| 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 | 43.5 | Very low | 53.8 | Low | 225 Ų | 225 | 162.6 Ų | 162.6 | 100% | 1.108 | 84% | 0.835 | S | S | * | * | 0 | 105.4 | 0 | -69.3 | 172.8 | -177.3 | 0 | 0 | 106.4 | |||||
| 2 | D | 47.3 | Very low | 53.6 | Low | 141 Ų | 141 | 161.8 Ų | 161.8 | 75% | 0.754 | 83% | 0.834 | S | S | * | * | cis | -147.3 | 155.9 | 1.4 | -70.3 | -61.1 | 0 | 0 | 0 | 110.4 | ||||
| 3 | F | 44.6 | Very low | 53.9 | Low | 212 Ų | 212 | 158.2 Ų | 158.2 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | trans | -112.5 | 82.7 | -176.5 | -159.8 | -87.9 | 0 | 0 | 0 | 109.6 | N5 | F3-N5 PolarHBondContact O-N 3.4Š| ||
| 4 | E | 63.5 | Low | 53.1 | Low | 173 Ų | 173 | 152.6 Ų | 152.6 | 81% | 0.808 | 82% | 0.815 | S | S | * | * | trans | -81.9 | 99.9 | -172.6 | -67.3 | -163.9 | 136.3 | 0 | 0 | 113.5 | ||||
| 5 | N | 55.6 | Low | 52.7 | Low | 130 Ų | 130 | 154.7 Ų | 154.7 | 70% | 0.695 | 83% | 0.825 | S | S | * | * | 53.4 | 79.8 | 122.3 | -159 | 17.5 | 0 | 0 | 0 | 118.5 | F3 | F3-N5 PolarHBondContact O-N 3.4Š| |||
| 6 | L | 60 | Low | 51.8 | Low | 172 Ų | 172 | 149.8 Ų | 149.8 | 90% | 0.901 | 82% | 0.822 | S | S | * | * | trans | -109.4 | 32.9 | 169.9 | -82.6 | 173.4 | 0 | 0 | 0 | 114.4 | ||||
| 7 | F | 51.7 | Low | 51.7 | Low | 198 Ų | 198 | 153.1 Ų | 153.1 | 87% | 0.868 | 83% | 0.827 | S | S | * | * | trans | -110.6 | 100.9 | 166.1 | -79.4 | -76.8 | 0 | 0 | 0 | 110.9 | ||||
| 8 | S | 49 | Very low | 50.8 | Low | 98 Ų | 98 | 152.8 Ų | 152.8 | 69% | 0.685 | 83% | 0.831 | S | S | * | * | trans | -143.1 | 126.2 | 171.7 | -86.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 9 | K | 60.2 | Low | 50.4 | Low | 195 Ų | 195 | 149.9 Ų | 149.9 | 85% | 0.848 | 83% | 0.83 | S | S | * | * | trans | 89 | 103.3 | 167.7 | -54.5 | 152.3 | -174.6 | 176.1 | 0 | 116.6 | ||||
| 10 | P | 59.5 | Low | 49.8 | Very low | 120 Ų | 120 | 149.9 Ų | 149.9 | 78% | 0.779 | 83% | 0.834 | S | S | * | * | trans | -75 | 148.2 | 147.5 | 33.5 | -32.4 | 0 | 0 | 0 | 110.1 | ||||
| 11 | P | 56.9 | Low | 49.2 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | trans | -79.1 | 139.6 | 170.2 | 32.4 | -32.4 | 0 | 0 | 0 | 110.8 | ||||
| 12 | N | 51.9 | Low | 49.1 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -133.9 | 115 | 175.7 | -159.1 | 11 | 0 | 0 | 0 | 109.1 | ||||
| 13 | P | 57.2 | Low | 48.9 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | trans | -124.3 | 109.9 | 156 | 32.3 | -18.3 | 0 | 0 | 0 | 109 | ||||
| 14 | A | 42.4 | Very low | 48.8 | Very low | 81 Ų | 81 | 143 Ų | 143 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | 72.1 | 140.6 | 58.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 15 | L | 47.1 | Very low | 48 | Very low | 184 Ų | 184 | 144.5 Ų | 144.5 | 96% | 0.963 | 81% | 0.81 | S | S | * | * | trans | 79.7 | 134.7 | 179.3 | -45.7 | 179.7 | 0 | 0 | 0 | 115 | ||||
| 16 | G | 38.9 | Very low | 47.5 | Very low | 75 Ų | 75 | 145.6 Ų | 145.6 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | cis | -156.6 | 170 | 1.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 17 | K | 49.3 | Very low | 46.8 | Very low | 207 Ų | 207 | 143.9 Ų | 143.9 | 90% | 0.9 | 81% | 0.807 | S | S | * | * | trans | -121.5 | 143.2 | -173.2 | -39.1 | 166.6 | -173.9 | 176.1 | 0 | 109.7 | ||||
| 18 | T | 36.1 | Very low | 46.6 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -148.3 | 136.2 | 147.5 | 41.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 19 | A | 42.8 | Very low | 46.7 | Very low | 98 Ų | 98 | 145.5 Ų | 145.5 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -99.4 | 152.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 20 | T | 38.8 | Very low | 46.3 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 92% | 0.92 | 81% | 0.809 | S | S | * | * | trans | -141.6 | 150.1 | 153.7 | 36.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 21 | D | 37.2 | Very low | 45.4 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | trans | -99.8 | 177.7 | -173.5 | -178.5 | -88.4 | 0 | 0 | 0 | 110.6 | ||||
| 22 | S | 41.6 | Very low | 44.4 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | 104 | 129.1 | 153.9 | -50.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 23 | D | 43.2 | Very low | 44.1 | Very low | 142 Ų | 142 | 142.9 Ų | 142.9 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | -41.2 | 152.6 | 166.9 | -99.5 | -89 | 0 | 0 | 0 | 116.1 | ||||
| 24 | E | 41.3 | Very low | 43.3 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | -171.9 | 155.5 | 92.8 | -94 | -166.7 | 149.7 | 0 | 0 | 112.7 | |||||
| 25 | R | 47.3 | Very low | 43.2 | Very low | 204 Ų | 204 | 148.2 Ų | 148.2 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | -78.1 | 141.9 | 167.5 | -69 | 179.9 | 175.7 | 86.9 | -3.9 | 110.2 | ||||
| 26 | I | 46.3 | Very low | 42.9 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -134.8 | 119 | 139.4 | -61.3 | -175.9 | 0 | 0 | 0 | 107.5 | ||||
| 27 | D | 44 | Very low | 43.1 | Very low | 137 Ų | 137 | 151.1 Ų | 151.1 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | trans | -79.9 | 133.8 | 161.9 | -63.9 | -82.8 | 0 | 0 | 0 | 108.1 | ||||
| 28 | D | 46.8 | Very low | 42.3 | Very low | 146 Ų | 146 | 147.3 Ų | 147.3 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | -145.2 | 106.1 | 158.8 | -96.2 | -49.1 | 0 | 0 | 0 | 109.4 | ||||
| 29 | E | 52.6 | Low | 42.4 | Very low | 184 Ų | 184 | 148.8 Ų | 148.8 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -89.8 | 111 | 172.8 | 173.5 | -179.6 | -154.9 | 0 | 0 | 107.7 | ||||
| 30 | I | 52 | Low | 42.3 | Very low | 158 Ų | 158 | 152.7 Ų | 152.7 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -131.5 | 129.4 | 165.1 | -63.7 | -175.1 | 0 | 0 | 0 | 109.2 | ||||
| 31 | D | 40 | Very low | 42.3 | Very low | 132 Ų | 132 | 154.9 Ų | 154.9 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -86.1 | -174.2 | -170.9 | -127.4 | -37 | 0 | 0 | 0 | 113.2 | ||||
| 32 | D | 35.2 | Very low | 42.1 | Very low | 158 Ų | 158 | 155.8 Ų | 155.8 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | 88.2 | 149.3 | 155.9 | -69.7 | -50.5 | 0 | 0 | 0 | 120.7 | ||||
| 33 | A | 45.8 | Very low | 41.9 | Very low | 89 Ų | 89 | 158.9 Ų | 158.9 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -114.7 | -159.8 | -156.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 34 | E | 39.8 | Very low | 41.4 | Very low | 186 Ų | 186 | 159.9 Ų | 159.9 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | 78.5 | 142.6 | 179.6 | -55.3 | -159.1 | 162.8 | 0 | 0 | 114.9 | ||||
| 35 | V | 40.5 | Very low | 40.9 | Very low | 122 Ų | 122 | 157.3 Ų | 157.3 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | cis | -158.1 | 161.3 | -2.6 | 112.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 36 | E | 42.3 | Very low | 40.1 | Very low | 160 Ų | 160 | 155.4 Ų | 155.4 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -4.5 | 160 | 163.6 | -64.5 | -66.2 | 156.2 | 0 | 0 | 125.5 | ||||
| 37 | E | 41.7 | Very low | 39.9 | Very low | 160 Ų | 160 | 155.4 Ų | 155.4 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 67.2 | 144.6 | 146.6 | -90.7 | -153.1 | 124 | 0 | 0 | 120.2 | ||||
| 38 | I | 34.1 | Very low | 39.3 | Very low | 126 Ų | 126 | 157.2 Ų | 157.2 | 65% | 0.646 | 78% | 0.78 | S | S | * | * | cis | -143.3 | 162.5 | -11 | -7 | 152.9 | 0 | 0 | 0 | 106.6 | ||||
| 39 | Q | 38.3 | Very low | 38.9 | Very low | 179 Ų | 179 | 157.9 Ų | 157.9 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | -174.1 | 145.4 | 79.6 | -84.7 | -177.1 | 9.9 | 0 | 0 | 112.2 | |||||
| 40 | E | 39.5 | Very low | 38.3 | Very low | 180 Ų | 180 | 157 Ų | 157 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | -77.3 | 145.9 | 172 | -49.2 | 176.6 | 120.4 | 0 | 0 | 111.8 | ||||
| 41 | E | 38.4 | Very low | 37.6 | Very low | 196 Ų | 196 | 154.4 Ų | 154.4 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | trans | -135.4 | 150.4 | 142.1 | -139.5 | -165.5 | 155.2 | 0 | 0 | 111.9 | ||||
| 42 | K | 34.1 | Very low | 37.7 | Very low | 165 Ų | 165 | 158.2 Ų | 158.2 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | trans | -135 | 97.1 | -147 | 174.2 | -171.3 | -174.1 | 171.7 | 0 | 109.6 | ||||
| 43 | I | 36 | Very low | 37.9 | Very low | 172 Ų | 172 | 159.9 Ų | 159.9 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | trans | -100.8 | 109.6 | 170.7 | -55.8 | -178.3 | 0 | 0 | 0 | 108.8 | ||||
| 44 | K | 33.3 | Very low | 37 | Very low | 162 Ų | 162 | 163.6 Ų | 163.6 | 70% | 0.704 | 78% | 0.781 | S | S | * | * | trans | -112.8 | 166 | 175.1 | -166.8 | 179.6 | -178.4 | -177.4 | 0 | 107.9 | ||||
| 45 | L | 31.2 | Very low | 36.7 | Very low | 134 Ų | 134 | 165.9 Ų | 165.9 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | trans | 79.4 | 140.5 | 176.1 | -51.1 | 123.8 | 0 | 0 | 0 | 112.9 | ||||
| 46 | E | 29.5 | Very low | 36.2 | Very low | 164 Ų | 164 | 166.9 Ų | 166.9 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | cis | -150.6 | 158.2 | 1.5 | -136.1 | 158.5 | -169.2 | 0 | 0 | 114.1 | ||||
| 47 | H | 42 | Very low | 35.7 | Very low | 153 Ų | 153 | 169.2 Ų | 169.2 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | trans | -92.9 | 109.5 | 172.9 | 158.7 | -68 | 0 | 0 | 0 | 108.6 | ||||
| 48 | E | 32.7 | Very low | 35.1 | Very low | 176 Ų | 176 | 164.6 Ų | 164.6 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -109.1 | 133.8 | 175.6 | -87.5 | -101.3 | 93.6 | 0 | 0 | 111.7 | ||||
| 49 | Q | 37.5 | Very low | 34.9 | Very low | 160 Ų | 160 | 166.3 Ų | 166.3 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 122.7 | -172.6 | -61.6 | 170.5 | 20.8 | 0 | 0 | 110.7 | P51 | Q49-P51 WeakPolarHBondContact O-CD 3.25Š|
| 50 | I | 39.9 | Very low | 34.6 | Very low | 166 Ų | 166 | 164 Ų | 164 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 122.9 | 174.3 | -57.4 | 179.3 | 0 | 0 | 0 | 109.8 | ||
| 51 | P | 38.2 | Very low | 34.1 | Very low | 102 Ų | 102 | 160 Ų | 160 | 66% | 0.662 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 134.4 | -166.3 | 29.4 | -35.7 | 0 | 0 | 0 | 114.4 | Q49 K53 | Q49-P51 WeakPolarHBondContact O-CD 3.25Å; P51-K53 PolarHBondContact O-N 2.79Å |
| 52 | K | 41.9 | Very low | 33.9 | Very low | 212 Ų | 212 | 157.3 Ų | 157.3 | 92% | 0.922 | 79% | 0.79 | S | S | * | * | trans | -68.4 | 109.5 | 170.3 | -66.6 | 173.2 | -178.9 | 171.6 | 0 | 110.6 | F54 | K52-F54 PolarHBondContact O-N 3.23Š| ||
| 53 | K | 38.3 | Very low | 34.1 | Very low | 194 Ų | 194 | 154.4 Ų | 154.4 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -87.4 | 102.5 | 170.6 | -77.8 | -177.5 | 179.4 | 171.7 | 0 | 111.5 | P51 | P51-K53 PolarHBondContact O-N 2.79Š| ||
| 54 | F | 28.5 | Very low | 34.4 | Very low | 166 Ų | 166 | 152.2 Ų | 152.2 | 73% | 0.728 | 79% | 0.788 | S | S | * | * | trans | -73.3 | 127.2 | 169.7 | -157 | -117.2 | 0 | 0 | 0 | 109.6 | K52 H56 | K52-F54 PolarHBondContact O-N 3.23Å; F54-H56 AromaticContact CE1-CD2 3.37Å; F54-H56 WeakPolarHBondContact CE1-CD2 3.38Å; F54-H56 AromaticContact CE1-CE1 3.8Å; F54-H56 AromaticContact CE1-CG 3.99Å; F54-H56 AromaticContact CE1-NE2 3.25Å; F54-H56 VanDerWaalsContact CE1-NE2 3.25Å; F54-H56 WeakPolarHBondContact CE1-NE2 3.37Å; F54-H56 AromaticContact CZ-CD2 3.98Å; F54-H56 AromaticContact CZ-CE1 3.6Å; F54-H56 AromaticContact CZ-NE2 3.38Å; F54-H56 WeakPolarHBondContact CZ-NE2 3.49Å | ||
| 55 | R | 33.6 | Very low | 34.6 | Very low | 235 Ų | 235 | 154.3 Ų | 154.3 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | -127.8 | 113.5 | 160.9 | -76.7 | -160.6 | -176.7 | -158.6 | 4.8 | 109.3 | ||||
| 56 | H | 30.3 | Very low | 34.6 | Very low | 143 Ų | 143 | 153.5 Ų | 153.5 | 66% | 0.662 | 80% | 0.802 | S | S | * | * | trans | -85.6 | 132.4 | 158.7 | -80.4 | -43.1 | 0 | 0 | 0 | 109.3 | F54 | F54-H56 AromaticContact CE1-CD2 3.37Å; F54-H56 WeakPolarHBondContact CE1-CD2 3.38Å; F54-H56 AromaticContact CE1-CE1 3.8Å; F54-H56 AromaticContact CE1-CG 3.99Å; F54-H56 AromaticContact CE1-NE2 3.25Å; F54-H56 VanDerWaalsContact CE1-NE2 3.25Å; F54-H56 WeakPolarHBondContact CE1-NE2 3.37Å; F54-H56 AromaticContact CZ-CD2 3.98Å; F54-H56 AromaticContact CZ-CE1 3.6Å; F54-H56 AromaticContact CZ-NE2 3.38Å; F54-H56 WeakPolarHBondContact CZ-NE2 3.49Å | ||
| 57 | F | 30.1 | Very low | 34.8 | Very low | 208 Ų | 208 | 150.8 Ų | 150.8 | 91% | 0.912 | 80% | 0.801 | S | S | * | * | trans | -136 | 139.9 | 140.1 | -97.4 | -82.6 | 0 | 0 | 0 | 107.6 | ||||
| 58 | G | 29.2 | Very low | 34.5 | Very low | 64 Ų | 64 | 151 Ų | 151 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | trans | -99.7 | 159.2 | -163.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 59 | N | 29.7 | Very low | 34.5 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | 38.3 | 121.3 | 141.4 | -55.4 | -2.7 | 0 | 0 | 0 | 119.6 | ||||
| 60 | S | 32.2 | Very low | 34.6 | Very low | 131 Ų | 131 | 152.5 Ų | 152.5 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | -141.8 | 132.7 | 126 | -80.4 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 61 | A | 29.8 | Very low | 34.4 | Very low | 95 Ų | 95 | 152.9 Ų | 152.9 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -112.8 | 132.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 62 | V | 33.7 | Very low | 34.4 | Very low | 141 Ų | 141 | 153.4 Ų | 153.4 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | -138.4 | 113.7 | 160.3 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 63 | S | 39.4 | Very low | 34.8 | Very low | 104 Ų | 104 | 154.9 Ų | 154.9 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -87.1 | 163 | 160.5 | -53.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 64 | P | 41.3 | Very low | 35.2 | Very low | 126 Ų | 126 | 150.1 Ų | 150.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | -123.2 | 160.7 | 116.6 | 33.6 | -29.8 | 0 | 0 | 0 | 113.8 | |||||
| 65 | K | 36.8 | Very low | 36.5 | Very low | 205 Ų | 205 | 151.2 Ų | 151.2 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | trans | -76.8 | 153 | 176.5 | -57.4 | 156.6 | -177.4 | 170.8 | 0 | 107.9 | ||||
| 66 | S | 31.3 | Very low | 37 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | -160.7 | 150.3 | 84.5 | 51.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 67 | S | 34.6 | Very low | 37.4 | Very low | 107 Ų | 107 | 149.9 Ų | 149.9 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -81.8 | 166.1 | 169.2 | 51.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 68 | L | 35.3 | Very low | 38.6 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | 101.9 | 146.7 | 171.8 | -59.4 | 178.4 | 0 | 0 | 0 | 114.1 | ||||
| 69 | H | 31.9 | Very low | 39.4 | Very low | 145 Ų | 145 | 150.5 Ų | 150.5 | 67% | 0.671 | 80% | 0.804 | S | S | * | * | cis | -119.2 | -156.3 | -5.9 | -164.3 | 60.2 | 0 | 0 | 0 | 110.7 | K71 | H69-K71 PolarHBondContact NE2-NZ 3.38Š| ||
