| 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 | 39.6 | Very low | 49.1 | Very low | 239 Ų | 239 | 185.8 Ų | 185.8 | 100% | 1.177 | 89% | 0.887 | S | S | * | * | 0 | 141.2 | 0 | -84 | 173.1 | 162.1 | 0 | 0 | 108.7 | |||||
| 2 | T | 48.3 | Very low | 49.6 | Very low | 139 Ų | 139 | 179.3 Ų | 179.3 | 85% | 0.853 | 87% | 0.871 | S | S | * | * | trans | 66.6 | 86.8 | 174.8 | 60.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 3 | V | 44.4 | Very low | 49.5 | Very low | 136 Ų | 136 | 179.1 Ų | 179.1 | 82% | 0.824 | 88% | 0.875 | S | S | * | * | trans | -64.8 | 141 | 148.1 | -97.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 4 | K | 53 | Low | 48.8 | Very low | 212 Ų | 212 | 171.6 Ų | 171.6 | 92% | 0.922 | 87% | 0.868 | S | S | * | * | trans | -122.2 | 104.5 | 160 | -79.7 | -178 | 177.5 | 177.1 | 0 | 108.3 | ||||
| 5 | T | 50.4 | Low | 48.3 | Very low | 133 Ų | 133 | 169.7 Ų | 169.7 | 82% | 0.816 | 87% | 0.874 | S | S | * | * | trans | -98.1 | 131.3 | 162.1 | 46.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 6 | D | 56.9 | Low | 48.6 | Very low | 161 Ų | 161 | 165.2 Ų | 165.2 | 86% | 0.861 | 87% | 0.87 | S | S | * | * | trans | -132 | 111.7 | 161.8 | -159.1 | 7 | 0 | 0 | 0 | 109.2 | ||||
| 7 | E | 45 | Very low | 48.2 | Very low | 171 Ų | 171 | 161.9 Ų | 161.9 | 80% | 0.799 | 87% | 0.872 | S | S | * | * | trans | -74.7 | 140.7 | 165 | -75.2 | 180 | 120.5 | 0 | 0 | 108.6 | ||||
| 8 | R | 50.2 | Low | 47.7 | Very low | 225 Ų | 225 | 156.9 Ų | 156.9 | 85% | 0.849 | 86% | 0.864 | S | S | * | * | 165.4 | 112.9 | 127.9 | -92.6 | -168 | -116.2 | -147.8 | 4 | 111 | |||||
| 9 | R | 49.7 | Very low | 47.8 | Very low | 240 Ų | 240 | 156.5 Ų | 156.5 | 91% | 0.906 | 87% | 0.866 | S | S | * | * | 174.5 | 116.1 | 105.3 | -91.8 | 177.2 | -168.6 | 137.9 | 2.6 | 109.9 | |||||
| 10 | K | 51 | Low | 47.2 | Very low | 206 Ų | 206 | 152 Ų | 152 | 90% | 0.896 | 86% | 0.858 | S | S | * | * | trans | -61.4 | 139.8 | 168.4 | -68.8 | 172.7 | 175.2 | 177.2 | 0 | 110.2 | ||||
| 11 | Q | 51.7 | Low | 47.3 | Very low | 182 Ų | 182 | 153.2 Ų | 153.2 | 85% | 0.85 | 86% | 0.861 | S | S | * | * | trans | -69 | 155.9 | 163.7 | -58.7 | -76.9 | -9.8 | 0 | 0 | 109.9 | ||||
| 12 | P | 55.1 | Low | 47.3 | Very low | 107 Ų | 107 | 146.6 Ų | 146.6 | 70% | 0.695 | 84% | 0.838 | S | S | * | * | -140.6 | 136.8 | 128.5 | 33.8 | -18.5 | 0 | 0 | 0 | 114.9 | |||||
| 13 | L | 48.6 | Very low | 47.3 | Very low | 177 Ų | 177 | 149.2 Ų | 149.2 | 93% | 0.927 | 84% | 0.838 | S | S | * | * | trans | 49.2 | 108 | 133.3 | -56.5 | 169.9 | 0 | 0 | 0 | 118.4 | ||||
| 14 | G | 39.5 | Very low | 47.2 | Very low | 75 Ų | 75 | 148.9 Ų | 148.9 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | trans | -167.3 | 62.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 15 | C | 40.8 | Very low | 46.4 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 97% | 0.966 | 83% | 0.827 | S | S | * | * | trans | -88 | 104.3 | 163.5 | -65.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 16 | A | 53.7 | Low | 45.9 | Very low | 97 Ų | 97 | 148.8 Ų | 148.8 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | trans | -134.8 | 114.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 17 | A | 40.9 | Very low | 44.7 | Very low | 110 Ų | 110 | 145.8 Ų | 145.8 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | trans | 15.3 | 109.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 18 | G | 39.3 | Very low | 44.3 | Very low | 71 Ų | 71 | 143.7 Ų | 143.7 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | trans | -122.6 | 113.3 | 151.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 19 | V | 50.5 | Low | 43.4 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 90% | 0.903 | 81% | 0.811 | S | S | * | * | trans | -177.8 | 100.2 | 132.8 | -91.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 20 | G | 36.2 | Very low | 42.7 | Very low | 67 Ų | 67 | 136.5 Ų | 136.5 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | trans | -75.3 | 147.5 | 146.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 21 | L | 47.7 | Very low | 42.1 | Very low | 177 Ų | 177 | 132.2 Ų | 132.2 | 93% | 0.927 | 80% | 0.796 | S | S | * | * | trans | 170.7 | 103.1 | 132.8 | -87 | 172.4 | 0 | 0 | 0 | 107.8 | ||||
| 22 | S | 41.3 | Very low | 41.3 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | -77 | 138.8 | 153.8 | 49 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 23 | K | 48 | Very low | 40.3 | Very low | 195 Ų | 195 | 135 Ų | 135 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | 165.4 | 113.3 | 142.9 | -88.5 | 158.3 | -169.7 | -175.4 | 0 | 111.4 | ||||
| 24 | T | 41.3 | Very low | 39.8 | Very low | 129 Ų | 129 | 132 Ų | 132 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | 28.1 | 120.4 | 125.5 | -44 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 25 | S | 36.7 | Very low | 39.9 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 25.6 | 134.9 | 148.5 | 74.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 26 | R | 40 | Very low | 40 | Very low | 238 Ų | 238 | 136.6 Ų | 136.6 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | -178.4 | 102.2 | 142.7 | -95 | 172.2 | -144.1 | -163.1 | 4.1 | 106.1 | ||||
| 27 | S | 31.9 | Very low | 39.1 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | 74.8 | 131.9 | 77.1 | 84.7 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 28 | I | 35.4 | Very low | 39 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 65% | 0.646 | 78% | 0.783 | S | S | * | * | trans | 77.8 | 109.2 | 154 | -11.4 | -177.1 | 0 | 0 | 0 | 119.2 | ||||
| 29 | F | 33 | Very low | 38.9 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | 174.1 | 152.2 | 89.9 | -99.6 | -75.8 | 0 | 0 | 0 | 112.1 | |||||
| 30 | N | 35 | Very low | 37.8 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | 89 | 125.5 | 171.4 | -47.8 | -20.7 | 0 | 0 | 0 | 115.7 | ||||
| 31 | T | 37.5 | Very low | 38.1 | Very low | 116 Ų | 116 | 141 Ų | 141 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | cis | -168.3 | 131.9 | -8.2 | 24.3 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 32 | E | 34.7 | Very low | 38 | Very low | 175 Ų | 175 | 139.8 Ų | 139.8 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 40.7 | 96.7 | 144.6 | -58.9 | 177.8 | -173.8 | 0 | 0 | 118.6 | ||||
| 33 | N | 34.7 | Very low | 37.9 | Very low | 172 Ų | 172 | 144 Ų | 144 | 92% | 0.92 | 78% | 0.78 | S | S | * | * | trans | 169.1 | 81.1 | 131.1 | -86.1 | -26.4 | 0 | 0 | 0 | 108.3 | ||||
| 34 | S | 37.1 | Very low | 37.4 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -129.6 | 110.5 | 173.1 | 171.3 | 0 | 0 | 0 | 0 | 108.3 | I36 | S34-I36 PolarHBondContact O-N 3.45Š| ||
| 35 | L | 42.2 | Very low | 36.8 | Very low | 169 Ų | 169 | 144.8 Ų | 144.8 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | trans | -55.9 | 130.8 | 172.4 | -71.3 | 167.6 | 0 | 0 | 0 | 111.1 | ||||
| 36 | I | 42.1 | Very low | 36.6 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | trans | -62.2 | 120.1 | 157.6 | -37.4 | 173.3 | 0 | 0 | 0 | 105.1 | S34 | S34-I36 PolarHBondContact O-N 3.45Š| ||
| 37 | C | 35 | Very low | 36.5 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | -176.3 | 114.3 | 91 | -73.7 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 38 | L | 39.7 | Very low | 36.5 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | 64.8 | 115.9 | 91.9 | -81.5 | 171.6 | 0 | 0 | 0 | 116.7 | |||||
| 39 | L | 37.9 | Very low | 36.7 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | 81.7 | 103.2 | 145.7 | -71.5 | 146.1 | 0 | 0 | 0 | 119.4 | ||||
| 40 | G | 27 | Very low | 37.2 | Very low | 72 Ų | 72 | 137.1 Ų | 137.1 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -89.3 | 149.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 41 | S | 42 | Very low | 37.3 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -154.7 | 108.2 | 160.8 | -76.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 42 | I | 44.8 | Very low | 37.3 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | 58.7 | 111.5 | 95.5 | -58.6 | 172.4 | 0 | 0 | 0 | 112.9 | |||||
| 43 | K | 39.2 | Very low | 37.6 | Very low | 189 Ų | 189 | 140 Ų | 140 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -67.5 | 131.9 | 176 | -68.6 | 172 | 177.8 | 179.4 | 0 | 110.6 | ||||
| 44 | H | 37.6 | Very low | 37.7 | Very low | 171 Ų | 171 | 142.3 Ų | 142.3 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | -121.3 | 137.7 | 157.5 | -87.3 | -89.5 | 0 | 0 | 0 | 110.1 | ||||
| 45 | H | 29.6 | Very low | 37.7 | Very low | 168 Ų | 168 | 143.8 Ų | 143.8 | 78% | 0.778 | 79% | 0.79 | S | S | * | * | trans | -94.3 | 137.3 | 174.4 | -1.2 | -86.4 | 0 | 0 | 0 | 107.7 | ||||
| 46 | G | 33 | Very low | 37.5 | Very low | 74 Ų | 74 | 141.8 Ų | 141.8 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | trans | 169.1 | 99.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 47 | S | 36.1 | Very low | 37.3 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | 46.7 | 142.1 | 140.7 | -151.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 48 | G | 33.5 | Very low | 37.6 | Very low | 57 Ų | 57 | 142.5 Ų | 142.5 | 59% | 0.588 | 78% | 0.778 | S | S | * | * | trans | -74.2 | 159.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 49 | D | 39 | Very low | 37.7 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | -173.8 | 157.5 | 98.4 | -88.4 | -27 | 0 | 0 | 0 | 111.5 | |||||
