| 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 | 36.4 | Very low | 41.6 | Very low | 229 Ų | 229 | 182.4 Ų | 182.4 | 100% | 1.128 | 83% | 0.831 | S | S | * | * | 0 | 126.9 | 0 | -77 | 157.8 | 72.5 | 0 | 0 | 109.2 | |||||
| 2 | K | 39.5 | Very low | 41.2 | Very low | 191 Ų | 191 | 178.9 Ų | 178.9 | 83% | 0.83 | 82% | 0.824 | S | S | * | * | trans | 55.3 | 108.1 | 156.4 | -58.5 | 176.9 | 179 | 177.5 | 0 | 117.9 | ||||
| 3 | K | 42.3 | Very low | 41 | Very low | 201 Ų | 201 | 178.2 Ų | 178.2 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | 91.5 | 140.2 | 62.7 | -92.4 | -167.1 | 177.9 | -179.1 | 0 | 114.8 | |||||
| 4 | K | 47.7 | Very low | 40.5 | Very low | 191 Ų | 191 | 170.9 Ų | 170.9 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | trans | 106.8 | 112.7 | 160 | -69.4 | -179.6 | 171.5 | -178.1 | 0 | 113.6 | ||||
| 5 | V | 48.3 | Very low | 40.3 | Very low | 112 Ų | 112 | 171.5 Ų | 171.5 | 68% | 0.679 | 83% | 0.826 | S | S | * | * | cis | 69.6 | 107.1 | 34.4 | -166.7 | 0 | 0 | 0 | 0 | 114.9 | H7 | V5-H7 HydrophobicContact CG1-CB 4.27Š| ||
| 6 | H | 45.4 | Very low | 40 | Very low | 192 Ų | 192 | 171.1 Ų | 171.1 | 89% | 0.889 | 82% | 0.823 | S | S | * | * | trans | -143.1 | 120.8 | 142.8 | -84 | 7.2 | 0 | 0 | 0 | 103.9 | ||||
| 7 | H | 38.1 | Very low | 40 | Very low | 157 Ų | 157 | 166.9 Ų | 166.9 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | cis | 73.2 | 98.7 | 27.8 | -118.4 | 68.2 | 0 | 0 | 0 | 116.6 | V5 | V5-H7 HydrophobicContact CG1-CB 4.27Š| ||
| 8 | R | 40 | Very low | 40.1 | Very low | 233 Ų | 233 | 163.7 Ų | 163.7 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | 155.6 | 110.8 | 136.2 | -95.2 | 177.7 | 161.4 | 169.2 | -4.7 | 108.1 | ||||
| 9 | E | 40.3 | Very low | 40.3 | Very low | 151 Ų | 151 | 160.4 Ų | 160.4 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | 68.6 | 111.4 | 57.1 | -157.2 | -178.5 | -146.9 | 0 | 0 | 114.3 | |||||
| 10 | K | 42 | Very low | 40.3 | Very low | 202 Ų | 202 | 163.7 Ų | 163.7 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | trans | -179.8 | 114.8 | 144.2 | -98 | 174.4 | -176.8 | -170.5 | 0 | 107.2 | ||||
| 11 | M | 37.1 | Very low | 40.6 | Very low | 147 Ų | 147 | 161 Ų | 161 | 72% | 0.724 | 82% | 0.82 | S | S | * | * | 53.3 | 123.4 | 70.4 | -68.6 | -79.3 | 170.3 | 0 | 0 | 110.1 | |||||
| 12 | L | 37.3 | Very low | 40.8 | Very low | 141 Ų | 141 | 156.5 Ų | 156.5 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | cis | -166.6 | 146.3 | 27.2 | -92.4 | 147.3 | 0 | 0 | 0 | 108.6 | ||||
| 13 | L | 38.3 | Very low | 40.8 | Very low | 169 Ų | 169 | 150.6 Ų | 150.6 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | 42.2 | 128 | 117 | -111.6 | 94.8 | 0 | 0 | 0 | 119.2 | |||||
| 14 | G | 33.8 | Very low | 40.8 | Very low | 76 Ų | 76 | 150.5 Ų | 150.5 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | 169.7 | 108.4 | 159.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 15 | Q | 37.8 | Very low | 40.6 | Very low | 180 Ų | 180 | 148.2 Ų | 148.2 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | -54.7 | 157 | 158.8 | -69.8 | 156.1 | -65.7 | 0 | 0 | 109.4 | ||||
| 16 | E | 36.7 | Very low | 40.4 | Very low | 165 Ų | 165 | 148.5 Ų | 148.5 | 77% | 0.771 | 81% | 0.81 | S | S | * | * | 173.9 | 159.2 | 60.5 | -143.8 | 164.6 | -139.7 | 0 | 0 | 109.8 | |||||
| 17 | S | 38.8 | Very low | 40.1 | Very low | 100 Ų | 100 | 142.7 Ų | 142.7 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | trans | 77.3 | 113.5 | 146.2 | 70.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 18 | S | 41.5 | Very low | 40.5 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | 50.1 | 118.1 | 131.7 | 64.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 19 | A | 44.1 | Very low | 40.4 | Very low | 100 Ų | 100 | 137 Ų | 137 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | -162.5 | 101.4 | 129.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 20 | Y | 41.2 | Very low | 40.3 | Very low | 226 Ų | 226 | 138 Ų | 138 | 89% | 0.886 | 81% | 0.807 | S | S | * | * | trans | -68.3 | 123 | 163.9 | -89.3 | -99.1 | 0 | 0 | 0 | 108.9 | ||||
| 21 | A | 46.5 | Very low | 40.1 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 88% | 0.884 | 81% | 0.808 | S | S | * | * | trans | -98.4 | 99.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 22 | V | 40 | Very low | 40.2 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -87.5 | 136.5 | 170.7 | 170.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 23 | G | 39.4 | Very low | 40.1 | Very low | 66 Ų | 66 | 137.3 Ų | 137.3 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | trans | 121.2 | 102.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 24 | Q | 43.5 | Very low | 40 | Very low | 200 Ų | 200 | 134.2 Ų | 134.2 | 94% | 0.935 | 80% | 0.801 | S | S | * | * | -173.6 | 95.3 | 109.5 | -94.8 | -164.7 | -13.1 | 0 | 0 | 108.9 | |||||
| 25 | V | 43.4 | Very low | 40.6 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -113.4 | 102.5 | 156.6 | 179.4 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 26 | S | 44.4 | Very low | 41.2 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -72.5 | 125.7 | 155.1 | 47.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 27 | G | 38 | Very low | 41.7 | Very low | 70 Ų | 70 | 132.9 Ų | 132.9 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | cis | 103.8 | 82.8 | 30.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 28 | S | 45.9 | Very low | 42.1 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -157.4 | 115.2 | 138.6 | -162.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 29 | L | 39.4 | Very low | 42.7 | Very low | 141 Ų | 141 | 130.8 Ų | 130.8 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | trans | -116.9 | 139.6 | -172.7 | -159.3 | 75.2 | 0 | 0 | 0 | 105.5 | ||||
| 30 | F | 37.5 | Very low | 43.3 | Very low | 172 Ų | 172 | 133 Ų | 133 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | 77.9 | 113 | 164.3 | -67.1 | -69.5 | 0 | 0 | 0 | 120.5 | ||||
| 31 | K | 37.1 | Very low | 44.1 | Very low | 208 Ų | 208 | 126.4 Ų | 126.4 | 90% | 0.904 | 78% | 0.777 | S | S | * | * | -148.5 | 131 | 114.4 | -145.9 | 163.9 | -177.6 | 177.2 | 0 | 111.5 | |||||
| 32 | Q | 39.1 | Very low | 44.6 | Very low | 167 Ų | 167 | 125.3 Ų | 125.3 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | trans | -59.2 | 161.4 | 169.2 | -59.4 | 160.2 | -47.8 | 0 | 0 | 109.5 | ||||
| 33 | S | 35.5 | Very low | 45.4 | Very low | 100 Ų | 100 | 125.3 Ų | 125.3 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | cis | -175.2 | 163.2 | 40.9 | 50.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 34 | S | 36.9 | Very low | 46 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | 65.2 | 116.3 | 142 | 61.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 35 | E | 45.9 | Very low | 46.1 | Very low | 180 Ų | 180 | 127 Ų | 127 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | trans | -36.3 | 146.8 | 149.1 | -69.9 | -82.7 | 145.4 | 0 | 0 | 113.7 | ||||
| 36 | P | 49.5 | Very low | 47.1 | Very low | 110 Ų | 110 | 125.8 Ų | 125.8 | 71% | 0.714 | 75% | 0.752 | S | S | * | * | -141.8 | 137 | 111.7 | 34.2 | -18.9 | 0 | 0 | 0 | 115.1 | |||||
| 37 | S | 48.1 | Very low | 47.8 | Very low | 103 Ų | 103 | 126.1 Ų | 126.1 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | 25.4 | 105.7 | 142 | 62.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 38 | G | 46.9 | Very low | 48.5 | Very low | 78 Ų | 78 | 130.2 Ų | 130.2 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -61.6 | 131.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 39 | S | 54.9 | Low | 49 | Very low | 88 Ų | 88 | 130 Ų | 130 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | trans | -74.2 | 128.7 | 169.1 | -179.5 | 0 | 0 | 0 | 0 | 110.3 | S41 | S39-S41 PolarHBondContact O-N 3.18Å; S39-S41 PolarHBondContact OG-OG 3.07Å | ||
| 40 | L | 56.8 | Low | 49.6 | Very low | 147 Ų | 147 | 128 Ų | 128 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -63.5 | -1.2 | 179.2 | -75.5 | 163.7 | 0 | 0 | 0 | 114.6 | A42 | L40-A42 VanDerWaalsContact C-N 3.31Å; L40-A42 PolarHBondContact O-N 3.33Å |
| 41 | S | 56.5 | Low | 50.5 | Low | 87 Ų | 87 | 125.3 Ų | 125.3 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -79 | -6.1 | -179.5 | 50.5 | 0 | 0 | 0 | 0 | 114.9 | S39 L43 | S39-S41 PolarHBondContact O-N 3.18Å; S39-S41 PolarHBondContact OG-OG 3.07Å; S41-L43 VanDerWaalsContact C-N 3.3Å; S41-L43 PolarHBondContact O-N 3.3Å |
| 42 | A | 58.7 | Low | 51 | Low | 84 Ų | 84 | 120.1 Ų | 120.1 | 69% | 0.694 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -80.8 | -3.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L40 | L40-A42 VanDerWaalsContact C-N 3.31Å; L40-A42 PolarHBondContact O-N 3.33Å |
| 43 | L | 55.8 | Low | 51.4 | Low | 136 Ų | 136 | 118 Ų | 118 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -95.3 | -2.4 | -175.8 | -69.4 | 172.9 | 0 | 0 | 0 | 114.9 | S41 | S41-L43 VanDerWaalsContact C-N 3.3Å; S41-L43 PolarHBondContact O-N 3.3Å |
| 44 | F | 52 | Low | 51.7 | Low | 182 Ų | 182 | 120.9 Ų | 120.9 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | trans | -122.6 | 14.3 | -176 | -70.2 | -73.5 | 0 | 0 | 0 | 115.5 | T46 | F44-T46 PolarHBondContact O-N 2.98Š| ||
| 45 | T | 47 | Very low | 52.5 | Low | 120 Ų | 120 | 124.9 Ų | 124.9 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | -89 | 102.1 | 176.9 | -54.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 46 | T | 63.1 | Low | 52.6 | Low | 116 Ų | 116 | 124.8 Ų | 124.8 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 127.7 | 171 | 51 | 0 | 0 | 0 | 0 | 110.9 | F44 | F44-T46 PolarHBondContact O-N 2.98Š|
| 47 | P | 59.8 | Low | 52.5 | Low | 125 Ų | 125 | 124.1 Ų | 124.1 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 128 | 173.3 | 28.1 | -29.8 | 0 | 0 | 0 | 111.2 | ||
| 48 | L | 52.7 | Low | 52.5 | Low | 157 Ų | 157 | 125.4 Ų | 125.4 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -64 | 143.7 | 170.2 | -102 | 78.5 | 0 | 0 | 0 | 111 | A50 | L48-A50 PolarHBondContact O-N 2.76Š|
| 49 | P | 56.8 | Low | 52.3 | Low | 124 Ų | 124 | 127.1 Ų | 127.1 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 121.4 | 179.8 | 28.8 | -32.4 | 0 | 0 | 0 | 111.3 | ||
| 50 | A | 50.6 | Low | 51.8 | Low | 99 Ų | 99 | 132.6 Ų | 132.6 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 135.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | L48 | L48-A50 PolarHBondContact O-N 2.76Š|
| 51 | S | 56.5 | Low | 50.7 | Low | 117 Ų | 117 | 135.4 Ų | 135.4 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 141.5 | -172.3 | 43.6 | 0 | 0 | 0 | 0 | 114.8 | S53 | S51-S53 PolarHBondContact O-N 3.46Š|
| 52 | S | 47.7 | Very low | 49.3 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 120.6 | 168.3 | 53.8 | 0 | 0 | 0 | 0 | 110.5 | L54 | S52-L54 PolarHBondContact O-N 3.05Å; S52-L54 VanDerWaalsContact O-N 3.13Å |
| 53 | S | 47.3 | Very low | 48.2 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -71.4 | 103.1 | 166.3 | 39 | 0 | 0 | 0 | 0 | 109.4 | S51 F55 | S51-S53 PolarHBondContact O-N 3.46Å; S53-F55 PolarHBondContact O-N 2.74Å | ||
| 54 | L | 43.2 | Very low | 47.1 | Very low | 160 Ų | 160 | 146.7 Ų | 146.7 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -67.2 | 125.1 | 173.3 | -74.7 | 162.6 | 0 | 0 | 0 | 110 | S52 Q56 | S52-L54 PolarHBondContact O-N 3.05Å; S52-L54 VanDerWaalsContact O-N 3.13Å; L54-Q56 PolarHBondContact O-N 3.24Å | ||
| 55 | F | 53.1 | Low | 46 | Very low | 188 Ų | 188 | 147.7 Ų | 147.7 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -72 | 113.4 | 172.8 | 176.9 | -98.4 | 0 | 0 | 0 | 110 | S53 P57 | S53-F55 PolarHBondContact O-N 2.74Å; F55-P57 HydrophobicContact CE1-CB 4.19Å | ||
| 56 | Q | 48 | Very low | 45.1 | Very low | 178 Ų | 178 | 148.6 Ų | 148.6 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -100.5 | 112.6 | 175.2 | -168 | 172.8 | -7.7 | 0 | 0 | 109.9 | L54 | L54-Q56 PolarHBondContact O-N 3.24Š| ||
| 57 | P | 47.7 | Very low | 43.4 | Very low | 96 Ų | 96 | 149.2 Ų | 149.2 | 62% | 0.623 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 131.2 | 178.6 | 27.3 | -30.8 | 0 | 0 | 0 | 111.5 | F55 | F55-P57 HydrophobicContact CE1-CB 4.19Š|
| 58 | V | 48.3 | Very low | 41.9 | Very low | 130 Ų | 130 | 152.7 Ų | 152.7 | 79% | 0.788 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 130.7 | 175.4 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | K60 | V58-K60 PolarHBondContact O-N 3.37Š|
| 59 | P | 41.3 | Very low | 40.7 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 127.8 | 179.3 | 26.6 | -32.1 | 0 | 0 | 0 | 111.9 | K61 | P59-K61 PolarHBondContact O-N 3.32Š|