| 70 | R | 40.9 | Very low | 40.2 | Very low | 221 Ų | 221 | 152.7 Ų | 152.7 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -139.9 | 132.4 | 171.7 | -172.9 | -168.7 | -160.2 | -174.8 | 7.5 | 107 | ||||
| 71 | K | 34.4 | Very low | 40.8 | Very low | 174 Ų | 174 | 152.1 Ų | 152.1 | 76% | 0.757 | 80% | 0.798 | S | S | * | * | trans | 130.8 | 153.4 | 178.5 | -76.6 | 148.5 | -158.6 | 163 | 0 | 108.8 | H69 | H69-K71 PolarHBondContact NE2-NZ 3.38Š| ||
| 72 | S | 39.6 | Very low | 41.7 | Very low | 114 Ų | 114 | 153.9 Ų | 153.9 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | cis | -162.4 | 171.7 | -22.1 | -96.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 73 | R | 50.4 | Low | 42.4 | Very low | 243 Ų | 243 | 153.9 Ų | 153.9 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | trans | -91.9 | 115.1 | -169.8 | 174.3 | -174.4 | 179.9 | 176.5 | -0.2 | 113.6 | ||||
| 74 | S | 47.1 | Very low | 42.7 | Very low | 93 Ų | 93 | 157 Ų | 157 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | trans | -150.8 | 135.7 | 148.2 | 53.8 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 75 | K | 55.7 | Low | 42.9 | Very low | 189 Ų | 189 | 157 Ų | 157 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | cis | 69.6 | 60.9 | 20.6 | -159.8 | 154.3 | -171.4 | 170.9 | 0 | 115.4 | ||||
| 76 | D | 43.1 | Very low | 43 | Very low | 137 Ų | 137 | 152.8 Ų | 152.8 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | trans | -120.4 | 152.8 | 152.7 | -62 | -73.3 | 0 | 0 | 0 | 107.4 | ||||
| 77 | Y | 39.8 | Very low | 43.8 | Very low | 213 Ų | 213 | 150.3 Ų | 150.3 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -128 | 95.4 | -159.5 | -171.5 | -80.2 | 0 | 0 | 0 | 108.7 | ||||
| 78 | D | 54.9 | Low | 44.6 | Very low | 157 Ų | 157 | 154.2 Ų | 154.2 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 135.1 | -178 | -75.4 | -49.8 | 0 | 0 | 0 | 112.9 | ||
| 79 | V | 46.2 | Very low | 45.1 | Very low | 129 Ų | 129 | 155.4 Ų | 155.4 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 142.4 | -169.5 | 176.4 | 0 | 0 | 0 | 0 | 113.4 | S81 | V79-S81 PolarHBondContact O-N 3.03Š|
| 80 | Y | 45.1 | Very low | 46.5 | Very low | 207 Ų | 207 | 151.7 Ų | 151.7 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 130 | 170.1 | -106.4 | -103.9 | 0 | 0 | 0 | 112.1 | D82 | Y80-D82 HydrophobicContact CD1-CB 4.23Š|
| 81 | S | 45.1 | Very low | 47.3 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -119.7 | 98.5 | 153.2 | -170.9 | 0 | 0 | 0 | 0 | 107.7 | V79 N83 | V79-S81 PolarHBondContact O-N 3.03Å; S81-N83 PolarHBondContact O-N 3.1Å | ||
| 82 | D | 49.6 | Very low | 48.8 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -87.9 | 93.6 | 178.8 | -170.1 | 16.7 | 0 | 0 | 0 | 109.2 | Y80 | Y80-D82 HydrophobicContact CD1-CB 4.23Š| ||
| 83 | N | 48.6 | Very low | 50.8 | Low | 140 Ų | 140 | 145.9 Ų | 145.9 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | 169 | 97.5 | 154.2 | -92.7 | -34.7 | 0 | 0 | 0 | 109.6 | S81 | S81-N83 PolarHBondContact O-N 3.1Š| ||
| 84 | D | 45.6 | Very low | 52.4 | Low | 169 Ų | 169 | 141.3 Ų | 141.3 | 90% | 0.904 | 75% | 0.747 | S | S | * | * | trans | -134.6 | 102.4 | 148.9 | -98.8 | -44.9 | 0 | 0 | 0 | 109 | ||||
| 85 | T | 44.3 | Very low | 54.4 | Low | 127 Ų | 127 | 139.1 Ų | 139.1 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | trans | -32.1 | 133.1 | 173 | -47.9 | 0 | 0 | 0 | 0 | 113.3 | G87 | T85-G87 PolarHBondContact O-N 2.96Š| ||
| 86 | C | 39.5 | Very low | 55.9 | Low | 117 Ų | 117 | 136.4 Ų | 136.4 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | trans | -52.3 | 107.1 | 166.1 | 177.8 | 0 | 0 | 0 | 0 | 109.6 | Q88 | C86-Q88 PolarHBondContact O-N 2.99Å; C86-Q88 VanDerWaalsContact O-N 3.08Å | ||
| 87 | G | 49.2 | Very low | 58.2 | Low | 64 Ų | 64 | 136 Ų | 136 | 66% | 0.66 | 72% | 0.717 | S | S | * | * | trans | -64.3 | 110.3 | 174 | 0 | 0 | 0 | 0 | 0 | 109 | T85 E89 | T85-G87 PolarHBondContact O-N 2.96Å; G87-E89 VanDerWaalsContact C-N 3.33Å; G87-E89 PolarHBondContact O-N 2.96Å | ||
| 88 | Q | 49.7 | Very low | 60.7 | Low | 190 Ų | 190 | 129.9 Ų | 129.9 | 89% | 0.888 | 70% | 0.698 | S | S | * | * | trans | -63.1 | 98.5 | 164.9 | -74.1 | 179.5 | -87.2 | 0 | 0 | 108.2 | C86 S90 | C86-Q88 PolarHBondContact O-N 2.99Å; C86-Q88 VanDerWaalsContact O-N 3.08Å; Q88-S90 VanDerWaalsContact C-N 3.3Å; Q88-S90 PolarHBondContact O-N 3.02Å | ||
| 89 | E | 46.3 | Very low | 62.4 | Low | 184 Ų | 184 | 129 Ų | 129 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | trans | -62.8 | 99.9 | 156.3 | -65.2 | -174.1 | 179.9 | 0 | 0 | 106.3 | G87 E91 | G87-E89 VanDerWaalsContact C-N 3.33Å; G87-E89 PolarHBondContact O-N 2.96Å; E89-E91 PolarHBondContact O-N 2.8Å | ||
| 90 | S | 62.4 | Low | 64.6 | Low | 66 Ų | 66 | 129.6 Ų | 129.6 | 46% | 0.462 | 68% | 0.683 | S | S | . | * | trans | -59.5 | 122.7 | -176.7 | 57.4 | 0 | 0 | 0 | 0 | 109.3 | Q88 D92 N93 | Q88-S90 VanDerWaalsContact C-N 3.3Å; Q88-S90 PolarHBondContact O-N 3.02Å; S90-D92 PolarHBondContact O-N 2.84Å; S90-N93 PolarHBondContact O-N 3.31Å | ||
| 91 | E | 57 | Low | 66.8 | Low | 177 Ų | 177 | 126.8 Ų | 126.8 | 83% | 0.827 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | -23.9 | -177.7 | -60 | 177.1 | 162.6 | 0 | 0 | 112.5 | E89 N93 F94 A95 | E89-E91 PolarHBondContact O-N 2.8Å; E91-N93 PolarHBondContact O-N 3.04Å; E91-N93 VanDerWaalsContact O-N 3.16Å; E91-F94 PolarHBondContact O-N 3.23Å; E91-A95 PolarHBondContact O-N 3.35Å |
| 92 | D | 64.8 | Low | 69.1 | Low | 101 Ų | 101 | 124.9 Ų | 124.9 | 54% | 0.54 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -49.2 | -26.5 | 167.2 | -77.6 | -46.8 | 0 | 0 | 0 | 116.4 | S90 K96 | S90-D92 PolarHBondContact O-N 2.84Å; D92-K96 WeakPolarHBondContact O-CD 3.44Å; D92-K96 WeakPolarHBondContact O-CE 3.19Å; D92-K96 WeakPolarHBondContact O-CG 3.45Å |
| 93 | N | 82.3 | Confident | 71.2 | Confident | 109 Ų | 109 | 124.3 Ų | 124.3 | 58% | 0.583 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -79.6 | -51.4 | -178.2 | -160.8 | -17.7 | 0 | 0 | 0 | 110.7 | S90 E91 A95 K96 E97 | S90-N93 PolarHBondContact O-N 3.31Å; E91-N93 PolarHBondContact O-N 3.04Å; E91-N93 VanDerWaalsContact O-N 3.16Å; N93-A95 VanDerWaalsContact C-N 3.32Å; N93-A95 PolarHBondContact O-N 3.38Å; N93-K96 PolarHBondContact O-N 2.88Å; N93-K96 VanDerWaalsContact O-N 3.16Å; N93-E97 PolarHBondContact O-N 3.45Å |
| 94 | F | 84.4 | Confident | 73.1 | Confident | 147 Ų | 147 | 120.4 Ų | 120.4 | 65% | 0.645 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61.4 | -39.3 | 177.3 | -175.8 | -101.1 | 0 | 0 | 0 | 112.5 | E91 K96 E97 L98 | E91-F94 PolarHBondContact O-N 3.23Å; F94-K96 VanDerWaalsContact C-N 3.33Å; F94-K96 PolarHBondContact O-N 3Å; F94-E97 PolarHBondContact O-N 3.45Å; F94-L98 WeakPolarHBondContact O-CB 3.39Å; F94-L98 PolarHBondContact O-N 3.09Å |
| 95 | A | 89.2 | Confident | 75.2 | Confident | 48 Ų | 48 | 119.6 Ų | 119.6 | 40% | 0.397 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -59.7 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E91 N93 Q99 | E91-A95 PolarHBondContact O-N 3.35Å; N93-A95 VanDerWaalsContact C-N 3.32Å; N93-A95 PolarHBondContact O-N 3.38Å; A95-Q99 WeakPolarHBondContact O-CB 3.47Å; A95-Q99 PolarHBondContact O-N 3.3Å; A95-Q99 VanDerWaalsContact O-N 3.07Å |
| 96 | K | 87.7 | Confident | 77.2 | Confident | 131 Ų | 131 | 119.3 Ų | 119.3 | 57% | 0.57 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.2 | -42.6 | 178.7 | -70.7 | 164.9 | -162.3 | 158.7 | 0 | 111.8 | D92 N93 F94 Q99 Q100 | D92-K96 WeakPolarHBondContact O-CD 3.44Å; D92-K96 WeakPolarHBondContact O-CE 3.19Å; D92-K96 WeakPolarHBondContact O-CG 3.45Å; N93-K96 PolarHBondContact O-N 2.88Å; N93-K96 VanDerWaalsContact O-N 3.16Å; F94-K96 VanDerWaalsContact C-N 3.33Å; F94-K96 PolarHBondContact O-N 3Å; K96-Q99 PolarHBondContact O-N 3.22Å; K96-Q100 WeakPolarHBondContact O-CB 3.38Å; K96-Q100 PolarHBondContact O-N 2.69Å |
| 97 | E | 91.6 | Very high | 79 | Confident | 128 Ų | 128 | 120.2 Ų | 120.2 | 60% | 0.598 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.8 | -45.5 | 176.7 | -172.3 | 176.1 | -176.7 | 0 | 0 | 111.7 | N93 F94 Q99 Q100 Y101 | N93-E97 PolarHBondContact O-N 3.45Å; F94-E97 PolarHBondContact O-N 3.45Å; E97-Q99 VanDerWaalsContact C-N 3.33Å; E97-Q99 PolarHBondContact O-N 2.95Å; E97-Q100 PolarHBondContact O-N 3.04Å; E97-Y101 PolarHBondContact O-N 2.8Å |
| 98 | L | 90.4 | Very high | 80.4 | Confident | 85 Ų | 85 | 120 Ų | 120 | 45% | 0.445 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61 | -41.8 | 176.5 | -179.9 | 60.8 | 0 | 0 | 0 | 112 | F94 Y101 I102 | F94-L98 WeakPolarHBondContact O-CB 3.39Å; F94-L98 PolarHBondContact O-N 3.09Å; L98-Y101 PolarHBondContact O-N 3.24Å; L98-I102 HydrophobicContact CD1-CD1 4.41Å; L98-I102 HydrophobicContact CG-CD1 4.15Å; L98-I102 WeakPolarHBondContact O-CG1 3.05Å; L98-I102 PolarHBondContact O-N 2.86Å |
| 99 | Q | 91.9 | Very high | 81.5 | Confident | 139 Ų | 139 | 115.4 Ų | 115.4 | 65% | 0.65 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.8 | -35.1 | -179.1 | -155.2 | 151.7 | 20.1 | 0 | 0 | 111.9 | A95 K96 E97 I102 Q103 | A95-Q99 WeakPolarHBondContact O-CB 3.47Å; A95-Q99 PolarHBondContact O-N 3.3Å; A95-Q99 VanDerWaalsContact O-N 3.07Å; K96-Q99 PolarHBondContact O-N 3.22Å; E97-Q99 VanDerWaalsContact C-N 3.33Å; E97-Q99 PolarHBondContact O-N 2.95Å; Q99-I102 PolarHBondContact O-N 3.2Å; Q99-Q103 PolarHBondContact O-N 2.79Å |
| 100 | Q | 92.5 | Very high | 82.6 | Confident | 141 Ų | 141 | 110.8 Ų | 110.8 | 66% | 0.659 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.9 | -37.3 | 173.1 | -155.1 | 169.8 | 37 | 0 | 0 | 112 | K96 E97 A104 | K96-Q100 WeakPolarHBondContact O-CB 3.38Å; K96-Q100 PolarHBondContact O-N 2.69Å; E97-Q100 PolarHBondContact O-N 3.04Å; Q100-A104 WeakPolarHBondContact O-CB 3.44Å; Q100-A104 PolarHBondContact O-N 3.04Å |
| 101 | Y | 91 | Very high | 82.4 | Confident | 149 Ų | 149 | 111.2 Ų | 111.2 | 58% | 0.584 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.7 | -42.8 | 173.1 | 178.3 | -97 | 0 | 0 | 0 | 112.9 | E97 L98 A104 R105 | E97-Y101 PolarHBondContact O-N 2.8Å; L98-Y101 PolarHBondContact O-N 3.24Å; Y101-A104 PolarHBondContact O-N 3.37Å; Y101-R105 WeakPolarHBondContact O-CB 3.24Å; Y101-R105 PolarHBondContact O-N 3.25Å |
| 102 | I | 93.9 | Very high | 82 | Confident | 78 Ų | 78 | 109.5 Ų | 109.5 | 40% | 0.4 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.2 | -49.4 | 175.9 | -68.5 | 163.6 | 0 | 0 | 0 | 110.1 | L98 Q99 A104 R105 E106 | L98-I102 HydrophobicContact CD1-CD1 4.41Å; L98-I102 HydrophobicContact CG-CD1 4.15Å; L98-I102 WeakPolarHBondContact O-CG1 3.05Å; L98-I102 PolarHBondContact O-N 2.86Å; Q99-I102 PolarHBondContact O-N 3.2Å; I102-A104 PolarHBondContact O-N 3.26Å; I102-R105 WeakPolarHBondContact O-CB 3.31Å; I102-R105 PolarHBondContact O-N 3.32Å; I102-R105 VanDerWaalsContact O-N 3.13Å; I102-E106 HydrophobicContact CG2-CG 4.45Å; I102-E106 WeakPolarHBondContact O-CG 2.96Å; I102-E106 PolarHBondContact O-N 3.26Å |
| 103 | Q | 92.6 | Very high | 80.9 | Confident | 120 Ų | 120 | 110 Ų | 110 | 56% | 0.561 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.7 | -44.6 | 179.4 | -172.3 | 176.3 | 34.8 | 0 | 0 | 112.3 | Q99 R105 E106 M107 | Q99-Q103 PolarHBondContact O-N 2.79Å; Q103-R105 VanDerWaalsContact C-N 3.29Å; Q103-R105 PolarHBondContact O-N 2.86Å; Q103-E106 PolarHBondContact O-N 3.25Å; Q103-M107 HydrophobicContact CG-SD 4.49Å; Q103-M107 WeakPolarHBondContact O-CG 3.36Å; Q103-M107 PolarHBondContact O-N 3.14Å |
| 104 | A | 89.4 | Confident | 79.1 | Confident | 59 Ų | 59 | 113.5 Ų | 113.5 | 49% | 0.488 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62 | -37.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q100 Y101 I102 A108 | Q100-A104 WeakPolarHBondContact O-CB 3.44Å; Q100-A104 PolarHBondContact O-N 3.04Å; Y101-A104 PolarHBondContact O-N 3.37Å; I102-A104 PolarHBondContact O-N 3.26Å; A104-A108 WeakPolarHBondContact O-CB 3.28Å; A104-A108 PolarHBondContact O-N 2.92Å; A104-A108 VanDerWaalsContact O-N 3.08Å |
| 105 | R | 89.1 | Confident | 76.7 | Confident | 152 Ų | 152 | 115.5 Ų | 115.5 | 57% | 0.574 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.8 | -40 | 176.7 | -174.1 | 177.4 | 179.8 | -170.3 | -2.5 | 112.3 | Y101 I102 Q103 A108 N109 | Y101-R105 WeakPolarHBondContact O-CB 3.24Å; Y101-R105 PolarHBondContact O-N 3.25Å; I102-R105 WeakPolarHBondContact O-CB 3.31Å; I102-R105 PolarHBondContact O-N 3.32Å; I102-R105 VanDerWaalsContact O-N 3.13Å; Q103-R105 VanDerWaalsContact C-N 3.29Å; Q103-R105 PolarHBondContact O-N 2.86Å; R105-A108 PolarHBondContact O-N 3.03Å; R105-N109 VanDerWaalsContact O-CG 3.27Å; R105-N109 PolarHBondContact O-N 3.35Å; R105-N109 PolarHBondContact O-ND2 3.47Å |
| 106 | E | 86.9 | Confident | 74 | Confident | 121 Ų | 121 | 117.6 Ų | 117.6 | 57% | 0.565 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.7 | -43.9 | 175.3 | -73.2 | 175.4 | 171.1 | 0 | 0 | 111.6 | I102 Q103 A108 N109 A110 | I102-E106 HydrophobicContact CG2-CG 4.45Å; I102-E106 WeakPolarHBondContact O-CG 2.96Å; I102-E106 PolarHBondContact O-N 3.26Å; Q103-E106 PolarHBondContact O-N 3.25Å; E106-A108 VanDerWaalsContact C-N 3.32Å; E106-A108 PolarHBondContact O-N 2.97Å; E106-N109 PolarHBondContact O-N 3.34Å; E106-A110 WeakPolarHBondContact O-CB 3.3Å; E106-A110 PolarHBondContact O-N 3.13Å |
| 107 | M | 77.3 | Confident | 71.4 | Confident | 135 Ų | 135 | 118.3 Ų | 118.3 | 67% | 0.665 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -61.9 | -37.4 | 174.1 | -68.2 | -179.9 | 71.9 | 0 | 0 | 112.6 | Q103 A111 | Q103-M107 HydrophobicContact CG-SD 4.49Å; Q103-M107 WeakPolarHBondContact O-CG 3.36Å; Q103-M107 PolarHBondContact O-N 3.14Å; M107-A111 PolarHBondContact O-N 3.42Å |
| 108 | A | 77.8 | Confident | 68.9 | Low | 59 Ų | 59 | 121.5 Ų | 121.5 | 49% | 0.488 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -69.3 | -32.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A104 R105 E106 | A104-A108 WeakPolarHBondContact O-CB 3.28Å; A104-A108 PolarHBondContact O-N 2.92Å; A104-A108 VanDerWaalsContact O-N 3.08Å; R105-A108 PolarHBondContact O-N 3.03Å; E106-A108 VanDerWaalsContact C-N 3.32Å; E106-A108 PolarHBondContact O-N 2.97Å |
| 109 | N | 73.3 | Confident | 66.3 | Low | 94 Ų | 94 | 125.3 Ų | 125.3 | 50% | 0.503 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -76.7 | -38.6 | 175 | -68.9 | -32.6 | 0 | 0 | 0 | 112 | R105 E106 A111 Q112 | R105-N109 VanDerWaalsContact O-CG 3.27Å; R105-N109 PolarHBondContact O-N 3.35Å; R105-N109 PolarHBondContact O-ND2 3.47Å; E106-N109 PolarHBondContact O-N 3.34Å; N109-A111 PolarHBondContact O-N 2.92Å; N109-Q112 WeakPolarHBondContact O-CB 3.41Å; N109-Q112 PolarHBondContact O-N 2.84Å |