| 50 | N | 42.5 | Very low | 37.6 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | -80.2 | 143.4 | -163.1 | -59.1 | -75.1 | 0 | 0 | 0 | 115.5 | ||||
| 51 | I | 38.7 | Very low | 38 | Very low | 164 Ų | 164 | 145.6 Ų | 145.6 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | trans | -145.6 | 102.7 | 143.2 | -59.2 | -175.1 | 0 | 0 | 0 | 111.7 | ||||
| 52 | I | 36.6 | Very low | 37.9 | Very low | 136 Ų | 136 | 146.6 Ų | 146.6 | 70% | 0.697 | 78% | 0.776 | S | S | * | * | trans | 31.3 | 114.4 | 133.5 | -48.4 | 171.5 | 0 | 0 | 0 | 118.9 | ||||
| 53 | H | 41.2 | Very low | 37.8 | Very low | 194 Ų | 194 | 143.5 Ų | 143.5 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | -138.5 | 127.8 | 134.9 | -109.7 | -79.4 | 0 | 0 | 0 | 111.6 | ||||
| 54 | R | 36.2 | Very low | 38 | Very low | 219 Ų | 219 | 140.4 Ų | 140.4 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | trans | -55 | 149.9 | 178.2 | -65.4 | 166.1 | 172.3 | 159.1 | -3.6 | 113 | ||||
| 55 | N | 37.9 | Very low | 38.5 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | -177.7 | 153.6 | 86.3 | -150.3 | -0.5 | 0 | 0 | 0 | 112.9 | |||||
| 56 | N | 38.1 | Very low | 39.5 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 67% | 0.674 | 76% | 0.758 | S | S | * | * | trans | -96.9 | 177.3 | -161.9 | -61.5 | -38.8 | 0 | 0 | 0 | 114.6 | ||||
| 57 | N | 38.7 | Very low | 40.1 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | 88.9 | 142.1 | 147.3 | -57.9 | -27.3 | 0 | 0 | 0 | 115.9 | ||||
| 58 | N | 40.5 | Very low | 40.9 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | cis | -170.6 | 145.2 | -8.5 | 179.5 | 13.2 | 0 | 0 | 0 | 104.4 | N60 | N58-N60 PolarHBondContact ND2-OD1 2.93Å; N58-N60 PolarHBondContact O-N 2.88Å | ||
| 59 | K | 42.1 | Very low | 41.9 | Very low | 204 Ų | 204 | 142.1 Ų | 142.1 | 89% | 0.887 | 76% | 0.757 | S | S | * | * | trans | -73.1 | 93.9 | 173.4 | -67.1 | 170.1 | -178.1 | 170.1 | 0 | 107.9 | ||||
| 60 | N | 35.8 | Very low | 42.7 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 58% | 0.578 | 75% | 0.747 | S | S | * | * | trans | -103 | 103.1 | 169.3 | -81.2 | -0.5 | 0 | 0 | 0 | 109.4 | N58 I62 | N58-N60 PolarHBondContact ND2-OD1 2.93Å; N58-N60 PolarHBondContact O-N 2.88Å; N60-I62 HydrophobicContact CB-CD1 3.85Å; N60-I62 HydrophobicContact CB-CG1 4.19Å; N60-I62 PolarHBondContact O-N 3.45Å; N60-I62 VanDerWaalsContact O-N 3.12Å | ||
| 61 | S | 35.6 | Very low | 43.4 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 90% | 0.895 | 74% | 0.737 | S | S | * | * | trans | -59.8 | 102.3 | 155.4 | 49.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 62 | I | 40 | Very low | 44.5 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 65% | 0.651 | 72% | 0.717 | S | S | * | * | trans | -109.6 | 129.3 | 173.8 | -77.1 | 154.7 | 0 | 0 | 0 | 107.3 | N60 | N60-I62 HydrophobicContact CB-CD1 3.85Å; N60-I62 HydrophobicContact CB-CG1 4.19Å; N60-I62 PolarHBondContact O-N 3.45Å; N60-I62 VanDerWaalsContact O-N 3.12Å | ||
| 63 | S | 42.4 | Very low | 45.7 | Very low | 86 Ų | 86 | 130.5 Ų | 130.5 | 60% | 0.601 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 152.1 | 176.5 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | N65 | S63-N65 PolarHBondContact O-N 3.48Å; S63-N65 VanDerWaalsContact O-N 3.15Å |
| 64 | P | 43 | Very low | 46.5 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 81% | 0.805 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 119.3 | 177.5 | 28.9 | -31 | 0 | 0 | 0 | 109.3 | ||
| 65 | N | 47.3 | Very low | 47.6 | Very low | 106 Ų | 106 | 121 Ų | 121 | 57% | 0.567 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 136.7 | 169.6 | -70.6 | -43.2 | 0 | 0 | 0 | 109 | S63 D67 T68 | S63-N65 PolarHBondContact O-N 3.48Å; S63-N65 VanDerWaalsContact O-N 3.15Å; N65-D67 PolarHBondContact O-N 3.28Å; N65-T68 PolarHBondContact O-OG1 2.93Å |
| 66 | P | 51.9 | Low | 48.8 | Very low | 125 Ų | 125 | 121.3 Ų | 121.3 | 81% | 0.812 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 0.9 | -179.6 | 28.5 | -33.8 | 0 | 0 | 0 | 114.4 | ||
| 67 | D | 44.8 | Very low | 49.7 | Very low | 141 Ų | 141 | 117.7 Ų | 117.7 | 75% | 0.754 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 15.8 | -175.8 | -59.1 | -34.2 | 0 | 0 | 0 | 114.2 | N65 L69 | N65-D67 PolarHBondContact O-N 3.28Å; D67-L69 PolarHBondContact O-N 2.86Å |
| 68 | T | 52.1 | Low | 50.7 | Low | 115 Ų | 115 | 116.1 Ų | 116.1 | 71% | 0.706 | 65% | 0.647 | S | S | * | * | trans | -76.3 | 95.4 | 174.3 | -40.4 | 0 | 0 | 0 | 0 | 108.8 | N65 | N65-T68 PolarHBondContact O-OG1 2.93Š| ||
| 69 | L | 56.3 | Low | 51.9 | Low | 148 Ų | 148 | 115 Ų | 115 | 78% | 0.775 | 65% | 0.648 | S | S | * | * | trans | -46.5 | 138.8 | 171.2 | -70.7 | 169.9 | 0 | 0 | 0 | 109.7 | D67 N71 | D67-L69 PolarHBondContact O-N 2.86Å; L69-N71 PolarHBondContact O-N 3.47Å | ||
| 70 | P | 55.1 | Low | 53.2 | Low | 108 Ų | 108 | 109.2 Ų | 109.2 | 70% | 0.701 | 63% | 0.627 | S | S | * | * | trans | -55.8 | 135.1 | -179.9 | 24.5 | -32.8 | 0 | 0 | 0 | 108 | S72 | P70-S72 PolarHBondContact O-N 3.16Š| ||
| 71 | N | 57.1 | Low | 55.4 | Low | 112 Ų | 112 | 108.4 Ų | 108.4 | 60% | 0.599 | 63% | 0.628 | S | S | * | * | trans | -56.1 | 81 | 176.8 | -99 | -28.9 | 0 | 0 | 0 | 110.1 | L69 | L69-N71 PolarHBondContact O-N 3.47Š| ||
| 72 | S | 61.5 | Low | 57.7 | Low | 60 Ų | 60 | 108.2 Ų | 108.2 | 42% | 0.42 | 61% | 0.613 | S | S | . | * | trans | -63.4 | 143.4 | 179.7 | 169 | 0 | 0 | 0 | 0 | 107.9 | P70 F74 T75 R76 | P70-S72 PolarHBondContact O-N 3.16Å; S72-F74 PolarHBondContact O-N 3.48Å; S72-F74 PolarHBondContact OG-N 2.77Å; S72-T75 PolarHBondContact N-OG1 2.96Å; S72-T75 PolarHBondContact O-N 2.82Å; S72-T75 PolarHBondContact O-OG1 3.44Å; S72-R76 PolarHBondContact O-N 3.11Å | ||
| 73 | S | 62.5 | Low | 59.7 | Low | 95 Ų | 95 | 104.9 Ų | 104.9 | 66% | 0.664 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -51.5 | -25.3 | 173 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | T77 | S73-T77 WeakPolarHBondContact O-CG2 3.5Å; S73-T77 PolarHBondContact O-OG1 2.78Å |
| 74 | F | 57.2 | Low | 61.7 | Low | 145 Ų | 145 | 102.2 Ų | 102.2 | 64% | 0.636 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -73 | -39.4 | 176 | -169.2 | -102.5 | 0 | 0 | 0 | 113.6 | S72 T77 I78 | S72-F74 PolarHBondContact O-N 3.48Å; S72-F74 PolarHBondContact OG-N 2.77Å; F74-T77 PolarHBondContact O-OG1 2.89Å; F74-I78 HydrophobicContact CD1-CD1 3.92Å; F74-I78 HydrophobicContact CE1-CD1 3.53Å; F74-I78 HydrophobicContact CZ-CD1 3.96Å; F74-I78 WeakPolarHBondContact O-CG1 3.34Å |
| 75 | T | 60.7 | Low | 63.9 | Low | 69 Ų | 69 | 101.4 Ų | 101.4 | 42% | 0.423 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -76.3 | -34 | 179.9 | 49.1 | 0 | 0 | 0 | 0 | 112.3 | S72 T77 I78 S79 | S72-T75 PolarHBondContact N-OG1 2.96Å; S72-T75 PolarHBondContact O-N 2.82Å; S72-T75 PolarHBondContact O-OG1 3.44Å; T75-T77 VanDerWaalsContact C-N 3.27Å; T75-T77 PolarHBondContact O-N 3.46Å; T75-I78 PolarHBondContact O-N 2.79Å; T75-S79 PolarHBondContact O-N 3.42Å; T75-S79 PolarHBondContact O-OG 3.29Å |
| 76 | R | 61.7 | Low | 65.9 | Low | 153 Ų | 153 | 101.2 Ų | 101.2 | 58% | 0.577 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.7 | -30.2 | 175.5 | -68.8 | -173.9 | -164.8 | -118 | 3.7 | 113.7 | S72 S79 | S72-R76 PolarHBondContact O-N 3.11Å; R76-S79 PolarHBondContact O-OG 3.42Å; R76-S79 VanDerWaalsContact O-OG 3.07Å |
| 77 | T | 56.4 | Low | 67.7 | Low | 50 Ų | 50 | 99.7 Ų | 99.7 | 31% | 0.307 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -81.9 | -23.7 | -178.1 | 43.2 | 0 | 0 | 0 | 0 | 113 | S73 F74 T75 A84 | S73-T77 WeakPolarHBondContact O-CG2 3.5Å; S73-T77 PolarHBondContact O-OG1 2.78Å; F74-T77 PolarHBondContact O-OG1 2.89Å; T75-T77 VanDerWaalsContact C-N 3.27Å; T75-T77 PolarHBondContact O-N 3.46Å; T77-A84 HydrophobicContact CG2-CB 3.86Å |
| 78 | I | 60.2 | Low | 70 | Confident | 116 Ų | 116 | 100.2 Ų | 100.2 | 60% | 0.595 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -80.3 | -37.4 | 175.1 | -63.4 | 168.2 | 0 | 0 | 0 | 111.2 | F74 T75 D80 | F74-I78 HydrophobicContact CD1-CD1 3.92Å; F74-I78 HydrophobicContact CE1-CD1 3.53Å; F74-I78 HydrophobicContact CZ-CD1 3.96Å; F74-I78 WeakPolarHBondContact O-CG1 3.34Å; T75-I78 PolarHBondContact O-N 2.79Å; I78-D80 PolarHBondContact O-N 2.92Å |
| 79 | S | 66.1 | Low | 71.9 | Confident | 94 Ų | 94 | 102.5 Ų | 102.5 | 66% | 0.657 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -69.7 | -18.8 | 178.4 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | T75 R76 | T75-S79 PolarHBondContact O-N 3.42Å; T75-S79 PolarHBondContact O-OG 3.29Å; R76-S79 PolarHBondContact O-OG 3.42Å; R76-S79 VanDerWaalsContact O-OG 3.07Å |
| 80 | D | 70.4 | Confident | 73.6 | Confident | 84 Ų | 84 | 100.9 Ų | 100.9 | 45% | 0.449 | 53% | 0.526 | S | S | . | . | trans | -152.7 | 78.4 | -173.5 | -145.1 | 12.2 | 0 | 0 | 0 | 112 | I78 E82 T83 | I78-D80 PolarHBondContact O-N 2.92Å; D80-E82 PolarHBondContact O-N 3.43Å; D80-T83 PolarHBondContact O-N 2.81Å; D80-T83 PolarHBondContact OD2-OG1 2.99Å | ||
