| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.9 | Very low | 50 | Low | 236 Ų | 236 | 162.7 Ų | 162.7 | 100% | 1.163 | 84% | 0.843 | S | S | * | * | 0 | 118.8 | 0 | -73.4 | -71 | -164.9 | 0 | 0 | 108.2 | |||||
| 2 | P | 66.8 | Low | 50 | Low | 117 Ų | 117 | 163.3 Ų | 163.3 | 76% | 0.76 | 84% | 0.839 | S | S | * | * | cis | -89.4 | 154.2 | -47.6 | 9.4 | 13.4 | 0 | 0 | 0 | 109.8 | ||||
| 3 | F | 42.4 | Very low | 51.1 | Low | 170 Ų | 170 | 159.6 Ų | 159.6 | 75% | 0.746 | 83% | 0.832 | S | S | * | * | 60.8 | 110.3 | 65.3 | -98 | -92.8 | 0 | 0 | 0 | 113.6 | |||||
| 4 | E | 54.4 | Low | 51.5 | Low | 192 Ų | 192 | 156.9 Ų | 156.9 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | -160.9 | 159.1 | 98.3 | -101.4 | 177.5 | 135.8 | 0 | 0 | 111 | |||||
| 5 | Q | 43.6 | Very low | 51.5 | Low | 162 Ų | 162 | 159.1 Ų | 159.1 | 76% | 0.757 | 83% | 0.832 | S | S | * | * | trans | -107.5 | 151.9 | -174.9 | -59.4 | 169.6 | -85.8 | 0 | 0 | 109 | ||||
| 6 | D | 58.4 | Low | 52.2 | Low | 168 Ų | 168 | 156.7 Ų | 156.7 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | trans | -137.8 | 156 | 157.4 | -131.9 | -31.3 | 0 | 0 | 0 | 112.5 | ||||
| 7 | V | 52.1 | Low | 52.1 | Low | 107 Ų | 107 | 157.1 Ų | 157.1 | 65% | 0.648 | 83% | 0.832 | S | S | * | * | trans | -125.7 | 129.8 | -140.2 | 168.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 8 | K | 47.9 | Very low | 51.6 | Low | 186 Ų | 186 | 160.1 Ų | 160.1 | 81% | 0.809 | 84% | 0.837 | S | S | * | * | trans | 65.5 | 120.2 | 146.8 | -174.1 | -176.7 | -172.6 | 179.8 | 0 | 118.4 | ||||
| 9 | S | 47.8 | Very low | 51.4 | Low | 122 Ų | 122 | 156.6 Ų | 156.6 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | -162.5 | 141.6 | 114.4 | -82.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 10 | T | 41 | Very low | 51.3 | Low | 135 Ų | 135 | 153.3 Ų | 153.3 | 83% | 0.828 | 83% | 0.83 | S | S | * | * | trans | -106 | 128.3 | 178.6 | -56.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 11 | E | 54 | Low | 51.4 | Low | 195 Ų | 195 | 152.1 Ų | 152.1 | 91% | 0.911 | 83% | 0.83 | S | S | * | * | trans | -121.9 | 125.8 | 170.2 | -159.1 | 171.3 | 122.4 | 0 | 0 | 108.8 | ||||
| 12 | Q | 50.3 | Low | 51.7 | Low | 170 Ų | 170 | 150.1 Ų | 150.1 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -123.5 | 127.3 | -173.7 | -170.5 | 177.9 | -0.9 | 0 | 0 | 108.4 | ||||
| 13 | P | 63.8 | Low | 50.4 | Low | 115 Ų | 115 | 152.8 Ų | 152.8 | 75% | 0.747 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 149.8 | -179.1 | -15 | 29.4 | 0 | 0 | 0 | 112.1 | ||
| 14 | P | 56.9 | Low | 50.1 | Low | 122 Ų | 122 | 151.7 Ų | 151.7 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -80 | 144.3 | -175.4 | 31.7 | -35.4 | 0 | 0 | 0 | 113.8 | ||
| 15 | E | 51.4 | Low | 49.2 | Very low | 189 Ų | 189 | 147.7 Ų | 147.7 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 139.7 | 162.5 | -81.8 | -155.1 | 150.5 | 0 | 0 | 111.5 | ||
| 16 | P | 62.9 | Low | 49 | Very low | 121 Ų | 121 | 147.8 Ų | 147.8 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 120.1 | 164.2 | 34.1 | -27.2 | 0 | 0 | 0 | 112.9 | ||
| 17 | D | 49.5 | Very low | 48.2 | Very low | 163 Ų | 163 | 148 Ų | 148 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | trans | 10.6 | 131.9 | 162.7 | -71.6 | -47.8 | 0 | 0 | 0 | 123.1 | A19 | D17-A19 PolarHBondContact O-N 3.33Š| ||
| 18 | K | 44.4 | Very low | 47.4 | Very low | 211 Ų | 211 | 154.8 Ų | 154.8 | 92% | 0.917 | 83% | 0.83 | S | S | * | * | trans | -71.2 | 110.3 | 165.1 | -67 | 169.7 | -178.6 | 168 | 0 | 111.6 | ||||
| 19 | A | 47.4 | Very low | 46.9 | Very low | 95 Ų | 95 | 153.2 Ų | 153.2 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | trans | -112.4 | 105.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D17 | D17-A19 PolarHBondContact O-N 3.33Š| ||
| 20 | A | 50 | Low | 46.4 | Very low | 90 Ų | 90 | 152.6 Ų | 152.6 | 74% | 0.744 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 136.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K22 | A20-K22 PolarHBondContact O-N 2.98Š|
| 21 | P | 52.6 | Low | 46.3 | Very low | 128 Ų | 128 | 154.4 Ų | 154.4 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 120.9 | 171.5 | 29.1 | -32.2 | 0 | 0 | 0 | 109.9 | L23 | P21-L23 PolarHBondContact O-N 3.47Š|
| 22 | K | 49.2 | Very low | 45.5 | Very low | 195 Ų | 195 | 150 Ų | 150 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 127.9 | 177.3 | -68.4 | 174.7 | 178.5 | 174.3 | 0 | 110.3 | A20 I24 | A20-K22 PolarHBondContact O-N 2.98Å; K22-I24 PolarHBondContact O-N 3.49Å |
| 23 | L | 37.8 | Very low | 44.8 | Very low | 172 Ų | 172 | 148 Ų | 148 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 119 | 163.9 | -72.8 | 172 | 0 | 0 | 0 | 109 | P21 | P21-L23 PolarHBondContact O-N 3.47Š|
| 24 | I | 37.7 | Very low | 43.6 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 76% | 0.759 | 82% | 0.818 | S | S | * | * | trans | -90.9 | 100.7 | 166.8 | -63.6 | 176.8 | 0 | 0 | 0 | 107.3 | K22 L26 | K22-I24 PolarHBondContact O-N 3.49Å; I24-L26 PolarHBondContact O-N 3.27Å | ||
| 25 | S | 35.4 | Very low | 42.8 | Very low | 107 Ų | 107 | 148.6 Ų | 148.6 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | trans | -66.9 | 111.6 | 162.1 | -64.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 26 | L | 38.9 | Very low | 42.4 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 86% | 0.859 | 82% | 0.817 | S | S | * | * | trans | -88.7 | 105.7 | 167.1 | -112.3 | 165.6 | 0 | 0 | 0 | 108.5 | I24 | I24-L26 PolarHBondContact O-N 3.27Š| ||
| 27 | E | 41.3 | Very low | 41.6 | Very low | 174 Ų | 174 | 147.3 Ų | 147.3 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -66.1 | 163.1 | -180 | -79.6 | -175.4 | 83.7 | 0 | 0 | 113.4 | L29 | E27-L29 PolarHBondContact O-N 2.73Š| ||
| 28 | R | 34.8 | Very low | 41.3 | Very low | 249 Ų | 249 | 143.9 Ų | 143.9 | 94% | 0.94 | 81% | 0.807 | S | S | * | * | trans | -58.8 | 124.2 | 177.4 | -64.3 | 171.5 | 174.1 | 128.6 | -4.5 | 111.1 | ||||
| 29 | L | 37.7 | Very low | 41.5 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 80% | 0.801 | 80% | 0.802 | S | S | * | * | trans | -103.9 | 98.3 | 154.4 | -94.3 | 159.6 | 0 | 0 | 0 | 109 | E27 H31 | E27-L29 PolarHBondContact O-N 2.73Å; L29-H31 PolarHBondContact O-N 3.12Å | ||
| 30 | S | 37.4 | Very low | 41.1 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -65.3 | 123 | 172.4 | 50.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 31 | H | 38.7 | Very low | 41.2 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | trans | -123.8 | 139.7 | 159.6 | -77.1 | 85.7 | 0 | 0 | 0 | 109.6 | L29 | L29-H31 PolarHBondContact O-N 3.12Š| ||
| 32 | S | 37.1 | Very low | 40.5 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -96.9 | 143 | -157.6 | -168.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 33 | T | 35.1 | Very low | 39.9 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | 44.2 | 112.2 | 144.4 | 53.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 34 | A | 39.5 | Very low | 39.7 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | -158.3 | 133.4 | 123.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 35 | D | 39.2 | Very low | 39.9 | Very low | 148 Ų | 148 | 143.7 Ų | 143.7 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -63.3 | 147.8 | 176 | -74.2 | -75.7 | 0 | 0 | 0 | 113.3 | ||||
| 36 | M | 43.1 | Very low | 40 | Very low | 174 Ų | 174 | 146 Ų | 146 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -157.2 | 124.1 | 138.5 | -94 | -51.4 | 98.5 | 0 | 0 | 110.7 | ||||
| 37 | P | 47.8 | Very low | 39.9 | Very low | 109 Ų | 109 | 144.4 Ų | 144.4 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 155.4 | 177.7 | 33.7 | -34.3 | 0 | 0 | 0 | 112.6 | ||
| 38 | A | 43 | Very low | 40 | Very low | 91 Ų | 91 | 141.3 Ų | 141.3 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 144.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | T40 | A38-T40 PolarHBondContact O-N 3.23Š|
| 39 | P | 47.9 | Very low | 39.8 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 117.5 | 176.8 | 31.5 | -33 | 0 | 0 | 0 | 111.8 | ||
| 40 | T | 40 | Very low | 39.8 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 126.6 | 161.9 | 50.2 | 0 | 0 | 0 | 0 | 110.5 | A38 | A38-T40 PolarHBondContact O-N 3.23Š|
| 41 | P | 51.6 | Low | 39.5 | Very low | 128 Ų | 128 | 133 Ų | 133 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 126 | 155.1 | 30.9 | -27.4 | 0 | 0 | 0 | 109 | ||
| 42 | N | 37.5 | Very low | 39.3 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | -96.4 | 175.6 | 179.7 | -167.3 | 3.8 | 0 | 0 | 0 | 110.1 | ||||
| 43 | L | 37.5 | Very low | 39.1 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | 87.1 | 93.8 | 160.8 | -56.5 | 167.6 | 0 | 0 | 0 | 119 | ||||
| 44 | Y | 31.8 | Very low | 38.9 | Very low | 195 Ų | 195 | 134.1 Ų | 134.1 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | 56.2 | 101.5 | 109 | -134.1 | -89.8 | 0 | 0 | 0 | 118.6 | E46 | Y44-E46 HydrophobicContact CE1-CG 4.02Š| |||
| 45 | M | 42.5 | Very low | 38.9 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | -139 | 139.7 | 143.4 | -85.1 | -63.8 | -78 | 0 | 0 | 108.3 | ||||
| 46 | E | 37.4 | Very low | 38.7 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | trans | -74.5 | 150.2 | -166.3 | -64.4 | 167 | 108.4 | 0 | 0 | 113.6 | Y44 | Y44-E46 HydrophobicContact CE1-CG 4.02Š| ||
| 47 | V | 36.7 | Very low | 38.4 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -108.3 | 112 | 168.1 | -172.6 | 0 | 0 | 0 | 0 | 108.1 | S49 | V47-S49 PolarHBondContact O-N 2.96Š| ||
| 48 | P | 44.6 | Very low | 37.9 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | trans | -71 | 113.2 | 174.3 | -18.1 | 32.2 | 0 | 0 | 0 | 110.7 | V50 | P48-V50 PolarHBondContact O-N 2.73Š| ||
| 49 | S | 30.5 | Very low | 37.7 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -61.1 | 119.9 | 165.3 | -70.7 | 0 | 0 | 0 | 0 | 110.1 | V47 | V47-S49 PolarHBondContact O-N 2.96Š| ||
| 50 | V | 37.1 | Very low | 36.9 | Very low | 122 Ų | 122 | 135 Ų | 135 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | trans | -124 | 98.9 | 161.6 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | P48 L52 | P48-V50 PolarHBondContact O-N 2.73Å; V50-L52 HydrophobicContact CG1-CG 4.34Å | ||
| 51 | A | 30.4 | Very low | 36.7 | Very low | 90 Ų | 90 | 137.5 Ų | 137.5 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | -79.1 | 127 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 52 | L | 34.4 | Very low | 35.8 | Very low | 155 Ų | 155 | 139 Ų | 139 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -134.8 | 82.4 | 164.3 | -76.6 | 179.4 | 0 | 0 | 0 | 110.3 | V50 | V50-L52 HydrophobicContact CG1-CG 4.34Š| ||
| 53 | T | 32.9 | Very low | 35.8 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | 40.6 | 108.7 | 126.2 | -37.4 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 54 | L | 32.5 | Very low | 35.9 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | -61.3 | 145.3 | 159.1 | -132.7 | 88.7 | 0 | 0 | 0 | 111.4 | ||||
| 55 | P | 39.5 | Very low | 36.5 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -92.8 | 122.6 | 150.2 | -0.9 | 20.6 | 0 | 0 | 0 | 109.9 | ||||
| 56 | E | 33.3 | Very low | 36.2 | Very low | 161 Ų | 161 | 131.6 Ų | 131.6 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | -87.3 | -178.1 | 167.8 | -163.9 | 167.7 | 116.5 | 0 | 0 | 110.3 | ||||
| 57 | L | 38.4 | Very low | 36 | Very low | 160 Ų | 160 | 130 Ų | 130 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | 81.3 | 137.6 | 175.1 | -45.2 | 175.9 | 0 | 0 | 0 | 114.9 | ||||
| 58 | A | 36.8 | Very low | 35.7 | Very low | 91 Ų | 91 | 127.3 Ų | 127.3 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | cis | -161.5 | 169.9 | -8.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 59 | P | 38.4 | Very low | 35 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -98.1 | -178.5 | -163.4 | 39.3 | -36.8 | 0 | 0 | 0 | 115.7 | ||||
| 60 | S | 31.5 | Very low | 34.8 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | 88.1 | 148.2 | -178.5 | 91.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 61 | E | 36.1 | Very low | 34.4 | Very low | 180 Ų | 180 | 134.5 Ų | 134.5 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | cis | -132.3 | 171.9 | 11.9 | -67 | -176.5 | 98 | 0 | 0 | 113.8 | ||||
| 62 | N | 32.4 | Very low | 34.2 | Very low | 160 Ų | 160 | 136.6 Ų | 136.6 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -65.1 | 124.7 | 175.7 | -63.7 | -74.4 | 0 | 0 | 0 | 113 | ||||
| 63 | V | 37.8 | Very low | 33.9 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -135.9 | 115.2 | 156.3 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 64 | V | 38.5 | Very low | 33.8 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -85 | 126.8 | 177.4 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | ||
| 65 | P | 44.4 | Very low | 33.6 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 151.2 | 161.2 | 34.1 | -30.6 | 0 | 0 | 0 | 111.1 | ||
| 66 | P | 36.9 | Very low | 33.3 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 159.7 | -161.3 | 31.8 | -37.1 | 0 | 0 | 0 | 115.5 | ||
| 67 | S | 32.8 | Very low | 33.2 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 145.2 | 172.3 | 53.5 | 0 | 0 | 0 | 0 | 115.4 | ||
| 68 | G | 30 | Very low | 32.9 | Very low | 75 Ų | 75 | 135.6 Ų | 135.6 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | 129.4 | 71 | 140.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 69 | V | 30 | Very low | 32.6 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 66% | 0.661 | 79% | 0.788 | S | S | * | * | trans | -139.3 | 111.4 | 140.6 | -172.2 | 0 | 0 | 0 | 0 | 108.4 | W71 | V69-W71 HydrophobicContact CG1-CD2 4.19Å; V69-W71 HydrophobicContact CG1-CH2 4.46Å; V69-W71 HydrophobicContact CG1-CZ2 3.85Å | ||
| 70 | Q | 26.9 | Very low | 32.4 | Very low | 183 Ų | 183 | 137.9 Ų | 137.9 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | -92 | 115.4 | 173.6 | -157.1 | -175.9 | 8.2 | 0 | 0 | 108.3 | E72 | Q70-E72 PolarHBondContact O-N 3.41Š| ||
| 71 | W | 29 | Very low | 32.4 | Very low | 214 Ų | 214 | 140.7 Ų | 140.7 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -86.8 | 87.9 | 173.7 | -63 | 102.6 | 0 | 0 | 0 | 109.5 | V69 F73 | V69-W71 HydrophobicContact CG1-CD2 4.19Å; V69-W71 HydrophobicContact CG1-CH2 4.46Å; V69-W71 HydrophobicContact CG1-CZ2 3.85Å; W71-F73 PolarHBondContact O-N 2.69Å; W71-F73 VanDerWaalsContact O-N 3.1Å | ||
| 72 | E | 26.1 | Very low | 32 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 62% | 0.621 | 79% | 0.788 | S | S | * | * | trans | -76.4 | 92.8 | 175 | -163.9 | -166.9 | -160.3 | 0 | 0 | 110 | Q70 K74 | Q70-E72 PolarHBondContact O-N 3.41Å; E72-K74 VanDerWaalsContact C-N 3.29Å; E72-K74 HydrophobicContact CG-CG 4.28Å; E72-K74 PolarHBondContact O-N 2.92Å; E72-K74 IonicContact OE1-NZ 2.63Å; E72-K74 PolarHBondContact OE1-NZ 2.88Å; E72-K74 IonicContact OE2-NZ 2.73Å; E72-K74 PolarHBondContact OE2-NZ 3.33Å | ||
| 73 | F | 28.1 | Very low | 32.1 | Very low | 191 Ų | 191 | 142.7 Ų | 142.7 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -70.7 | 84.6 | 170 | -96.4 | -92 | 0 | 0 | 0 | 110.2 | W71 L75 | W71-F73 PolarHBondContact O-N 2.69Å; W71-F73 VanDerWaalsContact O-N 3.1Å; F73-L75 PolarHBondContact O-N 3.38Å | ||
| 74 | K | 31.3 | Very low | 32 | Very low | 151 Ų | 151 | 141 Ų | 141 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | trans | -71.4 | 95.3 | 166.9 | -81.6 | -168.2 | 164.8 | 80.1 | 0 | 110.3 | E72 | E72-K74 VanDerWaalsContact C-N 3.29Å; E72-K74 HydrophobicContact CG-CG 4.28Å; E72-K74 PolarHBondContact O-N 2.92Å; E72-K74 IonicContact OE1-NZ 2.63Å; E72-K74 PolarHBondContact OE1-NZ 2.88Å; E72-K74 IonicContact OE2-NZ 2.73Å; E72-K74 PolarHBondContact OE2-NZ 3.33Å | ||
| 75 | L | 27.8 | Very low | 32 | Very low | 171 Ų | 171 | 140.6 Ų | 140.6 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | trans | -57.2 | 129.7 | 158.1 | -77.7 | 154.9 | 0 | 0 | 0 | 109.4 | F73 | F73-L75 PolarHBondContact O-N 3.38Š| ||
| 76 | S | 32.4 | Very low | 31.5 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -140 | 128.4 | 167.6 | -84.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 77 | S | 32 | Very low | 31.6 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -57.4 | 156.8 | -157.7 | -53.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 78 | P | 31.8 | Very low | 31.6 | Very low | 105 Ų | 105 | 145.2 Ų | 145.2 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | trans | -94.4 | 92.2 | 179.2 | 36.7 | -33.3 | 0 | 0 | 0 | 113.5 | ||||
| 79 | L | 29.8 | Very low | 31.6 | Very low | 172 Ų | 172 | 148.9 Ų | 148.9 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | trans | -143.8 | 89.2 | 167.9 | -77.8 | -179.1 | 0 | 0 | 0 | 113 | ||||
| 80 | A | 35.4 | Very low | 31.7 | Very low | 88 Ų | 88 | 153.3 Ų | 153.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -163 | 82.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W82 | A80-W82 PolarHBondContact O-N 3.26Š| ||
| 81 | F | 30.2 | Very low | 32 | Very low | 170 Ų | 170 | 153 Ų | 153 | 75% | 0.746 | 78% | 0.781 | S | S | * | * | 19 | 98.6 | 121.7 | -166.5 | -109.1 | 0 | 0 | 0 | 116.6 | E83 | F81-E83 HydrophobicContact CD1-CG 4.24Å; F81-E83 HydrophobicContact CE1-CB 4.18Å; F81-E83 HydrophobicContact CE1-CG 3.46Å; F81-E83 VanDerWaalsContact CE1-CG 3.46Å; F81-E83 HydrophobicContact CZ-CG 3.66Å; F81-E83 WeakPolarHBondContact CZ-OE1 3.29Å; F81-E83 PolarHBondContact O-N 3.49Å | |||
| 82 | W | 28.4 | Very low | 32.2 | Very low | 246 Ų | 246 | 151.4 Ų | 151.4 | 93% | 0.932 | 78% | 0.783 | S | S | * | * | trans | -96.1 | 88.7 | 177.5 | -159.5 | -62.9 | 0 | 0 | 0 | 111.2 | A80 | A80-W82 PolarHBondContact O-N 3.26Š| ||
| 83 | E | 35.2 | Very low | 32.5 | Very low | 136 Ų | 136 | 150.9 Ų | 150.9 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | trans | -83.5 | 143.4 | 165.5 | -92.7 | -175.6 | 167.9 | 0 | 0 | 111.6 | F81 | F81-E83 HydrophobicContact CD1-CG 4.24Å; F81-E83 HydrophobicContact CE1-CB 4.18Å; F81-E83 HydrophobicContact CE1-CG 3.46Å; F81-E83 VanDerWaalsContact CE1-CG 3.46Å; F81-E83 HydrophobicContact CZ-CG 3.66Å; F81-E83 WeakPolarHBondContact CZ-OE1 3.29Å; F81-E83 PolarHBondContact O-N 3.49Å | ||
| 84 | P | 36 | Very low | 32.8 | Very low | 102 Ų | 102 | 146 Ų | 146 | 66% | 0.662 | 79% | 0.789 | S | S | * | * | trans | -78.2 | 141.6 | 175.2 | 32.5 | -33.4 | 0 | 0 | 0 | 111 | V86 | P84-V86 PolarHBondContact O-N 3.14Å; P84-V86 VanDerWaalsContact O-N 3.09Å | ||
| 85 | P | 38.1 | Very low | 33 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -76.6 | 104.2 | -171.3 | 29.7 | -35.1 | 0 | 0 | 0 | 112.7 | ||||
| 86 | V | 33.4 | Very low | 33.5 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -87.2 | 111.5 | 163.6 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | P84 V88 | P84-V86 PolarHBondContact O-N 3.14Å; P84-V86 VanDerWaalsContact O-N 3.09Å; V86-V88 HydrophobicContact CG1-CG2 4.02Å | ||
| 87 | K | 38.3 | Very low | 33.5 | Very low | 205 Ų | 205 | 147.9 Ų | 147.9 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | trans | -96.1 | 116.2 | 172 | -73.7 | -174.9 | 176.3 | -178.6 | 0 | 110.3 | ||||
| 88 | V | 34 | Very low | 33.5 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -119.3 | 124 | 172.7 | 170.1 | 0 | 0 | 0 | 0 | 110.4 | V86 | V86-V88 HydrophobicContact CG1-CG2 4.02Š| ||
| 89 | N | 28.5 | Very low | 33.3 | Very low | 152 Ų | 152 | 150.9 Ų | 150.9 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | 13.4 | 130.8 | 159.2 | -71.8 | -16.5 | 0 | 0 | 0 | 121.4 | ||||
| 90 | K | 32.6 | Very low | 33.3 | Very low | 201 Ų | 201 | 148.2 Ų | 148.2 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | -167.3 | 160.4 | 106.9 | -109.5 | 172.7 | -179.8 | 177.2 | 0 | 113.9 | |||||
| 91 | Q | 34.8 | Very low | 32.8 | Very low | 177 Ų | 177 | 152.2 Ų | 152.2 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | 93.1 | 90.1 | 178.5 | -59.8 | 179.3 | -47.7 | 0 | 0 | 114.4 | ||||
| 92 | Q | 33 | Very low | 33 | Very low | 180 Ų | 180 | 149.4 Ų | 149.4 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | 71.7 | 94.4 | 77.2 | -75 | -176.3 | -43.8 | 0 | 0 | 114.8 | |||||
| 93 | S | 32 | Very low | 33.2 | Very low | 122 Ų | 122 | 143 Ų | 143 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | 177.8 | 156.1 | 105.2 | -73.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 94 | A | 34.6 | Very low | 33.1 | Very low | 89 Ų | 89 | 144.3 Ų | 144.3 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -0.7 | 139.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 95 | E | 35.9 | Very low | 32.8 | Very low | 161 Ų | 161 | 148.1 Ų | 148.1 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | cis | -171.5 | 179.9 | 9.3 | -122.3 | 179.5 | 104.8 | 0 | 0 | 108 | ||||
| 96 | Q | 36.4 | Very low | 32.7 | Very low | 151 Ų | 151 | 150.2 Ų | 150.2 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | cis | -144.7 | 164.6 | 2.6 | -163 | 174.3 | 92.6 | 0 | 0 | 111 | ||||
| 97 | L | 32.9 | Very low | 32.8 | Very low | 163 Ų | 163 | 150.9 Ų | 150.9 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -22.5 | 141.3 | 166.4 | -56 | 167.3 | 0 | 0 | 0 | 119.9 | ||||
| 98 | G | 32.6 | Very low | 32.3 | Very low | 85 Ų | 85 | 150.7 Ų | 150.7 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | trans | 171.6 | 79.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 99 | F | 26.6 | Very low | 32.4 | Very low | 200 Ų | 200 | 152.9 Ų | 152.9 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -96.2 | 133.8 | -174.2 | -170.3 | -86.1 | 0 | 0 | 0 | 112.4 | ||||
| 100 | C | 29.6 | Very low | 32.5 | Very low | 117 Ų | 117 | 150.3 Ų | 150.3 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -169.6 | 133.4 | 146.6 | -166.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 101 | E | 26.3 | Very low | 32.6 | Very low | 171 Ų | 171 | 144.4 Ų | 144.4 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -126 | 130.9 | 172 | 180 | 176.5 | -147.7 | 0 | 0 | 106.9 | ||||
| 102 | S | 34.6 | Very low | 32.6 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -160.5 | 129 | 170.2 | -83.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 103 | S | 31.9 | Very low | 32.7 | Very low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -64.2 | 156.5 | 169.7 | -46.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 104 | N | 33.9 | Very low | 32.9 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -152.4 | 103.1 | 153.5 | -102.7 | -25 | 0 | 0 | 0 | 110.2 | ||||
| 105 | E | 28.4 | Very low | 32.9 | Very low | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -73.3 | 150.7 | 141.5 | -63.4 | -172.6 | 103.2 | 0 | 0 | 107.8 | ||||
| 106 | M | 35.6 | Very low | 32.7 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | 169.2 | 138.3 | 136.5 | -89.2 | -102 | -92.7 | 0 | 0 | 113.6 | ||||
| 107 | L | 35.6 | Very low | 32.7 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | 73.3 | 100.5 | 147.7 | -63.2 | 164.9 | 0 | 0 | 0 | 120.8 | ||||
| 108 | Y | 29.2 | Very low | 32.8 | Very low | 201 Ų | 201 | 137 Ų | 137 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | 2.7 | 133.1 | 121 | -118 | -102.4 | 0 | 0 | 0 | 117 | |||||
| 109 | N | 35 | Very low | 32.9 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -148.6 | 125.2 | 139 | -140.9 | 9.1 | 0 | 0 | 0 | 111 | ||||
| 110 | S | 30.9 | Very low | 33.5 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | -95.8 | 138.1 | 170.3 | -60.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 111 | G | 35.9 | Very low | 33.9 | Very low | 77 Ų | 77 | 136.4 Ų | 136.4 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -145.6 | 102.5 | 176 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 112 | S | 33.3 | Very low | 34.4 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | -73.2 | 171.6 | 156.6 | 60.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 113 | D | 34.7 | Very low | 34.4 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | cis | -153.7 | -170.4 | 24.5 | -96.7 | -63.4 | 0 | 0 | 0 | 110 | ||||
| 114 | E | 36.8 | Very low | 34.6 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | 107.3 | 131.5 | 145.8 | -54 | -143.6 | 115.4 | 0 | 0 | 118.8 | ||||
| 115 | S | 35.1 | Very low | 34.8 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -107.1 | 152.4 | -167.6 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 116 | C | 32.5 | Very low | 35 | Very low | 136 Ų | 136 | 136.8 Ų | 136.8 | 92% | 0.919 | 79% | 0.79 | S | S | * | * | trans | -136.9 | 135.7 | 154.1 | -164.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 117 | S | 34.7 | Very low | 35 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -121.9 | 160 | -164.3 | 56 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 118 | S | 36.3 | Very low | 35 | Very low | 89 Ų | 89 | 132.5 Ų | 132.5 | 62% | 0.622 | 80% | 0.802 | S | S | * | * | trans | 70 | 115.2 | 160.7 | -176.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 119 | F | 34.9 | Very low | 35.3 | Very low | 192 Ų | 192 | 127.6 Ų | 127.6 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | -175.2 | 106.2 | 112.7 | -99.6 | -78.4 | 0 | 0 | 0 | 106.4 | |||||