| 110 | A | 68.1 | Low | 63.5 | Low | 87 Ų | 87 | 126.7 Ų | 126.7 | 72% | 0.719 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -66.6 | -14.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E106 Q112 | E106-A110 WeakPolarHBondContact O-CB 3.3Å; E106-A110 PolarHBondContact O-N 3.13Å; A110-Q112 VanDerWaalsContact C-N 3.33Å |
| 111 | A | 59.3 | Low | 60.4 | Low | 76 Ų | 76 | 123.2 Ų | 123.2 | 63% | 0.628 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -1.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | M107 N109 | M107-A111 PolarHBondContact O-N 3.42Å; N109-A111 PolarHBondContact O-N 2.92Å |
| 112 | Q | 47.6 | Very low | 57.6 | Low | 141 Ų | 141 | 122.7 Ų | 122.7 | 66% | 0.659 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -88.2 | 122 | 168.1 | -61.1 | -62.6 | -31.4 | 0 | 0 | 109.2 | N109 A110 E114 | N109-Q112 WeakPolarHBondContact O-CB 3.41Å; N109-Q112 PolarHBondContact O-N 2.84Å; A110-Q112 VanDerWaalsContact C-N 3.33Å; Q112-E114 PolarHBondContact O-N 3.48Å |
| 113 | P | 43 | Very low | 54.9 | Low | 110 Ų | 110 | 127.4 Ų | 127.4 | 71% | 0.714 | 69% | 0.69 | S | S | * | * | trans | -69.6 | 132.6 | 175.9 | 27.7 | -32.6 | 0 | 0 | 0 | 111.3 | E115 | P113-E115 PolarHBondContact O-N 3.06Š| ||
| 114 | E | 43.9 | Very low | 51.9 | Low | 184 Ų | 184 | 128.7 Ų | 128.7 | 86% | 0.86 | 70% | 0.701 | S | S | * | * | trans | -57.3 | 95.3 | 167.4 | -71.4 | -81.4 | 163.5 | 0 | 0 | 110.8 | Q112 S116 | Q112-E114 PolarHBondContact O-N 3.48Å; E114-S116 PolarHBondContact O-N 3.44Å | ||
| 115 | E | 33.2 | Very low | 49.2 | Very low | 189 Ų | 189 | 131.9 Ų | 131.9 | 88% | 0.883 | 72% | 0.715 | S | S | * | * | trans | -96.6 | 89.4 | 171.3 | -165.1 | 172.3 | -174.6 | 0 | 0 | 110.9 | P113 | P113-E115 PolarHBondContact O-N 3.06Š| ||
| 116 | S | 33.3 | Very low | 46.9 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | trans | -118.4 | 106.1 | 164.8 | 63.8 | 0 | 0 | 0 | 0 | 110.9 | E114 | E114-S116 PolarHBondContact O-N 3.44Š| ||
| 117 | T | 33.2 | Very low | 44.1 | Very low | 145 Ų | 145 | 133.7 Ų | 133.7 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | trans | -175.1 | 154.2 | 135.4 | 18.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 118 | K | 38.8 | Very low | 41.6 | Very low | 196 Ų | 196 | 131.8 Ų | 131.8 | 85% | 0.852 | 75% | 0.747 | S | S | * | * | trans | -100.1 | 137.1 | 179.1 | -57.4 | 169.4 | 179.4 | 172 | 0 | 109.9 | ||||
| 119 | K | 36.6 | Very low | 39.3 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | 143 | 134 | 121.4 | -83.1 | -169.8 | 160.7 | -129.7 | 0 | 115.7 | |||||
| 120 | E | 32.2 | Very low | 37.4 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | 60.7 | 125.6 | 139.5 | -66.5 | 166.8 | -161.4 | 0 | 0 | 120.7 | ||||
| 121 | G | 28.5 | Very low | 36.1 | Very low | 69 Ų | 69 | 142.3 Ų | 142.3 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | 149.6 | 77.7 | 146.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 122 | V | 32.3 | Very low | 35 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | trans | 70.1 | 132.6 | 143.7 | -173.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 123 | K | 36.1 | Very low | 34.4 | Very low | 177 Ų | 177 | 148.2 Ų | 148.2 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -14.1 | 147.8 | 157.2 | -45.5 | 174.1 | 180 | 175.3 | 0 | 117.4 | ||||
| 124 | D | 30.1 | Very low | 34.5 | Very low | 148 Ų | 148 | 153.2 Ų | 153.2 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | -165.6 | 166.4 | 62 | -93.7 | -55.3 | 0 | 0 | 0 | 113.6 | |||||
| 125 | T | 33.5 | Very low | 34 | Very low | 126 Ų | 126 | 151.2 Ų | 151.2 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -93 | 147.9 | 170.9 | -31.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 126 | P | 38.8 | Very low | 34.3 | Very low | 124 Ų | 124 | 150.4 Ų | 150.4 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | -144.1 | 175.3 | 113.8 | 35.1 | -18.9 | 0 | 0 | 0 | 116.3 | |||||
| 127 | Q | 28.7 | Very low | 34.2 | Very low | 186 Ų | 186 | 155.7 Ų | 155.7 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -78.1 | 162.9 | -162.8 | -54.2 | 170.8 | -18.8 | 0 | 0 | 117.4 | ||||
| 128 | A | 25.7 | Very low | 34.1 | Very low | 96 Ų | 96 | 153.2 Ų | 153.2 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | trans | 74.2 | 120.5 | 132.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 129 | A | 29.7 | Very low | 33.7 | Very low | 95 Ų | 95 | 147.1 Ų | 147.1 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | -168.5 | 112.3 | 122.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 130 | K | 32.8 | Very low | 33.7 | Very low | 195 Ų | 195 | 148.7 Ų | 148.7 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | 49.5 | 114.2 | 95.7 | -90 | -178.9 | 178.4 | 168.8 | 0 | 116.2 | |||||
| 131 | Q | 41 | Very low | 34.1 | Very low | 170 Ų | 170 | 149.5 Ų | 149.5 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | 163.1 | 149.5 | 125.9 | -89.9 | 179.9 | 76.3 | 0 | 0 | 110.5 | |||||
| 132 | K | 35 | Very low | 34.4 | Very low | 182 Ų | 182 | 154.1 Ų | 154.1 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | cis | -162.3 | 143.2 | -23.1 | -126.2 | 176.4 | -168.8 | 171.8 | 0 | 108 | ||||
| 133 | N | 35.9 | Very low | 34.4 | Very low | 159 Ų | 159 | 150.8 Ų | 150.8 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -66.3 | 150.7 | 173.4 | -67.3 | -51.4 | 0 | 0 | 0 | 112.4 | ||||
| 134 | K | 44.4 | Very low | 34.6 | Very low | 215 Ų | 215 | 152.8 Ų | 152.8 | 94% | 0.935 | 82% | 0.824 | S | S | * | * | trans | -128.9 | 130.3 | 149.9 | -74.7 | -172 | -179.9 | 178.1 | 0 | 109.5 | ||||
| 135 | N | 33.1 | Very low | 35.1 | Very low | 143 Ų | 143 | 153.9 Ų | 153.9 | 77% | 0.765 | 82% | 0.824 | S | S | * | * | trans | -137.4 | 131.8 | -173.9 | -165.4 | 0.5 | 0 | 0 | 0 | 106.7 | ||||
| 136 | L | 39.5 | Very low | 35.4 | Very low | 172 Ų | 172 | 156.5 Ų | 156.5 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | trans | -135.1 | 130.5 | 172.2 | -76 | 177.9 | 0 | 0 | 0 | 110.2 | ||||
| 137 | K | 32.3 | Very low | 35.5 | Very low | 202 Ų | 202 | 159.4 Ų | 159.4 | 88% | 0.878 | 83% | 0.825 | S | S | * | * | trans | -79.1 | -178.7 | 170.4 | -53.8 | 175.8 | 175.3 | 175.7 | 0 | 108.6 | ||||
| 138 | A | 31.7 | Very low | 36 | Very low | 93 Ų | 93 | 159.2 Ų | 159.2 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | cis | -165.6 | 164.9 | 17 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 139 | G | 30.3 | Very low | 36.7 | Very low | 68 Ų | 68 | 163 Ų | 163 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | trans | 76.9 | 154.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 140 | H | 37 | Very low | 37.3 | Very low | 199 Ų | 199 | 170.2 Ų | 170.2 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | cis | -138.3 | 172.6 | 11.1 | -101.1 | -102.1 | 0 | 0 | 0 | 113.2 | ||||
| 141 | K | 39.2 | Very low | 37.5 | Very low | 184 Ų | 184 | 169.5 Ų | 169.5 | 80% | 0.8 | 83% | 0.828 | S | S | * | * | trans | -86.7 | 156.3 | -172.9 | -54.8 | 168.8 | -176.8 | 174.3 | 0 | 112.6 | ||||
| 142 | N | 34.8 | Very low | 37.6 | Very low | 166 Ų | 166 | 172.6 Ų | 172.6 | 89% | 0.888 | 83% | 0.833 | S | S | * | * | trans | 155.9 | 132.9 | 136.3 | -76.6 | -18.3 | 0 | 0 | 0 | 108.7 | ||||
| 143 | G | 33 | Very low | 37.8 | Very low | 67 Ų | 67 | 169.9 Ų | 169.9 | 69% | 0.691 | 83% | 0.834 | S | S | * | * | cis | 111.8 | 82.2 | 6.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 144 | K | 40.8 | Very low | 37.7 | Very low | 218 Ų | 218 | 165.8 Ų | 165.8 | 95% | 0.948 | 83% | 0.829 | S | S | * | * | trans | -168.7 | 154.4 | 151.2 | -105.8 | 154.5 | -168.2 | -179.9 | 0 | 112.7 | ||||
| 145 | Q | 40.5 | Very low | 37.4 | Very low | 171 Ų | 171 | 162.5 Ų | 162.5 | 80% | 0.799 | 83% | 0.827 | S | S | * | * | trans | -110.9 | 154.3 | -171.6 | -54.5 | 164.9 | -23.9 | 0 | 0 | 110.5 | ||||
| 146 | K | 39.4 | Very low | 37.3 | Very low | 182 Ų | 182 | 158.9 Ų | 158.9 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | 166.4 | 134.2 | 111.7 | -93.5 | 173.9 | -179.5 | 175.4 | 0 | 113.8 | |||||
| 147 | K | 39.9 | Very low | 37.4 | Very low | 184 Ų | 184 | 159 Ų | 159 | 80% | 0.8 | 83% | 0.825 | S | S | * | * | trans | 13.7 | 133 | 138.9 | -56.2 | 179.3 | 178 | -178.5 | 0 | 118 | ||||
| 148 | M | 39.9 | Very low | 37.7 | Very low | 183 Ų | 183 | 159.2 Ų | 159.2 | 90% | 0.901 | 83% | 0.826 | S | S | * | * | -148.1 | 142.1 | 103.5 | -88.8 | -45.7 | 170.1 | 0 | 0 | 112.9 | |||||
| 149 | K | 40.3 | Very low | 37.7 | Very low | 176 Ų | 176 | 158 Ų | 158 | 77% | 0.765 | 82% | 0.822 | S | S | * | * | trans | -110.4 | 128.8 | 175.4 | 168.5 | 179.1 | -177.9 | 169.4 | 0 | 106.9 | ||||
| 150 | R | 42.3 | Very low | 38.1 | Very low | 245 Ų | 245 | 160.6 Ų | 160.6 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | trans | -116.5 | 119.7 | 166.9 | -62.3 | -166.7 | 94.8 | 153.1 | 3.2 | 109.8 | ||||
| 151 | K | 37.9 | Very low | 38.3 | Very low | 180 Ų | 180 | 158.9 Ų | 158.9 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -75 | 157.6 | 173.8 | -84.8 | 178 | 166.1 | -177.2 | 0 | 110.1 | ||
| 152 | R | 42.3 | Very low | 38 | Very low | 236 Ų | 236 | 155.1 Ų | 155.1 | 89% | 0.891 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 148.8 | 160 | -56 | 167.1 | 71.5 | 174 | 4.9 | 110.5 | ||
| 153 | P | 39 | Very low | 38.3 | Very low | 124 Ų | 124 | 154.8 Ų | 154.8 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 139.5 | 142.5 | -1.2 | 21 | 0 | 0 | 0 | 109.2 | ||
| 154 | G | 35.3 | Very low | 38.5 | Very low | 73 Ų | 73 | 159 Ų | 159 | 75% | 0.753 | 83% | 0.834 | S | S | * | * | trans | -122.5 | 124.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 155 | T | 37 | Very low | 38.4 | Very low | 146 Ų | 146 | 158.8 Ų | 158.8 | 90% | 0.896 | 83% | 0.827 | S | S | * | * | trans | -152.7 | 129.9 | 171.5 | -52 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 156 | G | 31.7 | Very low | 38.1 | Very low | 67 Ų | 67 | 157.3 Ų | 157.3 | 69% | 0.691 | 83% | 0.825 | S | S | * | * | cis | -166.5 | 168.7 | -6.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 157 | N | 41.2 | Very low | 37.8 | Very low | 174 Ų | 174 | 153.9 Ų | 153.9 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | trans | -66.6 | 135.1 | 170 | -96.5 | -31.7 | 0 | 0 | 0 | 110.4 | ||||
| 158 | K | 38.2 | Very low | 37.3 | Very low | 208 Ų | 208 | 148.6 Ų | 148.6 | 90% | 0.904 | 82% | 0.822 | S | S | * | * | trans | -152.1 | 89.1 | 154.7 | -141.3 | 176.9 | -172.3 | -177.4 | 0 | 109.9 | ||||
| 159 | G | 32.3 | Very low | 37.1 | Very low | 66 Ų | 66 | 145.1 Ų | 145.1 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | trans | -75.7 | 154.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 160 | S | 37.5 | Very low | 36.9 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | trans | -169.6 | 140.4 | 144.8 | -96.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 161 | N | 41 | Very low | 36.9 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | trans | -67.9 | 149.8 | -179 | -56.1 | -75 | 0 | 0 | 0 | 112.3 | ||||
| 162 | A | 34.1 | Very low | 36.9 | Very low | 104 Ų | 104 | 143 Ų | 143 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -139.4 | 105.3 | 151.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 163 | L | 41.4 | Very low | 37.2 | Very low | 160 Ų | 160 | 140 Ų | 140 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | trans | -70.9 | 151.2 | 166.9 | -67 | 163.8 | 0 | 0 | 0 | 109.5 | ||||
| 164 | L | 37.6 | Very low | 37.3 | Very low | 156 Ų | 156 | 137.3 Ų | 137.3 | 82% | 0.817 | 82% | 0.818 | S | S | * | * | trans | 165.3 | 101.6 | 138.5 | -87.6 | 164.6 | 0 | 0 | 0 | 106.7 | ||||
| 165 | R | 36.8 | Very low | 37.8 | Very low | 213 Ų | 213 | 142.8 Ų | 142.8 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | 86.6 | 118.8 | 87.9 | -116.2 | -169.1 | 173.9 | -161.2 | -2.1 | 112.7 | |||||
| 166 | N | 35.6 | Very low | 37.9 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 75% | 0.749 | 82% | 0.816 | S | S | * | * | trans | 47.6 | 145.4 | 135.2 | -66.5 | 34.7 | 0 | 0 | 0 | 120 | ||||
| 167 | S | 33.2 | Very low | 38.6 | Very low | 109 Ų | 109 | 148 Ų | 148 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | cis | -178.1 | 153.3 | -1.6 | 41.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 168 | G | 29.1 | Very low | 39.2 | Very low | 74 Ų | 74 | 146.6 Ų | 146.6 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | trans | 81.1 | 157.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 169 | S | 34.4 | Very low | 39.6 | Very low | 109 Ų | 109 | 146.2 Ų | 146.2 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | cis | -168.7 | 163.8 | -7.4 | 45.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 170 | Q | 38 | Very low | 40.8 | Very low | 192 Ų | 192 | 150.2 Ų | 150.2 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | trans | 76 | 136.2 | 170.5 | -60.3 | -168.3 | -57.6 | 0 | 0 | 118 | ||||
| 171 | E | 41.7 | Very low | 41.9 | Very low | 179 Ų | 179 | 151 Ų | 151 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -76.1 | 150.5 | 169.2 | -51.3 | -179.9 | 154.5 | 0 | 0 | 109.4 | ||||
| 172 | E | 36.9 | Very low | 42.7 | Very low | 185 Ų | 185 | 151.9 Ų | 151.9 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -156.3 | 135.6 | 149.5 | -88.6 | -53 | 149.5 | 0 | 0 | 107.1 | G174 | E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 2.98Å | ||
| 173 | D | 48.7 | Very low | 44.4 | Very low | 174 Ų | 174 | 149.5 Ų | 149.5 | 93% | 0.93 | 77% | 0.773 | S | S | * | * | trans | -68.2 | 82.3 | -177.8 | -93.4 | -74.4 | 0 | 0 | 0 | 112.4 | K175 | D173-K175 PolarHBondContact O-N 3.16Š| ||
| 174 | G | 40.8 | Very low | 46.1 | Very low | 68 Ų | 68 | 145.1 Ų | 145.1 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | -90.9 | 82.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E172 | E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 2.98Å | ||
| 175 | K | 46.6 | Very low | 47.9 | Very low | 187 Ų | 187 | 143 Ų | 143 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | trans | -36.6 | 125.4 | 165.1 | 179.4 | 177.6 | -176.1 | 173 | 0 | 110.9 | D173 K177 | D173-K175 PolarHBondContact O-N 3.16Å; K175-K177 PolarHBondContact O-N 3.4Å | ||
| 176 | P | 39.7 | Very low | 49.6 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 81% | 0.805 | 73% | 0.732 | S | S | * | * | trans | -65.4 | 101.7 | -173.7 | 25.3 | -33.7 | 0 | 0 | 0 | 110.3 | E178 | P176-E178 PolarHBondContact O-N 3.17Š| ||
