Å; Q305-V309 WeakPolarHBondContact O-CG2 3.45Å; Q305-V309 PolarHBondContact O-N 3.07Å |
| 306 | L | 91.4 | Very high | 86 | Confident | 47 Ų | 47 | 59.2 Ų | 59.2 | 25% | 0.246 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.9 | -47 | 178.5 | -178.9 | 59.9 | 0 | 0 | 0 | 111.3 | L300 D302 D303 R308 V309 Y310 L344 | L300-L306 HydrophobicContact CB-CB 4.31Å; L300-L306 HydrophobicContact CB-CD1 4.44Å; L300-L306 HydrophobicContact CD1-CD1 4.3Å; D302-L306 PolarHBondContact O-N 3.43Å; D303-L306 PolarHBondContact O-N 3.04Å; L306-R308 PolarHBondContact O-N 3.23Å; L306-V309 PolarHBondContact O-N 2.92Å; L306-Y310 WeakPolarHBondContact O-CB 3.4Å; L306-Y310 PolarHBondContact O-N 3.21Å; L306-L344 HydrophobicContact CD1-CD1 4.19Å; L306-L344 HydrophobicContact CD1-CD2 3.76Å |
| 307 | D | 90.7 | Very high | 87.5 | Confident | 84 Ų | 84 | 55.7 Ų | 55.7 | 45% | 0.449 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58 | -48.1 | 179 | -79.8 | -19.4 | 0 | 0 | 0 | 111.4 | D303 V309 Y310 W311 | D303-D307 VanDerWaalsContact O-CB 3.31Å; D303-D307 WeakPolarHBondContact O-CB 3.28Å; D303-D307 VanDerWaalsContact O-CG 3.24Å; D303-D307 PolarHBondContact O-N 2.92Å; D307-V309 VanDerWaalsContact C-N 3.32Å; D307-V309 PolarHBondContact O-N 3.38Å; D307-Y310 PolarHBondContact O-N 3.34Å; D307-W311 PolarHBondContact O-N 3.44Å |
| 308 | R | 92.3 | Very high | 88.5 | Confident | 119 Ų | 119 | 56 Ų | 56 | 45% | 0.449 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58 | -44.8 | 178.9 | -72.8 | 170.2 | -171.6 | 179 | 7.7 | 112.1 | E255 V258 Q304 Q305 L306 Y312 | E255-R308 IonicContact OE1-NH1 2.63Å; E255-R308 PolarHBondContact OE1-NH1 2.84Å; E255-R308 VanDerWaalsContact OE1-NH1 3.09Å; V258-R308 HydrophobicContact CG1-CB 4.38Å; Q304-R308 VanDerWaalsContact O-CG 3.23Å; Q304-R308 WeakPolarHBondContact O-CG 3.45Å; Q304-R308 PolarHBondContact O-N 3.18Å; Q304-R308 VanDerWaalsContact O-N 3.14Å; Q305-R308 PolarHBondContact O-N 3.49Å; L306-R308 PolarHBondContact O-N 3.23Å; R308-Y312 PolarHBondContact O-N 2.73Å |
| 309 | V | 92.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.2 | -44.5 | 178.1 | 175.5 | 0 | 0 | 0 | 0 | 110 | V258 I261 V262 L300 Q305 L306 D307 W311 Y312 L313 L344 | V258-V309 HydrophobicContact CB-CG2 4.31Å; V258-V309 HydrophobicContact CG1-CG2 4.04Å; V258-V309 HydrophobicContact CG2-CG2 3.89Å; I261-V309 HydrophobicContact CG2-CG1 4.28Å; V262-V309 HydrophobicContact CG2-CG2 4.21Å; L300-V309 HydrophobicContact CD1-CB 4.47Å; L300-V309 HydrophobicContact CD1-CG2 4.15Å; Q305-V309 WeakPolarHBondContact O-CG2 3.45Å; Q305-V309 PolarHBondContact O-N 3.07Å; L306-V309 PolarHBondContact O-N 2.92Å; D307-V309 VanDerWaalsContact C-N 3.32Å; D307-V309 PolarHBondContact O-N 3.38Å; V309-W311 PolarHBondContact O-N 3.02Å; V309-Y312 PolarHBondContact O-N 3.33Å; V309-L313 HydrophobicContact CG1-CD1 3.73Å; V309-L313 HydrophobicContact CG1-CG 4.09Å; V309-L313 VanDerWaalsContact O-CG 3.24Å; V309-L313 WeakPolarHBondContact O-CG 3.36Å; V309-L313 PolarHBondContact O-N 3.31Å; V309-L344 HydrophobicContact CB-CD1 4.42Å; V309-L344 HydrophobicContact CG1-CD1 3.58Å |
| 310 | Y | 91.8 | Very high | 88.9 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 17% | 0.173 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.4 | -51.1 | 177.7 | 174 | -98 | 0 | 0 | 0 | 111.6 | L306 D307 Y312 L313 N314 V339 L340 | L306-Y310 WeakPolarHBondContact O-CB 3.4Å; L306-Y310 PolarHBondContact O-N 3.21Å; D307-Y310 PolarHBondContact O-N 3.34Å; Y310-Y312 VanDerWaalsContact C-N 3.32Å; Y310-Y312 PolarHBondContact O-N 2.99Å; Y310-L313 PolarHBondContact O-N 2.89Å; Y310-N314 HydrophobicContact CE1-CB 4.48Å; Y310-N314 WeakPolarHBondContact O-CB 3.2Å; Y310-N314 PolarHBondContact O-N 2.83Å; Y310-V339 HydrophobicContact CD2-CB 4.4Å; Y310-V339 HydrophobicContact CD2-CG1 3.56Å; Y310-V339 HydrophobicContact CE2-CB 4.1Å; Y310-V339 HydrophobicContact CE2-CG1 3.74Å; Y310-L340 HydrophobicContact CD2-CD2 3.81Å; Y310-L340 HydrophobicContact CD2-CG 4.42Å; Y310-L340 HydrophobicContact CE2-CD2 4.28Å; Y310-L340 HydrophobicContact CE2-CG 4.41Å |
| 311 | W | 92.1 | Very high | 88.1 | Confident | 158 Ų | 158 | 57 Ų | 57 | 60% | 0.598 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -56.7 | -45.5 | 177.9 | -77.3 | 111.6 | 0 | 0 | 0 | 111.9 | D307 V309 N314 E315 | D307-W311 PolarHBondContact O-N 3.44Å; V309-W311 PolarHBondContact O-N 3.02Å; W311-N314 PolarHBondContact O-N 3.02Å; W311-E315 WeakPolarHBondContact O-CG 3.41Å; W311-E315 PolarHBondContact O-N 3.17Å |
| 312 | Y | 93.4 | Very high | 87.3 | Confident | 10 Ų | 10 | 58.7 Ų | 58.7 | 4% | 0.039 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.9 | -49.2 | 176.5 | 170.5 | -108.2 | 0 | 0 | 0 | 112.8 | I261 V262 R265 E268 R308 V309 Y310 N314 E315 L316 | I261-Y312 HydrophobicContact CG2-CD1 3.72Å; I261-Y312 HydrophobicContact CG2-CE1 3.78Å; I261-Y312 WeakPolarHBondContact O-CE1 3.34Å; V262-Y312 HydrophobicContact CG1-CG 4.41Å; V262-Y312 HydrophobicContact CG2-CD1 4.32Å; V262-Y312 HydrophobicContact CG2-CG 4.19Å; R265-Y312 HydrophobicContact CG-CE2 3.96Å; E268-Y312 WeakPolarHBondContact CB-OH 3.49Å; E268-Y312 PolarHBondContact OE2-OH 3.22Å; E268-Y312 VanDerWaalsContact OE2-OH 3.05Å; R308-Y312 PolarHBondContact O-N 2.73Å; V309-Y312 PolarHBondContact O-N 3.33Å; Y310-Y312 VanDerWaalsContact C-N 3.32Å; Y310-Y312 PolarHBondContact O-N 2.99Å; Y312-N314 VanDerWaalsContact C-N 3.26Å; Y312-N314 PolarHBondContact O-N 3.29Å; Y312-E315 PolarHBondContact O-N 3.46Å; Y312-L316 HydrophobicContact CD1-CD1 4.18Å; Y312-L316 HydrophobicContact CD2-CG 4.48Å; Y312-L316 HydrophobicContact CE1-CD1 3.47Å; Y312-L316 VanDerWaalsContact CE1-CD1 3.47Å; Y312-L316 HydrophobicContact CE1-CG 4.21Å; Y312-L316 HydrophobicContact CE2-CD1 4.07Å; Y312-L316 HydrophobicContact CE2-CD2 4.27Å; Y312-L316 HydrophobicContact CE2-CG 4Å; Y312-L316 VanDerWaalsContact CZ-CD1 3.42Å; Y312-L316 PolarHBondContact O-N 3.05Å; Y312-L316 WeakPolarHBondContact OH-CD1 3.31Å |
| 313 | L | 92.1 | Very high | 86 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.8 | -36.3 | 178.8 | -65.6 | 177.3 | 0 | 0 | 0 | 111.6 | L271 V309 Y310 L316 Y317 V339 L343 L344 A347 | L271-L313 HydrophobicContact CD1-CD2 3.46Å; L271-L313 VanDerWaalsContact CD1-CD2 3.46Å; V309-L313 HydrophobicContact CG1-CD1 3.73Å; V309-L313 HydrophobicContact CG1-CG 4.09Å; V309-L313 VanDerWaalsContact O-CG 3.24Å; V309-L313 WeakPolarHBondContact O-CG 3.36Å; V309-L313 PolarHBondContact O-N 3.31Å; Y310-L313 PolarHBondContact O-N 2.89Å; L313-L316 PolarHBondContact O-N 3.47Å; L313-Y317 WeakPolarHBondContact O-CB 3.43Å; L313-Y317 PolarHBondContact O-N 3.44Å; L313-V339 HydrophobicContact CB-CG1 3.76Å; L313-V339 HydrophobicContact CD1-CG1 4.31Å; L313-L343 HydrophobicContact CD1-CB 4.18Å; L313-L343 HydrophobicContact CD2-CB 4.35Å; L313-L344 HydrophobicContact CD1-CB 4.03Å; L313-L344 HydrophobicContact CD1-CD1 4.04Å; L313-A347 HydrophobicContact CD1-CB 4.33Å; L313-A347 HydrophobicContact CD2-CB 3.96Å |
| 314 | N | 89.8 | Confident | 84.7 | Confident | 13 Ų | 13 | 58.3 Ų | 58.3 | 7% | 0.07 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.8 | -36.4 | 179.2 | -165.5 | 40.1 | 0 | 0 | 0 | 112.3 | Y310 W311 Y312 A318 R335 | Y310-N314 HydrophobicContact CE1-CB 4.48Å; Y310-N314 WeakPolarHBondContact O-CB 3.2Å; Y310-N314 PolarHBondContact O-N 2.83Å; W311-N314 PolarHBondContact O-N 3.02Å; Y312-N314 VanDerWaalsContact C-N 3.26Å; Y312-N314 PolarHBondContact O-N 3.29Å; N314-A318 WeakPolarHBondContact O-CB 3.24Å; N314-A318 PolarHBondContact O-N 3.46Å; N314-A318 VanDerWaalsContact O-N 3.13Å; N314-R335 PolarHBondContact ND2-NH2 3.35Å; N314-R335 VanDerWaalsContact ND2-NH2 3.11Å; N314-R335 PolarHBondContact O-NH2 3.21Å; N314-R335 PolarHBondContact OD1-NE 3.34Å; N314-R335 PolarHBondContact OD1-NH2 3.31Å |
| 315 | E | 89.8 | Confident | 83 | Confident | 91 Ų | 91 | 57.7 Ų | 57.7 | 43% | 0.425 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.4 | -43.9 | 169.7 | -77.3 | -172 | -167.4 | 0 | 0 | 112.2 | W311 Y312 Y317 A318 K319 | W311-E315 WeakPolarHBondContact O-CG 3.41Å; W311-E315 PolarHBondContact O-N 3.17Å; Y312-E315 PolarHBondContact O-N 3.46Å; E315-Y317 VanDerWaalsContact C-N 3.32Å; E315-Y317 PolarHBondContact O-N 3.17Å; E315-A318 PolarHBondContact O-N 2.75Å; E315-K319 WeakPolarHBondContact O-CG 3.45Å; E315-K319 PolarHBondContact O-N 3.49Å; E315-K319 IonicContact OE2-NZ 3.42Å; E315-K319 PolarHBondContact OE2-NZ 3.3Å |