| 60 | K | 44.4 | Very low | 39.3 | Very low | 203 Ų | 203 | 150.9 Ų | 150.9 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 120.4 | 173.9 | -67.3 | 176.7 | -179.7 | 175.6 | 0 | 109.8 | V58 R62 | V58-K60 PolarHBondContact O-N 3.37Å; K60-R62 PolarHBondContact O-N 3.31Å |
| 61 | K | 34.1 | Very low | 38.2 | Very low | 206 Ų | 206 | 153.2 Ų | 153.2 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 117.8 | 170.4 | -73.8 | -175 | 178.3 | -177.5 | 0 | 109.8 | P59 | P59-K61 PolarHBondContact O-N 3.32Š|
| 62 | R | 28 | Very low | 36.9 | Very low | 222 Ų | 222 | 154.5 Ų | 154.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -82.9 | 109.2 | 174.4 | -175.4 | 177.8 | -172.4 | 178.4 | 1 | 108.2 | K60 Q64 | K60-R62 PolarHBondContact O-N 3.31Å; R62-Q64 PolarHBondContact O-N 3.32Å | ||
| 63 | I | 35.3 | Very low | 35.9 | Very low | 166 Ų | 166 | 156.5 Ų | 156.5 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -74.9 | 114.5 | 169 | -62.2 | 172.9 | 0 | 0 | 0 | 106.9 | ||||
| 64 | Q | 31.3 | Very low | 34.8 | Very low | 156 Ų | 156 | 158.4 Ų | 158.4 | 73% | 0.729 | 80% | 0.795 | S | S | * | * | trans | -81.7 | 137.8 | 171.1 | -63.5 | -174.2 | 19.8 | 0 | 0 | 109 | R62 | R62-Q64 PolarHBondContact O-N 3.32Š| ||
| 65 | K | 29.7 | Very low | 34.1 | Very low | 203 Ų | 203 | 158 Ų | 158 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -66.4 | 131.1 | 163.7 | -81.6 | 175.5 | 169.8 | -178.9 | 0 | 108.6 | ||||
| 66 | T | 27.4 | Very low | 32.8 | Very low | 138 Ų | 138 | 152.2 Ų | 152.2 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | trans | -125.9 | 121.4 | 149.9 | 44.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 67 | T | 28.2 | Very low | 31.8 | Very low | 129 Ų | 129 | 152.2 Ų | 152.2 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -81.8 | 152.6 | 161.5 | 19 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 68 | E | 29.1 | Very low | 30.8 | Very low | 199 Ų | 199 | 155.5 Ų | 155.5 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | 127 | 115.9 | 173.4 | -76 | 169.5 | -153.1 | 0 | 0 | 106.9 | ||||
| 69 | G | 25.9 | Very low | 29.8 | Very low | 76 Ų | 76 | 156.1 Ų | 156.1 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | cis | 123.6 | 93.5 | 22.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 70 | N | 27.5 | Very low | 29.1 | Very low | 167 Ų | 167 | 159.1 Ų | 159.1 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -168.5 | 157.1 | 141.1 | -136.3 | -9.1 | 0 | 0 | 0 | 113.6 | ||||
| 71 | E | 27.8 | Very low | 28.4 | Very low | 147 Ų | 147 | 155.3 Ų | 155.3 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | trans | -85 | 168.4 | -160.5 | -80.8 | -177.6 | 171.2 | 0 | 0 | 117.3 | ||||
| 72 | Q | 29.2 | Very low | 28.1 | Very low | 145 Ų | 145 | 154.5 Ų | 154.5 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | 92.6 | 111.7 | 141 | -82.5 | 166.7 | 42.4 | 0 | 0 | 121.4 | ||||
| 73 | Q | 27.1 | Very low | 28.2 | Very low | 140 Ų | 140 | 152.7 Ų | 152.7 | 65% | 0.654 | 80% | 0.795 | S | S | * | * | 84 | 116.8 | 123.2 | -76 | -175.9 | 25 | 0 | 0 | 122.1 | |||||
| 74 | K | 25.2 | Very low | 28 | Very low | 163 Ų | 163 | 153.5 Ų | 153.5 | 71% | 0.709 | 80% | 0.797 | S | S | * | * | 94 | 133 | 120.4 | -79.7 | -175 | -177.6 | -177.8 | 0 | 120.9 | |||||
| 75 | D | 27.3 | Very low | 27.9 | Very low | 152 Ų | 152 | 155.6 Ų | 155.6 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | 84 | 128 | 146.1 | -56.7 | -19.6 | 0 | 0 | 0 | 121.2 | ||||
| 76 | G | 26 | Very low | 27.9 | Very low | 65 Ų | 65 | 153.8 Ų | 153.8 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | trans | 102 | 95.6 | 131.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 77 | L | 26.7 | Very low | 28.2 | Very low | 178 Ų | 178 | 156.5 Ų | 156.5 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | 60.7 | 146 | 126 | -72.8 | 156.2 | 0 | 0 | 0 | 122.7 | |||||
| 78 | E | 26.7 | Very low | 28.5 | Very low | 166 Ų | 166 | 156 Ų | 156 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | 83.6 | 92.2 | 163 | -68.1 | -163.8 | 152.3 | 0 | 0 | 120.5 | K80 | E78-K80 PolarHBondContact O-N 3.29Š| ||
| 79 | V | 27.4 | Very low | 29.3 | Very low | 142 Ų | 142 | 154.6 Ų | 154.6 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | -71 | 99.6 | 156.9 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | V81 | V79-V81 HydrophobicContact CG1-CG2 4.05Š| ||
| 80 | K | 26.3 | Very low | 30.2 | Very low | 178 Ų | 178 | 162 Ų | 162 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | trans | -94.8 | 101.3 | 164.8 | -129.2 | 169.8 | -171.8 | 159.9 | 0 | 109.3 | E78 K82 | E78-K80 PolarHBondContact O-N 3.29Å; K80-K82 PolarHBondContact O-N 3.07Å | ||
| 81 | V | 29.3 | Very low | 31.3 | Very low | 124 Ų | 124 | 163.8 Ų | 163.8 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -68.1 | 101.3 | 171.5 | 179.1 | 0 | 0 | 0 | 0 | 108.8 | V79 | V79-V81 HydrophobicContact CG1-CG2 4.05Š| ||
| 82 | K | 28.7 | Very low | 32.6 | Very low | 188 Ų | 188 | 160 Ų | 160 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | -91.5 | 110.3 | 163.2 | -93.2 | -178.8 | 176.6 | 175.5 | 0 | 109.2 | K80 M84 | K80-K82 PolarHBondContact O-N 3.07Å; K82-M84 PolarHBondContact O-N 3.05Å | ||
| 83 | Q | 31.1 | Very low | 34.6 | Very low | 184 Ų | 184 | 156.2 Ų | 156.2 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 119.9 | 168.2 | -70 | 176.6 | -14.5 | 0 | 0 | 110.7 | ||
| 84 | M | 29.3 | Very low | 36.5 | Very low | 184 Ų | 184 | 154.4 Ų | 154.4 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -87 | 116.8 | 166.4 | -82.3 | -164.7 | 153.1 | 0 | 0 | 109.8 | K82 | K82-M84 PolarHBondContact O-N 3.05Š|
| 85 | K | 29.1 | Very low | 38.3 | Very low | 199 Ų | 199 | 149.4 Ų | 149.4 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 130.7 | 174.4 | -64.3 | 174.7 | 176.7 | 179.7 | 0 | 110.6 | K87 | K85-K87 PolarHBondContact O-N 2.75Š|
| 86 | N | 31.1 | Very low | 40.1 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 89% | 0.888 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 121 | 172.1 | -78.2 | -22.6 | 0 | 0 | 0 | 110.8 | ||
| 87 | K | 33.9 | Very low | 42.1 | Very low | 194 Ų | 194 | 147.3 Ų | 147.3 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -79 | 143.3 | 166.3 | -73.4 | 179.6 | 179.2 | 176.7 | 0 | 109.3 | K85 | K85-K87 PolarHBondContact O-N 2.75Š|
| 88 | P | 34.8 | Very low | 44 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 141.1 | -175.4 | 28.3 | -33.2 | 0 | 0 | 0 | 111.6 | R90 | P88-R90 PolarHBondContact O-N 2.73Š|
| 89 | I | 44.1 | Very low | 45.9 | Very low | 169 Ų | 169 | 141.6 Ų | 141.6 | 87% | 0.867 | 71% | 0.707 | S | S | * | * | trans | -57.9 | 113.4 | 176.6 | -65.1 | 160.7 | 0 | 0 | 0 | 108.7 | K91 | I89-K91 PolarHBondContact O-N 3.01Š| ||
| 90 | R | 44.9 | Very low | 47.6 | Very low | 231 Ų | 231 | 139.1 Ų | 139.1 | 87% | 0.872 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 125.9 | 170.8 | -74.6 | -179.4 | 170.7 | 176.7 | -4.2 | 108.3 | P88 T92 | P88-R90 PolarHBondContact O-N 2.73Å; R90-T92 PolarHBondContact O-N 3.29Å |
| 91 | K | 52.3 | Low | 49.6 | Very low | 204 Ų | 204 | 133.6 Ų | 133.6 | 89% | 0.887 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 118 | 169.6 | -64.9 | 177.9 | -178.7 | 177.6 | 0 | 107.3 | I89 S93 | I89-K91 PolarHBondContact O-N 3.01Å; K91-S93 PolarHBondContact O-N 3.27Å |
| 92 | T | 54.5 | Low | 51.2 | Low | 69 Ų | 69 | 134.1 Ų | 134.1 | 42% | 0.423 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 133.1 | 176.8 | 46.5 | 0 | 0 | 0 | 0 | 109.3 | R90 E96 | R90-T92 PolarHBondContact O-N 3.29Å; T92-E96 WeakPolarHBondContact CA-OE2 3.21Å; T92-E96 HydrophobicContact CG2-CG 4.45Å |
| 93 | S | 70.9 | Confident | 52.5 | Low | 64 Ų | 64 | 130.1 Ų | 130.1 | 45% | 0.448 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -64.4 | 156.9 | 179 | 68 | 0 | 0 | 0 | 0 | 110.8 | K91 A95 E96 E97 | K91-S93 PolarHBondContact O-N 3.27Å; S93-A95 PolarHBondContact O-N 2.93Å; S93-A95 VanDerWaalsContact O-N 3.14Å; S93-E96 PolarHBondContact N-OE2 2.99Å; S93-E96 WeakPolarHBondContact O-CA 3.39Å; S93-E96 WeakPolarHBondContact O-CB 3.18Å; S93-E96 PolarHBondContact O-N 3.5Å; S93-E96 WeakPolarHBondContact OG-CB 3.25Å; S93-E96 PolarHBondContact OG-N 3.25Å; S93-E97 PolarHBondContact O-N 2.89Å |
| 94 | V | 67.3 | Low | 53.9 | Low | 103 Ų | 103 | 123.9 Ų | 123.9 | 62% | 0.624 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -55.4 | -34 | 178.7 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | Q98 | V94-Q98 WeakPolarHBondContact O-CB 3.34Å; V94-Q98 VanDerWaalsContact O-CG 3.23Å; V94-Q98 WeakPolarHBondContact O-CG 3.46Å; V94-Q98 PolarHBondContact O-N 3.37Å |
| 95 | A | 61.5 | Low | 55.2 | Low | 57 Ų | 57 | 116.9 Ų | 116.9 | 47% | 0.471 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.8 | -37.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S93 Q98 L99 | S93-A95 PolarHBondContact O-N 2.93Å; S93-A95 VanDerWaalsContact O-N 3.14Å; A95-Q98 PolarHBondContact O-N 3.14Å; A95-L99 WeakPolarHBondContact O-CB 3.47Å; A95-L99 WeakPolarHBondContact O-CG 3.49Å; A95-L99 PolarHBondContact O-N 2.96Å |
| 96 | E | 66.9 | Low | 56.2 | Low | 97 Ų | 97 | 111.1 Ų | 111.1 | 45% | 0.453 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72.1 | -36.8 | 179.1 | -157.9 | 169.1 | -156.1 | 0 | 0 | 111.2 | T92 S93 L99 L100 | T92-E96 WeakPolarHBondContact CA-OE2 3.21Å; T92-E96 HydrophobicContact CG2-CG 4.45Å; S93-E96 PolarHBondContact N-OE2 2.99Å; S93-E96 WeakPolarHBondContact O-CA 3.39Å; S93-E96 WeakPolarHBondContact O-CB 3.18Å; S93-E96 PolarHBondContact O-N 3.5Å; S93-E96 WeakPolarHBondContact OG-CB 3.25Å; S93-E96 PolarHBondContact OG-N 3.25Å; E96-L99 PolarHBondContact O-N 3.23Å; E96-L100 WeakPolarHBondContact O-CB 3.45Å; E96-L100 VanDerWaalsContact O-CG 3.28Å; E96-L100 WeakPolarHBondContact O-CG 3.34Å; E96-L100 PolarHBondContact O-N 3.34Å |
| 97 | E | 67.1 | Low | 56.9 | Low | 76 Ų | 76 | 109.6 Ų | 109.6 | 36% | 0.355 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.2 | -38 | 169 | -70.9 | -156.1 | 134.3 | 0 | 0 | 112.8 | S93 N101 K172 | S93-E97 PolarHBondContact O-N 2.89Å; E97-N101 VanDerWaalsContact O-CB 3.31Å; E97-N101 WeakPolarHBondContact O-CB 3.39Å; E97-N101 PolarHBondContact O-N 2.86Å; E97-N101 PolarHBondContact O-ND2 3.34Å; E97-K172 IonicContact OE1-NZ 3.26Å; E97-K172 PolarHBondContact OE1-NZ 3.17Å; E97-K172 IonicContact OE2-NZ 2.68Å; E97-K172 PolarHBondContact OE2-NZ 3.38Å |
| 98 | Q | 67.1 | Low | 57.8 | Low | 128 Ų | 128 | 103.2 Ų | 103.2 | 60% | 0.598 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.4 | -39 | 176.3 | -76.3 | 176 | 1 | 0 | 0 | 111.7 | V94 A95 R102 | V94-Q98 WeakPolarHBondContact O-CB 3.34Å; V94-Q98 VanDerWaalsContact O-CG 3.23Å; V94-Q98 WeakPolarHBondContact O-CG 3.46Å; V94-Q98 PolarHBondContact O-N 3.37Å; A95-Q98 PolarHBondContact O-N 3.14Å; Q98-R102 VanDerWaalsContact O-CB 3.3Å; Q98-R102 WeakPolarHBondContact O-CB 3.09Å; Q98-R102 PolarHBondContact O-N 3.16Å |
| 99 | L | 65.3 | Low | 58.3 | Low | 97 Ų | 97 | 98.4 Ų | 98.4 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.3 | -47.6 | 173.6 | -75.5 | 169.9 | 0 | 0 | 0 | 111.3 | A95 E96 N101 R102 E103 | A95-L99 WeakPolarHBondContact O-CB 3.47Å; A95-L99 WeakPolarHBondContact O-CG 3.49Å; A95-L99 PolarHBondContact O-N 2.96Å; E96-L99 PolarHBondContact O-N 3.23Å; L99-N101 VanDerWaalsContact C-N 3.33Å; L99-N101 PolarHBondContact O-N 3.44Å; L99-R102 CarbonylContact O-C 3.6Å; L99-R102 WeakPolarHBondContact O-CA 3.27Å; L99-R102 WeakPolarHBondContact O-CB 3.31Å; L99-R102 PolarHBondContact O-N 3.05Å; L99-E103 WeakPolarHBondContact O-CB 3.41Å; L99-E103 VanDerWaalsContact O-CG 3.31Å; L99-E103 WeakPolarHBondContact O-CG 3.37Å; L99-E103 PolarHBondContact O-N 3.23Å |
| 100 | L | 64.6 | Low | 58 | Low | 90 Ų | 90 | 94.8 Ų | 94.8 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 176.4 | -75.1 | 165.6 | 0 | 0 | 0 | 112.6 | E96 R102 E103 S104 | E96-L100 WeakPolarHBondContact O-CB 3.45Å; E96-L100 VanDerWaalsContact O-CG 3.28Å; E96-L100 WeakPolarHBondContact O-CG 3.34Å; E96-L100 PolarHBondContact O-N 3.34Å; L100-R102 VanDerWaalsContact C-N 3.34Å; L100-E103 PolarHBondContact O-N 3.25Å; L100-S104 VanDerWaalsContact O-CB 3.3Å; L100-S104 WeakPolarHBondContact O-CB 3.37Å; L100-S104 PolarHBondContact O-N 3.31Å; L100-S104 PolarHBondContact O-OG 3.31Å |
| 101 | N | 66.9 | Low | 58.3 | Low | 62 Ų | 62 | 87.9 Ų | 87.9 | 33% | 0.332 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.9 | -36.8 | 173.4 | -74.7 | -24.7 | 0 | 0 | 0 | 111.9 | E97 L99 S104 S105 | E97-N101 VanDerWaalsContact O-CB 3.31Å; E97-N101 WeakPolarHBondContact O-CB 3.39Å; E97-N101 PolarHBondContact O-N 2.86Å; E97-N101 PolarHBondContact O-ND2 3.34Å; L99-N101 VanDerWaalsContact C-N 3.33Å; L99-N101 PolarHBondContact O-N 3.44Å; N101-S104 WeakPolarHBondContact CA-OG 3.44Å; N101-S104 PolarHBondContact O-OG 3.05Å; N101-S104 VanDerWaalsContact O-OG 3.08Å; N101-S105 VanDerWaalsContact O-CB 3.26Å; N101-S105 WeakPolarHBondContact O-CB 3.44Å; N101-S105 PolarHBondContact O-N 3.31Å; N101-S105 VanDerWaalsContact O-N 3.09Å; N101-S105 PolarHBondContact O-OG 2.85Å |