| 177 | K | 45.6 | Very low | 51.6 | Low | 198 Ų | 198 | 133.3 Ų | 133.3 | 86% | 0.861 | 71% | 0.713 | S | S | * | * | trans | -67.9 | 98.8 | 168.6 | -76.1 | -178.1 | 178.3 | 174.3 | 0 | 107.7 | K175 K179 | K175-K177 PolarHBondContact O-N 3.4Å; K177-K179 PolarHBondContact O-N 3.21Å | ||
| 178 | E | 54.1 | Low | 53.7 | Low | 146 Ų | 146 | 129.6 Ų | 129.6 | 68% | 0.682 | 68% | 0.684 | S | S | * | * | trans | -43.7 | 111.9 | 168.3 | -174.1 | -171.7 | 127.6 | 0 | 0 | 109 | P176 Q180 | P176-E178 PolarHBondContact O-N 3.17Å; E178-Q180 HydrophobicContact CG-CG 4.09Å; E178-Q180 PolarHBondContact O-N 2.69Å; E178-Q180 WeakPolarHBondContact OE1-CG 3.34Å; E178-Q180 PolarHBondContact OE1-NE2 2.71Å | ||
| 179 | K | 46.4 | Very low | 56.1 | Low | 200 Ų | 200 | 131.1 Ų | 131.1 | 87% | 0.87 | 68% | 0.675 | S | S | * | * | trans | -73 | 76.6 | 173.3 | -75 | -177.3 | 179.2 | 175.7 | 0 | 108.2 | K177 Q181 | K177-K179 PolarHBondContact O-N 3.21Å; K179-Q181 PolarHBondContact O-N 3.36Å | ||
| 180 | Q | 57.9 | Low | 58.2 | Low | 150 Ų | 150 | 132.1 Ų | 132.1 | 70% | 0.701 | 67% | 0.667 | S | S | * | * | trans | -54.6 | 111.5 | 169.4 | -75.4 | -171.2 | -11.4 | 0 | 0 | 107.9 | E178 H182 | E178-Q180 HydrophobicContact CG-CG 4.09Å; E178-Q180 PolarHBondContact O-N 2.69Å; E178-Q180 WeakPolarHBondContact OE1-CG 3.34Å; E178-Q180 PolarHBondContact OE1-NE2 2.71Å; Q180-H182 PolarHBondContact O-N 2.85Å | ||
| 181 | Q | 59.8 | Low | 60.1 | Low | 140 Ų | 140 | 124.5 Ų | 124.5 | 65% | 0.654 | 63% | 0.631 | S | S | * | * | trans | -59.8 | 111 | 173.1 | -66.5 | 176.7 | -9.7 | 0 | 0 | 106 | K179 L183 | K179-Q181 PolarHBondContact O-N 3.36Å; Q181-L183 PolarHBondContact O-N 2.76Å | ||
| 182 | H | 57.8 | Low | 62.1 | Low | 182 Ų | 182 | 116.4 Ų | 116.4 | 84% | 0.843 | 59% | 0.594 | S | S | * | * | trans | -68.5 | 77.9 | -171.6 | -174.4 | -88.8 | 0 | 0 | 0 | 110.9 | Q180 | Q180-H182 PolarHBondContact O-N 2.85Š| ||
| 183 | L | 69.6 | Low | 64.2 | Low | 53 Ų | 53 | 110.1 Ų | 110.1 | 28% | 0.277 | 57% | 0.568 | S | S | . | * | trans | -61.9 | 138.9 | 166.3 | -67.5 | 166.9 | 0 | 0 | 0 | 107.4 | Q181 Q185 F187 I188 K216 F217 | Q181-L183 PolarHBondContact O-N 2.76Å; L183-Q185 PolarHBondContact O-N 3.03Å; L183-F187 HydrophobicContact CB-CD1 4.26Å; L183-F187 HydrophobicContact CD1-CD1 4.24Å; L183-F187 HydrophobicContact CD1-CE1 4.26Å; L183-F187 HydrophobicContact CD2-CD1 3.97Å; L183-F187 HydrophobicContact CD2-CE1 4.09Å; L183-F187 HydrophobicContact CG-CD1 4.39Å; L183-I188 HydrophobicContact CB-CD1 4.32Å; L183-I188 HydrophobicContact CB-CG1 4.09Å; L183-K216 HydrophobicContact CD1-CD 4.38Å; L183-F217 HydrophobicContact CD1-CE1 4.38Å; L183-F217 HydrophobicContact CD1-CZ 4.49Å | ||
| 184 | S | 77.5 | Confident | 65.6 | Low | 69 Ų | 69 | 107.5 Ų | 107.5 | 48% | 0.483 | 55% | 0.551 | S | S | . | * | trans | -61 | 140.1 | 178.2 | 60 | 0 | 0 | 0 | 0 | 110.2 | A186 F187 I188 | S184-A186 PolarHBondContact O-N 2.85Å; S184-F187 WeakPolarHBondContact O-CA 3.42Å; S184-F187 WeakPolarHBondContact O-CB 3.5Å; S184-F187 PolarHBondContact O-N 3.4Å; S184-F187 WeakPolarHBondContact OG-CB 3.48Å; S184-F187 PolarHBondContact OG-N 2.82Å; S184-I188 PolarHBondContact O-N 2.92Å; S184-I188 VanDerWaalsContact O-N 3.13Å | ||
| 185 | Q | 75 | Confident | 67 | Low | 112 Ų | 112 | 112.3 Ų | 112.3 | 52% | 0.523 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -54.5 | -31.8 | 179.1 | -167.5 | 63.7 | 51.7 | 0 | 0 | 112 | L183 I188 N189 | L183-Q185 PolarHBondContact O-N 3.03Å; Q185-I188 PolarHBondContact O-N 2.96Å; Q185-N189 PolarHBondContact NE2-OD1 3Å; Q185-N189 WeakPolarHBondContact O-CB 3.48Å; Q185-N189 PolarHBondContact O-N 3.38Å; Q185-N189 PolarHBondContact O-OD1 3.12Å; Q185-N189 VanDerWaalsContact O-OD1 3.13Å |
| 186 | A | 73.9 | Confident | 67.8 | Low | 73 Ų | 73 | 111 Ų | 111 | 60% | 0.603 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.4 | -38.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S184 Q190 | S184-A186 PolarHBondContact O-N 2.85Å; A186-Q190 WeakPolarHBondContact O-CB 3.27Å; A186-Q190 PolarHBondContact O-N 2.68Å; A186-Q190 VanDerWaalsContact O-N 3.16Å |
| 187 | F | 77.1 | Confident | 69.4 | Low | 76 Ų | 76 | 108.1 Ų | 108.1 | 33% | 0.333 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.3 | -39 | 175.9 | 179.6 | -92.7 | 0 | 0 | 0 | 111.7 | L183 S184 H191 F217 | L183-F187 HydrophobicContact CB-CD1 4.26Å; L183-F187 HydrophobicContact CD1-CD1 4.24Å; L183-F187 HydrophobicContact CD1-CE1 4.26Å; L183-F187 HydrophobicContact CD2-CD1 3.97Å; L183-F187 HydrophobicContact CD2-CE1 4.09Å; L183-F187 HydrophobicContact CG-CD1 4.39Å; S184-F187 WeakPolarHBondContact O-CA 3.42Å; S184-F187 WeakPolarHBondContact O-CB 3.5Å; S184-F187 PolarHBondContact O-N 3.4Å; S184-F187 WeakPolarHBondContact OG-CB 3.48Å; S184-F187 PolarHBondContact OG-N 2.82Å; F187-H191 AromaticContact CD2-CD2 3.58Å; F187-H191 AromaticContact CD2-NE2 3.88Å; F187-H191 AromaticContact CE2-CD2 3.31Å; F187-H191 WeakPolarHBondContact CE2-CD2 3.43Å; F187-H191 AromaticContact CE2-NE2 3.51Å; F187-H191 AromaticContact CZ-CD2 3.59Å; F187-H191 PolarHBondContact O-CD2 2.87Å; F187-H191 PolarHBondContact O-N 2.94Å; F187-F217 HydrophobicContact CD1-CZ 4.23Å; F187-F217 HydrophobicContact CE1-CE2 4.29Å; F187-F217 AromaticContact CE1-CZ 3.84Å; F187-F217 HydrophobicContact CE1-CZ 3.84Å |
| 188 | I | 78.1 | Confident | 70.9 | Confident | 31 Ų | 31 | 103.8 Ų | 103.8 | 16% | 0.159 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -58.7 | -62.3 | 173.1 | -61.6 | 172.8 | 0 | 0 | 0 | 108.3 | L183 S184 Q185 Q190 H191 T192 Q199 | L183-I188 HydrophobicContact CB-CD1 4.32Å; L183-I188 HydrophobicContact CB-CG1 4.09Å; S184-I188 PolarHBondContact O-N 2.92Å; S184-I188 VanDerWaalsContact O-N 3.13Å; Q185-I188 PolarHBondContact O-N 2.96Å; I188-Q190 PolarHBondContact O-N 3.16Å; I188-H191 CarbonylContact O-C 3.48Å; I188-H191 PolarHBondContact O-N 3.13Å; I188-T192 HydrophobicContact CG2-CG2 4.07Å; I188-T192 WeakPolarHBondContact CG2-OG1 3.37Å; I188-T192 PolarHBondContact O-N 2.92Å; I188-T192 PolarHBondContact O-OG1 2.9Å; I188-Q199 HydrophobicContact CG2-CG 4.4Å |
| 189 | N | 78.3 | Confident | 72.1 | Confident | 106 Ų | 106 | 99.1 Ų | 99.1 | 57% | 0.567 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -57.1 | -23 | -177 | -63.5 | 2.7 | 0 | 0 | 0 | 114.8 | Q185 | Q185-N189 PolarHBondContact NE2-OD1 3Å; Q185-N189 WeakPolarHBondContact O-CB 3.48Å; Q185-N189 PolarHBondContact O-N 3.38Å; Q185-N189 PolarHBondContact O-OD1 3.12Å; Q185-N189 VanDerWaalsContact O-OD1 3.13Å |
| 190 | Q | 78.2 | Confident | 73.9 | Confident | 130 Ų | 130 | 90.1 Ų | 90.1 | 61% | 0.607 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -82.2 | -28.8 | 176.9 | -176.1 | 165.9 | 74.9 | 0 | 0 | 113.4 | A186 I188 | A186-Q190 WeakPolarHBondContact O-CB 3.27Å; A186-Q190 PolarHBondContact O-N 2.68Å; A186-Q190 VanDerWaalsContact O-N 3.16Å; I188-Q190 PolarHBondContact O-N 3.16Å |
| 191 | H | 79.2 | Confident | 75.2 | Confident | 31 Ų | 31 | 83 Ų | 83 | 14% | 0.144 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -118.7 | -4.6 | -171.9 | -63.2 | -55.5 | 0 | 0 | 0 | 114.6 | F187 I188 K202 Y203 F217 | F187-H191 AromaticContact CD2-CD2 3.58Å; F187-H191 AromaticContact CD2-NE2 3.88Å; F187-H191 AromaticContact CE2-CD2 3.31Å; F187-H191 WeakPolarHBondContact CE2-CD2 3.43Å; F187-H191 AromaticContact CE2-NE2 3.51Å; F187-H191 AromaticContact CZ-CD2 3.59Å; F187-H191 PolarHBondContact O-CD2 2.87Å; F187-H191 PolarHBondContact O-N 2.94Å; I188-H191 CarbonylContact O-C 3.48Å; I188-H191 PolarHBondContact O-N 3.13Å; H191-K202 VanDerWaalsContact O-CB 3.27Å; H191-K202 WeakPolarHBondContact O-CB 3.35Å; H191-K202 PolarHBondContact O-N 3.07Å; H191-Y203 HydrophobicContact CB-CE2 4.46Å; H191-Y203 AromaticContact CE1-CE2 3.99Å; H191-Y203 PolarHBondContact CE1-OH 3.03Å; H191-Y203 VanDerWaalsContact CE1-OH 3.25Å; H191-Y203 AromaticContact ND1-CE2 3.28Å; H191-Y203 VanDerWaalsContact ND1-CE2 3.28Å; H191-Y203 WeakPolarHBondContact ND1-CE2 3.37Å; H191-Y203 AromaticContact ND1-CZ 3.58Å; H191-Y203 PolarHBondContact ND1-OH 3.48Å; H191-Y203 VanDerWaalsContact ND1-OH 3.14Å; H191-F217 HydrophobicContact CB-CE2 3.83Å; H191-F217 HydrophobicContact CB-CZ 4.34Å |
| 192 | T | 83.4 | Confident | 76.5 | Confident | 9 Ų | 9 | 80.6 Ų | 80.6 | 6% | 0.055 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 165.8 | 174.5 | 67.7 | 0 | 0 | 0 | 0 | 112.7 | I188 Q199 I200 F217 | I188-T192 HydrophobicContact CG2-CG2 4.07Å; I188-T192 WeakPolarHBondContact CG2-OG1 3.37Å; I188-T192 PolarHBondContact O-N 2.92Å; I188-T192 PolarHBondContact O-OG1 2.9Å; T192-Q199 HydrophobicContact CG2-CB 4.16Å; T192-Q199 PolarHBondContact OG1-OE1 3.35Å; T192-I200 CarbonylContact C-O 3.58Å; T192-I200 WeakPolarHBondContact CA-O 3.46Å; T192-I200 WeakPolarHBondContact CB-O 3.35Å; T192-F217 HydrophobicContact CG2-CB 4.15Å; T192-F217 HydrophobicContact CG2-CD1 3.22Å; T192-F217 HydrophobicContact CG2-CD2 3.84Å; T192-F217 HydrophobicContact CG2-CE1 3.31Å; T192-F217 HydrophobicContact CG2-CE2 3.92Å; T192-F217 HydrophobicContact CG2-CG 3.49Å; T192-F217 VanDerWaalsContact CG2-CG 3.49Å; T192-F217 HydrophobicContact CG2-CZ 3.66Å |
| 193 | V | 80.9 | Confident | 77.7 | Confident | 53 Ų | 53 | 76.6 Ų | 76.6 | 32% | 0.321 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 126.1 | 164.6 | -179.6 | 0 | 0 | 0 | 0 | 106.9 | I200 K202 L205 | V193-I200 PolarHBondContact N-O 2.96Å; V193-I200 WeakPolarHBondContact O-CB 3.12Å; V193-I200 PolarHBondContact O-N 3.5Å; V193-K202 HydrophobicContact CG2-CB 4.37Å; V193-K202 HydrophobicContact CG2-CG 4.49Å; V193-L205 HydrophobicContact CB-CD1 4.09Å; V193-L205 HydrophobicContact CG2-CD1 4.02Å |
| 194 | E | 77.8 | Confident | 78.4 | Confident | 120 Ų | 120 | 77.6 Ų | 77.6 | 56% | 0.561 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 128.9 | 179.1 | -164.8 | 169.1 | 166.2 | 0 | 0 | 111.4 | K198 Q199 | E194-K198 WeakPolarHBondContact CA-O 3.42Å; E194-Q199 VanDerWaalsContact CD-NE2 3.29Å; E194-Q199 PolarHBondContact OE2-NE2 3.14Å |
| 195 | R | 69.4 | Low | 78.5 | Confident | 169 Ų | 169 | 78 Ų | 78 | 64% | 0.638 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 133.1 | 171.6 | -65.5 | -68.5 | -172.1 | 153.5 | -3 | 109 | G197 K198 I200 | R195-G197 PolarHBondContact O-N 3.49Å; R195-G197 VanDerWaalsContact O-N 3.12Å; R195-K198 PolarHBondContact N-O 3.05Å; R195-K198 PolarHBondContact O-N 3.22Å; R195-I200 HydrophobicContact CB-CD1 3.63Å; R195-I200 HydrophobicContact CG-CD1 3.79Å |
| 196 | K | 64.4 | Low | 78.8 | Confident | 160 Ų | 160 | 76.6 Ų | 76.6 | 70% | 0.696 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 33.9 | 179.6 | -56 | -179.3 | 176 | -178.4 | 0 | 113 | K198 E224 | K196-K198 VanDerWaalsContact C-N 3.27Å; K196-K198 PolarHBondContact O-N 3.11Å; K196-E224 IonicContact NZ-OE2 2.71Å; K196-E224 PolarHBondContact NZ-OE2 3.11Å |
| 197 | G | 72.1 | Confident | 79 | Confident | 62 Ų | 62 | 82.8 Ų | 82.8 | 64% | 0.639 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 5.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | R195 | R195-G197 PolarHBondContact O-N 3.49Å; R195-G197 VanDerWaalsContact O-N 3.12Å |
| 198 | K | 77.8 | Confident | 79.4 | Confident | 107 Ų | 107 | 85.7 Ų | 85.7 | 47% | 0.465 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 142.9 | 177.3 | -69.5 | -165.4 | 178.7 | -168.5 | 0 | 111.8 | E194 R195 K196 I200 D218 | E194-K198 WeakPolarHBondContact CA-O 3.42Å; R195-K198 PolarHBondContact N-O 3.05Å; R195-K198 PolarHBondContact O-N 3.22Å; K196-K198 VanDerWaalsContact C-N 3.27Å; K196-K198 PolarHBondContact O-N 3.11Å; K198-I200 PolarHBondContact O-N 3.48Å; K198-D218 WeakPolarHBondContact CB-OD2 3.47Å |
| 199 | Q | 80.6 | Confident | 79.7 | Confident | 49 Ų | 49 | 85.5 Ų | 85.5 | 23% | 0.229 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 86.4 | -177.1 | -69.3 | -64.4 | -22.9 | 0 | 0 | 110.2 | I188 T192 E194 D218 | I188-Q199 HydrophobicContact CG2-CG 4.4Å; T192-Q199 HydrophobicContact CG2-CB 4.16Å; T192-Q199 PolarHBondContact OG1-OE1 3.35Å; E194-Q199 VanDerWaalsContact CD-NE2 3.29Å; E194-Q199 PolarHBondContact OE2-NE2 3.14Å; Q199-D218 PolarHBondContact N-OD2 3.21Å; Q199-D218 PolarHBondContact O-N 3.09Å |
| 200 | I | 83.6 | Confident | 80 | Confident | 10 Ų | 10 | 88.5 Ų | 88.5 | 5% | 0.051 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 139.2 | -175.5 | -64 | 163.3 | 0 | 0 | 0 | 110.6 | T192 V193 R195 K198 K202 L205 D218 A221 | T192-I200 CarbonylContact C-O 3.58Å; T192-I200 WeakPolarHBondContact CA-O 3.46Å; T192-I200 WeakPolarHBondContact CB-O 3.35Å; V193-I200 PolarHBondContact N-O 2.96Å; V193-I200 WeakPolarHBondContact O-CB 3.12Å; V193-I200 PolarHBondContact O-N 3.5Å; R195-I200 HydrophobicContact CB-CD1 3.63Å; R195-I200 HydrophobicContact CG-CD1 3.79Å; K198-I200 PolarHBondContact O-N 3.48Å; I200-K202 PolarHBondContact O-N 3.38Å; I200-L205 HydrophobicContact CG2-CD1 4.1Å; I200-L205 HydrophobicContact CG2-CD2 4Å; I200-L205 HydrophobicContact CG2-CG 3.88Å; I200-D218 VanDerWaalsContact CA-O 3.3Å; I200-D218 WeakPolarHBondContact CA-O 3.39Å; I200-D218 HydrophobicContact CG1-CB 4.44Å; I200-A221 HydrophobicContact CD1-CB 3.67Å; I200-A221 HydrophobicContact CG1-CB 4.07Å; I200-A221 HydrophobicContact CG2-CB 3.85Å |
| 201 | C | 85.6 | Confident | 80.2 | Confident | 2 Ų | 2 | 87.5 Ų | 87.5 | 1% | 0.014 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 122.2 | 175.4 | -170.6 | 0 | 0 | 0 | 0 | 112.4 | Y203 F204 L205 C215 F217 D218 | C201-Y203 VanDerWaalsContact C-N 3.3Å; C201-Y203 PolarHBondContact O-N 3.49Å; C201-F204 HydrophobicContact CB-CB 3.75Å; C201-F204 WeakPolarHBondContact O-CB 3.26Å; C201-F204 PolarHBondContact O-N 3.33Å; C201-L205 PolarHBondContact O-N 3.31Å; C201-C215 VanDerWaalsContact SG-SG 3.69Å; C201-F217 HydrophobicContact CB-CB 3.81Å; C201-F217 HydrophobicContact CB-CD2 4.43Å; C201-D218 PolarHBondContact N-O 2.91Å |
| 202 | K | 85.9 | Confident | 80.1 | Confident | 88 Ų | 88 | 87.4 Ų | 87.4 | 38% | 0.383 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -57.9 | -40.9 | 175 | -177.7 | 178.4 | 176.1 | 178.8 | 0 | 112.4 | H191 V193 I200 F204 L205 E206 | H191-K202 VanDerWaalsContact O-CB 3.27Å; H191-K202 WeakPolarHBondContact O-CB 3.35Å; H191-K202 PolarHBondContact O-N 3.07Å; V193-K202 HydrophobicContact CG2-CB 4.37Å; V193-K202 HydrophobicContact CG2-CG 4.49Å; I200-K202 PolarHBondContact O-N 3.38Å; K202-F204 VanDerWaalsContact C-N 3.26Å; K202-F204 PolarHBondContact O-N 3.34Å; K202-L205 PolarHBondContact O-N 2.86Å; K202-E206 PolarHBondContact O-N 2.98Å |