| 120 | S | 39.4 | Very low | 35.6 | Very low | 109 Ų | 109 | 125 Ų | 125 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | 49.2 | 128.3 | 96.5 | -67.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 121 | A | 37.5 | Very low | 36.3 | Very low | 88 Ų | 88 | 125.4 Ų | 125.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -161.8 | 179 | 12.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 122 | Q | 37 | Very low | 36.6 | Very low | 168 Ų | 168 | 128 Ų | 128 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 87.5 | 95.9 | 155.8 | -87.3 | 161 | -106.7 | 0 | 0 | 122.4 | ||||
| 123 | R | 34.4 | Very low | 37 | Very low | 219 Ų | 219 | 130.4 Ų | 130.4 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | 48 | 109.3 | 127.8 | -52.8 | -179.5 | -158 | -158.4 | 5.8 | 119.3 | |||||
| 124 | D | 36.4 | Very low | 37.5 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | -168.2 | 154.8 | 93.9 | -98.4 | -27.6 | 0 | 0 | 0 | 111.6 | |||||
| 125 | P | 37.9 | Very low | 38 | Very low | 128 Ų | 128 | 129 Ų | 129 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | trans | -99.4 | 112.4 | -175.4 | 35.2 | -29 | 0 | 0 | 0 | 113.1 | ||||
| 126 | G | 32.4 | Very low | 38.7 | Very low | 75 Ų | 75 | 126.9 Ų | 126.9 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | 172 | 142.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 127 | A | 35.1 | Very low | 39.4 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 94% | 0.942 | 74% | 0.737 | S | S | * | * | trans | 67.7 | 64.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 128 | A | 36.7 | Very low | 40.2 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | trans | -142.5 | 145.4 | 146.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 129 | D | 34.2 | Very low | 40.6 | Very low | 98 Ų | 98 | 127.6 Ų | 127.6 | 52% | 0.524 | 73% | 0.728 | S | S | . | * | cis | -144.9 | 129.2 | 3 | 167.1 | 19.9 | 0 | 0 | 0 | 107.9 | S131 | D129-S131 PolarHBondContact OD1-N 3.08Š| ||
| 130 | S | 41 | Very low | 41.2 | Very low | 112 Ų | 112 | 125.2 Ų | 125.2 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | trans | -119.9 | 10.1 | 177.8 | -66.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 131 | S | 46.2 | Very low | 41.6 | Very low | 107 Ų | 107 | 125 Ų | 125 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -98 | -1.4 | -167.7 | -161.2 | 0 | 0 | 0 | 0 | 115 | D129 | D129-S131 PolarHBondContact OD1-N 3.08Š|
| 132 | L | 43 | Very low | 42.1 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 69% | 0.686 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -109.6 | 2.8 | -178.4 | -64 | 178.5 | 0 | 0 | 0 | 114.8 | L134 | L132-L134 VanDerWaalsContact C-N 3.31Å; L132-L134 PolarHBondContact O-N 2.87Å |
| 133 | R | 40.8 | Very low | 42.1 | Very low | 151 Ų | 151 | 124.2 Ų | 124.2 | 57% | 0.57 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 19.9 | -168.7 | -45.6 | -161.8 | 78.4 | 156.1 | 12.2 | 115.9 | E136 | R133-E136 WeakPolarHBondContact CB-OE2 3.4Å; R133-E136 WeakPolarHBondContact CG-OE2 3.31Å; R133-E136 IonicContact CZ-OE2 2.73Å; R133-E136 VanDerWaalsContact CZ-OE2 3.31Å; R133-E136 IonicContact NE-OE2 2.92Å; R133-E136 PolarHBondContact NE-OE2 3.27Å; R133-E136 IonicContact NH2-OE1 3.22Å; R133-E136 PolarHBondContact NH2-OE1 3.23Å; R133-E136 IonicContact NH2-OE2 2.69Å; R133-E136 PolarHBondContact NH2-OE2 2.97Å |
| 134 | L | 46.2 | Very low | 42.3 | Very low | 161 Ų | 161 | 118.7 Ų | 118.7 | 84% | 0.843 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -25.1 | 177.8 | -76.5 | 175.3 | 0 | 0 | 0 | 113.7 | L132 | L132-L134 VanDerWaalsContact C-N 3.31Å; L132-L134 PolarHBondContact O-N 2.87Å |
| 135 | D | 46.5 | Very low | 42.2 | Very low | 141 Ų | 141 | 114.4 Ų | 114.4 | 75% | 0.754 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -84.3 | -24.9 | 174 | -69.4 | -61.7 | 0 | 0 | 0 | 113 | N137 L138 | D135-N137 PolarHBondContact O-N 2.86Å; D135-L138 PolarHBondContact O-N 3.21Å |
| 136 | E | 49.9 | Very low | 42.2 | Very low | 81 Ų | 81 | 116.9 Ų | 116.9 | 38% | 0.379 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -60.3 | -30.6 | 177.4 | -69.2 | -171.8 | 119 | 0 | 0 | 112.9 | R133 L138 N139 E140 | R133-E136 WeakPolarHBondContact CB-OE2 3.4Å; R133-E136 WeakPolarHBondContact CG-OE2 3.31Å; R133-E136 IonicContact CZ-OE2 2.73Å; R133-E136 VanDerWaalsContact CZ-OE2 3.31Å; R133-E136 IonicContact NE-OE2 2.92Å; R133-E136 PolarHBondContact NE-OE2 3.27Å; R133-E136 IonicContact NH2-OE1 3.22Å; R133-E136 PolarHBondContact NH2-OE1 3.23Å; R133-E136 IonicContact NH2-OE2 2.69Å; R133-E136 PolarHBondContact NH2-OE2 2.97Å; E136-L138 PolarHBondContact O-N 3.09Å; E136-L138 VanDerWaalsContact O-N 3.11Å; E136-N139 PolarHBondContact O-N 3.38Å; E136-E140 PolarHBondContact O-N 3.14Å |
| 137 | N | 46.1 | Very low | 43.2 | Very low | 122 Ų | 122 | 116.7 Ų | 116.7 | 65% | 0.652 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -68.3 | -10.8 | -177.6 | -125.3 | -76.3 | 0 | 0 | 0 | 114.2 | D135 | D135-N137 PolarHBondContact O-N 2.86Å |
| 138 | L | 52.8 | Low | 44.4 | Very low | 119 Ų | 119 | 114.4 Ų | 114.4 | 62% | 0.623 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -89.6 | -21.3 | 170.6 | -146.9 | 86.4 | 0 | 0 | 0 | 112.6 | D135 E136 I151 | D135-L138 PolarHBondContact O-N 3.21Å; E136-L138 PolarHBondContact O-N 3.09Å; E136-L138 VanDerWaalsContact O-N 3.11Å; L138-I151 HydrophobicContact CD2-CD1 4.04Å |
| 139 | N | 44.8 | Very low | 45.9 | Very low | 104 Ų | 104 | 111.6 Ų | 111.6 | 56% | 0.556 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -99.3 | -30.5 | -178 | -94 | -5.9 | 0 | 0 | 0 | 113.2 | E136 L141 R142 | E136-N139 PolarHBondContact O-N 3.38Å; N139-L141 PolarHBondContact O-N 3.11Å; N139-L141 VanDerWaalsContact O-N 3.14Å; N139-R142 VanDerWaalsContact O-CB 3.31Å; N139-R142 WeakPolarHBondContact O-CB 3.45Å; N139-R142 PolarHBondContact O-N 3.31Å; N139-R142 WeakPolarHBondContact OD1-CD 3.35Å; N139-R142 PolarHBondContact OD1-NE 3.15Å |
| 140 | E | 47 | Very low | 48.2 | Very low | 142 Ų | 142 | 108.7 Ų | 108.7 | 66% | 0.664 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -64.6 | -17.3 | 177.6 | -81.8 | -173.3 | 121.2 | 0 | 0 | 113.9 | E136 R142 | E136-E140 PolarHBondContact O-N 3.14Å; E140-R142 VanDerWaalsContact C-N 3.33Å |
| 141 | L | 48.2 | Very low | 50.4 | Low | 105 Ų | 105 | 106.1 Ų | 106.1 | 55% | 0.55 | 60% | 0.602 | S | S | . | * | G | 310 helix | trans | -85.2 | 1.8 | 172.7 | -140.9 | 77.9 | 0 | 0 | 0 | 114.1 | N139 T148 F205 | N139-L141 PolarHBondContact O-N 3.11Å; N139-L141 VanDerWaalsContact O-N 3.14Å; L141-T148 HydrophobicContact CD2-CG2 4.26Å; L141-T148 HydrophobicContact CG-CG2 4.27Å; L141-F205 HydrophobicContact CD2-CE1 4.22Å |
| 142 | R | 46.7 | Very low | 52.4 | Low | 133 Ų | 133 | 106.2 Ų | 106.2 | 50% | 0.502 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | -84.6 | -6.1 | -178.1 | -73 | -174.2 | 170.7 | -105.7 | 1 | 115.4 | N139 E140 E152 | N139-R142 VanDerWaalsContact O-CB 3.31Å; N139-R142 WeakPolarHBondContact O-CB 3.45Å; N139-R142 PolarHBondContact O-N 3.31Å; N139-R142 WeakPolarHBondContact OD1-CD 3.35Å; N139-R142 PolarHBondContact OD1-NE 3.15Å; E140-R142 VanDerWaalsContact C-N 3.33Å; R142-E152 IonicContact CZ-OE1 3.2Å; R142-E152 IonicContact NH1-OE1 2.73Å; R142-E152 PolarHBondContact NH1-OE1 3.07Å; R142-E152 IonicContact NH2-OE1 3.65Å; R142-E152 PolarHBondContact NH2-OE1 3.49Å |
| 143 | S | 37.6 | Very low | 54.7 | Low | 106 Ų | 106 | 104.7 Ų | 104.7 | 74% | 0.741 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -133.9 | 37 | -166.7 | -65.9 | 0 | 0 | 0 | 0 | 116.3 | ||
| 144 | S | 37.9 | Very low | 57.2 | Low | 103 Ų | 103 | 97.7 Ų | 97.7 | 72% | 0.72 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -152.3 | 102.8 | 165.7 | -86.6 | 0 | 0 | 0 | 0 | 115.4 | ||
| 145 | G | 35.5 | Very low | 59.4 | Low | 66 Ų | 66 | 93.1 Ų | 93.1 | 68% | 0.68 | 53% | 0.528 | S | S | * | . | trans | 61.3 | 101.8 | 136.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | G147 | G145-G147 PolarHBondContact O-N 2.92Š| ||
| 146 | N | 38.5 | Very low | 61.7 | Low | 181 Ų | 181 | 90 Ų | 90 | 97% | 0.968 | 52% | 0.517 | S | S | * | . | S | Bend | trans | 62.5 | 29.1 | 144.1 | -62.9 | 6.6 | 0 | 0 | 0 | 119.5 | ||
| 147 | G | 53.1 | Low | 63.8 | Low | 70 Ų | 70 | 86.7 Ų | 86.7 | 72% | 0.722 | 50% | 0.502 | S | S | * | . | trans | -169.1 | -6.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | G145 V149 | G145-G147 PolarHBondContact O-N 2.92Å; G147-V149 PolarHBondContact O-N 3.13Å | ||
| 148 | T | 59.3 | Low | 66.2 | Low | 67 Ų | 67 | 81 Ų | 81 | 41% | 0.411 | 47% | 0.471 | S | S | . | . | trans | -89.4 | 97 | -177.8 | 51 | 0 | 0 | 0 | 0 | 110.8 | L141 A150 | L141-T148 HydrophobicContact CD2-CG2 4.26Å; L141-T148 HydrophobicContact CG-CG2 4.27Å; T148-A150 PolarHBondContact O-N 3.38Å; T148-A150 VanDerWaalsContact O-N 3.08Å | ||
| 149 | V | 68.5 | Low | 68.1 | Low | 43 Ų | 43 | 82.7 Ų | 82.7 | 26% | 0.261 | 47% | 0.469 | S | S | . | . | trans | -49.3 | 116.7 | 166.2 | 173.8 | 0 | 0 | 0 | 0 | 108.2 | G147 E153 L154 F205 K212 | G147-V149 PolarHBondContact O-N 3.13Å; V149-E153 HydrophobicContact CG1-CB 4.24Å; V149-L154 HydrophobicContact CG1-CB 4.36Å; V149-F205 VanDerWaalsContact O-CZ 3.24Å; V149-F205 WeakPolarHBondContact O-CZ 3.19Å; V149-K212 HydrophobicContact CG1-CD 4.19Å | ||
| 150 | A | 81.8 | Confident | 70.5 | Confident | 38 Ų | 38 | 82.9 Ų | 82.9 | 31% | 0.314 | 46% | 0.463 | S | S | . | . | trans | -63.1 | 147.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | T148 E152 E153 L154 | T148-A150 PolarHBondContact O-N 3.38Å; T148-A150 VanDerWaalsContact O-N 3.08Å; A150-E152 PolarHBondContact O-N 3.22Å; A150-E153 HydrophobicContact CB-CB 4.37Å; A150-E153 HydrophobicContact CB-CG 4.02Å; A150-E153 PolarHBondContact N-OE2 2.95Å; A150-E153 WeakPolarHBondContact O-CB 3.45Å; A150-E153 PolarHBondContact O-N 2.97Å; A150-E153 VanDerWaalsContact O-N 3.12Å; A150-L154 PolarHBondContact O-N 3.11Å; A150-L154 VanDerWaalsContact O-N 3.13Å | ||
| 151 | I | 87.1 | Confident | 72.8 | Confident | 58 Ų | 58 | 76.1 Ų | 76.1 | 30% | 0.297 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.3 | -37.8 | 177 | -167.2 | 169.1 | 0 | 0 | 0 | 111 | L138 L154 E155 F205 | L138-I151 HydrophobicContact CD2-CD1 4.04Å; I151-L154 WeakPolarHBondContact O-CB 3.45Å; I151-L154 PolarHBondContact O-N 3.14Å; I151-L154 VanDerWaalsContact O-N 3.14Å; I151-E155 WeakPolarHBondContact O-CG 3.35Å; I151-E155 PolarHBondContact O-N 3.01Å; I151-F205 HydrophobicContact CB-CE2 4.42Å |
| 152 | E | 88.7 | Confident | 74.9 | Confident | 109 Ų | 109 | 75.8 Ų | 75.8 | 51% | 0.509 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 175.7 | -68.4 | 161.6 | -143.9 | 0 | 0 | 113.1 | R142 A150 L154 E155 S156 | R142-E152 IonicContact CZ-OE1 3.2Å; R142-E152 IonicContact NH1-OE1 2.73Å; R142-E152 PolarHBondContact NH1-OE1 3.07Å; R142-E152 IonicContact NH2-OE1 3.65Å; R142-E152 PolarHBondContact NH2-OE1 3.49Å; A150-E152 PolarHBondContact O-N 3.22Å; E152-L154 PolarHBondContact O-N 3.13Å; E152-E155 PolarHBondContact O-N 3.29Å; E152-S156 WeakPolarHBondContact O-CB 3.49Å; E152-S156 PolarHBondContact O-N 3.04Å |
| 153 | E | 91.8 | Very high | 77.1 | Confident | 98 Ų | 98 | 75.2 Ų | 75.2 | 46% | 0.458 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.2 | -29.7 | 173.4 | -72 | 172.5 | -162 | 0 | 0 | 112.6 | V149 A150 F157 | V149-E153 HydrophobicContact CG1-CB 4.24Å; A150-E153 HydrophobicContact CB-CB 4.37Å; A150-E153 HydrophobicContact CB-CG 4.02Å; A150-E153 PolarHBondContact N-OE2 2.95Å; A150-E153 WeakPolarHBondContact O-CB 3.45Å; A150-E153 PolarHBondContact O-N 2.97Å; A150-E153 VanDerWaalsContact O-N 3.12Å; E153-F157 WeakPolarHBondContact O-CB 3.19Å; E153-F157 PolarHBondContact O-N 3.46Å |
| 154 | L | 92.9 | Very high | 79.5 | Confident | 5 Ų | 5 | 70.6 Ų | 70.6 | 3% | 0.026 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -80.3 | -38.7 | -178.8 | -168.3 | 60.5 | 0 | 0 | 0 | 111.1 | V149 A150 I151 E152 A158 F205 M208 K212 | V149-L154 HydrophobicContact CG1-CB 4.36Å; A150-L154 PolarHBondContact O-N 3.11Å; A150-L154 VanDerWaalsContact O-N 3.13Å; I151-L154 WeakPolarHBondContact O-CB 3.45Å; I151-L154 PolarHBondContact O-N 3.14Å; I151-L154 VanDerWaalsContact O-N 3.14Å; E152-L154 PolarHBondContact O-N 3.13Å; L154-A158 WeakPolarHBondContact O-CB 3.24Å; L154-A158 PolarHBondContact O-N 3.26Å; L154-F205 HydrophobicContact CD2-CD2 3.87Å; L154-F205 HydrophobicContact CD2-CE2 4.07Å; L154-M208 HydrophobicContact CD1-CB 4Å; L154-M208 HydrophobicContact CD1-CE 4.3Å; L154-M208 HydrophobicContact CD2-CB 3.29Å; L154-M208 HydrophobicContact CD2-CE 4.48Å; L154-M208 HydrophobicContact CD2-CG 4.1Å; L154-M208 HydrophobicContact CG-CB 3.97Å; L154-M208 HydrophobicContact CG-CE 4.12Å; L154-K212 HydrophobicContact CD1-CB 4.06Å; L154-K212 HydrophobicContact CD1-CD 4.04Å |
| 155 | E | 93.3 | Very high | 82.1 | Confident | 64 Ų | 64 | 66.7 Ų | 66.7 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64 | -47.3 | 169 | -60 | -157.3 | 163.9 | 0 | 0 | 112 | I151 E152 F157 A158 R159 L201 | I151-E155 WeakPolarHBondContact O-CG 3.35Å; I151-E155 PolarHBondContact O-N 3.01Å; E152-E155 PolarHBondContact O-N 3.29Å; E155-F157 VanDerWaalsContact C-N 3.34Å; E155-F157 PolarHBondContact O-N 2.69Å; E155-A158 PolarHBondContact O-N 3.22Å; E155-R159 WeakPolarHBondContact O-CB 3.37Å; E155-R159 WeakPolarHBondContact O-CG 3.47Å; E155-R159 PolarHBondContact O-N 2.95Å; E155-R159 IonicContact OE2-CZ 2.88Å; E155-R159 IonicContact OE2-NH1 3.55Å; E155-R159 PolarHBondContact OE2-NH1 3.33Å; E155-R159 IonicContact OE2-NH2 3.82Å; E155-R159 PolarHBondContact OE2-NH2 2.95Å; E155-L201 HydrophobicContact CB-CD1 4.24Å; E155-L201 HydrophobicContact CG-CD1 3.74Å |
| 156 | S | 93.5 | Very high | 84.6 | Confident | 76 Ų | 76 | 68 Ų | 68 | 53% | 0.531 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -52.3 | -53.3 | 174.8 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | E152 A158 R159 Y160 | E152-S156 WeakPolarHBondContact O-CB 3.49Å; E152-S156 PolarHBondContact O-N 3.04Å; S156-A158 PolarHBondContact O-N 3.37Å; S156-R159 PolarHBondContact O-N 3.46Å; S156-Y160 WeakPolarHBondContact O-CB 3.21Å; S156-Y160 PolarHBondContact O-N 3Å |
| 157 | F | 95.6 | Very high | 86.8 | Confident | 12 Ų | 12 | 67.6 Ų | 67.6 | 5% | 0.053 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.3 | -44 | 178.7 | 179.5 | -90.6 | 0 | 0 | 0 | 112.7 | E153 E155 R159 Y160 F161 F198 K212 L215 E216 | E153-F157 WeakPolarHBondContact O-CB 3.19Å; E153-F157 PolarHBondContact O-N 3.46Å; E155-F157 VanDerWaalsContact C-N 3.34Å; E155-F157 PolarHBondContact O-N 2.69Å; F157-R159 PolarHBondContact O-N 3.48Å; F157-Y160 PolarHBondContact O-N 2.95Å; F157-F161 HydrophobicContact CE1-CB 4.12Å; F157-F161 HydrophobicContact CZ-CB 4.27Å; F157-F161 HydrophobicContact CZ-CD2 4.4Å; F157-F161 WeakPolarHBondContact O-CB 3.43Å; F157-F161 PolarHBondContact O-N 3.08Å; F157-F198 AromaticContact CD1-CE1 3.81Å; F157-F198 HydrophobicContact CD1-CE1 3.81Å; F157-F198 AromaticContact CD1-CZ 3.62Å; F157-F198 HydrophobicContact CD1-CZ 3.62Å; F157-F198 AromaticContact CE1-CE1 3.66Å; F157-F198 HydrophobicContact CE1-CE1 3.66Å; F157-F198 AromaticContact CE1-CZ 3.59Å; F157-F198 HydrophobicContact CE1-CZ 3.59Å; F157-K212 HydrophobicContact CB-CD 4.21Å; F157-K212 HydrophobicContact CD1-CB 4.41Å; F157-K212 HydrophobicContact CD1-CD 4.28Å; F157-K212 HydrophobicContact CD1-CG 3.87Å; F157-K212 HydrophobicContact CD2-CG 4.35Å; F157-K212 HydrophobicContact CE1-CB 4.49Å; F157-K212 HydrophobicContact CE1-CG 4.1Å; F157-K212 HydrophobicContact CG-CD 4.06Å; F157-K212 HydrophobicContact CG-CG 4.01Å; F157-K212 HydrophobicContact CZ-CG 4.46Å; F157-L215 HydrophobicContact CE1-CB 4.08Å; F157-L215 HydrophobicContact CZ-CB 4.09Å; F157-E216 HydrophobicContact CE2-CB 3.58Å; F157-E216 HydrophobicContact CE2-CG 3.75Å; F157-E216 HydrophobicContact CZ-CB 3.7Å; F157-E216 HydrophobicContact CZ-CG 4.39Å |
| 158 | A | 95.5 | Very high | 88 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L154 E155 S156 K162 F198 L201 M208 | L154-A158 WeakPolarHBondContact O-CB 3.24Å; L154-A158 PolarHBondContact O-N 3.26Å; E155-A158 PolarHBondContact O-N 3.22Å; S156-A158 PolarHBondContact O-N 3.37Å; A158-K162 WeakPolarHBondContact O-CB 3.36Å; A158-K162 PolarHBondContact O-N 3.32Å; A158-K162 VanDerWaalsContact O-N 3.08Å; A158-F198 HydrophobicContact CB-CE1 4.14Å; A158-L201 HydrophobicContact CB-CD2 3.58Å; A158-M208 HydrophobicContact CB-CE 4.5Å |
| 159 | R | 94 | Very high | 87.8 | Confident | 155 Ų | 155 | 64.9 Ų | 64.9 | 59% | 0.585 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.1 | -44 | 174.1 | -69.5 | 175.8 | -174.4 | 124.7 | 10.4 | 111.4 | E155 S156 F157 K163 | E155-R159 WeakPolarHBondContact O-CB 3.37Å; E155-R159 WeakPolarHBondContact O-CG 3.47Å; E155-R159 PolarHBondContact O-N 2.95Å; E155-R159 IonicContact OE2-CZ 2.88Å; E155-R159 IonicContact OE2-NH1 3.55Å; E155-R159 PolarHBondContact OE2-NH1 3.33Å; E155-R159 IonicContact OE2-NH2 3.82Å; E155-R159 PolarHBondContact OE2-NH2 2.95Å; S156-R159 PolarHBondContact O-N 3.46Å; F157-R159 PolarHBondContact O-N 3.48Å; R159-K163 VanDerWaalsContact O-CB 3.31Å; R159-K163 WeakPolarHBondContact O-CB 3.41Å; R159-K163 PolarHBondContact O-N 3.28Å |
| 160 | Y | 94 | Very high | 87.3 | Confident | 109 Ų | 109 | 72.8 Ų | 72.8 | 43% | 0.427 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.2 | -53.2 | 176.5 | 176.2 | -113.6 | 0 | 0 | 0 | 111.5 | S156 F157 K162 K163 T164 L219 E223 | S156-Y160 WeakPolarHBondContact O-CB 3.21Å; S156-Y160 PolarHBondContact O-N 3Å; F157-Y160 PolarHBondContact O-N 2.95Å; Y160-K162 VanDerWaalsContact C-N 3.34Å; Y160-K162 PolarHBondContact O-N 2.8Å; Y160-K163 WeakPolarHBondContact O-CB 3.34Å; Y160-K163 PolarHBondContact O-N 3.03Å; Y160-K163 VanDerWaalsContact O-N 3.08Å; Y160-T164 WeakPolarHBondContact CE2-OG1 3.45Å; Y160-T164 PolarHBondContact O-N 2.8Å; Y160-T164 PolarHBondContact O-OG1 2.9Å; Y160-L219 HydrophobicContact CD1-CD2 3.75Å; Y160-L219 HydrophobicContact CE1-CD2 3.44Å; Y160-L219 VanDerWaalsContact CE1-CD2 3.44Å; Y160-E223 PolarHBondContact OH-OE1 2.88Å |
| 161 | F | 94.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -52.1 | -48.6 | 176.5 | 171.5 | -89.7 | 0 | 0 | 0 | 112.2 | F157 K163 T164 R165 V178 I195 F198 E199 L215 W218 L219 | F157-F161 HydrophobicContact CE1-CB 4.12Å; F157-F161 HydrophobicContact CZ-CB 4.27Å; F157-F161 HydrophobicContact CZ-CD2 4.4Å; F157-F161 WeakPolarHBondContact O-CB 3.43Å; F157-F161 PolarHBondContact O-N 3.08Å; F161-K163 PolarHBondContact O-N 2.84Å; F161-T164 PolarHBondContact O-N 3.43Å; F161-R165 VanDerWaalsContact O-CB 3.28Å; F161-R165 WeakPolarHBondContact O-CB 3.46Å; F161-R165 PolarHBondContact O-N 3Å; F161-V178 HydrophobicContact CZ-CG1 4.13Å; F161-I195 HydrophobicContact CE1-CG2 3.95Å; F161-I195 HydrophobicContact CZ-CG2 4.25Å; F161-F198 HydrophobicContact CD1-CD1 4.44Å; F161-E199 HydrophobicContact CD1-CG 4.09Å; F161-E199 HydrophobicContact CE1-CG 4.08Å; F161-L215 HydrophobicContact CD2-CB 4.06Å; F161-L215 HydrophobicContact CE2-CB 3.87Å; F161-L215 HydrophobicContact CE2-CD2 3.85Å; F161-L215 HydrophobicContact CE2-CG 4.31Å; F161-L215 HydrophobicContact CZ-CD2 3.85Å; F161-W218 AromaticContact CE2-CE3 3.74Å; F161-W218 HydrophobicContact CE2-CE3 3.74Å; F161-W218 AromaticContact CE2-CZ3 3.77Å; F161-W218 HydrophobicContact CE2-CZ3 3.77Å; F161-W218 HydrophobicContact CZ-CE3 4.49Å; F161-W218 HydrophobicContact CZ-CZ3 4.3Å; F161-L219 HydrophobicContact CD2-CD1 4.21Å; F161-L219 HydrophobicContact CD2-CD2 4.44Å |
| 162 | K | 93.8 | Very high | 85.8 | Confident | 97 Ų | 97 | 74.8 Ų | 74.8 | 42% | 0.422 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 176.9 | -177.5 | -179.9 | -175.1 | -180 | 0 | 111.8 | A158 Y160 I166 E199 | A158-K162 WeakPolarHBondContact O-CB 3.36Å; A158-K162 PolarHBondContact O-N 3.32Å; A158-K162 VanDerWaalsContact O-N 3.08Å; Y160-K162 VanDerWaalsContact C-N 3.34Å; Y160-K162 PolarHBondContact O-N 2.8Å; K162-I166 HydrophobicContact CG-CD1 3.98Å; K162-I166 WeakPolarHBondContact O-CD1 3.47Å; K162-I166 VanDerWaalsContact O-CG1 3.28Å; K162-I166 WeakPolarHBondContact O-CG1 3.27Å; K162-I166 PolarHBondContact O-N 3.31Å; K162-E199 HydrophobicContact CB-CG 4.09Å; K162-E199 HydrophobicContact CD-CB 4.3Å; K162-E199 HydrophobicContact CG-CG 4.34Å |
| 163 | K | 91.4 | Very high | 85.6 | Confident | 121 Ų | 121 | 70 Ų | 70 | 53% | 0.526 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 179.7 | -177 | 177.3 | -178.6 | 177.1 | 0 | 111.4 | R159 Y160 F161 R167 | R159-K163 VanDerWaalsContact O-CB 3.31Å; R159-K163 WeakPolarHBondContact O-CB 3.41Å; R159-K163 PolarHBondContact O-N 3.28Å; Y160-K163 WeakPolarHBondContact O-CB 3.34Å; Y160-K163 PolarHBondContact O-N 3.03Å; Y160-K163 VanDerWaalsContact O-N 3.08Å; F161-K163 PolarHBondContact O-N 2.84Å; K163-R167 WeakPolarHBondContact O-CB 3.37Å; K163-R167 PolarHBondContact O-N 3.26Å; K163-R167 VanDerWaalsContact O-N 3.11Å |
| 164 | T | 89.7 | Confident | 85.6 | Confident | 10 Ų | 10 | 68.8 Ų | 68.8 | 6% | 0.061 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.7 | -52.1 | 177.4 | -62.3 | 0 | 0 | 0 | 0 | 110.6 | Y160 F161 I166 R167 L168 L219 E223 | Y160-T164 WeakPolarHBondContact CE2-OG1 3.45Å; Y160-T164 PolarHBondContact O-N 2.8Å; Y160-T164 PolarHBondContact O-OG1 2.9Å; F161-T164 PolarHBondContact O-N 3.43Å; T164-I166 PolarHBondContact O-N 3.08Å; T164-I166 VanDerWaalsContact O-N 3.08Å; T164-R167 CarbonylContact O-C 3.09Å; T164-R167 WeakPolarHBondContact O-CA 3.46Å; T164-R167 PolarHBondContact O-N 3.49Å; T164-L168 HydrophobicContact CG2-CD1 4.07Å; T164-L168 HydrophobicContact CG2-CD2 3.79Å; T164-L168 HydrophobicContact CG2-CG 3.84Å; T164-L168 VanDerWaalsContact O-CG 3.31Å; T164-L168 WeakPolarHBondContact O-CG 3.4Å; T164-L168 PolarHBondContact O-N 2.86Å; T164-L219 HydrophobicContact CG2-CD1 3.53Å; T164-L219 HydrophobicContact CG2-CD2 4.38Å; T164-L219 HydrophobicContact CG2-CG 4.05Å; T164-E223 HydrophobicContact CG2-CG 4.46Å; T164-E223 WeakPolarHBondContact CG2-OE1 3.47Å |
| 165 | R | 91.3 | Very high | 85.5 | Confident | 21 Ų | 21 | 70.3 Ų | 70.3 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -47 | -44.1 | 176.9 | -177.8 | -175.7 | 60.2 | 84.8 | -7 | 113.3 | F161 F173 V178 E199 | F161-R165 VanDerWaalsContact O-CB 3.28Å; F161-R165 WeakPolarHBondContact O-CB 3.46Å; F161-R165 PolarHBondContact O-N 3Å; R165-F173 HydrophobicContact CG-CB 3.75Å; R165-F173 WeakPolarHBondContact CG-O 3.33Å; R165-F173 PolarHBondContact NH1-O 2.82Å; R165-F173 PolarHBondContact O-N 3.23Å; R165-V178 VanDerWaalsContact CD-CG2 3.42Å; R165-V178 HydrophobicContact CG-CG2 3.74Å; R165-E199 IonicContact CZ-OE1 2.84Å; R165-E199 IonicContact CZ-OE2 2.64Å; R165-E199 IonicContact NE-OE1 3.4Å; R165-E199 PolarHBondContact NE-OE1 2.8Å; R165-E199 IonicContact NE-OE2 3.31Å; R165-E199 VanDerWaalsContact NH2-CD 3.25Å; R165-E199 IonicContact NH2-OE1 3.58Å; R165-E199 PolarHBondContact NH2-OE1 3.42Å; R165-E199 IonicContact NH2-OE2 2.76Å; R165-E199 PolarHBondContact NH2-OE2 3.43Å |
| 166 | I | 88.2 | Confident | 85.3 | Confident | 94 Ų | 94 | 68.4 Ų | 68.4 | 48% | 0.482 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -74.1 | -31.7 | 179.4 | -64.7 | 167.7 | 0 | 0 | 0 | 111.8 | K162 T164 | K162-I166 HydrophobicContact CG-CD1 3.98Å; K162-I166 WeakPolarHBondContact O-CD1 3.47Å; K162-I166 VanDerWaalsContact O-CG1 3.28Å; K162-I166 WeakPolarHBondContact O-CG1 3.27Å; K162-I166 PolarHBondContact O-N 3.31Å; T164-I166 PolarHBondContact O-N 3.08Å; T164-I166 VanDerWaalsContact O-N 3.08Å |
| 167 | R | 85 | Confident | 85.1 | Confident | 172 Ų | 172 | 68 Ų | 68 | 65% | 0.649 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -85.1 | -28 | -175.2 | 174.4 | -179.6 | -72.4 | -165.4 | -13.4 | 114.9 | K163 T164 G169 | K163-R167 WeakPolarHBondContact O-CB 3.37Å; K163-R167 PolarHBondContact O-N 3.26Å; K163-R167 VanDerWaalsContact O-N 3.11Å; T164-R167 CarbonylContact O-C 3.09Å; T164-R167 WeakPolarHBondContact O-CA 3.46Å; T164-R167 PolarHBondContact O-N 3.49Å; R167-G169 WeakPolarHBondContact O-CA 3.31Å; R167-G169 PolarHBondContact O-N 3.08Å |
| 168 | L | 77.3 | Confident | 84.9 | Confident | 18 Ų | 18 | 67.5 Ų | 67.5 | 9% | 0.094 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -52.1 | 113.3 | -173.5 | -70.2 | 162.2 | 0 | 0 | 0 | 110.1 | T164 K170 F173 W218 T222 E223 L226 | T164-L168 HydrophobicContact CG2-CD1 4.07Å; T164-L168 HydrophobicContact CG2-CD2 3.79Å; T164-L168 HydrophobicContact CG2-CG 3.84Å; T164-L168 VanDerWaalsContact O-CG 3.31Å; T164-L168 WeakPolarHBondContact O-CG 3.4Å; T164-L168 PolarHBondContact O-N 2.86Å; L168-K170 PolarHBondContact O-N 3.11Å; L168-F173 HydrophobicContact CB-CD2 3.9Å; L168-F173 HydrophobicContact CB-CE2 3.73Å; L168-F173 HydrophobicContact CD1-CD2 3.78Å; L168-F173 HydrophobicContact CD1-CE2 3.67Å; L168-F173 HydrophobicContact CG-CD2 4.49Å; L168-F173 HydrophobicContact CG-CE2 4.33Å; L168-W218 HydrophobicContact CD1-CH2 4.27Å; L168-T222 HydrophobicContact CD1-CG2 3.87Å; L168-E223 HydrophobicContact CD2-CG 4.07Å; L168-L226 HydrophobicContact CB-CD1 3.88Å; L168-L226 HydrophobicContact CD2-CD1 3.36Å; L168-L226 HydrophobicContact CG-CD1 4.09Å |