| 102 | R | 64.1 | Low | 58 | Low | 135 Ų | 135 | 83.4 Ų | 83.4 | 51% | 0.509 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.1 | -42.8 | 176.1 | -176.8 | -179.6 | 169.4 | 86.7 | 0.9 | 111.4 | Q98 L99 L100 S105 L106 | Q98-R102 VanDerWaalsContact O-CB 3.3Å; Q98-R102 WeakPolarHBondContact O-CB 3.09Å; Q98-R102 PolarHBondContact O-N 3.16Å; L99-R102 CarbonylContact O-C 3.6Å; L99-R102 WeakPolarHBondContact O-CA 3.27Å; L99-R102 WeakPolarHBondContact O-CB 3.31Å; L99-R102 PolarHBondContact O-N 3.05Å; L100-R102 VanDerWaalsContact C-N 3.34Å; R102-S105 WeakPolarHBondContact O-CB 3.24Å; R102-S105 PolarHBondContact O-N 3.41Å; R102-L106 HydrophobicContact CG-CD1 4.43Å; R102-L106 WeakPolarHBondContact O-CG 3.45Å; R102-L106 PolarHBondContact O-N 3.48Å |
| 103 | E | 55.1 | Low | 57.6 | Low | 103 Ų | 103 | 85.3 Ų | 85.3 | 48% | 0.481 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.2 | -45.3 | 178.8 | -73 | 176.3 | 174.4 | 0 | 0 | 111.9 | L99 L100 S105 L106 L107 | L99-E103 WeakPolarHBondContact O-CB 3.41Å; L99-E103 VanDerWaalsContact O-CG 3.31Å; L99-E103 WeakPolarHBondContact O-CG 3.37Å; L99-E103 PolarHBondContact O-N 3.23Å; L100-E103 PolarHBondContact O-N 3.25Å; E103-S105 VanDerWaalsContact C-N 3.28Å; E103-S105 PolarHBondContact O-N 3.15Å; E103-L106 WeakPolarHBondContact O-CB 3.49Å; E103-L106 PolarHBondContact O-N 3.41Å; E103-L106 VanDerWaalsContact O-N 3.1Å; E103-L107 PolarHBondContact O-N 3.35Å |
| 104 | S | 61.3 | Low | 56.1 | Low | 54 Ų | 54 | 86.3 Ų | 86.3 | 38% | 0.378 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.1 | -34 | 172.8 | 54.9 | 0 | 0 | 0 | 0 | 112.7 | L100 N101 T108 | L100-S104 VanDerWaalsContact O-CB 3.3Å; L100-S104 WeakPolarHBondContact O-CB 3.37Å; L100-S104 PolarHBondContact O-N 3.31Å; L100-S104 PolarHBondContact O-OG 3.31Å; N101-S104 WeakPolarHBondContact CA-OG 3.44Å; N101-S104 PolarHBondContact O-OG 3.05Å; N101-S104 VanDerWaalsContact O-OG 3.08Å; S104-T108 WeakPolarHBondContact O-CG2 3.46Å; S104-T108 PolarHBondContact O-N 3.26Å; S104-T108 VanDerWaalsContact O-N 3.13Å; S104-T108 PolarHBondContact O-OG1 3.27Å |
| 105 | S | 56.2 | Low | 55 | Low | 36 Ų | 36 | 86.3 Ų | 86.3 | 25% | 0.252 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.7 | -29.4 | 172.6 | -61.5 | 0 | 0 | 0 | 0 | 113.2 | N101 R102 E103 T108 A109 | N101-S105 VanDerWaalsContact O-CB 3.26Å; N101-S105 WeakPolarHBondContact O-CB 3.44Å; N101-S105 PolarHBondContact O-N 3.31Å; N101-S105 VanDerWaalsContact O-N 3.09Å; N101-S105 PolarHBondContact O-OG 2.85Å; R102-S105 WeakPolarHBondContact O-CB 3.24Å; R102-S105 PolarHBondContact O-N 3.41Å; E103-S105 VanDerWaalsContact C-N 3.28Å; E103-S105 PolarHBondContact O-N 3.15Å; S105-T108 PolarHBondContact O-OG1 3.46Å; S105-A109 WeakPolarHBondContact O-CB 3.48Å |
| 106 | L | 51 | Low | 54 | Low | 78 Ų | 78 | 91.5 Ų | 91.5 | 41% | 0.408 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -74.7 | -46.5 | 174 | -74.5 | 166.3 | 0 | 0 | 0 | 111.2 | R102 E103 T108 A109 I206 | R102-L106 HydrophobicContact CG-CD1 4.43Å; R102-L106 WeakPolarHBondContact O-CG 3.45Å; R102-L106 PolarHBondContact O-N 3.48Å; E103-L106 WeakPolarHBondContact O-CB 3.49Å; E103-L106 PolarHBondContact O-N 3.41Å; E103-L106 VanDerWaalsContact O-N 3.1Å; L106-T108 VanDerWaalsContact C-N 3.34Å; L106-T108 PolarHBondContact O-N 3.4Å; L106-A109 WeakPolarHBondContact O-CB 3.44Å; L106-A109 PolarHBondContact O-N 2.99Å; L106-A109 VanDerWaalsContact O-N 3.14Å; L106-I206 HydrophobicContact CD2-CD1 3.93Å; L106-I206 HydrophobicContact CG-CD1 4.19Å |
| 107 | L | 46.2 | Very low | 52.7 | Low | 134 Ų | 134 | 94.6 Ų | 94.6 | 70% | 0.702 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60 | -38.5 | 178.8 | -86.8 | 150.2 | 0 | 0 | 0 | 113.3 | E103 A109 | E103-L107 PolarHBondContact O-N 3.35Å; L107-A109 PolarHBondContact O-N 2.9Å |
| 108 | T | 51.4 | Low | 51.4 | Low | 61 Ų | 61 | 93.7 Ų | 93.7 | 37% | 0.374 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -13.2 | 180 | 45.9 | 0 | 0 | 0 | 0 | 113.8 | S104 S105 L106 T111 | S104-T108 WeakPolarHBondContact O-CG2 3.46Å; S104-T108 PolarHBondContact O-N 3.26Å; S104-T108 VanDerWaalsContact O-N 3.13Å; S104-T108 PolarHBondContact O-OG1 3.27Å; S105-T108 PolarHBondContact O-OG1 3.46Å; L106-T108 VanDerWaalsContact C-N 3.34Å; L106-T108 PolarHBondContact O-N 3.4Å; T108-T111 PolarHBondContact O-OG1 3.33Å |
| 109 | A | 44.9 | Very low | 50.2 | Low | 19 Ų | 19 | 90.7 Ų | 90.7 | 16% | 0.157 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -26.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S105 L106 L107 T111 K202 | S105-A109 WeakPolarHBondContact O-CB 3.48Å; L106-A109 WeakPolarHBondContact O-CB 3.44Å; L106-A109 PolarHBondContact O-N 2.99Å; L106-A109 VanDerWaalsContact O-N 3.14Å; L107-A109 PolarHBondContact O-N 2.9Å; A109-T111 PolarHBondContact O-N 2.62Å; A109-K202 HydrophobicContact CB-CB 3.85Å; A109-K202 HydrophobicContact CB-CD 3.3Å; A109-K202 VanDerWaalsContact CB-CE 3.45Å; A109-K202 HydrophobicContact CB-CG 3.52Å; A109-K202 WeakPolarHBondContact O-CE 3.46Å; A109-K202 PolarHBondContact O-NZ 3.19Å |
| 110 | D | 38.8 | Very low | 48.8 | Very low | 92 Ų | 92 | 92.5 Ų | 92.5 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -3.6 | -178.6 | -72.1 | -15.6 | 0 | 0 | 0 | 115.7 | K202 | D110-K202 VanDerWaalsContact CA-NZ 3.27Å; D110-K202 IonicContact OD1-NZ 3.37Å; D110-K202 PolarHBondContact OD1-NZ 2.87Å |
| 111 | T | 51.3 | Low | 47.7 | Very low | 87 Ų | 87 | 98.5 Ų | 98.5 | 53% | 0.534 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -12 | -174.9 | 47.3 | 0 | 0 | 0 | 0 | 115.8 | T108 A109 | T108-T111 PolarHBondContact O-OG1 3.33Å; A109-T111 PolarHBondContact O-N 2.62Å |
| 112 | D | 45.6 | Very low | 46.6 | Very low | 110 Ų | 110 | 103.8 Ų | 103.8 | 59% | 0.588 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -120.6 | -9 | -170.6 | -82.4 | -44.1 | 0 | 0 | 0 | 117.5 | R190 | D112-R190 IonicContact OD2-CZ 3.93Å; D112-R190 IonicContact OD2-NH1 2.88Å; D112-R190 IonicContact OD2-NH2 3.78Å; D112-R190 PolarHBondContact OD2-NH2 3.09Å |
| 113 | E | 46.1 | Very low | 45.7 | Very low | 108 Ų | 108 | 103.6 Ų | 103.6 | 51% | 0.505 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -116.7 | -25.7 | 180 | -69.9 | -102.1 | 161.2 | 0 | 0 | 114.2 | R201 | E113-R201 IonicContact OE1-NH1 3.07Å; E113-R201 PolarHBondContact OE1-NH1 2.97Å |
| 114 | D | 39.7 | Very low | 45.2 | Very low | 85 Ų | 85 | 109.3 Ų | 109.3 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -92.1 | -14.5 | -175.7 | -79.2 | -56.6 | 0 | 0 | 0 | 115.2 | Q116 S118 | D114-Q116 VanDerWaalsContact C-N 3.29Å; D114-Q116 PolarHBondContact O-N 3.18Å; D114-S118 WeakPolarHBondContact O-CB 3.39Å; D114-S118 PolarHBondContact O-N 3.36Å; D114-S118 PolarHBondContact O-OG 3.32Å |
| 115 | V | 43.3 | Very low | 44.2 | Very low | 103 Ų | 103 | 116.1 Ų | 116.1 | 62% | 0.624 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.2 | -30.5 | -178 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | S119 | V115-S119 WeakPolarHBondContact O-CB 3.43Å; V115-S119 PolarHBondContact O-OG 3.5Å |
| 116 | Q | 41.1 | Very low | 43.4 | Very low | 166 Ų | 166 | 118.3 Ų | 118.3 | 78% | 0.776 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -90.3 | -35.2 | 179 | -71.8 | -150.2 | -17.9 | 0 | 0 | 114.6 | D114 S119 | D114-Q116 VanDerWaalsContact C-N 3.29Å; D114-Q116 PolarHBondContact O-N 3.18Å; Q116-S119 PolarHBondContact O-OG 3.29Å |
| 117 | K | 39.5 | Very low | 43 | Very low | 162 Ų | 162 | 119.3 Ų | 119.3 | 70% | 0.704 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -86.2 | -39 | -179.2 | -90.1 | 177.8 | 177.2 | 173.9 | 0 | 113.5 | M120 R121 | K117-M120 PolarHBondContact O-N 3.44Å; K117-R121 PolarHBondContact O-N 3.34Å |
| 118 | S | 39.4 | Very low | 42.9 | Very low | 58 Ų | 58 | 121.4 Ų | 121.4 | 41% | 0.406 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -71.7 | -32.2 | 179.1 | 75.8 | 0 | 0 | 0 | 0 | 112.2 | D114 R121 K122 | D114-S118 WeakPolarHBondContact O-CB 3.39Å; D114-S118 PolarHBondContact O-N 3.36Å; D114-S118 PolarHBondContact O-OG 3.32Å; S118-R121 PolarHBondContact O-N 3.35Å; S118-K122 PolarHBondContact O-N 2.78Å |
| 119 | S | 41.4 | Very low | 42.7 | Very low | 64 Ų | 64 | 125.5 Ų | 125.5 | 45% | 0.448 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67.5 | -34.9 | 176.4 | 63.1 | 0 | 0 | 0 | 0 | 112.5 | V115 Q116 K123 | V115-S119 WeakPolarHBondContact O-CB 3.43Å; V115-S119 PolarHBondContact O-OG 3.5Å; Q116-S119 PolarHBondContact O-OG 3.29Å; S119-K123 WeakPolarHBondContact O-CB 3.43Å; S119-K123 PolarHBondContact O-N 2.88Å |
| 120 | M | 37.8 | Very low | 42.4 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 67% | 0.67 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -69.8 | -38.3 | 172.1 | -81.2 | -143.3 | -74.9 | 0 | 0 | 112.6 | K117 K123 | K117-M120 PolarHBondContact O-N 3.44Å; M120-K123 PolarHBondContact O-N 3.49Å |
| 121 | R | 41.3 | Very low | 43 | Very low | 215 Ų | 215 | 130 Ų | 130 | 81% | 0.811 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -78.8 | -34.3 | -174.2 | -161.7 | 169.1 | 157 | -173.5 | -6.6 | 113.1 | K117 S118 | K117-R121 PolarHBondContact O-N 3.34Å; S118-R121 PolarHBondContact O-N 3.35Å |
| 122 | K | 42.9 | Very low | 42.8 | Very low | 174 Ų | 174 | 135 Ų | 135 | 76% | 0.757 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -71.4 | -28.2 | 169.7 | -101.4 | 176 | 175.1 | 173.2 | 0 | 113 | S118 R124 K125 | S118-K122 PolarHBondContact O-N 2.78Å; K122-R124 PolarHBondContact O-N 3.2Å; K122-K125 PolarHBondContact O-N 2.97Å |
| 123 | K | 45.3 | Very low | 43.3 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 57% | 0.565 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -72.6 | -23.8 | -177 | -171.9 | 176.2 | -176.9 | -171.6 | 0 | 114.1 | S119 M120 K125 | S119-K123 WeakPolarHBondContact O-CB 3.43Å; S119-K123 PolarHBondContact O-N 2.88Å; M120-K123 PolarHBondContact O-N 3.49Å; K123-K125 VanDerWaalsContact C-N 3.31Å |
| 124 | R | 44.5 | Very low | 44.2 | Very low | 224 Ų | 224 | 133.3 Ų | 133.3 | 85% | 0.845 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -15.5 | 176 | -65.4 | -177 | 78.3 | 153.9 | 2.1 | 113.8 | K122 | K122-R124 PolarHBondContact O-N 3.2Š|
| 125 | K | 40.6 | Very low | 45.7 | Very low | 196 Ų | 196 | 132.5 Ų | 132.5 | 85% | 0.852 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -106.7 | -4 | -174.5 | -151.1 | 165.5 | -177.4 | 175.7 | 0 | 114.1 | K122 K123 | K122-K125 PolarHBondContact O-N 2.97Å; K123-K125 VanDerWaalsContact C-N 3.31Å |
| 126 | A | 40 | Very low | 47.2 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 68% | 0.678 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -111.9 | 3.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 127 | S | 41.9 | Very low | 48.8 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 70% | 0.699 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -96.6 | 9.9 | -176.8 | 57.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 128 | E | 43.9 | Very low | 50.7 | Low | 178 Ų | 178 | 130.3 Ų | 130.3 | 83% | 0.832 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -110.5 | -0.5 | -172.6 | -146.3 | 162.6 | -148.8 | 0 | 0 | 113.9 | ||
| 129 | I | 47.6 | Very low | 52.8 | Low | 146 Ų | 146 | 131.3 Ų | 131.3 | 75% | 0.749 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -138.1 | 124.7 | -179.1 | -54 | 175.9 | 0 | 0 | 0 | 109 | ||
| 130 | T | 39.1 | Very low | 54.5 | Low | 132 Ų | 132 | 134.5 Ų | 134.5 | 81% | 0.81 | 68% | 0.682 | S | S | * | * | trans | 75.9 | 94.9 | 179.2 | 69.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 131 | G | 51.4 | Low | 56.6 | Low | 74 Ų | 74 | 131.7 Ų | 131.7 | 76% | 0.763 | 67% | 0.666 | S | S | * | * | trans | -75 | 116.5 | 152 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 132 | E | 46.5 | Very low | 58.5 | Low | 191 Ų | 191 | 129.9 Ų | 129.9 | 89% | 0.893 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -171 | 127.1 | 147.9 | -101.2 | 162.3 | -155.4 | 0 | 0 | 107.9 | ||
| 133 | N | 55.4 | Low | 60.3 | Low | 99 Ų | 99 | 127.5 Ų | 127.5 | 53% | 0.529 | 65% | 0.65 | S | S | . | * | trans | 51.8 | 69.1 | 178.1 | -72.6 | -7.2 | 0 | 0 | 0 | 119.8 | A135 E136 Y137 | N133-A135 PolarHBondContact O-N 3.21Å; N133-A135 VanDerWaalsContact O-N 3.14Å; N133-E136 HydrophobicContact CB-CB 4.34Å; N133-E136 HydrophobicContact CB-CG 4.32Å; N133-E136 WeakPolarHBondContact CB-OE2 3.16Å; N133-E136 PolarHBondContact ND2-OE2 3.4Å; N133-E136 PolarHBondContact O-N 3.42Å; N133-Y137 PolarHBondContact O-N 3.23Å | ||