| 81 | P | 80.5 | Confident | 75.4 | Confident | 90 Ų | 90 | 104 Ų | 104 | 58% | 0.584 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67 | -25.7 | -170.1 | 27.1 | -35.5 | 0 | 0 | 0 | 113.2 | A84 M85 | P81-A84 PolarHBondContact O-N 2.99Å; P81-M85 PolarHBondContact O-N 2.94Å |
| 82 | E | 83.7 | Confident | 77.1 | Confident | 125 Ų | 125 | 103 Ų | 103 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.9 | -41.5 | 177.9 | -178.5 | 158.8 | -175 | 0 | 0 | 111.2 | D80 A84 M85 Q86 | D80-E82 PolarHBondContact O-N 3.43Å; E82-A84 VanDerWaalsContact C-N 3.29Å; E82-A84 PolarHBondContact O-N 2.97Å; E82-M85 PolarHBondContact O-N 3.25Å; E82-Q86 HydrophobicContact CG-CG 4.34Å; E82-Q86 WeakPolarHBondContact O-CB 3.46Å; E82-Q86 VanDerWaalsContact O-CG 3.29Å; E82-Q86 WeakPolarHBondContact O-CG 3.47Å; E82-Q86 PolarHBondContact O-N 3.37Å; E82-Q86 PolarHBondContact OE1-NE2 2.85Å |
| 83 | T | 83.6 | Confident | 78.6 | Confident | 56 Ų | 56 | 106 Ų | 106 | 34% | 0.344 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.4 | -37.7 | 176.2 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | D80 Q86 Q87 | D80-T83 PolarHBondContact O-N 2.81Å; D80-T83 PolarHBondContact OD2-OG1 2.99Å; T83-Q86 PolarHBondContact O-N 3.35Å; T83-Q87 WeakPolarHBondContact O-CG 3.42Å; T83-Q87 PolarHBondContact O-N 3.24Å |
| 84 | A | 84 | Confident | 80 | Confident | 31 Ų | 31 | 106.3 Ų | 106.3 | 26% | 0.256 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T77 P81 E82 Q87 K88 | T77-A84 HydrophobicContact CG2-CB 3.86Å; P81-A84 PolarHBondContact O-N 2.99Å; E82-A84 VanDerWaalsContact C-N 3.29Å; E82-A84 PolarHBondContact O-N 2.97Å; A84-Q87 PolarHBondContact O-N 3.3Å; A84-K88 PolarHBondContact O-N 3.04Å |
| 85 | M | 89.8 | Confident | 81.7 | Confident | 107 Ų | 107 | 102.3 Ų | 102.3 | 53% | 0.527 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 175.2 | -94.8 | -141.3 | -70.3 | 0 | 0 | 112.4 | P81 E82 K88 R89 | P81-M85 PolarHBondContact O-N 2.94Å; E82-M85 PolarHBondContact O-N 3.25Å; M85-K88 PolarHBondContact O-N 3.33Å; M85-R89 WeakPolarHBondContact O-CG 3.43Å; M85-R89 PolarHBondContact O-N 3.33Å |
| 86 | Q | 88.7 | Confident | 83.2 | Confident | 102 Ų | 102 | 105.1 Ų | 105.1 | 48% | 0.477 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | 176.2 | -73.7 | 178.7 | 11.9 | 0 | 0 | 111 | E82 T83 K88 R89 Q90 | E82-Q86 HydrophobicContact CG-CG 4.34Å; E82-Q86 WeakPolarHBondContact O-CB 3.46Å; E82-Q86 VanDerWaalsContact O-CG 3.29Å; E82-Q86 WeakPolarHBondContact O-CG 3.47Å; E82-Q86 PolarHBondContact O-N 3.37Å; E82-Q86 PolarHBondContact OE1-NE2 2.85Å; T83-Q86 PolarHBondContact O-N 3.35Å; Q86-K88 VanDerWaalsContact C-N 3.3Å; Q86-K88 PolarHBondContact O-N 2.6Å; Q86-R89 PolarHBondContact O-N 3.05Å; Q86-Q90 WeakPolarHBondContact O-CB 3.23Å; Q86-Q90 PolarHBondContact O-N 3.38Å |
| 87 | Q | 89.9 | Confident | 84.7 | Confident | 92 Ų | 92 | 103.2 Ų | 103.2 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.5 | -40 | 173.7 | -75.2 | -178 | 12.1 | 0 | 0 | 112.2 | T83 A84 Q90 R91 | T83-Q87 WeakPolarHBondContact O-CG 3.42Å; T83-Q87 PolarHBondContact O-N 3.24Å; A84-Q87 PolarHBondContact O-N 3.3Å; Q87-Q90 PolarHBondContact O-N 3.28Å; Q87-R91 WeakPolarHBondContact O-CB 3.5Å; Q87-R91 WeakPolarHBondContact O-CG 3.36Å; Q87-R91 PolarHBondContact O-N 2.93Å |
| 88 | K | 91.7 | Very high | 86.2 | Confident | 153 Ų | 153 | 105.3 Ų | 105.3 | 67% | 0.665 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64 | -44.9 | 176 | -174.1 | 176.6 | -178.7 | 178.5 | 0 | 112 | A84 M85 Q86 Q90 R91 T92 | A84-K88 PolarHBondContact O-N 3.04Å; M85-K88 PolarHBondContact O-N 3.33Å; Q86-K88 VanDerWaalsContact C-N 3.3Å; Q86-K88 PolarHBondContact O-N 2.6Å; K88-Q90 VanDerWaalsContact C-N 3.35Å; K88-R91 PolarHBondContact O-N 3.26Å; K88-T92 WeakPolarHBondContact O-CB 3.41Å; K88-T92 PolarHBondContact O-N 3.15Å; K88-T92 PolarHBondContact O-OG1 2.76Å |
| 89 | R | 92.1 | Very high | 87.4 | Confident | 163 Ų | 163 | 105 Ų | 105 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.2 | -46.4 | 175.2 | -72.6 | 175.8 | -175.2 | 179.8 | 3.3 | 110.7 | M85 Q86 T92 L93 | M85-R89 WeakPolarHBondContact O-CG 3.43Å; M85-R89 PolarHBondContact O-N 3.33Å; Q86-R89 PolarHBondContact O-N 3.05Å; R89-T92 PolarHBondContact O-N 3.25Å; R89-L93 PolarHBondContact O-N 3.29Å |
| 90 | Q | 93.6 | Very high | 88 | Confident | 113 Ų | 113 | 106 Ų | 106 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.7 | -48.4 | 179 | -174 | 171.4 | 1.4 | 0 | 0 | 111.6 | Q86 Q87 K88 T92 L93 E94 | Q86-Q90 WeakPolarHBondContact O-CB 3.23Å; Q86-Q90 PolarHBondContact O-N 3.38Å; Q87-Q90 PolarHBondContact O-N 3.28Å; K88-Q90 VanDerWaalsContact C-N 3.35Å; Q90-T92 VanDerWaalsContact C-N 3.27Å; Q90-T92 PolarHBondContact O-N 2.75Å; Q90-L93 PolarHBondContact O-N 3.24Å; Q90-E94 HydrophobicContact CG-CG 4.45Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.27Å; Q90-E94 PolarHBondContact NE2-OE1 3.23Å; Q90-E94 WeakPolarHBondContact O-CB 3.35Å; Q90-E94 WeakPolarHBondContact O-CG 3.41Å; Q90-E94 PolarHBondContact O-N 3Å |
| 91 | R | 91.6 | Very high | 88.5 | Confident | 174 Ų | 174 | 106.5 Ų | 106.5 | 66% | 0.657 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.6 | -37.3 | 175.2 | -77.3 | -179.2 | 178.8 | 165.9 | 2 | 113 | Q87 K88 A95 | Q87-R91 WeakPolarHBondContact O-CB 3.5Å; Q87-R91 WeakPolarHBondContact O-CG 3.36Å; Q87-R91 PolarHBondContact O-N 2.93Å; K88-R91 PolarHBondContact O-N 3.26Å; R91-A95 VanDerWaalsContact O-CB 3.23Å; R91-A95 WeakPolarHBondContact O-CB 3.4Å; R91-A95 PolarHBondContact O-N 2.89Å |
| 92 | T | 92.6 | Very high | 88 | Confident | 90 Ų | 90 | 109.6 Ų | 109.6 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68 | -42.9 | 178.3 | -53.1 | 0 | 0 | 0 | 0 | 111.2 | K88 R89 Q90 K96 | K88-T92 WeakPolarHBondContact O-CB 3.41Å; K88-T92 PolarHBondContact O-N 3.15Å; K88-T92 PolarHBondContact O-OG1 2.76Å; R89-T92 PolarHBondContact O-N 3.25Å; Q90-T92 VanDerWaalsContact C-N 3.27Å; Q90-T92 PolarHBondContact O-N 2.75Å; T92-K96 WeakPolarHBondContact O-CB 3.5Å; T92-K96 PolarHBondContact O-N 3.37Å |
| 93 | L | 94.6 | Very high | 87 | Confident | 125 Ų | 125 | 109.5 Ų | 109.5 | 65% | 0.654 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.6 | -43.5 | 175.9 | -72.4 | 177.6 | 0 | 0 | 0 | 111.7 | R89 Q90 K96 F97 | R89-L93 PolarHBondContact O-N 3.29Å; Q90-L93 PolarHBondContact O-N 3.24Å; L93-K96 PolarHBondContact O-N 3.28Å; L93-F97 WeakPolarHBondContact O-CB 3.38Å; L93-F97 PolarHBondContact O-N 2.86Å |
| 94 | E | 91.6 | Very high | 85.4 | Confident | 101 Ų | 101 | 113.6 Ų | 113.6 | 47% | 0.472 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 177.1 | -74 | 176.2 | -174.1 | 0 | 0 | 111.6 | Q90 K96 F97 M98 | Q90-E94 HydrophobicContact CG-CG 4.45Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.27Å; Q90-E94 PolarHBondContact NE2-OE1 3.23Å; Q90-E94 WeakPolarHBondContact O-CB 3.35Å; Q90-E94 WeakPolarHBondContact O-CG 3.41Å; Q90-E94 PolarHBondContact O-N 3Å; E94-K96 VanDerWaalsContact C-N 3.34Å; E94-K96 PolarHBondContact O-N 2.98Å; E94-F97 PolarHBondContact O-N 3.4Å; E94-M98 VanDerWaalsContact O-CG 3.32Å; E94-M98 WeakPolarHBondContact O-CG 3.38Å; E94-M98 PolarHBondContact O-N 3.14Å |
| 95 | A | 92.1 | Very high | 84.2 | Confident | 61 Ų | 61 | 119.5 Ų | 119.5 | 50% | 0.504 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.2 | -40.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | R91 M98 Q99 | R91-A95 VanDerWaalsContact O-CB 3.23Å; R91-A95 WeakPolarHBondContact O-CB 3.4Å; R91-A95 PolarHBondContact O-N 2.89Å; A95-M98 PolarHBondContact O-N 3.48Å; A95-Q99 VanDerWaalsContact O-CB 3.28Å; A95-Q99 WeakPolarHBondContact O-CB 3.23Å; A95-Q99 PolarHBondContact O-N 2.81Å |
| 96 | K | 92.1 | Very high | 81.9 | Confident | 127 Ų | 127 | 122.6 Ų | 122.6 | 55% | 0.552 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.2 | -36.9 | 176.3 | -167.4 | 172.7 | -175.8 | 174.4 | 0 | 112.1 | T92 L93 E94 Q99 M100 | T92-K96 WeakPolarHBondContact O-CB 3.5Å; T92-K96 PolarHBondContact O-N 3.37Å; L93-K96 PolarHBondContact O-N 3.28Å; E94-K96 VanDerWaalsContact C-N 3.34Å; E94-K96 PolarHBondContact O-N 2.98Å; K96-Q99 PolarHBondContact O-N 3.44Å; K96-M100 WeakPolarHBondContact O-CG 3.04Å; K96-M100 PolarHBondContact O-N 3.38Å |
| 97 | F | 92.7 | Very high | 79.5 | Confident | 113 Ų | 113 | 120.8 Ų | 120.8 | 50% | 0.496 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.2 | -44.4 | 174.5 | -175.5 | -106.3 | 0 | 0 | 0 | 111.6 | L93 E94 Q99 M100 L101 | L93-F97 WeakPolarHBondContact O-CB 3.38Å; L93-F97 PolarHBondContact O-N 2.86Å; E94-F97 PolarHBondContact O-N 3.4Å; F97-Q99 VanDerWaalsContact C-N 3.34Å; F97-Q99 PolarHBondContact O-N 3.18Å; F97-M100 HydrophobicContact CB-CE 4.49Å; F97-M100 HydrophobicContact CD2-CE 4.09Å; F97-M100 PolarHBondContact O-N 3.37Å; F97-L101 HydrophobicContact CD1-CD1 3.93Å; F97-L101 HydrophobicContact CE1-CD1 3.48Å; F97-L101 VanDerWaalsContact CE1-CD1 3.48Å; F97-L101 HydrophobicContact CE1-CG 4.26Å; F97-L101 HydrophobicContact CZ-CD1 3.98Å; F97-L101 HydrophobicContact CZ-CG 4.4Å; F97-L101 WeakPolarHBondContact O-CG 3.19Å; F97-L101 PolarHBondContact O-N 3.26Å; F97-L101 VanDerWaalsContact O-N 3.08Å |