| 169 | G | 55.3 | Low | 84.5 | Confident | 61 Ų | 61 | 67.5 Ų | 67.5 | 63% | 0.629 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 91.8 | -145.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R167 | R167-G169 WeakPolarHBondContact O-CA 3.31Å; R167-G169 PolarHBondContact O-N 3.08Å |
| 170 | K | 57.9 | Low | 84.2 | Confident | 209 Ų | 209 | 63.2 Ų | 63.2 | 91% | 0.909 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 177.3 | -30 | 154 | -103.7 | 169.5 | -175.7 | -179.4 | 0 | 109.6 | L168 | L168-K170 PolarHBondContact O-N 3.11Š|
| 171 | T | 62.2 | Low | 83.9 | Confident | 54 Ų | 54 | 58.1 Ų | 58.1 | 33% | 0.331 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -143.7 | 113.2 | 174.2 | 60.8 | 0 | 0 | 0 | 0 | 108 | F173 K234 | T171-F173 PolarHBondContact O-N 3.28Å; T171-F173 VanDerWaalsContact O-N 3.17Å; T171-K234 HydrophobicContact CG2-CD 3.88Å; T171-K234 VanDerWaalsContact CG2-NZ 3.34Å |
| 172 | S | 76.2 | Confident | 83.5 | Confident | 84 Ų | 84 | 58.1 Ų | 58.1 | 59% | 0.587 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 119.5 | 176.4 | 49 | 0 | 0 | 0 | 0 | 109.6 | T174 | S172-T174 PolarHBondContact O-N 3.42Š|
| 173 | F | 84.4 | Confident | 83.2 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 4% | 0.039 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 121.1 | 179.5 | -70.9 | -91.1 | 0 | 0 | 0 | 109.2 | R165 L168 T171 D177 V178 W218 T222 F231 | R165-F173 HydrophobicContact CG-CB 3.75Å; R165-F173 WeakPolarHBondContact CG-O 3.33Å; R165-F173 PolarHBondContact NH1-O 2.82Å; R165-F173 PolarHBondContact O-N 3.23Å; L168-F173 HydrophobicContact CB-CD2 3.9Å; L168-F173 HydrophobicContact CB-CE2 3.73Å; L168-F173 HydrophobicContact CD1-CD2 3.78Å; L168-F173 HydrophobicContact CD1-CE2 3.67Å; L168-F173 HydrophobicContact CG-CD2 4.49Å; L168-F173 HydrophobicContact CG-CE2 4.33Å; T171-F173 PolarHBondContact O-N 3.28Å; T171-F173 VanDerWaalsContact O-N 3.17Å; F173-D177 HydrophobicContact CB-CB 4.47Å; F173-D177 HydrophobicContact CD1-CB 4.09Å; F173-V178 HydrophobicContact CB-CG2 3.87Å; F173-V178 HydrophobicContact CG-CG2 4.5Å; F173-W218 HydrophobicContact CD1-CZ2 4.15Å; F173-W218 HydrophobicContact CD2-CH2 4.43Å; F173-W218 HydrophobicContact CE1-CZ2 4.21Å; F173-W218 HydrophobicContact CG-CH2 4.31Å; F173-W218 HydrophobicContact CG-CZ2 4.36Å; F173-W218 HydrophobicContact CZ-CZ2 4.47Å; F173-T222 HydrophobicContact CE2-CG2 3.91Å; F173-T222 HydrophobicContact CZ-CG2 3.75Å; F173-F231 AromaticContact CE1-CE1 3.75Å; F173-F231 HydrophobicContact CE1-CE1 3.75Å; F173-F231 HydrophobicContact CE1-CZ 4.19Å; F173-F231 HydrophobicContact CZ-CD1 4.22Å; F173-F231 AromaticContact CZ-CE1 3.44Å; F173-F231 HydrophobicContact CZ-CE1 3.44Å; F173-F231 VanDerWaalsContact CZ-CE1 3.44Å; F173-F231 HydrophobicContact CZ-CZ 4.08Å |
| 174 | T | 90.6 | Very high | 82.7 | Confident | 72 Ų | 72 | 53.5 Ų | 53.5 | 44% | 0.442 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 162.2 | 167.6 | 73.6 | 0 | 0 | 0 | 0 | 110 | S172 G176 D177 V178 | S172-T174 PolarHBondContact O-N 3.42Å; T174-G176 PolarHBondContact O-N 2.86Å; T174-G176 PolarHBondContact OG1-N 3.18Å; T174-D177 WeakPolarHBondContact CA-OD2 3.21Å; T174-D177 VanDerWaalsContact CB-OD2 3.24Å; T174-D177 WeakPolarHBondContact CB-OD2 3.47Å; T174-D177 VanDerWaalsContact CG2-OD2 3.29Å; T174-D177 WeakPolarHBondContact CG2-OD2 3.31Å; T174-D177 PolarHBondContact N-OD2 3.1Å; T174-D177 PolarHBondContact O-N 3.24Å; T174-D177 VanDerWaalsContact O-N 3.16Å; T174-D177 PolarHBondContact OG1-N 3.1Å; T174-D177 VanDerWaalsContact OG1-N 3.1Å; T174-D177 PolarHBondContact OG1-OD1 3.04Å; T174-D177 PolarHBondContact OG1-OD2 3.09Å; T174-V178 PolarHBondContact O-N 2.91Å |
| 175 | Q | 91.3 | Very high | 82.3 | Confident | 38 Ų | 38 | 57.2 Ų | 57.2 | 18% | 0.178 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.4 | -22.2 | 173.2 | -69 | 173.2 | -20.4 | 0 | 0 | 112.4 | Q192 I195 E199 | Q175-Q192 HydrophobicContact CB-CB 4.48Å; Q175-Q192 HydrophobicContact CB-CG 3.83Å; Q175-I195 HydrophobicContact CB-CB 4.21Å; Q175-I195 HydrophobicContact CB-CG2 4.13Å; Q175-I195 HydrophobicContact CG-CB 4.48Å; Q175-I195 HydrophobicContact CG-CG2 4.02Å; Q175-E199 PolarHBondContact NE2-OE2 2.82Å |
| 176 | G | 88.8 | Confident | 82 | Confident | 24 Ų | 24 | 58.2 Ų | 58.2 | 25% | 0.247 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -74 | -48.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T174 V178 G179 C180 | T174-G176 PolarHBondContact O-N 2.86Å; T174-G176 PolarHBondContact OG1-N 3.18Å; G176-V178 VanDerWaalsContact C-N 3.32Å; G176-V178 PolarHBondContact O-N 3.27Å; G176-G179 CarbonylContact O-C 3.59Å; G176-G179 WeakPolarHBondContact O-CA 3.34Å; G176-G179 PolarHBondContact O-N 2.64Å; G176-C180 PolarHBondContact O-N 3.39Å; G176-C180 PolarHBondContact O-SG 2.81Å |
| 177 | D | 89.9 | Confident | 81.7 | Confident | 68 Ų | 68 | 57.7 Ų | 57.7 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.5 | -41.9 | -177.2 | -53 | -35.6 | 0 | 0 | 0 | 112 | F173 T174 G179 C180 A181 | F173-D177 HydrophobicContact CB-CB 4.47Å; F173-D177 HydrophobicContact CD1-CB 4.09Å; T174-D177 WeakPolarHBondContact CA-OD2 3.21Å; T174-D177 VanDerWaalsContact CB-OD2 3.24Å; T174-D177 WeakPolarHBondContact CB-OD2 3.47Å; T174-D177 VanDerWaalsContact CG2-OD2 3.29Å; T174-D177 WeakPolarHBondContact CG2-OD2 3.31Å; T174-D177 PolarHBondContact N-OD2 3.1Å; T174-D177 PolarHBondContact O-N 3.24Å; T174-D177 VanDerWaalsContact O-N 3.16Å; T174-D177 PolarHBondContact OG1-N 3.1Å; T174-D177 VanDerWaalsContact OG1-N 3.1Å; T174-D177 PolarHBondContact OG1-OD1 3.04Å; T174-D177 PolarHBondContact OG1-OD2 3.09Å; D177-G179 VanDerWaalsContact C-N 3.34Å; D177-G179 PolarHBondContact O-N 2.99Å; D177-C180 PolarHBondContact O-N 3.44Å; D177-A181 VanDerWaalsContact O-CB 3.22Å; D177-A181 WeakPolarHBondContact O-CB 3.43Å; D177-A181 PolarHBondContact O-N 3.17Å |
| 178 | V | 90.7 | Very high | 81.4 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 173.4 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | F161 R165 F173 T174 G176 C180 A181 M182 I195 W218 | F161-V178 HydrophobicContact CZ-CG1 4.13Å; R165-V178 VanDerWaalsContact CD-CG2 3.42Å; R165-V178 HydrophobicContact CG-CG2 3.74Å; F173-V178 HydrophobicContact CB-CG2 3.87Å; F173-V178 HydrophobicContact CG-CG2 4.5Å; T174-V178 PolarHBondContact O-N 2.91Å; G176-V178 VanDerWaalsContact C-N 3.32Å; G176-V178 PolarHBondContact O-N 3.27Å; V178-C180 VanDerWaalsContact C-N 3.32Å; V178-C180 PolarHBondContact O-N 3.05Å; V178-A181 PolarHBondContact O-N 2.94Å; V178-M182 HydrophobicContact CG1-CG 4.35Å; V178-M182 HydrophobicContact CG1-SD 4.04Å; V178-M182 VanDerWaalsContact O-CG 3.28Å; V178-M182 WeakPolarHBondContact O-CG 3.28Å; V178-M182 PolarHBondContact O-N 2.93Å; V178-I195 HydrophobicContact CG1-CD1 4.33Å; V178-W218 HydrophobicContact CB-CH2 4.18Å; V178-W218 HydrophobicContact CB-CZ2 4.15Å; V178-W218 HydrophobicContact CG1-CD2 3.8Å; V178-W218 HydrophobicContact CG1-CE3 3.81Å; V178-W218 HydrophobicContact CG1-CH2 3.89Å; V178-W218 HydrophobicContact CG1-CZ2 3.88Å; V178-W218 HydrophobicContact CG1-CZ3 3.84Å; V178-W218 HydrophobicContact CG2-CH2 3.37Å; V178-W218 HydrophobicContact CG2-CZ2 3.67Å; V178-W218 HydrophobicContact CG2-CZ3 3.94Å |
| 179 | G | 88.7 | Confident | 81.8 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.9 | -42.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G176 D177 G183 A189 F190 | G176-G179 CarbonylContact O-C 3.59Å; G176-G179 WeakPolarHBondContact O-CA 3.34Å; G176-G179 PolarHBondContact O-N 2.64Å; D177-G179 VanDerWaalsContact C-N 3.34Å; D177-G179 PolarHBondContact O-N 2.99Å; G179-G183 PolarHBondContact O-N 3.18Å; G179-A189 CarbonylContact O-C 3.57Å; G179-A189 WeakPolarHBondContact O-CA 3.13Å; G179-A189 WeakPolarHBondContact O-CB 3.42Å; G179-F190 CarbonylContact C-O 3.56Å; G179-F190 WeakPolarHBondContact CA-O 3.36Å; G179-F190 PolarHBondContact O-N 3.05Å |
| 180 | C | 86.3 | Confident | 83.4 | Confident | 65 Ų | 65 | 50.6 Ų | 50.6 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -72.7 | -45.2 | 176.8 | -64.2 | 0 | 0 | 0 | 0 | 112.5 | G176 D177 V178 M182 G183 R184 | G176-C180 PolarHBondContact O-N 3.39Å; G176-C180 PolarHBondContact O-SG 2.81Å; D177-C180 PolarHBondContact O-N 3.44Å; V178-C180 VanDerWaalsContact C-N 3.32Å; V178-C180 PolarHBondContact O-N 3.05Å; C180-M182 PolarHBondContact O-N 2.79Å; C180-G183 CarbonylContact O-C 3.44Å; C180-G183 WeakPolarHBondContact O-CA 3.28Å; C180-G183 PolarHBondContact O-N 3.4Å; C180-R184 PolarHBondContact O-N 3.48Å |
| 181 | A | 87.6 | Confident | 84.9 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.5 | -42.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | D177 V178 G183 R184 L185 | D177-A181 VanDerWaalsContact O-CB 3.22Å; D177-A181 WeakPolarHBondContact O-CB 3.43Å; D177-A181 PolarHBondContact O-N 3.17Å; V178-A181 PolarHBondContact O-N 2.94Å; A181-G183 PolarHBondContact O-N 2.91Å; A181-R184 PolarHBondContact O-N 3.07Å; A181-L185 WeakPolarHBondContact O-CB 3.49Å; A181-L185 WeakPolarHBondContact O-CG 3.16Å; A181-L185 PolarHBondContact O-N 3.37Å |
| 182 | M | 87.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.2 | -24.1 | 172.6 | -65.1 | -176.9 | 85.5 | 0 | 0 | 113.4 | V178 C180 Y186 F188 F190 R214 L215 W218 | V178-M182 HydrophobicContact CG1-CG 4.35Å; V178-M182 HydrophobicContact CG1-SD 4.04Å; V178-M182 VanDerWaalsContact O-CG 3.28Å; V178-M182 WeakPolarHBondContact O-CG 3.28Å; V178-M182 PolarHBondContact O-N 2.93Å; C180-M182 PolarHBondContact O-N 2.79Å; M182-Y186 HydrophobicContact CB-CD2 4.2Å; M182-Y186 HydrophobicContact CE-CD2 4.41Å; M182-Y186 HydrophobicContact CE-CE2 4.42Å; M182-Y186 HydrophobicContact CG-CD2 4.37Å; M182-Y186 HydrophobicContact CG-CE2 4.33Å; M182-Y186 PolarHBondContact O-N 3.19Å; M182-F188 HydrophobicContact CE-CE2 3.57Å; M182-F188 HydrophobicContact CE-CZ 4.01Å; M182-F190 HydrophobicContact CE-CD2 4.13Å; M182-F190 HydrophobicContact CE-CE2 3.79Å; M182-F190 HydrophobicContact SD-CD2 3.62Å; M182-F190 HydrophobicContact SD-CE2 3.92Å; M182-R214 HydrophobicContact CE-CB 4.06Å; M182-R214 WeakPolarHBondContact CE-O 3.39Å; M182-L215 HydrophobicContact CE-CD2 4.07Å; M182-L215 HydrophobicContact SD-CD2 3.65Å; M182-W218 HydrophobicContact CE-CB 3.8Å; M182-W218 HydrophobicContact CE-CG 4.45Å; M182-W218 HydrophobicContact CG-CB 3.94Å; M182-W218 VanDerWaalsContact CG-CD1 3.48Å; M182-W218 HydrophobicContact CG-CD2 4.38Å; M182-W218 HydrophobicContact CG-CG 3.62Å; M182-W218 HydrophobicContact SD-CB 4.08Å; M182-W218 HydrophobicContact SD-CG 4.12Å |
| 183 | G | 86.1 | Confident | 87.1 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63 | -53.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G179 C180 A181 N187 A189 | G179-G183 PolarHBondContact O-N 3.18Å; C180-G183 CarbonylContact O-C 3.44Å; C180-G183 WeakPolarHBondContact O-CA 3.28Å; C180-G183 PolarHBondContact O-N 3.4Å; A181-G183 PolarHBondContact O-N 2.91Å; G183-N187 VanDerWaalsContact O-CA 3.29Å; G183-N187 WeakPolarHBondContact O-CA 3.24Å; G183-N187 PolarHBondContact O-N 3.45Å; G183-A189 VanDerWaalsContact CA-CA 3.48Å |
| 184 | R | 81 | Confident | 87.6 | Confident | 118 Ų | 118 | 45.5 Ų | 45.5 | 45% | 0.445 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 178.9 | -55.8 | -172.4 | -163.4 | 128.5 | -0.3 | 112.5 | C180 A181 E236 | C180-R184 PolarHBondContact O-N 3.48Å; A181-R184 PolarHBondContact O-N 3.07Å; R184-E236 IonicContact CZ-OE2 3.04Å; R184-E236 IonicContact NE-OE2 2.69Å; R184-E236 IonicContact NH2-OE2 3.49Å; R184-E236 PolarHBondContact NH2-OE2 3.11Å |
| 185 | L | 82.4 | Confident | 87.7 | Confident | 88 Ų | 88 | 42.1 Ų | 42.1 | 46% | 0.461 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -76.8 | -31.1 | -172.9 | -67.8 | 171.2 | 0 | 0 | 0 | 114.4 | A181 | A181-L185 WeakPolarHBondContact O-CB 3.49Å; A181-L185 WeakPolarHBondContact O-CG 3.16Å; A181-L185 PolarHBondContact O-N 3.37Å |
| 186 | Y | 85.1 | Confident | 88 | Confident | 41 Ų | 41 | 42.3 Ų | 42.3 | 16% | 0.161 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -136.1 | 7.6 | -170.1 | -44.5 | -62.1 | 0 | 0 | 0 | 115.2 | M182 F188 K217 W218 D221 | M182-Y186 HydrophobicContact CB-CD2 4.2Å; M182-Y186 HydrophobicContact CE-CD2 4.41Å; M182-Y186 HydrophobicContact CE-CE2 4.42Å; M182-Y186 HydrophobicContact CG-CD2 4.37Å; M182-Y186 HydrophobicContact CG-CE2 4.33Å; M182-Y186 PolarHBondContact O-N 3.19Å; Y186-F188 HydrophobicContact CD2-CE1 4.24Å; Y186-F188 HydrophobicContact CD2-CZ 4.02Å; Y186-F188 HydrophobicContact CG-CE1 4.02Å; Y186-F188 HydrophobicContact CG-CZ 4.25Å; Y186-F188 VanDerWaalsContact O-CD1 3.28Å; Y186-F188 WeakPolarHBondContact O-CD1 3.39Å; Y186-F188 PolarHBondContact O-N 3.09Å; Y186-K217 HydrophobicContact CE1-CD 3.85Å; Y186-K217 HydrophobicContact CE1-CG 4.47Å; Y186-W218 HydrophobicContact CE2-CB 3.95Å; Y186-W218 HydrophobicContact CE2-CG 4.49Å; Y186-W218 WeakPolarHBondContact OH-CA 3.42Å; Y186-D221 WeakPolarHBondContact OH-CB 3.48Å; Y186-D221 PolarHBondContact OH-OD2 2.87Å |
| 187 | N | 80.8 | Confident | 88.3 | Confident | 84 Ų | 84 | 47.7 Ų | 47.7 | 45% | 0.449 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 56.6 | 34.6 | -176.8 | -59.6 | -28.3 | 0 | 0 | 0 | 113.7 | G183 P336 | G183-N187 VanDerWaalsContact O-CA 3.29Å; G183-N187 WeakPolarHBondContact O-CA 3.24Å; G183-N187 PolarHBondContact O-N 3.45Å; N187-P336 WeakPolarHBondContact OD1-CG 3.46Å |
| 188 | F | 79.9 | Confident | 88.6 | Confident | 45 Ų | 45 | 44.5 Ų | 44.5 | 20% | 0.197 | 23% | 0.231 | C | C | . | . | trans | -143.1 | 89.1 | 165.6 | 62.4 | -93.7 | 0 | 0 | 0 | 112.7 | M182 Y186 F190 R214 | M182-F188 HydrophobicContact CE-CE2 3.57Å; M182-F188 HydrophobicContact CE-CZ 4.01Å; Y186-F188 HydrophobicContact CD2-CE1 4.24Å; Y186-F188 HydrophobicContact CD2-CZ 4.02Å; Y186-F188 HydrophobicContact CG-CE1 4.02Å; Y186-F188 HydrophobicContact CG-CZ 4.25Å; Y186-F188 VanDerWaalsContact O-CD1 3.28Å; Y186-F188 WeakPolarHBondContact O-CD1 3.39Å; Y186-F188 PolarHBondContact O-N 3.09Å; F188-F190 HydrophobicContact CD2-CD2 4.43Å; F188-F190 AromaticContact CD2-CE2 3.81Å; F188-F190 HydrophobicContact CD2-CE2 3.81Å; F188-F190 AromaticContact CD2-CZ 3.84Å; F188-F190 HydrophobicContact CD2-CZ 3.84Å; F188-F190 HydrophobicContact CE2-CD2 4.46Å; F188-F190 AromaticContact CE2-CE2 3.62Å; F188-F190 HydrophobicContact CE2-CE2 3.62Å; F188-F190 AromaticContact CE2-CZ 3.89Å; F188-F190 HydrophobicContact CE2-CZ 3.89Å; F188-F190 PolarHBondContact O-N 2.92Å; F188-R214 VanDerWaalsContact CD2-NH1 3.28Å; F188-R214 HydrophobicContact CE2-CB 3.78Å; F188-R214 HydrophobicContact CE2-CG 3.92Å; F188-R214 VanDerWaalsContact CG-NH1 3.26Å; F188-R214 HydrophobicContact CZ-CB 3.78Å; F188-R214 HydrophobicContact CZ-CG 3.75Å | ||
| 189 | A | 83.9 | Confident | 88.9 | Confident | 34 Ų | 34 | 45.4 Ų | 45.4 | 28% | 0.281 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -72.3 | 121.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G179 G183 R339 | G179-A189 CarbonylContact O-C 3.57Å; G179-A189 WeakPolarHBondContact O-CA 3.13Å; G179-A189 WeakPolarHBondContact O-CB 3.42Å; G183-A189 VanDerWaalsContact CA-CA 3.48Å; A189-R339 PolarHBondContact O-NH1 3.35Å; A189-R339 PolarHBondContact O-NH2 3.34Å |
| 190 | F | 88.8 | Confident | 89.2 | Confident | 22 Ų | 22 | 47.7 Ų | 47.7 | 10% | 0.096 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 153.9 | 172.1 | -73.3 | -58.9 | 0 | 0 | 0 | 112 | G179 M182 F188 T194 I195 L211 R214 L215 R339 | G179-F190 CarbonylContact C-O 3.56Å; G179-F190 WeakPolarHBondContact CA-O 3.36Å; G179-F190 PolarHBondContact O-N 3.05Å; M182-F190 HydrophobicContact CE-CD2 4.13Å; M182-F190 HydrophobicContact CE-CE2 3.79Å; M182-F190 HydrophobicContact SD-CD2 3.62Å; M182-F190 HydrophobicContact SD-CE2 3.92Å; F188-F190 HydrophobicContact CD2-CD2 4.43Å; F188-F190 AromaticContact CD2-CE2 3.81Å; F188-F190 HydrophobicContact CD2-CE2 3.81Å; F188-F190 AromaticContact CD2-CZ 3.84Å; F188-F190 HydrophobicContact CD2-CZ 3.84Å; F188-F190 HydrophobicContact CE2-CD2 4.46Å; F188-F190 AromaticContact CE2-CE2 3.62Å; F188-F190 HydrophobicContact CE2-CE2 3.62Å; F188-F190 AromaticContact CE2-CZ 3.89Å; F188-F190 HydrophobicContact CE2-CZ 3.89Å; F188-F190 PolarHBondContact O-N 2.92Å; F190-T194 HydrophobicContact CD1-CG2 3.75Å; F190-T194 HydrophobicContact CE1-CG2 4.28Å; F190-T194 HydrophobicContact CG-CG2 4.27Å; F190-I195 HydrophobicContact CB-CD1 3.88Å; F190-I195 HydrophobicContact CB-CG1 4.27Å; F190-I195 HydrophobicContact CD2-CD1 4.09Å; F190-I195 HydrophobicContact CG-CD1 4.26Å; F190-L211 HydrophobicContact CD1-CD2 4.39Å; F190-L211 HydrophobicContact CE1-CD2 3.44Å; F190-L211 VanDerWaalsContact CE1-CD2 3.44Å; F190-L211 HydrophobicContact CE2-CD2 4.17Å; F190-L211 HydrophobicContact CZ-CD2 3.31Å; F190-R214 HydrophobicContact CE2-CB 4.45Å; F190-L215 HydrophobicContact CD2-CD2 4.38Å; F190-L215 HydrophobicContact CE2-CD2 4.35Å; F190-R339 VanDerWaalsContact CD1-NH2 3.29Å |
| 191 | S | 89.5 | Confident | 89.5 | Confident | 54 Ų | 54 | 47.5 Ų | 47.5 | 38% | 0.378 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -81.9 | 151.8 | 167.7 | 67.8 | 0 | 0 | 0 | 0 | 110 | T193 T194 I195 | S191-T193 PolarHBondContact O-N 3.26Å; S191-T193 VanDerWaalsContact O-N 3.11Å; S191-T194 WeakPolarHBondContact O-CA 3.28Å; S191-T194 WeakPolarHBondContact O-CB 3.44Å; S191-T194 PolarHBondContact O-N 2.68Å; S191-T194 PolarHBondContact OG-N 3.35Å; S191-T194 PolarHBondContact OG-OG1 3.42Å; S191-T194 VanDerWaalsContact OG-OG1 3.13Å; S191-I195 PolarHBondContact O-N 3Å |
| 192 | Q | 91.7 | Very high | 89.8 | Confident | 88 Ų | 88 | 52.9 Ų | 52.9 | 41% | 0.411 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -46 | -42 | 170.3 | 172.5 | -80.2 | -20.6 | 0 | 0 | 111.7 | Q175 T194 I195 S196 | Q175-Q192 HydrophobicContact CB-CB 4.48Å; Q175-Q192 HydrophobicContact CB-CG 3.83Å; Q192-T194 VanDerWaalsContact C-N 3.31Å; Q192-T194 PolarHBondContact O-N 3.17Å; Q192-I195 PolarHBondContact O-N 3.05Å; Q192-S196 WeakPolarHBondContact O-CB 3.42Å; Q192-S196 PolarHBondContact O-N 2.87Å |
| 193 | T | 93.5 | Very high | 90 | Very high | 71 Ų | 71 | 54.6 Ų | 54.6 | 44% | 0.436 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.1 | -29.7 | -179.4 | -44.3 | 0 | 0 | 0 | 0 | 112.9 | S191 R197 | S191-T193 PolarHBondContact O-N 3.26Å; S191-T193 VanDerWaalsContact O-N 3.11Å; T193-R197 WeakPolarHBondContact O-CB 3.43Å; T193-R197 VanDerWaalsContact O-CG 3.3Å; T193-R197 WeakPolarHBondContact O-CG 3.4Å; T193-R197 PolarHBondContact O-N 2.81Å; T193-R197 VanDerWaalsContact O-N 3.07Å |
| 194 | T | 94.6 | Very high | 90.2 | Very high | 37 Ų | 37 | 58.3 Ų | 58.3 | 23% | 0.227 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.5 | -47 | 173 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | F190 S191 Q192 R197 F198 L211 | F190-T194 HydrophobicContact CD1-CG2 3.75Å; F190-T194 HydrophobicContact CE1-CG2 4.28Å; F190-T194 HydrophobicContact CG-CG2 4.27Å; S191-T194 WeakPolarHBondContact O-CA 3.28Å; S191-T194 WeakPolarHBondContact O-CB 3.44Å; S191-T194 PolarHBondContact O-N 2.68Å; S191-T194 PolarHBondContact OG-N 3.35Å; S191-T194 PolarHBondContact OG-OG1 3.42Å; S191-T194 VanDerWaalsContact OG-OG1 3.13Å; Q192-T194 VanDerWaalsContact C-N 3.31Å; Q192-T194 PolarHBondContact O-N 3.17Å; T194-R197 PolarHBondContact O-N 3.25Å; T194-F198 PolarHBondContact O-N 3.14Å; T194-L211 HydrophobicContact CG2-CD1 4.01Å; T194-L211 HydrophobicContact CG2-CD2 4.39Å |
| 195 | I | 94.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.8 | -46.9 | 177.7 | -55.1 | -56.6 | 0 | 0 | 0 | 110.3 | F161 Q175 V178 F190 S191 Q192 R197 F198 E199 L215 | F161-I195 HydrophobicContact CE1-CG2 3.95Å; F161-I195 HydrophobicContact CZ-CG2 4.25Å; Q175-I195 HydrophobicContact CB-CB 4.21Å; Q175-I195 HydrophobicContact CB-CG2 4.13Å; Q175-I195 HydrophobicContact CG-CB 4.48Å; Q175-I195 HydrophobicContact CG-CG2 4.02Å; V178-I195 HydrophobicContact CG1-CD1 4.33Å; F190-I195 HydrophobicContact CB-CD1 3.88Å; F190-I195 HydrophobicContact CB-CG1 4.27Å; F190-I195 HydrophobicContact CD2-CD1 4.09Å; F190-I195 HydrophobicContact CG-CD1 4.26Å; S191-I195 PolarHBondContact O-N 3Å; Q192-I195 PolarHBondContact O-N 3.05Å; I195-R197 PolarHBondContact O-N 2.77Å; I195-F198 WeakPolarHBondContact O-CB 3.22Å; I195-F198 PolarHBondContact O-N 3.11Å; I195-F198 VanDerWaalsContact O-N 3.11Å; I195-E199 HydrophobicContact CG2-CG 4.4Å; I195-E199 WeakPolarHBondContact O-CG 3.47Å; I195-E199 PolarHBondContact O-N 3.22Å; I195-L215 HydrophobicContact CD1-CD2 3.74Å |
| 196 | S | 95.7 | Very high | 91.1 | Very high | 41 Ų | 41 | 60 Ų | 60 | 29% | 0.287 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.1 | -45.7 | 177.4 | -175.3 | 0 | 0 | 0 | 0 | 113 | Q192 F198 E199 A200 | Q192-S196 WeakPolarHBondContact O-CB 3.42Å; Q192-S196 PolarHBondContact O-N 2.87Å; S196-F198 VanDerWaalsContact C-N 3.34Å; S196-F198 PolarHBondContact O-N 3.23Å; S196-E199 PolarHBondContact O-N 2.94Å; S196-A200 WeakPolarHBondContact O-CB 3.44Å; S196-A200 PolarHBondContact O-N 3.02Å |
| 197 | R | 96.4 | Very high | 91.5 | Very high | 137 Ų | 137 | 61 Ų | 61 | 52% | 0.517 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68 | -31.8 | 176.4 | -73.2 | -178.4 | -179.4 | -169.1 | -1.8 | 113.1 | T193 T194 I195 L201 N202 L203 | T193-R197 WeakPolarHBondContact O-CB 3.43Å; T193-R197 VanDerWaalsContact O-CG 3.3Å; T193-R197 WeakPolarHBondContact O-CG 3.4Å; T193-R197 PolarHBondContact O-N 2.81Å; T193-R197 VanDerWaalsContact O-N 3.07Å; T194-R197 PolarHBondContact O-N 3.25Å; I195-R197 PolarHBondContact O-N 2.77Å; R197-L201 PolarHBondContact O-N 3.35Å; R197-N202 HydrophobicContact CB-CB 4.43Å; R197-N202 HydrophobicContact CG-CB 4.48Å; R197-N202 PolarHBondContact O-N 2.87Å; R197-L203 HydrophobicContact CB-CD1 4.33Å; R197-L203 HydrophobicContact CB-CD2 3.65Å; R197-L203 HydrophobicContact CB-CG 3.79Å; R197-L203 HydrophobicContact CG-CD2 4.39Å |
| 198 | F | 96.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67 | -49.3 | 173.9 | -175.3 | -89.7 | 0 | 0 | 0 | 111.4 | F157 A158 F161 T194 I195 S196 A200 L201 L203 M208 L211 K212 L215 | F157-F198 AromaticContact CD1-CE1 3.81Å; F157-F198 HydrophobicContact CD1-CE1 3.81Å; F157-F198 AromaticContact CD1-CZ 3.62Å; F157-F198 HydrophobicContact CD1-CZ 3.62Å; F157-F198 AromaticContact CE1-CE1 3.66Å; F157-F198 HydrophobicContact CE1-CE1 3.66Å; F157-F198 AromaticContact CE1-CZ 3.59Å; F157-F198 HydrophobicContact CE1-CZ 3.59Å; A158-F198 HydrophobicContact CB-CE1 4.14Å; F161-F198 HydrophobicContact CD1-CD1 4.44Å; T194-F198 PolarHBondContact O-N 3.14Å; I195-F198 WeakPolarHBondContact O-CB 3.22Å; I195-F198 PolarHBondContact O-N 3.11Å; I195-F198 VanDerWaalsContact O-N 3.11Å; S196-F198 VanDerWaalsContact C-N 3.34Å; S196-F198 PolarHBondContact O-N 3.23Å; F198-A200 PolarHBondContact O-N 3.03Å; F198-L201 PolarHBondContact O-N 3.08Å; F198-L203 HydrophobicContact CB-CD1 4.3Å; F198-M208 HydrophobicContact CB-SD 4.46Å; F198-M208 HydrophobicContact CD1-CE 4.43Å; F198-M208 HydrophobicContact CD2-CE 3.47Å; F198-M208 VanDerWaalsContact CD2-CE 3.47Å; F198-M208 HydrophobicContact CD2-SD 3.47Å; F198-M208 WeakPolarHBondContact CD2-SD 3.43Å; F198-M208 HydrophobicContact CE1-CE 4.41Å; F198-M208 HydrophobicContact CE2-CE 3.45Å; F198-M208 VanDerWaalsContact CE2-CE 3.45Å; F198-M208 HydrophobicContact CE2-SD 3.92Å; F198-M208 HydrophobicContact CG-CE 3.99Å; F198-M208 HydrophobicContact CG-SD 4.16Å; F198-M208 HydrophobicContact CZ-CE 3.94Å; F198-L211 HydrophobicContact CD2-CB 3.69Å; F198-L211 HydrophobicContact CD2-CD1 3.92Å; F198-L211 HydrophobicContact CD2-CG 4.48Å; F198-L211 HydrophobicContact CE2-CB 3.72Å; F198-K212 HydrophobicContact CZ-CB 4.5Å; F198-L215 HydrophobicContact CB-CD1 4.36Å; F198-L215 HydrophobicContact CD1-CD1 3.4Å; F198-L215 VanDerWaalsContact CD1-CD1 3.4Å; F198-L215 HydrophobicContact CD2-CD1 3.72Å; F198-L215 HydrophobicContact CE1-CD1 3.46Å; F198-L215 VanDerWaalsContact CE1-CD1 3.46Å; F198-L215 HydrophobicContact CE2-CD1 3.77Å; F198-L215 HydrophobicContact CG-CD1 3.54Å; F198-L215 HydrophobicContact CZ-CD1 3.64Å |
| 199 | E | 95.9 | Very high | 92.8 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 9% | 0.093 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -29 | 177.4 | -70.2 | -172.4 | 151.6 | 0 | 0 | 113.9 | F161 K162 R165 Q175 I195 S196 | F161-E199 HydrophobicContact CD1-CG 4.09Å; F161-E199 HydrophobicContact CE1-CG 4.08Å; K162-E199 HydrophobicContact CB-CG 4.09Å; K162-E199 HydrophobicContact CD-CB 4.3Å; K162-E199 HydrophobicContact CG-CG 4.34Å; R165-E199 IonicContact CZ-OE1 2.84Å; R165-E199 IonicContact CZ-OE2 2.64Å; R165-E199 IonicContact NE-OE1 3.4Å; R165-E199 PolarHBondContact NE-OE1 2.8Å; R165-E199 IonicContact NE-OE2 3.31Å; R165-E199 VanDerWaalsContact NH2-CD 3.25Å; R165-E199 IonicContact NH2-OE1 3.58Å; R165-E199 PolarHBondContact NH2-OE1 3.42Å; R165-E199 IonicContact NH2-OE2 2.76Å; R165-E199 PolarHBondContact NH2-OE2 3.43Å; Q175-E199 PolarHBondContact NE2-OE2 2.82Å; I195-E199 HydrophobicContact CG2-CG 4.4Å; I195-E199 WeakPolarHBondContact O-CG 3.47Å; I195-E199 PolarHBondContact O-N 3.22Å; S196-E199 PolarHBondContact O-N 2.94Å |