| 134 | S | 66.1 | Low | 62.1 | Low | 85 Ų | 85 | 129.1 Ų | 129.1 | 59% | 0.594 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -45.5 | -40.7 | 162.4 | 177.5 | 0 | 0 | 0 | 0 | 113.2 | W138 | S134-W138 PolarHBondContact O-N 2.7Å; S134-W138 VanDerWaalsContact O-N 3.11Å; S134-W138 PolarHBondContact OG-NE1 2.83Å |
| 135 | A | 71.3 | Confident | 63.6 | Low | 67 Ų | 67 | 124.2 Ų | 124.2 | 55% | 0.554 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.1 | -44.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N133 W138 V139 | N133-A135 PolarHBondContact O-N 3.21Å; N133-A135 VanDerWaalsContact O-N 3.14Å; A135-W138 PolarHBondContact O-N 3.18Å; A135-V139 VanDerWaalsContact O-CG2 3.25Å; A135-V139 WeakPolarHBondContact O-CG2 3.27Å; A135-V139 PolarHBondContact O-N 3.06Å |
| 136 | E | 73.9 | Confident | 65.5 | Low | 126 Ų | 126 | 121 Ų | 121 | 59% | 0.589 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.1 | -40.3 | -178.2 | -70.3 | 174.7 | 155.7 | 0 | 0 | 111.5 | N133 W138 V139 M140 | N133-E136 HydrophobicContact CB-CB 4.34Å; N133-E136 HydrophobicContact CB-CG 4.32Å; N133-E136 WeakPolarHBondContact CB-OE2 3.16Å; N133-E136 PolarHBondContact ND2-OE2 3.4Å; N133-E136 PolarHBondContact O-N 3.42Å; E136-W138 PolarHBondContact O-N 3.17Å; E136-V139 PolarHBondContact O-N 3Å; E136-M140 WeakPolarHBondContact O-CB 3.41Å; E136-M140 PolarHBondContact O-N 2.92Å |
| 137 | Y | 74.9 | Confident | 67.4 | Low | 128 Ų | 128 | 119.6 Ų | 119.6 | 50% | 0.502 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -58.6 | -45.4 | 171.5 | 174.1 | -95.1 | 0 | 0 | 0 | 112 | N133 V139 K141 | N133-Y137 PolarHBondContact O-N 3.23Å; Y137-V139 VanDerWaalsContact C-N 3.34Å; Y137-V139 PolarHBondContact O-N 3.04Å; Y137-K141 HydrophobicContact CE1-CD 3.8Å; Y137-K141 WeakPolarHBondContact O-CB 3.2Å; Y137-K141 PolarHBondContact O-N 3.27Å; Y137-K141 PolarHBondContact OH-NZ 2.97Å; Y137-K141 VanDerWaalsContact OH-NZ 3.07Å |
| 138 | W | 79.1 | Confident | 69.4 | Low | 131 Ų | 131 | 118.4 Ų | 118.4 | 50% | 0.496 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.5 | -33.5 | 177.7 | -73.3 | 118 | 0 | 0 | 0 | 112.8 | S134 A135 E136 K141 R142 | S134-W138 PolarHBondContact O-N 2.7Å; S134-W138 VanDerWaalsContact O-N 3.11Å; S134-W138 PolarHBondContact OG-NE1 2.83Å; A135-W138 PolarHBondContact O-N 3.18Å; E136-W138 PolarHBondContact O-N 3.17Å; W138-K141 HydrophobicContact CE3-CD 4.13Å; W138-K141 HydrophobicContact CZ3-CD 4.11Å; W138-R142 VanDerWaalsContact O-CB 3.23Å; W138-R142 WeakPolarHBondContact O-CB 3.23Å; W138-R142 PolarHBondContact O-N 3.12Å |
| 139 | V | 83.1 | Confident | 71.4 | Confident | 80 Ų | 80 | 117.2 Ų | 117.2 | 49% | 0.485 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.2 | -51.4 | 174.3 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | A135 E136 Y137 K141 R142 Q143 | A135-V139 VanDerWaalsContact O-CG2 3.25Å; A135-V139 WeakPolarHBondContact O-CG2 3.27Å; A135-V139 PolarHBondContact O-N 3.06Å; E136-V139 PolarHBondContact O-N 3Å; Y137-V139 VanDerWaalsContact C-N 3.34Å; Y137-V139 PolarHBondContact O-N 3.04Å; V139-K141 VanDerWaalsContact C-N 3.33Å; V139-K141 PolarHBondContact O-N 3.14Å; V139-R142 PolarHBondContact O-N 3.44Å; V139-Q143 WeakPolarHBondContact O-CG 2.98Å; V139-Q143 PolarHBondContact O-N 3.35Å |
| 140 | M | 77.8 | Confident | 73.1 | Confident | 131 Ų | 131 | 116.6 Ų | 116.6 | 65% | 0.645 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.5 | -40.1 | 178.7 | -170.8 | 162.3 | 69.2 | 0 | 0 | 111.6 | E136 Q143 K144 | E136-M140 WeakPolarHBondContact O-CB 3.41Å; E136-M140 PolarHBondContact O-N 2.92Å; M140-Q143 PolarHBondContact O-N 3.17Å; M140-K144 WeakPolarHBondContact O-CB 3.45Å; M140-K144 PolarHBondContact O-N 2.95Å |
| 141 | K | 82.4 | Confident | 75.4 | Confident | 76 Ų | 76 | 114.7 Ų | 114.7 | 33% | 0.33 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.6 | -41 | 174.2 | -171.9 | 172.6 | -166.5 | 161.4 | 0 | 112.6 | Y137 W138 V139 L145 | Y137-K141 HydrophobicContact CE1-CD 3.8Å; Y137-K141 WeakPolarHBondContact O-CB 3.2Å; Y137-K141 PolarHBondContact O-N 3.27Å; Y137-K141 PolarHBondContact OH-NZ 2.97Å; Y137-K141 VanDerWaalsContact OH-NZ 3.07Å; W138-K141 HydrophobicContact CE3-CD 4.13Å; W138-K141 HydrophobicContact CZ3-CD 4.11Å; V139-K141 VanDerWaalsContact C-N 3.33Å; V139-K141 PolarHBondContact O-N 3.14Å; K141-L145 WeakPolarHBondContact O-CB 3.43Å; K141-L145 PolarHBondContact O-N 3.29Å |
| 142 | R | 80.8 | Confident | 77 | Confident | 177 Ų | 177 | 116 Ų | 116 | 67% | 0.668 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.2 | -41.1 | 175.9 | -177 | -176 | -67.6 | -154.4 | -1.3 | 111.2 | W138 V139 L145 K146 | W138-R142 VanDerWaalsContact O-CB 3.23Å; W138-R142 WeakPolarHBondContact O-CB 3.23Å; W138-R142 PolarHBondContact O-N 3.12Å; V139-R142 PolarHBondContact O-N 3.44Å; R142-L145 PolarHBondContact O-N 2.89Å; R142-K146 WeakPolarHBondContact O-CG 3.37Å; R142-K146 PolarHBondContact O-N 3.41Å |
| 143 | Q | 80.9 | Confident | 78.9 | Confident | 124 Ų | 124 | 109 Ų | 109 | 58% | 0.579 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.4 | -47.6 | 175 | -73.7 | 177.7 | 0.9 | 0 | 0 | 111.2 | V139 M140 L145 K146 A147 | V139-Q143 WeakPolarHBondContact O-CG 2.98Å; V139-Q143 PolarHBondContact O-N 3.35Å; M140-Q143 PolarHBondContact O-N 3.17Å; Q143-L145 VanDerWaalsContact C-N 3.3Å; Q143-L145 PolarHBondContact O-N 2.96Å; Q143-K146 WeakPolarHBondContact O-CB 3.47Å; Q143-K146 PolarHBondContact O-N 2.87Å; Q143-K146 VanDerWaalsContact O-N 3.12Å; Q143-A147 PolarHBondContact O-N 3.49Å |
| 144 | K | 82.2 | Confident | 80.5 | Confident | 165 Ų | 165 | 108.3 Ų | 108.3 | 72% | 0.717 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.8 | -40.1 | 175.6 | -171.4 | 170.8 | -175.7 | 170.2 | 0 | 112.5 | M140 A147 N148 | M140-K144 WeakPolarHBondContact O-CB 3.45Å; M140-K144 PolarHBondContact O-N 2.95Å; K144-A147 PolarHBondContact O-N 3.24Å; K144-N148 WeakPolarHBondContact O-CB 3.33Å; K144-N148 PolarHBondContact O-N 3.11Å |
| 145 | L | 76.2 | Confident | 81.6 | Confident | 121 Ų | 121 | 107.4 Ų | 107.4 | 63% | 0.634 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.4 | -36.8 | 176.9 | -163.4 | 124.7 | 0 | 0 | 0 | 112.3 | K141 R142 Q143 K149 | K141-L145 WeakPolarHBondContact O-CB 3.43Å; K141-L145 PolarHBondContact O-N 3.29Å; R142-L145 PolarHBondContact O-N 2.89Å; Q143-L145 VanDerWaalsContact C-N 3.3Å; Q143-L145 PolarHBondContact O-N 2.96Å; L145-K149 WeakPolarHBondContact O-CB 3.12Å; L145-K149 PolarHBondContact O-N 3.07Å |
| 146 | K | 80.5 | Confident | 82.4 | Confident | 129 Ų | 129 | 108.3 Ų | 108.3 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.4 | -44.1 | 173.2 | -76 | 179 | 176.2 | -171.7 | 0 | 111.8 | R142 Q143 K149 Q150 | R142-K146 WeakPolarHBondContact O-CG 3.37Å; R142-K146 PolarHBondContact O-N 3.41Å; Q143-K146 WeakPolarHBondContact O-CB 3.47Å; Q143-K146 PolarHBondContact O-N 2.87Å; Q143-K146 VanDerWaalsContact O-N 3.12Å; K146-K149 PolarHBondContact O-N 2.86Å; K146-Q150 WeakPolarHBondContact O-CG 3.3Å; K146-Q150 PolarHBondContact O-N 3.37Å |
| 147 | A | 79.7 | Confident | 83.2 | Confident | 52 Ų | 52 | 108.6 Ų | 108.6 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q143 K144 K149 Q150 E151 | Q143-A147 PolarHBondContact O-N 3.49Å; K144-A147 PolarHBondContact O-N 3.24Å; A147-K149 VanDerWaalsContact C-N 3.3Å; A147-K149 PolarHBondContact O-N 3.45Å; A147-Q150 PolarHBondContact O-N 2.92Å; A147-Q150 VanDerWaalsContact O-N 3.14Å; A147-E151 PolarHBondContact O-N 2.95Å |
| 148 | N | 84.9 | Confident | 84.1 | Confident | 75 Ų | 75 | 104.9 Ų | 104.9 | 40% | 0.401 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 175.7 | -168.3 | 55.7 | 0 | 0 | 0 | 112 | K144 E151 E152 | K144-N148 WeakPolarHBondContact O-CB 3.33Å; K144-N148 PolarHBondContact O-N 3.11Å; N148-E151 PolarHBondContact O-N 3.47Å; N148-E152 PolarHBondContact ND2-OE1 3.31Å; N148-E152 VanDerWaalsContact ND2-OE1 3.13Å; N148-E152 WeakPolarHBondContact O-CB 3.45Å; N148-E152 WeakPolarHBondContact O-CG 3.23Å; N148-E152 PolarHBondContact O-N 3.47Å |
| 149 | K | 86.3 | Confident | 84.8 | Confident | 153 Ų | 153 | 98.9 Ų | 98.9 | 67% | 0.665 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65 | -39 | 175.7 | -174.1 | 177.2 | -178.4 | -179.5 | 0 | 112.5 | L145 K146 A147 A153 | L145-K149 WeakPolarHBondContact O-CB 3.12Å; L145-K149 PolarHBondContact O-N 3.07Å; K146-K149 PolarHBondContact O-N 2.86Å; A147-K149 VanDerWaalsContact C-N 3.3Å; A147-K149 PolarHBondContact O-N 3.45Å; K149-A153 WeakPolarHBondContact O-CB 3.39Å; K149-A153 PolarHBondContact O-N 2.84Å |
| 150 | Q | 83.3 | Confident | 85.3 | Confident | 133 Ų | 133 | 95.1 Ų | 95.1 | 62% | 0.621 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -67.4 | -42.6 | 175.4 | -73.8 | 175.1 | -30.8 | 0 | 0 | 111.1 | K146 A147 A153 L154 | K146-Q150 WeakPolarHBondContact O-CG 3.3Å; K146-Q150 PolarHBondContact O-N 3.37Å; A147-Q150 PolarHBondContact O-N 2.92Å; A147-Q150 VanDerWaalsContact O-N 3.14Å; Q150-A153 WeakPolarHBondContact O-CB 3.36Å; Q150-A153 PolarHBondContact O-N 3.45Å; Q150-L154 WeakPolarHBondContact O-CG 3.44Å; Q150-L154 PolarHBondContact O-N 2.95Å |
| 151 | E | 86.4 | Confident | 86 | Confident | 91 Ų | 91 | 90.6 Ų | 90.6 | 43% | 0.425 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 175.4 | -167.4 | -169.8 | 148.9 | 0 | 0 | 111.6 | A147 N148 A153 L154 K155 | A147-E151 PolarHBondContact O-N 2.95Å; N148-E151 PolarHBondContact O-N 3.47Å; E151-A153 VanDerWaalsContact C-N 3.33Å; E151-A153 PolarHBondContact O-N 2.92Å; E151-L154 PolarHBondContact O-N 2.79Å; E151-K155 WeakPolarHBondContact O-CG 3.36Å; E151-K155 PolarHBondContact O-N 2.69Å; E151-K155 WeakPolarHBondContact OE1-CE 3.25Å; E151-K155 IonicContact OE1-NZ 2.69Å; E151-K155 PolarHBondContact OE1-NZ 3.26Å |
| 152 | E | 85.4 | Confident | 86.5 | Confident | 102 Ų | 102 | 87 Ų | 87 | 48% | 0.477 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 173.7 | -78 | 177.3 | -175.4 | 0 | 0 | 111.9 | N148 L154 K155 M156 | N148-E152 PolarHBondContact ND2-OE1 3.31Å; N148-E152 VanDerWaalsContact ND2-OE1 3.13Å; N148-E152 WeakPolarHBondContact O-CB 3.45Å; N148-E152 WeakPolarHBondContact O-CG 3.23Å; N148-E152 PolarHBondContact O-N 3.47Å; E152-L154 PolarHBondContact O-N 2.94Å; E152-K155 WeakPolarHBondContact O-CB 3.49Å; E152-K155 PolarHBondContact O-N 2.79Å; E152-M156 WeakPolarHBondContact O-CB 3.41Å; E152-M156 VanDerWaalsContact O-CG 3.25Å; E152-M156 WeakPolarHBondContact O-CG 3.39Å; E152-M156 PolarHBondContact O-N 3Å |
| 153 | A | 86.1 | Confident | 87 | Confident | 45 Ų | 45 | 78.6 Ų | 78.6 | 37% | 0.372 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K149 Q150 E151 M156 K157 | K149-A153 WeakPolarHBondContact O-CB 3.39Å; K149-A153 PolarHBondContact O-N 2.84Å; Q150-A153 WeakPolarHBondContact O-CB 3.36Å; Q150-A153 PolarHBondContact O-N 3.45Å; E151-A153 VanDerWaalsContact C-N 3.33Å; E151-A153 PolarHBondContact O-N 2.92Å; A153-M156 PolarHBondContact O-N 2.86Å; A153-K157 WeakPolarHBondContact O-CG 3.38Å; A153-K157 PolarHBondContact O-N 3.49Å |
| 154 | L | 88.9 | Confident | 87.5 | Confident | 84 Ų | 84 | 73.2 Ų | 73.2 | 44% | 0.44 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 173.7 | -70.8 | 164.4 | 0 | 0 | 0 | 111.8 | Q150 E151 E152 R158 | Q150-L154 WeakPolarHBondContact O-CG 3.44Å; Q150-L154 PolarHBondContact O-N 2.95Å; E151-L154 PolarHBondContact O-N 2.79Å; E152-L154 PolarHBondContact O-N 2.94Å; L154-R158 WeakPolarHBondContact O-CG 3.24Å; L154-R158 PolarHBondContact O-N 3.01Å; L154-R158 PolarHBondContact O-NE 2.81Å; L154-R158 VanDerWaalsContact O-NE 3.15Å |
| 155 | K | 89.2 | Confident | 88 | Confident | 66 Ų | 66 | 65.4 Ų | 65.4 | 29% | 0.287 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 171.3 | -73.2 | 173.9 | -177.1 | 168.7 | 0 | 110.2 | E151 E152 K157 R158 T159 | E151-K155 WeakPolarHBondContact O-CG 3.36Å; E151-K155 PolarHBondContact O-N 2.69Å; E151-K155 WeakPolarHBondContact OE1-CE 3.25Å; E151-K155 IonicContact OE1-NZ 2.69Å; E151-K155 PolarHBondContact OE1-NZ 3.26Å; E152-K155 WeakPolarHBondContact O-CB 3.49Å; E152-K155 PolarHBondContact O-N 2.79Å; K155-K157 PolarHBondContact O-N 2.99Å; K155-R158 CarbonylContact O-C 3.46Å; K155-R158 WeakPolarHBondContact O-CA 3.46Å; K155-R158 PolarHBondContact O-N 2.68Å; K155-T159 WeakPolarHBondContact O-CG2 3.34Å; K155-T159 PolarHBondContact O-N 3.05Å |
| 156 | M | 89 | Confident | 88.6 | Confident | 85 Ų | 85 | 59.8 Ų | 59.8 | 42% | 0.419 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 179.1 | -74.7 | 179 | 74.4 | 0 | 0 | 112.4 | E152 A153 R158 T159 V251 | E152-M156 WeakPolarHBondContact O-CB 3.41Å; E152-M156 VanDerWaalsContact O-CG 3.25Å; E152-M156 WeakPolarHBondContact O-CG 3.39Å; E152-M156 PolarHBondContact O-N 3Å; A153-M156 PolarHBondContact O-N 2.86Å; M156-R158 PolarHBondContact O-N 3.18Å; M156-T159 WeakPolarHBondContact CA-OG1 3.3Å; M156-T159 PolarHBondContact O-N 2.78Å; M156-T159 PolarHBondContact O-OG1 2.64Å; M156-V251 HydrophobicContact CE-CG1 3.99Å |