| 316 | L | 88.3 | Confident | 81.3 | Confident | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 177 | -78.7 | -175.4 | 0 | 0 | 0 | 111.5 | E268 L271 Y312 L313 K319 A320 | E268-L316 HydrophobicContact CG-CD1 4.23Å; E268-L316 HydrophobicContact CG-CD2 3.68Å; L271-L316 HydrophobicContact CD1-CD1 3.98Å; Y312-L316 HydrophobicContact CD1-CD1 4.18Å; Y312-L316 HydrophobicContact CD2-CG 4.48Å; Y312-L316 HydrophobicContact CE1-CD1 3.47Å; Y312-L316 VanDerWaalsContact CE1-CD1 3.47Å; Y312-L316 HydrophobicContact CE1-CG 4.21Å; Y312-L316 HydrophobicContact CE2-CD1 4.07Å; Y312-L316 HydrophobicContact CE2-CD2 4.27Å; Y312-L316 HydrophobicContact CE2-CG 4Å; Y312-L316 VanDerWaalsContact CZ-CD1 3.42Å; Y312-L316 PolarHBondContact O-N 3.05Å; Y312-L316 WeakPolarHBondContact OH-CD1 3.31Å; L313-L316 PolarHBondContact O-N 3.47Å; L316-K319 PolarHBondContact O-N 3.36Å; L316-A320 VanDerWaalsContact O-CB 3.3Å; L316-A320 WeakPolarHBondContact O-CB 3.47Å; L316-A320 PolarHBondContact O-N 2.81Å |
| 317 | Y | 85.6 | Confident | 79.5 | Confident | 34 Ų | 34 | 65.5 Ų | 65.5 | 13% | 0.133 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.1 | -50.3 | 175.3 | -178.1 | -100 | 0 | 0 | 0 | 111 | L313 E315 K319 A320 V321 L327 R335 F338 L343 | L313-Y317 WeakPolarHBondContact O-CB 3.43Å; L313-Y317 PolarHBondContact O-N 3.44Å; E315-Y317 VanDerWaalsContact C-N 3.32Å; E315-Y317 PolarHBondContact O-N 3.17Å; Y317-K319 VanDerWaalsContact C-N 3.27Å; Y317-K319 PolarHBondContact O-N 2.97Å; Y317-A320 PolarHBondContact O-N 3.5Å; Y317-A320 VanDerWaalsContact O-N 3.07Å; Y317-V321 HydrophobicContact CD1-CG2 3.86Å; Y317-V321 HydrophobicContact CD2-CG2 4.01Å; Y317-V321 HydrophobicContact CE1-CG2 3.49Å; Y317-V321 VanDerWaalsContact CE1-CG2 3.49Å; Y317-V321 HydrophobicContact CE2-CG2 3.65Å; Y317-V321 HydrophobicContact CG-CG2 4.11Å; Y317-V321 VanDerWaalsContact O-CG2 3.26Å; Y317-V321 WeakPolarHBondContact O-CG2 3.31Å; Y317-V321 PolarHBondContact O-N 3.33Å; Y317-L327 HydrophobicContact CE2-CD2 3.94Å; Y317-R335 HydrophobicContact CD1-CG 3.95Å; Y317-R335 HydrophobicContact CE1-CB 4.45Å; Y317-R335 HydrophobicContact CE1-CG 3.93Å; Y317-F338 AromaticContact CD2-CD1 3.55Å; Y317-F338 HydrophobicContact CD2-CD1 3.55Å; Y317-F338 AromaticContact CD2-CE1 3.61Å; Y317-F338 HydrophobicContact CD2-CE1 3.61Å; Y317-F338 AromaticContact CE2-CD1 3.39Å; Y317-F338 HydrophobicContact CE2-CD1 3.39Å; Y317-F338 AromaticContact CE2-CE1 3.57Å; Y317-F338 HydrophobicContact CE2-CE1 3.57Å; Y317-F338 HydrophobicContact CE2-CG 4.17Å; Y317-F338 HydrophobicContact CE2-CZ 4.46Å; Y317-L343 HydrophobicContact CD2-CD1 4.29Å |
| 318 | A | 84.8 | Confident | 77.6 | Confident | 48 Ų | 48 | 65.4 Ų | 65.4 | 40% | 0.397 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.6 | -36.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N314 E315 P322 | N314-A318 WeakPolarHBondContact O-CB 3.24Å; N314-A318 PolarHBondContact O-N 3.46Å; N314-A318 VanDerWaalsContact O-N 3.13Å; E315-A318 PolarHBondContact O-N 2.75Å; A318-P322 VanDerWaalsContact O-CD 3.26Å; A318-P322 WeakPolarHBondContact O-CD 3.32Å |
| 319 | K | 84 | Confident | 75.6 | Confident | 114 Ų | 114 | 67 Ų | 67 | 50% | 0.496 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -74.3 | -27.9 | 177.3 | -71.2 | 169 | -174.8 | 163.1 | 0 | 113.4 | E315 L316 Y317 | E315-K319 WeakPolarHBondContact O-CG 3.45Å; E315-K319 PolarHBondContact O-N 3.49Å; E315-K319 IonicContact OE2-NZ 3.42Å; E315-K319 PolarHBondContact OE2-NZ 3.3Å; L316-K319 PolarHBondContact O-N 3.36Å; Y317-K319 VanDerWaalsContact C-N 3.27Å; Y317-K319 PolarHBondContact O-N 2.97Å |
| 320 | A | 78.6 | Confident | 73.6 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 2% | 0.017 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -91.2 | -34.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L272 I275 L316 Y317 P322 K323 S324 | L272-A320 HydrophobicContact CD2-CB 3.65Å; I275-A320 HydrophobicContact CB-CB 4.33Å; I275-A320 HydrophobicContact CD1-CB 4.01Å; I275-A320 HydrophobicContact CG2-CB 3.72Å; L316-A320 VanDerWaalsContact O-CB 3.3Å; L316-A320 WeakPolarHBondContact O-CB 3.47Å; L316-A320 PolarHBondContact O-N 2.81Å; Y317-A320 PolarHBondContact O-N 3.5Å; Y317-A320 VanDerWaalsContact O-N 3.07Å; A320-P322 VanDerWaalsContact C-CD 3.48Å; A320-K323 PolarHBondContact O-N 3.04Å; A320-S324 PolarHBondContact O-OG 3.01Å |
| 321 | V | 71 | Confident | 71.5 | Confident | 55 Ų | 55 | 75.6 Ų | 75.6 | 33% | 0.333 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -53.1 | -44.1 | -178.5 | 167.4 | 0 | 0 | 0 | 0 | 113.8 | Y317 K323 S324 | Y317-V321 HydrophobicContact CD1-CG2 3.86Å; Y317-V321 HydrophobicContact CD2-CG2 4.01Å; Y317-V321 HydrophobicContact CE1-CG2 3.49Å; Y317-V321 VanDerWaalsContact CE1-CG2 3.49Å; Y317-V321 HydrophobicContact CE2-CG2 3.65Å; Y317-V321 HydrophobicContact CG-CG2 4.11Å; Y317-V321 VanDerWaalsContact O-CG2 3.26Å; Y317-V321 WeakPolarHBondContact O-CG2 3.31Å; Y317-V321 PolarHBondContact O-N 3.33Å; V321-K323 PolarHBondContact O-N 3.44Å; V321-S324 PolarHBondContact O-N 2.98Å; V321-S324 PolarHBondContact O-OG 3.37Å |
| 322 | P | 65.1 | Low | 69.4 | Low | 106 Ų | 106 | 74 Ų | 74 | 69% | 0.688 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -63.3 | -13.3 | 179.2 | -21.8 | 33 | 0 | 0 | 0 | 114.4 | A318 A320 | A318-P322 VanDerWaalsContact O-CD 3.26Å; A318-P322 WeakPolarHBondContact O-CD 3.32Å; A320-P322 VanDerWaalsContact C-CD 3.48Å |
| 323 | K | 62.8 | Low | 67.4 | Low | 154 Ų | 154 | 78.7 Ų | 78.7 | 67% | 0.67 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -110.7 | 3.8 | -172.3 | -59.1 | -178.5 | -179.2 | 179.3 | 0 | 113.3 | A320 V321 | A320-K323 PolarHBondContact O-N 3.04Å; V321-K323 PolarHBondContact O-N 3.44Å |
| 324 | S | 59.9 | Low | 66.3 | Low | 10 Ų | 10 | 84 Ų | 84 | 7% | 0.07 | 45% | 0.447 | C | S | . | . | trans | -126.1 | 104.2 | -173.9 | 55.5 | 0 | 0 | 0 | 0 | 112.3 | A320 V321 R326 | A320-S324 PolarHBondContact O-OG 3.01Å; V321-S324 PolarHBondContact O-N 2.98Å; V321-S324 PolarHBondContact O-OG 3.37Å; S324-R326 VanDerWaalsContact C-N 3.32Å; S324-R326 PolarHBondContact O-N 3.38Å | ||
| 325 | P | 56 | Low | 65.7 | Low | 113 Ų | 113 | 88.7 Ų | 88.7 | 73% | 0.734 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -67.7 | -25.4 | -179.6 | 2.1 | 0.4 | 0 | 0 | 0 | 114.3 | L327 A328 | P325-L327 VanDerWaalsContact C-N 3.32Å; P325-L327 PolarHBondContact O-N 2.9Å; P325-A328 WeakPolarHBondContact O-CB 3.29Å; P325-A328 PolarHBondContact O-N 3.36Å |
| 326 | R | 54.4 | Low | 65.4 | Low | 185 Ų | 185 | 87.6 Ų | 87.6 | 70% | 0.698 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -72 | -18.1 | -177.5 | -73 | -171.5 | 174.3 | 162.6 | -1.5 | 115.2 | G277 S324 | G277-R326 PolarHBondContact O-NH1 3.48Å; S324-R326 VanDerWaalsContact C-N 3.32Å; S324-R326 PolarHBondContact O-N 3.38Å |
| 327 | L | 53.4 | Low | 65.3 | Low | 33 Ų | 33 | 88.6 Ų | 88.6 | 17% | 0.173 | 47% | 0.47 | C | S | . | . | G | 310 helix | trans | -90.1 | -8.8 | 174.4 | -104.3 | 107.2 | 0 | 0 | 0 | 113.2 | I275 Y317 P325 D329 V330 | I275-L327 HydrophobicContact CG2-CD1 4.28Å; I275-L327 WeakPolarHBondContact O-CD1 3.4Å; Y317-L327 HydrophobicContact CE2-CD2 3.94Å; P325-L327 VanDerWaalsContact C-N 3.32Å; P325-L327 PolarHBondContact O-N 2.9Å; L327-D329 VanDerWaalsContact C-N 3.29Å; L327-D329 PolarHBondContact O-N 3.09Å; L327-V330 PolarHBondContact O-N 3.44Å |
| 328 | A | 51 | Low | 65.3 | Low | 82 Ų | 82 | 87.4 Ų | 87.4 | 68% | 0.678 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -27.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P325 V330 | P325-A328 WeakPolarHBondContact O-CB 3.29Å; P325-A328 PolarHBondContact O-N 3.36Å; A328-V330 VanDerWaalsContact C-N 3.33Å |
| 329 | D | 50.6 | Low | 65.5 | Low | 152 Ų | 152 | 85.1 Ų | 85.1 | 81% | 0.813 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -15.9 | 175.2 | -88.4 | -24.4 | 0 | 0 | 0 | 113.6 | L327 K331 | L327-D329 VanDerWaalsContact C-N 3.29Å; L327-D329 PolarHBondContact O-N 3.09Å; D329-K331 PolarHBondContact O-N 3.34Å |
| 330 | V | 51.1 | Low | 65.6 | Low | 47 Ų | 47 | 82.8 Ų | 82.8 | 29% | 0.285 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -82.7 | 72.7 | 173.1 | -177.7 | 0 | 0 | 0 | 0 | 107.5 | L327 A328 S332 M333 | L327-V330 PolarHBondContact O-N 3.44Å; A328-V330 VanDerWaalsContact C-N 3.33Å; V330-S332 PolarHBondContact O-N 3.5Å; V330-M333 HydrophobicContact CG1-CB 3.62Å; V330-M333 HydrophobicContact CG1-CG 4.43Å; V330-M333 HydrophobicContact CG1-SD 4.05Å |
| 331 | K | 47.8 | Very low | 66 | Low | 178 Ų | 178 | 84.2 Ų | 84.2 | 77% | 0.774 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -28.9 | 104.4 | 171.8 | -78 | 176.8 | 175.1 | 176.5 | 0 | 111.1 | D329 M333 | D329-K331 PolarHBondContact O-N 3.34Å; K331-M333 WeakPolarHBondContact O-CA 3.46Å; K331-M333 WeakPolarHBondContact O-CB 3.2Å; K331-M333 PolarHBondContact O-N 2.84Å |
| 332 | S | 47.9 | Very low | 66.7 | Low | 125 Ų | 125 | 81.6 Ų | 81.6 | 87% | 0.874 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 36.8 | 41.4 | 160.8 | 60.3 | 0 | 0 | 0 | 0 | 114.9 | V330 E334 | V330-S332 PolarHBondContact O-N 3.5Å; S332-E334 PolarHBondContact O-N 2.92Å; S332-E334 VanDerWaalsContact O-N 3.15Å |