| 200 | A | 95.1 | Very high | 93.2 | Very high | 49 Ų | 49 | 61.3 Ų | 61.3 | 41% | 0.405 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 8.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S196 F198 N202 | S196-A200 WeakPolarHBondContact O-CB 3.44Å; S196-A200 PolarHBondContact O-N 3.02Å; F198-A200 PolarHBondContact O-N 3.03Å; A200-N202 HydrophobicContact CB-CB 4.33Å; A200-N202 WeakPolarHBondContact CB-ND2 3.34Å; A200-N202 PolarHBondContact O-N 3.47Å; A200-N202 PolarHBondContact O-ND2 3.11Å |
| 201 | L | 93.6 | Very high | 93.4 | Very high | 60 Ų | 60 | 60.8 Ų | 60.8 | 31% | 0.314 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 16.9 | -176 | -56.1 | 173.4 | 0 | 0 | 0 | 114.5 | E155 A158 R197 F198 L203 M208 | E155-L201 HydrophobicContact CB-CD1 4.24Å; E155-L201 HydrophobicContact CG-CD1 3.74Å; A158-L201 HydrophobicContact CB-CD2 3.58Å; R197-L201 PolarHBondContact O-N 3.35Å; F198-L201 PolarHBondContact O-N 3.08Å; L201-L203 VanDerWaalsContact C-N 3.26Å; L201-L203 PolarHBondContact O-N 3.25Å; L201-L203 VanDerWaalsContact O-N 3.09Å; L201-M208 HydrophobicContact CD2-CE 3.6Å |
| 202 | N | 93.7 | Very high | 93.6 | Very high | 116 Ų | 116 | 59.3 Ų | 59.3 | 62% | 0.62 | 31% | 0.307 | S | S | * | . | trans | -90.2 | 45.7 | -172.3 | -79.7 | -35.7 | 0 | 0 | 0 | 112.7 | R197 A200 | R197-N202 HydrophobicContact CB-CB 4.43Å; R197-N202 HydrophobicContact CG-CB 4.48Å; R197-N202 PolarHBondContact O-N 2.87Å; A200-N202 HydrophobicContact CB-CB 4.33Å; A200-N202 WeakPolarHBondContact CB-ND2 3.34Å; A200-N202 PolarHBondContact O-N 3.47Å; A200-N202 PolarHBondContact O-ND2 3.11Å | ||
| 203 | L | 91.1 | Very high | 93.7 | Very high | 36 Ų | 36 | 58.8 Ų | 58.8 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -135.3 | 159.7 | 172.6 | -60.6 | 173.9 | 0 | 0 | 0 | 109 | R197 F198 L201 N207 M208 L211 | R197-L203 HydrophobicContact CB-CD1 4.33Å; R197-L203 HydrophobicContact CB-CD2 3.65Å; R197-L203 HydrophobicContact CB-CG 3.79Å; R197-L203 HydrophobicContact CG-CD2 4.39Å; F198-L203 HydrophobicContact CB-CD1 4.3Å; L201-L203 VanDerWaalsContact C-N 3.26Å; L201-L203 PolarHBondContact O-N 3.25Å; L201-L203 VanDerWaalsContact O-N 3.09Å; L203-N207 HydrophobicContact CB-CB 4.36Å; L203-M208 HydrophobicContact CB-CG 3.92Å; L203-M208 HydrophobicContact CB-SD 3.8Å; L203-M208 HydrophobicContact CD1-SD 3.88Å; L203-M208 HydrophobicContact CG-SD 4.18Å; L203-L211 HydrophobicContact CD1-CD1 3.39Å |
| 204 | S | 91.3 | Very high | 93.6 | Very high | 82 Ų | 82 | 60.7 Ų | 60.7 | 57% | 0.573 | 31% | 0.31 | S | S | * | . | trans | -62.5 | 145.5 | 171.5 | 59.8 | 0 | 0 | 0 | 0 | 110.7 | K206 N207 M208 | S204-K206 VanDerWaalsContact C-N 3.28Å; S204-K206 PolarHBondContact O-N 2.87Å; S204-N207 WeakPolarHBondContact O-CA 3.28Å; S204-N207 WeakPolarHBondContact O-CB 3.39Å; S204-N207 PolarHBondContact O-N 3.39Å; S204-M208 PolarHBondContact O-N 3.19Å | ||
| 205 | F | 91.3 | Very high | 93.6 | Very high | 81 Ų | 81 | 59 Ų | 59 | 36% | 0.355 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -47.6 | -49.1 | 178.5 | 178.2 | -103.4 | 0 | 0 | 0 | 112.4 | L141 V149 I151 L154 N207 M208 C209 | L141-F205 HydrophobicContact CD2-CE1 4.22Å; V149-F205 VanDerWaalsContact O-CZ 3.24Å; V149-F205 WeakPolarHBondContact O-CZ 3.19Å; I151-F205 HydrophobicContact CB-CE2 4.42Å; L154-F205 HydrophobicContact CD2-CD2 3.87Å; L154-F205 HydrophobicContact CD2-CE2 4.07Å; F205-N207 PolarHBondContact O-N 2.8Å; F205-N207 VanDerWaalsContact O-N 3.11Å; F205-M208 WeakPolarHBondContact O-CB 3.45Å; F205-M208 PolarHBondContact O-N 3.43Å; F205-C209 PolarHBondContact O-N 3.16Å; F205-C209 PolarHBondContact O-SG 3.31Å |
| 206 | K | 90.7 | Very high | 93.6 | Very high | 160 Ų | 160 | 62.7 Ų | 62.7 | 70% | 0.696 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -59.5 | -23.5 | 175.7 | -171 | 167.3 | -173 | 166.4 | 0 | 114.6 | S204 K210 | S204-K206 VanDerWaalsContact C-N 3.28Å; S204-K206 PolarHBondContact O-N 2.87Å; K206-K210 WeakPolarHBondContact O-CD 3.46Å; K206-K210 VanDerWaalsContact O-CG 3.28Å; K206-K210 WeakPolarHBondContact O-CG 3.5Å |
| 207 | N | 92.6 | Very high | 93.4 | Very high | 61 Ų | 61 | 65.9 Ų | 65.9 | 33% | 0.326 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -87.2 | -40 | 173.6 | -165.6 | 27.8 | 0 | 0 | 0 | 111.3 | L203 S204 F205 C209 K210 L211 | L203-N207 HydrophobicContact CB-CB 4.36Å; S204-N207 WeakPolarHBondContact O-CA 3.28Å; S204-N207 WeakPolarHBondContact O-CB 3.39Å; S204-N207 PolarHBondContact O-N 3.39Å; F205-N207 PolarHBondContact O-N 2.8Å; F205-N207 VanDerWaalsContact O-N 3.11Å; N207-C209 PolarHBondContact O-N 3.24Å; N207-K210 WeakPolarHBondContact O-CB 3.45Å; N207-K210 PolarHBondContact O-N 2.7Å; N207-K210 VanDerWaalsContact O-N 3.11Å; N207-L211 WeakPolarHBondContact O-CG 3.43Å; N207-L211 PolarHBondContact O-N 2.72Å; N207-L211 VanDerWaalsContact O-N 3.08Å |
| 208 | M | 94.4 | Very high | 93.2 | Very high | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.02 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.2 | -49.2 | 172.3 | -69 | -65.7 | -65 | 0 | 0 | 111.6 | L154 A158 F198 L201 L203 S204 F205 K210 L211 K212 | L154-M208 HydrophobicContact CD1-CB 4Å; L154-M208 HydrophobicContact CD1-CE 4.3Å; L154-M208 HydrophobicContact CD2-CB 3.29Å; L154-M208 HydrophobicContact CD2-CE 4.48Å; L154-M208 HydrophobicContact CD2-CG 4.1Å; L154-M208 HydrophobicContact CG-CB 3.97Å; L154-M208 HydrophobicContact CG-CE 4.12Å; A158-M208 HydrophobicContact CB-CE 4.5Å; F198-M208 HydrophobicContact CB-SD 4.46Å; F198-M208 HydrophobicContact CD1-CE 4.43Å; F198-M208 HydrophobicContact CD2-CE 3.47Å; F198-M208 VanDerWaalsContact CD2-CE 3.47Å; F198-M208 HydrophobicContact CD2-SD 3.47Å; F198-M208 WeakPolarHBondContact CD2-SD 3.43Å; F198-M208 HydrophobicContact CE1-CE 4.41Å; F198-M208 HydrophobicContact CE2-CE 3.45Å; F198-M208 VanDerWaalsContact CE2-CE 3.45Å; F198-M208 HydrophobicContact CE2-SD 3.92Å; F198-M208 HydrophobicContact CG-CE 3.99Å; F198-M208 HydrophobicContact CG-SD 4.16Å; F198-M208 HydrophobicContact CZ-CE 3.94Å; L201-M208 HydrophobicContact CD2-CE 3.6Å; L203-M208 HydrophobicContact CB-CG 3.92Å; L203-M208 HydrophobicContact CB-SD 3.8Å; L203-M208 HydrophobicContact CD1-SD 3.88Å; L203-M208 HydrophobicContact CG-SD 4.18Å; S204-M208 PolarHBondContact O-N 3.19Å; F205-M208 WeakPolarHBondContact O-CB 3.45Å; F205-M208 PolarHBondContact O-N 3.43Å; M208-K210 PolarHBondContact O-N 2.76Å; M208-L211 PolarHBondContact O-N 3.21Å; M208-K212 PolarHBondContact O-N 2.86Å |
| 209 | C | 93.7 | Very high | 93 | Very high | 35 Ų | 35 | 59.6 Ų | 59.6 | 24% | 0.236 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.8 | -28.6 | 176.2 | -57.3 | 0 | 0 | 0 | 0 | 113.4 | F205 N207 P213 | F205-C209 PolarHBondContact O-N 3.16Å; F205-C209 PolarHBondContact O-SG 3.31Å; N207-C209 PolarHBondContact O-N 3.24Å; C209-P213 WeakPolarHBondContact O-CD 3.28Å |
| 210 | K | 92.4 | Very high | 92.7 | Very high | 132 Ų | 132 | 61.6 Ų | 61.6 | 57% | 0.574 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -77.1 | -26.2 | 174.7 | -76 | 176.2 | 177.5 | -167.5 | 0 | 113.4 | K206 N207 M208 | K206-K210 WeakPolarHBondContact O-CD 3.46Å; K206-K210 VanDerWaalsContact O-CG 3.28Å; K206-K210 WeakPolarHBondContact O-CG 3.5Å; N207-K210 WeakPolarHBondContact O-CB 3.45Å; N207-K210 PolarHBondContact O-N 2.7Å; N207-K210 VanDerWaalsContact O-N 3.11Å; M208-K210 PolarHBondContact O-N 2.76Å |
| 211 | L | 93.3 | Very high | 92.4 | Very high | 10 Ų | 10 | 61.5 Ų | 61.5 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -88.7 | -37 | -179.7 | -68.5 | 175.7 | 0 | 0 | 0 | 112.1 | F190 T194 F198 L203 N207 M208 R214 L215 | F190-L211 HydrophobicContact CD1-CD2 4.39Å; F190-L211 HydrophobicContact CE1-CD2 3.44Å; F190-L211 VanDerWaalsContact CE1-CD2 3.44Å; F190-L211 HydrophobicContact CE2-CD2 4.17Å; F190-L211 HydrophobicContact CZ-CD2 3.31Å; T194-L211 HydrophobicContact CG2-CD1 4.01Å; T194-L211 HydrophobicContact CG2-CD2 4.39Å; F198-L211 HydrophobicContact CD2-CB 3.69Å; F198-L211 HydrophobicContact CD2-CD1 3.92Å; F198-L211 HydrophobicContact CD2-CG 4.48Å; F198-L211 HydrophobicContact CE2-CB 3.72Å; L203-L211 HydrophobicContact CD1-CD1 3.39Å; N207-L211 WeakPolarHBondContact O-CG 3.43Å; N207-L211 PolarHBondContact O-N 2.72Å; N207-L211 VanDerWaalsContact O-N 3.08Å; M208-L211 PolarHBondContact O-N 3.21Å; L211-R214 WeakPolarHBondContact O-CB 3.11Å; L211-R214 PolarHBondContact O-N 3.26Å; L211-R214 VanDerWaalsContact O-N 3.09Å; L211-L215 HydrophobicContact CB-CD1 4.18Å; L211-L215 WeakPolarHBondContact O-CG 3.28Å; L211-L215 PolarHBondContact O-N 3.37Å |
| 212 | K | 94.1 | Very high | 92.1 | Very high | 24 Ų | 24 | 58.6 Ų | 58.6 | 10% | 0.104 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -43 | -62 | 179 | 176.8 | 169.7 | 178.2 | 175.6 | 0 | 113.2 | V149 L154 F157 F198 M208 R214 L215 E216 | V149-K212 HydrophobicContact CG1-CD 4.19Å; L154-K212 HydrophobicContact CD1-CB 4.06Å; L154-K212 HydrophobicContact CD1-CD 4.04Å; F157-K212 HydrophobicContact CB-CD 4.21Å; F157-K212 HydrophobicContact CD1-CB 4.41Å; F157-K212 HydrophobicContact CD1-CD 4.28Å; F157-K212 HydrophobicContact CD1-CG 3.87Å; F157-K212 HydrophobicContact CD2-CG 4.35Å; F157-K212 HydrophobicContact CE1-CB 4.49Å; F157-K212 HydrophobicContact CE1-CG 4.1Å; F157-K212 HydrophobicContact CG-CD 4.06Å; F157-K212 HydrophobicContact CG-CG 4.01Å; F157-K212 HydrophobicContact CZ-CG 4.46Å; F198-K212 HydrophobicContact CZ-CB 4.5Å; M208-K212 PolarHBondContact O-N 2.86Å; K212-R214 PolarHBondContact O-N 2.86Å; K212-R214 VanDerWaalsContact O-N 3.1Å; K212-L215 PolarHBondContact O-N 2.94Å; K212-L215 VanDerWaalsContact O-N 3.1Å; K212-E216 WeakPolarHBondContact CE-OE2 3.32Å; K212-E216 WeakPolarHBondContact O-CB 3.36Å; K212-E216 PolarHBondContact O-N 3.45Å |
| 213 | P | 93 | Very high | 91.7 | Very high | 77 Ų | 77 | 55.4 Ų | 55.4 | 50% | 0.5 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.1 | -24.7 | -174.3 | 25.8 | -36 | 0 | 0 | 0 | 113.8 | C209 K217 | C209-P213 WeakPolarHBondContact O-CD 3.28Å; P213-K217 WeakPolarHBondContact O-CB 3.22Å; P213-K217 PolarHBondContact O-N 3.36Å |
| 214 | R | 92.2 | Very high | 91.4 | Very high | 111 Ų | 111 | 58.5 Ų | 58.5 | 42% | 0.419 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -74.8 | -45.6 | 176.1 | -66.1 | 174.4 | 177.1 | -114.2 | -0.2 | 111.2 | M182 F188 F190 L211 K212 E216 W218 | M182-R214 HydrophobicContact CE-CB 4.06Å; M182-R214 WeakPolarHBondContact CE-O 3.39Å; F188-R214 VanDerWaalsContact CD2-NH1 3.28Å; F188-R214 HydrophobicContact CE2-CB 3.78Å; F188-R214 HydrophobicContact CE2-CG 3.92Å; F188-R214 VanDerWaalsContact CG-NH1 3.26Å; F188-R214 HydrophobicContact CZ-CB 3.78Å; F188-R214 HydrophobicContact CZ-CG 3.75Å; F190-R214 HydrophobicContact CE2-CB 4.45Å; L211-R214 WeakPolarHBondContact O-CB 3.11Å; L211-R214 PolarHBondContact O-N 3.26Å; L211-R214 VanDerWaalsContact O-N 3.09Å; K212-R214 PolarHBondContact O-N 2.86Å; K212-R214 VanDerWaalsContact O-N 3.1Å; R214-E216 VanDerWaalsContact C-N 3.34Å; R214-W218 PolarHBondContact O-N 2.9Å |
| 215 | L | 94.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.2 | -33.4 | 178.9 | -65.7 | 171.3 | 0 | 0 | 0 | 111.5 | F157 F161 M182 F190 I195 F198 L211 K212 W218 L219 | F157-L215 HydrophobicContact CE1-CB 4.08Å; F157-L215 HydrophobicContact CZ-CB 4.09Å; F161-L215 HydrophobicContact CD2-CB 4.06Å; F161-L215 HydrophobicContact CE2-CB 3.87Å; F161-L215 HydrophobicContact CE2-CD2 3.85Å; F161-L215 HydrophobicContact CE2-CG 4.31Å; F161-L215 HydrophobicContact CZ-CD2 3.85Å; M182-L215 HydrophobicContact CE-CD2 4.07Å; M182-L215 HydrophobicContact SD-CD2 3.65Å; F190-L215 HydrophobicContact CD2-CD2 4.38Å; F190-L215 HydrophobicContact CE2-CD2 4.35Å; I195-L215 HydrophobicContact CD1-CD2 3.74Å; F198-L215 HydrophobicContact CB-CD1 4.36Å; F198-L215 HydrophobicContact CD1-CD1 3.4Å; F198-L215 VanDerWaalsContact CD1-CD1 3.4Å; F198-L215 HydrophobicContact CD2-CD1 3.72Å; F198-L215 HydrophobicContact CE1-CD1 3.46Å; F198-L215 VanDerWaalsContact CE1-CD1 3.46Å; F198-L215 HydrophobicContact CE2-CD1 3.77Å; F198-L215 HydrophobicContact CG-CD1 3.54Å; F198-L215 HydrophobicContact CZ-CD1 3.64Å; L211-L215 HydrophobicContact CB-CD1 4.18Å; L211-L215 WeakPolarHBondContact O-CG 3.28Å; L211-L215 PolarHBondContact O-N 3.37Å; K212-L215 PolarHBondContact O-N 2.94Å; K212-L215 VanDerWaalsContact O-N 3.1Å; L215-W218 PolarHBondContact O-N 3.48Å; L215-L219 WeakPolarHBondContact O-CB 3.41Å; L215-L219 PolarHBondContact O-N 3.04Å |
| 216 | E | 93.9 | Very high | 90.2 | Very high | 79 Ų | 79 | 56.1 Ų | 56.1 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.8 | -50.1 | 175.8 | -170.4 | 156.4 | -142 | 0 | 0 | 110.6 | F157 K212 R214 W218 L219 T220 | F157-E216 HydrophobicContact CE2-CB 3.58Å; F157-E216 HydrophobicContact CE2-CG 3.75Å; F157-E216 HydrophobicContact CZ-CB 3.7Å; F157-E216 HydrophobicContact CZ-CG 4.39Å; K212-E216 WeakPolarHBondContact CE-OE2 3.32Å; K212-E216 WeakPolarHBondContact O-CB 3.36Å; K212-E216 PolarHBondContact O-N 3.45Å; R214-E216 VanDerWaalsContact C-N 3.34Å; E216-W218 PolarHBondContact O-N 3.09Å; E216-L219 WeakPolarHBondContact O-CB 3.38Å; E216-L219 PolarHBondContact O-N 3.28Å; E216-T220 PolarHBondContact O-N 3.4Å; E216-T220 PolarHBondContact O-OG1 3.03Å |
| 217 | K | 92 | Very high | 89.7 | Confident | 108 Ų | 108 | 56 Ų | 56 | 47% | 0.47 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -55.3 | -48.8 | 171.8 | -170.2 | -172.5 | 177.7 | -166.5 | 0 | 112.1 | Y186 P213 L219 T220 D221 | Y186-K217 HydrophobicContact CE1-CD 3.85Å; Y186-K217 HydrophobicContact CE1-CG 4.47Å; P213-K217 WeakPolarHBondContact O-CB 3.22Å; P213-K217 PolarHBondContact O-N 3.36Å; K217-L219 PolarHBondContact O-N 3.18Å; K217-T220 PolarHBondContact O-N 2.89Å; K217-D221 VanDerWaalsContact CE-OD2 3.28Å; K217-D221 WeakPolarHBondContact CE-OD2 3.44Å; K217-D221 IonicContact NZ-OD2 3.48Å; K217-D221 PolarHBondContact O-N 2.8Å; K217-D221 VanDerWaalsContact O-OD1 3.07Å |
| 218 | W | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.8 | -37.5 | 176.8 | 177 | 77.7 | 0 | 0 | 0 | 113.1 | F161 L168 F173 V178 M182 Y186 R214 L215 E216 T222 | F161-W218 AromaticContact CE2-CE3 3.74Å; F161-W218 HydrophobicContact CE2-CE3 3.74Å; F161-W218 AromaticContact CE2-CZ3 3.77Å; F161-W218 HydrophobicContact CE2-CZ3 3.77Å; F161-W218 HydrophobicContact CZ-CE3 4.49Å; F161-W218 HydrophobicContact CZ-CZ3 4.3Å; L168-W218 HydrophobicContact CD1-CH2 4.27Å; F173-W218 HydrophobicContact CD1-CZ2 4.15Å; F173-W218 HydrophobicContact CD2-CH2 4.43Å; F173-W218 HydrophobicContact CE1-CZ2 4.21Å; F173-W218 HydrophobicContact CG-CH2 4.31Å; F173-W218 HydrophobicContact CG-CZ2 4.36Å; F173-W218 HydrophobicContact CZ-CZ2 4.47Å; V178-W218 HydrophobicContact CB-CH2 4.18Å; V178-W218 HydrophobicContact CB-CZ2 4.15Å; V178-W218 HydrophobicContact CG1-CD2 3.8Å; V178-W218 HydrophobicContact CG1-CE3 3.81Å; V178-W218 HydrophobicContact CG1-CH2 3.89Å; V178-W218 HydrophobicContact CG1-CZ2 3.88Å; V178-W218 HydrophobicContact CG1-CZ3 3.84Å; V178-W218 HydrophobicContact CG2-CH2 3.37Å; V178-W218 HydrophobicContact CG2-CZ2 3.67Å; V178-W218 HydrophobicContact CG2-CZ3 3.94Å; M182-W218 HydrophobicContact CE-CB 3.8Å; M182-W218 HydrophobicContact CE-CG 4.45Å; M182-W218 HydrophobicContact CG-CB 3.94Å; M182-W218 VanDerWaalsContact CG-CD1 3.48Å; M182-W218 HydrophobicContact CG-CD2 4.38Å; M182-W218 HydrophobicContact CG-CG 3.62Å; M182-W218 HydrophobicContact SD-CB 4.08Å; M182-W218 HydrophobicContact SD-CG 4.12Å; Y186-W218 HydrophobicContact CE2-CB 3.95Å; Y186-W218 HydrophobicContact CE2-CG 4.49Å; Y186-W218 WeakPolarHBondContact OH-CA 3.42Å; R214-W218 PolarHBondContact O-N 2.9Å; L215-W218 PolarHBondContact O-N 3.48Å; E216-W218 PolarHBondContact O-N 3.09Å; W218-T222 VanDerWaalsContact CE2-OG1 3.32Å; W218-T222 HydrophobicContact CZ2-CG2 4.32Å; W218-T222 PolarHBondContact NE1-OG1 3.2Å; W218-T222 VanDerWaalsContact O-CB 3.24Å; W218-T222 WeakPolarHBondContact O-CB 3.29Å; W218-T222 PolarHBondContact O-N 3.36Å; W218-T222 PolarHBondContact O-OG1 3.28Å |
| 219 | L | 91.9 | Very high | 87 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.5 | -46.4 | 178.3 | -154.8 | 64.1 | 0 | 0 | 0 | 111.2 | Y160 F161 T164 L215 E216 K217 T222 E223 | Y160-L219 HydrophobicContact CD1-CD2 3.75Å; Y160-L219 HydrophobicContact CE1-CD2 3.44Å; Y160-L219 VanDerWaalsContact CE1-CD2 3.44Å; F161-L219 HydrophobicContact CD2-CD1 4.21Å; F161-L219 HydrophobicContact CD2-CD2 4.44Å; T164-L219 HydrophobicContact CG2-CD1 3.53Å; T164-L219 HydrophobicContact CG2-CD2 4.38Å; T164-L219 HydrophobicContact CG2-CG 4.05Å; L215-L219 WeakPolarHBondContact O-CB 3.41Å; L215-L219 PolarHBondContact O-N 3.04Å; E216-L219 WeakPolarHBondContact O-CB 3.38Å; E216-L219 PolarHBondContact O-N 3.28Å; K217-L219 PolarHBondContact O-N 3.18Å; L219-T222 PolarHBondContact O-N 3.38Å; L219-E223 WeakPolarHBondContact O-CB 3.37Å; L219-E223 WeakPolarHBondContact O-CG 3.24Å; L219-E223 PolarHBondContact O-N 3.03Å |
| 220 | T | 91 | Very high | 85.3 | Confident | 63 Ų | 63 | 65.8 Ų | 65.8 | 39% | 0.387 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.2 | -55.4 | 175.3 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | E216 K217 T222 E223 E224 | E216-T220 PolarHBondContact O-N 3.4Å; E216-T220 PolarHBondContact O-OG1 3.03Å; K217-T220 PolarHBondContact O-N 2.89Å; T220-T222 PolarHBondContact O-N 3.33Å; T220-E223 PolarHBondContact O-N 3.45Å; T220-E223 VanDerWaalsContact O-N 3.09Å; T220-E224 HydrophobicContact CG2-CG 4.49Å; T220-E224 WeakPolarHBondContact CG2-OE1 3.46Å; T220-E224 WeakPolarHBondContact O-CG 3.17Å; T220-E224 PolarHBondContact O-N 3.04Å |
| 221 | D | 88.4 | Confident | 83.4 | Confident | 46 Ų | 46 | 62.2 Ų | 62.2 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.8 | -33.4 | -179.3 | -64.7 | 25.3 | 0 | 0 | 0 | 111.3 | Y186 K217 T225 | Y186-D221 WeakPolarHBondContact OH-CB 3.48Å; Y186-D221 PolarHBondContact OH-OD2 2.87Å; K217-D221 VanDerWaalsContact CE-OD2 3.28Å; K217-D221 WeakPolarHBondContact CE-OD2 3.44Å; K217-D221 IonicContact NZ-OD2 3.48Å; K217-D221 PolarHBondContact O-N 2.8Å; K217-D221 VanDerWaalsContact O-OD1 3.07Å; D221-T225 WeakPolarHBondContact O-CB 3.33Å; D221-T225 VanDerWaalsContact O-CG2 3.28Å; D221-T225 WeakPolarHBondContact O-CG2 3.36Å; D221-T225 PolarHBondContact O-N 3.34Å; D221-T225 VanDerWaalsContact O-N 3.07Å; D221-T225 PolarHBondContact O-OG1 3.39Å |
| 222 | T | 86.5 | Confident | 81.4 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -76 | -37.4 | 175.7 | -51.9 | 0 | 0 | 0 | 0 | 112.5 | L168 F173 W218 L219 T220 T225 L226 | L168-T222 HydrophobicContact CD1-CG2 3.87Å; F173-T222 HydrophobicContact CE2-CG2 3.91Å; F173-T222 HydrophobicContact CZ-CG2 3.75Å; W218-T222 VanDerWaalsContact CE2-OG1 3.32Å; W218-T222 HydrophobicContact CZ2-CG2 4.32Å; W218-T222 PolarHBondContact NE1-OG1 3.2Å; W218-T222 VanDerWaalsContact O-CB 3.24Å; W218-T222 WeakPolarHBondContact O-CB 3.29Å; W218-T222 PolarHBondContact O-N 3.36Å; W218-T222 PolarHBondContact O-OG1 3.28Å; L219-T222 PolarHBondContact O-N 3.38Å; T220-T222 PolarHBondContact O-N 3.33Å; T222-T225 WeakPolarHBondContact CA-OG1 3.43Å; T222-T225 PolarHBondContact O-OG1 3.48Å; T222-L226 HydrophobicContact CG2-CD1 4.27Å; T222-L226 WeakPolarHBondContact O-CB 3.18Å; T222-L226 WeakPolarHBondContact O-CD1 3.28Å; T222-L226 VanDerWaalsContact O-CG 3.27Å; T222-L226 WeakPolarHBondContact O-CG 3.37Å; T222-L226 PolarHBondContact O-N 2.8Å; T222-L226 VanDerWaalsContact O-N 3.15Å |
| 223 | E | 86 | Confident | 79.5 | Confident | 49 Ų | 49 | 67.3 Ų | 67.3 | 23% | 0.229 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.8 | -36.8 | 175.1 | -76.4 | -175 | -177.7 | 0 | 0 | 111.9 | Y160 T164 L168 L219 T220 K227 | Y160-E223 PolarHBondContact OH-OE1 2.88Å; T164-E223 HydrophobicContact CG2-CG 4.46Å; T164-E223 WeakPolarHBondContact CG2-OE1 3.47Å; L168-E223 HydrophobicContact CD2-CG 4.07Å; L219-E223 WeakPolarHBondContact O-CB 3.37Å; L219-E223 WeakPolarHBondContact O-CG 3.24Å; L219-E223 PolarHBondContact O-N 3.03Å; T220-E223 PolarHBondContact O-N 3.45Å; T220-E223 VanDerWaalsContact O-N 3.09Å; E223-K227 VanDerWaalsContact O-CG 3.29Å; E223-K227 WeakPolarHBondContact O-CG 3.21Å; E223-K227 PolarHBondContact O-N 3.13Å; E223-K227 VanDerWaalsContact O-N 3.11Å |
| 224 | E | 84.5 | Confident | 77.2 | Confident | 101 Ų | 101 | 70 Ų | 70 | 47% | 0.472 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.6 | -46.7 | 174.3 | -72.6 | 179.8 | -173.7 | 0 | 0 | 112.3 | T220 L226 K227 N228 | T220-E224 HydrophobicContact CG2-CG 4.49Å; T220-E224 WeakPolarHBondContact CG2-OE1 3.46Å; T220-E224 WeakPolarHBondContact O-CG 3.17Å; T220-E224 PolarHBondContact O-N 3.04Å; E224-L226 VanDerWaalsContact C-N 3.26Å; E224-L226 PolarHBondContact O-N 2.62Å; E224-K227 PolarHBondContact O-N 3.07Å; E224-K227 VanDerWaalsContact O-N 3.14Å; E224-N228 WeakPolarHBondContact O-CB 3.2Å; E224-N228 VanDerWaalsContact O-CG 3.25Å; E224-N228 PolarHBondContact O-N 2.9Å; E224-N228 PolarHBondContact O-ND2 2.88Å |
| 225 | T | 80.5 | Confident | 74.5 | Confident | 47 Ų | 47 | 69 Ų | 69 | 29% | 0.288 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.7 | -27.8 | 178.4 | 48.9 | 0 | 0 | 0 | 0 | 113.2 | D221 T222 G229 T230 F231 | D221-T225 WeakPolarHBondContact O-CB 3.33Å; D221-T225 VanDerWaalsContact O-CG2 3.28Å; D221-T225 WeakPolarHBondContact O-CG2 3.36Å; D221-T225 PolarHBondContact O-N 3.34Å; D221-T225 VanDerWaalsContact O-N 3.07Å; D221-T225 PolarHBondContact O-OG1 3.39Å; T222-T225 WeakPolarHBondContact CA-OG1 3.43Å; T222-T225 PolarHBondContact O-OG1 3.48Å; T225-G229 PolarHBondContact O-N 3.33Å; T225-G229 VanDerWaalsContact O-N 3.13Å; T225-T230 PolarHBondContact O-N 2.94Å; T225-F231 HydrophobicContact CG2-CD2 4.26Å; T225-F231 WeakPolarHBondContact OG1-CD2 3.49Å |
| 226 | L | 77.6 | Confident | 72.2 | Confident | 65 Ų | 65 | 73.5 Ų | 73.5 | 34% | 0.34 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -74.2 | -36.6 | 170.6 | -72.8 | 168.7 | 0 | 0 | 0 | 113.5 | L168 T222 E224 N228 G229 F231 | L168-L226 HydrophobicContact CB-CD1 3.88Å; L168-L226 HydrophobicContact CD2-CD1 3.36Å; L168-L226 HydrophobicContact CG-CD1 4.09Å; T222-L226 HydrophobicContact CG2-CD1 4.27Å; T222-L226 WeakPolarHBondContact O-CB 3.18Å; T222-L226 WeakPolarHBondContact O-CD1 3.28Å; T222-L226 VanDerWaalsContact O-CG 3.27Å; T222-L226 WeakPolarHBondContact O-CG 3.37Å; T222-L226 PolarHBondContact O-N 2.8Å; T222-L226 VanDerWaalsContact O-N 3.15Å; E224-L226 VanDerWaalsContact C-N 3.26Å; E224-L226 PolarHBondContact O-N 2.62Å; L226-N228 VanDerWaalsContact C-N 3.3Å; L226-G229 PolarHBondContact O-N 3.11Å; L226-F231 HydrophobicContact CD2-CB 4.38Å |
| 227 | K | 79 | Confident | 69.6 | Low | 157 Ų | 157 | 78 Ų | 78 | 68% | 0.683 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.7 | -38.4 | 171.2 | -71.7 | 163.8 | -170.9 | 164.8 | 0 | 111.4 | E223 E224 G229 | E223-K227 VanDerWaalsContact O-CG 3.29Å; E223-K227 WeakPolarHBondContact O-CG 3.21Å; E223-K227 PolarHBondContact O-N 3.13Å; E223-K227 VanDerWaalsContact O-N 3.11Å; E224-K227 PolarHBondContact O-N 3.07Å; E224-K227 VanDerWaalsContact O-N 3.14Å; K227-G229 VanDerWaalsContact C-N 3.29Å; K227-G229 PolarHBondContact O-N 3.27Å |
| 228 | N | 70.5 | Confident | 66.9 | Low | 120 Ų | 120 | 80.4 Ų | 80.4 | 64% | 0.642 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -1.3 | -178.9 | -61 | -11.8 | 0 | 0 | 0 | 113.3 | E224 L226 T230 | E224-N228 WeakPolarHBondContact O-CB 3.2Å; E224-N228 VanDerWaalsContact O-CG 3.25Å; E224-N228 PolarHBondContact O-N 2.9Å; E224-N228 PolarHBondContact O-ND2 2.88Å; L226-N228 VanDerWaalsContact C-N 3.3Å; N228-T230 VanDerWaalsContact C-N 3.28Å; N228-T230 PolarHBondContact O-N 3.24Å; N228-T230 PolarHBondContact O-OG1 3.38Å |
| 229 | G | 61.3 | Low | 64.4 | Low | 68 Ų | 68 | 82.7 Ų | 82.7 | 70% | 0.701 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 10.2 | 170 | 0 | 0 | 0 | 0 | 0 | 116.5 | T225 L226 K227 | T225-G229 PolarHBondContact O-N 3.33Å; T225-G229 VanDerWaalsContact O-N 3.13Å; L226-G229 PolarHBondContact O-N 3.11Å; K227-G229 VanDerWaalsContact C-N 3.29Å; K227-G229 PolarHBondContact O-N 3.27Å |
| 230 | T | 56.9 | Low | 62 | Low | 118 Ų | 118 | 88.7 Ų | 88.7 | 72% | 0.724 | 47% | 0.472 | S | S | * | . | trans | -106.8 | 10.2 | -168.3 | -16.4 | 0 | 0 | 0 | 0 | 114.7 | T225 N228 D232 | T225-T230 PolarHBondContact O-N 2.94Å; N228-T230 VanDerWaalsContact C-N 3.28Å; N228-T230 PolarHBondContact O-N 3.24Å; N228-T230 PolarHBondContact O-OG1 3.38Å; T230-D232 PolarHBondContact O-N 3.47Å | ||