| 157 | K | 90.3 | Very high | 88.9 | Confident | 132 Ų | 132 | 55.6 Ų | 55.6 | 57% | 0.574 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -58.8 | -35.3 | 174 | -71.1 | 178 | -179.4 | -171.8 | 0 | 113 | A153 K155 T159 | A153-K157 WeakPolarHBondContact O-CG 3.38Å; A153-K157 PolarHBondContact O-N 3.49Å; K155-K157 PolarHBondContact O-N 2.99Å; K157-T159 VanDerWaalsContact C-N 3.32Å |
| 158 | R | 93.3 | Very high | 89.2 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 19% | 0.189 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 3.1 | 176.3 | -66.4 | -179.3 | -74.4 | 142.1 | -1.7 | 113.9 | L154 K155 M156 E185 F223 K224 E226 V229 | L154-R158 WeakPolarHBondContact O-CG 3.24Å; L154-R158 PolarHBondContact O-N 3.01Å; L154-R158 PolarHBondContact O-NE 2.81Å; L154-R158 VanDerWaalsContact O-NE 3.15Å; K155-R158 CarbonylContact O-C 3.46Å; K155-R158 WeakPolarHBondContact O-CA 3.46Å; K155-R158 PolarHBondContact O-N 2.68Å; M156-R158 PolarHBondContact O-N 3.18Å; R158-E185 IonicContact NH1-OE2 2.68Å; R158-E185 PolarHBondContact NH1-OE2 3.38Å; R158-F223 WeakPolarHBondContact CB-O 3.4Å; R158-F223 PolarHBondContact O-N 3.36Å; R158-K224 WeakPolarHBondContact CD-O 3.47Å; R158-K224 PolarHBondContact NH1-O 3.47Å; R158-E226 HydrophobicContact CG-CG 3.51Å; R158-V229 WeakPolarHBondContact O-CG2 3.27Å |
| 159 | T | 93.3 | Very high | 89.2 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 136.5 | 178.6 | 62.6 | 0 | 0 | 0 | 0 | 112 | K155 M156 K157 V221 V222 V251 | K155-T159 WeakPolarHBondContact O-CG2 3.34Å; K155-T159 PolarHBondContact O-N 3.05Å; M156-T159 WeakPolarHBondContact CA-OG1 3.3Å; M156-T159 PolarHBondContact O-N 2.78Å; M156-T159 PolarHBondContact O-OG1 2.64Å; K157-T159 VanDerWaalsContact C-N 3.32Å; T159-V221 CarbonylContact C-O 3.56Å; T159-V221 VanDerWaalsContact CA-O 3.3Å; T159-V221 WeakPolarHBondContact CA-O 3.47Å; T159-V222 HydrophobicContact CG2-CB 3.99Å; T159-V222 HydrophobicContact CG2-CG1 4Å; T159-V222 HydrophobicContact CG2-CG2 3.38Å; T159-V251 WeakPolarHBondContact O-CG2 3.45Å; T159-V251 PolarHBondContact O-N 2.9Å; T159-V251 WeakPolarHBondContact OG1-CB 3.37Å; T159-V251 VanDerWaalsContact OG1-CG2 3.24Å; T159-V251 WeakPolarHBondContact OG1-CG2 3.41Å |
| 160 | V | 94.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 135.9 | 172.3 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | V162 Y220 V221 F223 V229 A232 V248 | V160-V162 HydrophobicContact CG1-CG2 4.19Å; V160-Y220 VanDerWaalsContact O-CA 3.31Å; V160-Y220 WeakPolarHBondContact O-CA 3.48Å; V160-V221 PolarHBondContact N-O 3.07Å; V160-V221 PolarHBondContact O-N 3Å; V160-F223 HydrophobicContact CB-CE2 4.19Å; V160-F223 HydrophobicContact CG2-CD2 3.86Å; V160-F223 HydrophobicContact CG2-CE2 3.54Å; V160-V229 HydrophobicContact CG2-CB 3.95Å; V160-V229 HydrophobicContact CG2-CG1 3.81Å; V160-V229 HydrophobicContact CG2-CG2 3.77Å; V160-A232 HydrophobicContact CG1-CB 4.35Å; V160-A232 HydrophobicContact CG2-CB 4.03Å; V160-V248 HydrophobicContact CG1-CG1 3.28Å |
| 161 | F | 93.3 | Very high | 89.6 | Confident | 37 Ų | 37 | 44.1 Ų | 44.1 | 16% | 0.162 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 129 | 166.8 | 173.8 | -100.2 | 0 | 0 | 0 | 109.3 | N218 Y220 V248 D249 V251 | F161-N218 HydrophobicContact CE2-CB 3.8Å; F161-N218 HydrophobicContact CZ-CB 4.08Å; F161-Y220 HydrophobicContact CB-CD1 4.29Å; F161-Y220 HydrophobicContact CB-CE1 4.06Å; F161-Y220 HydrophobicContact CD2-CD1 4.26Å; F161-Y220 AromaticContact CD2-CE1 3.66Å; F161-Y220 HydrophobicContact CD2-CE1 3.66Å; F161-Y220 AromaticContact CD2-CZ 3.97Å; F161-Y220 HydrophobicContact CG-CE1 4.35Å; F161-V248 WeakPolarHBondContact O-CA 3.42Å; F161-D249 HydrophobicContact CB-CB 4.4Å; F161-D249 HydrophobicContact CD1-CB 4.28Å; F161-D249 PolarHBondContact N-O 3.33Å; F161-D249 PolarHBondContact O-N 3.09Å; F161-V251 HydrophobicContact CB-CG2 4.07Å |
| 162 | V | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 111.1 | 174.5 | -171.4 | 0 | 0 | 0 | 0 | 108.1 | V160 L165 L174 F178 N218 A219 V221 I246 R247 | V160-V162 HydrophobicContact CG1-CG2 4.19Å; V162-L165 HydrophobicContact CB-CD1 4.24Å; V162-L165 HydrophobicContact CG1-CD1 3.84Å; V162-L165 HydrophobicContact CG1-CD2 3.8Å; V162-L165 HydrophobicContact CG1-CG 3.89Å; V162-L174 HydrophobicContact CG1-CD1 4.33Å; V162-F178 HydrophobicContact CG1-CE2 4.19Å; V162-F178 HydrophobicContact CG1-CZ 4.25Å; V162-F178 HydrophobicContact CG2-CE2 3.7Å; V162-F178 HydrophobicContact CG2-CZ 3.7Å; V162-N218 CarbonylContact O-C 3.38Å; V162-N218 WeakPolarHBondContact O-CA 3.46Å; V162-A219 HydrophobicContact CB-CB 4.4Å; V162-A219 PolarHBondContact N-O 2.68Å; V162-A219 PolarHBondContact O-N 3.11Å; V162-V221 HydrophobicContact CG2-CG2 4.13Å; V162-I246 HydrophobicContact CG1-CB 4.43Å; V162-I246 HydrophobicContact CG1-CG2 4.5Å; V162-R247 CarbonylContact C-O 3.36Å; V162-R247 VanDerWaalsContact CA-O 3.32Å; V162-R247 WeakPolarHBondContact CA-O 3.39Å |
| 163 | G | 91.6 | Very high | 90 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 165.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L165 R247 | G163-L165 VanDerWaalsContact C-N 3.31Å; G163-L165 PolarHBondContact O-N 3.32Å; G163-R247 PolarHBondContact N-O 3.32Å; G163-R247 PolarHBondContact O-N 3.31Å; G163-R247 VanDerWaalsContact O-N 3.1Å |
| 164 | N | 91.4 | Very high | 90.3 | Very high | 11 Ų | 11 | 40.3 Ų | 40.3 | 6% | 0.059 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 58.1 | 35.5 | 175.1 | -163.8 | 39.5 | 0 | 0 | 0 | 114.9 | S216 H245 E274 | N164-S216 WeakPolarHBondContact OD1-CB 3.24Å; N164-H245 WeakPolarHBondContact CB-O 3.02Å; N164-H245 PolarHBondContact ND2-O 3.45Å; N164-E274 PolarHBondContact OD1-OE2 2.99Å |
| 165 | L | 91.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 140.6 | 172.8 | -64.8 | 167.1 | 0 | 0 | 0 | 110 | V162 G163 L174 F189 S216 I217 A219 I240 I246 | V162-L165 HydrophobicContact CB-CD1 4.24Å; V162-L165 HydrophobicContact CG1-CD1 3.84Å; V162-L165 HydrophobicContact CG1-CD2 3.8Å; V162-L165 HydrophobicContact CG1-CG 3.89Å; G163-L165 VanDerWaalsContact C-N 3.31Å; G163-L165 PolarHBondContact O-N 3.32Å; L165-L174 HydrophobicContact CD1-CD1 3.85Å; L165-L174 HydrophobicContact CD2-CD1 4.26Å; L165-F189 HydrophobicContact CD1-CE1 4.08Å; L165-S216 CarbonylContact O-C 3.54Å; L165-S216 WeakPolarHBondContact O-CA 3.29Å; L165-I217 WeakPolarHBondContact CB-O 3.22Å; L165-I217 PolarHBondContact N-O 3.32Å; L165-I217 PolarHBondContact O-N 3.25Å; L165-A219 HydrophobicContact CD1-CB 3.62Å; L165-I240 HydrophobicContact CD2-CD1 3.51Å; L165-I246 HydrophobicContact CD2-CG2 3.65Å |
| 166 | P | 89.7 | Confident | 90.5 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.019 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 153.2 | 176 | 30.2 | -36.1 | 0 | 0 | 0 | 111.1 | S168 C169 E241 F244 | P166-S168 WeakPolarHBondContact CB-OG 3.3Å; P166-S168 WeakPolarHBondContact CG-OG 3.35Å; P166-S168 PolarHBondContact O-N 2.98Å; P166-C169 VanDerWaalsContact CD-SG 3.59Å; P166-C169 HydrophobicContact CG-CB 4.13Å; P166-C169 WeakPolarHBondContact CG-SG 3.42Å; P166-C169 WeakPolarHBondContact O-CB 3.49Å; P166-C169 PolarHBondContact O-N 3.24Å; P166-E241 WeakPolarHBondContact CB-OE2 3.47Å; P166-E241 HydrophobicContact CG-CB 4.28Å; P166-E241 WeakPolarHBondContact CG-OE2 3.43Å; P166-F244 HydrophobicContact CB-CD1 3.9Å; P166-F244 HydrophobicContact CB-CD2 3.97Å; P166-F244 HydrophobicContact CB-CE1 3.95Å; P166-F244 HydrophobicContact CB-CE2 4.01Å; P166-F244 HydrophobicContact CB-CG 3.9Å; P166-F244 HydrophobicContact CB-CZ 4Å; P166-F244 HydrophobicContact CG-CG 4.35Å |
| 167 | V | 85.8 | Confident | 90.6 | Very high | 41 Ų | 41 | 35.8 Ų | 35.8 | 25% | 0.248 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -24.7 | 177.3 | 176.9 | 0 | 0 | 0 | 0 | 112.3 | C169 V210 K214 Q215 I217 | V167-C169 VanDerWaalsContact C-N 3.25Å; V167-C169 PolarHBondContact O-N 2.77Å; V167-V210 HydrophobicContact CG1-CB 4.11Å; V167-V210 HydrophobicContact CG1-CG2 3.84Å; V167-V210 HydrophobicContact CG2-CG1 4.3Å; V167-K214 VanDerWaalsContact CG2-O 3.26Å; V167-K214 WeakPolarHBondContact CG2-O 3.31Å; V167-Q215 PolarHBondContact N-O 2.99Å; V167-I217 HydrophobicContact CB-CD1 4.12Å; V167-I217 HydrophobicContact CG1-CD1 4.13Å; V167-I217 HydrophobicContact CG2-CD1 3.93Å; V167-I217 HydrophobicContact CG2-CG1 3.88Å |
| 168 | S | 86.1 | Confident | 90.8 | Very high | 68 Ų | 68 | 29.5 Ų | 29.5 | 48% | 0.476 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -24.2 | 174.1 | 58.6 | 0 | 0 | 0 | 0 | 113.1 | P166 T170 E241 | P166-S168 WeakPolarHBondContact CB-OG 3.3Å; P166-S168 WeakPolarHBondContact CG-OG 3.35Å; P166-S168 PolarHBondContact O-N 2.98Å; S168-T170 PolarHBondContact O-N 3.41Å; S168-E241 PolarHBondContact OG-OE2 3.14Å |
| 169 | C | 86.4 | Confident | 90.8 | Very high | 14 Ų | 14 | 36 Ų | 36 | 10% | 0.095 | 19% | 0.194 | C | C | . | . | trans | -63.4 | 127.9 | -174.7 | -96.8 | 0 | 0 | 0 | 0 | 111.8 | P166 V167 F189 | P166-C169 VanDerWaalsContact CD-SG 3.59Å; P166-C169 HydrophobicContact CG-CB 4.13Å; P166-C169 WeakPolarHBondContact CG-SG 3.42Å; P166-C169 WeakPolarHBondContact O-CB 3.49Å; P166-C169 PolarHBondContact O-N 3.24Å; V167-C169 VanDerWaalsContact C-N 3.25Å; V167-C169 PolarHBondContact O-N 2.77Å; C169-F189 VanDerWaalsContact O-CZ 3.27Å; C169-F189 WeakPolarHBondContact O-CZ 3.3Å | ||
| 170 | T | 88.9 | Confident | 90.8 | Very high | 47 Ų | 47 | 40.4 Ų | 40.4 | 29% | 0.288 | 22% | 0.218 | S | C | . | . | trans | -94.5 | 164.1 | 176.1 | 66.1 | 0 | 0 | 0 | 0 | 110.8 | S168 K172 T173 L174 | S168-T170 PolarHBondContact O-N 3.41Å; T170-K172 PolarHBondContact O-N 3.03Å; T170-T173 PolarHBondContact N-OG1 3.47Å; T170-T173 PolarHBondContact O-N 3.03Å; T170-T173 PolarHBondContact O-OG1 3.09Å; T170-T173 PolarHBondContact OG1-N 3.08Å; T170-T173 PolarHBondContact OG1-OG1 3.31Å; T170-L174 PolarHBondContact O-N 3.17Å | ||
| 171 | M | 87.2 | Confident | 90.7 | Very high | 44 Ų | 44 | 42.4 Ų | 42.4 | 22% | 0.217 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.3 | -34.7 | 172.4 | -81.5 | -74.5 | 128 | 0 | 0 | 112 | L174 L175 A187 F189 | M171-L174 HydrophobicContact CE-CD2 3.84Å; M171-L174 PolarHBondContact O-N 3.44Å; M171-L174 HydrophobicContact SD-CD2 4.49Å; M171-L175 WeakPolarHBondContact O-CB 3.38Å; M171-L175 VanDerWaalsContact O-CG 3.24Å; M171-L175 WeakPolarHBondContact O-CG 3.45Å; M171-L175 PolarHBondContact O-N 3.11Å; M171-A187 HydrophobicContact SD-CB 3.97Å; M171-F189 HydrophobicContact CE-CB 4.15Å; M171-F189 HydrophobicContact CE-CD1 3.55Å; M171-F189 HydrophobicContact CE-CD2 3.09Å; M171-F189 HydrophobicContact CE-CE1 3.58Å; M171-F189 HydrophobicContact CE-CE2 3.13Å; M171-F189 HydrophobicContact CE-CG 3.29Å; M171-F189 HydrophobicContact CE-CZ 3.37Å; M171-F189 HydrophobicContact CG-CD2 4.35Å; M171-F189 HydrophobicContact CG-CE2 3.92Å; M171-F189 HydrophobicContact SD-CE2 4.33Å |
| 172 | K | 90 | Very high | 90.7 | Very high | 92 Ų | 92 | 41.3 Ų | 41.3 | 40% | 0.4 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.1 | -45 | 177.3 | -66.6 | -173.2 | 175.9 | -172.9 | 0 | 111.8 | E97 T170 L175 G176 | E97-K172 IonicContact OE1-NZ 3.26Å; E97-K172 PolarHBondContact OE1-NZ 3.17Å; E97-K172 IonicContact OE2-NZ 2.68Å; E97-K172 PolarHBondContact OE2-NZ 3.38Å; T170-K172 PolarHBondContact O-N 3.03Å; K172-L175 PolarHBondContact O-N 3.41Å; K172-G176 PolarHBondContact O-N 3.16Å |
| 173 | T | 91 | Very high | 90.8 | Very high | 65 Ų | 65 | 44.4 Ų | 44.4 | 40% | 0.399 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.1 | -43.9 | 178 | 54.9 | 0 | 0 | 0 | 0 | 110.9 | T170 L175 G176 L177 | T170-T173 PolarHBondContact N-OG1 3.47Å; T170-T173 PolarHBondContact O-N 3.03Å; T170-T173 PolarHBondContact O-OG1 3.09Å; T170-T173 PolarHBondContact OG1-N 3.08Å; T170-T173 PolarHBondContact OG1-OG1 3.31Å; T173-L175 PolarHBondContact O-N 3.01Å; T173-G176 PolarHBondContact O-N 3.37Å; T173-L177 VanDerWaalsContact O-CG 3.29Å; T173-L177 WeakPolarHBondContact O-CG 3.47Å; T173-L177 PolarHBondContact O-N 3.1Å |
| 174 | L | 91.6 | Very high | 91 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 176.3 | -177.1 | 65.9 | 0 | 0 | 0 | 112.2 | V162 L165 T170 M171 G176 L177 F178 A187 F189 A219 V221 | V162-L174 HydrophobicContact CG1-CD1 4.33Å; L165-L174 HydrophobicContact CD1-CD1 3.85Å; L165-L174 HydrophobicContact CD2-CD1 4.26Å; T170-L174 PolarHBondContact O-N 3.17Å; M171-L174 HydrophobicContact CE-CD2 3.84Å; M171-L174 PolarHBondContact O-N 3.44Å; M171-L174 HydrophobicContact SD-CD2 4.49Å; L174-G176 VanDerWaalsContact C-N 3.35Å; L174-L177 PolarHBondContact O-N 3.43Å; L174-F178 HydrophobicContact CD1-CD2 4.09Å; L174-F178 HydrophobicContact CD1-CE2 3.82Å; L174-F178 WeakPolarHBondContact O-CD2 3.33Å; L174-A187 HydrophobicContact CD2-CB 4.3Å; L174-F189 HydrophobicContact CD2-CE1 4.06Å; L174-A219 HydrophobicContact CD2-CB 3.57Å; L174-V221 HydrophobicContact CD1-CG2 4.45Å; L174-V221 HydrophobicContact CD2-CG2 4.13Å; L174-V221 HydrophobicContact CG-CG2 4.26Å |