| 98 | M | 87.9 | Confident | 76.9 | Confident | 95 Ų | 95 | 122.5 Ų | 122.5 | 47% | 0.468 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.3 | -41.1 | 173.5 | -68.7 | -63.6 | 145.1 | 0 | 0 | 111.6 | E94 A95 M100 L101 H102 | E94-M98 VanDerWaalsContact O-CG 3.32Å; E94-M98 WeakPolarHBondContact O-CG 3.38Å; E94-M98 PolarHBondContact O-N 3.14Å; A95-M98 PolarHBondContact O-N 3.48Å; M98-M100 VanDerWaalsContact C-N 3.35Å; M98-M100 PolarHBondContact O-N 3.25Å; M98-L101 HydrophobicContact CE-CD1 4.4Å; M98-L101 PolarHBondContact O-N 3.48Å; M98-L101 HydrophobicContact SD-CD1 4.35Å; M98-H102 PolarHBondContact O-CD2 2.94Å; M98-H102 PolarHBondContact O-N 3.01Å |
| 99 | Q | 86.1 | Confident | 74.2 | Confident | 109 Ų | 109 | 118.1 Ų | 118.1 | 51% | 0.509 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -55.9 | -49.3 | 174.6 | 179 | 173.3 | 30.8 | 0 | 0 | 111.1 | A95 K96 F97 L101 H102 H103 | A95-Q99 VanDerWaalsContact O-CB 3.28Å; A95-Q99 WeakPolarHBondContact O-CB 3.23Å; A95-Q99 PolarHBondContact O-N 2.81Å; K96-Q99 PolarHBondContact O-N 3.44Å; F97-Q99 VanDerWaalsContact C-N 3.34Å; F97-Q99 PolarHBondContact O-N 3.18Å; Q99-L101 VanDerWaalsContact C-N 3.26Å; Q99-L101 PolarHBondContact O-N 3.06Å; Q99-H102 PolarHBondContact O-N 3.07Å; Q99-H103 WeakPolarHBondContact CG-NE2 3.28Å; Q99-H103 PolarHBondContact O-CD2 2.63Å; Q99-H103 VanDerWaalsContact O-CG 3.25Å; Q99-H103 PolarHBondContact O-N 3.34Å; Q99-H103 PolarHBondContact O-NE2 3.21Å |
| 100 | M | 79.2 | Confident | 71.4 | Confident | 115 Ų | 115 | 115.4 Ų | 115.4 | 57% | 0.567 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -59.8 | -34.4 | 175.7 | -69.8 | -176.1 | -61.8 | 0 | 0 | 113 | K96 F97 M98 | K96-M100 WeakPolarHBondContact O-CG 3.04Å; K96-M100 PolarHBondContact O-N 3.38Å; F97-M100 HydrophobicContact CB-CE 4.49Å; F97-M100 HydrophobicContact CD2-CE 4.09Å; F97-M100 PolarHBondContact O-N 3.37Å; M98-M100 VanDerWaalsContact C-N 3.35Å; M98-M100 PolarHBondContact O-N 3.25Å |
| 101 | L | 80.8 | Confident | 68.5 | Low | 95 Ų | 95 | 119 Ų | 119 | 50% | 0.497 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -76.5 | -25.2 | 177.1 | -69.3 | 177.4 | 0 | 0 | 0 | 114.1 | F97 M98 Q99 H103 | F97-L101 HydrophobicContact CD1-CD1 3.93Å; F97-L101 HydrophobicContact CE1-CD1 3.48Å; F97-L101 VanDerWaalsContact CE1-CD1 3.48Å; F97-L101 HydrophobicContact CE1-CG 4.26Å; F97-L101 HydrophobicContact CZ-CD1 3.98Å; F97-L101 HydrophobicContact CZ-CG 4.4Å; F97-L101 WeakPolarHBondContact O-CG 3.19Å; F97-L101 PolarHBondContact O-N 3.26Å; F97-L101 VanDerWaalsContact O-N 3.08Å; M98-L101 HydrophobicContact CE-CD1 4.4Å; M98-L101 PolarHBondContact O-N 3.48Å; M98-L101 HydrophobicContact SD-CD1 4.35Å; Q99-L101 VanDerWaalsContact C-N 3.26Å; Q99-L101 PolarHBondContact O-N 3.06Å; L101-H103 VanDerWaalsContact C-N 3.3Å |
| 102 | H | 69.3 | Low | 65.8 | Low | 154 Ų | 154 | 117.3 Ų | 117.3 | 71% | 0.713 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -83.3 | -7.8 | 175.2 | -77.8 | -75.2 | 0 | 0 | 0 | 113 | M98 Q99 D104 | M98-H102 PolarHBondContact O-CD2 2.94Å; M98-H102 PolarHBondContact O-N 3.01Å; Q99-H102 PolarHBondContact O-N 3.07Å; H102-D104 VanDerWaalsContact C-N 3.31Å; H102-D104 PolarHBondContact O-N 3.12Å |
| 103 | H | 63.2 | Low | 63.3 | Low | 124 Ų | 124 | 119.6 Ų | 119.6 | 57% | 0.574 | 64% | 0.641 | S | S | * | * | trans | -93.7 | 54.4 | 175.5 | -61.4 | -43.4 | 0 | 0 | 0 | 111.8 | Q99 L101 | Q99-H103 WeakPolarHBondContact CG-NE2 3.28Å; Q99-H103 PolarHBondContact O-CD2 2.63Å; Q99-H103 VanDerWaalsContact O-CG 3.25Å; Q99-H103 PolarHBondContact O-N 3.34Å; Q99-H103 PolarHBondContact O-NE2 3.21Å; L101-H103 VanDerWaalsContact C-N 3.3Å | ||
| 104 | D | 50 | Low | 60.2 | Low | 141 Ų | 141 | 119.3 Ų | 119.3 | 75% | 0.754 | 64% | 0.637 | S | S | * | * | trans | -115.2 | 116.3 | 161.4 | -79.7 | -30.7 | 0 | 0 | 0 | 109.7 | H102 | H102-D104 VanDerWaalsContact C-N 3.31Å; H102-D104 PolarHBondContact O-N 3.12Å | ||
| 105 | N | 57.8 | Low | 57.9 | Low | 156 Ų | 156 | 119 Ų | 119 | 83% | 0.834 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 92.5 | 86.4 | 155.1 | -135.8 | -9.8 | 0 | 0 | 0 | 117.9 | ||
| 106 | I | 42.8 | Very low | 55.6 | Low | 172 Ų | 172 | 121 Ų | 121 | 88% | 0.882 | 65% | 0.652 | S | S | * | * | S | Bend | -169 | 128.8 | 127.5 | -90.1 | 146.7 | 0 | 0 | 0 | 108.1 | |||
| 107 | G | 38 | Very low | 52.8 | Low | 64 Ų | 64 | 123.1 Ų | 123.1 | 66% | 0.66 | 66% | 0.664 | S | S | * | * | trans | 106.5 | 112 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G109 | G107-G109 PolarHBondContact O-N 2.86Š| ||
| 108 | S | 36 | Very low | 50.5 | Low | 128 Ų | 128 | 122.4 Ų | 122.4 | 90% | 0.895 | 67% | 0.668 | S | S | * | * | trans | -46.7 | 71 | 157.7 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 109 | G | 34.5 | Very low | 48 | Very low | 61 Ų | 61 | 125.4 Ų | 125.4 | 63% | 0.629 | 68% | 0.681 | S | S | * | * | trans | -107 | 69.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 105.6 | G107 F111 | G107-G109 PolarHBondContact O-N 2.86Å; G109-F111 PolarHBondContact O-N 3.36Å | ||
| 110 | T | 32 | Very low | 45.7 | Very low | 105 Ų | 105 | 130 Ų | 130 | 64% | 0.644 | 70% | 0.695 | S | S | * | * | trans | -52.1 | 102.8 | 156.3 | 48.6 | 0 | 0 | 0 | 0 | 104.6 | K112 | T110-K112 PolarHBondContact O-N 2.86Å; T110-K112 WeakPolarHBondContact OG1-CG 3.49Å | ||
| 111 | F | 34 | Very low | 43.7 | Very low | 189 Ų | 189 | 131.8 Ų | 131.8 | 83% | 0.829 | 71% | 0.706 | S | S | * | * | trans | -60.7 | 80.2 | 147.5 | -111.6 | -89.2 | 0 | 0 | 0 | 103.6 | G109 N113 | G109-F111 PolarHBondContact O-N 3.36Å; F111-N113 PolarHBondContact O-N 3.33Å | ||
| 112 | K | 33.7 | Very low | 41.4 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 60% | 0.604 | 72% | 0.715 | S | S | * | * | trans | -62.3 | 86 | 155.6 | -58.9 | -166.6 | -178.9 | -171.6 | 0 | 102.7 | T110 E114 | T110-K112 PolarHBondContact O-N 2.86Å; T110-K112 WeakPolarHBondContact OG1-CG 3.49Å; K112-E114 VanDerWaalsContact CA-N 3.31Å; K112-E114 HydrophobicContact CB-CB 4.09Å; K112-E114 PolarHBondContact O-N 3.22Å | ||
| 113 | N | 41 | Very low | 40 | Very low | 137 Ų | 137 | 129.9 Ų | 129.9 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | -65 | 69.7 | 128.6 | -54.1 | -61.6 | 0 | 0 | 0 | 104.3 | F111 P115 | F111-N113 PolarHBondContact O-N 3.33Å; N113-P115 VanDerWaalsContact C-N 3.29Å; N113-P115 WeakPolarHBondContact O-CD 3.41Å | |||
| 114 | E | 29.9 | Very low | 38.6 | Very low | 119 Ų | 119 | 132 Ų | 132 | 56% | 0.556 | 73% | 0.733 | S | S | * | * | trans | -64 | 108.9 | 152.5 | -139.5 | 169.1 | -171.4 | 0 | 0 | 100.3 | K112 | K112-E114 VanDerWaalsContact CA-N 3.31Å; K112-E114 HydrophobicContact CB-CB 4.09Å; K112-E114 PolarHBondContact O-N 3.22Å | ||
| 115 | P | 43.8 | Very low | 38.4 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 62% | 0.623 | 73% | 0.731 | S | S | * | * | trans | -52.2 | 136.9 | 157.9 | 28.4 | -30.2 | 0 | 0 | 0 | 103.9 | N113 E117 | N113-P115 VanDerWaalsContact C-N 3.29Å; N113-P115 WeakPolarHBondContact O-CD 3.41Å; P115-E117 PolarHBondContact O-N 3.06Å; P115-E117 VanDerWaalsContact O-N 3.12Å | ||
| 116 | P | 43.2 | Very low | 37.4 | Very low | 102 Ų | 102 | 132 Ų | 132 | 66% | 0.662 | 72% | 0.721 | S | S | * | * | trans | -45 | 135.1 | 171.7 | 20.3 | -31.2 | 0 | 0 | 0 | 106.5 | V118 | P116-V118 WeakPolarHBondContact O-CG2 3.32Å; P116-V118 PolarHBondContact O-N 3.28Å | ||
| 117 | E | 33.1 | Very low | 37.2 | Very low | 172 Ų | 172 | 127.5 Ų | 127.5 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | trans | -58.6 | 74.9 | 163.6 | -85.7 | -176.8 | 148.1 | 0 | 0 | 106.9 | P115 E119 | P115-E117 PolarHBondContact O-N 3.06Å; P115-E117 VanDerWaalsContact O-N 3.12Å; E117-E119 PolarHBondContact O-N 3.31Å | ||
| 118 | V | 44.9 | Very low | 37.4 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 59% | 0.594 | 70% | 0.696 | S | S | * | * | trans | -67.4 | 92.8 | 146.3 | -90.7 | 0 | 0 | 0 | 0 | 102.5 | P116 Y120 | P116-V118 WeakPolarHBondContact O-CG2 3.32Å; P116-V118 PolarHBondContact O-N 3.28Å; V118-Y120 WeakPolarHBondContact O-CD2 3.41Å; V118-Y120 PolarHBondContact O-N 3.42Å | ||
| 119 | E | 34.4 | Very low | 37.8 | Very low | 158 Ų | 158 | 127.3 Ų | 127.3 | 74% | 0.738 | 68% | 0.678 | S | S | * | * | trans | -39.1 | 110.4 | 160.6 | -67 | -171.9 | 162.8 | 0 | 0 | 106.5 | E117 L121 | E117-E119 PolarHBondContact O-N 3.31Å; E119-L121 PolarHBondContact O-N 2.82Å | ||
| 120 | Y | 38.3 | Very low | 38.1 | Very low | 206 Ų | 206 | 132 Ų | 132 | 81% | 0.808 | 69% | 0.689 | S | S | * | * | trans | -68.5 | 75.9 | 169.7 | -87.7 | -102.2 | 0 | 0 | 0 | 105.7 | V118 G122 | V118-Y120 WeakPolarHBondContact O-CD2 3.41Å; V118-Y120 PolarHBondContact O-N 3.42Å; Y120-G122 PolarHBondContact O-N 3.48Å | ||
| 121 | L | 36.8 | Very low | 38.4 | Very low | 151 Ų | 151 | 129 Ų | 129 | 79% | 0.791 | 67% | 0.672 | S | S | * | * | trans | -65.4 | 110.7 | 172.9 | -150.9 | 75.4 | 0 | 0 | 0 | 105.5 | E119 D123 | E119-L121 PolarHBondContact O-N 2.82Å; L121-D123 PolarHBondContact O-N 3.47Å | ||