| 231 | F | 52.7 | Low | 59.7 | Low | 57 Ų | 57 | 92.6 Ų | 92.6 | 25% | 0.25 | 49% | 0.486 | C | S | . | . | trans | -92.8 | 96.8 | -170.8 | -161.9 | -96.8 | 0 | 0 | 0 | 113.5 | F173 T225 L226 C233 | F173-F231 AromaticContact CE1-CE1 3.75Å; F173-F231 HydrophobicContact CE1-CE1 3.75Å; F173-F231 HydrophobicContact CE1-CZ 4.19Å; F173-F231 HydrophobicContact CZ-CD1 4.22Å; F173-F231 AromaticContact CZ-CE1 3.44Å; F173-F231 HydrophobicContact CZ-CE1 3.44Å; F173-F231 VanDerWaalsContact CZ-CE1 3.44Å; F173-F231 HydrophobicContact CZ-CZ 4.08Å; T225-F231 HydrophobicContact CG2-CD2 4.26Å; T225-F231 WeakPolarHBondContact OG1-CD2 3.49Å; L226-F231 HydrophobicContact CD2-CB 4.38Å; F231-C233 HydrophobicContact CD1-CB 3.97Å; F231-C233 HydrophobicContact CE1-CB 3.2Å; F231-C233 HydrophobicContact CZ-CB 3.63Å | ||
| 232 | D | 50.9 | Low | 57.5 | Low | 113 Ų | 113 | 98.3 Ų | 98.3 | 60% | 0.604 | 51% | 0.511 | S | S | * | . | trans | -99.3 | 127.6 | 157.4 | -168.8 | -3.3 | 0 | 0 | 0 | 110 | T230 K234 | T230-D232 PolarHBondContact O-N 3.47Å; D232-K234 PolarHBondContact OD1-N 3.32Å | ||
| 233 | C | 54.1 | Low | 55.3 | Low | 29 Ų | 29 | 103.7 Ų | 103.7 | 20% | 0.196 | 54% | 0.536 | C | S | . | . | trans | -132.2 | 15.3 | 176.6 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | F231 | F231-C233 HydrophobicContact CD1-CB 3.97Å; F231-C233 HydrophobicContact CE1-CB 3.2Å; F231-C233 HydrophobicContact CZ-CB 3.63Å | ||
| 234 | K | 44.5 | Very low | 53.2 | Low | 134 Ų | 134 | 108.3 Ų | 108.3 | 58% | 0.583 | 56% | 0.563 | S | S | * | * | trans | -109.9 | -4.3 | 177.2 | -80 | -166.5 | 168.7 | -177.9 | 0 | 114.3 | T171 D232 E236 K237 | T171-K234 HydrophobicContact CG2-CD 3.88Å; T171-K234 VanDerWaalsContact CG2-NZ 3.34Å; D232-K234 PolarHBondContact OD1-N 3.32Å; K234-E236 PolarHBondContact O-N 3.1Å; K234-K237 PolarHBondContact O-N 3.26Å | ||
| 235 | S | 36.9 | Very low | 51.3 | Low | 88 Ų | 88 | 110.9 Ų | 110.9 | 62% | 0.615 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 59.1 | 172.8 | 67.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 236 | E | 45 | Very low | 49.4 | Very low | 96 Ų | 96 | 117.5 Ų | 117.5 | 45% | 0.449 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -154 | -30.5 | 168.4 | -143.4 | 165.2 | -156.8 | 0 | 0 | 110.6 | R184 K234 Q238 A239 | R184-E236 IonicContact CZ-OE2 3.04Å; R184-E236 IonicContact NE-OE2 2.69Å; R184-E236 IonicContact NH2-OE2 3.49Å; R184-E236 PolarHBondContact NH2-OE2 3.11Å; K234-E236 PolarHBondContact O-N 3.1Å; E236-Q238 VanDerWaalsContact C-N 3.29Å; E236-Q238 PolarHBondContact O-N 3.35Å; E236-A239 PolarHBondContact O-N 3.35Å |
| 237 | K | 40.4 | Very low | 47.8 | Very low | 173 Ų | 173 | 117.7 Ų | 117.7 | 75% | 0.752 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 2.4 | 176.9 | -80.6 | -162 | 170.7 | -164.2 | 0 | 116.4 | K234 | K234-K237 PolarHBondContact O-N 3.26Š|
| 238 | Q | 34.1 | Very low | 45.8 | Very low | 159 Ų | 159 | 118.8 Ų | 118.8 | 74% | 0.743 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | -4.1 | 171.1 | -64.7 | -171.3 | -86 | 0 | 0 | 112.4 | E236 | E236-Q238 VanDerWaalsContact C-N 3.29Å; E236-Q238 PolarHBondContact O-N 3.35Å |
| 239 | A | 39 | Very low | 44.3 | Very low | 48 Ų | 48 | 121.9 Ų | 121.9 | 40% | 0.397 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.2 | -33.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | E236 E241 E242 E243 | E236-A239 PolarHBondContact O-N 3.35Å; A239-E241 PolarHBondContact O-N 2.8Å; A239-E242 PolarHBondContact O-N 3.3Å; A239-E243 PolarHBondContact O-N 2.9Å; A239-E243 VanDerWaalsContact O-N 3.1Å |
| 240 | E | 41.8 | Very low | 43.3 | Very low | 132 Ų | 132 | 124.3 Ų | 124.3 | 62% | 0.617 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -7.7 | 177.8 | -68.3 | 176.2 | 153.8 | 0 | 0 | 114.8 | ||
| 241 | E | 43.2 | Very low | 42.8 | Very low | 145 Ų | 145 | 122.2 Ų | 122.2 | 68% | 0.678 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | -9.3 | 175.7 | -69.4 | -174.5 | 157.5 | 0 | 0 | 114.1 | A239 | A239-E241 PolarHBondContact O-N 2.8Š|
| 242 | E | 41.4 | Very low | 42.7 | Very low | 165 Ų | 165 | 121.3 Ų | 121.3 | 77% | 0.771 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | -22.1 | 173.4 | -75.1 | -172.9 | 144.9 | 0 | 0 | 113.2 | A239 D244 | A239-E242 PolarHBondContact O-N 3.3Å; E242-D244 VanDerWaalsContact C-N 3.27Å; E242-D244 PolarHBondContact O-N 3.48Å |
| 243 | E | 41.1 | Very low | 42.9 | Very low | 113 Ų | 113 | 118.1 Ų | 118.1 | 53% | 0.528 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -68.4 | -19.5 | 177.6 | -107.7 | -166.5 | 117.7 | 0 | 0 | 114.7 | A239 N245 N247 | A239-E243 PolarHBondContact O-N 2.9Å; A239-E243 VanDerWaalsContact O-N 3.1Å; E243-N245 PolarHBondContact O-N 2.8Å; E243-N247 WeakPolarHBondContact O-CB 3.14Å; E243-N247 PolarHBondContact O-N 3.49Å; E243-N247 PolarHBondContact O-ND2 2.94Å; E243-N247 PolarHBondContact OE1-ND2 3.26Å |
| 244 | D | 41.7 | Very low | 42.9 | Very low | 147 Ų | 147 | 121.5 Ų | 121.5 | 79% | 0.786 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -66.6 | -14.1 | -178 | -88.5 | -8.2 | 0 | 0 | 0 | 113.8 | E242 | E242-D244 VanDerWaalsContact C-N 3.27Å; E242-D244 PolarHBondContact O-N 3.48Å |
| 245 | N | 45.3 | Very low | 43.3 | Very low | 154 Ų | 154 | 119.8 Ų | 119.8 | 82% | 0.824 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -105.9 | -18.6 | -174.8 | -134.9 | -3.9 | 0 | 0 | 0 | 114.4 | E243 | E243-N245 PolarHBondContact O-N 2.8Š|
| 246 | E | 40.9 | Very low | 44.5 | Very low | 186 Ų | 186 | 121.2 Ų | 121.2 | 87% | 0.869 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -22.7 | 174.4 | -72.3 | -162.8 | 130.2 | 0 | 0 | 113.4 | K248 | E246-K248 PolarHBondContact O-N 3.14Š|
| 247 | N | 43.3 | Very low | 45.2 | Very low | 70 Ų | 70 | 118.9 Ų | 118.9 | 37% | 0.374 | 62% | 0.615 | S | S | . | * | trans | -79.8 | 46.7 | 175.1 | -78.8 | -48.9 | 0 | 0 | 0 | 113.5 | E243 W249 | E243-N247 WeakPolarHBondContact O-CB 3.14Å; E243-N247 PolarHBondContact O-N 3.49Å; E243-N247 PolarHBondContact O-ND2 2.94Å; E243-N247 PolarHBondContact OE1-ND2 3.26Å; N247-W249 VanDerWaalsContact O-CD1 3.22Å; N247-W249 PolarHBondContact O-N 2.82Å | ||
| 248 | K | 36.2 | Very low | 46.3 | Very low | 179 Ų | 179 | 114.2 Ų | 114.2 | 78% | 0.778 | 60% | 0.597 | S | S | * | * | trans | -73.1 | 73.9 | 164.4 | -170 | 178.8 | 179 | 177 | 0 | 109.6 | E246 N250 | E246-K248 PolarHBondContact O-N 3.14Å; K248-N250 PolarHBondContact O-N 3.3Å | ||
| 249 | W | 40.6 | Very low | 47.9 | Very low | 186 Ų | 186 | 109.1 Ų | 109.1 | 71% | 0.705 | 58% | 0.579 | S | S | * | * | trans | -55 | 107.4 | 167.5 | -68.4 | 90.3 | 0 | 0 | 0 | 108.4 | N247 A251 | N247-W249 VanDerWaalsContact O-CD1 3.22Å; N247-W249 PolarHBondContact O-N 2.82Å; W249-A251 PolarHBondContact O-N 2.9Å | ||
| 250 | N | 40.3 | Very low | 49.2 | Very low | 118 Ų | 118 | 109.4 Ų | 109.4 | 63% | 0.631 | 58% | 0.581 | S | S | * | * | trans | -56.7 | 123.1 | 167 | -72.7 | -44.4 | 0 | 0 | 0 | 106.8 | K248 G252 A253 | K248-N250 PolarHBondContact O-N 3.3Å; N250-G252 PolarHBondContact O-N 2.95Å; N250-A253 WeakPolarHBondContact O-CB 3.35Å; N250-A253 PolarHBondContact O-N 2.89Å | ||
| 251 | A | 46.2 | Very low | 50.3 | Low | 74 Ų | 74 | 109 Ų | 109 | 61% | 0.612 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -51.8 | -38.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | W249 A253 L254 D255 | W249-A251 PolarHBondContact O-N 2.9Å; A251-A253 VanDerWaalsContact C-N 3.29Å; A251-A253 PolarHBondContact O-N 3.34Å; A251-L254 WeakPolarHBondContact O-CB 3.37Å; A251-L254 PolarHBondContact O-N 3.42Å; A251-D255 PolarHBondContact O-N 2.73Å |
| 252 | G | 50.1 | Low | 51.4 | Low | 39 Ų | 39 | 108 Ų | 108 | 40% | 0.402 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -58.6 | -31.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N250 L254 D255 D256 | N250-G252 PolarHBondContact O-N 2.95Å; G252-L254 VanDerWaalsContact C-N 3.28Å; G252-L254 PolarHBondContact O-N 3.45Å; G252-D255 PolarHBondContact O-N 2.69Å; G252-D256 VanDerWaalsContact O-CB 3.3Å; G252-D256 WeakPolarHBondContact O-CB 3.49Å; G252-D256 PolarHBondContact O-N 2.78Å |
| 253 | A | 54.3 | Low | 52.5 | Low | 45 Ų | 45 | 106.2 Ų | 106.2 | 37% | 0.372 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70 | -25.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N250 A251 A257 | N250-A253 WeakPolarHBondContact O-CB 3.35Å; N250-A253 PolarHBondContact O-N 2.89Å; A251-A253 VanDerWaalsContact C-N 3.29Å; A251-A253 PolarHBondContact O-N 3.34Å; A253-A257 VanDerWaalsContact O-CB 3.28Å; A253-A257 WeakPolarHBondContact O-CB 3.3Å; A253-A257 PolarHBondContact O-N 3.33Å; A253-A257 VanDerWaalsContact O-N 3.17Å |
| 254 | L | 54.1 | Low | 53.5 | Low | 101 Ų | 101 | 103 Ų | 103 | 53% | 0.529 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -77.1 | -43.4 | 172.4 | -176.9 | 63.2 | 0 | 0 | 0 | 110.6 | A251 G252 A257 I258 | A251-L254 WeakPolarHBondContact O-CB 3.37Å; A251-L254 PolarHBondContact O-N 3.42Å; G252-L254 VanDerWaalsContact C-N 3.28Å; G252-L254 PolarHBondContact O-N 3.45Å; L254-A257 PolarHBondContact O-N 3.44Å; L254-I258 HydrophobicContact CD1-CD1 4.29Å; L254-I258 HydrophobicContact CG-CD1 3.95Å; L254-I258 WeakPolarHBondContact O-CB 3.35Å; L254-I258 VanDerWaalsContact O-CG1 3.26Å; L254-I258 WeakPolarHBondContact O-CG1 3.41Å; L254-I258 PolarHBondContact O-N 2.98Å |
| 255 | D | 54.1 | Low | 54.4 | Low | 98 Ų | 98 | 98.2 Ų | 98.2 | 52% | 0.524 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 175.3 | -71.5 | -43.5 | 0 | 0 | 0 | 112.4 | A251 G252 I258 S259 | A251-D255 PolarHBondContact O-N 2.73Å; G252-D255 PolarHBondContact O-N 2.69Å; D255-I258 PolarHBondContact O-N 3Å; D255-S259 VanDerWaalsContact O-CB 3.25Å; D255-S259 WeakPolarHBondContact O-CB 3.35Å; D255-S259 PolarHBondContact O-N 3.03Å; D255-S259 PolarHBondContact O-OG 2.75Å |
| 256 | D | 62.5 | Low | 55 | Low | 117 Ų | 117 | 95.4 Ų | 95.4 | 63% | 0.626 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.9 | -42.2 | 172.2 | -74.7 | -27.8 | 0 | 0 | 0 | 111.2 | G252 S259 A260 | G252-D256 VanDerWaalsContact O-CB 3.3Å; G252-D256 WeakPolarHBondContact O-CB 3.49Å; G252-D256 PolarHBondContact O-N 2.78Å; D256-S259 PolarHBondContact O-N 3.31Å; D256-A260 VanDerWaalsContact O-CB 3.3Å; D256-A260 WeakPolarHBondContact O-CB 3.21Å; D256-A260 PolarHBondContact O-N 3.37Å |
| 257 | A | 58 | Low | 55.6 | Low | 47 Ų | 47 | 89.4 Ų | 89.4 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.6 | -37.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A253 L254 L261 | A253-A257 VanDerWaalsContact O-CB 3.28Å; A253-A257 WeakPolarHBondContact O-CB 3.3Å; A253-A257 PolarHBondContact O-N 3.33Å; A253-A257 VanDerWaalsContact O-N 3.17Å; L254-A257 PolarHBondContact O-N 3.44Å; A257-L261 WeakPolarHBondContact O-CB 3.43Å; A257-L261 WeakPolarHBondContact O-CG 3.32Å; A257-L261 PolarHBondContact O-N 3.44Å |
| 258 | I | 63.5 | Low | 56.2 | Low | 76 Ų | 76 | 90.7 Ų | 90.7 | 39% | 0.39 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.4 | -48.3 | 172.4 | -70.7 | 166.3 | 0 | 0 | 0 | 109.4 | L254 D255 A260 L261 E262 | L254-I258 HydrophobicContact CD1-CD1 4.29Å; L254-I258 HydrophobicContact CG-CD1 3.95Å; L254-I258 WeakPolarHBondContact O-CB 3.35Å; L254-I258 VanDerWaalsContact O-CG1 3.26Å; L254-I258 WeakPolarHBondContact O-CG1 3.41Å; L254-I258 PolarHBondContact O-N 2.98Å; D255-I258 PolarHBondContact O-N 3Å; I258-A260 VanDerWaalsContact C-N 3.32Å; I258-A260 PolarHBondContact O-N 2.99Å; I258-L261 CarbonylContact O-C 3.58Å; I258-L261 PolarHBondContact O-N 3.08Å; I258-L261 VanDerWaalsContact O-N 3.08Å; I258-E262 HydrophobicContact CG2-CG 4.46Å; I258-E262 PolarHBondContact O-N 2.98Å |
| 259 | S | 69.4 | Low | 57.2 | Low | 51 Ų | 51 | 87.2 Ų | 87.2 | 36% | 0.357 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.4 | -40.5 | 177.3 | -61.7 | 0 | 0 | 0 | 0 | 112.3 | D255 D256 Q263 | D255-S259 VanDerWaalsContact O-CB 3.25Å; D255-S259 WeakPolarHBondContact O-CB 3.35Å; D255-S259 PolarHBondContact O-N 3.03Å; D255-S259 PolarHBondContact O-OG 2.75Å; D256-S259 PolarHBondContact O-N 3.31Å; S259-Q263 WeakPolarHBondContact O-CB 3.41Å; S259-Q263 VanDerWaalsContact O-CG 3.27Å; S259-Q263 WeakPolarHBondContact O-CG 3.34Å; S259-Q263 PolarHBondContact O-N 3.38Å |
| 260 | A | 65.9 | Low | 57.6 | Low | 54 Ų | 54 | 84.7 Ų | 84.7 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.5 | -37.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D256 I258 A264 | D256-A260 VanDerWaalsContact O-CB 3.3Å; D256-A260 WeakPolarHBondContact O-CB 3.21Å; D256-A260 PolarHBondContact O-N 3.37Å; I258-A260 VanDerWaalsContact C-N 3.32Å; I258-A260 PolarHBondContact O-N 2.99Å; A260-A264 VanDerWaalsContact O-CB 3.29Å; A260-A264 WeakPolarHBondContact O-CB 3.29Å; A260-A264 PolarHBondContact O-N 3.17Å |
| 261 | L | 64.5 | Low | 58.3 | Low | 124 Ų | 124 | 86.3 Ų | 86.3 | 65% | 0.649 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -70.4 | -38 | 174.9 | -80.8 | 168.3 | 0 | 0 | 0 | 112.5 | A257 I258 A264 A265 | A257-L261 WeakPolarHBondContact O-CB 3.43Å; A257-L261 WeakPolarHBondContact O-CG 3.32Å; A257-L261 PolarHBondContact O-N 3.44Å; I258-L261 CarbonylContact O-C 3.58Å; I258-L261 PolarHBondContact O-N 3.08Å; I258-L261 VanDerWaalsContact O-N 3.08Å; L261-A264 PolarHBondContact O-N 2.61Å; L261-A265 VanDerWaalsContact O-CB 3.29Å; L261-A265 WeakPolarHBondContact O-CB 3.46Å; L261-A265 PolarHBondContact O-N 2.9Å |
| 262 | E | 66.4 | Low | 58.7 | Low | 124 Ų | 124 | 89 Ų | 89 | 58% | 0.579 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.5 | -46.4 | 172.9 | -73.2 | -167.1 | 151.9 | 0 | 0 | 111.1 | I258 A264 A265 I266 | I258-E262 HydrophobicContact CG2-CG 4.46Å; I258-E262 PolarHBondContact O-N 2.98Å; E262-A264 VanDerWaalsContact C-N 3.33Å; E262-A264 PolarHBondContact O-N 3.48Å; E262-A265 PolarHBondContact O-N 3.42Å; E262-A265 VanDerWaalsContact O-N 3.17Å; E262-I266 WeakPolarHBondContact O-CB 3.36Å; E262-I266 VanDerWaalsContact O-CG1 3.25Å; E262-I266 WeakPolarHBondContact O-CG1 3.41Å; E262-I266 PolarHBondContact O-N 3.21Å |
| 263 | Q | 64.6 | Low | 58.8 | Low | 128 Ų | 128 | 94.7 Ų | 94.7 | 60% | 0.598 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.8 | -44 | 173.3 | -72.9 | 174 | 49 | 0 | 0 | 111.6 | S259 A265 I266 C267 | S259-Q263 WeakPolarHBondContact O-CB 3.41Å; S259-Q263 VanDerWaalsContact O-CG 3.27Å; S259-Q263 WeakPolarHBondContact O-CG 3.34Å; S259-Q263 PolarHBondContact O-N 3.38Å; Q263-A265 PolarHBondContact O-N 3.23Å; Q263-I266 PolarHBondContact O-N 2.98Å; Q263-C267 WeakPolarHBondContact O-CB 3.48Å; Q263-C267 PolarHBondContact O-N 3.24Å; Q263-C267 PolarHBondContact O-SG 2.72Å |
| 264 | A | 61.6 | Low | 58.3 | Low | 45 Ų | 45 | 95.2 Ų | 95.2 | 37% | 0.372 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.9 | -34.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | A260 L261 E262 N268 | A260-A264 VanDerWaalsContact O-CB 3.29Å; A260-A264 WeakPolarHBondContact O-CB 3.29Å; A260-A264 PolarHBondContact O-N 3.17Å; L261-A264 PolarHBondContact O-N 2.61Å; E262-A264 VanDerWaalsContact C-N 3.33Å; E262-A264 PolarHBondContact O-N 3.48Å; A264-N268 WeakPolarHBondContact O-CB 3.49Å; A264-N268 PolarHBondContact O-N 3.46Å; A264-N268 PolarHBondContact O-ND2 3.44Å |
| 265 | A | 61 | Low | 57.9 | Low | 47 Ų | 47 | 102.8 Ų | 102.8 | 39% | 0.388 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.1 | -46.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L261 E262 Q263 C267 N268 I269 | L261-A265 VanDerWaalsContact O-CB 3.29Å; L261-A265 WeakPolarHBondContact O-CB 3.46Å; L261-A265 PolarHBondContact O-N 2.9Å; E262-A265 PolarHBondContact O-N 3.42Å; E262-A265 VanDerWaalsContact O-N 3.17Å; Q263-A265 PolarHBondContact O-N 3.23Å; A265-C267 VanDerWaalsContact C-N 3.33Å; A265-C267 PolarHBondContact O-N 2.84Å; A265-N268 PolarHBondContact O-N 3.19Å; A265-N268 VanDerWaalsContact O-N 3.17Å; A265-I269 WeakPolarHBondContact O-CB 3.37Å; A265-I269 VanDerWaalsContact O-CG1 3.28Å; A265-I269 WeakPolarHBondContact O-CG1 3.39Å; A265-I269 PolarHBondContact O-N 3.04Å |
| 266 | I | 57.1 | Low | 57.4 | Low | 95 Ų | 95 | 102.9 Ų | 102.9 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 174.3 | -68.3 | 163.8 | 0 | 0 | 0 | 110.1 | E262 Q263 N268 I269 F270 | E262-I266 WeakPolarHBondContact O-CB 3.36Å; E262-I266 VanDerWaalsContact O-CG1 3.25Å; E262-I266 WeakPolarHBondContact O-CG1 3.41Å; E262-I266 PolarHBondContact O-N 3.21Å; Q263-I266 PolarHBondContact O-N 2.98Å; I266-N268 PolarHBondContact O-N 2.89Å; I266-I269 PolarHBondContact O-N 3.15Å; I266-F270 HydrophobicContact CG2-CD2 4.18Å; I266-F270 WeakPolarHBondContact O-CB 3.41Å; I266-F270 PolarHBondContact O-N 2.68Å |
| 267 | C | 54.7 | Low | 56.9 | Low | 60 Ų | 60 | 102.6 Ų | 102.6 | 41% | 0.405 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 175 | -71.9 | 0 | 0 | 0 | 0 | 112.7 | Q263 A265 W271 | Q263-C267 WeakPolarHBondContact O-CB 3.48Å; Q263-C267 PolarHBondContact O-N 3.24Å; Q263-C267 PolarHBondContact O-SG 2.72Å; A265-C267 VanDerWaalsContact C-N 3.33Å; A265-C267 PolarHBondContact O-N 2.84Å; C267-W271 WeakPolarHBondContact O-CB 3.36Å; C267-W271 PolarHBondContact O-N 3.27Å |
| 268 | N | 55.5 | Low | 56.4 | Low | 96 Ų | 96 | 109.6 Ų | 109.6 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.5 | -36 | 176.5 | -86.1 | -69.2 | 0 | 0 | 0 | 113 | A264 A265 I266 N272 | A264-N268 WeakPolarHBondContact O-CB 3.49Å; A264-N268 PolarHBondContact O-N 3.46Å; A264-N268 PolarHBondContact O-ND2 3.44Å; A265-N268 PolarHBondContact O-N 3.19Å; A265-N268 VanDerWaalsContact O-N 3.17Å; I266-N268 PolarHBondContact O-N 2.89Å; N268-N272 PolarHBondContact O-N 3.48Å; N268-N272 VanDerWaalsContact O-N 3.09Å; N268-N272 PolarHBondContact O-ND2 3.11Å |
| 269 | I | 56.9 | Low | 55.9 | Low | 107 Ų | 107 | 112 Ų | 112 | 55% | 0.549 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.1 | -50.7 | 174.1 | -68.6 | 164.7 | 0 | 0 | 0 | 109.2 | A265 I266 W271 N272 H273 | A265-I269 WeakPolarHBondContact O-CB 3.37Å; A265-I269 VanDerWaalsContact O-CG1 3.28Å; A265-I269 WeakPolarHBondContact O-CG1 3.39Å; A265-I269 PolarHBondContact O-N 3.04Å; I266-I269 PolarHBondContact O-N 3.15Å; I269-W271 VanDerWaalsContact C-N 3.3Å; I269-W271 PolarHBondContact O-N 3.46Å; I269-N272 PolarHBondContact O-N 3.44Å; I269-H273 WeakPolarHBondContact O-CB 3.39Å; I269-H273 PolarHBondContact O-N 3.09Å |
| 270 | F | 48.9 | Very low | 55 | Low | 132 Ų | 132 | 117.1 Ų | 117.1 | 58% | 0.579 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.9 | -36.1 | 176.6 | -100.2 | -95.6 | 0 | 0 | 0 | 113.5 | I266 | I266-F270 HydrophobicContact CG2-CD2 4.18Å; I266-F270 WeakPolarHBondContact O-CB 3.41Å; I266-F270 PolarHBondContact O-N 2.68Å |
| 271 | W | 55.2 | Low | 54.1 | Low | 153 Ų | 153 | 119.7 Ų | 119.7 | 58% | 0.58 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.6 | -39.4 | 176.8 | -176 | -89.9 | 0 | 0 | 0 | 112.9 | C267 I269 | C267-W271 WeakPolarHBondContact O-CB 3.36Å; C267-W271 PolarHBondContact O-N 3.27Å; I269-W271 VanDerWaalsContact C-N 3.3Å; I269-W271 PolarHBondContact O-N 3.46Å |
| 272 | N | 54.6 | Low | 53.6 | Low | 129 Ų | 129 | 118.5 Ų | 118.5 | 69% | 0.69 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -84.8 | -34.4 | 179.6 | -77 | -79.8 | 0 | 0 | 0 | 113.2 | N268 I269 S274 | N268-N272 PolarHBondContact O-N 3.48Å; N268-N272 VanDerWaalsContact O-N 3.09Å; N268-N272 PolarHBondContact O-ND2 3.11Å; I269-N272 PolarHBondContact O-N 3.44Å; N272-S274 VanDerWaalsContact C-N 3.35Å; N272-S274 PolarHBondContact O-N 3.42Å |
| 273 | H | 51.9 | Low | 53 | Low | 160 Ų | 160 | 116.7 Ų | 116.7 | 74% | 0.741 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -86.9 | -1.8 | -169.6 | -144.2 | -96.1 | 0 | 0 | 0 | 114.2 | I269 | I269-H273 WeakPolarHBondContact O-CB 3.39Å; I269-H273 PolarHBondContact O-N 3.09Å |
| 274 | S | 45.2 | Very low | 52.2 | Low | 56 Ų | 56 | 117.1 Ų | 117.1 | 39% | 0.392 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -152.7 | 131.5 | 175.9 | -73.8 | 0 | 0 | 0 | 0 | 111.9 | N272 W276 | N272-S274 VanDerWaalsContact C-N 3.35Å; N272-S274 PolarHBondContact O-N 3.42Å; S274-W276 PolarHBondContact O-N 2.91Å |
| 275 | R | 45.3 | Very low | 51.2 | Low | 260 Ų | 260 | 122.5 Ų | 122.5 | 98% | 0.981 | 57% | 0.572 | S | S | * | * | trans | -73.5 | 43.9 | -176.5 | -140.2 | 178.9 | -160.5 | 174.5 | 4.6 | 112.2 | N277 | R275-N277 PolarHBondContact O-N 3.21Š| ||
| 276 | W | 43.6 | Very low | 50.5 | Low | 99 Ų | 99 | 124.5 Ų | 124.5 | 38% | 0.375 | 58% | 0.579 | S | S | . | * | trans | -60.5 | 121.4 | -175 | -74.3 | 90.7 | 0 | 0 | 0 | 110.1 | S274 R278 R280 | S274-W276 PolarHBondContact O-N 2.91Å; W276-R278 PolarHBondContact O-N 3.37Å; W276-R280 HydrophobicContact CE3-CB 4.08Å; W276-R280 HydrophobicContact CE3-CG 3.74Å; W276-R280 VanDerWaalsContact CZ3-CD 3.41Å; W276-R280 HydrophobicContact CZ3-CG 3.72Å; W276-R280 VanDerWaalsContact CZ3-CZ 3.47Å; W276-R280 VanDerWaalsContact CZ3-NH1 3.26Å | ||
| 277 | N | 50.7 | Low | 49.7 | Very low | 111 Ų | 111 | 125.4 Ų | 125.4 | 59% | 0.594 | 59% | 0.592 | S | S | * | * | trans | -57.2 | 131.7 | 173.8 | -164.8 | -7.3 | 0 | 0 | 0 | 108.8 | R275 L279 R280 W281 | R275-N277 PolarHBondContact O-N 3.21Å; N277-L279 PolarHBondContact O-N 3.11Å; N277-R280 WeakPolarHBondContact O-CB 3.27Å; N277-R280 PolarHBondContact O-N 3.26Å; N277-W281 PolarHBondContact O-N 3.35Å | ||
| 278 | R | 49 | Very low | 48.9 | Very low | 194 Ų | 194 | 129.2 Ų | 129.2 | 73% | 0.732 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -53.1 | -31.8 | -168.7 | -159 | -179.6 | -155.4 | -164.4 | 6.1 | 113.2 | W276 N282 | W276-R278 PolarHBondContact O-N 3.37Å; R278-N282 PolarHBondContact O-N 3.05Å |
| 279 | L | 51.8 | Low | 47.9 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 66% | 0.66 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.1 | -40.7 | 175.5 | -63.8 | 165.7 | 0 | 0 | 0 | 112.8 | N277 N282 S283 | N277-L279 PolarHBondContact O-N 3.11Å; L279-N282 PolarHBondContact O-N 2.72Å; L279-S283 PolarHBondContact O-N 3.46Å; L279-S283 PolarHBondContact O-OG 2.82Å |
| 280 | R | 51.1 | Low | 46.7 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 60% | 0.604 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -76.1 | -26 | -178.6 | -158.7 | 173.4 | -175 | -149.7 | 6.8 | 112.4 | W276 N277 S283 F284 | W276-R280 HydrophobicContact CE3-CB 4.08Å; W276-R280 HydrophobicContact CE3-CG 3.74Å; W276-R280 VanDerWaalsContact CZ3-CD 3.41Å; W276-R280 HydrophobicContact CZ3-CG 3.72Å; W276-R280 VanDerWaalsContact CZ3-CZ 3.47Å; W276-R280 VanDerWaalsContact CZ3-NH1 3.26Å; N277-R280 WeakPolarHBondContact O-CB 3.27Å; N277-R280 PolarHBondContact O-N 3.26Å; R280-S283 PolarHBondContact O-N 2.82Å; R280-F284 WeakPolarHBondContact O-CB 3.32Å; R280-F284 PolarHBondContact O-N 2.81Å |
| 281 | W | 47 | Very low | 45.9 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 41% | 0.405 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -63.6 | -48.7 | 169.2 | -171.2 | 101.7 | 0 | 0 | 0 | 110.8 | N277 S283 F284 W285 | N277-W281 PolarHBondContact O-N 3.35Å; W281-S283 VanDerWaalsContact C-N 3.27Å; W281-S283 PolarHBondContact O-N 3Å; W281-F284 PolarHBondContact O-N 3.1Å; W281-W285 PolarHBondContact O-N 3.17Å |
| 282 | N | 53.7 | Low | 45 | Very low | 100 Ų | 100 | 130 Ų | 130 | 54% | 0.535 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -63 | -30.3 | 176.7 | -76.4 | -6.9 | 0 | 0 | 0 | 113 | R278 L279 | R278-N282 PolarHBondContact O-N 3.05Å; L279-N282 PolarHBondContact O-N 2.72Å |
| 283 | S | 54.4 | Low | 44 | Very low | 86 Ų | 86 | 132.1 Ų | 132.1 | 60% | 0.601 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -81.1 | -22.4 | 175.6 | -57.7 | 0 | 0 | 0 | 0 | 114.6 | L279 R280 W281 | L279-S283 PolarHBondContact O-N 3.46Å; L279-S283 PolarHBondContact O-OG 2.82Å; R280-S283 PolarHBondContact O-N 2.82Å; W281-S283 VanDerWaalsContact C-N 3.27Å; W281-S283 PolarHBondContact O-N 3Å |
| 284 | F | 47 | Very low | 43.1 | Very low | 136 Ų | 136 | 129 Ų | 129 | 60% | 0.596 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -79.9 | -30.1 | 177.3 | -169.3 | -88.3 | 0 | 0 | 0 | 111.7 | R280 W281 | R280-F284 WeakPolarHBondContact O-CB 3.32Å; R280-F284 PolarHBondContact O-N 2.81Å; W281-F284 PolarHBondContact O-N 3.1Å |
| 285 | W | 40.9 | Very low | 42.6 | Very low | 158 Ų | 158 | 133.6 Ų | 133.6 | 60% | 0.598 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | 43.8 | 179.5 | -63.1 | 101.6 | 0 | 0 | 0 | 112.6 | W281 | W281-W285 PolarHBondContact O-N 3.17Š|
| 286 | T | 45.6 | Very low | 41.9 | Very low | 90 Ų | 90 | 127.7 Ų | 127.7 | 55% | 0.552 | 69% | 0.693 | S | S | * | * | trans | -75.2 | 124.9 | 161.1 | 50.6 | 0 | 0 | 0 | 0 | 109.1 | V288 | T286-V288 PolarHBondContact O-N 3.42Š| ||
| 287 | P | 40.2 | Very low | 41.2 | Very low | 114 Ų | 114 | 126 Ų | 126 | 74% | 0.74 | 71% | 0.707 | S | S | * | * | trans | -58.9 | 122 | 176.5 | -23 | 33.4 | 0 | 0 | 0 | 110.9 | N289 | P287-N289 VanDerWaalsContact C-N 3.3Å; P287-N289 PolarHBondContact O-N 2.87Å | ||
| 288 | V | 38.2 | Very low | 40.4 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 85% | 0.848 | 72% | 0.72 | S | S | * | * | trans | -73.6 | 86.8 | 172.8 | 179.9 | 0 | 0 | 0 | 0 | 108 | T286 | T286-V288 PolarHBondContact O-N 3.42Š| ||
| 289 | N | 34.1 | Very low | 39.7 | Very low | 144 Ų | 144 | 122.1 Ų | 122.1 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | trans | -151.5 | 47.3 | 177.9 | -150.9 | 6.9 | 0 | 0 | 0 | 114.8 | P287 | P287-N289 VanDerWaalsContact C-N 3.3Å; P287-N289 PolarHBondContact O-N 2.87Å | ||