| 175 | L | 92.6 | Very high | 91.1 | Very high | 53 Ų | 53 | 49.9 Ų | 49.9 | 28% | 0.277 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 177.9 | -69.7 | 172.5 | 0 | 0 | 0 | 111.8 | M171 K172 T173 L177 F178 R179 I184 A187 | M171-L175 WeakPolarHBondContact O-CB 3.38Å; M171-L175 VanDerWaalsContact O-CG 3.24Å; M171-L175 WeakPolarHBondContact O-CG 3.45Å; M171-L175 PolarHBondContact O-N 3.11Å; K172-L175 PolarHBondContact O-N 3.41Å; T173-L175 PolarHBondContact O-N 3.01Å; L175-L177 VanDerWaalsContact C-N 3.28Å; L175-L177 PolarHBondContact O-N 3.17Å; L175-F178 PolarHBondContact O-N 3.11Å; L175-R179 WeakPolarHBondContact O-CB 3.34Å; L175-R179 PolarHBondContact O-N 2.94Å; L175-I184 HydrophobicContact CD2-CB 4.33Å; L175-I184 HydrophobicContact CD2-CD1 3.65Å; L175-I184 HydrophobicContact CD2-CG2 3.76Å; L175-A187 HydrophobicContact CD2-CB 3.82Å |
| 176 | G | 91.3 | Very high | 91.1 | Very high | 45 Ų | 45 | 52.5 Ų | 52.5 | 46% | 0.464 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.3 | -38.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K172 T173 L174 F178 | K172-G176 PolarHBondContact O-N 3.16Å; T173-G176 PolarHBondContact O-N 3.37Å; L174-G176 VanDerWaalsContact C-N 3.35Å; G176-F178 VanDerWaalsContact C-N 3.26Å; G176-F178 PolarHBondContact O-N 2.74Å |
| 177 | L | 91.3 | Very high | 91.1 | Very high | 41 Ų | 41 | 52.9 Ų | 52.9 | 22% | 0.215 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -16.3 | 178.8 | -70.9 | 168.7 | 0 | 0 | 0 | 114.8 | T173 L174 L175 R235 I240 | T173-L177 VanDerWaalsContact O-CG 3.29Å; T173-L177 WeakPolarHBondContact O-CG 3.47Å; T173-L177 PolarHBondContact O-N 3.1Å; L174-L177 PolarHBondContact O-N 3.43Å; L175-L177 VanDerWaalsContact C-N 3.28Å; L175-L177 PolarHBondContact O-N 3.17Å; L177-R235 WeakPolarHBondContact O-CD 3.32Å; L177-R235 PolarHBondContact O-NE 3.31Å; L177-R235 PolarHBondContact O-NH1 2.71Å; L177-I240 HydrophobicContact CD1-CD1 3.33Å; L177-I240 HydrophobicContact CD1-CG1 3.81Å |
| 178 | F | 93.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | -4.5 | -176.1 | -72.1 | -71.1 | 0 | 0 | 0 | 113.7 | V162 L174 L175 G176 D180 K181 G182 I184 V221 F223 A232 R235 I246 V248 | V162-F178 HydrophobicContact CG1-CE2 4.19Å; V162-F178 HydrophobicContact CG1-CZ 4.25Å; V162-F178 HydrophobicContact CG2-CE2 3.7Å; V162-F178 HydrophobicContact CG2-CZ 3.7Å; L174-F178 HydrophobicContact CD1-CD2 4.09Å; L174-F178 HydrophobicContact CD1-CE2 3.82Å; L174-F178 WeakPolarHBondContact O-CD2 3.33Å; L175-F178 PolarHBondContact O-N 3.11Å; G176-F178 VanDerWaalsContact C-N 3.26Å; G176-F178 PolarHBondContact O-N 2.74Å; F178-D180 VanDerWaalsContact C-N 3.29Å; F178-D180 PolarHBondContact O-N 3.32Å; F178-K181 PolarHBondContact O-N 2.97Å; F178-G182 PolarHBondContact O-N 2.81Å; F178-I184 HydrophobicContact CB-CD1 3.9Å; F178-V221 HydrophobicContact CD2-CG2 4.35Å; F178-F223 HydrophobicContact CB-CE1 4.37Å; F178-F223 HydrophobicContact CB-CZ 3.92Å; F178-F223 HydrophobicContact CD1-CZ 4.23Å; F178-F223 HydrophobicContact CG-CZ 4.33Å; F178-A232 HydrophobicContact CD1-CB 3.89Å; F178-A232 HydrophobicContact CE1-CB 3.9Å; F178-R235 HydrophobicContact CE1-CB 4.41Å; F178-I246 HydrophobicContact CZ-CD1 4.34Å; F178-V248 HydrophobicContact CE1-CG1 4.32Å; F178-V248 HydrophobicContact CE1-CG2 4.4Å; F178-V248 HydrophobicContact CZ-CG1 4.47Å; F178-V248 HydrophobicContact CZ-CG2 4.04Å |
| 179 | R | 93.2 | Very high | 91.3 | Very high | 186 Ų | 186 | 53.3 Ų | 53.3 | 70% | 0.702 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -35.7 | -177.6 | -179.9 | 179.1 | -68.2 | -174.4 | -2.5 | 112.9 | L175 K181 | L175-R179 WeakPolarHBondContact O-CB 3.34Å; L175-R179 PolarHBondContact O-N 2.94Å; R179-K181 VanDerWaalsContact C-N 3.32Å |
| 180 | D | 92.7 | Very high | 91.2 | Very high | 99 Ų | 99 | 55.4 Ų | 55.4 | 53% | 0.529 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -21 | 179.5 | 65.5 | -53.8 | 0 | 0 | 0 | 113 | F178 R235 | F178-D180 VanDerWaalsContact C-N 3.29Å; F178-D180 PolarHBondContact O-N 3.32Å; D180-R235 VanDerWaalsContact CG-NH1 3.26Å; D180-R235 VanDerWaalsContact CG-NH2 3.3Å; D180-R235 IonicContact OD1-CZ 2.62Å; D180-R235 IonicContact OD1-NH1 2.78Å; D180-R235 PolarHBondContact OD1-NH1 3.38Å; D180-R235 IonicContact OD1-NH2 2.73Å; D180-R235 PolarHBondContact OD1-NH2 2.79Å; D180-R235 IonicContact OD2-CZ 3.19Å; D180-R235 VanDerWaalsContact OD2-CZ 3.26Å; D180-R235 IonicContact OD2-NH1 3.33Å; D180-R235 PolarHBondContact OD2-NH1 3.03Å; D180-R235 IonicContact OD2-NH2 3.64Å; D180-R235 PolarHBondContact OD2-NH2 2.95Å |
| 181 | K | 93.1 | Very high | 90.5 | Very high | 41 Ų | 41 | 56.4 Ų | 56.4 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -21.9 | 179.4 | -61 | -65.5 | -177.7 | 172.2 | 0 | 112.7 | F178 R179 N231 E234 R235 | F178-K181 PolarHBondContact O-N 2.97Å; R179-K181 VanDerWaalsContact C-N 3.32Å; K181-N231 HydrophobicContact CB-CB 3.92Å; K181-N231 HydrophobicContact CD-CB 3.83Å; K181-N231 WeakPolarHBondContact CD-O 3.42Å; K181-N231 HydrophobicContact CG-CB 4.36Å; K181-N231 PolarHBondContact O-ND2 3.48Å; K181-E234 IonicContact NZ-OE2 2.68Å; K181-E234 PolarHBondContact NZ-OE2 2.8Å; K181-R235 VanDerWaalsContact CE-NH1 3.3Å |
| 182 | G | 93.4 | Very high | 89.9 | Confident | 15 Ų | 15 | 55 Ų | 55 | 16% | 0.155 | 29% | 0.29 | C | S | . | . | S | Bend | trans | 167.2 | 171.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | F178 I184 | F178-G182 PolarHBondContact O-N 2.81Å; G182-I184 PolarHBondContact O-N 3.12Å |
| 183 | P | 94.6 | Very high | 89.1 | Confident | 64 Ų | 64 | 50.9 Ų | 50.9 | 42% | 0.416 | 27% | 0.272 | S | S | . | . | trans | -68.4 | 122.2 | 177.1 | 27.3 | -33.5 | 0 | 0 | 0 | 111.2 | K224 | P183-K224 HydrophobicContact CB-CB 4.43Å; P183-K224 HydrophobicContact CB-CD 4.06Å; P183-K224 HydrophobicContact CB-CG 4.29Å; P183-K224 HydrophobicContact CG-CB 4.16Å; P183-K224 HydrophobicContact CG-CD 4.5Å; P183-K224 PolarHBondContact O-N 3.32Å | ||
| 184 | I | 95.3 | Very high | 88.5 | Confident | 37 Ų | 37 | 50.4 Ų | 50.4 | 19% | 0.19 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 136.4 | -179.4 | -55.9 | 171.6 | 0 | 0 | 0 | 109.6 | L175 F178 G182 V221 V222 F223 | L175-I184 HydrophobicContact CD2-CB 4.33Å; L175-I184 HydrophobicContact CD2-CD1 3.65Å; L175-I184 HydrophobicContact CD2-CG2 3.76Å; F178-I184 HydrophobicContact CB-CD1 3.9Å; G182-I184 PolarHBondContact O-N 3.12Å; I184-V221 HydrophobicContact CD1-CG1 4.27Å; I184-V221 HydrophobicContact CG1-CG1 4.27Å; I184-V221 HydrophobicContact CG2-CG1 3.79Å; I184-V222 WeakPolarHBondContact CG2-O 3.47Å; I184-F223 HydrophobicContact CG1-CD1 4.02Å; I184-F223 HydrophobicContact CG1-CE1 3.77Å |
| 185 | E | 93.1 | Very high | 87.6 | Confident | 91 Ų | 91 | 55.1 Ų | 55.1 | 43% | 0.425 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -52 | 172.7 | -172.9 | -177.2 | 147.8 | 0 | 0 | 110.5 | R158 V222 K224 | R158-E185 IonicContact NH1-OE2 2.68Å; R158-E185 PolarHBondContact NH1-OE2 3.38Å; E185-V222 HydrophobicContact CB-CB 4.35Å; E185-V222 HydrophobicContact CB-CG1 4.13Å; E185-V222 WeakPolarHBondContact CB-O 3.37Å; E185-V222 PolarHBondContact N-O 3.35Å; E185-K224 HydrophobicContact CB-CG 4.16Å |
| 186 | S | 91.1 | Very high | 86.6 | Confident | 54 Ų | 54 | 56 Ų | 56 | 38% | 0.378 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 159.1 | 177.4 | 62.3 | 0 | 0 | 0 | 0 | 112 | V222 | S186-V222 PolarHBondContact N-O 3.15Å; S186-V222 PolarHBondContact O-N 3.24Å; S186-V222 WeakPolarHBondContact OG-CG2 3.47Å |
| 187 | A | 91.7 | Very high | 85.8 | Confident | 12 Ų | 12 | 59.7 Ų | 59.7 | 10% | 0.099 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 149.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | M171 L174 L175 Y220 V221 | M171-A187 HydrophobicContact SD-CB 3.97Å; L174-A187 HydrophobicContact CD2-CB 4.3Å; L175-A187 HydrophobicContact CD2-CB 3.82Å; A187-Y220 CarbonylContact C-O 3.5Å; A187-Y220 WeakPolarHBondContact CA-O 3.29Å; A187-V221 HydrophobicContact CB-CG2 4.3Å |
| 188 | R | 88.3 | Confident | 85.1 | Confident | 80 Ų | 80 | 63.1 Ų | 63.1 | 30% | 0.302 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 135.2 | -179.5 | 70.2 | -163.4 | -172.3 | -153.1 | -6.5 | 111.6 | R190 A219 Y220 | R188-R190 VanDerWaalsContact CD-CZ 3.4Å; R188-R190 VanDerWaalsContact NE-CZ 3.32Å; R188-A219 CarbonylContact O-C 3.46Å; R188-A219 WeakPolarHBondContact O-CA 3.32Å; R188-A219 WeakPolarHBondContact O-CB 3.32Å; R188-Y220 HydrophobicContact CG-CD2 4.42Å; R188-Y220 PolarHBondContact N-O 3.37Å; R188-Y220 PolarHBondContact O-N 3.42Å |
| 189 | F | 87.2 | Confident | 84.1 | Confident | 38 Ų | 38 | 65 Ų | 65 | 17% | 0.167 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 152.4 | 167.7 | -70.8 | -53 | 0 | 0 | 0 | 111.2 | L165 C169 M171 L174 I217 N218 A219 | L165-F189 HydrophobicContact CD1-CE1 4.08Å; C169-F189 VanDerWaalsContact O-CZ 3.27Å; C169-F189 WeakPolarHBondContact O-CZ 3.3Å; M171-F189 HydrophobicContact CE-CB 4.15Å; M171-F189 HydrophobicContact CE-CD1 3.55Å; M171-F189 HydrophobicContact CE-CD2 3.09Å; M171-F189 HydrophobicContact CE-CE1 3.58Å; M171-F189 HydrophobicContact CE-CE2 3.13Å; M171-F189 HydrophobicContact CE-CG 3.29Å; M171-F189 HydrophobicContact CE-CZ 3.37Å; M171-F189 HydrophobicContact CG-CD2 4.35Å; M171-F189 HydrophobicContact CG-CE2 3.92Å; M171-F189 HydrophobicContact SD-CE2 4.33Å; L174-F189 HydrophobicContact CD2-CE1 4.06Å; F189-I217 HydrophobicContact CB-CG2 4.13Å; F189-I217 HydrophobicContact CD1-CG2 3.85Å; F189-I217 HydrophobicContact CG-CG2 4.2Å; F189-N218 CarbonylContact C-O 3.58Å; F189-A219 HydrophobicContact CD1-CB 3.86Å; F189-A219 HydrophobicContact CE1-CB 4.25Å |
| 190 | R | 84 | Confident | 83.3 | Confident | 57 Ų | 57 | 58 Ų | 58 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 164.4 | -177.9 | -70.5 | -62.6 | -162.1 | -121.5 | 17.7 | 110.8 | D112 R188 V192 I217 N218 Y220 | D112-R190 IonicContact OD2-CZ 3.93Å; D112-R190 IonicContact OD2-NH1 2.88Å; D112-R190 IonicContact OD2-NH2 3.78Å; D112-R190 PolarHBondContact OD2-NH2 3.09Å; R188-R190 VanDerWaalsContact CD-CZ 3.4Å; R188-R190 VanDerWaalsContact NE-CZ 3.32Å; R190-V192 PolarHBondContact O-N 2.87Å; R190-I217 WeakPolarHBondContact O-CG2 3.4Å; R190-N218 WeakPolarHBondContact CA-O 3.37Å; R190-N218 PolarHBondContact N-O 3.44Å; R190-N218 PolarHBondContact O-N 3.22Å; R190-N218 VanDerWaalsContact O-O 3.07Å; R190-Y220 HydrophobicContact CB-CD2 4.46Å; R190-Y220 HydrophobicContact CB-CE2 4.35Å; R190-Y220 HydrophobicContact CG-CD2 3.49Å; R190-Y220 VanDerWaalsContact CG-CD2 3.49Å; R190-Y220 HydrophobicContact CG-CE2 3.62Å |
| 191 | S | 73.6 | Confident | 82.2 | Confident | 68 Ų | 68 | 60 Ų | 60 | 48% | 0.476 | 32% | 0.322 | S | S | . | . | trans | 57.8 | 31.2 | 178.5 | -56.4 | 0 | 0 | 0 | 0 | 113.5 | V193 K214 | S191-V193 PolarHBondContact O-N 3.15Å; S191-K214 WeakPolarHBondContact O-CE 3.34Å; S191-K214 PolarHBondContact O-NZ 3.08Å | ||
| 192 | V | 75.7 | Confident | 80.8 | Confident | 14 Ų | 14 | 60 Ų | 60 | 9% | 0.085 | 32% | 0.323 | C | S | . | . | trans | -72.6 | 109.7 | 171.5 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | R190 A204 T205 V210 I217 | R190-V192 PolarHBondContact O-N 2.87Å; V192-A204 HydrophobicContact CG1-CB 4.45Å; V192-T205 HydrophobicContact CG2-CG2 4.38Å; V192-V210 HydrophobicContact CG1-CG1 4.44Å; V192-V210 HydrophobicContact CG1-CG2 3.77Å; V192-I217 HydrophobicContact CG2-CD1 4.45Å; V192-I217 HydrophobicContact CG2-CG2 4.21Å | ||
| 193 | V | 72.4 | Confident | 79.5 | Confident | 7 Ų | 7 | 63 Ų | 63 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | trans | -82.3 | 120.9 | 177.2 | 175.1 | 0 | 0 | 0 | 0 | 107.6 | S191 V210 H211 K214 N297 | S191-V193 PolarHBondContact O-N 3.15Å; V193-V210 WeakPolarHBondContact O-CA 3.45Å; V193-H211 HydrophobicContact CG1-CB 4.03Å; V193-H211 PolarHBondContact O-N 2.77Å; V193-H211 VanDerWaalsContact O-N 3.11Å; V193-K214 HydrophobicContact CB-CD 3.77Å; V193-K214 HydrophobicContact CG2-CD 3.33Å; V193-N297 WeakPolarHBondContact CG1-O 3.26Å | ||
| 194 | R | 77.7 | Confident | 78.4 | Confident | 54 Ų | 54 | 60 Ų | 60 | 20% | 0.204 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -73.3 | 138.3 | -178.9 | -61.7 | 148.2 | 60.9 | 145.8 | 11.6 | 108.5 | D196 P197 S198 M199 S200 R201 A204 | R194-D196 WeakPolarHBondContact CB-O 2.98Å; R194-D196 PolarHBondContact NE-O 2.68Å; R194-P197 PolarHBondContact NH2-O 3.13Å; R194-S198 PolarHBondContact NH2-O 3.23Å; R194-M199 WeakPolarHBondContact CD-O 3.23Å; R194-M199 WeakPolarHBondContact CG-O 3.27Å; R194-M199 PolarHBondContact NE-O 2.76Å; R194-M199 PolarHBondContact NH2-O 3.1Å; R194-S200 VanDerWaalsContact NH2-N 3.17Å; R194-R201 HydrophobicContact CG-CG 4.35Å; R194-A204 HydrophobicContact CB-CB 4.21Å; R194-A204 HydrophobicContact CG-CB 3.62Å |