| 333 | M | 51.7 | Low | 67.9 | Low | 107 Ų | 107 | 76.6 Ų | 76.6 | 53% | 0.527 | 40% | 0.398 | S | S | . | . | trans | -92.1 | 93.1 | -169.4 | -123.9 | 178.7 | 172.4 | 0 | 0 | 107.1 | V330 K331 R335 | V330-M333 HydrophobicContact CG1-CB 3.62Å; V330-M333 HydrophobicContact CG1-CG 4.43Å; V330-M333 HydrophobicContact CG1-SD 4.05Å; K331-M333 WeakPolarHBondContact O-CA 3.46Å; K331-M333 WeakPolarHBondContact O-CB 3.2Å; K331-M333 PolarHBondContact O-N 2.84Å; M333-R335 PolarHBondContact O-N 3.19Å | ||
| 334 | E | 68.4 | Low | 69.3 | Low | 111 Ų | 111 | 70.1 Ų | 70.1 | 52% | 0.519 | 37% | 0.371 | S | S | . | . | trans | 30.1 | 84.9 | 161.2 | -50.3 | 179 | 142.9 | 0 | 0 | 114.2 | R292 S332 V336 P337 F338 | R292-E334 IonicContact NH1-OE2 3.02Å; S332-E334 PolarHBondContact O-N 2.92Å; S332-E334 VanDerWaalsContact O-N 3.15Å; E334-V336 PolarHBondContact O-N 2.84Å; E334-P337 HydrophobicContact CB-CB 4.21Å; E334-P337 HydrophobicContact CB-CG 3.49Å; E334-P337 VanDerWaalsContact CB-CG 3.49Å; E334-P337 HydrophobicContact CG-CG 4.43Å; E334-P337 WeakPolarHBondContact O-CD 3.4Å; E334-P337 WeakPolarHBondContact OE2-CG 3.48Å; E334-F338 PolarHBondContact O-N 3.15Å | ||
| 335 | R | 77.6 | Confident | 70.9 | Confident | 113 Ų | 113 | 69.7 Ų | 69.7 | 43% | 0.426 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -41.6 | -40.3 | 174.7 | 178.2 | 177.8 | -176 | -166.1 | -1.2 | 112.8 | N314 Y317 M333 V339 | N314-R335 PolarHBondContact ND2-NH2 3.35Å; N314-R335 VanDerWaalsContact ND2-NH2 3.11Å; N314-R335 PolarHBondContact O-NH2 3.21Å; N314-R335 PolarHBondContact OD1-NE 3.34Å; N314-R335 PolarHBondContact OD1-NH2 3.31Å; Y317-R335 HydrophobicContact CD1-CG 3.95Å; Y317-R335 HydrophobicContact CE1-CB 4.45Å; Y317-R335 HydrophobicContact CE1-CG 3.93Å; M333-R335 PolarHBondContact O-N 3.19Å; R335-V339 VanDerWaalsContact O-CG2 3.31Å; R335-V339 WeakPolarHBondContact O-CG2 3.25Å; R335-V339 PolarHBondContact O-N 3.11Å; R335-V339 VanDerWaalsContact O-N 3.15Å |
| 336 | V | 83.1 | Confident | 72.6 | Confident | 68 Ų | 68 | 64.8 Ų | 64.8 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.3 | -57.3 | -176.5 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | E334 F338 V339 L340 | E334-V336 PolarHBondContact O-N 2.84Å; V336-F338 VanDerWaalsContact C-N 3.29Å; V336-F338 PolarHBondContact O-N 2.94Å; V336-V339 PolarHBondContact O-N 2.85Å; V336-V339 VanDerWaalsContact O-N 3.11Å; V336-L340 HydrophobicContact CG1-CD1 3.8Å; V336-L340 HydrophobicContact CG1-CG 4.41Å; V336-L340 WeakPolarHBondContact O-CG 3.29Å; V336-L340 PolarHBondContact O-N 3.22Å |
| 337 | P | 85.6 | Confident | 74.5 | Confident | 24 Ų | 24 | 56 Ų | 56 | 16% | 0.156 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -50.6 | -40.2 | 170.5 | -34.6 | 34.6 | 0 | 0 | 0 | 115.2 | F287 E334 L340 D341 | F287-P337 HydrophobicContact CE2-CB 4.06Å; E334-P337 HydrophobicContact CB-CB 4.21Å; E334-P337 HydrophobicContact CB-CG 3.49Å; E334-P337 VanDerWaalsContact CB-CG 3.49Å; E334-P337 HydrophobicContact CG-CG 4.43Å; E334-P337 WeakPolarHBondContact O-CD 3.4Å; E334-P337 WeakPolarHBondContact OE2-CG 3.48Å; P337-L340 PolarHBondContact O-N 3.12Å; P337-D341 WeakPolarHBondContact O-CA 3.45Å; P337-D341 WeakPolarHBondContact O-CB 3.23Å; P337-D341 PolarHBondContact O-N 2.83Å |
| 338 | F | 85.7 | Confident | 76.4 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 4% | 0.035 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 177.9 | -175.1 | -95.9 | 0 | 0 | 0 | 111.8 | I275 L284 F287 Y317 E334 V336 V342 L343 | I275-F338 HydrophobicContact CG1-CE1 4.21Å; L284-F338 HydrophobicContact CD1-CE2 3.81Å; L284-F338 HydrophobicContact CD1-CZ 4.5Å; F287-F338 HydrophobicContact CD1-CD2 4.4Å; F287-F338 HydrophobicContact CE1-CD2 4.01Å; F287-F338 HydrophobicContact CE2-CB 4.35Å; F287-F338 HydrophobicContact CZ-CB 4.06Å; F287-F338 HydrophobicContact CZ-CD2 4.07Å; Y317-F338 AromaticContact CD2-CD1 3.55Å; Y317-F338 HydrophobicContact CD2-CD1 3.55Å; Y317-F338 AromaticContact CD2-CE1 3.61Å; Y317-F338 HydrophobicContact CD2-CE1 3.61Å; Y317-F338 AromaticContact CE2-CD1 3.39Å; Y317-F338 HydrophobicContact CE2-CD1 3.39Å; Y317-F338 AromaticContact CE2-CE1 3.57Å; Y317-F338 HydrophobicContact CE2-CE1 3.57Å; Y317-F338 HydrophobicContact CE2-CG 4.17Å; Y317-F338 HydrophobicContact CE2-CZ 4.46Å; E334-F338 PolarHBondContact O-N 3.15Å; V336-F338 VanDerWaalsContact C-N 3.29Å; V336-F338 PolarHBondContact O-N 2.94Å; F338-V342 HydrophobicContact CD2-CB 4.35Å; F338-V342 HydrophobicContact CD2-CG2 4.12Å; F338-V342 HydrophobicContact CE2-CB 4.27Å; F338-V342 HydrophobicContact CE2-CG1 4.28Å; F338-V342 HydrophobicContact CE2-CG2 4.24Å; F338-V342 HydrophobicContact CZ-CG1 4.37Å; F338-V342 VanDerWaalsContact O-CB 3.32Å; F338-V342 WeakPolarHBondContact O-CB 3.27Å; F338-V342 PolarHBondContact O-N 3.26Å; F338-V342 VanDerWaalsContact O-N 3.15Å; F338-L343 HydrophobicContact CD1-CD1 3.97Å; F338-L343 HydrophobicContact CD1-CG 3.97Å; F338-L343 HydrophobicContact CE1-CD1 3.78Å; F338-L343 HydrophobicContact CE1-CD2 3.81Å; F338-L343 HydrophobicContact CE1-CG 3.65Å; F338-L343 HydrophobicContact CZ-CD2 4.33Å; F338-L343 PolarHBondContact O-N 3.47Å |
| 339 | V | 88.8 | Confident | 78.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -63.7 | -46 | 176.8 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | Y310 L313 R335 V336 L343 L344 | Y310-V339 HydrophobicContact CD2-CB 4.4Å; Y310-V339 HydrophobicContact CD2-CG1 3.56Å; Y310-V339 HydrophobicContact CE2-CB 4.1Å; Y310-V339 HydrophobicContact CE2-CG1 3.74Å; L313-V339 HydrophobicContact CB-CG1 3.76Å; L313-V339 HydrophobicContact CD1-CG1 4.31Å; R335-V339 VanDerWaalsContact O-CG2 3.31Å; R335-V339 WeakPolarHBondContact O-CG2 3.25Å; R335-V339 PolarHBondContact O-N 3.11Å; R335-V339 VanDerWaalsContact O-N 3.15Å; V336-V339 PolarHBondContact O-N 2.85Å; V336-V339 VanDerWaalsContact O-N 3.11Å; V339-L343 HydrophobicContact CG2-CD1 4.25Å; V339-L343 PolarHBondContact O-N 3.48Å; V339-L344 VanDerWaalsContact O-CB 3.3Å; V339-L344 WeakPolarHBondContact O-CB 3.34Å; V339-L344 PolarHBondContact O-N 2.99Å |
| 340 | L | 87.6 | Confident | 80.4 | Confident | 65 Ų | 65 | 46 Ų | 46 | 34% | 0.34 | 23% | 0.234 | S | C | . | . | I | π-helix | trans | -78.8 | -39.8 | -174.6 | -64.6 | 178.1 | 0 | 0 | 0 | 113.9 | Y310 V336 P337 L344 P345 | Y310-L340 HydrophobicContact CD2-CD2 3.81Å; Y310-L340 HydrophobicContact CD2-CG 4.42Å; Y310-L340 HydrophobicContact CE2-CD2 4.28Å; Y310-L340 HydrophobicContact CE2-CG 4.41Å; V336-L340 HydrophobicContact CG1-CD1 3.8Å; V336-L340 HydrophobicContact CG1-CG 4.41Å; V336-L340 WeakPolarHBondContact O-CG 3.29Å; V336-L340 PolarHBondContact O-N 3.22Å; P337-L340 PolarHBondContact O-N 3.12Å; L340-L344 HydrophobicContact CD2-CD2 3.98Å; L340-P345 WeakPolarHBondContact O-CD 3.41Å |
| 341 | D | 85.6 | Confident | 82.5 | Confident | 33 Ų | 33 | 43.8 Ų | 43.8 | 18% | 0.176 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -90.6 | -18.1 | -173.8 | -61.9 | -22.5 | 0 | 0 | 0 | 112.8 | F287 P337 P345 | F287-D341 HydrophobicContact CD2-CB 4.04Å; F287-D341 HydrophobicContact CE2-CB 4.46Å; P337-D341 WeakPolarHBondContact O-CA 3.45Å; P337-D341 WeakPolarHBondContact O-CB 3.23Å; P337-D341 PolarHBondContact O-N 2.83Å; D341-P345 WeakPolarHBondContact O-CG 3.5Å |
| 342 | V | 87.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -121.2 | -59.6 | -177.5 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | V274 W283 L284 F287 F338 P345 E346 | V274-V342 HydrophobicContact CG1-CG1 4.27Å; W283-V342 HydrophobicContact CB-CG1 4.32Å; L284-V342 HydrophobicContact CB-CG1 3.95Å; L284-V342 HydrophobicContact CD1-CG1 4.4Å; F287-V342 HydrophobicContact CB-CG2 3.55Å; F287-V342 HydrophobicContact CD1-CG2 4.41Å; F287-V342 HydrophobicContact CD2-CG2 3.65Å; F287-V342 HydrophobicContact CE2-CG2 4.38Å; F287-V342 HydrophobicContact CG-CG2 3.64Å; F338-V342 HydrophobicContact CD2-CB 4.35Å; F338-V342 HydrophobicContact CD2-CG2 4.12Å; F338-V342 HydrophobicContact CE2-CB 4.27Å; F338-V342 HydrophobicContact CE2-CG1 4.28Å; F338-V342 HydrophobicContact CE2-CG2 4.24Å; F338-V342 HydrophobicContact CZ-CG1 4.37Å; F338-V342 VanDerWaalsContact O-CB 3.32Å; F338-V342 WeakPolarHBondContact O-CB 3.27Å; F338-V342 PolarHBondContact O-N 3.26Å; F338-V342 VanDerWaalsContact O-N 3.15Å; V342-P345 WeakPolarHBondContact O-CD 3.34Å; V342-P345 WeakPolarHBondContact O-CG 3.32Å; V342-E346 WeakPolarHBondContact O-CB 3.22Å; V342-E346 PolarHBondContact O-N 3Å |