| 290 | T | 33 | Very low | 38.8 | Very low | 141 Ų | 141 | 122.1 Ų | 122.1 | 87% | 0.865 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -152.6 | 72.5 | 166.9 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | ||
| 291 | S | 32.1 | Very low | 38 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -158.1 | 27.8 | 169.7 | 63.3 | 0 | 0 | 0 | 0 | 115 | ||
| 292 | A | 35.4 | Very low | 37.5 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 84% | 0.835 | 74% | 0.739 | S | S | * | * | trans | -131.9 | 23.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 293 | L | 34.1 | Very low | 36.9 | Very low | 175 Ų | 175 | 125.4 Ų | 125.4 | 92% | 0.916 | 76% | 0.756 | S | S | * | * | trans | -121.2 | 60.2 | 168.8 | -96.8 | 164.7 | 0 | 0 | 0 | 110.6 | ||||
| 294 | A | 33 | Very low | 35.8 | Very low | 93 Ų | 93 | 128.9 Ų | 128.9 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -89.2 | 89.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 295 | N | 35 | Very low | 35.5 | Very low | 153 Ų | 153 | 127.2 Ų | 127.2 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -175 | 123.5 | 151.7 | -102.2 | -17.9 | 0 | 0 | 0 | 112.3 | ||||
| 296 | C | 29.1 | Very low | 35.1 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 93% | 0.926 | 78% | 0.78 | S | S | * | * | trans | 56.2 | 125.9 | 156.9 | -152.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 297 | G | 30.9 | Very low | 34.4 | Very low | 64 Ų | 64 | 130.3 Ų | 130.3 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | cis | 170.6 | 154.8 | -2.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 298 | S | 32.2 | Very low | 34 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | 45.3 | 122.3 | 157.1 | -65.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 299 | S | 34.3 | Very low | 33.9 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | 94.9 | 96.3 | 127.7 | -156.5 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 300 | N | 32.7 | Very low | 34 | Very low | 126 Ų | 126 | 132 Ų | 132 | 67% | 0.674 | 79% | 0.79 | S | S | * | * | 86.1 | 132.3 | 122.4 | -78 | 37.8 | 0 | 0 | 0 | 122.1 | |||||
| 301 | D | 34.7 | Very low | 34.1 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 66% | 0.658 | 79% | 0.785 | S | S | * | * | trans | 74.9 | 114 | 142.4 | -48.2 | -18.8 | 0 | 0 | 0 | 119 | ||||
| 302 | D | 37.1 | Very low | 34.2 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | 47.4 | 109.6 | 141.4 | -49.9 | -33.1 | 0 | 0 | 0 | 119.7 | ||||
| 303 | D | 40.6 | Very low | 34.4 | Very low | 166 Ų | 166 | 136 Ų | 136 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | -172.9 | 155.4 | 103.1 | -109.7 | -37.3 | 0 | 0 | 0 | 114.6 | S305 | D303-S305 PolarHBondContact O-N 3.12Š| |||
| 304 | D | 32.5 | Very low | 34.4 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -73.8 | 115.6 | -177.1 | -166.7 | -7.8 | 0 | 0 | 0 | 111.9 | ||||
| 305 | S | 39.2 | Very low | 34.3 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -147.1 | 129.7 | 165.6 | 62.6 | 0 | 0 | 0 | 0 | 113.9 | D303 F307 | D303-S305 PolarHBondContact O-N 3.12Å; S305-F307 PolarHBondContact O-N 3.41Å | ||
| 306 | S | 33 | Very low | 34.4 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | trans | -68.6 | 111.3 | -173.1 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 307 | F | 30.4 | Very low | 34.9 | Very low | 207 Ų | 207 | 135.8 Ų | 135.8 | 91% | 0.908 | 75% | 0.745 | S | S | * | * | trans | -117.9 | 89.4 | 158.9 | -107 | -89.7 | 0 | 0 | 0 | 111.7 | S305 R309 | S305-F307 PolarHBondContact O-N 3.41Å; F307-R309 PolarHBondContact O-N 2.88Å | ||
| 308 | S | 33.3 | Very low | 35.4 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | trans | -67.1 | 88.5 | 178.2 | -71.8 | 0 | 0 | 0 | 0 | 112 | S310 | S308-S310 VanDerWaalsContact O-CB 3.27Å; S308-S310 WeakPolarHBondContact O-CB 3.4Å; S308-S310 PolarHBondContact O-N 3.44Å; S308-S310 PolarHBondContact O-OG 3.22Å | ||
| 309 | R | 34.9 | Very low | 36 | Very low | 251 Ų | 251 | 132.8 Ų | 132.8 | 95% | 0.947 | 71% | 0.71 | S | S | * | * | S | Bend | 27.6 | 32.9 | 127.6 | -150.7 | 169.9 | 174.3 | 170.2 | -2.6 | 119.5 | F307 | F307-R309 PolarHBondContact O-N 2.88Š| |
| 310 | S | 35.5 | Very low | 36.2 | Very low | 83 Ų | 83 | 135.6 Ų | 135.6 | 58% | 0.58 | 71% | 0.706 | S | S | * | * | trans | -114.8 | -23.4 | -171.7 | 65.4 | 0 | 0 | 0 | 0 | 114.2 | S308 F312 | S308-S310 VanDerWaalsContact O-CB 3.27Å; S308-S310 WeakPolarHBondContact O-CB 3.4Å; S308-S310 PolarHBondContact O-N 3.44Å; S308-S310 PolarHBondContact O-OG 3.22Å; S310-F312 VanDerWaalsContact C-N 3.26Å; S310-F312 PolarHBondContact O-N 2.86Å | ||
| 311 | S | 36 | Very low | 36.3 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 76% | 0.755 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -71.7 | -9.4 | -172.1 | -55.5 | 0 | 0 | 0 | 0 | 115.8 | ||
| 312 | F | 33.5 | Very low | 36.8 | Very low | 195 Ų | 195 | 132.6 Ų | 132.6 | 86% | 0.855 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -92.6 | 1.5 | -178.5 | -122.6 | -91.5 | 0 | 0 | 0 | 115 | S310 | S310-F312 VanDerWaalsContact C-N 3.26Å; S310-F312 PolarHBondContact O-N 2.86Å |
| 313 | N | 39.5 | Very low | 37 | Very low | 139 Ų | 139 | 131.2 Ų | 131.2 | 74% | 0.743 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -100.7 | 2.5 | 176.6 | -70.6 | -33 | 0 | 0 | 0 | 113.8 | ||
| 314 | H | 34.6 | Very low | 37.2 | Very low | 145 Ų | 145 | 128.4 Ų | 128.4 | 67% | 0.671 | 66% | 0.661 | S | S | * | * | trans | -84.7 | -14.9 | -177.3 | -142.5 | 121.6 | 0 | 0 | 0 | 113.8 | ||||
| 315 | W | 30.7 | Very low | 37.8 | Very low | 242 Ų | 242 | 125.1 Ų | 125.1 | 92% | 0.917 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -89.3 | 104.1 | 155.1 | -88.8 | -0.8 | 0 | 0 | 0 | 106.4 | ||
| 316 | N | 38.1 | Very low | 38.1 | Very low | 80 Ų | 80 | 125.6 Ų | 125.6 | 43% | 0.428 | 64% | 0.641 | S | S | . | * | S | Bend | -155.1 | 7.4 | 56.6 | -142.3 | -23.1 | 0 | 0 | 0 | 114.1 | T318 S319 W320 | N316-T318 VanDerWaalsContact C-N 3.28Å; N316-T318 PolarHBondContact O-N 3.26Å; N316-S319 PolarHBondContact O-N 3.43Å; N316-S319 VanDerWaalsContact O-N 3.1Å; N316-S319 WeakPolarHBondContact OD1-CB 3.34Å; N316-S319 PolarHBondContact OD1-OG 2.92Å; N316-W320 PolarHBondContact O-N 3.49Å | |
| 317 | S | 37.9 | Very low | 38.5 | Very low | 88 Ų | 88 | 127.1 Ų | 127.1 | 62% | 0.615 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -59.9 | -36.2 | -170.3 | -164.6 | 0 | 0 | 0 | 0 | 113.5 | H321 | S317-H321 PolarHBondContact O-N 2.88Å |
| 318 | T | 41.6 | Very low | 38.9 | Very low | 82 Ų | 82 | 119.7 Ų | 119.7 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -72.5 | -34.8 | 177.6 | -25.5 | 0 | 0 | 0 | 0 | 112.5 | N316 H321 S322 | N316-T318 VanDerWaalsContact C-N 3.28Å; N316-T318 PolarHBondContact O-N 3.26Å; T318-H321 PolarHBondContact O-N 3.01Å; T318-S322 PolarHBondContact O-N 3.08Å; T318-S322 PolarHBondContact O-OG 2.98Å |
| 319 | S | 45.3 | Very low | 39.2 | Very low | 43 Ų | 43 | 118.5 Ų | 118.5 | 30% | 0.301 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -74.2 | -34.2 | 177.2 | 126.8 | 0 | 0 | 0 | 0 | 111.6 | N316 H321 S322 Q323 | N316-S319 PolarHBondContact O-N 3.43Å; N316-S319 VanDerWaalsContact O-N 3.1Å; N316-S319 WeakPolarHBondContact OD1-CB 3.34Å; N316-S319 PolarHBondContact OD1-OG 2.92Å; S319-H321 VanDerWaalsContact C-N 3.31Å; S319-H321 PolarHBondContact O-N 2.73Å; S319-S322 PolarHBondContact O-N 3.49Å; S319-Q323 WeakPolarHBondContact O-CB 3.41Å; S319-Q323 VanDerWaalsContact O-CG 3.3Å; S319-Q323 WeakPolarHBondContact O-CG 3.18Å; S319-Q323 PolarHBondContact O-N 2.89Å |
| 320 | W | 38 | Very low | 39.7 | Very low | 158 Ų | 158 | 111.5 Ų | 111.5 | 60% | 0.598 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.2 | -35.3 | 168.6 | -82.5 | 80.6 | 0 | 0 | 0 | 112.4 | N316 Q324 | N316-W320 PolarHBondContact O-N 3.49Å; W320-Q324 WeakPolarHBondContact O-CB 3.35Å; W320-Q324 VanDerWaalsContact O-CG 3.23Å; W320-Q324 WeakPolarHBondContact O-CG 3.49Å; W320-Q324 PolarHBondContact O-N 3.43Å; W320-Q324 PolarHBondContact O-NE2 3.35Å |
| 321 | H | 35.9 | Very low | 39.8 | Very low | 120 Ų | 120 | 111.2 Ų | 111.2 | 56% | 0.556 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71 | -45.3 | 171.7 | -92.2 | 81.7 | 0 | 0 | 0 | 112.3 | S317 T318 S319 Q323 Q324 V325 | S317-H321 PolarHBondContact O-N 2.88Å; T318-H321 PolarHBondContact O-N 3.01Å; S319-H321 VanDerWaalsContact C-N 3.31Å; S319-H321 PolarHBondContact O-N 2.73Å; H321-Q323 VanDerWaalsContact C-N 3.34Å; H321-Q323 PolarHBondContact O-N 2.88Å; H321-Q324 CarbonylContact O-C 3.57Å; H321-Q324 PolarHBondContact O-N 3.49Å; H321-Q324 VanDerWaalsContact O-N 3.12Å; H321-V325 WeakPolarHBondContact O-CG2 3.47Å; H321-V325 PolarHBondContact O-N 3.49Å |
| 322 | S | 44.2 | Very low | 40.1 | Very low | 66 Ų | 66 | 111.9 Ų | 111.9 | 46% | 0.462 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.7 | -39.1 | 175.8 | -67.5 | 0 | 0 | 0 | 0 | 112.8 | T318 S319 V325 L326 | T318-S322 PolarHBondContact O-N 3.08Å; T318-S322 PolarHBondContact O-OG 2.98Å; S319-S322 PolarHBondContact O-N 3.49Å; S322-V325 PolarHBondContact O-N 2.81Å; S322-L326 WeakPolarHBondContact O-CB 3.48Å; S322-L326 VanDerWaalsContact O-CG 3.31Å; S322-L326 WeakPolarHBondContact O-CG 3.44Å; S322-L326 PolarHBondContact O-N 2.87Å |
| 323 | Q | 43.1 | Very low | 40.5 | Very low | 118 Ų | 118 | 107.8 Ų | 107.8 | 55% | 0.551 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.2 | -37 | 173.1 | -73.4 | -179.8 | 28 | 0 | 0 | 112 | S319 H321 K327 | S319-Q323 WeakPolarHBondContact O-CB 3.41Å; S319-Q323 VanDerWaalsContact O-CG 3.3Å; S319-Q323 WeakPolarHBondContact O-CG 3.18Å; S319-Q323 PolarHBondContact O-N 2.89Å; H321-Q323 VanDerWaalsContact C-N 3.34Å; H321-Q323 PolarHBondContact O-N 2.88Å; Q323-K327 WeakPolarHBondContact O-CB 3.47Å; Q323-K327 PolarHBondContact O-N 3.36Å |
| 324 | Q | 43 | Very low | 40.6 | Very low | 107 Ų | 107 | 104.5 Ų | 104.5 | 50% | 0.5 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -70.7 | -36.3 | 174.8 | -77.7 | 172.3 | 100.8 | 0 | 0 | 112.7 | W320 H321 K327 A328 | W320-Q324 WeakPolarHBondContact O-CB 3.35Å; W320-Q324 VanDerWaalsContact O-CG 3.23Å; W320-Q324 WeakPolarHBondContact O-CG 3.49Å; W320-Q324 PolarHBondContact O-N 3.43Å; W320-Q324 PolarHBondContact O-NE2 3.35Å; H321-Q324 CarbonylContact O-C 3.57Å; H321-Q324 PolarHBondContact O-N 3.49Å; H321-Q324 VanDerWaalsContact O-N 3.12Å; Q324-K327 PolarHBondContact O-N 3.48Å; Q324-A328 VanDerWaalsContact O-CB 3.27Å; Q324-A328 WeakPolarHBondContact O-CB 3.38Å; Q324-A328 PolarHBondContact O-N 2.76Å |
| 325 | V | 46.3 | Very low | 41 | Very low | 89 Ų | 89 | 100.3 Ų | 100.3 | 54% | 0.539 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.3 | -45.7 | 175.2 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | H321 S322 K327 A328 S329 | H321-V325 WeakPolarHBondContact O-CG2 3.47Å; H321-V325 PolarHBondContact O-N 3.49Å; S322-V325 PolarHBondContact O-N 2.81Å; V325-K327 VanDerWaalsContact C-N 3.31Å; V325-K327 PolarHBondContact O-N 3.11Å; V325-A328 PolarHBondContact O-N 3.05Å; V325-S329 PolarHBondContact O-N 3.1Å; V325-S329 PolarHBondContact O-OG 3.37Å |
| 326 | L | 44.2 | Very low | 41.3 | Very low | 112 Ų | 112 | 91 Ų | 91 | 59% | 0.586 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.1 | -41 | 173.6 | -73.4 | 168.8 | 0 | 0 | 0 | 111.6 | S322 S329 I330 | S322-L326 WeakPolarHBondContact O-CB 3.48Å; S322-L326 VanDerWaalsContact O-CG 3.31Å; S322-L326 WeakPolarHBondContact O-CG 3.44Å; S322-L326 PolarHBondContact O-N 2.87Å; L326-S329 PolarHBondContact O-N 2.84Å; L326-I330 WeakPolarHBondContact O-CB 3.23Å; L326-I330 WeakPolarHBondContact O-CD1 3.49Å; L326-I330 VanDerWaalsContact O-CG1 3.24Å; L326-I330 WeakPolarHBondContact O-CG1 3.09Å; L326-I330 PolarHBondContact O-N 3.46Å |
| 327 | K | 42.1 | Very low | 41.8 | Very low | 137 Ų | 137 | 97.7 Ų | 97.7 | 60% | 0.596 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62 | -43.6 | 174.2 | -170.8 | 175.8 | -170.4 | 64.7 | 0 | 112 | Q323 Q324 V325 I330 D331 | Q323-K327 WeakPolarHBondContact O-CB 3.47Å; Q323-K327 PolarHBondContact O-N 3.36Å; Q324-K327 PolarHBondContact O-N 3.48Å; V325-K327 VanDerWaalsContact C-N 3.31Å; V325-K327 PolarHBondContact O-N 3.11Å; K327-I330 PolarHBondContact O-N 3.17Å; K327-D331 WeakPolarHBondContact O-CB 3.24Å; K327-D331 VanDerWaalsContact O-CG 3.24Å; K327-D331 PolarHBondContact O-N 3Å |
| 328 | A | 39.7 | Very low | 42.4 | Very low | 52 Ų | 52 | 102.4 Ų | 102.4 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68 | -36.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q324 V325 D331 T332 | Q324-A328 VanDerWaalsContact O-CB 3.27Å; Q324-A328 WeakPolarHBondContact O-CB 3.38Å; Q324-A328 PolarHBondContact O-N 2.76Å; V325-A328 PolarHBondContact O-N 3.05Å; A328-D331 PolarHBondContact O-N 3.07Å; A328-T332 PolarHBondContact O-N 3.33Å; A328-T332 PolarHBondContact O-OG1 3.23Å |
| 329 | S | 38 | Very low | 43.1 | Very low | 73 Ų | 73 | 105 Ų | 105 | 51% | 0.51 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.3 | -40.7 | 175.4 | -65.9 | 0 | 0 | 0 | 0 | 111.9 | V325 L326 T332 | V325-S329 PolarHBondContact O-N 3.1Å; V325-S329 PolarHBondContact O-OG 3.37Å; L326-S329 PolarHBondContact O-N 2.84Å; S329-T332 PolarHBondContact O-N 3Å |
| 330 | I | 46.3 | Very low | 44 | Very low | 104 Ų | 104 | 110.9 Ų | 110.9 | 53% | 0.533 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.6 | -38.4 | 173.5 | -66 | 166 | 0 | 0 | 0 | 111.1 | L326 K327 T332 T333 V334 | L326-I330 WeakPolarHBondContact O-CB 3.23Å; L326-I330 WeakPolarHBondContact O-CD1 3.49Å; L326-I330 VanDerWaalsContact O-CG1 3.24Å; L326-I330 WeakPolarHBondContact O-CG1 3.09Å; L326-I330 PolarHBondContact O-N 3.46Å; K327-I330 PolarHBondContact O-N 3.17Å; I330-T332 PolarHBondContact O-N 3.19Å; I330-T333 PolarHBondContact O-N 3.31Å; I330-V334 HydrophobicContact CG2-CG2 4.2Å; I330-V334 WeakPolarHBondContact O-CB 3.35Å; I330-V334 WeakPolarHBondContact O-CG2 3.35Å; I330-V334 PolarHBondContact O-N 3.2Å |
| 331 | D | 37.4 | Very low | 45.5 | Very low | 78 Ų | 78 | 113.3 Ų | 113.3 | 42% | 0.417 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.9 | -14.3 | 175.4 | -77.9 | -31 | 0 | 0 | 0 | 113.2 | K327 A328 | K327-D331 WeakPolarHBondContact O-CB 3.24Å; K327-D331 VanDerWaalsContact O-CG 3.24Å; K327-D331 PolarHBondContact O-N 3Å; A328-D331 PolarHBondContact O-N 3.07Å |
| 332 | T | 41.9 | Very low | 47.5 | Very low | 121 Ų | 121 | 119 Ų | 119 | 74% | 0.742 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -89.5 | -32 | 179.6 | -56.8 | 0 | 0 | 0 | 0 | 112.9 | A328 S329 I330 | A328-T332 PolarHBondContact O-N 3.33Å; A328-T332 PolarHBondContact O-OG1 3.23Å; S329-T332 PolarHBondContact O-N 3Å; I330-T332 PolarHBondContact O-N 3.19Å |
| 333 | T | 42.4 | Very low | 49.5 | Very low | 110 Ų | 110 | 118.7 Ų | 118.7 | 68% | 0.675 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -92.4 | -14 | 172.7 | 53.7 | 0 | 0 | 0 | 0 | 113.2 | I330 | I330-T333 PolarHBondContact O-N 3.31Å |
| 334 | V | 42.8 | Very low | 51.7 | Low | 69 Ų | 69 | 119.8 Ų | 119.8 | 42% | 0.418 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -115.7 | 77.5 | -177.2 | -170.9 | 0 | 0 | 0 | 0 | 112.5 | I330 P336 | I330-V334 HydrophobicContact CG2-CG2 4.2Å; I330-V334 WeakPolarHBondContact O-CB 3.35Å; I330-V334 WeakPolarHBondContact O-CG2 3.35Å; I330-V334 PolarHBondContact O-N 3.2Å; V334-P336 VanDerWaalsContact O-N 3.1Å |
| 335 | C | 41.3 | Very low | 53.9 | Low | 57 Ų | 57 | 115.8 Ų | 115.8 | 39% | 0.385 | 56% | 0.564 | S | S | . | * | trans | 14.5 | 81.5 | 163.6 | -90.4 | 0 | 0 | 0 | 0 | 115.8 | R337 R338 | C335-R337 PolarHBondContact O-N 3.07Å; C335-R338 HydrophobicContact CB-CG 4.46Å; C335-R338 WeakPolarHBondContact O-CG 3.45Å; C335-R338 PolarHBondContact O-N 2.8Å | ||
| 336 | P | 37.9 | Very low | 56.1 | Low | 46 Ų | 46 | 117.2 Ų | 117.2 | 30% | 0.299 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.5 | 134.2 | -171.1 | 22.4 | -30.2 | 0 | 0 | 0 | 111.5 | N187 V334 | N187-P336 WeakPolarHBondContact OD1-CG 3.46Å; V334-P336 VanDerWaalsContact O-N 3.1Å |
| 337 | R | 48.9 | Very low | 58.3 | Low | 222 Ų | 222 | 113.6 Ų | 113.6 | 84% | 0.838 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.1 | 52.1 | -170 | -49.5 | -173.9 | -169.8 | -128.8 | 3.6 | 115.7 | C335 R339 | C335-R337 PolarHBondContact O-N 3.07Å; R337-R339 PolarHBondContact O-N 3.45Å |
| 338 | R | 49.2 | Very low | 60.7 | Low | 187 Ų | 187 | 115 Ų | 115 | 71% | 0.706 | 56% | 0.561 | S | S | * | * | trans | -50.2 | 127.2 | 159 | -57.1 | 177.8 | 85 | 178.2 | 10.3 | 109.8 | C335 | C335-R338 HydrophobicContact CB-CG 4.46Å; C335-R338 WeakPolarHBondContact O-CG 3.45Å; C335-R338 PolarHBondContact O-N 2.8Å | ||
| 339 | R | 57.7 | Low | 63.2 | Low | 135 Ų | 135 | 114.8 Ų | 114.8 | 51% | 0.509 | 55% | 0.551 | S | S | . | * | trans | -57.6 | 149.8 | 170.7 | -61.5 | -174.2 | -161.8 | 73.5 | 11.9 | 109.7 | A189 F190 R337 R341 | A189-R339 PolarHBondContact O-NH1 3.35Å; A189-R339 PolarHBondContact O-NH2 3.34Å; F190-R339 VanDerWaalsContact CD1-NH2 3.29Å; R337-R339 PolarHBondContact O-N 3.45Å; R339-R341 PolarHBondContact O-N 3.3Å; R339-R341 VanDerWaalsContact O-N 3.11Å | ||
| 340 | K | 63.9 | Low | 65.9 | Low | 167 Ų | 167 | 117 Ų | 117 | 73% | 0.726 | 55% | 0.549 | S | S | * | . | trans | -46 | 122.8 | 171.9 | -176.1 | 172.7 | 178.6 | 178.1 | 0 | 108.4 | R342 D378 | K340-R342 PolarHBondContact O-N 2.86Å; K340-D378 IonicContact NZ-OD2 2.62Å; K340-D378 PolarHBondContact NZ-OD2 2.84Å | ||
| 341 | R | 69.3 | Low | 68.2 | Low | 210 Ų | 210 | 117.1 Ų | 117.1 | 79% | 0.792 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 138.5 | 179.9 | -69.8 | -172.3 | 78.3 | -144.8 | 6.9 | 108.5 | R339 T343 | R339-R341 PolarHBondContact O-N 3.3Å; R339-R341 VanDerWaalsContact O-N 3.11Å; R341-T343 PolarHBondContact O-N 3.4Å |
| 342 | R | 78.4 | Confident | 70.9 | Confident | 239 Ų | 239 | 117.3 Ų | 117.3 | 90% | 0.902 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 128.1 | 175 | -179 | 176.7 | -179 | 178.5 | -0.1 | 108.6 | K340 N344 | K340-R342 PolarHBondContact O-N 2.86Å; R342-N344 PolarHBondContact O-N 2.64Å |
| 343 | T | 86.7 | Confident | 73.4 | Confident | 60 Ų | 60 | 111.6 Ų | 111.6 | 37% | 0.368 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 127.8 | 168.2 | 46.7 | 0 | 0 | 0 | 0 | 109.3 | R341 V381 | R341-T343 PolarHBondContact O-N 3.4Å; T343-V381 HydrophobicContact CG2-CG2 4.04Å |
| 344 | N | 89.4 | Confident | 75.9 | Confident | 141 Ų | 141 | 108.7 Ų | 108.7 | 75% | 0.754 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -88.5 | 135.7 | 168.5 | -166.4 | 11.4 | 0 | 0 | 0 | 107.9 | R342 | R342-N344 PolarHBondContact O-N 2.64Š|
| 345 | I | 89.3 | Confident | 78.4 | Confident | 22 Ų | 22 | 107.6 Ų | 107.6 | 11% | 0.113 | 50% | 0.496 | C | S | . | . | trans | -109.6 | 113.4 | 179 | -60.5 | 169.6 | 0 | 0 | 0 | 106.5 | M349 R350 L353 V381 W385 | I345-M349 HydrophobicContact CG2-CB 3.79Å; I345-R350 HydrophobicContact CG2-CB 4.24Å; I345-R350 PolarHBondContact O-NH2 3.31Å; I345-L353 HydrophobicContact CG2-CD1 4.23Å; I345-V381 HydrophobicContact CD1-CG1 4.03Å; I345-V381 HydrophobicContact CG1-CG1 4.46Å; I345-W385 HydrophobicContact CD1-CG 4.35Å | ||
| 346 | E | 90.8 | Very high | 80.9 | Confident | 119 Ų | 119 | 107 Ų | 107 | 56% | 0.556 | 49% | 0.488 | S | S | * | . | trans | -58 | 160.8 | -179.2 | -61.2 | -172.9 | 176.9 | 0 | 0 | 112 | M349 R350 | E346-M349 HydrophobicContact CB-CG 4.23Å; E346-M349 HydrophobicContact CB-SD 4.02Å; E346-M349 HydrophobicContact CG-CE 4.29Å; E346-M349 HydrophobicContact CG-SD 4.14Å; E346-M349 PolarHBondContact O-N 3.07Å; E346-R350 WeakPolarHBondContact O-CB 3.25Å; E346-R350 PolarHBondContact O-N 3.26Å | ||
| 347 | G | 91.2 | Very high | 83.6 | Confident | 37 Ų | 37 | 105 Ų | 105 | 38% | 0.381 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -52.8 | -60.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M349 R350 D351 | G347-M349 VanDerWaalsContact C-N 3.29Å; G347-M349 PolarHBondContact O-N 3.12Å; G347-R350 CarbonylContact O-C 3.6Å; G347-R350 WeakPolarHBondContact O-CA 3.46Å; G347-R350 VanDerWaalsContact O-CB 3.27Å; G347-R350 WeakPolarHBondContact O-CB 3.43Å; G347-R350 PolarHBondContact O-N 2.97Å; G347-D351 PolarHBondContact O-N 2.84Å; G347-D351 VanDerWaalsContact O-OD2 3.07Å |
| 348 | K | 92.1 | Very high | 85.6 | Confident | 167 Ų | 167 | 100.6 Ų | 100.6 | 73% | 0.726 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -52.3 | -43.4 | -179.8 | -60.7 | -179.4 | -179.7 | 179 | 0 | 113.4 | D351 I352 | K348-D351 PolarHBondContact O-N 3.13Å; K348-I352 WeakPolarHBondContact O-CG1 3.34Å; K348-I352 PolarHBondContact O-N 3.06Å |
| 349 | M | 92.7 | Very high | 87.6 | Confident | 46 Ų | 46 | 95.8 Ų | 95.8 | 23% | 0.227 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -66.1 | -38.4 | 178.4 | -62.3 | 172 | -178.5 | 0 | 0 | 111.8 | I345 E346 G347 L353 L375 L377 | I345-M349 HydrophobicContact CG2-CB 3.79Å; E346-M349 HydrophobicContact CB-CG 4.23Å; E346-M349 HydrophobicContact CB-SD 4.02Å; E346-M349 HydrophobicContact CG-CE 4.29Å; E346-M349 HydrophobicContact CG-SD 4.14Å; E346-M349 PolarHBondContact O-N 3.07Å; G347-M349 VanDerWaalsContact C-N 3.29Å; G347-M349 PolarHBondContact O-N 3.12Å; M349-L353 VanDerWaalsContact O-CG 3.31Å; M349-L353 WeakPolarHBondContact O-CG 3.4Å; M349-L353 PolarHBondContact O-N 3.37Å; M349-L353 VanDerWaalsContact O-N 3.15Å; M349-L375 HydrophobicContact CB-CD2 4.23Å; M349-L375 HydrophobicContact CG-CD2 4.31Å; M349-L377 HydrophobicContact SD-CD2 4.42Å |
| 350 | R | 93.9 | Very high | 89.2 | Confident | 121 Ų | 121 | 92.1 Ų | 92.1 | 46% | 0.457 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.7 | -38.5 | 176.2 | -173.2 | -170 | -50.9 | 155.1 | 11.5 | 111.7 | I345 E346 G347 L353 E354 | I345-R350 HydrophobicContact CG2-CB 4.24Å; I345-R350 PolarHBondContact O-NH2 3.31Å; E346-R350 WeakPolarHBondContact O-CB 3.25Å; E346-R350 PolarHBondContact O-N 3.26Å; G347-R350 CarbonylContact O-C 3.6Å; G347-R350 WeakPolarHBondContact O-CA 3.46Å; G347-R350 VanDerWaalsContact O-CB 3.27Å; G347-R350 WeakPolarHBondContact O-CB 3.43Å; G347-R350 PolarHBondContact O-N 2.97Å; R350-L353 PolarHBondContact O-N 3.25Å; R350-E354 WeakPolarHBondContact O-CB 3.41Å; R350-E354 PolarHBondContact O-N 3.23Å |
| 351 | D | 94.5 | Very high | 90.4 | Very high | 105 Ų | 105 | 86.9 Ų | 86.9 | 56% | 0.561 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.3 | -40.9 | -179.5 | -55.1 | -32.4 | 0 | 0 | 0 | 110.8 | G347 K348 E354 G355 | G347-D351 PolarHBondContact O-N 2.84Å; G347-D351 VanDerWaalsContact O-OD2 3.07Å; K348-D351 PolarHBondContact O-N 3.13Å; D351-E354 PolarHBondContact O-N 2.92Å; D351-G355 PolarHBondContact O-N 3.26Å |
| 352 | I | 94.4 | Very high | 91.5 | Very high | 83 Ų | 83 | 84.9 Ų | 84.9 | 43% | 0.426 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 171.9 | -64.5 | 164.1 | 0 | 0 | 0 | 111 | K348 E354 G355 E356 L375 | K348-I352 WeakPolarHBondContact O-CG1 3.34Å; K348-I352 PolarHBondContact O-N 3.06Å; I352-E354 VanDerWaalsContact C-N 3.31Å; I352-E354 PolarHBondContact O-N 2.82Å; I352-G355 PolarHBondContact O-N 3.27Å; I352-E356 WeakPolarHBondContact O-CG 3.38Å; I352-E356 PolarHBondContact O-N 2.84Å; I352-L375 HydrophobicContact CB-CD2 4.17Å; I352-L375 HydrophobicContact CD1-CD2 3.72Å; I352-L375 HydrophobicContact CG2-CD2 4.11Å |
| 353 | L | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63 | -35.6 | 178.3 | -72.3 | 170.4 | 0 | 0 | 0 | 112.8 | I345 M349 R350 F357 L375 V382 W385 F386 | I345-L353 HydrophobicContact CG2-CD1 4.23Å; M349-L353 VanDerWaalsContact O-CG 3.31Å; M349-L353 WeakPolarHBondContact O-CG 3.4Å; M349-L353 PolarHBondContact O-N 3.37Å; M349-L353 VanDerWaalsContact O-N 3.15Å; R350-L353 PolarHBondContact O-N 3.25Å; L353-F357 WeakPolarHBondContact O-CB 3.36Å; L353-F357 PolarHBondContact O-N 2.95Å; L353-L375 HydrophobicContact CD1-CD1 4.08Å; L353-L375 HydrophobicContact CD2-CD1 3.59Å; L353-L375 HydrophobicContact CG-CD1 3.61Å; L353-V382 HydrophobicContact CD2-CG1 3.88Å; L353-W385 VanDerWaalsContact C-CH2 3.44Å; L353-W385 HydrophobicContact CB-CD2 4.01Å; L353-W385 HydrophobicContact CB-CE3 3.93Å; L353-W385 HydrophobicContact CB-CH2 3.75Å; L353-W385 HydrophobicContact CB-CZ2 3.77Å; L353-W385 HydrophobicContact CB-CZ3 3.81Å; L353-W385 HydrophobicContact CD1-CD2 3.95Å; L353-W385 HydrophobicContact CD1-CE3 4.43Å; L353-W385 HydrophobicContact CD1-CG 3.99Å; L353-W385 HydrophobicContact CD2-CE3 4.39Å; L353-W385 HydrophobicContact CG-CD2 4.45Å; L353-W385 HydrophobicContact CG-CE3 4.49Å; L353-W385 VanDerWaalsContact O-CH2 3.27Å; L353-W385 WeakPolarHBondContact O-CH2 3.37Å; L353-W385 WeakPolarHBondContact O-CZ3 3.29Å; L353-F386 HydrophobicContact CD2-CE2 3.9Å |