| 203 | Y | 83.9 | Confident | 79.8 | Confident | 99 Ų | 99 | 94.8 Ų | 94.8 | 39% | 0.388 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.9 | -22.4 | 178 | -59.7 | -64.8 | 0 | 0 | 0 | 113.3 | H191 C201 R207 K208 C209 | H191-Y203 HydrophobicContact CB-CE2 4.46Å; H191-Y203 AromaticContact CE1-CE2 3.99Å; H191-Y203 PolarHBondContact CE1-OH 3.03Å; H191-Y203 VanDerWaalsContact CE1-OH 3.25Å; H191-Y203 AromaticContact ND1-CE2 3.28Å; H191-Y203 VanDerWaalsContact ND1-CE2 3.28Å; H191-Y203 WeakPolarHBondContact ND1-CE2 3.37Å; H191-Y203 AromaticContact ND1-CZ 3.58Å; H191-Y203 PolarHBondContact ND1-OH 3.48Å; H191-Y203 VanDerWaalsContact ND1-OH 3.14Å; C201-Y203 VanDerWaalsContact C-N 3.3Å; C201-Y203 PolarHBondContact O-N 3.49Å; Y203-R207 PolarHBondContact O-N 2.99Å; Y203-K208 CarbonylContact O-C 3.56Å; Y203-K208 PolarHBondContact O-N 3.36Å; Y203-C209 PolarHBondContact O-N 3.49Å |
| 204 | F | 82.8 | Confident | 79.7 | Confident | 74 Ų | 74 | 100.7 Ų | 100.7 | 33% | 0.325 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -73.5 | -43 | 174.5 | 178.7 | -99.3 | 0 | 0 | 0 | 111.1 | C201 K202 E206 R207 C209 H219 A221 | C201-F204 HydrophobicContact CB-CB 3.75Å; C201-F204 WeakPolarHBondContact O-CB 3.26Å; C201-F204 PolarHBondContact O-N 3.33Å; K202-F204 VanDerWaalsContact C-N 3.26Å; K202-F204 PolarHBondContact O-N 3.34Å; F204-E206 PolarHBondContact O-N 2.82Å; F204-R207 WeakPolarHBondContact O-CA 3.48Å; F204-R207 PolarHBondContact O-N 2.82Å; F204-C209 HydrophobicContact CB-CB 4.15Å; F204-H219 VanDerWaalsContact CB-CD2 3.47Å; F204-H219 WeakPolarHBondContact CB-CD2 3.41Å; F204-H219 HydrophobicContact CD1-CB 4.28Å; F204-H219 HydrophobicContact CD2-CB 3.84Å; F204-H219 AromaticContact CD2-CD2 3.64Å; F204-H219 AromaticContact CD2-CE1 3.7Å; F204-H219 AromaticContact CD2-CG 3.38Å; F204-H219 AromaticContact CD2-ND1 3.44Å; F204-H219 WeakPolarHBondContact CD2-ND1 3.35Å; F204-H219 AromaticContact CD2-NE2 3.83Å; F204-H219 HydrophobicContact CE1-CB 4.21Å; F204-H219 WeakPolarHBondContact CE1-O 3.5Å; F204-H219 HydrophobicContact CE2-CB 3.74Å; F204-H219 AromaticContact CE2-CG 3.77Å; F204-H219 AromaticContact CE2-ND1 3.84Å; F204-H219 HydrophobicContact CG-CB 4.1Å; F204-H219 AromaticContact CG-CD2 3.52Å; F204-H219 AromaticContact CG-CG 3.68Å; F204-H219 AromaticContact CG-NE2 3.91Å; F204-H219 HydrophobicContact CZ-CB 3.93Å; F204-H219 VanDerWaalsContact CZ-O 3.24Å; F204-H219 WeakPolarHBondContact CZ-O 3.41Å; F204-A221 HydrophobicContact CE1-CB 4.42Å |
| 205 | L | 79.8 | Confident | 80 | Confident | 77 Ų | 77 | 96.1 Ų | 96.1 | 40% | 0.403 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -57.4 | -34.9 | 171.2 | -63.1 | 173.6 | 0 | 0 | 0 | 112.1 | V193 I200 C201 K202 R207 A221 I223 | V193-L205 HydrophobicContact CB-CD1 4.09Å; V193-L205 HydrophobicContact CG2-CD1 4.02Å; I200-L205 HydrophobicContact CG2-CD1 4.1Å; I200-L205 HydrophobicContact CG2-CD2 4Å; I200-L205 HydrophobicContact CG2-CG 3.88Å; C201-L205 PolarHBondContact O-N 3.31Å; K202-L205 PolarHBondContact O-N 2.86Å; L205-R207 VanDerWaalsContact C-N 3.32Å; L205-A221 HydrophobicContact CD2-CB 4.46Å; L205-I223 HydrophobicContact CD2-CD1 4.1Å |
| 206 | E | 82.1 | Confident | 80.6 | Confident | 83 Ų | 83 | 93.8 Ų | 93.8 | 39% | 0.388 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -1.5 | 173.3 | -67.4 | -174.9 | -143.4 | 0 | 0 | 114.7 | K202 F204 K208 | K202-E206 PolarHBondContact O-N 2.98Å; F204-E206 PolarHBondContact O-N 2.82Å; E206-K208 HydrophobicContact CB-CD 4.1Å; E206-K208 HydrophobicContact CB-CG 4.28Å; E206-K208 PolarHBondContact O-N 2.65Å; E206-K208 WeakPolarHBondContact OE2-CE 3.28Å; E206-K208 IonicContact OE2-NZ 2.69Å; E206-K208 PolarHBondContact OE2-NZ 2.67Å |
| 207 | R | 77.6 | Confident | 81.3 | Confident | 202 Ų | 202 | 87.3 Ų | 87.3 | 76% | 0.762 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 27.5 | -170.6 | -61.2 | -171 | 177.1 | -167.1 | -3.2 | 114.9 | Y203 F204 L205 N243 | Y203-R207 PolarHBondContact O-N 2.99Å; F204-R207 WeakPolarHBondContact O-CA 3.48Å; F204-R207 PolarHBondContact O-N 2.82Å; L205-R207 VanDerWaalsContact C-N 3.32Å; R207-N243 PolarHBondContact NH2-OD1 3.18Å; R207-N243 VanDerWaalsContact NH2-OD1 3.17Å |
| 208 | K | 85.5 | Confident | 81.7 | Confident | 137 Ų | 137 | 87.4 Ų | 87.4 | 60% | 0.596 | 41% | 0.412 | S | S | * | . | trans | -107.5 | 3.5 | 177.8 | -64.3 | 169.9 | -163.6 | 162.3 | 0 | 113.3 | Y203 E206 I210 | Y203-K208 CarbonylContact O-C 3.56Å; Y203-K208 PolarHBondContact O-N 3.36Å; E206-K208 HydrophobicContact CB-CD 4.1Å; E206-K208 HydrophobicContact CB-CG 4.28Å; E206-K208 PolarHBondContact O-N 2.65Å; E206-K208 WeakPolarHBondContact OE2-CE 3.28Å; E206-K208 IonicContact OE2-NZ 2.69Å; E206-K208 PolarHBondContact OE2-NZ 2.67Å; K208-I210 PolarHBondContact O-N 3.01Å | ||
| 209 | C | 84.8 | Confident | 81.6 | Confident | 27 Ų | 27 | 83.4 Ų | 83.4 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | trans | -72 | 102.1 | -178 | -166.4 | 0 | 0 | 0 | 0 | 111.4 | Y203 F204 K211 H219 | Y203-C209 PolarHBondContact O-N 3.49Å; F204-C209 HydrophobicContact CB-CB 4.15Å; C209-K211 PolarHBondContact O-N 2.98Å; C209-H219 PolarHBondContact SG-CE1 2.85Å; C209-H219 PolarHBondContact SG-NE2 3.44Å | ||
| 210 | I | 84.4 | Confident | 80.8 | Confident | 170 Ų | 170 | 87.4 Ų | 87.4 | 87% | 0.872 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -9.6 | 175.5 | 61.4 | 172 | 0 | 0 | 0 | 114.2 | K208 | K208-I210 PolarHBondContact O-N 3.01Š|
| 211 | K | 81.8 | Confident | 79.6 | Confident | 108 Ų | 108 | 87.8 Ų | 87.8 | 47% | 0.47 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -17.9 | -175.8 | -62.8 | -175.9 | 179.6 | 179.4 | 0 | 113.3 | C209 D213 Q214 C215 | C209-K211 PolarHBondContact O-N 2.98Å; K211-D213 PolarHBondContact O-N 2.96Å; K211-Q214 WeakPolarHBondContact O-CB 3.14Å; K211-Q214 PolarHBondContact O-N 3.49Å; K211-C215 HydrophobicContact CB-CB 3.96Å |
| 212 | G | 77.6 | Confident | 78.3 | Confident | 29 Ų | 29 | 95.2 Ų | 95.2 | 30% | 0.299 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | 47.1 | -135.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q214 C215 H219 | G212-Q214 PolarHBondContact O-N 3.41Å; G212-Q214 VanDerWaalsContact O-N 3.1Å; G212-C215 WeakPolarHBondContact O-CB 3.44Å; G212-C215 PolarHBondContact O-N 3.29Å; G212-C215 VanDerWaalsContact O-N 3.09Å; G212-H219 PolarHBondContact O-CE1 3.45Å; G212-H219 PolarHBondContact O-ND1 3.15Å |
| 213 | D | 76.8 | Confident | 76.9 | Confident | 164 Ų | 164 | 95.2 Ų | 95.2 | 88% | 0.877 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -71.1 | -6.5 | -175.8 | -39.5 | -45.4 | 0 | 0 | 0 | 113.4 | K211 C215 | K211-D213 PolarHBondContact O-N 2.96Å; D213-C215 VanDerWaalsContact C-N 3.3Å |
| 214 | Q | 79.8 | Confident | 75.8 | Confident | 178 Ų | 178 | 94.6 Ų | 94.6 | 83% | 0.832 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -91.1 | 14.5 | 171.8 | -55.3 | -176.6 | 10.3 | 0 | 0 | 112.9 | K211 G212 | K211-Q214 WeakPolarHBondContact O-CB 3.14Å; K211-Q214 PolarHBondContact O-N 3.49Å; G212-Q214 PolarHBondContact O-N 3.41Å; G212-Q214 VanDerWaalsContact O-N 3.1Å |
| 215 | C | 83.8 | Confident | 74.7 | Confident | 23 Ų | 23 | 96.7 Ų | 96.7 | 16% | 0.155 | 47% | 0.47 | C | S | . | . | trans | -70.3 | 144 | 173.9 | -159.5 | 0 | 0 | 0 | 0 | 111.1 | C201 K211 G212 D213 F217 H219 | C201-C215 VanDerWaalsContact SG-SG 3.69Å; K211-C215 HydrophobicContact CB-CB 3.96Å; G212-C215 WeakPolarHBondContact O-CB 3.44Å; G212-C215 PolarHBondContact O-N 3.29Å; G212-C215 VanDerWaalsContact O-N 3.09Å; D213-C215 VanDerWaalsContact C-N 3.3Å; C215-F217 PolarHBondContact O-N 2.9Å; C215-H219 WeakPolarHBondContact CB-CE1 3.5Å; C215-H219 WeakPolarHBondContact CB-NE2 3.37Å; C215-H219 PolarHBondContact SG-NE2 2.92Å; C215-H219 VanDerWaalsContact SG-NE2 3.38Å | ||
| 216 | K | 81.6 | Confident | 74 | Confident | 121 Ų | 121 | 97.4 Ų | 97.4 | 53% | 0.526 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -78.7 | 8.8 | 175.9 | -61.8 | -163.2 | 175.6 | -165.8 | 0 | 113.5 | L183 | L183-K216 HydrophobicContact CD1-CD 4.38Š|
| 217 | F | 80.4 | Confident | 73.4 | Confident | 24 Ų | 24 | 96.9 Ų | 96.9 | 11% | 0.105 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -141.9 | 145.4 | -168.6 | -57.9 | -50.5 | 0 | 0 | 0 | 107.8 | L183 F187 H191 T192 C201 C215 H219 | L183-F217 HydrophobicContact CD1-CE1 4.38Å; L183-F217 HydrophobicContact CD1-CZ 4.49Å; F187-F217 HydrophobicContact CD1-CZ 4.23Å; F187-F217 HydrophobicContact CE1-CE2 4.29Å; F187-F217 AromaticContact CE1-CZ 3.84Å; F187-F217 HydrophobicContact CE1-CZ 3.84Å; H191-F217 HydrophobicContact CB-CE2 3.83Å; H191-F217 HydrophobicContact CB-CZ 4.34Å; T192-F217 HydrophobicContact CG2-CB 4.15Å; T192-F217 HydrophobicContact CG2-CD1 3.22Å; T192-F217 HydrophobicContact CG2-CD2 3.84Å; T192-F217 HydrophobicContact CG2-CE1 3.31Å; T192-F217 HydrophobicContact CG2-CE2 3.92Å; T192-F217 HydrophobicContact CG2-CG 3.49Å; T192-F217 VanDerWaalsContact CG2-CG 3.49Å; T192-F217 HydrophobicContact CG2-CZ 3.66Å; C201-F217 HydrophobicContact CB-CB 3.81Å; C201-F217 HydrophobicContact CB-CD2 4.43Å; C215-F217 PolarHBondContact O-N 2.9Å; F217-H219 PolarHBondContact O-CD2 3.46Å; F217-H219 PolarHBondContact O-N 3.19Å |
| 218 | D | 80.1 | Confident | 73.4 | Confident | 63 Ų | 63 | 92.1 Ų | 92.1 | 34% | 0.337 | 45% | 0.453 | S | S | . | . | B | Isolated β-bridge | trans | -60.1 | 129 | -170.9 | -65.6 | -50.1 | 0 | 0 | 0 | 111.3 | K198 Q199 I200 C201 | K198-D218 WeakPolarHBondContact CB-OD2 3.47Å; Q199-D218 PolarHBondContact N-OD2 3.21Å; Q199-D218 PolarHBondContact O-N 3.09Å; I200-D218 VanDerWaalsContact CA-O 3.3Å; I200-D218 WeakPolarHBondContact CA-O 3.39Å; I200-D218 HydrophobicContact CG1-CB 4.44Å; C201-D218 PolarHBondContact N-O 2.91Å |
| 219 | H | 74.9 | Confident | 73.3 | Confident | 24 Ų | 24 | 88.2 Ų | 88.2 | 11% | 0.111 | 44% | 0.437 | C | S | . | . | trans | -99.5 | -16.4 | 166 | -73.7 | -173.3 | 0 | 0 | 0 | 111.4 | F204 C209 G212 C215 F217 A221 | F204-H219 VanDerWaalsContact CB-CD2 3.47Å; F204-H219 WeakPolarHBondContact CB-CD2 3.41Å; F204-H219 HydrophobicContact CD1-CB 4.28Å; F204-H219 HydrophobicContact CD2-CB 3.84Å; F204-H219 AromaticContact CD2-CD2 3.64Å; F204-H219 AromaticContact CD2-CE1 3.7Å; F204-H219 AromaticContact CD2-CG 3.38Å; F204-H219 AromaticContact CD2-ND1 3.44Å; F204-H219 WeakPolarHBondContact CD2-ND1 3.35Å; F204-H219 AromaticContact CD2-NE2 3.83Å; F204-H219 HydrophobicContact CE1-CB 4.21Å; F204-H219 WeakPolarHBondContact CE1-O 3.5Å; F204-H219 HydrophobicContact CE2-CB 3.74Å; F204-H219 AromaticContact CE2-CG 3.77Å; F204-H219 AromaticContact CE2-ND1 3.84Å; F204-H219 HydrophobicContact CG-CB 4.1Å; F204-H219 AromaticContact CG-CD2 3.52Å; F204-H219 AromaticContact CG-CG 3.68Å; F204-H219 AromaticContact CG-NE2 3.91Å; F204-H219 HydrophobicContact CZ-CB 3.93Å; F204-H219 VanDerWaalsContact CZ-O 3.24Å; F204-H219 WeakPolarHBondContact CZ-O 3.41Å; C209-H219 PolarHBondContact SG-CE1 2.85Å; C209-H219 PolarHBondContact SG-NE2 3.44Å; G212-H219 PolarHBondContact O-CE1 3.45Å; G212-H219 PolarHBondContact O-ND1 3.15Å; C215-H219 WeakPolarHBondContact CB-CE1 3.5Å; C215-H219 WeakPolarHBondContact CB-NE2 3.37Å; C215-H219 PolarHBondContact SG-NE2 2.92Å; C215-H219 VanDerWaalsContact SG-NE2 3.38Å; F217-H219 PolarHBondContact O-CD2 3.46Å; F217-H219 PolarHBondContact O-N 3.19Å; H219-A221 PolarHBondContact O-N 3.35Å | ||
| 220 | D | 63.9 | Low | 73.4 | Confident | 132 Ų | 132 | 87 Ų | 87 | 71% | 0.706 | 43% | 0.429 | S | S | * | . | trans | -73.5 | 51.3 | 162.4 | -69.1 | -24.3 | 0 | 0 | 0 | 111.5 | E222 | D220-E222 PolarHBondContact O-N 2.9Š| ||
| 221 | A | 58.4 | Low | 73.4 | Confident | 18 Ų | 18 | 86.3 Ų | 86.3 | 15% | 0.149 | 42% | 0.42 | C | S | . | . | trans | -61.5 | 83.8 | 136.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | I200 F204 L205 H219 I223 | I200-A221 HydrophobicContact CD1-CB 3.67Å; I200-A221 HydrophobicContact CG1-CB 4.07Å; I200-A221 HydrophobicContact CG2-CB 3.85Å; F204-A221 HydrophobicContact CE1-CB 4.42Å; L205-A221 HydrophobicContact CD2-CB 4.46Å; H219-A221 PolarHBondContact O-N 3.35Å; A221-I223 HydrophobicContact CB-CD1 4.48Å; A221-I223 HydrophobicContact CB-CG1 3.76Å; A221-I223 PolarHBondContact O-N 3.36Å | ||
| 222 | E | 58.1 | Low | 73.7 | Confident | 159 Ų | 159 | 86.6 Ų | 86.6 | 74% | 0.743 | 42% | 0.421 | S | S | * | . | trans | -55 | 82.1 | 141.5 | -172.4 | 84.7 | -111.8 | 0 | 0 | 105.2 | D220 E224 | D220-E222 PolarHBondContact O-N 2.9Å; E222-E224 PolarHBondContact O-N 2.89Å | ||
| 223 | I | 57.4 | Low | 74.2 | Confident | 87 Ų | 87 | 88.3 Ų | 88.3 | 45% | 0.446 | 42% | 0.419 | S | S | . | . | trans | -71.2 | 72.9 | 164.6 | -51 | 172.7 | 0 | 0 | 0 | 103.2 | L205 A221 K225 L245 | L205-I223 HydrophobicContact CD2-CD1 4.1Å; A221-I223 HydrophobicContact CB-CD1 4.48Å; A221-I223 HydrophobicContact CB-CG1 3.76Å; A221-I223 PolarHBondContact O-N 3.36Å; I223-K225 PolarHBondContact O-N 2.87Å; I223-L245 HydrophobicContact CD1-CD2 4.45Å; I223-L245 HydrophobicContact CG2-CD2 3.93Å | ||
| 224 | E | 60.2 | Low | 74.6 | Confident | 86 Ų | 86 | 82.5 Ų | 82.5 | 40% | 0.402 | 39% | 0.39 | S | S | . | . | trans | -39.6 | 108.4 | 177.7 | 176.9 | -179.1 | -175.9 | 0 | 0 | 105.4 | K196 E222 K226 K227 | K196-E224 IonicContact NZ-OE2 2.71Å; K196-E224 PolarHBondContact NZ-OE2 3.11Å; E222-E224 PolarHBondContact O-N 2.89Å; E224-K226 PolarHBondContact O-N 2.97Å; E224-K227 WeakPolarHBondContact OE1-CE 3.21Å; E224-K227 IonicContact OE1-NZ 2.65Å | ||
| 225 | K | 60.8 | Low | 74.9 | Confident | 118 Ų | 118 | 79.8 Ų | 79.8 | 51% | 0.513 | 38% | 0.377 | S | S | . | . | trans | -48 | 115.3 | -174.7 | -74.3 | 177.1 | 177.3 | 177.1 | 0 | 104.5 | I223 K227 L247 | I223-K225 PolarHBondContact O-N 2.87Å; K225-K227 PolarHBondContact O-N 3.25Å; K225-L247 HydrophobicContact CB-CD2 4.47Å | ||
| 226 | K | 64 | Low | 75.1 | Confident | 93 Ų | 93 | 81.9 Ų | 81.9 | 40% | 0.404 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.9 | 124.8 | -174.3 | -82.9 | 179.3 | 137.4 | -136 | 0 | 105 | E224 E228 L245 Y246 | E224-K226 PolarHBondContact O-N 2.97Å; K226-E228 HydrophobicContact CB-CB 4.28Å; K226-E228 IonicContact NZ-OE1 2.67Å; K226-E228 IonicContact NZ-OE2 3.79Å; K226-E228 PolarHBondContact NZ-OE2 3.07Å; K226-E228 PolarHBondContact O-N 3.49Å; K226-E228 VanDerWaalsContact O-O 3.14Å; K226-L245 WeakPolarHBondContact CB-O 3.48Å; K226-L245 PolarHBondContact N-O 2.95Å; K226-Y246 HydrophobicContact CB-CD1 4.02Å; K226-Y246 HydrophobicContact CB-CE1 4.2Å; K226-Y246 HydrophobicContact CD-CD1 4.13Å; K226-Y246 HydrophobicContact CD-CE1 3.51Å; K226-Y246 PolarHBondContact NZ-OH 3.38Å |