| 343 | L | 90.8 | Very high | 86.9 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -72.6 | -39.7 | -171.6 | -61.9 | -178.1 | 0 | 0 | 0 | 112.6 | L271 I275 L313 Y317 F338 V339 E346 A347 | L271-L343 HydrophobicContact CD2-CD2 4.21Å; I275-L343 HydrophobicContact CD1-CD1 4.17Å; I275-L343 HydrophobicContact CD1-CD2 4.12Å; I275-L343 HydrophobicContact CG1-CD1 4.41Å; I275-L343 HydrophobicContact CG1-CD2 3.77Å; L313-L343 HydrophobicContact CD1-CB 4.18Å; L313-L343 HydrophobicContact CD2-CB 4.35Å; Y317-L343 HydrophobicContact CD2-CD1 4.29Å; F338-L343 HydrophobicContact CD1-CD1 3.97Å; F338-L343 HydrophobicContact CD1-CG 3.97Å; F338-L343 HydrophobicContact CE1-CD1 3.78Å; F338-L343 HydrophobicContact CE1-CD2 3.81Å; F338-L343 HydrophobicContact CE1-CG 3.65Å; F338-L343 HydrophobicContact CZ-CD2 4.33Å; F338-L343 PolarHBondContact O-N 3.47Å; V339-L343 HydrophobicContact CG2-CD1 4.25Å; V339-L343 PolarHBondContact O-N 3.48Å; L343-E346 PolarHBondContact O-N 3.41Å; L343-A347 WeakPolarHBondContact O-CB 3.35Å; L343-A347 PolarHBondContact O-N 3.24Å |
| 344 | L | 92.2 | Very high | 88.9 | Confident | 17 Ų | 17 | 26.3 Ų | 26.3 | 9% | 0.089 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.2 | -53.9 | 179.8 | -178.1 | 67.9 | 0 | 0 | 0 | 112.5 | L306 V309 L313 V339 L340 E346 A347 I348 | L306-L344 HydrophobicContact CD1-CD1 4.19Å; L306-L344 HydrophobicContact CD1-CD2 3.76Å; V309-L344 HydrophobicContact CB-CD1 4.42Å; V309-L344 HydrophobicContact CG1-CD1 3.58Å; L313-L344 HydrophobicContact CD1-CB 4.03Å; L313-L344 HydrophobicContact CD1-CD1 4.04Å; V339-L344 VanDerWaalsContact O-CB 3.3Å; V339-L344 WeakPolarHBondContact O-CB 3.34Å; V339-L344 PolarHBondContact O-N 2.99Å; L340-L344 HydrophobicContact CD2-CD2 3.98Å; L344-E346 VanDerWaalsContact C-N 3.32Å; L344-E346 PolarHBondContact O-N 3.45Å; L344-A347 PolarHBondContact O-N 3.24Å; L344-I348 HydrophobicContact CD1-CD1 3.89Å; L344-I348 HydrophobicContact CD1-CG1 4.38Å; L344-I348 HydrophobicContact CG-CD1 3.95Å; L344-I348 WeakPolarHBondContact O-CG1 3.48Å; L344-I348 PolarHBondContact O-N 3.2Å |
| 345 | P | 92 | Very high | 90.1 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.013 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.3 | -40.2 | 176.8 | 19.4 | -30.2 | 0 | 0 | 0 | 112.2 | W283 L340 D341 V342 I348 I349 Y367 | W283-P345 HydrophobicContact CB-CG 4.3Å; W283-P345 HydrophobicContact CD2-CB 3.81Å; W283-P345 HydrophobicContact CD2-CG 3.87Å; W283-P345 HydrophobicContact CE3-CB 4.26Å; W283-P345 HydrophobicContact CE3-CG 4.19Å; W283-P345 HydrophobicContact CG-CB 4.12Å; W283-P345 HydrophobicContact CG-CG 3.89Å; W283-P345 HydrophobicContact CZ2-CB 4.12Å; L340-P345 WeakPolarHBondContact O-CD 3.41Å; D341-P345 WeakPolarHBondContact O-CG 3.5Å; V342-P345 WeakPolarHBondContact O-CD 3.34Å; V342-P345 WeakPolarHBondContact O-CG 3.32Å; P345-I348 PolarHBondContact O-N 3.33Å; P345-I349 WeakPolarHBondContact O-CB 3.32Å; P345-I349 WeakPolarHBondContact O-CD1 3.47Å; P345-I349 WeakPolarHBondContact O-CG1 3.16Å; P345-I349 PolarHBondContact O-N 3.33Å; P345-Y367 HydrophobicContact CB-CE1 3.86Å |
| 346 | E | 92.3 | Very high | 90.7 | Very high | 10 Ų | 10 | 21.3 Ų | 21.3 | 5% | 0.047 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 177.2 | -160.2 | 82.1 | -163.7 | 0 | 0 | 111.1 | R270 L271 V274 S281 W283 V342 L343 L344 I348 I349 Y350 | R270-E346 IonicContact CZ-OE1 3.46Å; R270-E346 IonicContact NE-OE1 3.52Å; R270-E346 IonicContact NH1-OE1 3.24Å; R270-E346 IonicContact NH2-OE1 3.92Å; R270-E346 PolarHBondContact NH2-OE1 3.06Å; L271-E346 HydrophobicContact CD2-CB 4.02Å; L271-E346 HydrophobicContact CD2-CG 4.22Å; V274-E346 HydrophobicContact CG2-CG 4.35Å; S281-E346 WeakPolarHBondContact CB-OE2 3.49Å; S281-E346 PolarHBondContact OG-OE2 3.1Å; W283-E346 VanDerWaalsContact CD1-OE2 3.27Å; V342-E346 WeakPolarHBondContact O-CB 3.22Å; V342-E346 PolarHBondContact O-N 3Å; L343-E346 PolarHBondContact O-N 3.41Å; L344-E346 VanDerWaalsContact C-N 3.32Å; L344-E346 PolarHBondContact O-N 3.45Å; E346-I348 PolarHBondContact O-N 3.38Å; E346-I349 PolarHBondContact O-N 3.46Å; E346-Y350 HydrophobicContact CG-CD2 4.17Å; E346-Y350 HydrophobicContact CG-CE2 4.23Å; E346-Y350 VanDerWaalsContact O-CD2 3.27Å; E346-Y350 WeakPolarHBondContact O-CD2 3.44Å; E346-Y350 PolarHBondContact O-N 2.61Å; E346-Y350 VanDerWaalsContact O-N 3.09Å; E346-Y350 VanDerWaalsContact OE1-CE2 3.23Å; E346-Y350 WeakPolarHBondContact OE1-CE2 3.37Å |
| 347 | A | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I261 V267 L271 L313 L343 L344 A351 | I261-A347 HydrophobicContact CD1-CB 4.19Å; I261-A347 HydrophobicContact CG2-CB 4.39Å; V267-A347 HydrophobicContact CG2-CB 4.43Å; L271-A347 HydrophobicContact CD1-CB 4.07Å; L271-A347 HydrophobicContact CD2-CB 4.2Å; L313-A347 HydrophobicContact CD1-CB 4.33Å; L313-A347 HydrophobicContact CD2-CB 3.96Å; L343-A347 WeakPolarHBondContact O-CB 3.35Å; L343-A347 PolarHBondContact O-N 3.24Å; L344-A347 PolarHBondContact O-N 3.24Å; A347-A351 VanDerWaalsContact O-CB 3.25Å; A347-A351 WeakPolarHBondContact O-CB 3.39Å; A347-A351 PolarHBondContact O-N 3.04Å |
| 348 | I | 93.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.8 | -45.2 | -179.9 | -66 | 168.9 | 0 | 0 | 0 | 110.7 | I261 Y299 L300 L344 P345 E346 Y350 A351 I352 Y367 | I261-I348 HydrophobicContact CD1-CG1 4.44Å; Y299-I348 HydrophobicContact CD1-CD1 4.49Å; Y299-I348 HydrophobicContact CD1-CG2 3.65Å; Y299-I348 HydrophobicContact CE1-CG2 3.88Å; Y299-I348 HydrophobicContact CG-CG2 4.07Å; L300-I348 HydrophobicContact CD1-CD1 4.21Å; L300-I348 HydrophobicContact CG-CD1 4.17Å; L344-I348 HydrophobicContact CD1-CD1 3.89Å; L344-I348 HydrophobicContact CD1-CG1 4.38Å; L344-I348 HydrophobicContact CG-CD1 3.95Å; L344-I348 WeakPolarHBondContact O-CG1 3.48Å; L344-I348 PolarHBondContact O-N 3.2Å; P345-I348 PolarHBondContact O-N 3.33Å; E346-I348 PolarHBondContact O-N 3.38Å; I348-Y350 PolarHBondContact O-N 3.28Å; I348-A351 WeakPolarHBondContact O-CB 3.26Å; I348-A351 PolarHBondContact O-N 3.27Å; I348-I352 HydrophobicContact CG2-CD1 3.79Å; I348-I352 HydrophobicContact CG2-CG1 4.34Å; I348-I352 VanDerWaalsContact O-CG1 3.29Å; I348-I352 WeakPolarHBondContact O-CG1 3.27Å; I348-I352 PolarHBondContact O-N 3.16Å; I348-Y367 HydrophobicContact CB-CD2 4.23Å; I348-Y367 HydrophobicContact CB-CE2 4.22Å; I348-Y367 HydrophobicContact CD1-CE2 4.11Å; I348-Y367 HydrophobicContact CG2-CD2 3.67Å; I348-Y367 HydrophobicContact CG2-CE2 4.01Å |
| 349 | I | 93.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.7 | -45 | -179.9 | -70 | 165.8 | 0 | 0 | 0 | 111 | W283 P345 E346 A351 I352 A353 V360 A363 E364 Y367 | W283-I349 HydrophobicContact CZ2-CD1 3.88Å; P345-I349 WeakPolarHBondContact O-CB 3.32Å; P345-I349 WeakPolarHBondContact O-CD1 3.47Å; P345-I349 WeakPolarHBondContact O-CG1 3.16Å; P345-I349 PolarHBondContact O-N 3.33Å; E346-I349 PolarHBondContact O-N 3.46Å; I349-A351 VanDerWaalsContact C-N 3.32Å; I349-A351 PolarHBondContact O-N 3.15Å; I349-I352 PolarHBondContact O-N 3.46Å; I349-A353 WeakPolarHBondContact O-CB 3.44Å; I349-A353 PolarHBondContact O-N 3.17Å; I349-V360 HydrophobicContact CG2-CG1 4.1Å; I349-A363 HydrophobicContact CG2-CB 4.01Å; I349-A363 WeakPolarHBondContact O-CB 3.25Å; I349-E364 HydrophobicContact CD1-CB 4.29Å; I349-E364 HydrophobicContact CD1-CG 4.42Å; I349-E364 HydrophobicContact CG2-CB 4.18Å; I349-Y367 HydrophobicContact CD1-CD1 3.98Å; I349-Y367 HydrophobicContact CD1-CG 4.18Å; I349-Y367 HydrophobicContact CG1-CD1 4.13Å; I349-Y367 HydrophobicContact CG1-CD2 4.37Å; I349-Y367 HydrophobicContact CG1-CG 3.8Å |
| 350 | Y | 93.3 | Very high | 92.3 | Very high | 51 Ų | 51 | 31.3 Ų | 31.3 | 20% | 0.2 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.7 | -30.3 | 177.8 | -82.7 | -96.9 | 0 | 0 | 0 | 112.6 | R270 E346 I348 A353 G354 V360 | R270-Y350 HydrophobicContact CB-CD1 4.45Å; R270-Y350 HydrophobicContact CG-CD1 3.97Å; R270-Y350 HydrophobicContact CG-CD2 4.02Å; R270-Y350 HydrophobicContact CG-CE1 3.84Å; R270-Y350 HydrophobicContact CG-CE2 3.91Å; R270-Y350 HydrophobicContact CG-CG 4.08Å; R270-Y350 VanDerWaalsContact CZ-OH 3.27Å; R270-Y350 PolarHBondContact NE-OH 3.49Å; R270-Y350 PolarHBondContact NH2-OH 2.91Å; E346-Y350 HydrophobicContact CG-CD2 4.17Å; E346-Y350 HydrophobicContact CG-CE2 4.23Å; E346-Y350 VanDerWaalsContact O-CD2 3.27Å; E346-Y350 WeakPolarHBondContact O-CD2 3.44Å; E346-Y350 PolarHBondContact O-N 2.61Å; E346-Y350 VanDerWaalsContact O-N 3.09Å; E346-Y350 VanDerWaalsContact OE1-CE2 3.23Å; E346-Y350 WeakPolarHBondContact OE1-CE2 3.37Å; I348-Y350 PolarHBondContact O-N 3.28Å; Y350-A353 PolarHBondContact O-N 2.85Å; Y350-G354 PolarHBondContact O-N 3.46Å; Y350-V360 HydrophobicContact CE1-CG2 3.97Å; Y350-V360 HydrophobicContact CE2-CG1 4.09Å |