| 354 | E | 95.3 | Very high | 92.4 | Very high | 50 Ų | 50 | 77.5 Ų | 77.5 | 23% | 0.234 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -71.5 | -40.7 | 175.7 | -168 | 66.1 | -151.6 | 0 | 0 | 111.3 | R350 D351 I352 E356 F357 Q358 R389 | R350-E354 WeakPolarHBondContact O-CB 3.41Å; R350-E354 PolarHBondContact O-N 3.23Å; D351-E354 PolarHBondContact O-N 2.92Å; I352-E354 VanDerWaalsContact C-N 3.31Å; I352-E354 PolarHBondContact O-N 2.82Å; E354-E356 PolarHBondContact O-N 3.45Å; E354-F357 WeakPolarHBondContact O-CB 3.37Å; E354-F357 PolarHBondContact O-N 3.4Å; E354-F357 VanDerWaalsContact O-N 3.1Å; E354-Q358 WeakPolarHBondContact O-CG 3.34Å; E354-Q358 PolarHBondContact O-N 3.15Å; E354-Q358 PolarHBondContact OE1-NE2 3.45Å; E354-R389 VanDerWaalsContact CD-NE 3.32Å; E354-R389 IonicContact OE1-CZ 2.68Å; E354-R389 VanDerWaalsContact OE1-CZ 3.29Å; E354-R389 IonicContact OE1-NE 3.48Å; E354-R389 PolarHBondContact OE1-NE 2.88Å; E354-R389 IonicContact OE1-NH2 3.82Å; E354-R389 PolarHBondContact OE1-NH2 3.41Å; E354-R389 WeakPolarHBondContact OE2-CD 3.32Å; E354-R389 IonicContact OE2-CZ 2.81Å; E354-R389 IonicContact OE2-NE 2.87Å; E354-R389 PolarHBondContact OE2-NE 3.26Å; E354-R389 IonicContact OE2-NH2 3.99Å |
| 355 | G | 94.4 | Very high | 92.6 | Very high | 45 Ų | 45 | 73.8 Ų | 73.8 | 46% | 0.464 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D351 I352 F357 Q358 A359 | D351-G355 PolarHBondContact O-N 3.26Å; I352-G355 PolarHBondContact O-N 3.27Å; G355-F357 VanDerWaalsContact C-N 3.32Å; G355-F357 PolarHBondContact O-N 3.26Å; G355-Q358 PolarHBondContact O-N 3.12Å; G355-A359 PolarHBondContact O-N 3.01Å; G355-A359 VanDerWaalsContact O-N 3.12Å |
| 356 | E | 93.4 | Very high | 92.8 | Very high | 44 Ų | 44 | 75.8 Ų | 75.8 | 21% | 0.206 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.4 | -34.1 | 173.6 | -69.9 | -76.7 | 132.1 | 0 | 0 | 112.7 | I352 E354 A359 C360 R367 L371 F386 | I352-E356 WeakPolarHBondContact O-CG 3.38Å; I352-E356 PolarHBondContact O-N 2.84Å; E354-E356 PolarHBondContact O-N 3.45Å; E356-A359 PolarHBondContact O-N 3.1Å; E356-C360 CarbonylContact O-C 3.57Å; E356-C360 PolarHBondContact O-N 3.29Å; E356-R367 IonicContact OE1-CZ 2.82Å; E356-R367 IonicContact OE1-NE 3.88Å; E356-R367 IonicContact OE1-NH2 3.35Å; E356-R367 PolarHBondContact OE1-NH2 3.45Å; E356-R367 IonicContact OE2-CZ 2.72Å; E356-R367 IonicContact OE2-NE 3.29Å; E356-R367 PolarHBondContact OE2-NE 3.05Å; E356-R367 IonicContact OE2-NH2 3Å; E356-R367 PolarHBondContact OE2-NH2 2.63Å; E356-R367 VanDerWaalsContact OE2-NH2 3.13Å; E356-L371 HydrophobicContact CB-CD1 4.13Å; E356-L371 HydrophobicContact CG-CD1 3.9Å; E356-L371 HydrophobicContact CG-CD2 3.69Å; E356-L371 HydrophobicContact CG-CG 4.44Å; E356-F386 HydrophobicContact CB-CZ 4.04Å |
| 357 | F | 94.5 | Very high | 93 | Very high | 4 Ų | 4 | 73.8 Ų | 73.8 | 2% | 0.018 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 175.8 | -174.4 | -93.6 | 0 | 0 | 0 | 112.5 | L353 E354 G355 C360 N361 W385 F386 R389 R390 E393 | L353-F357 WeakPolarHBondContact O-CB 3.36Å; L353-F357 PolarHBondContact O-N 2.95Å; E354-F357 WeakPolarHBondContact O-CB 3.37Å; E354-F357 PolarHBondContact O-N 3.4Å; E354-F357 VanDerWaalsContact O-N 3.1Å; G355-F357 VanDerWaalsContact C-N 3.32Å; G355-F357 PolarHBondContact O-N 3.26Å; F357-C360 CarbonylContact O-C 3.3Å; F357-C360 VanDerWaalsContact O-C 3.3Å; F357-N361 HydrophobicContact CD2-CB 4.32Å; F357-N361 HydrophobicContact CE1-CB 4.34Å; F357-N361 HydrophobicContact CE2-CB 3.82Å; F357-N361 HydrophobicContact CZ-CB 3.82Å; F357-N361 PolarHBondContact O-N 2.95Å; F357-W385 HydrophobicContact CB-CH2 3.99Å; F357-W385 HydrophobicContact CB-CZ3 4.01Å; F357-W385 HydrophobicContact CD2-CZ3 4.22Å; F357-W385 HydrophobicContact CG-CH2 4.45Å; F357-W385 HydrophobicContact CG-CZ3 4.42Å; F357-F386 HydrophobicContact CB-CE1 4.17Å; F357-F386 AromaticContact CD2-CD1 3.82Å; F357-F386 HydrophobicContact CD2-CD1 3.82Å; F357-F386 HydrophobicContact CD2-CE1 4.06Å; F357-R389 HydrophobicContact CD1-CG 3.84Å; F357-R389 HydrophobicContact CD2-CB 4.01Å; F357-R389 HydrophobicContact CD2-CG 3.51Å; F357-R389 HydrophobicContact CE1-CG 3.84Å; F357-R389 HydrophobicContact CE2-CB 3.89Å; F357-R389 HydrophobicContact CE2-CG 3.5Å; F357-R389 HydrophobicContact CG-CG 3.69Å; F357-R389 HydrophobicContact CZ-CB 4.42Å; F357-R389 HydrophobicContact CZ-CG 3.69Å; F357-R390 HydrophobicContact CE2-CG 3.69Å; F357-R390 HydrophobicContact CZ-CG 4.07Å; F357-E393 WeakPolarHBondContact CE1-OE1 3.36Å |
| 358 | Q | 91.6 | Very high | 93.1 | Very high | 131 Ų | 131 | 72.9 Ų | 72.9 | 61% | 0.612 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -68.1 | -37 | 175.8 | -60.9 | -56.6 | -33.6 | 0 | 0 | 111.8 | E354 G355 | E354-Q358 WeakPolarHBondContact O-CG 3.34Å; E354-Q358 PolarHBondContact O-N 3.15Å; E354-Q358 PolarHBondContact OE1-NE2 3.45Å; G355-Q358 PolarHBondContact O-N 3.12Å |
| 359 | A | 92 | Very high | 93.3 | Very high | 86 Ų | 86 | 67.4 Ų | 67.4 | 71% | 0.711 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -70.7 | -41.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G355 E356 | G355-A359 PolarHBondContact O-N 3.01Å; G355-A359 VanDerWaalsContact O-N 3.12Å; E356-A359 PolarHBondContact O-N 3.1Å |
| 360 | C | 89.6 | Confident | 93.4 | Very high | 58 Ų | 58 | 69.7 Ų | 69.7 | 39% | 0.392 | 37% | 0.366 | S | S | . | . | trans | -153.2 | 106.9 | 177.3 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | E356 F357 R362 P363 | E356-C360 CarbonylContact O-C 3.57Å; E356-C360 PolarHBondContact O-N 3.29Å; F357-C360 CarbonylContact O-C 3.3Å; F357-C360 VanDerWaalsContact O-C 3.3Å; C360-R362 PolarHBondContact O-N 3.41Å; C360-R362 VanDerWaalsContact O-N 3.11Å; C360-R362 VanDerWaalsContact SG-C 3.53Å; C360-R362 PolarHBondContact SG-O 3.39Å; C360-P363 WeakPolarHBondContact O-CD 3.27Å | ||
| 361 | N | 90.2 | Very high | 93.5 | Very high | 56 Ų | 56 | 64 Ų | 64 | 30% | 0.299 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -68.3 | -11 | 179.5 | 69.2 | 17.3 | 0 | 0 | 0 | 114.4 | F357 R390 | F357-N361 HydrophobicContact CD2-CB 4.32Å; F357-N361 HydrophobicContact CE1-CB 4.34Å; F357-N361 HydrophobicContact CE2-CB 3.82Å; F357-N361 HydrophobicContact CZ-CB 3.82Å; F357-N361 PolarHBondContact O-N 2.95Å; N361-R390 WeakPolarHBondContact O-CD 3.29Å; N361-R390 PolarHBondContact O-NH1 3.47Å |
| 362 | R | 91.7 | Very high | 93.5 | Very high | 169 Ų | 169 | 59.2 Ų | 59.2 | 64% | 0.638 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -136.2 | 69.5 | 177.8 | -70.5 | -176.6 | -175.9 | -141.2 | 7.8 | 110.8 | C360 | C360-R362 PolarHBondContact O-N 3.41Å; C360-R362 VanDerWaalsContact O-N 3.11Å; C360-R362 VanDerWaalsContact SG-C 3.53Å; C360-R362 PolarHBondContact SG-O 3.39Å |
| 363 | P | 92.2 | Very high | 93.6 | Very high | 17 Ų | 17 | 61.4 Ų | 61.4 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | trans | -60.9 | 143.4 | -180 | 28.6 | -37.4 | 0 | 0 | 0 | 111.5 | C360 R367 L368 F386 | C360-P363 WeakPolarHBondContact O-CD 3.27Å; P363-R367 HydrophobicContact CB-CB 4.12Å; P363-R367 HydrophobicContact CB-CG 4.09Å; P363-L368 HydrophobicContact CB-CD2 4.47Å; P363-L368 HydrophobicContact CB-CG 4.47Å; P363-L368 HydrophobicContact CG-CD2 3.58Å; P363-L368 HydrophobicContact CG-CG 3.97Å; P363-F386 HydrophobicContact CG-CD1 3.79Å; P363-F386 HydrophobicContact CG-CD2 4.15Å; P363-F386 HydrophobicContact CG-CE1 3.65Å; P363-F386 HydrophobicContact CG-CE2 4.04Å; P363-F386 HydrophobicContact CG-CG 4.06Å; P363-F386 HydrophobicContact CG-CZ 3.81Å | ||
| 364 | H | 91.6 | Very high | 93.5 | Very high | 126 Ų | 126 | 67.4 Ų | 67.4 | 58% | 0.583 | 36% | 0.36 | S | S | * | . | trans | -58.3 | 148.5 | 173.7 | -170.7 | -101.4 | 0 | 0 | 0 | 110.7 | S366 R367 L368 | H364-S366 PolarHBondContact CE1-OG 2.92Å; H364-S366 VanDerWaalsContact CE1-OG 3.31Å; H364-S366 PolarHBondContact ND1-N 3.38Å; H364-S366 PolarHBondContact ND1-OG 2.92Å; H364-S366 PolarHBondContact O-N 2.85Å; H364-S366 VanDerWaalsContact O-N 3.13Å; H364-R367 WeakPolarHBondContact O-CA 3.4Å; H364-R367 WeakPolarHBondContact O-CB 3.44Å; H364-R367 PolarHBondContact O-N 3.23Å; H364-L368 PolarHBondContact O-N 3.06Å; H364-L368 VanDerWaalsContact O-N 3.12Å | ||
| 365 | P | 93.2 | Very high | 93.4 | Very high | 64 Ų | 64 | 65.5 Ų | 65.5 | 42% | 0.416 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -47.6 | -43.4 | 177.6 | -32.6 | 37.7 | 0 | 0 | 0 | 114.3 | R367 L368 D369 | P365-R367 VanDerWaalsContact C-N 3.27Å; P365-R367 PolarHBondContact O-N 2.99Å; P365-L368 WeakPolarHBondContact O-CA 3.3Å; P365-L368 WeakPolarHBondContact O-CB 3.33Å; P365-L368 PolarHBondContact O-N 3.1Å; P365-L368 VanDerWaalsContact O-N 3.07Å; P365-D369 PolarHBondContact O-N 3.18Å |
| 366 | S | 94.5 | Very high | 93.4 | Very high | 64 Ų | 64 | 69 Ų | 69 | 45% | 0.448 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.2 | -31.6 | 176.3 | -39.9 | 0 | 0 | 0 | 0 | 113.9 | H364 Q370 | H364-S366 PolarHBondContact CE1-OG 2.92Å; H364-S366 VanDerWaalsContact CE1-OG 3.31Å; H364-S366 PolarHBondContact ND1-N 3.38Å; H364-S366 PolarHBondContact ND1-OG 2.92Å; H364-S366 PolarHBondContact O-N 2.85Å; H364-S366 VanDerWaalsContact O-N 3.13Å; S366-Q370 WeakPolarHBondContact O-CG 3.36Å; S366-Q370 PolarHBondContact O-N 3.35Å; S366-Q370 VanDerWaalsContact O-N 3.1Å |
| 367 | R | 93.9 | Very high | 93.4 | Very high | 76 Ų | 76 | 68.3 Ų | 68.3 | 29% | 0.287 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -76.2 | -36.1 | 174.8 | -175.8 | 57.6 | 176 | 177.7 | 0 | 111.3 | E356 P363 H364 P365 D369 Q370 L371 | E356-R367 IonicContact OE1-CZ 2.82Å; E356-R367 IonicContact OE1-NE 3.88Å; E356-R367 IonicContact OE1-NH2 3.35Å; E356-R367 PolarHBondContact OE1-NH2 3.45Å; E356-R367 IonicContact OE2-CZ 2.72Å; E356-R367 IonicContact OE2-NE 3.29Å; E356-R367 PolarHBondContact OE2-NE 3.05Å; E356-R367 IonicContact OE2-NH2 3Å; E356-R367 PolarHBondContact OE2-NH2 2.63Å; E356-R367 VanDerWaalsContact OE2-NH2 3.13Å; P363-R367 HydrophobicContact CB-CB 4.12Å; P363-R367 HydrophobicContact CB-CG 4.09Å; H364-R367 WeakPolarHBondContact O-CA 3.4Å; H364-R367 WeakPolarHBondContact O-CB 3.44Å; H364-R367 PolarHBondContact O-N 3.23Å; P365-R367 VanDerWaalsContact C-N 3.27Å; P365-R367 PolarHBondContact O-N 2.99Å; R367-D369 VanDerWaalsContact C-N 3.26Å; R367-D369 PolarHBondContact O-N 3.17Å; R367-Q370 VanDerWaalsContact CD-OE1 3.26Å; R367-Q370 PolarHBondContact O-N 3.29Å; R367-L371 HydrophobicContact CG-CD1 4.32Å; R367-L371 VanDerWaalsContact O-CG 3.32Å; R367-L371 WeakPolarHBondContact O-CG 3.31Å; R367-L371 PolarHBondContact O-N 2.91Å |
| 368 | L | 94.9 | Very high | 93.3 | Very high | 19 Ų | 19 | 72.1 Ų | 72.1 | 10% | 0.099 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.8 | -38.9 | 170.1 | -66.8 | 171.2 | 0 | 0 | 0 | 111.6 | P363 H364 P365 L371 A372 V382 R383 F386 | P363-L368 HydrophobicContact CB-CD2 4.47Å; P363-L368 HydrophobicContact CB-CG 4.47Å; P363-L368 HydrophobicContact CG-CD2 3.58Å; P363-L368 HydrophobicContact CG-CG 3.97Å; H364-L368 PolarHBondContact O-N 3.06Å; H364-L368 VanDerWaalsContact O-N 3.12Å; P365-L368 WeakPolarHBondContact O-CA 3.3Å; P365-L368 WeakPolarHBondContact O-CB 3.33Å; P365-L368 PolarHBondContact O-N 3.1Å; P365-L368 VanDerWaalsContact O-N 3.07Å; L368-L371 PolarHBondContact O-N 2.84Å; L368-A372 VanDerWaalsContact O-CB 3.29Å; L368-A372 WeakPolarHBondContact O-CB 3.12Å; L368-A372 PolarHBondContact O-N 2.84Å; L368-V382 HydrophobicContact CD2-CG1 3.8Å; L368-R383 HydrophobicContact CD1-CB 4.29Å; L368-R383 HydrophobicContact CD1-CG 4.12Å; L368-F386 HydrophobicContact CD2-CD2 3.61Å; L368-F386 HydrophobicContact CD2-CE2 3.93Å; L368-F386 HydrophobicContact CD2-CG 4.32Å |
| 369 | D | 95.7 | Very high | 93.4 | Very high | 51 Ų | 51 | 72.3 Ų | 72.3 | 27% | 0.273 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 176 | -69.5 | -49.1 | 0 | 0 | 0 | 112.1 | P365 R367 A372 N373 R379 | P365-D369 PolarHBondContact O-N 3.18Å; R367-D369 VanDerWaalsContact C-N 3.26Å; R367-D369 PolarHBondContact O-N 3.17Å; D369-A372 PolarHBondContact O-N 3.02Å; D369-N373 PolarHBondContact O-N 3.39Å; D369-N373 VanDerWaalsContact O-N 3.13Å; D369-N373 PolarHBondContact O-ND2 3.1Å; D369-R379 WeakPolarHBondContact OD1-CD 3.31Å; D369-R379 VanDerWaalsContact OD1-CG 3.29Å; D369-R379 WeakPolarHBondContact OD1-CG 3.34Å; D369-R379 IonicContact OD1-CZ 3.17Å; D369-R379 IonicContact OD1-NE 3.79Å; D369-R379 PolarHBondContact OD1-NE 2.99Å; D369-R379 IonicContact OD1-NH2 3.15Å; D369-R379 IonicContact OD2-CZ 3.66Å; D369-R379 IonicContact OD2-NE 2.68Å; D369-R379 PolarHBondContact OD2-NE 3.46Å; D369-R379 IonicContact OD2-NH2 2.61Å; D369-R379 PolarHBondContact OD2-NH2 2.99Å |
| 370 | Q | 95.5 | Very high | 93.5 | Very high | 95 Ų | 95 | 73 Ų | 73 | 44% | 0.444 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 172.7 | -71.6 | 169.6 | 4.2 | 0 | 0 | 112.3 | S366 R367 N373 Q374 | S366-Q370 WeakPolarHBondContact O-CG 3.36Å; S366-Q370 PolarHBondContact O-N 3.35Å; S366-Q370 VanDerWaalsContact O-N 3.1Å; R367-Q370 VanDerWaalsContact CD-OE1 3.26Å; R367-Q370 PolarHBondContact O-N 3.29Å; Q370-N373 PolarHBondContact O-N 2.92Å; Q370-Q374 WeakPolarHBondContact O-CB 3.49Å; Q370-Q374 WeakPolarHBondContact O-CG 3.46Å; Q370-Q374 PolarHBondContact O-N 3.38Å |
| 371 | L | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.8 | -36.5 | 179.5 | -68.3 | 173.7 | 0 | 0 | 0 | 112.4 | E356 R367 L368 Q374 L375 V382 F386 | E356-L371 HydrophobicContact CB-CD1 4.13Å; E356-L371 HydrophobicContact CG-CD1 3.9Å; E356-L371 HydrophobicContact CG-CD2 3.69Å; E356-L371 HydrophobicContact CG-CG 4.44Å; R367-L371 HydrophobicContact CG-CD1 4.32Å; R367-L371 VanDerWaalsContact O-CG 3.32Å; R367-L371 WeakPolarHBondContact O-CG 3.31Å; R367-L371 PolarHBondContact O-N 2.91Å; L368-L371 PolarHBondContact O-N 2.84Å; L371-Q374 PolarHBondContact O-N 3.45Å; L371-L375 VanDerWaalsContact O-CB 3.29Å; L371-L375 WeakPolarHBondContact O-CB 3.43Å; L371-L375 VanDerWaalsContact O-CG 3.26Å; L371-L375 WeakPolarHBondContact O-CG 3.46Å; L371-L375 PolarHBondContact O-N 3.48Å; L371-V382 HydrophobicContact CB-CG1 4.21Å; L371-F386 HydrophobicContact CD1-CE2 4.03Å; L371-F386 HydrophobicContact CD1-CZ 4.11Å |
| 372 | A | 95.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 68.5 Ų | 68.5 | 4% | 0.041 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L368 D369 C376 L377 R379 V382 | L368-A372 VanDerWaalsContact O-CB 3.29Å; L368-A372 WeakPolarHBondContact O-CB 3.12Å; L368-A372 PolarHBondContact O-N 2.84Å; D369-A372 PolarHBondContact O-N 3.02Å; A372-C376 PolarHBondContact O-N 3.13Å; A372-L377 WeakPolarHBondContact CB-O 3.42Å; A372-L377 PolarHBondContact O-N 3.42Å; A372-R379 HydrophobicContact CB-CB 4.32Å; A372-V382 HydrophobicContact CB-CG2 4.1Å |
| 373 | N | 95 | Very high | 94.1 | Very high | 130 Ų | 130 | 65.2 Ų | 65.2 | 70% | 0.695 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.5 | -42.2 | 177.1 | -67.3 | -19.4 | 0 | 0 | 0 | 112.5 | D369 Q370 L375 C376 | D369-N373 PolarHBondContact O-N 3.39Å; D369-N373 VanDerWaalsContact O-N 3.13Å; D369-N373 PolarHBondContact O-ND2 3.1Å; Q370-N373 PolarHBondContact O-N 2.92Å; N373-L375 VanDerWaalsContact C-N 3.34Å; N373-L375 PolarHBondContact O-N 3.32Å; N373-C376 PolarHBondContact O-N 2.96Å |
| 374 | Q | 94.5 | Very high | 94.2 | Very high | 125 Ų | 125 | 66.8 Ų | 66.8 | 58% | 0.584 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -67 | -32 | 179.2 | -75 | 176.9 | -11.2 | 0 | 0 | 113.4 | Q370 L371 | Q370-Q374 WeakPolarHBondContact O-CB 3.49Å; Q370-Q374 WeakPolarHBondContact O-CG 3.46Å; Q370-Q374 PolarHBondContact O-N 3.38Å; L371-Q374 PolarHBondContact O-N 3.45Å |
| 375 | L | 93.4 | Very high | 94.4 | Very high | 11 Ų | 11 | 62.5 Ų | 62.5 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -97.9 | -1.4 | -178 | -61.1 | 173.8 | 0 | 0 | 0 | 113.5 | M349 I352 L353 L371 N373 L377 | M349-L375 HydrophobicContact CB-CD2 4.23Å; M349-L375 HydrophobicContact CG-CD2 4.31Å; I352-L375 HydrophobicContact CB-CD2 4.17Å; I352-L375 HydrophobicContact CD1-CD2 3.72Å; I352-L375 HydrophobicContact CG2-CD2 4.11Å; L353-L375 HydrophobicContact CD1-CD1 4.08Å; L353-L375 HydrophobicContact CD2-CD1 3.59Å; L353-L375 HydrophobicContact CG-CD1 3.61Å; L371-L375 VanDerWaalsContact O-CB 3.29Å; L371-L375 WeakPolarHBondContact O-CB 3.43Å; L371-L375 VanDerWaalsContact O-CG 3.26Å; L371-L375 WeakPolarHBondContact O-CG 3.46Å; L371-L375 PolarHBondContact O-N 3.48Å; N373-L375 VanDerWaalsContact C-N 3.34Å; N373-L375 PolarHBondContact O-N 3.32Å; L375-L377 VanDerWaalsContact C-N 3.28Å; L375-L377 HydrophobicContact CB-CB 4.49Å; L375-L377 HydrophobicContact CB-CD1 3.97Å; L375-L377 HydrophobicContact CB-CG 3.96Å; L375-L377 HydrophobicContact CD1-CD1 4.32Å; L375-L377 PolarHBondContact O-N 3.18Å |
| 376 | C | 93.7 | Very high | 94.6 | Very high | 117 Ų | 117 | 59.5 Ų | 59.5 | 79% | 0.791 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 42.3 | -171.9 | -61.5 | 0 | 0 | 0 | 0 | 113.1 | A372 N373 | A372-C376 PolarHBondContact O-N 3.13Å; N373-C376 PolarHBondContact O-N 2.96Å |
| 377 | L | 93.3 | Very high | 94.5 | Very high | 30 Ų | 30 | 58.2 Ų | 58.2 | 16% | 0.157 | 29% | 0.288 | C | S | . | . | trans | -114.8 | 149 | -179.3 | -66 | 178.7 | 0 | 0 | 0 | 111.8 | M349 A372 L375 R379 V382 | M349-L377 HydrophobicContact SD-CD2 4.42Å; A372-L377 WeakPolarHBondContact CB-O 3.42Å; A372-L377 PolarHBondContact O-N 3.42Å; L375-L377 VanDerWaalsContact C-N 3.28Å; L375-L377 HydrophobicContact CB-CB 4.49Å; L375-L377 HydrophobicContact CB-CD1 3.97Å; L375-L377 HydrophobicContact CB-CG 3.96Å; L375-L377 HydrophobicContact CD1-CD1 4.32Å; L375-L377 PolarHBondContact O-N 3.18Å; L377-R379 PolarHBondContact O-N 2.94Å; L377-V382 HydrophobicContact CB-CG2 4.03Å; L377-V382 HydrophobicContact CD1-CG2 4.37Å | ||
| 378 | D | 93.2 | Very high | 94.5 | Very high | 84 Ų | 84 | 58.7 Ų | 58.7 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | trans | -48 | 126.6 | 165.1 | -93.6 | -18.9 | 0 | 0 | 0 | 109.7 | K340 E380 V381 V382 | K340-D378 IonicContact NZ-OD2 2.62Å; K340-D378 PolarHBondContact NZ-OD2 2.84Å; D378-E380 PolarHBondContact O-N 3.07Å; D378-V381 HydrophobicContact CB-CB 4.03Å; D378-V381 HydrophobicContact CB-CG2 3.65Å; D378-V381 WeakPolarHBondContact O-CA 3.27Å; D378-V381 WeakPolarHBondContact O-CB 3.42Å; D378-V381 PolarHBondContact O-N 3.37Å; D378-V382 PolarHBondContact O-N 2.76Å | ||
| 379 | R | 92.8 | Very high | 94.5 | Very high | 135 Ų | 135 | 59.8 Ų | 59.8 | 51% | 0.509 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -44.8 | -42.6 | 172 | -177.2 | -160.8 | -161.5 | -158.1 | 14.4 | 112.8 | D369 A372 L377 V381 V382 R383 | D369-R379 WeakPolarHBondContact OD1-CD 3.31Å; D369-R379 VanDerWaalsContact OD1-CG 3.29Å; D369-R379 WeakPolarHBondContact OD1-CG 3.34Å; D369-R379 IonicContact OD1-CZ 3.17Å; D369-R379 IonicContact OD1-NE 3.79Å; D369-R379 PolarHBondContact OD1-NE 2.99Å; D369-R379 IonicContact OD1-NH2 3.15Å; D369-R379 IonicContact OD2-CZ 3.66Å; D369-R379 IonicContact OD2-NE 2.68Å; D369-R379 PolarHBondContact OD2-NE 3.46Å; D369-R379 IonicContact OD2-NH2 2.61Å; D369-R379 PolarHBondContact OD2-NH2 2.99Å; A372-R379 HydrophobicContact CB-CB 4.32Å; L377-R379 PolarHBondContact O-N 2.94Å; R379-V381 VanDerWaalsContact C-N 3.34Å; R379-V381 PolarHBondContact O-N 3.5Å; R379-V382 PolarHBondContact O-N 2.92Å; R379-R383 WeakPolarHBondContact O-CB 3.13Å; R379-R383 PolarHBondContact O-N 3.13Å |
| 380 | E | 93.6 | Very high | 94.4 | Very high | 101 Ų | 101 | 60.4 Ų | 60.4 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.2 | -34.8 | 179 | 178.8 | 60.5 | -174.3 | 0 | 0 | 112.5 | D378 R383 V384 | D378-E380 PolarHBondContact O-N 3.07Å; E380-R383 VanDerWaalsContact CD-NH2 3.28Å; E380-R383 IonicContact OE1-CZ 2.7Å; E380-R383 IonicContact OE1-NE 2.7Å; E380-R383 IonicContact OE1-NH2 3.17Å; E380-R383 PolarHBondContact OE1-NH2 3.24Å; E380-R383 IonicContact OE2-CZ 3.69Å; E380-R383 IonicContact OE2-NE 3.13Å; E380-R383 PolarHBondContact OE2-NE 3.44Å; E380-R383 IonicContact OE2-NH2 3.84Å; E380-R383 PolarHBondContact OE2-NH2 2.7Å; E380-R383 VanDerWaalsContact OE2-NH2 3.15Å; E380-V384 HydrophobicContact CG-CG2 4.43Å; E380-V384 VanDerWaalsContact O-CB 3.25Å; E380-V384 WeakPolarHBondContact O-CB 3.37Å; E380-V384 WeakPolarHBondContact O-CG2 3.29Å; E380-V384 PolarHBondContact O-N 2.63Å |
| 381 | V | 94.7 | Very high | 94.1 | Very high | 20 Ų | 20 | 61.5 Ų | 61.5 | 12% | 0.121 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | T343 I345 D378 R379 V384 W385 | T343-V381 HydrophobicContact CG2-CG2 4.04Å; I345-V381 HydrophobicContact CD1-CG1 4.03Å; I345-V381 HydrophobicContact CG1-CG1 4.46Å; D378-V381 HydrophobicContact CB-CB 4.03Å; D378-V381 HydrophobicContact CB-CG2 3.65Å; D378-V381 WeakPolarHBondContact O-CA 3.27Å; D378-V381 WeakPolarHBondContact O-CB 3.42Å; D378-V381 PolarHBondContact O-N 3.37Å; R379-V381 VanDerWaalsContact C-N 3.34Å; R379-V381 PolarHBondContact O-N 3.5Å; V381-V384 PolarHBondContact O-N 2.66Å; V381-W385 WeakPolarHBondContact O-CB 3.28Å; V381-W385 PolarHBondContact O-N 3.17Å |
| 382 | V | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.5 | -49.6 | 175.6 | -175.8 | 0 | 0 | 0 | 0 | 110.3 | L353 L368 L371 A372 L377 D378 R379 V384 W385 F386 | L353-V382 HydrophobicContact CD2-CG1 3.88Å; L368-V382 HydrophobicContact CD2-CG1 3.8Å; L371-V382 HydrophobicContact CB-CG1 4.21Å; A372-V382 HydrophobicContact CB-CG2 4.1Å; L377-V382 HydrophobicContact CB-CG2 4.03Å; L377-V382 HydrophobicContact CD1-CG2 4.37Å; D378-V382 PolarHBondContact O-N 2.76Å; R379-V382 PolarHBondContact O-N 2.92Å; V382-V384 VanDerWaalsContact C-N 3.34Å; V382-V384 PolarHBondContact O-N 3.03Å; V382-W385 WeakPolarHBondContact O-CB 3.41Å; V382-W385 PolarHBondContact O-N 3Å; V382-W385 VanDerWaalsContact O-N 3.1Å; V382-F386 HydrophobicContact CG1-CD2 4Å; V382-F386 HydrophobicContact CG1-CE2 3.9Å; V382-F386 WeakPolarHBondContact O-CD2 3.4Å; V382-F386 PolarHBondContact O-N 3.25Å |
| 383 | R | 95.5 | Very high | 93.5 | Very high | 99 Ų | 99 | 70.1 Ų | 70.1 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.5 | -45.2 | 177 | -168.9 | -163 | 67.2 | 71.8 | -1.6 | 112.3 | L368 R379 E380 F386 C387 | L368-R383 HydrophobicContact CD1-CB 4.29Å; L368-R383 HydrophobicContact CD1-CG 4.12Å; R379-R383 WeakPolarHBondContact O-CB 3.13Å; R379-R383 PolarHBondContact O-N 3.13Å; E380-R383 VanDerWaalsContact CD-NH2 3.28Å; E380-R383 IonicContact OE1-CZ 2.7Å; E380-R383 IonicContact OE1-NE 2.7Å; E380-R383 IonicContact OE1-NH2 3.17Å; E380-R383 PolarHBondContact OE1-NH2 3.24Å; E380-R383 IonicContact OE2-CZ 3.69Å; E380-R383 IonicContact OE2-NE 3.13Å; E380-R383 PolarHBondContact OE2-NE 3.44Å; E380-R383 IonicContact OE2-NH2 3.84Å; E380-R383 PolarHBondContact OE2-NH2 2.7Å; E380-R383 VanDerWaalsContact OE2-NH2 3.15Å; R383-F386 PolarHBondContact O-N 2.7Å; R383-C387 PolarHBondContact O-N 3.1Å; R383-C387 VanDerWaalsContact O-N 3.08Å; R383-C387 PolarHBondContact O-SG 3.33Å |
| 384 | V | 94.1 | Very high | 92.9 | Very high | 50 Ų | 50 | 70.5 Ų | 70.5 | 30% | 0.303 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.9 | -34.8 | 177.3 | 168.2 | 0 | 0 | 0 | 0 | 111.7 | E380 V381 V382 C387 N388 | E380-V384 HydrophobicContact CG-CG2 4.43Å; E380-V384 VanDerWaalsContact O-CB 3.25Å; E380-V384 WeakPolarHBondContact O-CB 3.37Å; E380-V384 WeakPolarHBondContact O-CG2 3.29Å; E380-V384 PolarHBondContact O-N 2.63Å; V381-V384 PolarHBondContact O-N 2.66Å; V382-V384 VanDerWaalsContact C-N 3.34Å; V382-V384 PolarHBondContact O-N 3.03Å; V384-C387 WeakPolarHBondContact O-CB 3.48Å; V384-C387 PolarHBondContact O-N 3.34Å; V384-N388 WeakPolarHBondContact CG1-ND2 3.4Å; V384-N388 WeakPolarHBondContact O-CB 3.32Å; V384-N388 VanDerWaalsContact O-CG 3.23Å; V384-N388 PolarHBondContact O-N 3.44Å; V384-N388 PolarHBondContact O-ND2 3.48Å |
| 385 | W | 95.8 | Very high | 92.3 | Very high | 36 Ų | 36 | 70.1 Ų | 70.1 | 14% | 0.136 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60 | -51.7 | 173.6 | -176.2 | 97.3 | 0 | 0 | 0 | 111 | I345 L353 F357 V381 V382 C387 N388 R389 | I345-W385 HydrophobicContact CD1-CG 4.35Å; L353-W385 VanDerWaalsContact C-CH2 3.44Å; L353-W385 HydrophobicContact CB-CD2 4.01Å; L353-W385 HydrophobicContact CB-CE3 3.93Å; L353-W385 HydrophobicContact CB-CH2 3.75Å; L353-W385 HydrophobicContact CB-CZ2 3.77Å; L353-W385 HydrophobicContact CB-CZ3 3.81Å; L353-W385 HydrophobicContact CD1-CD2 3.95Å; L353-W385 HydrophobicContact CD1-CE3 4.43Å; L353-W385 HydrophobicContact CD1-CG 3.99Å; L353-W385 HydrophobicContact CD2-CE3 4.39Å; L353-W385 HydrophobicContact CG-CD2 4.45Å; L353-W385 HydrophobicContact CG-CE3 4.49Å; L353-W385 VanDerWaalsContact O-CH2 3.27Å; L353-W385 WeakPolarHBondContact O-CH2 3.37Å; L353-W385 WeakPolarHBondContact O-CZ3 3.29Å; F357-W385 HydrophobicContact CB-CH2 3.99Å; F357-W385 HydrophobicContact CB-CZ3 4.01Å; F357-W385 HydrophobicContact CD2-CZ3 4.22Å; F357-W385 HydrophobicContact CG-CH2 4.45Å; F357-W385 HydrophobicContact CG-CZ3 4.42Å; V381-W385 WeakPolarHBondContact O-CB 3.28Å; V381-W385 PolarHBondContact O-N 3.17Å; V382-W385 WeakPolarHBondContact O-CB 3.41Å; V382-W385 PolarHBondContact O-N 3Å; V382-W385 VanDerWaalsContact O-N 3.1Å; W385-C387 VanDerWaalsContact C-N 3.32Å; W385-C387 PolarHBondContact O-N 2.82Å; W385-N388 PolarHBondContact O-N 2.98Å; W385-N388 VanDerWaalsContact O-N 3.09Å; W385-R389 HydrophobicContact CE3-CB 4.34Å; W385-R389 HydrophobicContact CH2-CB 4.06Å; W385-R389 HydrophobicContact CH2-CG 3.85Å; W385-R389 HydrophobicContact CZ2-CB 4.42Å; W385-R389 HydrophobicContact CZ2-CG 4.35Å; W385-R389 HydrophobicContact CZ3-CB 4.04Å; W385-R389 HydrophobicContact CZ3-CG 4.19Å; W385-R389 WeakPolarHBondContact O-CB 3.36Å; W385-R389 PolarHBondContact O-N 3.46Å |