| 227 | K | 70.2 | Confident | 75.4 | Confident | 72 Ų | 72 | 81.8 Ų | 81.8 | 31% | 0.313 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 33.2 | -177.1 | -51.2 | -166 | -171.1 | -168.9 | 0 | 111.7 | E224 K225 E278 L282 | E224-K227 WeakPolarHBondContact OE1-CE 3.21Å; E224-K227 IonicContact OE1-NZ 2.65Å; K225-K227 PolarHBondContact O-N 3.25Å; K227-E278 IonicContact NZ-OE2 2.61Å; K227-E278 PolarHBondContact NZ-OE2 3.02Å; K227-L282 HydrophobicContact CB-CD1 3.73Å; K227-L282 HydrophobicContact CB-CD2 3.4Å; K227-L282 VanDerWaalsContact CB-CD2 3.4Å; K227-L282 HydrophobicContact CB-CG 4.19Å; K227-L282 HydrophobicContact CD-CD2 3.96Å; K227-L282 HydrophobicContact CG-CD2 4.29Å |
| 228 | E | 78.1 | Confident | 75.8 | Confident | 101 Ų | 101 | 81.9 Ų | 81.9 | 47% | 0.472 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 140.2 | 179.3 | -69.5 | 171.8 | 177.7 | 0 | 0 | 107.2 | K226 Y246 L247 | K226-E228 HydrophobicContact CB-CB 4.28Å; K226-E228 IonicContact NZ-OE1 2.67Å; K226-E228 IonicContact NZ-OE2 3.79Å; K226-E228 PolarHBondContact NZ-OE2 3.07Å; K226-E228 PolarHBondContact O-N 3.49Å; K226-E228 VanDerWaalsContact O-O 3.14Å; E228-Y246 HydrophobicContact CB-CD1 3.89Å; E228-Y246 HydrophobicContact CB-CE1 4.11Å; E228-Y246 VanDerWaalsContact OE2-CE1 3.31Å; E228-Y246 WeakPolarHBondContact OE2-CE1 3.41Å; E228-L247 PolarHBondContact O-N 3.42Å; E228-L247 VanDerWaalsContact O-N 3.07Å |
| 229 | M | 81.6 | Confident | 76.2 | Confident | 55 Ų | 55 | 85.7 Ų | 85.7 | 27% | 0.271 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 138.2 | 177 | -178.3 | -172.5 | -69.2 | 0 | 0 | 111.8 | K231 V234 Y251 F270 | M229-K231 PolarHBondContact O-N 3.41Å; M229-K231 VanDerWaalsContact O-N 3.12Å; M229-V234 HydrophobicContact CG-CG2 3.66Å; M229-V234 HydrophobicContact SD-CG2 3.36Å; M229-V234 WeakPolarHBondContact SD-CG2 3.28Å; M229-Y251 HydrophobicContact CB-CD2 3.95Å; M229-Y251 HydrophobicContact CB-CE2 4.3Å; M229-Y251 HydrophobicContact CB-CG 4.18Å; M229-Y251 HydrophobicContact CE-CD1 3.16Å; M229-Y251 HydrophobicContact CE-CD2 4.34Å; M229-Y251 HydrophobicContact CE-CE1 3.56Å; M229-Y251 HydrophobicContact CE-CG 3.61Å; M229-Y251 HydrophobicContact CG-CG 4.47Å; M229-F270 HydrophobicContact CE-CD1 3.63Å; M229-F270 HydrophobicContact CE-CE1 3.19Å; M229-F270 HydrophobicContact CE-CZ 3.85Å; M229-F270 HydrophobicContact SD-CD1 4.39Å; M229-F270 HydrophobicContact SD-CE1 3.47Å; M229-F270 WeakPolarHBondContact SD-CE1 3.49Å; M229-F270 HydrophobicContact SD-CZ 4.02Å |
| 230 | C | 86.9 | Confident | 76.5 | Confident | 1 Ų | 1 | 91.5 Ų | 91.5 | 1% | 0.007 | 45% | 0.45 | C | S | . | . | trans | -71.7 | 104.9 | 177.6 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | F232 Y233 V234 C244 Y246 L247 H248 | C230-F232 PolarHBondContact O-N 3.25Å; C230-Y233 WeakPolarHBondContact O-CA 3.25Å; C230-Y233 WeakPolarHBondContact O-CB 3.26Å; C230-Y233 PolarHBondContact O-N 2.79Å; C230-Y233 PolarHBondContact SG-N 2.94Å; C230-Y233 VanDerWaalsContact SG-N 3.45Å; C230-V234 PolarHBondContact O-N 3.19Å; C230-V234 VanDerWaalsContact O-N 3.14Å; C230-C244 PolarHBondContact SG-SG 3.32Å; C230-Y246 VanDerWaalsContact CB-CB 3.48Å; C230-Y246 HydrophobicContact CB-CG 4.41Å; C230-L247 WeakPolarHBondContact CB-O 3.28Å; C230-L247 PolarHBondContact N-O 3.47Å; C230-H248 VanDerWaalsContact CB-CD2 3.41Å; C230-H248 WeakPolarHBondContact CB-CD2 3.41Å; C230-H248 PolarHBondContact SG-NE2 3.47Å | ||
| 231 | K | 86.1 | Confident | 77.2 | Confident | 157 Ų | 157 | 86.9 Ų | 86.9 | 68% | 0.683 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -53.7 | -39.3 | 177.3 | -61.6 | -173.8 | -179.8 | -174.3 | 0 | 113 | M229 Y233 Q235 | M229-K231 PolarHBondContact O-N 3.41Å; M229-K231 VanDerWaalsContact O-N 3.12Å; K231-Y233 VanDerWaalsContact C-N 3.29Å; K231-Y233 PolarHBondContact O-N 3Å; K231-Q235 WeakPolarHBondContact O-CG 3.31Å; K231-Q235 PolarHBondContact O-N 3.04Å; K231-Q235 PolarHBondContact O-NE2 3.41Å |
| 232 | F | 87.6 | Confident | 78 | Confident | 113 Ų | 113 | 94.6 Ų | 94.6 | 50% | 0.496 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.6 | -29.9 | 178 | -60.7 | -110 | 0 | 0 | 0 | 112 | C230 G236 Y237 C238 | C230-F232 PolarHBondContact O-N 3.25Å; F232-G236 PolarHBondContact O-N 2.72Å; F232-Y237 HydrophobicContact CB-CD2 4.16Å; F232-Y237 HydrophobicContact CB-CE2 3.96Å; F232-Y237 AromaticContact CD1-CD2 3.65Å; F232-Y237 HydrophobicContact CD1-CD2 3.65Å; F232-Y237 AromaticContact CD1-CE2 3.14Å; F232-Y237 HydrophobicContact CD1-CE2 3.14Å; F232-Y237 HydrophobicContact CE1-CD2 4.46Å; F232-Y237 AromaticContact CE1-CE2 3.71Å; F232-Y237 HydrophobicContact CE1-CE2 3.71Å; F232-Y237 HydrophobicContact CG-CD2 4.31Å; F232-Y237 AromaticContact CG-CE2 3.77Å; F232-Y237 HydrophobicContact CG-CE2 3.77Å; F232-Y237 CarbonylContact O-C 3.59Å; F232-Y237 PolarHBondContact O-N 3.3Å; F232-C238 HydrophobicContact CB-CB 3.97Å; F232-C238 PolarHBondContact O-N 3.15Å; F232-C238 VanDerWaalsContact O-N 3.09Å |
| 233 | Y | 87.3 | Confident | 78.8 | Confident | 66 Ų | 66 | 91.7 Ų | 91.7 | 26% | 0.259 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -78.2 | -46.9 | 179.9 | -176.6 | -106.8 | 0 | 0 | 0 | 111.9 | C230 K231 Q235 G236 C238 H248 N249 | C230-Y233 WeakPolarHBondContact O-CA 3.25Å; C230-Y233 WeakPolarHBondContact O-CB 3.26Å; C230-Y233 PolarHBondContact O-N 2.79Å; C230-Y233 PolarHBondContact SG-N 2.94Å; C230-Y233 VanDerWaalsContact SG-N 3.45Å; K231-Y233 VanDerWaalsContact C-N 3.29Å; K231-Y233 PolarHBondContact O-N 3Å; Y233-Q235 PolarHBondContact O-N 3.15Å; Y233-G236 WeakPolarHBondContact O-CA 3.22Å; Y233-G236 PolarHBondContact O-N 3.5Å; Y233-C238 HydrophobicContact CD2-CB 4.34Å; Y233-H248 HydrophobicContact CD1-CB 3.86Å; Y233-H248 AromaticContact CD1-CG 3.97Å; Y233-H248 HydrophobicContact CD2-CB 4.18Å; Y233-H248 AromaticContact CD2-CD2 3.87Å; Y233-H248 AromaticContact CD2-CE1 3.64Å; Y233-H248 AromaticContact CD2-CG 3.62Å; Y233-H248 AromaticContact CD2-ND1 3.48Å; Y233-H248 WeakPolarHBondContact CD2-ND1 3.47Å; Y233-H248 AromaticContact CD2-NE2 3.88Å; Y233-H248 HydrophobicContact CE1-CB 3.92Å; Y233-H248 HydrophobicContact CE2-CB 4.24Å; Y233-H248 AromaticContact CE2-ND1 3.85Å; Y233-H248 HydrophobicContact CG-CB 4.02Å; Y233-H248 AromaticContact CG-CD2 3.54Å; Y233-H248 AromaticContact CG-CG 3.6Å; Y233-H248 AromaticContact CG-ND1 3.95Å; Y233-H248 AromaticContact CG-NE2 3.86Å; Y233-N249 WeakPolarHBondContact CE1-OD1 3.38Å; Y233-N249 VanDerWaalsContact OH-CG 3.28Å; Y233-N249 PolarHBondContact OH-ND2 3.12Å; Y233-N249 VanDerWaalsContact OH-ND2 3.14Å; Y233-N249 PolarHBondContact OH-OD1 3.14Å |
| 234 | V | 85.6 | Confident | 80 | Confident | 42 Ų | 42 | 88.1 Ų | 88.1 | 26% | 0.255 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -53.8 | -40.3 | 176 | 178.9 | 0 | 0 | 0 | 0 | 111 | M229 C230 K269 F270 | M229-V234 HydrophobicContact CG-CG2 3.66Å; M229-V234 HydrophobicContact SD-CG2 3.36Å; M229-V234 WeakPolarHBondContact SD-CG2 3.28Å; C230-V234 PolarHBondContact O-N 3.19Å; C230-V234 VanDerWaalsContact O-N 3.14Å; V234-K269 PolarHBondContact O-NZ 3Å; V234-F270 HydrophobicContact CG2-CE1 4.32Å |
| 235 | Q | 86.6 | Confident | 81 | Confident | 121 Ų | 121 | 87.2 Ų | 87.2 | 57% | 0.565 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -2.5 | 179.5 | -60.5 | 176.9 | 49.4 | 0 | 0 | 113.9 | K231 Y233 Y237 | K231-Q235 WeakPolarHBondContact O-CG 3.31Å; K231-Q235 PolarHBondContact O-N 3.04Å; K231-Q235 PolarHBondContact O-NE2 3.41Å; Y233-Q235 PolarHBondContact O-N 3.15Å; Q235-Y237 HydrophobicContact CB-CD1 3.66Å; Q235-Y237 HydrophobicContact CB-CE1 3.2Å; Q235-Y237 HydrophobicContact CG-CE1 4.09Å; Q235-Y237 VanDerWaalsContact OE1-CE1 3.32Å; Q235-Y237 PolarHBondContact OE1-OH 3.39Å |
| 236 | G | 86.5 | Confident | 82 | Confident | 66 Ų | 66 | 85.3 Ų | 85.3 | 68% | 0.68 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | 4.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | F232 Y233 | F232-G236 PolarHBondContact O-N 2.72Å; Y233-G236 WeakPolarHBondContact O-CA 3.22Å; Y233-G236 PolarHBondContact O-N 3.5Å |
| 237 | Y | 89.4 | Confident | 82.9 | Confident | 119 Ų | 119 | 82.1 Ų | 82.1 | 47% | 0.467 | 41% | 0.413 | S | S | . | . | trans | -114.2 | 22.2 | -176.1 | 60.9 | -95 | 0 | 0 | 0 | 114.4 | F232 Q235 T239 | F232-Y237 HydrophobicContact CB-CD2 4.16Å; F232-Y237 HydrophobicContact CB-CE2 3.96Å; F232-Y237 AromaticContact CD1-CD2 3.65Å; F232-Y237 HydrophobicContact CD1-CD2 3.65Å; F232-Y237 AromaticContact CD1-CE2 3.14Å; F232-Y237 HydrophobicContact CD1-CE2 3.14Å; F232-Y237 HydrophobicContact CE1-CD2 4.46Å; F232-Y237 AromaticContact CE1-CE2 3.71Å; F232-Y237 HydrophobicContact CE1-CE2 3.71Å; F232-Y237 HydrophobicContact CG-CD2 4.31Å; F232-Y237 AromaticContact CG-CE2 3.77Å; F232-Y237 HydrophobicContact CG-CE2 3.77Å; F232-Y237 CarbonylContact O-C 3.59Å; F232-Y237 PolarHBondContact O-N 3.3Å; Q235-Y237 HydrophobicContact CB-CD1 3.66Å; Q235-Y237 HydrophobicContact CB-CE1 3.2Å; Q235-Y237 HydrophobicContact CG-CE1 4.09Å; Q235-Y237 VanDerWaalsContact OE1-CE1 3.32Å; Q235-Y237 PolarHBondContact OE1-OH 3.39Å; Y237-T239 PolarHBondContact O-N 2.86Å; Y237-T239 VanDerWaalsContact O-N 3.11Å | ||
| 238 | C | 88.9 | Confident | 83.6 | Confident | 27 Ų | 27 | 79.8 Ų | 79.8 | 18% | 0.182 | 40% | 0.403 | C | S | . | . | trans | -73.9 | 100.4 | 176 | -171.7 | 0 | 0 | 0 | 0 | 112.2 | F232 Y233 R240 H248 | F232-C238 HydrophobicContact CB-CB 3.97Å; F232-C238 PolarHBondContact O-N 3.15Å; F232-C238 VanDerWaalsContact O-N 3.09Å; Y233-C238 HydrophobicContact CD2-CB 4.34Å; C238-R240 PolarHBondContact O-N 2.86Å; C238-H248 PolarHBondContact SG-CE1 3.34Å; C238-H248 PolarHBondContact SG-NE2 3.38Å | ||
| 239 | T | 86.9 | Confident | 83.7 | Confident | 143 Ų | 143 | 78.7 Ų | 78.7 | 88% | 0.877 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -4.5 | 175.1 | 55.7 | 0 | 0 | 0 | 0 | 114.6 | Y237 | Y237-T239 PolarHBondContact O-N 2.86Å; Y237-T239 VanDerWaalsContact O-N 3.11Å |
| 240 | R | 81.1 | Confident | 83.7 | Confident | 146 Ų | 146 | 81.7 Ų | 81.7 | 55% | 0.551 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -17.2 | -177.9 | -69.4 | -166.6 | 169.8 | 173.7 | -1.4 | 114.8 | C238 E242 N243 C244 | C238-R240 PolarHBondContact O-N 2.86Å; R240-E242 PolarHBondContact O-N 3.21Å; R240-N243 WeakPolarHBondContact O-CA 3.47Å; R240-N243 WeakPolarHBondContact O-CB 3.43Å; R240-N243 PolarHBondContact O-N 3.33Å; R240-C244 HydrophobicContact CB-CB 4Å |
| 241 | G | 80.3 | Confident | 83.6 | Confident | 34 Ų | 34 | 82.2 Ų | 82.2 | 35% | 0.351 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | 49.2 | -134.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N243 C244 H248 | G241-N243 PolarHBondContact O-N 3.17Å; G241-N243 VanDerWaalsContact O-N 3.16Å; G241-C244 VanDerWaalsContact O-CB 3.28Å; G241-C244 WeakPolarHBondContact O-CB 3.49Å; G241-C244 PolarHBondContact O-N 2.99Å; G241-C244 VanDerWaalsContact O-N 3.07Å; G241-H248 PolarHBondContact O-CE1 3.18Å; G241-H248 PolarHBondContact O-ND1 2.77Å |
| 242 | E | 74.3 | Confident | 83.6 | Confident | 181 Ų | 181 | 74.8 Ų | 74.8 | 85% | 0.846 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -61.1 | -20.8 | 177.7 | -64.2 | 164.8 | -166 | 0 | 0 | 114.3 | R240 C244 | R240-E242 PolarHBondContact O-N 3.21Å; E242-C244 PolarHBondContact O-N 3.41Å |
| 243 | N | 75 | Confident | 83.7 | Confident | 98 Ų | 98 | 69.4 Ų | 69.4 | 52% | 0.524 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -85.6 | 14.2 | 176.1 | -75.9 | -105 | 0 | 0 | 0 | 112.7 | R207 R240 G241 | R207-N243 PolarHBondContact NH2-OD1 3.18Å; R207-N243 VanDerWaalsContact NH2-OD1 3.17Å; R240-N243 WeakPolarHBondContact O-CA 3.47Å; R240-N243 WeakPolarHBondContact O-CB 3.43Å; R240-N243 PolarHBondContact O-N 3.33Å; G241-N243 PolarHBondContact O-N 3.17Å; G241-N243 VanDerWaalsContact O-N 3.16Å |
| 244 | C | 83.4 | Confident | 83.7 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 7% | 0.074 | 36% | 0.36 | C | S | . | . | trans | -70.8 | 145.4 | 175.5 | -162.3 | 0 | 0 | 0 | 0 | 111.6 | C230 R240 G241 E242 Y246 H248 | C230-C244 PolarHBondContact SG-SG 3.32Å; R240-C244 HydrophobicContact CB-CB 4Å; G241-C244 VanDerWaalsContact O-CB 3.28Å; G241-C244 WeakPolarHBondContact O-CB 3.49Å; G241-C244 PolarHBondContact O-N 2.99Å; G241-C244 VanDerWaalsContact O-N 3.07Å; E242-C244 PolarHBondContact O-N 3.41Å; C244-Y246 PolarHBondContact O-N 3.08Å; C244-H248 VanDerWaalsContact CB-NE2 3.26Å; C244-H248 WeakPolarHBondContact CB-NE2 3.44Å; C244-H248 PolarHBondContact SG-NE2 3.38Å | ||
| 245 | L | 79.8 | Confident | 83.8 | Confident | 67 Ų | 67 | 72 Ų | 72 | 35% | 0.351 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -77.1 | -2.5 | 174.6 | -58.3 | -176.4 | 0 | 0 | 0 | 113 | I223 K226 | I223-L245 HydrophobicContact CD1-CD2 4.45Å; I223-L245 HydrophobicContact CG2-CD2 3.93Å; K226-L245 WeakPolarHBondContact CB-O 3.48Å; K226-L245 PolarHBondContact N-O 2.95Å |
| 246 | Y | 82.7 | Confident | 83.8 | Confident | 79 Ų | 79 | 72 Ų | 72 | 31% | 0.31 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 151.9 | -172.5 | -68.4 | -85.5 | 0 | 0 | 0 | 109.3 | K226 E228 C230 C244 | K226-Y246 HydrophobicContact CB-CD1 4.02Å; K226-Y246 HydrophobicContact CB-CE1 4.2Å; K226-Y246 HydrophobicContact CD-CD1 4.13Å; K226-Y246 HydrophobicContact CD-CE1 3.51Å; K226-Y246 PolarHBondContact NZ-OH 3.38Å; E228-Y246 HydrophobicContact CB-CD1 3.89Å; E228-Y246 HydrophobicContact CB-CE1 4.11Å; E228-Y246 VanDerWaalsContact OE2-CE1 3.31Å; E228-Y246 WeakPolarHBondContact OE2-CE1 3.41Å; C230-Y246 VanDerWaalsContact CB-CB 3.48Å; C230-Y246 HydrophobicContact CB-CG 4.41Å; C244-Y246 PolarHBondContact O-N 3.08Å |
| 247 | L | 83.2 | Confident | 83.8 | Confident | 26 Ų | 26 | 71.3 Ų | 71.3 | 14% | 0.136 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 138.3 | -179.6 | -65.8 | 171.2 | 0 | 0 | 0 | 111.8 | K225 E228 C230 E250 Y251 L282 | K225-L247 HydrophobicContact CB-CD2 4.47Å; E228-L247 PolarHBondContact O-N 3.42Å; E228-L247 VanDerWaalsContact O-N 3.07Å; C230-L247 WeakPolarHBondContact CB-O 3.28Å; C230-L247 PolarHBondContact N-O 3.47Å; L247-E250 HydrophobicContact CD2-CB 4.37Å; L247-Y251 HydrophobicContact CB-CD2 4.3Å; L247-Y251 HydrophobicContact CD1-CD2 3.99Å; L247-L282 HydrophobicContact CD1-CD1 3.79Å |