| 122 | G | 33.1 | Very low | 38.7 | Very low | 66 Ų | 66 | 127 Ų | 127 | 68% | 0.68 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -53.7 | 108 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y120 | Y120-G122 PolarHBondContact O-N 3.48Š|
| 123 | D | 38.8 | Very low | 39.2 | Very low | 143 Ų | 143 | 123.7 Ų | 123.7 | 77% | 0.765 | 67% | 0.667 | S | S | * | * | trans | -161.2 | 122.7 | 140.6 | -88.3 | -29.8 | 0 | 0 | 0 | 107.6 | L121 I125 | L121-D123 PolarHBondContact O-N 3.47Å; D123-I125 PolarHBondContact O-N 3.06Å | ||
| 124 | N | 34.9 | Very low | 39.4 | Very low | 169 Ų | 169 | 121.5 Ų | 121.5 | 90% | 0.904 | 66% | 0.655 | S | S | * | * | trans | -65 | 68.5 | -174 | -77.5 | -74.4 | 0 | 0 | 0 | 112.8 | ||||
| 125 | I | 45.4 | Very low | 40.1 | Very low | 139 Ų | 139 | 123.8 Ų | 123.8 | 71% | 0.713 | 66% | 0.663 | S | S | * | * | trans | -126.8 | 43.9 | 168.1 | -42.7 | -178.1 | 0 | 0 | 0 | 110.5 | D123 P127 | D123-I125 PolarHBondContact O-N 3.06Å; I125-P127 VanDerWaalsContact CA-CD 3.47Å | ||
| 126 | Y | 36.5 | Very low | 40.1 | Very low | 159 Ų | 159 | 127 Ų | 127 | 62% | 0.624 | 67% | 0.67 | S | S | * | * | trans | -108.8 | 53.3 | 152.3 | -71.1 | -76.3 | 0 | 0 | 0 | 112.3 | I129 | Y126-I129 HydrophobicContact CD1-CD1 4.06Š| ||
| 127 | P | 38.3 | Very low | 40.3 | Very low | 76 Ų | 76 | 128.7 Ų | 128.7 | 49% | 0.494 | 67% | 0.668 | S | S | . | * | trans | -81.8 | 140.5 | 160.7 | 34.9 | -30.8 | 0 | 0 | 0 | 107.9 | I125 I129 | I125-P127 VanDerWaalsContact CA-CD 3.47Å; P127-I129 PolarHBondContact O-N 3.11Å | ||
| 128 | V | 42.8 | Very low | 41 | Very low | 87 Ų | 87 | 122.5 Ų | 122.5 | 53% | 0.527 | 65% | 0.651 | S | S | . | * | trans | 80 | 26.9 | 147.3 | 166.3 | 0 | 0 | 0 | 0 | 116.1 | S131 | V128-S131 WeakPolarHBondContact CG1-OG 3.49Å; V128-S131 PolarHBondContact O-OG 3.44Å | ||
| 129 | I | 44 | Very low | 41.2 | Very low | 101 Ų | 101 | 125.2 Ų | 125.2 | 52% | 0.518 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.6 | -20.3 | 162.7 | 37.9 | 172.6 | 0 | 0 | 0 | 113.5 | Y126 P127 | Y126-I129 HydrophobicContact CD1-CD1 4.06Å; P127-I129 PolarHBondContact O-N 3.11Å |
| 130 | N | 41.2 | Very low | 42 | Very low | 159 Ų | 159 | 126.1 Ų | 126.1 | 85% | 0.85 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | 21.1 | 167.9 | -67 | -16.3 | 0 | 0 | 0 | 112.7 | ||
| 131 | S | 37.3 | Very low | 42.8 | Very low | 43 Ų | 43 | 118.5 Ų | 118.5 | 30% | 0.301 | 64% | 0.643 | S | S | . | * | trans | -68.6 | 140.7 | 173.1 | 70.7 | 0 | 0 | 0 | 0 | 110.2 | V128 A133 L134 | V128-S131 WeakPolarHBondContact CG1-OG 3.49Å; V128-S131 PolarHBondContact O-OG 3.44Å; S131-A133 PolarHBondContact O-N 3.42Å; S131-L134 PolarHBondContact O-N 2.92Å | ||
| 132 | I | 40.9 | Very low | 43.8 | Very low | 148 Ų | 148 | 117.9 Ų | 117.9 | 76% | 0.759 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 9.4 | -177.4 | -62.8 | 144.4 | 0 | 0 | 0 | 112.8 | ||
| 133 | A | 44 | Very low | 44.9 | Very low | 69 Ų | 69 | 118.7 Ų | 118.7 | 57% | 0.57 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 12.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S131 K135 | S131-A133 PolarHBondContact O-N 3.42Å; A133-K135 PolarHBondContact O-N 3.44Å |
| 134 | L | 46.6 | Very low | 45.7 | Very low | 90 Ų | 90 | 114.3 Ų | 114.3 | 47% | 0.471 | 65% | 0.648 | S | S | . | * | trans | -70.3 | 66.8 | 150.2 | -96 | 158.9 | 0 | 0 | 0 | 108.6 | S131 | S131-L134 PolarHBondContact O-N 2.92Š| ||
| 135 | K | 42.9 | Very low | 47 | Very low | 168 Ų | 168 | 112 Ų | 112 | 73% | 0.73 | 64% | 0.64 | S | S | * | * | trans | -96.4 | 120.3 | -179.2 | -144.1 | 157.3 | -177.6 | 179.6 | 0 | 106.5 | A133 | A133-K135 PolarHBondContact O-N 3.44Š| ||
| 136 | Q | 44.7 | Very low | 48 | Very low | 163 Ų | 163 | 107.6 Ų | 107.6 | 76% | 0.762 | 62% | 0.62 | S | S | * | * | trans | 89.8 | 56 | 166.7 | -44.5 | -171.9 | 20.8 | 0 | 0 | 118.5 | ||||
| 137 | H | 48 | Very low | 49.7 | Very low | 137 Ų | 137 | 111.1 Ų | 111.1 | 63% | 0.634 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -124.4 | 102.6 | 141.7 | -67.1 | -71.3 | 0 | 0 | 0 | 107.2 | L148 | H137-L148 HydrophobicContact CB-CD2 4.21Š|
| 138 | G | 47 | Very low | 51.6 | Low | 42 Ų | 42 | 110.3 Ų | 110.3 | 43% | 0.433 | 62% | 0.623 | S | S | . | * | S | Bend | trans | 83.2 | 107.1 | -165.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R140 | G138-R140 PolarHBondContact O-N 3.25Å; G138-R140 VanDerWaalsContact O-N 3.09Å |
| 139 | N | 50.1 | Low | 53.7 | Low | 155 Ų | 155 | 116.7 Ų | 116.7 | 83% | 0.829 | 64% | 0.638 | S | S | * | * | trans | -59 | 115.1 | 170.8 | -169.6 | 3.5 | 0 | 0 | 0 | 107.9 | G141 | N139-G141 PolarHBondContact O-N 3.44Š| ||
| 140 | R | 51.5 | Low | 56 | Low | 178 Ų | 178 | 113.1 Ų | 113.1 | 67% | 0.672 | 62% | 0.624 | S | S | * | * | trans | -70.2 | 78.9 | 168.2 | -78.6 | -174.2 | -94.5 | 168.5 | -7.3 | 107 | G138 V146 | G138-R140 PolarHBondContact O-N 3.25Å; G138-R140 VanDerWaalsContact O-N 3.09Å; R140-V146 HydrophobicContact CG-CG2 3.94Å | ||
| 141 | G | 55 | Low | 58.5 | Low | 46 Ų | 46 | 109.5 Ų | 109.5 | 47% | 0.474 | 60% | 0.6 | S | S | . | * | trans | -58.3 | 175.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | N139 G143 | N139-G141 PolarHBondContact O-N 3.44Å; G141-G143 PolarHBondContact O-N 3.3Å | ||
| 142 | S | 56.4 | Low | 61.2 | Low | 137 Ų | 137 | 112.5 Ų | 112.5 | 96% | 0.958 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -61 | 97.2 | 178.6 | -169.8 | 0 | 0 | 0 | 0 | 111 | G144 | S142-G144 PolarHBondContact O-N 3.01Š|
| 143 | G | 56.6 | Low | 63.6 | Low | 84 Ų | 84 | 110.6 Ų | 110.6 | 87% | 0.866 | 60% | 0.599 | S | S | * | * | S | Bend | trans | 76.5 | 9.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | G141 | G141-G143 PolarHBondContact O-N 3.3Š|
| 144 | G | 56.5 | Low | 65.9 | Low | 51 Ų | 51 | 113.9 Ų | 113.9 | 53% | 0.526 | 60% | 0.602 | S | S | . | * | trans | -89 | 136.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | S142 V146 | S142-G144 PolarHBondContact O-N 3.01Å; G144-V146 PolarHBondContact O-N 3.43Å | ||
| 145 | T | 62 | Low | 67.9 | Low | 119 Ų | 119 | 111.8 Ų | 111.8 | 73% | 0.73 | 59% | 0.59 | S | S | * | * | trans | -53.4 | 120.8 | 171.3 | -49.9 | 0 | 0 | 0 | 0 | 110.4 | W147 | T145-W147 PolarHBondContact O-N 2.88Š| ||
| 146 | V | 66.2 | Low | 70.2 | Confident | 47 Ų | 47 | 110.9 Ų | 110.9 | 29% | 0.285 | 60% | 0.598 | S | S | . | * | trans | -80.1 | 101.6 | 178.1 | -172.2 | 0 | 0 | 0 | 0 | 108.9 | R140 G144 L148 | R140-V146 HydrophobicContact CG-CG2 3.94Å; G144-V146 PolarHBondContact O-N 3.43Å; V146-L148 HydrophobicContact CB-CD1 4.2Å; V146-L148 HydrophobicContact CG1-CD1 3.86Å; V146-L148 HydrophobicContact CG1-CD2 4.49Å; V146-L148 HydrophobicContact CG1-CG 3.94Å; V146-L148 WeakPolarHBondContact O-CD1 3.44Å; V146-L148 PolarHBondContact O-N 2.87Å | ||
| 147 | W | 71.2 | Confident | 72.3 | Confident | 234 Ų | 234 | 111.2 Ų | 111.2 | 89% | 0.886 | 60% | 0.599 | S | S | * | * | trans | -71.6 | 108.7 | 169.8 | -63.8 | 85.3 | 0 | 0 | 0 | 108.9 | T145 | T145-W147 PolarHBondContact O-N 2.88Š| ||
| 148 | L | 79.5 | Confident | 74.2 | Confident | 58 Ų | 58 | 107.4 Ų | 107.4 | 30% | 0.304 | 58% | 0.584 | S | S | . | * | trans | -95.3 | 127.9 | 177.8 | -73.6 | 125.9 | 0 | 0 | 0 | 109.6 | H137 V146 A150 T166 | H137-L148 HydrophobicContact CB-CD2 4.21Å; V146-L148 HydrophobicContact CB-CD1 4.2Å; V146-L148 HydrophobicContact CG1-CD1 3.86Å; V146-L148 HydrophobicContact CG1-CD2 4.49Å; V146-L148 HydrophobicContact CG1-CG 3.94Å; V146-L148 WeakPolarHBondContact O-CD1 3.44Å; V146-L148 PolarHBondContact O-N 2.87Å; L148-A150 PolarHBondContact O-N 3.45Å; L148-A150 VanDerWaalsContact O-N 3.14Å; L148-T166 HydrophobicContact CB-CG2 3.94Å | ||
| 149 | R | 86.5 | Confident | 76.1 | Confident | 221 Ų | 221 | 112 Ų | 112 | 83% | 0.834 | 59% | 0.589 | S | S | * | * | trans | -66.2 | 113.2 | 176.5 | -177.6 | 177.2 | 171 | -174.5 | -0.7 | 109.4 | ||||
| 150 | A | 92.3 | Very high | 78 | Confident | 27 Ų | 27 | 106.5 Ų | 106.5 | 22% | 0.223 | 56% | 0.556 | C | S | . | * | trans | -73.6 | 157.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L148 Y164 G165 | L148-A150 PolarHBondContact O-N 3.45Å; L148-A150 VanDerWaalsContact O-N 3.14Å; A150-Y164 HydrophobicContact CB-CD1 4.42Å; A150-Y164 HydrophobicContact CB-CD2 4.31Å; A150-Y164 HydrophobicContact CB-CE1 3.83Å; A150-Y164 HydrophobicContact CB-CE2 3.69Å; A150-Y164 VanDerWaalsContact CB-CZ 3.43Å; A150-G165 CarbonylContact C-O 3.55Å; A150-G165 WeakPolarHBondContact CA-O 3.45Å | ||
| 151 | K | 92.8 | Very high | 79.8 | Confident | 83 Ų | 83 | 101.8 Ų | 101.8 | 36% | 0.361 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 140.6 | 178.3 | -67.9 | -177.2 | 168.3 | -170.4 | 0 | 108.3 | Y164 G165 W167 | K151-Y164 WeakPolarHBondContact O-CA 3.29Å; K151-G165 PolarHBondContact N-O 3.18Å; K151-G165 PolarHBondContact O-N 2.84Å; K151-W167 HydrophobicContact CB-CZ2 4.06Å; K151-W167 HydrophobicContact CD-CD2 3.37Å; K151-W167 HydrophobicContact CD-CE3 3.42Å; K151-W167 VanDerWaalsContact CD-CE3 3.42Å; K151-W167 HydrophobicContact CD-CG 4.05Å; K151-W167 HydrophobicContact CD-CH2 3.69Å; K151-W167 HydrophobicContact CD-CZ2 3.67Å; K151-W167 HydrophobicContact CD-CZ3 3.59Å |