| 195 | E | 73.6 | Confident | 77.1 | Confident | 100 Ų | 100 | 60.4 Ų | 60.4 | 47% | 0.467 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -64.4 | -48 | 168 | -174.4 | 171.4 | -156.2 | 0 | 0 | 110.2 | K209 | E195-K209 PolarHBondContact N-O 2.78Š|
| 196 | D | 72.8 | Confident | 76.1 | Confident | 72 Ų | 72 | 58.1 Ų | 58.1 | 39% | 0.385 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -100.9 | 124.9 | 175.1 | -61.6 | -47.5 | 0 | 0 | 0 | 111.7 | R194 S198 M199 | R194-D196 WeakPolarHBondContact CB-O 2.98Å; R194-D196 PolarHBondContact NE-O 2.68Å; D196-S198 PolarHBondContact O-N 2.68Å; D196-M199 HydrophobicContact CB-CB 4.09Å; D196-M199 HydrophobicContact CB-CG 3.66Å; D196-M199 PolarHBondContact O-N 3.07Å |
| 197 | P | 72.6 | Confident | 75.2 | Confident | 123 Ų | 123 | 60.7 Ų | 60.7 | 80% | 0.799 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -12.9 | 174.2 | 25.1 | -32.1 | 0 | 0 | 0 | 113 | R194 | R194-P197 PolarHBondContact NH2-O 3.13Š|
| 198 | S | 76.6 | Confident | 74.1 | Confident | 112 Ų | 112 | 67.9 Ų | 67.9 | 78% | 0.783 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -34.3 | 175.4 | -169.9 | 0 | 0 | 0 | 0 | 113.9 | R194 D196 S200 | R194-S198 PolarHBondContact NH2-O 3.23Å; D196-S198 PolarHBondContact O-N 2.68Å; S198-S200 PolarHBondContact O-N 2.88Å |
| 199 | M | 73.9 | Confident | 73.4 | Confident | 41 Ų | 41 | 68.8 Ų | 68.8 | 20% | 0.202 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -81.6 | 105.1 | -172.7 | -72 | -62.7 | -57.9 | 0 | 0 | 116.7 | R194 D196 E203 K207 | R194-M199 WeakPolarHBondContact CD-O 3.23Å; R194-M199 WeakPolarHBondContact CG-O 3.27Å; R194-M199 PolarHBondContact NE-O 2.76Å; R194-M199 PolarHBondContact NH2-O 3.1Å; D196-M199 HydrophobicContact CB-CB 4.09Å; D196-M199 HydrophobicContact CB-CG 3.66Å; D196-M199 PolarHBondContact O-N 3.07Å; M199-E203 HydrophobicContact CE-CB 3.95Å; M199-E203 WeakPolarHBondContact CE-OE2 3.47Å; M199-K207 HydrophobicContact CE-CD 3.63Å; M199-K207 VanDerWaalsContact CE-NZ 3.33Å |
| 200 | S | 75.4 | Confident | 72.7 | Confident | 40 Ų | 40 | 67.8 Ų | 67.8 | 28% | 0.28 | 34% | 0.34 | S | S | . | . | trans | -40.1 | 143.8 | -171.6 | -177.9 | 0 | 0 | 0 | 0 | 114.9 | R194 S198 K202 E203 A204 | R194-S200 VanDerWaalsContact NH2-N 3.17Å; S198-S200 PolarHBondContact O-N 2.88Å; S200-K202 PolarHBondContact O-N 2.9Å; S200-E203 CarbonylContact O-C 3.59Å; S200-E203 WeakPolarHBondContact O-CA 3.42Å; S200-E203 WeakPolarHBondContact O-CB 3.4Å; S200-E203 PolarHBondContact O-N 3.5Å; S200-A204 PolarHBondContact O-N 3.12Å | ||
| 201 | R | 69.3 | Low | 72.2 | Confident | 139 Ų | 139 | 67.4 Ų | 67.4 | 53% | 0.525 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -52.4 | -33.7 | -179 | -66.5 | -178.3 | -165.5 | 94 | 2.1 | 112.5 | E113 R194 T205 | E113-R201 IonicContact OE1-NH1 3.07Å; E113-R201 PolarHBondContact OE1-NH1 2.97Å; R194-R201 HydrophobicContact CG-CG 4.35Å; R201-T205 PolarHBondContact O-N 2.85Å; R201-T205 VanDerWaalsContact O-N 3.15Å; R201-T205 PolarHBondContact O-OG1 2.84Å |
| 202 | K | 63.8 | Low | 72.3 | Confident | 42 Ų | 42 | 68.5 Ų | 68.5 | 18% | 0.183 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.7 | -50.1 | 175.1 | -39 | -174.7 | 163.4 | -174.3 | 0 | 111 | A109 D110 S200 A204 T205 I206 | A109-K202 HydrophobicContact CB-CB 3.85Å; A109-K202 HydrophobicContact CB-CD 3.3Å; A109-K202 VanDerWaalsContact CB-CE 3.45Å; A109-K202 HydrophobicContact CB-CG 3.52Å; A109-K202 WeakPolarHBondContact O-CE 3.46Å; A109-K202 PolarHBondContact O-NZ 3.19Å; D110-K202 VanDerWaalsContact CA-NZ 3.27Å; D110-K202 IonicContact OD1-NZ 3.37Å; D110-K202 PolarHBondContact OD1-NZ 2.87Å; S200-K202 PolarHBondContact O-N 2.9Å; K202-A204 PolarHBondContact O-N 3.25Å; K202-T205 PolarHBondContact O-N 3.47Å; K202-I206 WeakPolarHBondContact O-CG1 3.32Å; K202-I206 PolarHBondContact O-N 3.44Å |
| 203 | E | 66.8 | Low | 72.3 | Confident | 77 Ų | 77 | 73.4 Ų | 73.4 | 36% | 0.36 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 179.4 | -67.9 | -174 | -135.6 | 0 | 0 | 112.2 | M199 S200 T205 I206 K207 | M199-E203 HydrophobicContact CE-CB 3.95Å; M199-E203 WeakPolarHBondContact CE-OE2 3.47Å; S200-E203 CarbonylContact O-C 3.59Å; S200-E203 WeakPolarHBondContact O-CA 3.42Å; S200-E203 WeakPolarHBondContact O-CB 3.4Å; S200-E203 PolarHBondContact O-N 3.5Å; E203-T205 VanDerWaalsContact C-N 3.27Å; E203-T205 PolarHBondContact O-N 2.91Å; E203-I206 PolarHBondContact O-N 3.32Å; E203-K207 HydrophobicContact CB-CD 4.37Å; E203-K207 WeakPolarHBondContact O-CB 3.39Å; E203-K207 VanDerWaalsContact O-CG 3.31Å; E203-K207 WeakPolarHBondContact O-CG 3.42Å; E203-K207 PolarHBondContact O-N 3.03Å; E203-K207 IonicContact OE2-NZ 2.81Å; E203-K207 PolarHBondContact OE2-NZ 3.33Å |
| 204 | A | 70.8 | Confident | 72.4 | Confident | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.008 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63 | -35.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V192 R194 S200 K202 R208 K209 | V192-A204 HydrophobicContact CG1-CB 4.45Å; R194-A204 HydrophobicContact CB-CB 4.21Å; R194-A204 HydrophobicContact CG-CB 3.62Å; S200-A204 PolarHBondContact O-N 3.12Å; K202-A204 PolarHBondContact O-N 3.25Å; A204-R208 CarbonylContact O-C 3.57Å; A204-R208 VanDerWaalsContact O-CA 3.25Å; A204-R208 WeakPolarHBondContact O-CA 3.38Å; A204-R208 PolarHBondContact O-N 2.91Å; A204-K209 PolarHBondContact O-N 3.45Å |
| 205 | T | 69.3 | Low | 72.5 | Confident | 47 Ų | 47 | 75.6 Ų | 75.6 | 29% | 0.288 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.6 | -46.3 | 175.5 | -50.2 | 0 | 0 | 0 | 0 | 111.1 | V192 R201 K202 E203 R208 | V192-T205 HydrophobicContact CG2-CG2 4.38Å; R201-T205 PolarHBondContact O-N 2.85Å; R201-T205 VanDerWaalsContact O-N 3.15Å; R201-T205 PolarHBondContact O-OG1 2.84Å; K202-T205 PolarHBondContact O-N 3.47Å; E203-T205 VanDerWaalsContact C-N 3.27Å; E203-T205 PolarHBondContact O-N 2.91Å; T205-R208 PolarHBondContact O-N 3.07Å |
| 206 | I | 71.3 | Confident | 73.1 | Confident | 43 Ų | 43 | 71.8 Ų | 71.8 | 22% | 0.221 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.2 | -45 | -178.9 | -66.4 | 166.2 | 0 | 0 | 0 | 111.3 | L106 K202 E203 R208 | L106-I206 HydrophobicContact CD2-CD1 3.93Å; L106-I206 HydrophobicContact CG-CD1 4.19Å; K202-I206 WeakPolarHBondContact O-CG1 3.32Å; K202-I206 PolarHBondContact O-N 3.44Å; E203-I206 PolarHBondContact O-N 3.32Å; I206-R208 PolarHBondContact O-N 3.27Å |
| 207 | K | 72.3 | Confident | 73.8 | Confident | 108 Ų | 108 | 68.9 Ų | 68.9 | 47% | 0.47 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -4 | 179.1 | -63.1 | 172.3 | 174.9 | 167.6 | 0 | 112.1 | M199 E203 K209 | M199-K207 HydrophobicContact CE-CD 3.63Å; M199-K207 VanDerWaalsContact CE-NZ 3.33Å; E203-K207 HydrophobicContact CB-CD 4.37Å; E203-K207 WeakPolarHBondContact O-CB 3.39Å; E203-K207 VanDerWaalsContact O-CG 3.31Å; E203-K207 WeakPolarHBondContact O-CG 3.42Å; E203-K207 PolarHBondContact O-N 3.03Å; E203-K207 IonicContact OE2-NZ 2.81Å; E203-K207 PolarHBondContact OE2-NZ 3.33Å; K207-K209 HydrophobicContact CB-CD 4.43Å; K207-K209 HydrophobicContact CB-CG 4.03Å; K207-K209 PolarHBondContact O-N 3.21Å |
| 208 | R | 69.1 | Low | 74.7 | Confident | 163 Ų | 163 | 64.9 Ų | 64.9 | 62% | 0.615 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 27.6 | -173.5 | -63.9 | -177.8 | 176.5 | 163.4 | -1.3 | 114 | A204 T205 I206 V210 | A204-R208 CarbonylContact O-C 3.57Å; A204-R208 VanDerWaalsContact O-CA 3.25Å; A204-R208 WeakPolarHBondContact O-CA 3.38Å; A204-R208 PolarHBondContact O-N 2.91Å; T205-R208 PolarHBondContact O-N 3.07Å; I206-R208 PolarHBondContact O-N 3.27Å; R208-V210 PolarHBondContact O-N 3.4Å |
| 209 | K | 72.7 | Confident | 75.4 | Confident | 98 Ų | 98 | 59.5 Ų | 59.5 | 43% | 0.426 | 28% | 0.281 | S | S | . | . | trans | -81.6 | 67.5 | 173.7 | -66.9 | -168.9 | 174 | -162.1 | 0 | 109.2 | E195 A204 K207 | E195-K209 PolarHBondContact N-O 2.78Å; A204-K209 PolarHBondContact O-N 3.45Å; K207-K209 HydrophobicContact CB-CD 4.43Å; K207-K209 HydrophobicContact CB-CG 4.03Å; K207-K209 PolarHBondContact O-N 3.21Å | ||
| 210 | V | 73.1 | Confident | 76.4 | Confident | 17 Ų | 17 | 60.4 Ų | 60.4 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -90.6 | 138.9 | 174.9 | -170.5 | 0 | 0 | 0 | 0 | 107.5 | V167 V192 V193 R208 | V167-V210 HydrophobicContact CG1-CB 4.11Å; V167-V210 HydrophobicContact CG1-CG2 3.84Å; V167-V210 HydrophobicContact CG2-CG1 4.3Å; V192-V210 HydrophobicContact CG1-CG1 4.44Å; V192-V210 HydrophobicContact CG1-CG2 3.77Å; V193-V210 WeakPolarHBondContact O-CA 3.45Å; R208-V210 PolarHBondContact O-N 3.4Å |
| 211 | H | 73.4 | Confident | 77.3 | Confident | 50 Ų | 50 | 58.5 Ų | 58.5 | 23% | 0.231 | 27% | 0.269 | C | S | . | . | trans | -54.5 | 127.2 | 178 | -168.6 | -32.9 | 0 | 0 | 0 | 110 | V193 K213 K214 | V193-H211 HydrophobicContact CG1-CB 4.03Å; V193-H211 PolarHBondContact O-N 2.77Å; V193-H211 VanDerWaalsContact O-N 3.11Å; H211-K213 PolarHBondContact ND1-N 3.15Å; H211-K213 PolarHBondContact O-N 3.12Å; H211-K214 PolarHBondContact O-N 3.05Å | ||
| 212 | P | 76.3 | Confident | 78.5 | Confident | 90 Ų | 90 | 52.3 Ų | 52.3 | 58% | 0.584 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -22.9 | -173.6 | 18 | -33.7 | 0 | 0 | 0 | 114.8 | K214 | P212-K214 VanDerWaalsContact C-N 3.3Å; P212-K214 PolarHBondContact O-N 3.46Å |
| 213 | K | 75.3 | Confident | 80 | Confident | 117 Ų | 117 | 50.3 Ų | 50.3 | 51% | 0.509 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -19.1 | 177.8 | -64.7 | -176 | 179.9 | -177.5 | 0 | 113.2 | H211 R294 | H211-K213 PolarHBondContact ND1-N 3.15Å; H211-K213 PolarHBondContact O-N 3.12Å; K213-R294 PolarHBondContact O-NH1 3.37Å |
| 214 | K | 75.3 | Confident | 81.3 | Confident | 18 Ų | 18 | 52.4 Ų | 52.4 | 8% | 0.078 | 25% | 0.246 | C | C | . | . | trans | -102.8 | 94.4 | 179.2 | -167.2 | 171.7 | -170 | -83.7 | 0 | 110.1 | V167 S191 V193 H211 P212 S216 | V167-K214 VanDerWaalsContact CG2-O 3.26Å; V167-K214 WeakPolarHBondContact CG2-O 3.31Å; S191-K214 WeakPolarHBondContact O-CE 3.34Å; S191-K214 PolarHBondContact O-NZ 3.08Å; V193-K214 HydrophobicContact CB-CD 3.77Å; V193-K214 HydrophobicContact CG2-CD 3.33Å; H211-K214 PolarHBondContact O-N 3.05Å; P212-K214 VanDerWaalsContact C-N 3.3Å; P212-K214 PolarHBondContact O-N 3.46Å; K214-S216 VanDerWaalsContact C-N 3.33Å; K214-S216 WeakPolarHBondContact CG-O 3.42Å; K214-S216 PolarHBondContact NZ-O 3.42Å | ||
| 215 | Q | 79.1 | Confident | 82.4 | Confident | 90 Ų | 90 | 56.2 Ų | 56.2 | 42% | 0.421 | 27% | 0.266 | S | S | . | . | trans | -83.7 | -6.2 | -178.7 | -61.3 | -179.8 | 4.1 | 0 | 0 | 113.7 | V167 F244 K273 | V167-Q215 PolarHBondContact N-O 2.99Å; Q215-F244 HydrophobicContact CB-CZ 4.21Å; Q215-F244 VanDerWaalsContact O-CE1 3.3Å; Q215-F244 WeakPolarHBondContact O-CE1 3.48Å; Q215-K273 VanDerWaalsContact OE1-CE 3.26Å | ||
| 216 | S | 87 | Confident | 83.5 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 14% | 0.14 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 150.2 | 179.8 | 66.6 | 0 | 0 | 0 | 0 | 114.5 | N164 L165 K214 | N164-S216 WeakPolarHBondContact OD1-CB 3.24Å; L165-S216 CarbonylContact O-C 3.54Å; L165-S216 WeakPolarHBondContact O-CA 3.29Å; K214-S216 VanDerWaalsContact C-N 3.33Å; K214-S216 WeakPolarHBondContact CG-O 3.42Å; K214-S216 PolarHBondContact NZ-O 3.42Å |
| 217 | I | 87.5 | Confident | 84.6 | Confident | 10 Ų | 10 | 63 Ų | 63 | 5% | 0.051 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 155.5 | -177.6 | -60.1 | -177.8 | 0 | 0 | 0 | 108.5 | L165 V167 F189 R190 V192 | L165-I217 WeakPolarHBondContact CB-O 3.22Å; L165-I217 PolarHBondContact N-O 3.32Å; L165-I217 PolarHBondContact O-N 3.25Å; V167-I217 HydrophobicContact CB-CD1 4.12Å; V167-I217 HydrophobicContact CG1-CD1 4.13Å; V167-I217 HydrophobicContact CG2-CD1 3.93Å; V167-I217 HydrophobicContact CG2-CG1 3.88Å; F189-I217 HydrophobicContact CB-CG2 4.13Å; F189-I217 HydrophobicContact CD1-CG2 3.85Å; F189-I217 HydrophobicContact CG-CG2 4.2Å; R190-I217 WeakPolarHBondContact O-CG2 3.4Å; V192-I217 HydrophobicContact CG2-CD1 4.45Å; V192-I217 HydrophobicContact CG2-CG2 4.21Å |