| 248 | H | 84.2 | Confident | 83.6 | Confident | 22 Ų | 22 | 69.3 Ų | 69.3 | 10% | 0.102 | 34% | 0.344 | C | S | . | . | trans | -103.6 | -127.8 | 171.6 | -70.8 | -173.8 | 0 | 0 | 0 | 108.7 | C230 Y233 C238 G241 C244 E250 Y251 | C230-H248 VanDerWaalsContact CB-CD2 3.41Å; C230-H248 WeakPolarHBondContact CB-CD2 3.41Å; C230-H248 PolarHBondContact SG-NE2 3.47Å; Y233-H248 HydrophobicContact CD1-CB 3.86Å; Y233-H248 AromaticContact CD1-CG 3.97Å; Y233-H248 HydrophobicContact CD2-CB 4.18Å; Y233-H248 AromaticContact CD2-CD2 3.87Å; Y233-H248 AromaticContact CD2-CE1 3.64Å; Y233-H248 AromaticContact CD2-CG 3.62Å; Y233-H248 AromaticContact CD2-ND1 3.48Å; Y233-H248 WeakPolarHBondContact CD2-ND1 3.47Å; Y233-H248 AromaticContact CD2-NE2 3.88Å; Y233-H248 HydrophobicContact CE1-CB 3.92Å; Y233-H248 HydrophobicContact CE2-CB 4.24Å; Y233-H248 AromaticContact CE2-ND1 3.85Å; Y233-H248 HydrophobicContact CG-CB 4.02Å; Y233-H248 AromaticContact CG-CD2 3.54Å; Y233-H248 AromaticContact CG-CG 3.6Å; Y233-H248 AromaticContact CG-ND1 3.95Å; Y233-H248 AromaticContact CG-NE2 3.86Å; C238-H248 PolarHBondContact SG-CE1 3.34Å; C238-H248 PolarHBondContact SG-NE2 3.38Å; G241-H248 PolarHBondContact O-CE1 3.18Å; G241-H248 PolarHBondContact O-ND1 2.77Å; C244-H248 VanDerWaalsContact CB-NE2 3.26Å; C244-H248 WeakPolarHBondContact CB-NE2 3.44Å; C244-H248 PolarHBondContact SG-NE2 3.38Å; H248-E250 PolarHBondContact O-N 3.14Å; H248-Y251 PolarHBondContact O-N 3.19Å | ||
| 249 | N | 79.8 | Confident | 83.3 | Confident | 78 Ų | 78 | 71.4 Ų | 71.4 | 42% | 0.417 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -20.8 | -174.8 | -73.4 | -29.7 | 0 | 0 | 0 | 114.9 | Y233 Y251 S271 | Y233-N249 WeakPolarHBondContact CE1-OD1 3.38Å; Y233-N249 VanDerWaalsContact OH-CG 3.28Å; Y233-N249 PolarHBondContact OH-ND2 3.12Å; Y233-N249 VanDerWaalsContact OH-ND2 3.14Å; Y233-N249 PolarHBondContact OH-OD1 3.14Å; N249-Y251 PolarHBondContact O-N 3.46Å; N249-S271 VanDerWaalsContact O-CB 3.25Å; N249-S271 WeakPolarHBondContact O-CB 3.27Å; N249-S271 PolarHBondContact O-N 3.27Å; N249-S271 VanDerWaalsContact O-N 3.11Å |
| 250 | E | 82.1 | Confident | 83.2 | Confident | 118 Ų | 118 | 68 Ų | 68 | 55% | 0.551 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.1 | 172.6 | -72.5 | 66.6 | -143.5 | 0 | 0 | 113.4 | L247 H248 P252 S271 | L247-E250 HydrophobicContact CD2-CB 4.37Å; H248-E250 PolarHBondContact O-N 3.14Å; E250-P252 WeakPolarHBondContact O-CD 3.47Å; E250-S271 PolarHBondContact O-OG 3.33Å |
| 251 | Y | 84.8 | Confident | 83.4 | Confident | 12 Ų | 12 | 69.6 Ų | 69.6 | 5% | 0.047 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -67.2 | 123 | -176.4 | -162.3 | -78.8 | 0 | 0 | 0 | 111 | M229 L247 H248 N249 F270 S271 L282 V286 | M229-Y251 HydrophobicContact CB-CD2 3.95Å; M229-Y251 HydrophobicContact CB-CE2 4.3Å; M229-Y251 HydrophobicContact CB-CG 4.18Å; M229-Y251 HydrophobicContact CE-CD1 3.16Å; M229-Y251 HydrophobicContact CE-CD2 4.34Å; M229-Y251 HydrophobicContact CE-CE1 3.56Å; M229-Y251 HydrophobicContact CE-CG 3.61Å; M229-Y251 HydrophobicContact CG-CG 4.47Å; L247-Y251 HydrophobicContact CB-CD2 4.3Å; L247-Y251 HydrophobicContact CD1-CD2 3.99Å; H248-Y251 PolarHBondContact O-N 3.19Å; N249-Y251 PolarHBondContact O-N 3.46Å; Y251-F270 CarbonylContact O-C 3.57Å; Y251-F270 WeakPolarHBondContact O-CA 3.47Å; Y251-F270 VanDerWaalsContact O-CB 3.28Å; Y251-F270 WeakPolarHBondContact O-CB 3.47Å; Y251-S271 PolarHBondContact O-N 2.81Å; Y251-S271 PolarHBondContact O-OG 3.1Å; Y251-L282 HydrophobicContact CE2-CB 4.27Å; Y251-L282 HydrophobicContact CE2-CD1 4.48Å; Y251-L282 PolarHBondContact OH-O 3.12Å; Y251-V286 WeakPolarHBondContact OH-CG2 3.46Å |
| 252 | P | 86.9 | Confident | 83.8 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.013 | 35% | 0.35 | C | S | . | . | B | Isolated β-bridge | trans | -65 | 141.8 | -172.8 | 26 | -37.2 | 0 | 0 | 0 | 114.3 | E250 K254 S271 L275 L283 | E250-P252 WeakPolarHBondContact O-CD 3.47Å; P252-K254 PolarHBondContact O-N 3.21Å; P252-S271 VanDerWaalsContact CA-OG 3.26Å; P252-S271 WeakPolarHBondContact CA-OG 3.37Å; P252-L275 HydrophobicContact CB-CD2 3.48Å; P252-L275 VanDerWaalsContact CB-CD2 3.48Å; P252-L275 HydrophobicContact CG-CD2 4.15Å; P252-L283 HydrophobicContact CB-CD1 3.99Å; P252-L283 HydrophobicContact CB-CD2 3.93Å; P252-L283 HydrophobicContact CB-CG 3.85Å; P252-L283 HydrophobicContact CG-CD1 4.19Å; P252-L283 HydrophobicContact CG-CD2 3.67Å; P252-L283 HydrophobicContact CG-CG 3.52Å; P252-L283 WeakPolarHBondContact O-CD2 3.36Å |
| 253 | C | 88.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | trans | -73.4 | 110 | 179.4 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | F255 Y256 H257 F270 S271 H272 | C253-F255 VanDerWaalsContact C-N 3.29Å; C253-F255 PolarHBondContact O-N 3.39Å; C253-Y256 PolarHBondContact O-N 3.27Å; C253-H257 PolarHBondContact O-CD2 3.16Å; C253-H257 VanDerWaalsContact O-CD2 3.24Å; C253-H257 PolarHBondContact O-N 3.24Å; C253-H257 VanDerWaalsContact O-N 3.16Å; C253-F270 HydrophobicContact CB-CB 3.73Å; C253-S271 VanDerWaalsContact CB-O 3.28Å; C253-S271 WeakPolarHBondContact CB-O 3.09Å; C253-S271 PolarHBondContact N-O 3.2Å; C253-H272 WeakPolarHBondContact CB-CD2 3.47Å; C253-H272 PolarHBondContact SG-NE2 2.61Å; C253-H272 VanDerWaalsContact SG-NE2 3.38Å | ||
| 254 | K | 87.5 | Confident | 84.9 | Confident | 60 Ų | 60 | 70.6 Ų | 70.6 | 26% | 0.261 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -47.3 | -50.1 | 173.7 | 178.6 | 178.8 | 175.6 | -177.9 | 0 | 112 | P252 T258 L287 E290 | P252-K254 PolarHBondContact O-N 3.21Å; K254-T258 WeakPolarHBondContact O-CB 3.36Å; K254-T258 PolarHBondContact O-N 3.02Å; K254-T258 PolarHBondContact O-OG1 2.66Å; K254-L287 HydrophobicContact CD-CD2 4.19Å; K254-L287 HydrophobicContact CG-CD2 4.09Å; K254-E290 IonicContact NZ-OE1 2.86Å; K254-E290 PolarHBondContact NZ-OE1 3.25Å; K254-E290 IonicContact NZ-OE2 3.75Å; K254-E290 PolarHBondContact NZ-OE2 3.02Å |
| 255 | F | 87.4 | Confident | 84.9 | Confident | 102 Ų | 102 | 71.7 Ų | 71.7 | 45% | 0.447 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.5 | -54.3 | -174.8 | -64.8 | -75 | 0 | 0 | 0 | 111.8 | C253 H257 T258 G259 T260 C262 | C253-F255 VanDerWaalsContact C-N 3.29Å; C253-F255 PolarHBondContact O-N 3.39Å; F255-H257 VanDerWaalsContact C-N 3.33Å; F255-H257 PolarHBondContact O-N 3.31Å; F255-T258 PolarHBondContact O-N 3.23Å; F255-G259 PolarHBondContact O-N 3.36Å; F255-T260 CarbonylContact C-O 3.43Å; F255-T260 VanDerWaalsContact C-OG1 3.3Å; F255-T260 WeakPolarHBondContact CA-OG1 3.46Å; F255-T260 WeakPolarHBondContact CB-OG1 3.39Å; F255-T260 CarbonylContact O-C 3.58Å; F255-T260 PolarHBondContact O-N 3.22Å; F255-T260 VanDerWaalsContact O-N 3.1Å; F255-T260 PolarHBondContact O-OG1 3.31Å; F255-C262 HydrophobicContact CB-CB 4.42Å |
| 256 | Y | 86.9 | Confident | 85 | Confident | 120 Ų | 120 | 77.5 Ų | 77.5 | 47% | 0.471 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -55.9 | -44.3 | -177.5 | -176.4 | -106.4 | 0 | 0 | 0 | 112.5 | C253 H272 | C253-Y256 PolarHBondContact O-N 3.27Å; Y256-H272 VanDerWaalsContact CB-CD2 3.46Å; Y256-H272 WeakPolarHBondContact CB-CD2 3.45Å; Y256-H272 HydrophobicContact CD1-CB 4Å; Y256-H272 AromaticContact CD1-CD2 3.85Å; Y256-H272 HydrophobicContact CD2-CB 4.48Å; Y256-H272 AromaticContact CD2-CD2 3.94Å; Y256-H272 HydrophobicContact CE1-CB 3.9Å; Y256-H272 WeakPolarHBondContact CE1-O 3.47Å; Y256-H272 HydrophobicContact CE2-CB 4.4Å; Y256-H272 HydrophobicContact CG-CB 4.3Å; Y256-H272 AromaticContact CG-CD2 3.49Å; Y256-H272 VanDerWaalsContact CG-CD2 3.49Å; Y256-H272 AromaticContact CG-CG 3.98Å |
| 257 | H | 86 | Confident | 85 | Confident | 53 Ų | 53 | 83.6 Ų | 83.6 | 25% | 0.245 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -85.5 | -16.5 | -178.9 | -62.7 | -65 | 0 | 0 | 0 | 114.9 | C253 F255 G259 A273 L275 L283 | C253-H257 PolarHBondContact O-CD2 3.16Å; C253-H257 VanDerWaalsContact O-CD2 3.24Å; C253-H257 PolarHBondContact O-N 3.24Å; C253-H257 VanDerWaalsContact O-N 3.16Å; F255-H257 VanDerWaalsContact C-N 3.33Å; F255-H257 PolarHBondContact O-N 3.31Å; H257-G259 PolarHBondContact O-N 3.01Å; H257-A273 PolarHBondContact CE1-O 3.22Å; H257-A273 VanDerWaalsContact CE1-O 3.25Å; H257-A273 PolarHBondContact NE2-O 3.3Å; H257-L275 HydrophobicContact CB-CD1 3.98Å; H257-L283 HydrophobicContact CB-CD1 3.64Å |
| 258 | T | 86.3 | Confident | 85.2 | Confident | 76 Ų | 76 | 83.2 Ų | 83.2 | 47% | 0.466 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 7.5 | 173.6 | -48.7 | 0 | 0 | 0 | 0 | 111.9 | K254 F255 T260 | K254-T258 WeakPolarHBondContact O-CB 3.36Å; K254-T258 PolarHBondContact O-N 3.02Å; K254-T258 PolarHBondContact O-OG1 2.66Å; F255-T258 PolarHBondContact O-N 3.23Å; T258-T260 VanDerWaalsContact C-N 3.34Å |
| 259 | G | 82 | Confident | 85.3 | Confident | 72 Ų | 72 | 87.2 Ų | 87.2 | 74% | 0.742 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 5.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | F255 H257 | F255-G259 PolarHBondContact O-N 3.36Å; H257-G259 PolarHBondContact O-N 3.01Å |
| 260 | T | 85.8 | Confident | 85.6 | Confident | 70 Ų | 70 | 86.1 Ų | 86.1 | 43% | 0.429 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -94.9 | 137.4 | 173.2 | 53.1 | 0 | 0 | 0 | 0 | 110.6 | F255 T258 C262 | F255-T260 CarbonylContact C-O 3.43Å; F255-T260 VanDerWaalsContact C-OG1 3.3Å; F255-T260 WeakPolarHBondContact CA-OG1 3.46Å; F255-T260 WeakPolarHBondContact CB-OG1 3.39Å; F255-T260 CarbonylContact O-C 3.58Å; F255-T260 PolarHBondContact O-N 3.22Å; F255-T260 VanDerWaalsContact O-N 3.1Å; F255-T260 PolarHBondContact O-OG1 3.31Å; T258-T260 VanDerWaalsContact C-N 3.34Å; T260-C262 PolarHBondContact O-N 2.91Å |
| 261 | K | 84.8 | Confident | 85.9 | Confident | 181 Ų | 181 | 81.7 Ų | 81.7 | 79% | 0.787 | 40% | 0.4 | S | S | * | . | trans | -63.5 | 126.8 | 177.5 | -66.2 | -177 | 179.4 | -179.7 | 0 | 110.1 | Y263 | K261-Y263 PolarHBondContact O-N 3.13Š| ||
| 262 | C | 89 | Confident | 86 | Confident | 20 Ų | 20 | 83.5 Ų | 83.5 | 14% | 0.135 | 41% | 0.409 | C | S | . | . | trans | -76.4 | 114.8 | 173.2 | 175.5 | 0 | 0 | 0 | 0 | 109.9 | F255 T260 Q264 G265 C268 H272 | F255-C262 HydrophobicContact CB-CB 4.42Å; T260-C262 PolarHBondContact O-N 2.91Å; C262-Q264 PolarHBondContact O-N 3.05Å; C262-Q264 PolarHBondContact SG-OE1 3.39Å; C262-G265 PolarHBondContact O-N 3.05Å; C262-C268 VanDerWaalsContact SG-SG 3.65Å; C262-H272 WeakPolarHBondContact CB-NE2 3.44Å; C262-H272 VanDerWaalsContact SG-CE1 3.54Å; C262-H272 PolarHBondContact SG-NE2 2.98Å; C262-H272 VanDerWaalsContact SG-NE2 3.38Å | ||
| 263 | Y | 87.3 | Confident | 85.9 | Confident | 215 Ų | 215 | 86.1 Ų | 86.1 | 84% | 0.843 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -15.2 | -179.6 | -61.2 | -73.8 | 0 | 0 | 0 | 113.8 | K261 G265 | K261-Y263 PolarHBondContact O-N 3.13Å; Y263-G265 VanDerWaalsContact C-N 3.34Å |
| 264 | Q | 84.5 | Confident | 85.7 | Confident | 99 Ų | 99 | 91.9 Ų | 91.9 | 46% | 0.463 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -15.6 | 177.3 | -64.6 | 75.6 | 16 | 0 | 0 | 113 | C262 E266 Y267 C268 | C262-Q264 PolarHBondContact O-N 3.05Å; C262-Q264 PolarHBondContact SG-OE1 3.39Å; Q264-E266 PolarHBondContact O-N 3.41Å; Q264-Y267 CarbonylContact O-C 3.12Å; Q264-Y267 WeakPolarHBondContact O-CA 3.48Å; Q264-Y267 PolarHBondContact O-N 3.45Å; Q264-C268 HydrophobicContact CB-CB 4Å |
| 265 | G | 84 | Confident | 85.4 | Confident | 34 Ų | 34 | 91.8 Ų | 91.8 | 35% | 0.351 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | 53.8 | -125.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C262 Y263 Y267 C268 H272 | C262-G265 PolarHBondContact O-N 3.05Å; Y263-G265 VanDerWaalsContact C-N 3.34Å; G265-Y267 VanDerWaalsContact C-N 3.3Å; G265-Y267 PolarHBondContact O-N 3.43Å; G265-C268 WeakPolarHBondContact O-CB 3.18Å; G265-C268 PolarHBondContact O-N 3.32Å; G265-H272 PolarHBondContact O-CE1 3.43Å; G265-H272 PolarHBondContact O-ND1 3.49Å |
| 266 | E | 81 | Confident | 85.3 | Confident | 189 Ų | 189 | 90.5 Ų | 90.5 | 88% | 0.883 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -72.6 | -20 | 177.8 | -60.2 | -178.2 | 169.3 | 0 | 0 | 113.5 | Q264 C268 | Q264-E266 PolarHBondContact O-N 3.41Å; E266-C268 PolarHBondContact O-N 3.05Å |
| 267 | Y | 83.4 | Confident | 85.2 | Confident | 206 Ų | 206 | 89.9 Ų | 89.9 | 81% | 0.808 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -89 | 15.5 | 176.2 | -55.9 | -75 | 0 | 0 | 0 | 112.8 | Q264 G265 K269 | Q264-Y267 CarbonylContact O-C 3.12Å; Q264-Y267 WeakPolarHBondContact O-CA 3.48Å; Q264-Y267 PolarHBondContact O-N 3.45Å; G265-Y267 VanDerWaalsContact C-N 3.3Å; G265-Y267 PolarHBondContact O-N 3.43Å; Y267-K269 PolarHBondContact O-N 3.01Å |
| 268 | C | 88.1 | Confident | 84.9 | Confident | 18 Ų | 18 | 92.8 Ų | 92.8 | 12% | 0.122 | 50% | 0.495 | C | S | . | . | trans | -65.6 | 131.2 | 175.1 | -166.2 | 0 | 0 | 0 | 0 | 110.7 | C262 Q264 G265 E266 F270 H272 | C262-C268 VanDerWaalsContact SG-SG 3.65Å; Q264-C268 HydrophobicContact CB-CB 4Å; G265-C268 WeakPolarHBondContact O-CB 3.18Å; G265-C268 PolarHBondContact O-N 3.32Å; E266-C268 PolarHBondContact O-N 3.05Å; C268-F270 PolarHBondContact O-N 3.35Å; C268-F270 VanDerWaalsContact O-N 3.15Å; C268-F270 PolarHBondContact SG-O 3.38Å; C268-H272 VanDerWaalsContact CB-CE1 3.46Å; C268-H272 WeakPolarHBondContact CB-CE1 3.34Å; C268-H272 PolarHBondContact SG-NE2 2.89Å | ||
| 269 | K | 84.4 | Confident | 84.8 | Confident | 106 Ų | 106 | 90.6 Ų | 90.6 | 46% | 0.461 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -75.7 | 7.1 | 175.9 | -62.1 | -179.7 | 175.4 | 178.4 | 0 | 113.3 | V234 Y267 | V234-K269 PolarHBondContact O-NZ 3Å; Y267-K269 PolarHBondContact O-N 3.01Å |
| 270 | F | 86.9 | Confident | 84.9 | Confident | 55 Ų | 55 | 92.7 Ų | 92.7 | 24% | 0.241 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -134.9 | 148.8 | -172.5 | -51.3 | -48.8 | 0 | 0 | 0 | 108.9 | M229 V234 Y251 C253 C268 | M229-F270 HydrophobicContact CE-CD1 3.63Å; M229-F270 HydrophobicContact CE-CE1 3.19Å; M229-F270 HydrophobicContact CE-CZ 3.85Å; M229-F270 HydrophobicContact SD-CD1 4.39Å; M229-F270 HydrophobicContact SD-CE1 3.47Å; M229-F270 WeakPolarHBondContact SD-CE1 3.49Å; M229-F270 HydrophobicContact SD-CZ 4.02Å; V234-F270 HydrophobicContact CG2-CE1 4.32Å; Y251-F270 CarbonylContact O-C 3.57Å; Y251-F270 WeakPolarHBondContact O-CA 3.47Å; Y251-F270 VanDerWaalsContact O-CB 3.28Å; Y251-F270 WeakPolarHBondContact O-CB 3.47Å; C253-F270 HydrophobicContact CB-CB 3.73Å; C268-F270 PolarHBondContact O-N 3.35Å; C268-F270 VanDerWaalsContact O-N 3.15Å; C268-F270 PolarHBondContact SG-O 3.38Å |
| 271 | S | 87.4 | Confident | 84.8 | Confident | 25 Ų | 25 | 94 Ų | 94 | 18% | 0.175 | 47% | 0.473 | C | S | . | . | B | Isolated β-bridge | trans | -67.9 | 136 | -178 | 53.6 | 0 | 0 | 0 | 0 | 111.9 | N249 E250 Y251 P252 C253 | N249-S271 VanDerWaalsContact O-CB 3.25Å; N249-S271 WeakPolarHBondContact O-CB 3.27Å; N249-S271 PolarHBondContact O-N 3.27Å; N249-S271 VanDerWaalsContact O-N 3.11Å; E250-S271 PolarHBondContact O-OG 3.33Å; Y251-S271 PolarHBondContact O-N 2.81Å; Y251-S271 PolarHBondContact O-OG 3.1Å; P252-S271 VanDerWaalsContact CA-OG 3.26Å; P252-S271 WeakPolarHBondContact CA-OG 3.37Å; C253-S271 VanDerWaalsContact CB-O 3.28Å; C253-S271 WeakPolarHBondContact CB-O 3.09Å; C253-S271 PolarHBondContact N-O 3.2Å |