| 152 | L | 94.6 | Very high | 81.5 | Confident | 105 Ų | 105 | 101.7 Ų | 101.7 | 55% | 0.55 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 133 | 172.3 | -174.1 | 65.7 | 0 | 0 | 0 | 108.8 | A162 H163 Y164 | L152-A162 HydrophobicContact CD1-CB 3.89Å; L152-H163 CarbonylContact C-O 3.59Å; L152-H163 WeakPolarHBondContact CA-O 3.4Å; L152-Y164 HydrophobicContact CB-CD2 4.17Å; L152-Y164 HydrophobicContact CD1-CD2 4.19Å |
| 153 | F | 91 | Very high | 83.2 | Confident | 108 Ų | 108 | 99.9 Ų | 99.9 | 47% | 0.474 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 108.3 | 170.9 | -175.9 | -125.8 | 0 | 0 | 0 | 107.4 | F155 A162 H163 | F153-F155 AromaticContact CD1-CE1 3.99Å; F153-F155 HydrophobicContact CD1-CE1 3.99Å; F153-F155 HydrophobicContact CD1-CE2 4.06Å; F153-F155 AromaticContact CD1-CZ 3.42Å; F153-F155 HydrophobicContact CD1-CZ 3.42Å; F153-F155 VanDerWaalsContact CD1-CZ 3.42Å; F153-F155 HydrophobicContact CE1-CD1 4.42Å; F153-F155 AromaticContact CE1-CE1 3.24Å; F153-F155 HydrophobicContact CE1-CE1 3.24Å; F153-F155 HydrophobicContact CE1-CE2 4.09Å; F153-F155 AromaticContact CE1-CZ 3.03Å; F153-F155 HydrophobicContact CE1-CZ 3.03Å; F153-F155 HydrophobicContact CE2-CE1 4.35Å; F153-F155 HydrophobicContact CG-CZ 4.44Å; F153-F155 HydrophobicContact CZ-CD1 4.37Å; F153-F155 AromaticContact CZ-CE1 3.42Å; F153-F155 HydrophobicContact CZ-CE1 3.42Å; F153-F155 VanDerWaalsContact CZ-CE1 3.42Å; F153-F155 AromaticContact CZ-CZ 3.76Å; F153-F155 HydrophobicContact CZ-CZ 3.76Å; F153-A162 CarbonylContact O-C 3.55Å; F153-A162 WeakPolarHBondContact O-CA 3.49Å; F153-H163 HydrophobicContact CB-CB 4.47Å; F153-H163 PolarHBondContact N-O 3.21Å; F153-H163 PolarHBondContact O-N 3.03Å |
| 154 | Q | 92.8 | Very high | 85 | Confident | 139 Ų | 139 | 103.9 Ų | 103.9 | 65% | 0.65 | 51% | 0.51 | S | S | * | . | trans | -122.8 | 143.1 | -177.1 | -179.3 | 174.6 | 16.1 | 0 | 0 | 108.7 | A162 | Q154-A162 HydrophobicContact CB-CB 3.79Å; Q154-A162 HydrophobicContact CG-CB 3.96Å | ||
| 155 | F | 89.3 | Confident | 86.7 | Confident | 46 Ų | 46 | 102.2 Ų | 102.2 | 20% | 0.202 | 49% | 0.493 | C | S | . | . | trans | -97.4 | 146.8 | 179.3 | -53 | -83.9 | 0 | 0 | 0 | 109.6 | F153 N158 R160 | F153-F155 AromaticContact CD1-CE1 3.99Å; F153-F155 HydrophobicContact CD1-CE1 3.99Å; F153-F155 HydrophobicContact CD1-CE2 4.06Å; F153-F155 AromaticContact CD1-CZ 3.42Å; F153-F155 HydrophobicContact CD1-CZ 3.42Å; F153-F155 VanDerWaalsContact CD1-CZ 3.42Å; F153-F155 HydrophobicContact CE1-CD1 4.42Å; F153-F155 AromaticContact CE1-CE1 3.24Å; F153-F155 HydrophobicContact CE1-CE1 3.24Å; F153-F155 HydrophobicContact CE1-CE2 4.09Å; F153-F155 AromaticContact CE1-CZ 3.03Å; F153-F155 HydrophobicContact CE1-CZ 3.03Å; F153-F155 HydrophobicContact CE2-CE1 4.35Å; F153-F155 HydrophobicContact CG-CZ 4.44Å; F153-F155 HydrophobicContact CZ-CD1 4.37Å; F153-F155 AromaticContact CZ-CE1 3.42Å; F153-F155 HydrophobicContact CZ-CE1 3.42Å; F153-F155 VanDerWaalsContact CZ-CE1 3.42Å; F153-F155 AromaticContact CZ-CZ 3.76Å; F153-F155 HydrophobicContact CZ-CZ 3.76Å; F155-N158 HydrophobicContact CB-CB 3.81Å; F155-N158 HydrophobicContact CG-CB 4.29Å; F155-R160 VanDerWaalsContact CD1-CZ 3.45Å; F155-R160 HydrophobicContact CD2-CG 3.41Å; F155-R160 VanDerWaalsContact CD2-CG 3.41Å; F155-R160 VanDerWaalsContact CD2-NE 3.28Å; F155-R160 HydrophobicContact CE2-CG 3.59Å; F155-R160 HydrophobicContact CG-CG 4.21Å; F155-R160 HydrophobicContact CZ-CG 4.47Å; F155-R160 VanDerWaalsContact CZ-CZ 3.44Å | ||
| 156 | V | 90.8 | Very high | 87.9 | Confident | 148 Ų | 148 | 99 Ų | 99 | 90% | 0.897 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -85 | -39.3 | 178.8 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 157 | E | 88 | Confident | 88.9 | Confident | 171 Ų | 171 | 104.1 Ų | 104.1 | 80% | 0.799 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -106.5 | -15.4 | -169.9 | -64.7 | 173.4 | -177 | 0 | 0 | 113.3 | ||
| 158 | N | 88.1 | Confident | 89.5 | Confident | 57 Ų | 57 | 99 Ų | 99 | 31% | 0.305 | 47% | 0.468 | S | S | . | . | trans | -102.3 | 140 | -174.3 | -71.4 | -54.4 | 0 | 0 | 0 | 112.5 | F155 R160 D194 | F155-N158 HydrophobicContact CB-CB 3.81Å; F155-N158 HydrophobicContact CG-CB 4.29Å; N158-R160 HydrophobicContact CB-CG 4.22Å; N158-R160 PolarHBondContact ND2-NH1 2.91Å; N158-R160 PolarHBondContact ND2-NH2 2.89Å; N158-R160 PolarHBondContact O-N 2.87Å; N158-D194 PolarHBondContact ND2-OD2 3.01Å; N158-D194 PolarHBondContact OD1-OD2 3.18Å | ||
| 159 | Y | 86.8 | Confident | 89.7 | Confident | 139 Ų | 139 | 105.2 Ų | 105.2 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | trans | -72.9 | -10 | 178.9 | -51.5 | -75.5 | 0 | 0 | 0 | 113.7 | E199 | Y159-E199 HydrophobicContact CD1-CB 3.8Å; Y159-E199 HydrophobicContact CD1-CG 3.78Å; Y159-E199 HydrophobicContact CE1-CB 3.82Å; Y159-E199 HydrophobicContact CE1-CG 3.63Å; Y159-E199 HydrophobicContact CG-CB 4.21Å | ||
| 160 | R | 89.6 | Confident | 89.6 | Confident | 39 Ų | 39 | 102.8 Ų | 102.8 | 15% | 0.147 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -61.8 | 139.9 | 178.9 | 74.9 | 176.9 | 163.1 | -78.3 | 11.9 | 111.9 | F155 N158 D194 W197 | F155-R160 VanDerWaalsContact CD1-CZ 3.45Å; F155-R160 HydrophobicContact CD2-CG 3.41Å; F155-R160 VanDerWaalsContact CD2-CG 3.41Å; F155-R160 VanDerWaalsContact CD2-NE 3.28Å; F155-R160 HydrophobicContact CE2-CG 3.59Å; F155-R160 HydrophobicContact CG-CG 4.21Å; F155-R160 HydrophobicContact CZ-CG 4.47Å; F155-R160 VanDerWaalsContact CZ-CZ 3.44Å; N158-R160 HydrophobicContact CB-CG 4.22Å; N158-R160 PolarHBondContact ND2-NH1 2.91Å; N158-R160 PolarHBondContact ND2-NH2 2.89Å; N158-R160 PolarHBondContact O-N 2.87Å; R160-D194 IonicContact CZ-OD1 2.91Å; R160-D194 IonicContact CZ-OD2 3.25Å; R160-D194 VanDerWaalsContact CZ-OD2 3.25Å; R160-D194 IonicContact NE-OD1 3.69Å; R160-D194 IonicContact NH1-OD1 2.79Å; R160-D194 PolarHBondContact NH1-OD1 3.35Å; R160-D194 IonicContact NH1-OD2 2.78Å; R160-D194 PolarHBondContact NH1-OD2 2.87Å; R160-D194 VanDerWaalsContact NH2-CG 3.33Å; R160-D194 IonicContact NH2-OD1 2.92Å; R160-D194 PolarHBondContact NH2-OD1 3.02Å; R160-D194 IonicContact NH2-OD2 2.89Å; R160-D194 PolarHBondContact NH2-OD2 2.61Å; R160-W197 HydrophobicContact CB-CB 4.06Å; R160-W197 HydrophobicContact CB-CD2 3.8Å; R160-W197 HydrophobicContact CB-CG 3.43Å; R160-W197 VanDerWaalsContact CB-CG 3.43Å |
| 161 | P | 89.3 | Confident | 89.5 | Confident | 78 Ų | 78 | 103 Ų | 103 | 51% | 0.506 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 145.9 | 178.3 | -26.8 | 33 | 0 | 0 | 0 | 113.2 | H163 W197 | P161-H163 PolarHBondContact O-N 2.85Å; P161-W197 HydrophobicContact CG-CE3 3.99Å; P161-W197 HydrophobicContact CG-CH2 3.72Å; P161-W197 HydrophobicContact CG-CZ2 4.44Å; P161-W197 HydrophobicContact CG-CZ3 3.47Å; P161-W197 VanDerWaalsContact CG-CZ3 3.47Å |
| 162 | A | 92.3 | Very high | 89.4 | Confident | 45 Ų | 45 | 107.9 Ų | 107.9 | 37% | 0.372 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 134.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L152 F153 Q154 | L152-A162 HydrophobicContact CD1-CB 3.89Å; F153-A162 CarbonylContact O-C 3.55Å; F153-A162 WeakPolarHBondContact O-CA 3.49Å; Q154-A162 HydrophobicContact CB-CB 3.79Å; Q154-A162 HydrophobicContact CG-CB 3.96Å |
| 163 | H | 91.4 | Very high | 89.3 | Confident | 98 Ų | 98 | 105.2 Ų | 105.2 | 45% | 0.454 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 119.5 | 175.3 | 172.6 | -78.4 | 0 | 0 | 0 | 110.6 | L152 F153 P161 | L152-H163 CarbonylContact C-O 3.59Å; L152-H163 WeakPolarHBondContact CA-O 3.4Å; F153-H163 HydrophobicContact CB-CB 4.47Å; F153-H163 PolarHBondContact N-O 3.21Å; F153-H163 PolarHBondContact O-N 3.03Å; P161-H163 PolarHBondContact O-N 2.85Å |
| 164 | Y | 94.1 | Very high | 89.5 | Confident | 169 Ų | 169 | 102.3 Ų | 102.3 | 66% | 0.663 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 111.5 | 172.6 | -173.4 | -112 | 0 | 0 | 0 | 111.4 | A150 K151 L152 | A150-Y164 HydrophobicContact CB-CD1 4.42Å; A150-Y164 HydrophobicContact CB-CD2 4.31Å; A150-Y164 HydrophobicContact CB-CE1 3.83Å; A150-Y164 HydrophobicContact CB-CE2 3.69Å; A150-Y164 VanDerWaalsContact CB-CZ 3.43Å; K151-Y164 WeakPolarHBondContact O-CA 3.29Å; L152-Y164 HydrophobicContact CB-CD2 4.17Å; L152-Y164 HydrophobicContact CD1-CD2 4.19Å |
| 165 | G | 92.1 | Very high | 89.5 | Confident | 16 Ų | 16 | 98.7 Ų | 98.7 | 17% | 0.165 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.8 | -170.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A150 K151 | A150-G165 CarbonylContact C-O 3.55Å; A150-G165 WeakPolarHBondContact CA-O 3.45Å; K151-G165 PolarHBondContact N-O 3.18Å; K151-G165 PolarHBondContact O-N 2.84Å |
| 166 | T | 88 | Confident | 89.7 | Confident | 50 Ų | 50 | 100.6 Ų | 100.6 | 31% | 0.307 | 49% | 0.491 | S | S | . | . | trans | -104.5 | 130.3 | -179.9 | 60.5 | 0 | 0 | 0 | 0 | 111 | L148 R168 | L148-T166 HydrophobicContact CB-CG2 3.94Å; T166-R168 VanDerWaalsContact C-N 3.26Å; T166-R168 PolarHBondContact O-N 3.03Å; T166-R168 WeakPolarHBondContact OG1-CG 3.39Å; T166-R168 PolarHBondContact OG1-NE 3.37Å | ||