| 351 | A | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.2 | -43.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L257 F260 I261 A347 I348 I349 A353 G354 V355 | L257-A351 HydrophobicContact CB-CB 4.27Å; L257-A351 HydrophobicContact CD2-CB 4.17Å; F260-A351 HydrophobicContact CD1-CB 3.91Å; I261-A351 HydrophobicContact CD1-CB 3.73Å; I261-A351 HydrophobicContact CG1-CB 3.55Å; A347-A351 VanDerWaalsContact O-CB 3.25Å; A347-A351 WeakPolarHBondContact O-CB 3.39Å; A347-A351 PolarHBondContact O-N 3.04Å; I348-A351 WeakPolarHBondContact O-CB 3.26Å; I348-A351 PolarHBondContact O-N 3.27Å; I349-A351 VanDerWaalsContact C-N 3.32Å; I349-A351 PolarHBondContact O-N 3.15Å; A351-A353 VanDerWaalsContact C-N 3.34Å; A351-A353 PolarHBondContact O-N 2.78Å; A351-G354 PolarHBondContact O-N 3.19Å; A351-V355 WeakPolarHBondContact O-CB 3.32Å; A351-V355 VanDerWaalsContact O-CG2 3.31Å; A351-V355 WeakPolarHBondContact O-CG2 3.42Å; A351-V355 PolarHBondContact O-N 2.91Å |
| 352 | I | 93.8 | Very high | 93 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 174.2 | -67.3 | 164.9 | 0 | 0 | 0 | 109.9 | L257 Y299 I348 I349 G354 D356 V358 A363 K366 | L257-I352 HydrophobicContact CD1-CG1 3.94Å; L257-I352 HydrophobicContact CD2-CG1 4.03Å; Y299-I352 HydrophobicContact CE1-CD1 4.23Å; Y299-I352 HydrophobicContact CE2-CD1 4.07Å; Y299-I352 WeakPolarHBondContact OH-CD1 3.27Å; I348-I352 HydrophobicContact CG2-CD1 3.79Å; I348-I352 HydrophobicContact CG2-CG1 4.34Å; I348-I352 VanDerWaalsContact O-CG1 3.29Å; I348-I352 WeakPolarHBondContact O-CG1 3.27Å; I348-I352 PolarHBondContact O-N 3.16Å; I349-I352 PolarHBondContact O-N 3.46Å; I352-G354 VanDerWaalsContact C-N 3.3Å; I352-G354 PolarHBondContact O-N 2.97Å; I352-D356 VanDerWaalsContact O-CB 3.27Å; I352-D356 WeakPolarHBondContact O-CB 3.47Å; I352-D356 PolarHBondContact O-N 3.46Å; I352-V358 HydrophobicContact CG2-CG2 4.37Å; I352-A363 HydrophobicContact CB-CB 3.96Å; I352-A363 HydrophobicContact CG2-CB 3.69Å; I352-K366 HydrophobicContact CG2-CB 4.44Å; I352-K366 HydrophobicContact CG2-CD 3.98Å |
| 353 | A | 95.1 | Very high | 93.3 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 12% | 0.116 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.3 | -42.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I349 Y350 A351 N357 V358 V360 A363 | I349-A353 WeakPolarHBondContact O-CB 3.44Å; I349-A353 PolarHBondContact O-N 3.17Å; Y350-A353 PolarHBondContact O-N 2.85Å; A351-A353 VanDerWaalsContact C-N 3.34Å; A351-A353 PolarHBondContact O-N 2.78Å; A353-N357 VanDerWaalsContact O-CA 3.25Å; A353-N357 WeakPolarHBondContact O-CA 3.42Å; A353-N357 PolarHBondContact O-N 3.39Å; A353-N357 VanDerWaalsContact O-N 3.13Å; A353-V358 PolarHBondContact O-N 2.9Å; A353-V358 VanDerWaalsContact O-N 3.1Å; A353-V360 HydrophobicContact CB-CG2 4.48Å; A353-A363 HydrophobicContact CB-CB 3.92Å |
| 354 | G | 92.6 | Very high | 93.4 | Very high | 28 Ų | 28 | 41.5 Ų | 41.5 | 29% | 0.289 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -75.6 | -39.9 | 180 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y350 A351 I352 | Y350-G354 PolarHBondContact O-N 3.46Å; A351-G354 PolarHBondContact O-N 3.19Å; I352-G354 VanDerWaalsContact C-N 3.3Å; I352-G354 PolarHBondContact O-N 2.97Å |
| 355 | V | 93.5 | Very high | 93.4 | Very high | 46 Ų | 46 | 46.9 Ų | 46.9 | 28% | 0.279 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -76.8 | -43.1 | -178.6 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | K256 L257 F260 A351 N357 | K256-V355 HydrophobicContact CB-CG1 4.44Å; L257-V355 HydrophobicContact CD2-CB 3.97Å; L257-V355 HydrophobicContact CD2-CG1 4.32Å; L257-V355 HydrophobicContact CD2-CG2 3.98Å; F260-V355 HydrophobicContact CB-CG2 3.77Å; F260-V355 HydrophobicContact CD1-CG2 4.49Å; F260-V355 HydrophobicContact CD2-CG2 3.74Å; F260-V355 HydrophobicContact CE2-CG2 4.46Å; F260-V355 HydrophobicContact CG-CG2 3.77Å; A351-V355 WeakPolarHBondContact O-CB 3.32Å; A351-V355 VanDerWaalsContact O-CG2 3.31Å; A351-V355 WeakPolarHBondContact O-CG2 3.42Å; A351-V355 PolarHBondContact O-N 2.91Å; V355-N357 VanDerWaalsContact C-N 3.33Å |
| 356 | D | 91.3 | Very high | 93.3 | Very high | 73 Ų | 73 | 50.6 Ų | 50.6 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -3.3 | -179 | -65.6 | -10.5 | 0 | 0 | 0 | 112.9 | I352 V358 K366 | I352-D356 VanDerWaalsContact O-CB 3.27Å; I352-D356 WeakPolarHBondContact O-CB 3.47Å; I352-D356 PolarHBondContact O-N 3.46Å; D356-V358 VanDerWaalsContact C-N 3.3Å; D356-V358 HydrophobicContact CB-CG1 4Å; D356-V358 HydrophobicContact CB-CG2 4.09Å; D356-V358 PolarHBondContact O-N 3.3Å; D356-K366 IonicContact OD2-NZ 2.83Å; D356-K366 PolarHBondContact OD2-NZ 3.35Å |
| 357 | N | 92.8 | Very high | 93.2 | Very high | 144 Ų | 144 | 50.5 Ų | 50.5 | 77% | 0.77 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 47.6 | -173.9 | -64.5 | -68.9 | 0 | 0 | 0 | 112.7 | A353 V355 | A353-N357 VanDerWaalsContact O-CA 3.25Å; A353-N357 WeakPolarHBondContact O-CA 3.42Å; A353-N357 PolarHBondContact O-N 3.39Å; A353-N357 VanDerWaalsContact O-N 3.13Å; V355-N357 VanDerWaalsContact C-N 3.33Å |
| 358 | V | 94.9 | Very high | 93 | Very high | 32 Ų | 32 | 54.6 Ų | 54.6 | 19% | 0.194 | 28% | 0.284 | C | S | . | . | trans | -113.5 | 160.6 | -179.9 | -63.9 | 0 | 0 | 0 | 0 | 111.6 | I352 A353 D356 K362 A363 | I352-V358 HydrophobicContact CG2-CG2 4.37Å; A353-V358 PolarHBondContact O-N 2.9Å; A353-V358 VanDerWaalsContact O-N 3.1Å; D356-V358 VanDerWaalsContact C-N 3.3Å; D356-V358 HydrophobicContact CB-CG1 4Å; D356-V358 HydrophobicContact CB-CG2 4.09Å; D356-V358 PolarHBondContact O-N 3.3Å; V358-K362 HydrophobicContact CB-CB 4.31Å; V358-K362 HydrophobicContact CB-CD 4.16Å; V358-K362 HydrophobicContact CB-CG 4.42Å; V358-K362 HydrophobicContact CG1-CD 4.1Å; V358-A363 HydrophobicContact CG2-CB 3.99Å | ||
| 359 | S | 95.9 | Very high | 92.7 | Very high | 77 Ų | 77 | 62.1 Ų | 62.1 | 54% | 0.538 | 32% | 0.317 | S | S | . | . | trans | -62.6 | 150.1 | 173 | 66 | 0 | 0 | 0 | 0 | 111.2 | K361 K362 A363 | S359-K361 PolarHBondContact O-N 2.79Å; S359-K362 PolarHBondContact O-N 3.16Å; S359-K362 WeakPolarHBondContact OG-CB 3.32Å; S359-K362 PolarHBondContact OG-N 2.81Å; S359-A363 PolarHBondContact O-N 2.92Å | ||
| 360 | V | 92.9 | Very high | 92.4 | Very high | 56 Ų | 56 | 63 Ų | 63 | 34% | 0.339 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56 | -39.5 | 180 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | I349 Y350 A353 K362 A363 E364 | I349-V360 HydrophobicContact CG2-CG1 4.1Å; Y350-V360 HydrophobicContact CE1-CG2 3.97Å; Y350-V360 HydrophobicContact CE2-CG1 4.09Å; A353-V360 HydrophobicContact CB-CG2 4.48Å; V360-K362 PolarHBondContact O-N 3.15Å; V360-A363 WeakPolarHBondContact O-CB 3.21Å; V360-A363 PolarHBondContact O-N 3.44Å; V360-E364 WeakPolarHBondContact O-CB 3.44Å; V360-E364 PolarHBondContact O-N 2.97Å |
| 361 | K | 93.3 | Very high | 91.9 | Very high | 160 Ų | 160 | 62.5 Ų | 62.5 | 70% | 0.696 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.5 | -43.1 | 175.7 | -67 | -172.1 | 177.8 | -176.3 | 0 | 112.4 | S359 E364 E365 | S359-K361 PolarHBondContact O-N 2.79Å; K361-E364 WeakPolarHBondContact O-CB 3.46Å; K361-E364 PolarHBondContact O-N 2.95Å; K361-E365 WeakPolarHBondContact O-CG 3.5Å; K361-E365 PolarHBondContact O-N 3.43Å |
| 362 | K | 93.5 | Very high | 91.1 | Very high | 110 Ų | 110 | 67 Ų | 67 | 48% | 0.478 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70.7 | -34.6 | 178.1 | -170 | 175 | -177.4 | 179.7 | 0 | 112 | V358 S359 V360 E364 K366 | V358-K362 HydrophobicContact CB-CB 4.31Å; V358-K362 HydrophobicContact CB-CD 4.16Å; V358-K362 HydrophobicContact CB-CG 4.42Å; V358-K362 HydrophobicContact CG1-CD 4.1Å; S359-K362 PolarHBondContact O-N 3.16Å; S359-K362 WeakPolarHBondContact OG-CB 3.32Å; S359-K362 PolarHBondContact OG-N 2.81Å; V360-K362 PolarHBondContact O-N 3.15Å; K362-E364 VanDerWaalsContact C-N 3.32Å; K362-K366 WeakPolarHBondContact O-CG 3.44Å; K362-K366 PolarHBondContact O-N 3Å; K362-K366 VanDerWaalsContact O-N 3.07Å |
| 363 | A | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65 | -38.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | I349 I352 A353 V358 S359 V360 K366 Y367 | I349-A363 HydrophobicContact CG2-CB 4.01Å; I349-A363 WeakPolarHBondContact O-CB 3.25Å; I352-A363 HydrophobicContact CB-CB 3.96Å; I352-A363 HydrophobicContact CG2-CB 3.69Å; A353-A363 HydrophobicContact CB-CB 3.92Å; V358-A363 HydrophobicContact CG2-CB 3.99Å; S359-A363 PolarHBondContact O-N 2.92Å; V360-A363 WeakPolarHBondContact O-CB 3.21Å; V360-A363 PolarHBondContact O-N 3.44Å; A363-K366 WeakPolarHBondContact O-CB 3.48Å; A363-K366 PolarHBondContact O-N 3.34Å; A363-Y367 PolarHBondContact O-N 2.89Å |