| 386 | F | 96.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.009 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.3 | -39.6 | 176.6 | -84.9 | -87.5 | 0 | 0 | 0 | 112.3 | L353 E356 F357 P363 L368 L371 V382 R383 R389 R390 | L353-F386 HydrophobicContact CD2-CE2 3.9Å; E356-F386 HydrophobicContact CB-CZ 4.04Å; F357-F386 HydrophobicContact CB-CE1 4.17Å; F357-F386 AromaticContact CD2-CD1 3.82Å; F357-F386 HydrophobicContact CD2-CD1 3.82Å; F357-F386 HydrophobicContact CD2-CE1 4.06Å; P363-F386 HydrophobicContact CG-CD1 3.79Å; P363-F386 HydrophobicContact CG-CD2 4.15Å; P363-F386 HydrophobicContact CG-CE1 3.65Å; P363-F386 HydrophobicContact CG-CE2 4.04Å; P363-F386 HydrophobicContact CG-CG 4.06Å; P363-F386 HydrophobicContact CG-CZ 3.81Å; L368-F386 HydrophobicContact CD2-CD2 3.61Å; L368-F386 HydrophobicContact CD2-CE2 3.93Å; L368-F386 HydrophobicContact CD2-CG 4.32Å; L371-F386 HydrophobicContact CD1-CE2 4.03Å; L371-F386 HydrophobicContact CD1-CZ 4.11Å; V382-F386 HydrophobicContact CG1-CD2 4Å; V382-F386 HydrophobicContact CG1-CE2 3.9Å; V382-F386 WeakPolarHBondContact O-CD2 3.4Å; V382-F386 PolarHBondContact O-N 3.25Å; R383-F386 PolarHBondContact O-N 2.7Å; F386-R389 PolarHBondContact O-N 3.09Å; F386-R390 WeakPolarHBondContact O-CG 3.47Å; F386-R390 PolarHBondContact O-N 2.88Å; F386-R390 VanDerWaalsContact O-N 3.11Å |
| 387 | C | 93.7 | Very high | 90.7 | Very high | 36 Ų | 36 | 68.2 Ų | 68.2 | 24% | 0.243 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 172.6 | -79.7 | 0 | 0 | 0 | 0 | 112.6 | R383 V384 W385 R390 Q391 | R383-C387 PolarHBondContact O-N 3.1Å; R383-C387 VanDerWaalsContact O-N 3.08Å; R383-C387 PolarHBondContact O-SG 3.33Å; V384-C387 WeakPolarHBondContact O-CB 3.48Å; V384-C387 PolarHBondContact O-N 3.34Å; W385-C387 VanDerWaalsContact C-N 3.32Å; W385-C387 PolarHBondContact O-N 2.82Å; C387-R390 PolarHBondContact SG-NH2 3.17Å; C387-R390 VanDerWaalsContact SG-NH2 3.44Å; C387-Q391 WeakPolarHBondContact O-CG 3.43Å; C387-Q391 PolarHBondContact O-N 2.84Å |
| 388 | N | 94.3 | Very high | 89.5 | Confident | 87 Ų | 87 | 72.3 Ų | 72.3 | 47% | 0.465 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71 | -35.8 | 179.8 | -69.5 | -25.2 | 0 | 0 | 0 | 112.1 | V384 W385 Q391 K392 | V384-N388 WeakPolarHBondContact CG1-ND2 3.4Å; V384-N388 WeakPolarHBondContact O-CB 3.32Å; V384-N388 VanDerWaalsContact O-CG 3.23Å; V384-N388 PolarHBondContact O-N 3.44Å; V384-N388 PolarHBondContact O-ND2 3.48Å; W385-N388 PolarHBondContact O-N 2.98Å; W385-N388 VanDerWaalsContact O-N 3.09Å; N388-Q391 WeakPolarHBondContact O-CB 3.26Å; N388-Q391 PolarHBondContact O-N 2.92Å; N388-K392 PolarHBondContact O-N 3.39Å |
| 389 | R | 94.7 | Very high | 88.3 | Confident | 41 Ų | 41 | 72.9 Ų | 72.9 | 16% | 0.155 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.3 | -45.3 | 177.8 | -175.6 | 61.9 | -175.5 | 105.4 | -4.1 | 111.9 | E354 F357 W385 F386 Q391 K392 E393 E396 | E354-R389 VanDerWaalsContact CD-NE 3.32Å; E354-R389 IonicContact OE1-CZ 2.68Å; E354-R389 VanDerWaalsContact OE1-CZ 3.29Å; E354-R389 IonicContact OE1-NE 3.48Å; E354-R389 PolarHBondContact OE1-NE 2.88Å; E354-R389 IonicContact OE1-NH2 3.82Å; E354-R389 PolarHBondContact OE1-NH2 3.41Å; E354-R389 WeakPolarHBondContact OE2-CD 3.32Å; E354-R389 IonicContact OE2-CZ 2.81Å; E354-R389 IonicContact OE2-NE 2.87Å; E354-R389 PolarHBondContact OE2-NE 3.26Å; E354-R389 IonicContact OE2-NH2 3.99Å; F357-R389 HydrophobicContact CD1-CG 3.84Å; F357-R389 HydrophobicContact CD2-CB 4.01Å; F357-R389 HydrophobicContact CD2-CG 3.51Å; F357-R389 HydrophobicContact CE1-CG 3.84Å; F357-R389 HydrophobicContact CE2-CB 3.89Å; F357-R389 HydrophobicContact CE2-CG 3.5Å; F357-R389 HydrophobicContact CG-CG 3.69Å; F357-R389 HydrophobicContact CZ-CB 4.42Å; F357-R389 HydrophobicContact CZ-CG 3.69Å; W385-R389 HydrophobicContact CE3-CB 4.34Å; W385-R389 HydrophobicContact CH2-CB 4.06Å; W385-R389 HydrophobicContact CH2-CG 3.85Å; W385-R389 HydrophobicContact CZ2-CB 4.42Å; W385-R389 HydrophobicContact CZ2-CG 4.35Å; W385-R389 HydrophobicContact CZ3-CB 4.04Å; W385-R389 HydrophobicContact CZ3-CG 4.19Å; W385-R389 WeakPolarHBondContact O-CB 3.36Å; W385-R389 PolarHBondContact O-N 3.46Å; F386-R389 PolarHBondContact O-N 3.09Å; R389-Q391 VanDerWaalsContact C-N 3.29Å; R389-Q391 PolarHBondContact O-N 3.42Å; R389-K392 WeakPolarHBondContact O-CB 3.27Å; R389-K392 PolarHBondContact O-N 2.83Å; R389-K392 VanDerWaalsContact O-N 3.08Å; R389-E393 PolarHBondContact O-N 3.17Å; R389-E396 IonicContact NH1-OE2 3.87Å; R389-E396 PolarHBondContact NH1-OE2 3.25Å |
| 390 | R | 93.8 | Very high | 86.5 | Confident | 65 Ų | 65 | 68.8 Ų | 68.8 | 25% | 0.245 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.8 | -36.1 | 170.7 | -70.6 | -167.9 | -65.6 | -84.2 | -3.2 | 113 | F357 N361 F386 C387 K392 K394 | F357-R390 HydrophobicContact CE2-CG 3.69Å; F357-R390 HydrophobicContact CZ-CG 4.07Å; N361-R390 WeakPolarHBondContact O-CD 3.29Å; N361-R390 PolarHBondContact O-NH1 3.47Å; F386-R390 WeakPolarHBondContact O-CG 3.47Å; F386-R390 PolarHBondContact O-N 2.88Å; F386-R390 VanDerWaalsContact O-N 3.11Å; C387-R390 PolarHBondContact SG-NH2 3.17Å; C387-R390 VanDerWaalsContact SG-NH2 3.44Å; R390-K392 VanDerWaalsContact C-N 3.33Å; R390-K394 WeakPolarHBondContact O-CB 3.18Å; R390-K394 PolarHBondContact O-N 2.97Å |
| 391 | Q | 88.1 | Confident | 84.8 | Confident | 118 Ų | 118 | 67.5 Ų | 67.5 | 55% | 0.551 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.6 | -31.7 | 174.7 | -74.2 | 179.7 | 24.3 | 0 | 0 | 112.8 | C387 N388 R389 K395 | C387-Q391 WeakPolarHBondContact O-CG 3.43Å; C387-Q391 PolarHBondContact O-N 2.84Å; N388-Q391 WeakPolarHBondContact O-CB 3.26Å; N388-Q391 PolarHBondContact O-N 2.92Å; R389-Q391 VanDerWaalsContact C-N 3.29Å; R389-Q391 PolarHBondContact O-N 3.42Å; Q391-K395 WeakPolarHBondContact O-CG 3.28Å; Q391-K395 PolarHBondContact O-N 3.08Å |
| 392 | K | 89.5 | Confident | 83.1 | Confident | 112 Ų | 112 | 72.6 Ų | 72.6 | 49% | 0.487 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69 | -49.3 | 174.3 | -167.8 | 179.9 | -178.3 | -93.1 | 0 | 110.5 | N388 R389 R390 K394 K395 E396 | N388-K392 PolarHBondContact O-N 3.39Å; R389-K392 WeakPolarHBondContact O-CB 3.27Å; R389-K392 PolarHBondContact O-N 2.83Å; R389-K392 VanDerWaalsContact O-N 3.08Å; R390-K392 VanDerWaalsContact C-N 3.33Å; K392-K394 PolarHBondContact O-N 2.81Å; K392-K395 WeakPolarHBondContact O-CA 3.5Å; K392-K395 WeakPolarHBondContact O-CB 3.43Å; K392-K395 PolarHBondContact O-N 2.97Å; K392-E396 WeakPolarHBondContact CE-OE1 3.29Å; K392-E396 HydrophobicContact CG-CG 4.43Å; K392-E396 IonicContact NZ-OE1 3.35Å; K392-E396 PolarHBondContact NZ-OE1 2.84Å; K392-E396 WeakPolarHBondContact O-CG 3.29Å; K392-E396 PolarHBondContact O-N 3.36Å |
| 393 | E | 88.3 | Confident | 81.4 | Confident | 74 Ų | 74 | 80.2 Ų | 80.2 | 35% | 0.346 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56.2 | -45 | 175.7 | 178.2 | -177.8 | -110.8 | 0 | 0 | 112.4 | F357 R389 K395 E396 C397 | F357-E393 WeakPolarHBondContact CE1-OE1 3.36Å; R389-E393 PolarHBondContact O-N 3.17Å; E393-K395 PolarHBondContact O-N 2.88Å; E393-E396 WeakPolarHBondContact CA-OE2 3.18Å; E393-E396 PolarHBondContact N-OE2 2.81Å; E393-E396 PolarHBondContact O-N 3.46Å; E393-C397 VanDerWaalsContact O-CB 3.32Å; E393-C397 WeakPolarHBondContact O-CB 3.25Å; E393-C397 PolarHBondContact O-N 2.81Å |
| 394 | K | 83.7 | Confident | 79.4 | Confident | 137 Ų | 137 | 79.3 Ų | 79.3 | 60% | 0.596 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.3 | -19.8 | 174.5 | -175.5 | 167.8 | -178.8 | 172.8 | 0 | 113.6 | R390 K392 R398 | R390-K394 WeakPolarHBondContact O-CB 3.18Å; R390-K394 PolarHBondContact O-N 2.97Å; K392-K394 PolarHBondContact O-N 2.81Å; K394-R398 PolarHBondContact O-NE 2.81Å; K394-R398 PolarHBondContact O-NH2 3.05Å |
| 395 | K | 82 | Confident | 77.6 | Confident | 118 Ų | 118 | 80.9 Ų | 80.9 | 51% | 0.513 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -80.5 | -54.6 | 170 | -73.2 | 176.7 | 178.1 | -168 | 0 | 110 | Q391 K392 E393 C397 R398 D399 | Q391-K395 WeakPolarHBondContact O-CG 3.28Å; Q391-K395 PolarHBondContact O-N 3.08Å; K392-K395 WeakPolarHBondContact O-CA 3.5Å; K392-K395 WeakPolarHBondContact O-CB 3.43Å; K392-K395 PolarHBondContact O-N 2.97Å; E393-K395 PolarHBondContact O-N 2.88Å; K395-C397 PolarHBondContact O-N 2.75Å; K395-C397 VanDerWaalsContact O-N 3.14Å; K395-R398 CarbonylContact O-C 3.6Å; K395-R398 WeakPolarHBondContact O-CA 3.46Å; K395-R398 PolarHBondContact O-N 3.33Å; K395-D399 VanDerWaalsContact C-OD2 3.3Å; K395-D399 PolarHBondContact O-N 3.26Å |
| 396 | E | 79.9 | Confident | 75.5 | Confident | 72 Ų | 72 | 82.4 Ų | 82.4 | 34% | 0.336 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -48.5 | -45.3 | 177.5 | -67.2 | 165.6 | 152.8 | 0 | 0 | 111.7 | R389 K392 E393 R398 D399 C400 | R389-E396 IonicContact NH1-OE2 3.87Å; R389-E396 PolarHBondContact NH1-OE2 3.25Å; K392-E396 WeakPolarHBondContact CE-OE1 3.29Å; K392-E396 HydrophobicContact CG-CG 4.43Å; K392-E396 IonicContact NZ-OE1 3.35Å; K392-E396 PolarHBondContact NZ-OE1 2.84Å; K392-E396 WeakPolarHBondContact O-CG 3.29Å; K392-E396 PolarHBondContact O-N 3.36Å; E393-E396 WeakPolarHBondContact CA-OE2 3.18Å; E393-E396 PolarHBondContact N-OE2 2.81Å; E393-E396 PolarHBondContact O-N 3.46Å; E396-R398 PolarHBondContact O-N 3.39Å; E396-D399 PolarHBondContact O-N 2.88Å; E396-C400 WeakPolarHBondContact O-CB 3.41Å; E396-C400 PolarHBondContact O-N 2.84Å; E396-C400 PolarHBondContact O-SG 3.48Å |
| 397 | C | 72.1 | Confident | 73.2 | Confident | 16 Ų | 16 | 92.7 Ų | 92.7 | 11% | 0.108 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 174.4 | 174.7 | 0 | 0 | 0 | 0 | 114.1 | E393 K395 L401 F416 | E393-C397 VanDerWaalsContact O-CB 3.32Å; E393-C397 WeakPolarHBondContact O-CB 3.25Å; E393-C397 PolarHBondContact O-N 2.81Å; K395-C397 PolarHBondContact O-N 2.75Å; K395-C397 VanDerWaalsContact O-N 3.14Å; C397-L401 WeakPolarHBondContact O-CB 3.26Å; C397-L401 WeakPolarHBondContact O-CG 3.45Å; C397-L401 PolarHBondContact O-N 3.22Å; C397-F416 WeakPolarHBondContact SG-CD2 3.46Å |
| 398 | R | 69.7 | Low | 70.9 | Confident | 116 Ų | 116 | 101.5 Ų | 101.5 | 44% | 0.438 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -75.2 | -37.2 | 177.6 | -79.1 | 178.6 | -66.6 | 177.8 | 6.8 | 112.8 | K394 K395 E396 L401 N402 | K394-R398 PolarHBondContact O-NE 2.81Å; K394-R398 PolarHBondContact O-NH2 3.05Å; K395-R398 CarbonylContact O-C 3.6Å; K395-R398 WeakPolarHBondContact O-CA 3.46Å; K395-R398 PolarHBondContact O-N 3.33Å; E396-R398 PolarHBondContact O-N 3.39Å; R398-L401 PolarHBondContact O-N 3.07Å; R398-N402 WeakPolarHBondContact O-CB 3.27Å; R398-N402 PolarHBondContact O-N 3.27Å |
| 399 | D | 66.5 | Low | 68.3 | Low | 95 Ų | 95 | 100.9 Ų | 100.9 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.1 | -45 | 178.6 | -57.4 | -28.9 | 0 | 0 | 0 | 108.5 | K395 E396 N402 E403 | K395-D399 VanDerWaalsContact C-OD2 3.3Å; K395-D399 PolarHBondContact O-N 3.26Å; E396-D399 PolarHBondContact O-N 2.88Å; D399-N402 PolarHBondContact O-N 2.79Å; D399-E403 WeakPolarHBondContact O-CB 3.5Å; D399-E403 PolarHBondContact O-N 3.37Å |
| 400 | C | 54.8 | Low | 66.2 | Low | 49 Ų | 49 | 103.3 Ų | 103.3 | 33% | 0.331 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 169.6 | -69 | 0 | 0 | 0 | 0 | 113.5 | E396 N402 E403 M404 | E396-C400 WeakPolarHBondContact O-CB 3.41Å; E396-C400 PolarHBondContact O-N 2.84Å; E396-C400 PolarHBondContact O-SG 3.48Å; C400-N402 VanDerWaalsContact C-N 3.32Å; C400-N402 PolarHBondContact O-N 2.97Å; C400-E403 PolarHBondContact O-N 3.4Å; C400-M404 HydrophobicContact CB-CE 4.36Å; C400-M404 WeakPolarHBondContact O-CB 3.3Å; C400-M404 WeakPolarHBondContact O-CG 3.3Å; C400-M404 PolarHBondContact O-N 3.21Å |
| 401 | L | 57.9 | Low | 64.3 | Low | 75 Ų | 75 | 104 Ų | 104 | 39% | 0.393 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 176.8 | -79.5 | 168 | 0 | 0 | 0 | 112.3 | C397 R398 M404 A405 F416 | C397-L401 WeakPolarHBondContact O-CB 3.26Å; C397-L401 WeakPolarHBondContact O-CG 3.45Å; C397-L401 PolarHBondContact O-N 3.22Å; R398-L401 PolarHBondContact O-N 3.07Å; L401-M404 CarbonylContact O-C 3.56Å; L401-A405 WeakPolarHBondContact O-CB 3.47Å; L401-A405 PolarHBondContact O-N 3.38Å; L401-F416 HydrophobicContact CD1-CD1 4.41Å; L401-F416 HydrophobicContact CD1-CD2 4.44Å; L401-F416 HydrophobicContact CD1-CE1 4.4Å; L401-F416 HydrophobicContact CD1-CE2 4.43Å; L401-F416 HydrophobicContact CD1-CG 4.42Å; L401-F416 HydrophobicContact CD1-CZ 4.4Å |
| 402 | N | 59.5 | Low | 62.5 | Low | 126 Ų | 126 | 107.2 Ų | 107.2 | 67% | 0.674 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -72.2 | -39.7 | 175.9 | -75.7 | -4.8 | 0 | 0 | 0 | 111.9 | R398 D399 C400 A405 | R398-N402 WeakPolarHBondContact O-CB 3.27Å; R398-N402 PolarHBondContact O-N 3.27Å; D399-N402 PolarHBondContact O-N 2.79Å; C400-N402 VanDerWaalsContact C-N 3.32Å; C400-N402 PolarHBondContact O-N 2.97Å; N402-A405 WeakPolarHBondContact O-CB 3.45Å; N402-A405 PolarHBondContact O-N 3.35Å |
| 403 | E | 58.5 | Low | 60.5 | Low | 160 Ų | 160 | 107.2 Ų | 107.2 | 75% | 0.748 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.8 | -36 | 175.5 | -166.8 | 172.1 | -171.3 | 0 | 0 | 111.6 | D399 C400 | D399-E403 WeakPolarHBondContact O-CB 3.5Å; D399-E403 PolarHBondContact O-N 3.37Å; C400-E403 PolarHBondContact O-N 3.4Å |
| 404 | M | 54.5 | Low | 58.4 | Low | 81 Ų | 81 | 105.6 Ų | 105.6 | 40% | 0.399 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -85.8 | -6.1 | 175.4 | -63.2 | 172.7 | -174.6 | 0 | 0 | 113.6 | C400 L401 G406 R407 C409 | C400-M404 HydrophobicContact CB-CE 4.36Å; C400-M404 WeakPolarHBondContact O-CB 3.3Å; C400-M404 WeakPolarHBondContact O-CG 3.3Å; C400-M404 PolarHBondContact O-N 3.21Å; L401-M404 CarbonylContact O-C 3.56Å; M404-G406 PolarHBondContact O-N 3.21Å; M404-G406 VanDerWaalsContact O-N 3.14Å; M404-R407 CarbonylContact O-C 3.55Å; M404-R407 PolarHBondContact O-N 3.17Å; M404-C409 HydrophobicContact CB-CB 4.06Å; M404-C409 HydrophobicContact CG-CB 3.94Å; M404-C409 HydrophobicContact SD-CB 3.41Å; M404-C409 WeakPolarHBondContact SD-CB 3.25Å |
| 405 | A | 55.3 | Low | 56.7 | Low | 83 Ų | 83 | 103.1 Ų | 103.1 | 69% | 0.686 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -19.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L401 N402 | L401-A405 WeakPolarHBondContact O-CB 3.47Å; L401-A405 PolarHBondContact O-N 3.38Å; N402-A405 WeakPolarHBondContact O-CB 3.45Å; N402-A405 PolarHBondContact O-N 3.35Å |
| 406 | G | 53 | Low | 54.7 | Low | 68 Ų | 68 | 102.9 Ų | 102.9 | 70% | 0.701 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -14.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | M404 | M404-G406 PolarHBondContact O-N 3.21Å; M404-G406 VanDerWaalsContact O-N 3.14Å |
| 407 | R | 47.1 | Very low | 52.8 | Low | 217 Ų | 217 | 106.6 Ų | 106.6 | 82% | 0.819 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -152.4 | 106.4 | -179.6 | -61.7 | -173.8 | -166.4 | -142.6 | 0.7 | 111.2 | M404 C409 | M404-R407 CarbonylContact O-C 3.55Å; M404-R407 PolarHBondContact O-N 3.17Å; R407-C409 PolarHBondContact O-N 2.79Å |
| 408 | K | 46.2 | Very low | 51.3 | Low | 222 Ų | 222 | 109.7 Ų | 109.7 | 97% | 0.965 | 62% | 0.62 | S | S | * | * | trans | -42.6 | 102.7 | 178 | -66 | 177.8 | -179.5 | 177.7 | 0 | 112.2 | ||||
| 409 | C | 40 | Very low | 49.9 | Very low | 74 Ų | 74 | 113.4 Ų | 113.4 | 50% | 0.5 | 64% | 0.635 | S | S | . | * | trans | -105 | 142.2 | 175.9 | -149.3 | 0 | 0 | 0 | 0 | 109.9 | M404 R407 A411 | M404-C409 HydrophobicContact CB-CB 4.06Å; M404-C409 HydrophobicContact CG-CB 3.94Å; M404-C409 HydrophobicContact SD-CB 3.41Å; M404-C409 WeakPolarHBondContact SD-CB 3.25Å; R407-C409 PolarHBondContact O-N 2.79Å; C409-A411 PolarHBondContact O-N 3.28Å | ||
| 410 | S | 49.9 | Very low | 48.8 | Very low | 91 Ų | 91 | 114.2 Ų | 114.2 | 64% | 0.636 | 64% | 0.643 | S | S | * | * | trans | -68.5 | 124.3 | -171.2 | -171.2 | 0 | 0 | 0 | 0 | 111.5 | H412 S413 | S410-H412 PolarHBondContact O-N 3.19Å; S410-S413 PolarHBondContact O-N 2.87Å | ||
| 411 | A | 54.9 | Low | 47.7 | Very low | 79 Ų | 79 | 121 Ų | 121 | 65% | 0.653 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -2.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | C409 C414 | C409-A411 PolarHBondContact O-N 3.28Å; A411-C414 VanDerWaalsContact O-O 3.11Å |
| 412 | H | 49.5 | Very low | 46.4 | Very low | 187 Ų | 187 | 123.2 Ų | 123.2 | 87% | 0.866 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -16.7 | -178.2 | -96.8 | -111.9 | 0 | 0 | 0 | 115.4 | S410 | S410-H412 PolarHBondContact O-N 3.19Š|
| 413 | S | 48 | Very low | 45.4 | Very low | 111 Ų | 111 | 123 Ų | 123 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -97.6 | -9.4 | 177.3 | 82.8 | 0 | 0 | 0 | 0 | 114.1 | S410 | S410-S413 PolarHBondContact O-N 2.87Š|
| 414 | C | 44.2 | Very low | 44.1 | Very low | 41 Ų | 41 | 126 Ų | 126 | 28% | 0.277 | 70% | 0.695 | S | S | . | * | S | Bend | trans | -102.9 | 127.2 | 168.9 | -165.9 | 0 | 0 | 0 | 0 | 106.9 | A411 F416 | A411-C414 VanDerWaalsContact O-O 3.11Å; C414-F416 PolarHBondContact O-N 3.46Å |
| 415 | G | 46.2 | Very low | 42.9 | Very low | 85 Ų | 85 | 130.1 Ų | 130.1 | 88% | 0.876 | 72% | 0.718 | S | S | * | * | trans | -67.4 | 29 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | L417 | G415-L417 PolarHBondContact O-N 3.46Š| ||
| 416 | F | 41.8 | Very low | 42.1 | Very low | 113 Ų | 113 | 132 Ų | 132 | 50% | 0.496 | 72% | 0.723 | S | S | . | * | trans | -78.6 | 49.7 | 178.3 | -162.9 | -111.2 | 0 | 0 | 0 | 111.7 | C397 L401 C414 V418 | C397-F416 WeakPolarHBondContact SG-CD2 3.46Å; L401-F416 HydrophobicContact CD1-CD1 4.41Å; L401-F416 HydrophobicContact CD1-CD2 4.44Å; L401-F416 HydrophobicContact CD1-CE1 4.4Å; L401-F416 HydrophobicContact CD1-CE2 4.43Å; L401-F416 HydrophobicContact CD1-CG 4.42Å; L401-F416 HydrophobicContact CD1-CZ 4.4Å; C414-F416 PolarHBondContact O-N 3.46Å; F416-V418 VanDerWaalsContact C-N 3.34Å; F416-V418 HydrophobicContact CD1-CG2 3.83Å; F416-V418 HydrophobicContact CE1-CG2 3.55Å; F416-V418 HydrophobicContact CZ-CG2 4.12Å; F416-V418 PolarHBondContact O-N 3.32Å | ||
| 417 | L | 38.3 | Very low | 41.2 | Very low | 150 Ų | 150 | 137.1 Ų | 137.1 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | -68.3 | 105.1 | 157.5 | -156.8 | 88.4 | 0 | 0 | 0 | 106.4 | G415 Y419 | G415-L417 PolarHBondContact O-N 3.46Å; L417-Y419 PolarHBondContact O-N 3.05Å | ||
| 418 | V | 42.5 | Very low | 40.4 | Very low | 80 Ų | 80 | 131 Ų | 131 | 49% | 0.485 | 74% | 0.738 | S | S | . | * | trans | -59.1 | 110 | 178.8 | -171.7 | 0 | 0 | 0 | 0 | 107.4 | F416 T420 | F416-V418 VanDerWaalsContact C-N 3.34Å; F416-V418 HydrophobicContact CD1-CG2 3.83Å; F416-V418 HydrophobicContact CE1-CG2 3.55Å; F416-V418 HydrophobicContact CZ-CG2 4.12Å; F416-V418 PolarHBondContact O-N 3.32Å; V418-T420 HydrophobicContact CB-CG2 4.25Å; V418-T420 HydrophobicContact CG1-CG2 3.62Å; V418-T420 PolarHBondContact O-N 3.18Å | ||
| 419 | Y | 39.5 | Very low | 39.7 | Very low | 195 Ų | 195 | 123.9 Ų | 123.9 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | trans | -69.2 | 74.4 | 161.7 | -82 | -95.9 | 0 | 0 | 0 | 107.7 | L417 H421 | L417-Y419 PolarHBondContact O-N 3.05Å; Y419-H421 PolarHBondContact O-N 2.93Å | ||
| 420 | T | 42.2 | Very low | 39.6 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 68% | 0.681 | 74% | 0.742 | S | S | * | * | trans | -59.6 | 131.7 | 165.1 | 45.5 | 0 | 0 | 0 | 0 | 107.6 | V418 | V418-T420 HydrophobicContact CB-CG2 4.25Å; V418-T420 HydrophobicContact CG1-CG2 3.62Å; V418-T420 PolarHBondContact O-N 3.18Å | ||
| 421 | H | 32.2 | Very low | 38.9 | Very low | 191 Ų | 191 | 127.1 Ų | 127.1 | 88% | 0.884 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -56.5 | 153 | 170.6 | -129.9 | -105.3 | 0 | 0 | 0 | 110.2 | Y419 | Y419-H421 PolarHBondContact O-N 2.93Š|
| 422 | D | 30.2 | Very low | 38.1 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 65% | 0.652 | 75% | 0.754 | S | S | * | * | trans | 76.8 | 101.1 | 172.7 | -144.8 | -14.4 | 0 | 0 | 0 | 117.1 | ||||
| 423 | S | 38.5 | Very low | 37.4 | Very low | 122 Ų | 122 | 128 Ų | 128 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | trans | -158.7 | 105.9 | 147.1 | -80.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 424 | R | 32.1 | Very low | 36.8 | Very low | 223 Ų | 223 | 130.5 Ų | 130.5 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | trans | -60.3 | 147.6 | 170.3 | -59.1 | 174.2 | -174.4 | -167.5 | -0.8 | 109.5 | ||||
| 425 | L | 29.8 | Very low | 36.5 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -51.6 | 143.6 | 173.8 | -60.9 | 168.4 | 0 | 0 | 0 | 111.9 | ||||
| 426 | P | 37.9 | Very low | 36 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | -104.4 | 140 | 140.8 | 5.7 | 13.6 | 0 | 0 | 0 | 110.4 | ||||
| 427 | L | 33.3 | Very low | 35.8 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -72 | 149.8 | 173.8 | -64.7 | 153.1 | 0 | 0 | 0 | 110.7 | ||||
| 428 | G | 30.6 | Very low | 35.8 | Very low | 88 Ų | 88 | 141.8 Ų | 141.8 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | trans | 98.5 | 94.5 | 162 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 429 | G | 33.1 | Very low | 35.6 | Very low | 73 Ų | 73 | 145 Ų | 145 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | 174.4 | 113.3 | 171 | 0 | 0 | 0 | 0 | 0 | 109.4 | A431 | G429-A431 PolarHBondContact O-N 3.22Š| ||
| 430 | T | 36.6 | Very low | 35.5 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | trans | -63 | 119.3 | -178.8 | 43.3 | 0 | 0 | 0 | 0 | 110.6 | D432 | T430-D432 VanDerWaalsContact C-N 3.27Å; T430-D432 PolarHBondContact O-N 3.29Å | ||
| 431 | A | 34.7 | Very low | 35.6 | Very low | 103 Ų | 103 | 141 Ų | 141 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | -83.5 | 66.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G429 | G429-A431 PolarHBondContact O-N 3.22Š| ||
| 432 | D | 38.1 | Very low | 36 | Very low | 131 Ų | 131 | 143.2 Ų | 143.2 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | trans | -125.9 | 138.6 | 167.9 | -71.4 | -60.7 | 0 | 0 | 0 | 109.1 | T430 | T430-D432 VanDerWaalsContact C-N 3.27Å; T430-D432 PolarHBondContact O-N 3.29Å | ||
| 433 | N | 35.7 | Very low | 36.9 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | trans | 78.6 | 66.9 | 177.8 | -46.1 | -59.8 | 0 | 0 | 0 | 118.1 | ||||
| 434 | L | 35.6 | Very low | 37.4 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -139.2 | 46 | 152.9 | -150.8 | 72.9 | 0 | 0 | 0 | 114.2 | ||||
| 435 | C | 37.8 | Very low | 38.5 | Very low | 128 Ų | 128 | 141 Ų | 141 | 87% | 0.865 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -134.4 | 54.7 | 167.6 | -69.3 | 0 | 0 | 0 | 0 | 111 | ||
| 436 | Q | 35.6 | Very low | 39 | Very low | 191 Ų | 191 | 139.8 Ų | 139.8 | 89% | 0.893 | 84% | 0.843 | S | S | * | * | trans | -159.9 | 64.4 | 177.9 | -121.2 | 167.7 | 72 | 0 | 0 | 112.8 | ||||
| 437 | I | 36.7 | Very low | 39 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 75% | 0.749 | 85% | 0.845 | S | S | * | * | trans | -137.9 | 84.6 | 164.4 | -50.9 | 178.2 | 0 | 0 | 0 | 108.4 | ||||
| 438 | N | 38.3 | Very low | 39.4 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 87% | 0.866 | 84% | 0.841 | S | S | * | * | trans | 175.5 | 76 | 152.1 | -94.6 | -10.3 | 0 | 0 | 0 | 109.8 | ||||
| 439 | D | 38.7 | Very low | 39.9 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 78% | 0.781 | 84% | 0.837 | S | S | * | * | trans | -157.2 | 118.1 | 135.8 | -133.4 | -38.5 | 0 | 0 | 0 | 109.8 | ||||
| 440 | S | 37.1 | Very low | 40.3 | Very low | 128 Ų | 128 | 146 Ų | 146 | 90% | 0.895 | 84% | 0.843 | S | S | * | * | trans | -151.9 | 67.8 | -176.9 | -82.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 441 | S | 45.4 | Very low | 40.5 | Very low | 96 Ų | 96 | 147.1 Ų | 147.1 | 67% | 0.671 | 85% | 0.846 | S | S | * | * | trans | -149.3 | 116 | 166.6 | 48.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 442 | R | 40.4 | Very low | 41 | Very low | 237 Ų | 237 | 150.2 Ų | 150.2 | 89% | 0.894 | 85% | 0.845 | S | S | * | * | trans | 86.1 | 119.3 | 146.9 | -78.1 | 179 | 157.3 | -161.7 | -7.6 | 122.3 | ||||
| 443 | S | 48 | Very low | 41.2 | Very low | 102 Ų | 102 | 151.7 Ų | 151.7 | 71% | 0.713 | 86% | 0.856 | S | S | * | * | trans | 59.4 | 111.5 | 143.2 | 51.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 444 | S | 49.5 | Very low | 41.6 | Very low | 114 Ų | 114 | 151.5 Ų | 151.5 | 80% | 0.797 | 86% | 0.859 | S | S | * | * | 70.1 | 142.3 | 54.6 | -53.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 445 | P | 56.5 | Low | 42.2 | Very low | 205 Ų | 205 | 150.5 Ų | 150.5 | 100% | 1.331 | 86% | 0.86 | S | S | * | * | cis | -86.8 | 0 | 2.1 | 36.5 | -35 | 0 | 0 | 0 | 114.7 |
Retrieved 445 of 445 residues in 754 ms
(Link to these results)