| 167 | W | 86.8 | Confident | 90 | Very high | 155 Ų | 155 | 105 Ų | 105 | 59% | 0.587 | 49% | 0.491 | S | S | * | . | trans | -78.8 | 66.1 | 177.5 | -58.8 | -18.2 | 0 | 0 | 0 | 112.4 | K151 | K151-W167 HydrophobicContact CB-CZ2 4.06Å; K151-W167 HydrophobicContact CD-CD2 3.37Å; K151-W167 HydrophobicContact CD-CE3 3.42Å; K151-W167 VanDerWaalsContact CD-CE3 3.42Å; K151-W167 HydrophobicContact CD-CG 4.05Å; K151-W167 HydrophobicContact CD-CH2 3.69Å; K151-W167 HydrophobicContact CD-CZ2 3.67Å; K151-W167 HydrophobicContact CD-CZ3 3.59Å | ||
| 168 | R | 83.6 | Confident | 90.4 | Very high | 126 Ų | 126 | 104.5 Ų | 104.5 | 48% | 0.475 | 48% | 0.482 | S | S | . | . | trans | -87.1 | -29.7 | -177.6 | -60.9 | -174.5 | -160.5 | -164.4 | 10.3 | 113.5 | T166 | T166-R168 VanDerWaalsContact C-N 3.26Å; T166-R168 PolarHBondContact O-N 3.03Å; T166-R168 WeakPolarHBondContact OG1-CG 3.39Å; T166-R168 PolarHBondContact OG1-NE 3.37Å | ||
| 169 | R | 82.8 | Confident | 90.7 | Very high | 190 Ų | 190 | 105.6 Ų | 105.6 | 72% | 0.717 | 49% | 0.492 | S | S | * | . | trans | -75.8 | 129.6 | 179.4 | -149.5 | 175 | 174.4 | 148.9 | 0 | 108.3 | ||||
| 170 | R | 86 | Confident | 91.1 | Very high | 169 Ų | 169 | 108.4 Ų | 108.4 | 64% | 0.638 | 51% | 0.507 | S | S | * | . | trans | -125.5 | 135.1 | -178.9 | -70.8 | -171.4 | -76.9 | 137.2 | -6.2 | 109.4 | ||||
| 171 | S | 89.7 | Confident | 91.4 | Very high | 31 Ų | 31 | 107.5 Ų | 107.5 | 22% | 0.217 | 51% | 0.508 | C | S | . | . | trans | -71.9 | 143.3 | 167.5 | -179.5 | 0 | 0 | 0 | 0 | 110.3 | I173 V174 D183 | S171-I173 PolarHBondContact OG-N 2.68Å; S171-V174 PolarHBondContact OG-N 2.79Å; S171-D183 WeakPolarHBondContact CA-OD2 3.46Å; S171-D183 WeakPolarHBondContact CB-OD2 3.17Å; S171-D183 WeakPolarHBondContact OG-CB 3.37Å; S171-D183 VanDerWaalsContact OG-CG 3.24Å; S171-D183 PolarHBondContact OG-OD2 3.08Å | ||
| 172 | R | 89.4 | Confident | 91.6 | Very high | 186 Ų | 186 | 111.7 Ų | 111.7 | 70% | 0.702 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -84 | -20.4 | 166 | -68 | -174.8 | 179 | 177.8 | 3.5 | 111.8 | ||
| 173 | I | 94.5 | Very high | 91.7 | Very high | 49 Ų | 49 | 109.9 Ų | 109.9 | 25% | 0.251 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -92.4 | -49.7 | -174.5 | -60.8 | 174.4 | 0 | 0 | 0 | 109.9 | S171 T175 A181 R182 D183 Y185 | S171-I173 PolarHBondContact OG-N 2.68Å; I173-T175 PolarHBondContact O-N 2.94Å; I173-A181 HydrophobicContact CG2-CB 3.85Å; I173-R182 VanDerWaalsContact CG2-O 3.28Å; I173-R182 WeakPolarHBondContact CG2-O 3.28Å; I173-D183 HydrophobicContact CB-CB 4.24Å; I173-D183 HydrophobicContact CD1-CB 4.4Å; I173-D183 WeakPolarHBondContact CD1-OD1 3.4Å; I173-Y185 HydrophobicContact CD1-CD2 3.63Å; I173-Y185 HydrophobicContact CD1-CE2 3.98Å |
| 174 | V | 93.6 | Very high | 91.8 | Very high | 47 Ų | 47 | 110.2 Ų | 110.2 | 29% | 0.285 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -80.8 | 112.9 | 174.1 | -166.8 | 0 | 0 | 0 | 0 | 109 | S171 A181 D183 | S171-V174 PolarHBondContact OG-N 2.79Å; V174-A181 WeakPolarHBondContact CG2-O 3.44Å; V174-D183 HydrophobicContact CG2-CB 4.17Å |
| 175 | T | 93.3 | Very high | 91.5 | Very high | 63 Ų | 63 | 111.1 Ų | 111.1 | 39% | 0.387 | 51% | 0.507 | S | S | . | . | B | Isolated β-bridge | trans | -130 | 166 | -179.2 | 64.3 | 0 | 0 | 0 | 0 | 109.9 | I173 R177 R178 | I173-T175 PolarHBondContact O-N 2.94Å; T175-R177 PolarHBondContact O-N 2.69Å; T175-R178 PolarHBondContact N-O 3.29Å; T175-R178 CarbonylContact O-C 3.09Å; T175-R178 WeakPolarHBondContact O-CA 3.35Å; T175-R178 PolarHBondContact O-N 2.79Å; T175-R178 PolarHBondContact OG1-N 3.03Å |
| 176 | G | 94.3 | Very high | 91.2 | Very high | 86 Ų | 86 | 113.5 Ų | 113.5 | 89% | 0.887 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -20.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 177 | R | 96.5 | Very high | 91.2 | Very high | 241 Ų | 241 | 116 Ų | 116 | 91% | 0.909 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -10.1 | 174 | -68 | -174.1 | 129 | 168.2 | -1.7 | 113.7 | T175 | T175-R177 PolarHBondContact O-N 2.69Š|
| 178 | R | 96 | Very high | 91.4 | Very high | 161 Ų | 161 | 113.4 Ų | 113.4 | 61% | 0.608 | 52% | 0.522 | S | S | * | . | B | Isolated β-bridge | trans | -138.8 | 66.7 | -177.7 | -62.4 | 179.2 | 66.3 | 173.1 | -0.3 | 109.6 | T175 F180 A181 | T175-R178 PolarHBondContact N-O 3.29Å; T175-R178 CarbonylContact O-C 3.09Å; T175-R178 WeakPolarHBondContact O-CA 3.35Å; T175-R178 PolarHBondContact O-N 2.79Å; T175-R178 PolarHBondContact OG1-N 3.03Å; R178-F180 VanDerWaalsContact C-N 3.31Å; R178-F180 PolarHBondContact O-N 2.93Å; R178-A181 HydrophobicContact CB-CB 4.2Å; R178-A181 PolarHBondContact O-N 3.17Å |
| 179 | P | 94.6 | Very high | 91.7 | Very high | 79 Ų | 79 | 112 Ų | 112 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -26.6 | -173.5 | 27.6 | -35.2 | 0 | 0 | 0 | 113.5 | ||
| 180 | F | 94.9 | Very high | 92.1 | Very high | 198 Ų | 198 | 107.9 Ų | 107.9 | 87% | 0.868 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 11.3 | -178.7 | -50.7 | -60.3 | 0 | 0 | 0 | 113.8 | R178 | R178-F180 VanDerWaalsContact C-N 3.31Å; R178-F180 PolarHBondContact O-N 2.93Å |
| 181 | A | 95.3 | Very high | 92.2 | Very high | 20 Ų | 20 | 105.2 Ų | 105.2 | 17% | 0.165 | 52% | 0.515 | C | S | . | . | trans | -68.8 | 151.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | I173 V174 R178 | I173-A181 HydrophobicContact CG2-CB 3.85Å; V174-A181 WeakPolarHBondContact CG2-O 3.44Å; R178-A181 HydrophobicContact CB-CB 4.2Å; R178-A181 PolarHBondContact O-N 3.17Å | ||
| 182 | R | 94.3 | Very high | 92.1 | Very high | 166 Ų | 166 | 108 Ų | 108 | 63% | 0.626 | 53% | 0.528 | S | S | * | . | trans | -105.7 | 132.8 | 174.1 | -59.9 | -172 | -155 | 149.5 | 0.6 | 109.8 | I173 D184 Y189 | I173-R182 VanDerWaalsContact CG2-O 3.28Å; I173-R182 WeakPolarHBondContact CG2-O 3.28Å; R182-D184 WeakPolarHBondContact CB-OD1 3.46Å; R182-Y189 HydrophobicContact CB-CD2 3.94Å; R182-Y189 HydrophobicContact CB-CE2 3.78Å; R182-Y189 HydrophobicContact CB-CG 4.43Å; R182-Y189 HydrophobicContact CG-CD1 4.42Å; R182-Y189 HydrophobicContact CG-CD2 4.35Å; R182-Y189 HydrophobicContact CG-CE1 4.45Å; R182-Y189 HydrophobicContact CG-CE2 4.43Å; R182-Y189 HydrophobicContact CG-CG 4.36Å | ||
| 183 | D | 94.1 | Very high | 91.7 | Very high | 7 Ų | 7 | 102.3 Ų | 102.3 | 4% | 0.037 | 52% | 0.516 | C | S | . | . | trans | -99 | 70.8 | 174 | -168.2 | -7.8 | 0 | 0 | 0 | 109.9 | S171 I173 V174 Y185 Q186 L187 Y189 | S171-D183 WeakPolarHBondContact CA-OD2 3.46Å; S171-D183 WeakPolarHBondContact CB-OD2 3.17Å; S171-D183 WeakPolarHBondContact OG-CB 3.37Å; S171-D183 VanDerWaalsContact OG-CG 3.24Å; S171-D183 PolarHBondContact OG-OD2 3.08Å; I173-D183 HydrophobicContact CB-CB 4.24Å; I173-D183 HydrophobicContact CD1-CB 4.4Å; I173-D183 WeakPolarHBondContact CD1-OD1 3.4Å; V174-D183 HydrophobicContact CG2-CB 4.17Å; D183-Y185 PolarHBondContact O-N 3.41Å; D183-Q186 PolarHBondContact O-N 3Å; D183-Q186 PolarHBondContact OD2-NE2 2.88Å; D183-L187 PolarHBondContact O-N 2.52Å; D183-Y189 PolarHBondContact N-OH 3.01Å | ||
| 184 | D | 92.9 | Very high | 91.3 | Very high | 105 Ų | 105 | 101.7 Ų | 101.7 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -9.8 | -175.8 | -55 | -42.5 | 0 | 0 | 0 | 112.8 | R182 L187 Y189 | R182-D184 WeakPolarHBondContact CB-OD1 3.46Å; D184-L187 WeakPolarHBondContact CA-O 3.49Å; D184-Y189 VanDerWaalsContact OD1-CD2 3.23Å; D184-Y189 WeakPolarHBondContact OD1-CD2 3.43Å |
| 185 | Y | 88.8 | Confident | 90.8 | Very high | 188 Ų | 188 | 106 Ų | 106 | 74% | 0.737 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -26.9 | 173.4 | -63.6 | -81.6 | 0 | 0 | 0 | 113.3 | I173 D183 | I173-Y185 HydrophobicContact CD1-CD2 3.63Å; I173-Y185 HydrophobicContact CD1-CE2 3.98Å; D183-Y185 PolarHBondContact O-N 3.41Å |
| 186 | Q | 86.1 | Confident | 90.4 | Very high | 67 Ų | 67 | 110.6 Ų | 110.6 | 31% | 0.313 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.2 | -26.1 | -178.1 | -67.5 | -168.4 | 50.8 | 0 | 0 | 113.3 | D183 | D183-Q186 PolarHBondContact O-N 3Å; D183-Q186 PolarHBondContact OD2-NE2 2.88Å |
| 187 | L | 88.2 | Confident | 90.1 | Very high | 102 Ų | 102 | 112.4 Ų | 112.4 | 53% | 0.534 | 53% | 0.532 | S | S | . | . | trans | -137.5 | 134.5 | -173.7 | -60.9 | 173.8 | 0 | 0 | 0 | 108.3 | D183 D184 Y189 | D183-L187 PolarHBondContact O-N 2.52Å; D184-L187 WeakPolarHBondContact CA-O 3.49Å; L187-Y189 HydrophobicContact CB-CD2 4.34Å; L187-Y189 HydrophobicContact CB-CE2 3.75Å; L187-Y189 WeakPolarHBondContact O-CD2 3.38Å; L187-Y189 WeakPolarHBondContact O-CE2 3.33Å | ||
| 188 | D | 89.9 | Confident | 89.4 | Confident | 100 Ų | 100 | 109.5 Ų | 109.5 | 54% | 0.535 | 53% | 0.529 | S | S | . | . | trans | -88.2 | 112.3 | 168.4 | -175 | -3.2 | 0 | 0 | 0 | 108.9 | S190 I191 | D188-S190 VanDerWaalsContact C-N 3.33Å; D188-S190 VanDerWaalsContact CG-OG 3.26Å; D188-S190 VanDerWaalsContact OD1-CB 3.27Å; D188-S190 WeakPolarHBondContact OD1-CB 3.09Å; D188-S190 PolarHBondContact OD1-N 2.97Å; D188-S190 PolarHBondContact OD1-OG 3.06Å; D188-S190 PolarHBondContact OD2-OG 3.09Å; D188-I191 WeakPolarHBondContact OD2-CD1 3.49Å | ||