| 364 | E | 92.3 | Very high | 89.7 | Confident | 43 Ų | 43 | 73 Ų | 73 | 20% | 0.201 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.7 | -42.8 | 175.6 | 170.7 | 176.8 | -146.5 | 0 | 0 | 112.7 | R282 I349 V360 K361 K362 K366 Y367 L368 | R282-E364 WeakPolarHBondContact CD-OE1 2.85Å; R282-E364 IonicContact CZ-OE1 2.84Å; R282-E364 IonicContact NE-OE1 3.36Å; R282-E364 PolarHBondContact NE-OE1 3.17Å; R282-E364 IonicContact NH1-OE1 3.07Å; R282-E364 PolarHBondContact NH1-OE1 3.36Å; I349-E364 HydrophobicContact CD1-CB 4.29Å; I349-E364 HydrophobicContact CD1-CG 4.42Å; I349-E364 HydrophobicContact CG2-CB 4.18Å; V360-E364 WeakPolarHBondContact O-CB 3.44Å; V360-E364 PolarHBondContact O-N 2.97Å; K361-E364 WeakPolarHBondContact O-CB 3.46Å; K361-E364 PolarHBondContact O-N 2.95Å; K362-E364 VanDerWaalsContact C-N 3.32Å; E364-K366 VanDerWaalsContact C-N 3.3Å; E364-K366 PolarHBondContact O-N 3.24Å; E364-Y367 WeakPolarHBondContact O-CB 3.27Å; E364-Y367 PolarHBondContact O-N 3.3Å; E364-L368 HydrophobicContact CG-CD1 4.39Å; E364-L368 WeakPolarHBondContact O-CG 3.3Å; E364-L368 PolarHBondContact O-N 2.98Å |
| 365 | E | 92.1 | Very high | 89.1 | Confident | 131 Ų | 131 | 77.9 Ų | 77.9 | 61% | 0.612 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -58.8 | -42.3 | 171.1 | -72.9 | 170 | -170.1 | 0 | 0 | 111.7 | K361 L368 K369 | K361-E365 WeakPolarHBondContact O-CG 3.5Å; K361-E365 PolarHBondContact O-N 3.43Å; E365-L368 PolarHBondContact O-N 2.89Å; E365-K369 VanDerWaalsContact O-CB 3.25Å; E365-K369 WeakPolarHBondContact O-CB 3.44Å; E365-K369 PolarHBondContact O-N 3Å |
| 366 | K | 91.1 | Very high | 88.5 | Confident | 80 Ų | 80 | 79.7 Ų | 79.7 | 35% | 0.348 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 174.4 | -77.4 | -172.7 | 177.9 | -167.8 | 0 | 112.1 | I352 D356 K362 A363 E364 K369 G370 | I352-K366 HydrophobicContact CG2-CB 4.44Å; I352-K366 HydrophobicContact CG2-CD 3.98Å; D356-K366 IonicContact OD2-NZ 2.83Å; D356-K366 PolarHBondContact OD2-NZ 3.35Å; K362-K366 WeakPolarHBondContact O-CG 3.44Å; K362-K366 PolarHBondContact O-N 3Å; K362-K366 VanDerWaalsContact O-N 3.07Å; A363-K366 WeakPolarHBondContact O-CB 3.48Å; A363-K366 PolarHBondContact O-N 3.34Å; E364-K366 VanDerWaalsContact C-N 3.3Å; E364-K366 PolarHBondContact O-N 3.24Å; K366-K369 PolarHBondContact O-N 3.27Å; K366-G370 PolarHBondContact O-N 3.22Å |
| 367 | Y | 90.5 | Very high | 87.9 | Confident | 7 Ų | 7 | 78.1 Ų | 78.1 | 3% | 0.027 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 177.4 | 176.2 | -101.7 | 0 | 0 | 0 | 112.1 | W283 N297 Y299 P345 I348 I349 A363 E364 G370 | W283-Y367 HydrophobicContact CH2-CD1 4.16Å; W283-Y367 AromaticContact CH2-CE1 3.71Å; W283-Y367 HydrophobicContact CH2-CE1 3.71Å; W283-Y367 AromaticContact CZ2-CD1 3.88Å; W283-Y367 HydrophobicContact CZ2-CD1 3.88Å; W283-Y367 AromaticContact CZ2-CE1 3.72Å; W283-Y367 HydrophobicContact CZ2-CE1 3.72Å; N297-Y367 HydrophobicContact CB-CE1 4.17Å; N297-Y367 WeakPolarHBondContact ND2-CE1 3.14Å; N297-Y367 PolarHBondContact ND2-O 3.35Å; Y299-Y367 AromaticContact CD2-CD2 3.57Å; Y299-Y367 HydrophobicContact CD2-CD2 3.57Å; Y299-Y367 HydrophobicContact CD2-CE2 4.09Å; Y299-Y367 HydrophobicContact CD2-CG 4.39Å; Y299-Y367 HydrophobicContact CE2-CD2 4.24Å; Y299-Y367 AromaticContact CG-CD2 3.81Å; Y299-Y367 HydrophobicContact CG-CD2 3.81Å; Y299-Y367 AromaticContact CG-CE2 3.95Å; Y299-Y367 HydrophobicContact CG-CE2 3.95Å; P345-Y367 HydrophobicContact CB-CE1 3.86Å; I348-Y367 HydrophobicContact CB-CD2 4.23Å; I348-Y367 HydrophobicContact CB-CE2 4.22Å; I348-Y367 HydrophobicContact CD1-CE2 4.11Å; I348-Y367 HydrophobicContact CG2-CD2 3.67Å; I348-Y367 HydrophobicContact CG2-CE2 4.01Å; I349-Y367 HydrophobicContact CD1-CD1 3.98Å; I349-Y367 HydrophobicContact CD1-CG 4.18Å; I349-Y367 HydrophobicContact CG1-CD1 4.13Å; I349-Y367 HydrophobicContact CG1-CD2 4.37Å; I349-Y367 HydrophobicContact CG1-CG 3.8Å; A363-Y367 PolarHBondContact O-N 2.89Å; E364-Y367 WeakPolarHBondContact O-CB 3.27Å; E364-Y367 PolarHBondContact O-N 3.3Å; Y367-G370 PolarHBondContact O-N 3.37Å |
| 368 | L | 89.1 | Confident | 87.6 | Confident | 87 Ų | 87 | 79 Ų | 79 | 46% | 0.455 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.1 | -34.4 | 178.4 | -69.5 | 174.4 | 0 | 0 | 0 | 112.9 | W283 E364 E365 G370 | W283-L368 HydrophobicContact CH2-CD2 3.96Å; E364-L368 HydrophobicContact CG-CD1 4.39Å; E364-L368 WeakPolarHBondContact O-CG 3.3Å; E364-L368 PolarHBondContact O-N 2.98Å; E365-L368 PolarHBondContact O-N 2.89Å; L368-G370 VanDerWaalsContact C-N 3.31Å |
| 369 | K | 87.8 | Confident | 87 | Confident | 161 Ų | 161 | 83.1 Ų | 83.1 | 70% | 0.7 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -67.5 | -34.1 | 175.8 | -174.5 | 175.6 | -179.7 | 178.4 | 0 | 111.9 | E365 K366 | E365-K369 VanDerWaalsContact O-CB 3.25Å; E365-K369 WeakPolarHBondContact O-CB 3.44Å; E365-K369 PolarHBondContact O-N 3Å; K366-K369 PolarHBondContact O-N 3.27Å |
| 370 | G | 85.8 | Confident | 86.4 | Confident | 23 Ų | 23 | 84 Ų | 84 | 24% | 0.237 | 40% | 0.403 | C | S | . | . | trans | 64.8 | -165.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K366 Y367 L368 | K366-G370 PolarHBondContact O-N 3.22Å; Y367-G370 PolarHBondContact O-N 3.37Å; L368-G370 VanDerWaalsContact C-N 3.31Å | ||
| 371 | R | 83.2 | Confident | 85.9 | Confident | 39 Ų | 39 | 87.3 Ų | 87.3 | 15% | 0.147 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 140.7 | 177 | -175.3 | -179.7 | 169.5 | -123.6 | -11.7 | 110.6 | T246 H247 E301 I373 E377 | T246-R371 PolarHBondContact OG1-NH2 3.31Å; H247-R371 PolarHBondContact CD2-NH1 3.42Å; E301-R371 IonicContact OE2-NH1 2.91Å; E301-R371 PolarHBondContact OE2-NH1 2.88Å; R371-I373 PolarHBondContact O-N 2.94Å; R371-E377 IonicContact CZ-OE1 3.96Å; R371-E377 IonicContact CZ-OE2 2.68Å; R371-E377 IonicContact NH1-OE1 3.91Å; R371-E377 PolarHBondContact NH1-OE1 3.21Å; R371-E377 IonicContact NH1-OE2 3.13Å; R371-E377 PolarHBondContact NH1-OE2 3.19Å; R371-E377 IonicContact NH2-OE1 3.8Å; R371-E377 PolarHBondContact NH2-OE1 2.81Å; R371-E377 IonicContact NH2-OE2 2.53Å; R371-E377 PolarHBondContact NH2-OE2 3.15Å |
| 372 | C | 77.8 | Confident | 85.6 | Confident | 94 Ų | 94 | 83.2 Ų | 83.2 | 64% | 0.635 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -78.9 | 119.7 | 167.4 | -64 | 0 | 0 | 0 | 0 | 109.3 | ||
| 373 | I | 79.8 | Confident | 85.3 | Confident | 123 Ų | 123 | 82.5 Ų | 82.5 | 63% | 0.631 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 133.7 | 176.7 | -58.5 | 172.8 | 0 | 0 | 0 | 109.1 | R371 E377 | R371-I373 PolarHBondContact O-N 2.94Å; I373-E377 HydrophobicContact CG2-CB 3.73Å |
| 374 | S | 80.7 | Confident | 84.9 | Confident | 19 Ų | 19 | 87.5 Ų | 87.5 | 13% | 0.133 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 152.6 | 179.1 | 93 | 0 | 0 | 0 | 0 | 110.8 | D244 R376 E377 R378 | D244-S374 WeakPolarHBondContact OD2-CB 3.49Å; D244-S374 PolarHBondContact OD2-OG 3.28Å; S374-R376 PolarHBondContact O-N 3.44Å; S374-R376 VanDerWaalsContact O-N 3.14Å; S374-R376 PolarHBondContact OG-N 3.37Å; S374-E377 PolarHBondContact N-OE2 3.11Å; S374-E377 PolarHBondContact O-N 2.94Å; S374-E377 WeakPolarHBondContact OG-CG 3.43Å; S374-E377 PolarHBondContact OG-N 3.26Å; S374-R378 WeakPolarHBondContact O-CB 3.38Å; S374-R378 PolarHBondContact O-N 3.48Å |
| 375 | N | 79.1 | Confident | 84.6 | Confident | 131 Ų | 131 | 88.1 Ų | 88.1 | 70% | 0.701 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -57.8 | -28.9 | 174.4 | -73.2 | -18.8 | 0 | 0 | 0 | 111.8 | Q379 | N375-Q379 VanDerWaalsContact O-CG 3.27Å; N375-Q379 WeakPolarHBondContact O-CG 3.16Å; N375-Q379 PolarHBondContact O-N 3.01Å; N375-Q379 VanDerWaalsContact O-N 3.07Å |
| 376 | R | 80.5 | Confident | 84.3 | Confident | 84 Ų | 84 | 87.5 Ų | 87.5 | 32% | 0.317 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -73 | -49.6 | 178 | 179 | 179.6 | 173.3 | 133.1 | 10.5 | 111.8 | L241 L242 S374 R378 Q379 E380 | L241-R376 VanDerWaalsContact CB-NH1 3.34Å; L242-R376 PolarHBondContact O-NH1 2.71Å; S374-R376 PolarHBondContact O-N 3.44Å; S374-R376 VanDerWaalsContact O-N 3.14Å; S374-R376 PolarHBondContact OG-N 3.37Å; R376-R378 PolarHBondContact O-N 3.42Å; R376-Q379 WeakPolarHBondContact O-CB 3.48Å; R376-Q379 PolarHBondContact O-N 3.37Å; R376-E380 HydrophobicContact CG-CG 4.48Å; R376-E380 IonicContact CZ-OE1 3.23Å; R376-E380 IonicContact NE-OE1 3.79Å; R376-E380 PolarHBondContact NE-OE1 3.34Å; R376-E380 IonicContact NH2-OE1 3.6Å; R376-E380 PolarHBondContact NH2-OE1 3.06Å; R376-E380 PolarHBondContact O-N 2.94Å |
| 377 | E | 80.2 | Confident | 84 | Confident | 39 Ų | 39 | 92.2 Ų | 92.2 | 18% | 0.182 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -56.8 | -38.3 | 175.4 | -73.7 | 169.4 | 153.2 | 0 | 0 | 110.9 | R371 I373 S374 E380 F381 | R371-E377 IonicContact CZ-OE1 3.96Å; R371-E377 IonicContact CZ-OE2 2.68Å; R371-E377 IonicContact NH1-OE1 3.91Å; R371-E377 PolarHBondContact NH1-OE1 3.21Å; R371-E377 IonicContact NH1-OE2 3.13Å; R371-E377 PolarHBondContact NH1-OE2 3.19Å; R371-E377 IonicContact NH2-OE1 3.8Å; R371-E377 PolarHBondContact NH2-OE1 2.81Å; R371-E377 IonicContact NH2-OE2 2.53Å; R371-E377 PolarHBondContact NH2-OE2 3.15Å; I373-E377 HydrophobicContact CG2-CB 3.73Å; S374-E377 PolarHBondContact N-OE2 3.11Å; S374-E377 PolarHBondContact O-N 2.94Å; S374-E377 WeakPolarHBondContact OG-CG 3.43Å; S374-E377 PolarHBondContact OG-N 3.26Å; E377-E380 PolarHBondContact O-N 3.05Å; E377-F381 WeakPolarHBondContact O-CB 3.43Å; E377-F381 PolarHBondContact O-N 3.46Å |