| 272 | H | 88 | Confident | 84.8 | Confident | 51 Ų | 51 | 85.9 Ų | 85.9 | 24% | 0.236 | 44% | 0.438 | C | S | . | . | trans | -99.6 | 9.2 | 163.2 | -65.4 | 158.6 | 0 | 0 | 0 | 111.9 | C253 Y256 C262 G265 C268 | C253-H272 WeakPolarHBondContact CB-CD2 3.47Å; C253-H272 PolarHBondContact SG-NE2 2.61Å; C253-H272 VanDerWaalsContact SG-NE2 3.38Å; Y256-H272 VanDerWaalsContact CB-CD2 3.46Å; Y256-H272 WeakPolarHBondContact CB-CD2 3.45Å; Y256-H272 HydrophobicContact CD1-CB 4Å; Y256-H272 AromaticContact CD1-CD2 3.85Å; Y256-H272 HydrophobicContact CD2-CB 4.48Å; Y256-H272 AromaticContact CD2-CD2 3.94Å; Y256-H272 HydrophobicContact CE1-CB 3.9Å; Y256-H272 WeakPolarHBondContact CE1-O 3.47Å; Y256-H272 HydrophobicContact CE2-CB 4.4Å; Y256-H272 HydrophobicContact CG-CB 4.3Å; Y256-H272 AromaticContact CG-CD2 3.49Å; Y256-H272 VanDerWaalsContact CG-CD2 3.49Å; Y256-H272 AromaticContact CG-CG 3.98Å; C262-H272 WeakPolarHBondContact CB-NE2 3.44Å; C262-H272 VanDerWaalsContact SG-CE1 3.54Å; C262-H272 PolarHBondContact SG-NE2 2.98Å; C262-H272 VanDerWaalsContact SG-NE2 3.38Å; G265-H272 PolarHBondContact O-CE1 3.43Å; G265-H272 PolarHBondContact O-ND1 3.49Å; C268-H272 VanDerWaalsContact CB-CE1 3.46Å; C268-H272 WeakPolarHBondContact CB-CE1 3.34Å; C268-H272 PolarHBondContact SG-NE2 2.89Å | ||
| 273 | A | 85.2 | Confident | 84.6 | Confident | 57 Ų | 57 | 85.6 Ų | 85.6 | 47% | 0.471 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -62.9 | 152 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | H257 L275 | H257-A273 PolarHBondContact CE1-O 3.22Å; H257-A273 VanDerWaalsContact CE1-O 3.25Å; H257-A273 PolarHBondContact NE2-O 3.3Å; A273-L275 PolarHBondContact O-N 3.17Å |
| 274 | P | 83.8 | Confident | 84.5 | Confident | 121 Ų | 121 | 77.4 Ų | 77.4 | 79% | 0.786 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 136.3 | 172.9 | -25.3 | 34.8 | 0 | 0 | 0 | 111.5 | T276 | P274-T276 PolarHBondContact O-N 2.95Š|
| 275 | L | 81.6 | Confident | 84.5 | Confident | 57 Ų | 57 | 77.6 Ų | 77.6 | 30% | 0.298 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 126.7 | -179.4 | -67.3 | 171.5 | 0 | 0 | 0 | 110.9 | P252 H257 A273 Q280 L283 | P252-L275 HydrophobicContact CB-CD2 3.48Å; P252-L275 VanDerWaalsContact CB-CD2 3.48Å; P252-L275 HydrophobicContact CG-CD2 4.15Å; H257-L275 HydrophobicContact CB-CD1 3.98Å; A273-L275 PolarHBondContact O-N 3.17Å; L275-Q280 HydrophobicContact CB-CB 4.24Å; L275-Q280 HydrophobicContact CD1-CB 4.26Å; L275-Q280 HydrophobicContact CD1-CG 4.23Å; L275-L283 HydrophobicContact CD1-CD1 3.76Å; L275-L283 HydrophobicContact CD2-CD1 3.71Å; L275-L283 HydrophobicContact CD2-CG 4.44Å; L275-L283 HydrophobicContact CG-CD1 4.38Å |
| 276 | T | 85.4 | Confident | 84.4 | Confident | 75 Ų | 75 | 78.5 Ų | 78.5 | 46% | 0.46 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 155.7 | 159.8 | 60.6 | 0 | 0 | 0 | 0 | 109.5 | P274 E278 T279 Q280 | P274-T276 PolarHBondContact O-N 2.95Å; T276-E278 PolarHBondContact O-N 2.79Å; T276-E278 VanDerWaalsContact O-N 3.15Å; T276-T279 PolarHBondContact N-OG1 3.41Å; T276-T279 PolarHBondContact O-N 3.32Å; T276-T279 PolarHBondContact O-OG1 3.07Å; T276-T279 WeakPolarHBondContact OG1-CG2 3.46Å; T276-T279 PolarHBondContact OG1-N 3.21Å; T276-T279 PolarHBondContact OG1-OG1 3.11Å; T276-Q280 PolarHBondContact O-N 2.99Å |
| 277 | P | 83.4 | Confident | 84.5 | Confident | 108 Ų | 108 | 71.4 Ų | 71.4 | 70% | 0.701 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -55.9 | -35 | 179 | 20.8 | -33.4 | 0 | 0 | 0 | 112.7 | E281 | P277-E281 PolarHBondContact O-N 3.07Å |
| 278 | E | 80.9 | Confident | 84.4 | Confident | 114 Ų | 114 | 65.3 Ų | 65.3 | 53% | 0.533 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.9 | -47.4 | 174.4 | -66.4 | -159.4 | -150.7 | 0 | 0 | 112.9 | K227 T276 Q280 E281 L282 | K227-E278 IonicContact NZ-OE2 2.61Å; K227-E278 PolarHBondContact NZ-OE2 3.02Å; T276-E278 PolarHBondContact O-N 2.79Å; T276-E278 VanDerWaalsContact O-N 3.15Å; E278-Q280 VanDerWaalsContact C-N 3.35Å; E278-E281 WeakPolarHBondContact O-CB 3.2Å; E278-E281 PolarHBondContact O-N 3.24Å; E278-L282 WeakPolarHBondContact O-CG 3.18Å; E278-L282 PolarHBondContact O-N 3.38Å |
| 279 | T | 82.9 | Confident | 83.9 | Confident | 30 Ų | 30 | 68.9 Ų | 68.9 | 18% | 0.184 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.7 | -31.9 | -178.2 | 51.3 | 0 | 0 | 0 | 0 | 112.2 | T276 E281 L282 L283 | T276-T279 PolarHBondContact N-OG1 3.41Å; T276-T279 PolarHBondContact O-N 3.32Å; T276-T279 PolarHBondContact O-OG1 3.07Å; T276-T279 WeakPolarHBondContact OG1-CG2 3.46Å; T276-T279 PolarHBondContact OG1-N 3.21Å; T276-T279 PolarHBondContact OG1-OG1 3.11Å; T279-E281 VanDerWaalsContact C-N 3.34Å; T279-E281 PolarHBondContact O-N 2.99Å; T279-L282 WeakPolarHBondContact O-CB 3.36Å; T279-L282 PolarHBondContact O-N 3.42Å; T279-L283 PolarHBondContact O-N 3.34Å; T279-L283 VanDerWaalsContact O-N 3.15Å |
| 280 | Q | 83.9 | Confident | 83 | Confident | 116 Ų | 116 | 69.6 Ų | 69.6 | 54% | 0.542 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 171.7 | -171.4 | 175.9 | 7.9 | 0 | 0 | 112.1 | L275 T276 E278 L282 L283 A284 | L275-Q280 HydrophobicContact CB-CB 4.24Å; L275-Q280 HydrophobicContact CD1-CB 4.26Å; L275-Q280 HydrophobicContact CD1-CG 4.23Å; T276-Q280 PolarHBondContact O-N 2.99Å; E278-Q280 VanDerWaalsContact C-N 3.35Å; Q280-L282 VanDerWaalsContact C-N 3.26Å; Q280-L282 PolarHBondContact O-N 3.39Å; Q280-L283 PolarHBondContact O-N 3.13Å; Q280-A284 PolarHBondContact O-N 3.16Å |
| 281 | E | 85.7 | Confident | 82.1 | Confident | 97 Ų | 97 | 75.9 Ų | 75.9 | 45% | 0.453 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.7 | -33.3 | 175.9 | -155.2 | -154.6 | 175.4 | 0 | 0 | 111.9 | P277 E278 T279 K285 | P277-E281 PolarHBondContact O-N 3.07Å; E278-E281 WeakPolarHBondContact O-CB 3.2Å; E278-E281 PolarHBondContact O-N 3.24Å; T279-E281 VanDerWaalsContact C-N 3.34Å; T279-E281 PolarHBondContact O-N 2.99Å; E281-K285 VanDerWaalsContact CD-CE 3.46Å; E281-K285 WeakPolarHBondContact O-CB 3.37Å; E281-K285 WeakPolarHBondContact O-CD 3.42Å; E281-K285 VanDerWaalsContact O-CG 3.27Å; E281-K285 WeakPolarHBondContact O-CG 3.39Å; E281-K285 PolarHBondContact O-N 3.43Å; E281-K285 WeakPolarHBondContact OE1-CE 3.32Å; E281-K285 IonicContact OE1-NZ 2.79Å; E281-K285 PolarHBondContact OE1-NZ 3.16Å; E281-K285 IonicContact OE2-NZ 3.58Å; E281-K285 PolarHBondContact OE2-NZ 2.61Å |
| 282 | L | 83.4 | Confident | 80.5 | Confident | 11 Ų | 11 | 82.3 Ų | 82.3 | 6% | 0.058 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -70.8 | -40.3 | 177.2 | -52.5 | -178 | 0 | 0 | 0 | 112.5 | K227 L247 Y251 E278 T279 Q280 V286 | K227-L282 HydrophobicContact CB-CD1 3.73Å; K227-L282 HydrophobicContact CB-CD2 3.4Å; K227-L282 VanDerWaalsContact CB-CD2 3.4Å; K227-L282 HydrophobicContact CB-CG 4.19Å; K227-L282 HydrophobicContact CD-CD2 3.96Å; K227-L282 HydrophobicContact CG-CD2 4.29Å; L247-L282 HydrophobicContact CD1-CD1 3.79Å; Y251-L282 HydrophobicContact CE2-CB 4.27Å; Y251-L282 HydrophobicContact CE2-CD1 4.48Å; Y251-L282 PolarHBondContact OH-O 3.12Å; E278-L282 WeakPolarHBondContact O-CG 3.18Å; E278-L282 PolarHBondContact O-N 3.38Å; T279-L282 WeakPolarHBondContact O-CB 3.36Å; T279-L282 PolarHBondContact O-N 3.42Å; Q280-L282 VanDerWaalsContact C-N 3.26Å; Q280-L282 PolarHBondContact O-N 3.39Å; L282-V286 PolarHBondContact O-N 2.71Å |
| 283 | L | 84.8 | Confident | 78.7 | Confident | 14 Ų | 14 | 85 Ų | 85 | 7% | 0.073 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -60 | -49.9 | 171.3 | -76.3 | -176.2 | 0 | 0 | 0 | 111.1 | P252 H257 L275 T279 Q280 K285 V286 L287 | P252-L283 HydrophobicContact CB-CD1 3.99Å; P252-L283 HydrophobicContact CB-CD2 3.93Å; P252-L283 HydrophobicContact CB-CG 3.85Å; P252-L283 HydrophobicContact CG-CD1 4.19Å; P252-L283 HydrophobicContact CG-CD2 3.67Å; P252-L283 HydrophobicContact CG-CG 3.52Å; P252-L283 WeakPolarHBondContact O-CD2 3.36Å; H257-L283 HydrophobicContact CB-CD1 3.64Å; L275-L283 HydrophobicContact CD1-CD1 3.76Å; L275-L283 HydrophobicContact CD2-CD1 3.71Å; L275-L283 HydrophobicContact CD2-CG 4.44Å; L275-L283 HydrophobicContact CG-CD1 4.38Å; T279-L283 PolarHBondContact O-N 3.34Å; T279-L283 VanDerWaalsContact O-N 3.15Å; Q280-L283 PolarHBondContact O-N 3.13Å; L283-K285 VanDerWaalsContact C-N 3.34Å; L283-K285 PolarHBondContact O-N 3.46Å; L283-V286 PolarHBondContact O-N 3.35Å; L283-V286 VanDerWaalsContact O-N 3.17Å; L283-L287 WeakPolarHBondContact O-CG 3.07Å; L283-L287 PolarHBondContact O-N 3.32Å |
| 284 | A | 85.8 | Confident | 76.9 | Confident | 42 Ų | 42 | 88.6 Ų | 88.6 | 35% | 0.347 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -56.6 | -48.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q280 V286 L287 D288 | Q280-A284 PolarHBondContact O-N 3.16Å; A284-V286 VanDerWaalsContact C-N 3.32Å; A284-V286 PolarHBondContact O-N 3.19Å; A284-L287 PolarHBondContact O-N 3.38Å; A284-D288 WeakPolarHBondContact O-CB 3.41Å; A284-D288 PolarHBondContact O-N 3.44Å |
| 285 | K | 84.9 | Confident | 74.9 | Confident | 103 Ų | 103 | 96.1 Ų | 96.1 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -54.8 | -43.6 | 176.3 | -76.2 | 166.7 | -178 | 167.2 | 0 | 112.9 | E281 L283 T289 | E281-K285 VanDerWaalsContact CD-CE 3.46Å; E281-K285 WeakPolarHBondContact O-CB 3.37Å; E281-K285 WeakPolarHBondContact O-CD 3.42Å; E281-K285 VanDerWaalsContact O-CG 3.27Å; E281-K285 WeakPolarHBondContact O-CG 3.39Å; E281-K285 PolarHBondContact O-N 3.43Å; E281-K285 WeakPolarHBondContact OE1-CE 3.32Å; E281-K285 IonicContact OE1-NZ 2.79Å; E281-K285 PolarHBondContact OE1-NZ 3.16Å; E281-K285 IonicContact OE2-NZ 3.58Å; E281-K285 PolarHBondContact OE2-NZ 2.61Å; L283-K285 VanDerWaalsContact C-N 3.34Å; L283-K285 PolarHBondContact O-N 3.46Å; K285-T289 WeakPolarHBondContact O-CG2 3.42Å; K285-T289 PolarHBondContact O-N 2.89Å; K285-T289 PolarHBondContact O-OG1 2.97Å |
| 286 | V | 80.9 | Confident | 74.5 | Confident | 53 Ų | 53 | 98.1 Ų | 98.1 | 32% | 0.321 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.9 | -44.1 | 178.9 | 169.5 | 0 | 0 | 0 | 0 | 111.9 | Y251 L282 L283 A284 D288 T289 E290 | Y251-V286 WeakPolarHBondContact OH-CG2 3.46Å; L282-V286 PolarHBondContact O-N 2.71Å; L283-V286 PolarHBondContact O-N 3.35Å; L283-V286 VanDerWaalsContact O-N 3.17Å; A284-V286 VanDerWaalsContact C-N 3.32Å; A284-V286 PolarHBondContact O-N 3.19Å; V286-D288 VanDerWaalsContact C-N 3.29Å; V286-D288 PolarHBondContact O-N 3.42Å; V286-T289 WeakPolarHBondContact CA-OG1 3.16Å; V286-T289 PolarHBondContact O-N 3.39Å; V286-T289 PolarHBondContact O-OG1 2.92Å; V286-E290 PolarHBondContact O-N 3.2Å; V286-E290 VanDerWaalsContact O-N 3.11Å |
| 287 | L | 83.8 | Confident | 73.9 | Confident | 40 Ų | 40 | 99.3 Ų | 99.3 | 21% | 0.209 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -58.9 | -40.6 | 175.9 | -68.6 | 174.4 | 0 | 0 | 0 | 111.9 | K254 L283 A284 E290 R291 | K254-L287 HydrophobicContact CD-CD2 4.19Å; K254-L287 HydrophobicContact CG-CD2 4.09Å; L283-L287 WeakPolarHBondContact O-CG 3.07Å; L283-L287 PolarHBondContact O-N 3.32Å; A284-L287 PolarHBondContact O-N 3.38Å; L287-E290 PolarHBondContact O-N 3.08Å; L287-R291 VanDerWaalsContact O-CG 3.32Å; L287-R291 WeakPolarHBondContact O-CG 3.07Å; L287-R291 PolarHBondContact O-N 2.9Å; L287-R291 VanDerWaalsContact O-N 3.13Å |
| 288 | D | 81.9 | Confident | 73.4 | Confident | 78 Ų | 78 | 98.8 Ų | 98.8 | 42% | 0.417 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -76 | -27.8 | 179.5 | -68.7 | -25.5 | 0 | 0 | 0 | 113.2 | A284 V286 R291 K292 | A284-D288 WeakPolarHBondContact O-CB 3.41Å; A284-D288 PolarHBondContact O-N 3.44Å; V286-D288 VanDerWaalsContact C-N 3.29Å; V286-D288 PolarHBondContact O-N 3.42Å; D288-R291 IonicContact OD1-NH1 2.66Å; D288-K292 PolarHBondContact O-N 2.92Å |
| 289 | T | 76.2 | Confident | 73 | Confident | 94 Ų | 94 | 97.9 Ų | 97.9 | 58% | 0.577 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.9 | -37.1 | 170 | 49.3 | 0 | 0 | 0 | 0 | 112.8 | K285 V286 R291 K292 | K285-T289 WeakPolarHBondContact O-CG2 3.42Å; K285-T289 PolarHBondContact O-N 2.89Å; K285-T289 PolarHBondContact O-OG1 2.97Å; V286-T289 WeakPolarHBondContact CA-OG1 3.16Å; V286-T289 PolarHBondContact O-N 3.39Å; V286-T289 PolarHBondContact O-OG1 2.92Å; T289-R291 VanDerWaalsContact C-N 3.35Å; T289-K292 PolarHBondContact O-N 3.19Å |
| 290 | E | 65.6 | Low | 72.4 | Confident | 121 Ų | 121 | 102.1 Ų | 102.1 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -71.5 | -29.9 | 174.8 | -72.1 | -178 | -147.4 | 0 | 0 | 112.6 | K254 V286 L287 K292 | K254-E290 IonicContact NZ-OE1 2.86Å; K254-E290 PolarHBondContact NZ-OE1 3.25Å; K254-E290 IonicContact NZ-OE2 3.75Å; K254-E290 PolarHBondContact NZ-OE2 3.02Å; V286-E290 PolarHBondContact O-N 3.2Å; V286-E290 VanDerWaalsContact O-N 3.11Å; L287-E290 PolarHBondContact O-N 3.08Å; E290-K292 PolarHBondContact O-N 3.4Å |
| 291 | R | 67.6 | Low | 71.6 | Confident | 186 Ų | 186 | 101.2 Ų | 101.2 | 70% | 0.702 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -10.2 | 174.3 | -74.2 | 170.1 | 172.6 | 174.3 | -4.3 | 114.3 | L287 D288 T289 P293 | L287-R291 VanDerWaalsContact O-CG 3.32Å; L287-R291 WeakPolarHBondContact O-CG 3.07Å; L287-R291 PolarHBondContact O-N 2.9Å; L287-R291 VanDerWaalsContact O-N 3.13Å; D288-R291 IonicContact OD1-NH1 2.66Å; T289-R291 VanDerWaalsContact C-N 3.35Å; R291-P293 WeakPolarHBondContact O-CD 3.19Å |
| 292 | K | 53.9 | Low | 70.6 | Confident | 161 Ų | 161 | 101.5 Ų | 101.5 | 70% | 0.7 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -98 | 88.1 | 170.5 | -74.9 | 177.4 | -179.7 | 174 | 0 | 108.7 | D288 T289 E290 C294 | D288-K292 PolarHBondContact O-N 2.92Å; T289-K292 PolarHBondContact O-N 3.19Å; E290-K292 PolarHBondContact O-N 3.4Å; K292-C294 PolarHBondContact O-N 3.19Å |
| 293 | P | 50.8 | Low | 69.6 | Low | 107 Ų | 107 | 108.5 Ų | 108.5 | 70% | 0.695 | 55% | 0.551 | S | S | * | * | trans | -57.8 | 138.1 | 171 | 26.6 | -34.6 | 0 | 0 | 0 | 109.1 | R291 K295 | R291-P293 WeakPolarHBondContact O-CD 3.19Å; P293-K295 PolarHBondContact O-N 3.43Å | ||
| 294 | C | 47.5 | Very low | 68.3 | Low | 133 Ų | 133 | 116.3 Ų | 116.3 | 90% | 0.899 | 59% | 0.591 | S | S | * | * | trans | -54.8 | 124.1 | 166.4 | -62.5 | 0 | 0 | 0 | 0 | 108.4 | K292 | K292-C294 PolarHBondContact O-N 3.19Š| ||
| 295 | K | 41 | Very low | 66.7 | Low | 278 Ų | 278 | 123.1 Ų | 123.1 | 100% | 1.209 | 61% | 0.613 | S | S | * | * | trans | -82.9 | 0 | 165.9 | -73.1 | -174.3 | 174.1 | -175.8 | 0 | 109.8 | P293 | P293-K295 PolarHBondContact O-N 3.43Š|
Retrieved 295 of 295 residues in 41.3 ms
(Link to these results)