| 189 | Y | 89.6 | Confident | 88.8 | Confident | 98 Ų | 98 | 108.1 Ų | 108.1 | 38% | 0.384 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -88.5 | -0.8 | 179 | -63.6 | -96.3 | 0 | 0 | 0 | 113 | R182 D183 D184 L187 I191 | R182-Y189 HydrophobicContact CB-CD2 3.94Å; R182-Y189 HydrophobicContact CB-CE2 3.78Å; R182-Y189 HydrophobicContact CB-CG 4.43Å; R182-Y189 HydrophobicContact CG-CD1 4.42Å; R182-Y189 HydrophobicContact CG-CD2 4.35Å; R182-Y189 HydrophobicContact CG-CE1 4.45Å; R182-Y189 HydrophobicContact CG-CE2 4.43Å; R182-Y189 HydrophobicContact CG-CG 4.36Å; D183-Y189 PolarHBondContact N-OH 3.01Å; D184-Y189 VanDerWaalsContact OD1-CD2 3.23Å; D184-Y189 WeakPolarHBondContact OD1-CD2 3.43Å; L187-Y189 HydrophobicContact CB-CD2 4.34Å; L187-Y189 HydrophobicContact CB-CE2 3.75Å; L187-Y189 WeakPolarHBondContact O-CD2 3.38Å; L187-Y189 WeakPolarHBondContact O-CE2 3.33Å; Y189-I191 VanDerWaalsContact C-N 3.3Å |
| 190 | S | 91.4 | Very high | 88 | Confident | 102 Ų | 102 | 113.1 Ų | 113.1 | 71% | 0.713 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -79.4 | -18.6 | 177.3 | 72.2 | 0 | 0 | 0 | 0 | 112.8 | D188 | D188-S190 VanDerWaalsContact C-N 3.33Å; D188-S190 VanDerWaalsContact CG-OG 3.26Å; D188-S190 VanDerWaalsContact OD1-CB 3.27Å; D188-S190 WeakPolarHBondContact OD1-CB 3.09Å; D188-S190 PolarHBondContact OD1-N 2.97Å; D188-S190 PolarHBondContact OD1-OG 3.06Å; D188-S190 PolarHBondContact OD2-OG 3.09Å |
| 191 | I | 89.1 | Confident | 87.3 | Confident | 113 Ų | 113 | 111.5 Ų | 111.5 | 58% | 0.579 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -101.5 | 130.6 | 179.1 | -57.4 | 170.9 | 0 | 0 | 0 | 108.3 | D188 Y189 | D188-I191 WeakPolarHBondContact OD2-CD1 3.49Å; Y189-I191 VanDerWaalsContact C-N 3.3Å |
| 192 | D | 86.7 | Confident | 86.5 | Confident | 91 Ų | 91 | 116.1 Ų | 116.1 | 49% | 0.487 | 57% | 0.569 | S | S | . | * | trans | -86.8 | 114 | 169 | -164.1 | -15.3 | 0 | 0 | 0 | 109 | D194 | D192-D194 PolarHBondContact O-N 3.24Å; D192-D194 WeakPolarHBondContact OD1-CB 3.39Å; D192-D194 PolarHBondContact OD1-N 2.84Å; D192-D194 VanDerWaalsContact OD1-N 3.11Å | ||
| 193 | S | 82.2 | Confident | 85.9 | Confident | 65 Ų | 65 | 111.6 Ų | 111.6 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.4 | -13.2 | -178.9 | 58.5 | 0 | 0 | 0 | 0 | 113.4 | W197 | S193-W197 VanDerWaalsContact O-CD1 3.29Š|
| 194 | D | 85 | Confident | 85 | Confident | 37 Ų | 37 | 120.2 Ų | 120.2 | 20% | 0.198 | 62% | 0.615 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -79.5 | -32.3 | -170.5 | -63.3 | 10.8 | 0 | 0 | 0 | 110.6 | N158 R160 D192 E196 | N158-D194 PolarHBondContact ND2-OD2 3.01Å; N158-D194 PolarHBondContact OD1-OD2 3.18Å; R160-D194 IonicContact CZ-OD1 2.91Å; R160-D194 IonicContact CZ-OD2 3.25Å; R160-D194 VanDerWaalsContact CZ-OD2 3.25Å; R160-D194 IonicContact NE-OD1 3.69Å; R160-D194 IonicContact NH1-OD1 2.79Å; R160-D194 PolarHBondContact NH1-OD1 3.35Å; R160-D194 IonicContact NH1-OD2 2.78Å; R160-D194 PolarHBondContact NH1-OD2 2.87Å; R160-D194 VanDerWaalsContact NH2-CG 3.33Å; R160-D194 IonicContact NH2-OD1 2.92Å; R160-D194 PolarHBondContact NH2-OD1 3.02Å; R160-D194 IonicContact NH2-OD2 2.89Å; R160-D194 PolarHBondContact NH2-OD2 2.61Å; D192-D194 PolarHBondContact O-N 3.24Å; D192-D194 WeakPolarHBondContact OD1-CB 3.39Å; D192-D194 PolarHBondContact OD1-N 2.84Å; D192-D194 VanDerWaalsContact OD1-N 3.11Å; D194-E196 PolarHBondContact O-N 3.12Å |
| 195 | D | 83.7 | Confident | 84.4 | Confident | 138 Ų | 138 | 120.1 Ų | 120.1 | 74% | 0.738 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -18.3 | -177.6 | -67.8 | -18.9 | 0 | 0 | 0 | 114.1 | W197 | D195-W197 VanDerWaalsContact C-N 3.26Å; D195-W197 PolarHBondContact O-N 3.03Å |
| 196 | E | 85.8 | Confident | 83.6 | Confident | 159 Ų | 159 | 119.5 Ų | 119.5 | 74% | 0.743 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -15.2 | -179 | -167.9 | 177.7 | 176.7 | 0 | 0 | 112.8 | D194 | D194-E196 PolarHBondContact O-N 3.12Š|
| 197 | W | 87.7 | Confident | 83.1 | Confident | 124 Ų | 124 | 121.2 Ų | 121.2 | 47% | 0.47 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -99 | 119.3 | -175.5 | -66 | 87.3 | 0 | 0 | 0 | 111.8 | R160 P161 S193 D195 | R160-W197 HydrophobicContact CB-CB 4.06Å; R160-W197 HydrophobicContact CB-CD2 3.8Å; R160-W197 HydrophobicContact CB-CG 3.43Å; R160-W197 VanDerWaalsContact CB-CG 3.43Å; P161-W197 HydrophobicContact CG-CE3 3.99Å; P161-W197 HydrophobicContact CG-CH2 3.72Å; P161-W197 HydrophobicContact CG-CZ2 4.44Å; P161-W197 HydrophobicContact CG-CZ3 3.47Å; P161-W197 VanDerWaalsContact CG-CZ3 3.47Å; S193-W197 VanDerWaalsContact O-CD1 3.29Å; D195-W197 VanDerWaalsContact C-N 3.26Å; D195-W197 PolarHBondContact O-N 3.03Å |
| 198 | E | 82.2 | Confident | 82.2 | Confident | 179 Ų | 179 | 125 Ų | 125 | 84% | 0.836 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 153.9 | 172.7 | -62.5 | -173.5 | 173.8 | 0 | 0 | 111.7 | E200 | E198-E200 PolarHBondContact O-N 2.86Š|
| 199 | E | 81.5 | Confident | 81.3 | Confident | 132 Ų | 132 | 123.8 Ų | 123.8 | 62% | 0.617 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 129.7 | 172 | -174.7 | 166.6 | -150.2 | 0 | 0 | 109.4 | Y159 E201 | Y159-E199 HydrophobicContact CD1-CB 3.8Å; Y159-E199 HydrophobicContact CD1-CG 3.78Å; Y159-E199 HydrophobicContact CE1-CB 3.82Å; Y159-E199 HydrophobicContact CE1-CG 3.63Å; Y159-E199 HydrophobicContact CG-CB 4.21Å; E199-E201 PolarHBondContact O-N 3.48Å; E199-E201 VanDerWaalsContact O-N 3.16Å |
| 200 | E | 79 | Confident | 80.1 | Confident | 185 Ų | 185 | 126.5 Ų | 126.5 | 86% | 0.864 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 117 | 178.4 | -166.9 | 168.6 | -156.3 | 0 | 0 | 108.9 | E198 | E198-E200 PolarHBondContact O-N 2.86Š|
| 201 | E | 79.9 | Confident | 79 | Confident | 163 Ų | 163 | 127.3 Ų | 127.3 | 76% | 0.762 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 138.4 | 175.2 | -73.8 | -73 | 155.7 | 0 | 0 | 109.8 | E199 G203 | E199-E201 PolarHBondContact O-N 3.48Å; E199-E201 VanDerWaalsContact O-N 3.16Å; E201-G203 PolarHBondContact O-N 2.95Å |
| 202 | P | 79.6 | Confident | 77.6 | Confident | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 72% | 0.716 | S | S | * | * | trans | -56.9 | 113 | -178.5 | 22.2 | -31.7 | 0 | 0 | 0 | 109.6 | E204 | P202-E204 PolarHBondContact O-N 2.87Š| ||
| 203 | G | 79.8 | Confident | 77.1 | Confident | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | trans | -53.4 | 139 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E201 S205 | E201-G203 PolarHBondContact O-N 2.95Å; G203-S205 PolarHBondContact O-N 2.73Å | ||
| 204 | E | 76.2 | Confident | 76.9 | Confident | 188 Ų | 188 | 136.5 Ų | 136.5 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | trans | -57.3 | 126.5 | 177.3 | -58.5 | 178.8 | -154 | 0 | 0 | 110.1 | P202 I206 | P202-E204 PolarHBondContact O-N 2.87Å; E204-I206 PolarHBondContact O-N 3.5Å | ||
| 205 | S | 79.2 | Confident | 76.4 | Confident | 102 Ų | 102 | 142.1 Ų | 142.1 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | -67 | 101 | 178.3 | 53.7 | 0 | 0 | 0 | 0 | 109.9 | G203 T207 | G203-S205 PolarHBondContact O-N 2.73Å; S205-T207 VanDerWaalsContact C-N 3.28Å; S205-T207 PolarHBondContact O-N 2.99Å | ||
| 206 | I | 73.2 | Confident | 76 | Confident | 175 Ų | 175 | 142.3 Ų | 142.3 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | trans | -64.1 | 87.6 | 167.6 | 31.4 | 166.4 | 0 | 0 | 0 | 109.7 | E204 Q208 | E204-I206 PolarHBondContact O-N 3.5Å; I206-Q208 PolarHBondContact O-N 2.74Å | ||
| 207 | T | 74.6 | Confident | 75.4 | Confident | 103 Ų | 103 | 141.3 Ų | 141.3 | 63% | 0.632 | 78% | 0.776 | S | S | * | * | trans | -75.8 | 118.7 | 170.9 | 52.5 | 0 | 0 | 0 | 0 | 109 | S205 S209 | S205-T207 VanDerWaalsContact C-N 3.28Å; S205-T207 PolarHBondContact O-N 2.99Å; T207-S209 PolarHBondContact O-N 3.28Å | ||
| 208 | Q | 70.7 | Confident | 74.5 | Confident | 183 Ų | 183 | 142.4 Ų | 142.4 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -74.7 | 76.7 | 176.3 | -172.3 | 155.1 | -6.6 | 0 | 0 | 110.2 | I206 V211 | I206-Q208 PolarHBondContact O-N 2.74Å; Q208-V211 HydrophobicContact CG-CG2 4.49Å | ||
| 209 | S | 70 | Confident | 74 | Confident | 74 Ų | 74 | 139.8 Ų | 139.8 | 52% | 0.517 | 79% | 0.794 | S | S | . | * | trans | -111.4 | -7.2 | 177.5 | 50.6 | 0 | 0 | 0 | 0 | 115 | T207 V211 | T207-S209 PolarHBondContact O-N 3.28Å; S209-V211 PolarHBondContact O-N 2.72Å | ||
| 210 | D | 65.3 | Low | 73.4 | Confident | 154 Ų | 154 | 140.4 Ų | 140.4 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | -105.2 | 45.6 | -172 | -62.7 | -18.1 | 0 | 0 | 0 | 114.2 | ||||
| 211 | V | 67.4 | Low | 72.9 | Confident | 119 Ų | 119 | 136.7 Ų | 136.7 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | trans | -133.5 | 82.9 | 162.7 | -89.6 | 0 | 0 | 0 | 0 | 108.2 | Q208 S209 | Q208-V211 HydrophobicContact CG-CG2 4.49Å; S209-V211 PolarHBondContact O-N 2.72Å | ||
| 212 | S | 59.6 | Low | 72.3 | Confident | 190 Ų | 190 | 134.3 Ų | 134.3 | 100% | 1.329 | 81% | 0.806 | S | S | * | * | trans | -122.6 | 0 | 167.8 | -72.5 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 212 of 212 residues in 224.1 ms
(Link to these results)