| 378 | R | 85.3 | Confident | 83.8 | Confident | 164 Ų | 164 | 95.3 Ų | 95.3 | 62% | 0.619 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.2 | -48 | 173.8 | -171.5 | 176 | -170.9 | 146.2 | 7.4 | 112.1 | S374 R376 F381 D382 | S374-R378 WeakPolarHBondContact O-CB 3.38Å; S374-R378 PolarHBondContact O-N 3.48Å; R376-R378 PolarHBondContact O-N 3.42Å; R378-F381 PolarHBondContact O-N 3.4Å; R378-D382 WeakPolarHBondContact O-CB 3.26Å; R378-D382 PolarHBondContact O-N 3.22Å |
| 379 | Q | 82.9 | Confident | 83.5 | Confident | 117 Ų | 117 | 97.1 Ų | 97.1 | 55% | 0.547 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 176.4 | -73.7 | 168.2 | -6.3 | 0 | 0 | 112.3 | N375 R376 F381 D382 L383 | N375-Q379 VanDerWaalsContact O-CG 3.27Å; N375-Q379 WeakPolarHBondContact O-CG 3.16Å; N375-Q379 PolarHBondContact O-N 3.01Å; N375-Q379 VanDerWaalsContact O-N 3.07Å; R376-Q379 WeakPolarHBondContact O-CB 3.48Å; R376-Q379 PolarHBondContact O-N 3.37Å; Q379-F381 VanDerWaalsContact C-N 3.3Å; Q379-F381 PolarHBondContact O-N 3.26Å; Q379-D382 PolarHBondContact O-N 3.36Å; Q379-L383 WeakPolarHBondContact O-CB 3.5Å; Q379-L383 VanDerWaalsContact O-CG 3.25Å; Q379-L383 WeakPolarHBondContact O-CG 3.47Å; Q379-L383 PolarHBondContact O-N 3.02Å |
| 380 | E | 82.9 | Confident | 83.2 | Confident | 97 Ų | 97 | 96.9 Ų | 96.9 | 45% | 0.453 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 177.3 | -72.6 | 177.6 | -177.3 | 0 | 0 | 111.2 | R376 E377 M384 | R376-E380 HydrophobicContact CG-CG 4.48Å; R376-E380 IonicContact CZ-OE1 3.23Å; R376-E380 IonicContact NE-OE1 3.79Å; R376-E380 PolarHBondContact NE-OE1 3.34Å; R376-E380 IonicContact NH2-OE1 3.6Å; R376-E380 PolarHBondContact NH2-OE1 3.06Å; R376-E380 PolarHBondContact O-N 2.94Å; E377-E380 PolarHBondContact O-N 3.05Å; E380-M384 WeakPolarHBondContact O-CB 3.32Å; E380-M384 PolarHBondContact O-N 3Å |
| 381 | F | 82.5 | Confident | 82.8 | Confident | 124 Ų | 124 | 102.5 Ų | 102.5 | 54% | 0.544 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.4 | -47.6 | 173.7 | -171.8 | -96.5 | 0 | 0 | 0 | 112.1 | E377 R378 Q379 L383 M384 I385 | E377-F381 WeakPolarHBondContact O-CB 3.43Å; E377-F381 PolarHBondContact O-N 3.46Å; R378-F381 PolarHBondContact O-N 3.4Å; Q379-F381 VanDerWaalsContact C-N 3.3Å; Q379-F381 PolarHBondContact O-N 3.26Å; F381-L383 VanDerWaalsContact C-N 3.32Å; F381-L383 PolarHBondContact O-N 2.84Å; F381-M384 WeakPolarHBondContact O-CA 3.35Å; F381-M384 WeakPolarHBondContact O-CB 3.46Å; F381-M384 PolarHBondContact O-N 3.09Å; F381-I385 HydrophobicContact CD1-CG1 3.9Å; F381-I385 HydrophobicContact CE1-CD1 3.9Å; F381-I385 HydrophobicContact CE1-CG1 3.58Å; F381-I385 HydrophobicContact CZ-CD1 3.86Å; F381-I385 HydrophobicContact CZ-CG1 4.02Å; F381-I385 WeakPolarHBondContact O-CG1 3.35Å; F381-I385 PolarHBondContact O-N 3.48Å |
| 382 | D | 87.1 | Confident | 82.6 | Confident | 75 Ų | 75 | 107 Ų | 107 | 40% | 0.401 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.7 | -45 | 178.6 | -68.6 | -21.8 | 0 | 0 | 0 | 110.5 | R378 Q379 M384 I385 E386 | R378-D382 WeakPolarHBondContact O-CB 3.26Å; R378-D382 PolarHBondContact O-N 3.22Å; Q379-D382 PolarHBondContact O-N 3.36Å; D382-M384 VanDerWaalsContact C-N 3.34Å; D382-M384 PolarHBondContact O-N 3.19Å; D382-I385 WeakPolarHBondContact O-CB 3.23Å; D382-I385 PolarHBondContact O-N 3.43Å; D382-E386 WeakPolarHBondContact O-CG 3.39Å; D382-E386 PolarHBondContact O-N 3.14Å |
| 383 | L | 86.6 | Confident | 82.4 | Confident | 95 Ų | 95 | 104.7 Ų | 104.7 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 173.6 | -73.4 | 170.7 | 0 | 0 | 0 | 112.7 | Q379 F381 R387 | Q379-L383 WeakPolarHBondContact O-CB 3.5Å; Q379-L383 VanDerWaalsContact O-CG 3.25Å; Q379-L383 WeakPolarHBondContact O-CG 3.47Å; Q379-L383 PolarHBondContact O-N 3.02Å; F381-L383 VanDerWaalsContact C-N 3.32Å; F381-L383 PolarHBondContact O-N 2.84Å; L383-R387 WeakPolarHBondContact O-CB 3.41Å; L383-R387 WeakPolarHBondContact O-CG 3.46Å; L383-R387 PolarHBondContact O-N 3.25Å |
| 384 | M | 85.4 | Confident | 81.9 | Confident | 104 Ų | 104 | 103.6 Ų | 103.6 | 51% | 0.512 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 175.4 | 178.2 | 176.4 | 165.5 | 0 | 0 | 111.2 | E380 F381 D382 R387 Q388 | E380-M384 WeakPolarHBondContact O-CB 3.32Å; E380-M384 PolarHBondContact O-N 3Å; F381-M384 WeakPolarHBondContact O-CA 3.35Å; F381-M384 WeakPolarHBondContact O-CB 3.46Å; F381-M384 PolarHBondContact O-N 3.09Å; D382-M384 VanDerWaalsContact C-N 3.34Å; D382-M384 PolarHBondContact O-N 3.19Å; M384-R387 PolarHBondContact O-N 3.48Å; M384-Q388 WeakPolarHBondContact O-CG 3.24Å; M384-Q388 PolarHBondContact O-N 2.89Å |
| 385 | I | 86.4 | Confident | 81.2 | Confident | 56 Ų | 56 | 108.6 Ų | 108.6 | 29% | 0.287 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.4 | -47.4 | 175.9 | -66.3 | -63.7 | 0 | 0 | 0 | 110.3 | F381 D382 R387 Q388 M389 | F381-I385 HydrophobicContact CD1-CG1 3.9Å; F381-I385 HydrophobicContact CE1-CD1 3.9Å; F381-I385 HydrophobicContact CE1-CG1 3.58Å; F381-I385 HydrophobicContact CZ-CD1 3.86Å; F381-I385 HydrophobicContact CZ-CG1 4.02Å; F381-I385 WeakPolarHBondContact O-CG1 3.35Å; F381-I385 PolarHBondContact O-N 3.48Å; D382-I385 WeakPolarHBondContact O-CB 3.23Å; D382-I385 PolarHBondContact O-N 3.43Å; I385-R387 VanDerWaalsContact C-N 3.34Å; I385-R387 PolarHBondContact O-N 2.92Å; I385-Q388 CarbonylContact O-C 3.58Å; I385-Q388 WeakPolarHBondContact O-CB 3.49Å; I385-Q388 PolarHBondContact O-N 3.47Å; I385-M389 HydrophobicContact CG2-CE 3.92Å; I385-M389 HydrophobicContact CG2-CG 4.26Å; I385-M389 HydrophobicContact CG2-SD 4.05Å; I385-M389 WeakPolarHBondContact O-CG 3.09Å; I385-M389 PolarHBondContact O-N 3.33Å |
| 386 | E | 86 | Confident | 80.3 | Confident | 118 Ų | 118 | 108.9 Ų | 108.9 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -56.5 | -46.6 | 176 | -74.3 | 173.6 | -176.5 | 0 | 0 | 111.6 | D382 Q388 M389 W390 | D382-E386 WeakPolarHBondContact O-CG 3.39Å; D382-E386 PolarHBondContact O-N 3.14Å; E386-Q388 VanDerWaalsContact C-N 3.28Å; E386-Q388 PolarHBondContact O-N 3.33Å; E386-M389 PolarHBondContact O-N 3.39Å; E386-W390 WeakPolarHBondContact O-CB 3.3Å; E386-W390 PolarHBondContact O-N 2.91Å |
| 387 | R | 85.4 | Confident | 79.1 | Confident | 179 Ų | 179 | 109.4 Ų | 109.4 | 68% | 0.675 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.4 | -34.8 | 175.1 | -76.9 | 179.8 | -176.7 | -174.2 | 2.2 | 113.2 | L383 M384 I385 R391 | L383-R387 WeakPolarHBondContact O-CB 3.41Å; L383-R387 WeakPolarHBondContact O-CG 3.46Å; L383-R387 PolarHBondContact O-N 3.25Å; M384-R387 PolarHBondContact O-N 3.48Å; I385-R387 VanDerWaalsContact C-N 3.34Å; I385-R387 PolarHBondContact O-N 2.92Å; R387-R391 PolarHBondContact O-N 3.06Å; R387-R391 PolarHBondContact O-NE 3.29Å |
| 388 | Q | 85.6 | Confident | 78 | Confident | 73 Ų | 73 | 110.8 Ų | 110.8 | 34% | 0.341 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.7 | -42.4 | 175.2 | -76.2 | -161.7 | -2.4 | 0 | 0 | 111.7 | M384 I385 E386 W390 R391 K392 | M384-Q388 WeakPolarHBondContact O-CG 3.24Å; M384-Q388 PolarHBondContact O-N 2.89Å; I385-Q388 CarbonylContact O-C 3.58Å; I385-Q388 WeakPolarHBondContact O-CB 3.49Å; I385-Q388 PolarHBondContact O-N 3.47Å; E386-Q388 VanDerWaalsContact C-N 3.28Å; E386-Q388 PolarHBondContact O-N 3.33Å; Q388-W390 VanDerWaalsContact C-N 3.35Å; Q388-R391 PolarHBondContact O-N 2.81Å; Q388-K392 WeakPolarHBondContact O-CG 3.26Å; Q388-K392 PolarHBondContact O-N 3.49Å |
| 389 | M | 82.9 | Confident | 76.3 | Confident | 124 Ų | 124 | 104.4 Ų | 104.4 | 61% | 0.611 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.6 | -46 | 176 | -73.4 | -175.3 | 164.9 | 0 | 0 | 110.9 | I385 E386 R391 K392 S393 | I385-M389 HydrophobicContact CG2-CE 3.92Å; I385-M389 HydrophobicContact CG2-CG 4.26Å; I385-M389 HydrophobicContact CG2-SD 4.05Å; I385-M389 WeakPolarHBondContact O-CG 3.09Å; I385-M389 PolarHBondContact O-N 3.33Å; E386-M389 PolarHBondContact O-N 3.39Å; M389-R391 PolarHBondContact O-N 3.24Å; M389-K392 PolarHBondContact O-N 2.83Å; M389-K392 VanDerWaalsContact O-N 3.16Å; M389-S393 PolarHBondContact O-N 3.37Å; M389-S393 PolarHBondContact O-OG 3.48Å |
| 390 | W | 80.6 | Confident | 74.8 | Confident | 156 Ų | 156 | 104.6 Ų | 104.6 | 59% | 0.591 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.4 | -43.2 | 176.5 | -176.2 | 81.7 | 0 | 0 | 0 | 112.7 | E386 Q388 K392 S393 Q394 | E386-W390 WeakPolarHBondContact O-CB 3.3Å; E386-W390 PolarHBondContact O-N 2.91Å; Q388-W390 VanDerWaalsContact C-N 3.35Å; W390-K392 PolarHBondContact O-N 3.19Å; W390-S393 WeakPolarHBondContact CA-OG 3.32Å; W390-S393 PolarHBondContact O-N 3.33Å; W390-S393 PolarHBondContact O-OG 3.35Å; W390-Q394 HydrophobicContact CD2-CG 4.25Å; W390-Q394 HydrophobicContact CH2-CG 4.43Å; W390-Q394 HydrophobicContact CZ2-CG 4.17Å; W390-Q394 WeakPolarHBondContact O-CB 3.31Å; W390-Q394 VanDerWaalsContact O-CG 3.26Å; W390-Q394 WeakPolarHBondContact O-CG 3.39Å; W390-Q394 PolarHBondContact O-N 3.26Å |
| 391 | R | 78.8 | Confident | 73.1 | Confident | 141 Ų | 141 | 105.8 Ų | 105.8 | 53% | 0.532 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 173.7 | -87.5 | -175 | -73.2 | 175.8 | -4.9 | 112.3 | R387 Q388 M389 Q394 L395 | R387-R391 PolarHBondContact O-N 3.06Å; R387-R391 PolarHBondContact O-NE 3.29Å; Q388-R391 PolarHBondContact O-N 2.81Å; M389-R391 PolarHBondContact O-N 3.24Å; R391-Q394 PolarHBondContact O-N 3.44Å; R391-L395 WeakPolarHBondContact O-CD1 3.31Å; R391-L395 PolarHBondContact O-N 3.36Å; R391-L395 VanDerWaalsContact O-N 3.08Å |
| 392 | K | 78 | Confident | 71.5 | Confident | 134 Ų | 134 | 106.1 Ų | 106.1 | 58% | 0.583 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66 | -39.3 | 178.5 | -73.4 | -177.9 | -178 | -176.9 | 0 | 112.2 | Q388 M389 W390 L395 Q396 | Q388-K392 WeakPolarHBondContact O-CG 3.26Å; Q388-K392 PolarHBondContact O-N 3.49Å; M389-K392 PolarHBondContact O-N 2.83Å; M389-K392 VanDerWaalsContact O-N 3.16Å; W390-K392 PolarHBondContact O-N 3.19Å; K392-L395 PolarHBondContact O-N 2.81Å; K392-Q396 WeakPolarHBondContact O-CG 3.37Å; K392-Q396 PolarHBondContact O-N 2.82Å |
| 393 | S | 72.7 | Confident | 69.8 | Low | 46 Ų | 46 | 110.8 Ų | 110.8 | 32% | 0.322 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.3 | -38.1 | 175.9 | 58.4 | 0 | 0 | 0 | 0 | 112.1 | M389 W390 L395 Q396 N397 | M389-S393 PolarHBondContact O-N 3.37Å; M389-S393 PolarHBondContact O-OG 3.48Å; W390-S393 WeakPolarHBondContact CA-OG 3.32Å; W390-S393 PolarHBondContact O-N 3.33Å; W390-S393 PolarHBondContact O-OG 3.35Å; S393-L395 PolarHBondContact O-N 3.15Å; S393-Q396 PolarHBondContact O-N 3.44Å; S393-N397 WeakPolarHBondContact O-CB 3.36Å; S393-N397 PolarHBondContact O-N 3.05Å; S393-N397 PolarHBondContact O-ND2 3.07Å |
| 394 | Q | 70.2 | Confident | 68 | Low | 99 Ų | 99 | 109.9 Ų | 109.9 | 46% | 0.463 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 174 | -73.8 | -117.8 | -22.5 | 0 | 0 | 112.2 | W390 R391 N397 T398 | W390-Q394 HydrophobicContact CD2-CG 4.25Å; W390-Q394 HydrophobicContact CH2-CG 4.43Å; W390-Q394 HydrophobicContact CZ2-CG 4.17Å; W390-Q394 WeakPolarHBondContact O-CB 3.31Å; W390-Q394 VanDerWaalsContact O-CG 3.26Å; W390-Q394 WeakPolarHBondContact O-CG 3.39Å; W390-Q394 PolarHBondContact O-N 3.26Å; R391-Q394 PolarHBondContact O-N 3.44Å; Q394-N397 PolarHBondContact O-N 3.04Å; Q394-T398 PolarHBondContact O-N 3.26Å; Q394-T398 PolarHBondContact O-OG1 2.92Å |
| 395 | L | 66.9 | Low | 66.2 | Low | 125 Ų | 125 | 111.5 Ų | 111.5 | 65% | 0.654 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.1 | -34.9 | 174.9 | -84.3 | 151 | 0 | 0 | 0 | 113 | R391 K392 S393 T398 G399 | R391-L395 WeakPolarHBondContact O-CD1 3.31Å; R391-L395 PolarHBondContact O-N 3.36Å; R391-L395 VanDerWaalsContact O-N 3.08Å; K392-L395 PolarHBondContact O-N 2.81Å; S393-L395 PolarHBondContact O-N 3.15Å; L395-T398 WeakPolarHBondContact CA-OG1 3.3Å; L395-T398 PolarHBondContact O-OG1 3.25Å; L395-G399 PolarHBondContact O-N 3.01Å; L395-G399 VanDerWaalsContact O-N 3.1Å |
| 396 | Q | 59 | Low | 64.4 | Low | 136 Ų | 136 | 113.6 Ų | 113.6 | 64% | 0.636 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -71.9 | -37 | 174.9 | -74.2 | 177.3 | -7.5 | 0 | 0 | 112.2 | K392 S393 G399 L400 | K392-Q396 WeakPolarHBondContact O-CG 3.37Å; K392-Q396 PolarHBondContact O-N 2.82Å; S393-Q396 PolarHBondContact O-N 3.44Å; Q396-G399 PolarHBondContact O-N 2.96Å; Q396-L400 PolarHBondContact O-N 3.3Å |
| 397 | N | 56.6 | Low | 62.6 | Low | 96 Ų | 96 | 115.1 Ų | 115.1 | 51% | 0.513 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.7 | -41.2 | 177.4 | -67.7 | -14.3 | 0 | 0 | 0 | 112 | S393 Q394 G399 L400 E401 | S393-N397 WeakPolarHBondContact O-CB 3.36Å; S393-N397 PolarHBondContact O-N 3.05Å; S393-N397 PolarHBondContact O-ND2 3.07Å; Q394-N397 PolarHBondContact O-N 3.04Å; N397-G399 VanDerWaalsContact C-N 3.32Å; N397-G399 PolarHBondContact O-N 3.29Å; N397-L400 PolarHBondContact O-N 2.94Å; N397-E401 PolarHBondContact O-N 3.01Å; N397-E401 VanDerWaalsContact O-N 3.1Å |
| 398 | T | 56.5 | Low | 60.3 | Low | 68 Ų | 68 | 116 Ų | 116 | 42% | 0.417 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.7 | -30.1 | 174.1 | 31.6 | 0 | 0 | 0 | 0 | 112.9 | Q394 L395 L400 L402 | Q394-T398 PolarHBondContact O-N 3.26Å; Q394-T398 PolarHBondContact O-OG1 2.92Å; L395-T398 WeakPolarHBondContact CA-OG1 3.3Å; L395-T398 PolarHBondContact O-OG1 3.25Å; T398-L400 VanDerWaalsContact C-N 3.32Å; T398-L402 WeakPolarHBondContact O-CG 3.46Å; T398-L402 PolarHBondContact O-N 3.29Å |
| 399 | G | 49.4 | Very low | 59.1 | Low | 30 Ų | 30 | 118.2 Ų | 118.2 | 31% | 0.309 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.7 | -34.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L395 Q396 N397 F403 | L395-G399 PolarHBondContact O-N 3.01Å; L395-G399 VanDerWaalsContact O-N 3.1Å; Q396-G399 PolarHBondContact O-N 2.96Å; N397-G399 VanDerWaalsContact C-N 3.32Å; N397-G399 PolarHBondContact O-N 3.29Å; G399-F403 WeakPolarHBondContact O-CD2 3.49Å |
| 400 | L | 50.8 | Low | 57.8 | Low | 121 Ų | 121 | 117.8 Ų | 117.8 | 63% | 0.634 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -77.7 | -35.5 | 177.7 | -77 | 163.1 | 0 | 0 | 0 | 112.8 | Q396 N397 T398 L402 F403 S404 | Q396-L400 PolarHBondContact O-N 3.3Å; N397-L400 PolarHBondContact O-N 2.94Å; T398-L400 VanDerWaalsContact C-N 3.32Å; L400-L402 VanDerWaalsContact C-N 3.32Å; L400-L402 PolarHBondContact O-N 3.01Å; L400-F403 PolarHBondContact O-N 3.02Å; L400-S404 PolarHBondContact O-N 3.01Å; L400-S404 PolarHBondContact O-OG 3.13Å |
| 401 | E | 47.8 | Very low | 56.5 | Low | 122 Ų | 122 | 115.7 Ų | 115.7 | 57% | 0.57 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.6 | -34.3 | 176.5 | -75.6 | 180 | 166.7 | 0 | 0 | 112.7 | N397 F403 S404 | N397-E401 PolarHBondContact O-N 3.01Å; N397-E401 VanDerWaalsContact O-N 3.1Å; E401-F403 PolarHBondContact O-N 3.01Å; E401-S404 WeakPolarHBondContact CA-OG 3.26Å; E401-S404 PolarHBondContact O-N 3.11Å; E401-S404 PolarHBondContact O-OG 3.43Å |
| 402 | L | 49.5 | Very low | 55.2 | Low | 131 Ų | 131 | 114.2 Ų | 114.2 | 69% | 0.686 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.2 | -17.5 | 177.1 | -72.7 | 168.7 | 0 | 0 | 0 | 114 | T398 L400 | T398-L402 WeakPolarHBondContact O-CG 3.46Å; T398-L402 PolarHBondContact O-N 3.29Å; L400-L402 VanDerWaalsContact C-N 3.32Å; L400-L402 PolarHBondContact O-N 3.01Å |
| 403 | F | 49.8 | Very low | 53.8 | Low | 172 Ų | 172 | 113 Ų | 113 | 75% | 0.754 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -95 | -16.3 | 174.5 | -72.7 | -70.3 | 0 | 0 | 0 | 113.4 | G399 L400 E401 | G399-F403 WeakPolarHBondContact O-CD2 3.49Å; L400-F403 PolarHBondContact O-N 3.02Å; E401-F403 PolarHBondContact O-N 3.01Å |
| 404 | S | 48.9 | Very low | 52.5 | Low | 76 Ų | 76 | 117.5 Ų | 117.5 | 53% | 0.531 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -83.2 | -22.2 | 176.3 | 46.1 | 0 | 0 | 0 | 0 | 113.8 | L400 E401 S406 | L400-S404 PolarHBondContact O-N 3.01Å; L400-S404 PolarHBondContact O-OG 3.13Å; E401-S404 WeakPolarHBondContact CA-OG 3.26Å; E401-S404 PolarHBondContact O-N 3.11Å; E401-S404 PolarHBondContact O-OG 3.43Å; S404-S406 VanDerWaalsContact C-N 3.33Å; S404-S406 PolarHBondContact O-N 2.65Å |
| 405 | D | 48.6 | Very low | 51.3 | Low | 139 Ų | 139 | 118.8 Ų | 118.8 | 74% | 0.743 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 4.3 | -175.3 | -74.4 | -3.8 | 0 | 0 | 0 | 114.6 | ||
| 406 | S | 47.5 | Very low | 50.1 | Low | 100 Ų | 100 | 118.3 Ų | 118.3 | 70% | 0.699 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 12.9 | -179.7 | -58.8 | 0 | 0 | 0 | 0 | 114.7 | S404 | S404-S406 VanDerWaalsContact C-N 3.33Å; S404-S406 PolarHBondContact O-N 2.65Å |
| 407 | I | 48.8 | Very low | 49.3 | Very low | 150 Ų | 150 | 116.8 Ų | 116.8 | 77% | 0.769 | 67% | 0.667 | S | S | * | * | trans | -128.9 | 84.6 | 174.2 | -50.6 | 176.7 | 0 | 0 | 0 | 108.9 | ||||
| 408 | S | 37.8 | Very low | 48.7 | Very low | 197 Ų | 197 | 118.7 Ų | 118.7 | 100% | 1.378 | 68% | 0.681 | S | S | * | * | trans | -151.8 | 0 | 156.3 | -78.6 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 408 of 408 residues in 85.5 ms
(Link to these results)