| 218 | N | 91.1 | Very high | 85.6 | Confident | 39 Ų | 39 | 58 Ų | 58 | 21% | 0.209 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 155.8 | 173 | -60.3 | -22.9 | 0 | 0 | 0 | 109.7 | F161 V162 F189 R190 | F161-N218 HydrophobicContact CE2-CB 3.8Å; F161-N218 HydrophobicContact CZ-CB 4.08Å; V162-N218 CarbonylContact O-C 3.38Å; V162-N218 WeakPolarHBondContact O-CA 3.46Å; F189-N218 CarbonylContact C-O 3.58Å; R190-N218 WeakPolarHBondContact CA-O 3.37Å; R190-N218 PolarHBondContact N-O 3.44Å; R190-N218 PolarHBondContact O-N 3.22Å; R190-N218 VanDerWaalsContact O-O 3.07Å |
| 219 | A | 91.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 157.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V162 L165 L174 R188 F189 | V162-A219 HydrophobicContact CB-CB 4.4Å; V162-A219 PolarHBondContact N-O 2.68Å; V162-A219 PolarHBondContact O-N 3.11Å; L165-A219 HydrophobicContact CD1-CB 3.62Å; L174-A219 HydrophobicContact CD2-CB 3.57Å; R188-A219 CarbonylContact O-C 3.46Å; R188-A219 WeakPolarHBondContact O-CA 3.32Å; R188-A219 WeakPolarHBondContact O-CB 3.32Å; F189-A219 HydrophobicContact CD1-CB 3.86Å; F189-A219 HydrophobicContact CE1-CB 4.25Å |
| 220 | Y | 93.3 | Very high | 87.7 | Confident | 59 Ų | 59 | 48.6 Ų | 48.6 | 23% | 0.231 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 135.1 | 162.1 | -65.3 | -77.7 | 0 | 0 | 0 | 108.9 | V160 F161 A187 R188 R190 V251 | V160-Y220 VanDerWaalsContact O-CA 3.31Å; V160-Y220 WeakPolarHBondContact O-CA 3.48Å; F161-Y220 HydrophobicContact CB-CD1 4.29Å; F161-Y220 HydrophobicContact CB-CE1 4.06Å; F161-Y220 HydrophobicContact CD2-CD1 4.26Å; F161-Y220 AromaticContact CD2-CE1 3.66Å; F161-Y220 HydrophobicContact CD2-CE1 3.66Å; F161-Y220 AromaticContact CD2-CZ 3.97Å; F161-Y220 HydrophobicContact CG-CE1 4.35Å; A187-Y220 CarbonylContact C-O 3.5Å; A187-Y220 WeakPolarHBondContact CA-O 3.29Å; R188-Y220 HydrophobicContact CG-CD2 4.42Å; R188-Y220 PolarHBondContact N-O 3.37Å; R188-Y220 PolarHBondContact O-N 3.42Å; R190-Y220 HydrophobicContact CB-CD2 4.46Å; R190-Y220 HydrophobicContact CB-CE2 4.35Å; R190-Y220 HydrophobicContact CG-CD2 3.49Å; R190-Y220 VanDerWaalsContact CG-CD2 3.49Å; R190-Y220 HydrophobicContact CG-CE2 3.62Å; Y220-V251 HydrophobicContact CD1-CG2 3.56Å; Y220-V251 HydrophobicContact CE1-CG1 4.32Å; Y220-V251 HydrophobicContact CE1-CG2 3.54Å |
| 221 | V | 94.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123.4 | 174.7 | -176.7 | 0 | 0 | 0 | 0 | 107.4 | T159 V160 V162 L174 F178 I184 A187 F223 | T159-V221 CarbonylContact C-O 3.56Å; T159-V221 VanDerWaalsContact CA-O 3.3Å; T159-V221 WeakPolarHBondContact CA-O 3.47Å; V160-V221 PolarHBondContact N-O 3.07Å; V160-V221 PolarHBondContact O-N 3Å; V162-V221 HydrophobicContact CG2-CG2 4.13Å; L174-V221 HydrophobicContact CD1-CG2 4.45Å; L174-V221 HydrophobicContact CD2-CG2 4.13Å; L174-V221 HydrophobicContact CG-CG2 4.26Å; F178-V221 HydrophobicContact CD2-CG2 4.35Å; I184-V221 HydrophobicContact CD1-CG1 4.27Å; I184-V221 HydrophobicContact CG1-CG1 4.27Å; I184-V221 HydrophobicContact CG2-CG1 3.79Å; A187-V221 HydrophobicContact CB-CG2 4.3Å; V221-F223 HydrophobicContact CB-CE2 4.34Å; V221-F223 HydrophobicContact CG1-CD2 4.34Å; V221-F223 HydrophobicContact CG1-CE2 3.87Å; V221-F223 HydrophobicContact CG1-CZ 4.06Å |
| 222 | V | 94.4 | Very high | 89.7 | Confident | 8 Ų | 8 | 48.2 Ų | 48.2 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 119.6 | 177.5 | -172.7 | 0 | 0 | 0 | 0 | 107.6 | T159 I184 E185 S186 | T159-V222 HydrophobicContact CG2-CB 3.99Å; T159-V222 HydrophobicContact CG2-CG1 4Å; T159-V222 HydrophobicContact CG2-CG2 3.38Å; I184-V222 WeakPolarHBondContact CG2-O 3.47Å; E185-V222 HydrophobicContact CB-CB 4.35Å; E185-V222 HydrophobicContact CB-CG1 4.13Å; E185-V222 WeakPolarHBondContact CB-O 3.37Å; E185-V222 PolarHBondContact N-O 3.35Å; S186-V222 PolarHBondContact N-O 3.15Å; S186-V222 PolarHBondContact O-N 3.24Å; S186-V222 WeakPolarHBondContact OG-CG2 3.47Å |
| 223 | F | 95.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 156 | 174.1 | -70.6 | -87.9 | 0 | 0 | 0 | 111 | R158 V160 F178 I184 V221 N225 V229 A232 | R158-F223 WeakPolarHBondContact CB-O 3.4Å; R158-F223 PolarHBondContact O-N 3.36Å; V160-F223 HydrophobicContact CB-CE2 4.19Å; V160-F223 HydrophobicContact CG2-CD2 3.86Å; V160-F223 HydrophobicContact CG2-CE2 3.54Å; F178-F223 HydrophobicContact CB-CE1 4.37Å; F178-F223 HydrophobicContact CB-CZ 3.92Å; F178-F223 HydrophobicContact CD1-CZ 4.23Å; F178-F223 HydrophobicContact CG-CZ 4.33Å; I184-F223 HydrophobicContact CG1-CD1 4.02Å; I184-F223 HydrophobicContact CG1-CE1 3.77Å; V221-F223 HydrophobicContact CB-CE2 4.34Å; V221-F223 HydrophobicContact CG1-CD2 4.34Å; V221-F223 HydrophobicContact CG1-CE2 3.87Å; V221-F223 HydrophobicContact CG1-CZ 4.06Å; F223-N225 VanDerWaalsContact C-N 3.33Å; F223-N225 VanDerWaalsContact CB-O 3.27Å; F223-N225 WeakPolarHBondContact CB-O 3.44Å; F223-V229 HydrophobicContact CD2-CG2 4.13Å; F223-A232 HydrophobicContact CE2-CB 4.12Å; F223-A232 HydrophobicContact CZ-CB 4.12Å |
| 224 | K | 94.4 | Very high | 91.2 | Very high | 122 Ų | 122 | 47.4 Ų | 47.4 | 53% | 0.53 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -67.8 | -38.5 | 169.9 | -61.8 | -170.7 | -175.4 | 178.7 | 0 | 110.9 | R158 P183 E185 | R158-K224 WeakPolarHBondContact CD-O 3.47Å; R158-K224 PolarHBondContact NH1-O 3.47Å; P183-K224 HydrophobicContact CB-CB 4.43Å; P183-K224 HydrophobicContact CB-CD 4.06Å; P183-K224 HydrophobicContact CB-CG 4.29Å; P183-K224 HydrophobicContact CG-CB 4.16Å; P183-K224 HydrophobicContact CG-CD 4.5Å; P183-K224 PolarHBondContact O-N 3.32Å; E185-K224 HydrophobicContact CB-CG 4.16Å |
| 225 | N | 94.9 | Very high | 92 | Very high | 80 Ų | 80 | 48.3 Ų | 48.3 | 43% | 0.428 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -113.2 | 151.3 | -176.5 | -59.9 | -7.9 | 0 | 0 | 0 | 111.6 | F223 E227 G228 | F223-N225 VanDerWaalsContact C-N 3.33Å; F223-N225 VanDerWaalsContact CB-O 3.27Å; F223-N225 WeakPolarHBondContact CB-O 3.44Å; N225-E227 VanDerWaalsContact C-N 3.3Å; N225-G228 PolarHBondContact O-N 3.25Å |
| 226 | E | 92.3 | Very high | 92.6 | Very high | 101 Ų | 101 | 45.6 Ų | 45.6 | 47% | 0.472 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.7 | -25.6 | 173.8 | -66.3 | -174.9 | 175.1 | 0 | 0 | 112.4 | R158 G228 V229 T230 | R158-E226 HydrophobicContact CG-CG 3.51Å; E226-G228 PolarHBondContact O-N 3.44Å; E226-V229 WeakPolarHBondContact O-CA 3.22Å; E226-V229 WeakPolarHBondContact O-CB 3.23Å; E226-V229 PolarHBondContact O-N 3.16Å; E226-T230 PolarHBondContact O-N 2.76Å |
| 227 | E | 93.2 | Very high | 92.6 | Very high | 133 Ų | 133 | 45.7 Ų | 45.7 | 62% | 0.621 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -62.3 | -32 | 173.8 | -63.2 | 172.3 | -179.2 | 0 | 0 | 112.5 | N225 V229 T230 N231 | N225-E227 VanDerWaalsContact C-N 3.3Å; E227-V229 PolarHBondContact O-N 2.86Å; E227-T230 WeakPolarHBondContact CA-OG1 3.45Å; E227-T230 PolarHBondContact O-N 3.31Å; E227-T230 PolarHBondContact O-OG1 3.37Å; E227-N231 WeakPolarHBondContact O-CB 3.2Å; E227-N231 PolarHBondContact O-N 2.96Å; E227-N231 PolarHBondContact O-ND2 2.84Å; E227-N231 PolarHBondContact O-OD1 2.76Å |
| 228 | G | 93.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -31.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N225 E226 A232 | N225-G228 PolarHBondContact O-N 3.25Å; E226-G228 PolarHBondContact O-N 3.44Å; G228-A232 WeakPolarHBondContact O-CB 3.5Å; G228-A232 PolarHBondContact O-N 2.69Å |
| 229 | V | 93.3 | Very high | 92.7 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72 | -43.8 | 176.9 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | R158 V160 F223 E226 E227 N231 A232 L233 R250 | R158-V229 WeakPolarHBondContact O-CG2 3.27Å; V160-V229 HydrophobicContact CG2-CB 3.95Å; V160-V229 HydrophobicContact CG2-CG1 3.81Å; V160-V229 HydrophobicContact CG2-CG2 3.77Å; F223-V229 HydrophobicContact CD2-CG2 4.13Å; E226-V229 WeakPolarHBondContact O-CA 3.22Å; E226-V229 WeakPolarHBondContact O-CB 3.23Å; E226-V229 PolarHBondContact O-N 3.16Å; E227-V229 PolarHBondContact O-N 2.86Å; V229-N231 VanDerWaalsContact C-N 3.34Å; V229-A232 PolarHBondContact O-N 2.95Å; V229-L233 WeakPolarHBondContact O-CG 3.34Å; V229-L233 PolarHBondContact O-N 3.11Å; V229-R250 HydrophobicContact CG1-CG 3.78Å |
| 230 | T | 93 | Very high | 92.5 | Very high | 60 Ų | 60 | 54.2 Ų | 54.2 | 37% | 0.368 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 177.4 | 49.9 | 0 | 0 | 0 | 0 | 110.8 | E226 E227 A232 L233 R250 | E226-T230 PolarHBondContact O-N 2.76Å; E227-T230 WeakPolarHBondContact CA-OG1 3.45Å; E227-T230 PolarHBondContact O-N 3.31Å; E227-T230 PolarHBondContact O-OG1 3.37Å; T230-A232 VanDerWaalsContact C-N 3.34Å; T230-A232 PolarHBondContact O-N 3.31Å; T230-L233 WeakPolarHBondContact O-CB 3.44Å; T230-L233 PolarHBondContact O-N 3.11Å; T230-R250 VanDerWaalsContact CG2-NH2 3.27Å |
| 231 | N | 94.3 | Very high | 92.1 | Very high | 60 Ų | 60 | 55.7 Ų | 55.7 | 32% | 0.321 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.7 | -33.9 | -177.7 | -59.9 | -11.5 | 0 | 0 | 0 | 111.4 | K181 E227 V229 L233 E234 | K181-N231 HydrophobicContact CB-CB 3.92Å; K181-N231 HydrophobicContact CD-CB 3.83Å; K181-N231 WeakPolarHBondContact CD-O 3.42Å; K181-N231 HydrophobicContact CG-CB 4.36Å; K181-N231 PolarHBondContact O-ND2 3.48Å; E227-N231 WeakPolarHBondContact O-CB 3.2Å; E227-N231 PolarHBondContact O-N 2.96Å; E227-N231 PolarHBondContact O-ND2 2.84Å; E227-N231 PolarHBondContact O-OD1 2.76Å; V229-N231 VanDerWaalsContact C-N 3.34Å; N231-L233 VanDerWaalsContact C-N 3.28Å; N231-L233 PolarHBondContact O-N 2.91Å; N231-E234 WeakPolarHBondContact O-CB 3.46Å; N231-E234 PolarHBondContact O-N 3.42Å |
| 232 | A | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.4 | -31.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V160 F178 F223 G228 V229 T230 E234 R235 V248 | V160-A232 HydrophobicContact CG1-CB 4.35Å; V160-A232 HydrophobicContact CG2-CB 4.03Å; F178-A232 HydrophobicContact CD1-CB 3.89Å; F178-A232 HydrophobicContact CE1-CB 3.9Å; F223-A232 HydrophobicContact CE2-CB 4.12Å; F223-A232 HydrophobicContact CZ-CB 4.12Å; G228-A232 WeakPolarHBondContact O-CB 3.5Å; G228-A232 PolarHBondContact O-N 2.69Å; V229-A232 PolarHBondContact O-N 2.95Å; T230-A232 VanDerWaalsContact C-N 3.34Å; T230-A232 PolarHBondContact O-N 3.31Å; A232-E234 PolarHBondContact O-N 2.69Å; A232-R235 WeakPolarHBondContact O-CB 3.2Å; A232-R235 PolarHBondContact O-N 3.35Å; A232-V248 HydrophobicContact CB-CG1 4.39Å; A232-V248 WeakPolarHBondContact O-CG1 3.48Å |
| 233 | L | 92.1 | Very high | 91.2 | Very high | 55 Ų | 55 | 65.5 Ų | 65.5 | 29% | 0.288 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.3 | -27.8 | 178.8 | -69.6 | 172.4 | 0 | 0 | 0 | 113 | V229 T230 N231 R235 N236 V248 R250 | V229-L233 WeakPolarHBondContact O-CG 3.34Å; V229-L233 PolarHBondContact O-N 3.11Å; T230-L233 WeakPolarHBondContact O-CB 3.44Å; T230-L233 PolarHBondContact O-N 3.11Å; N231-L233 VanDerWaalsContact C-N 3.28Å; N231-L233 PolarHBondContact O-N 2.91Å; L233-R235 PolarHBondContact O-N 3.1Å; L233-R235 VanDerWaalsContact O-N 3.16Å; L233-N236 VanDerWaalsContact O-CB 3.24Å; L233-N236 WeakPolarHBondContact O-CB 3.43Å; L233-N236 PolarHBondContact O-N 2.96Å; L233-V248 WeakPolarHBondContact CD2-O 3.28Å; L233-R250 HydrophobicContact CD1-CG 3.97Å; L233-R250 HydrophobicContact CD2-CG 4.1Å; L233-R250 HydrophobicContact CG-CG 4.42Å |
| 234 | E | 91.4 | Very high | 90.9 | Very high | 134 Ų | 134 | 67.2 Ų | 67.2 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.5 | 175.8 | -58.6 | 174.1 | 164.8 | 0 | 0 | 112.7 | K181 N231 A232 N236 | K181-E234 IonicContact NZ-OE2 2.68Å; K181-E234 PolarHBondContact NZ-OE2 2.8Å; N231-E234 WeakPolarHBondContact O-CB 3.46Å; N231-E234 PolarHBondContact O-N 3.42Å; A232-E234 PolarHBondContact O-N 2.69Å; E234-N236 VanDerWaalsContact C-N 3.25Å; E234-N236 PolarHBondContact O-N 2.85Å |
| 235 | R | 90.9 | Very high | 90.8 | Very high | 37 Ų | 37 | 62.4 Ų | 62.4 | 14% | 0.14 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 1.7 | 175.9 | -71.6 | -152.8 | 156.8 | 91.2 | 15.2 | 114.1 | L177 F178 D180 K181 A232 L233 G237 M238 I246 V248 | L177-R235 WeakPolarHBondContact O-CD 3.32Å; L177-R235 PolarHBondContact O-NE 3.31Å; L177-R235 PolarHBondContact O-NH1 2.71Å; F178-R235 HydrophobicContact CE1-CB 4.41Å; D180-R235 VanDerWaalsContact CG-NH1 3.26Å; D180-R235 VanDerWaalsContact CG-NH2 3.3Å; D180-R235 IonicContact OD1-CZ 2.62Å; D180-R235 IonicContact OD1-NH1 2.78Å; D180-R235 PolarHBondContact OD1-NH1 3.38Å; D180-R235 IonicContact OD1-NH2 2.73Å; D180-R235 PolarHBondContact OD1-NH2 2.79Å; D180-R235 IonicContact OD2-CZ 3.19Å; D180-R235 VanDerWaalsContact OD2-CZ 3.26Å; D180-R235 IonicContact OD2-NH1 3.33Å; D180-R235 PolarHBondContact OD2-NH1 3.03Å; D180-R235 IonicContact OD2-NH2 3.64Å; D180-R235 PolarHBondContact OD2-NH2 2.95Å; K181-R235 VanDerWaalsContact CE-NH1 3.3Å; A232-R235 WeakPolarHBondContact O-CB 3.2Å; A232-R235 PolarHBondContact O-N 3.35Å; L233-R235 PolarHBondContact O-N 3.1Å; L233-R235 VanDerWaalsContact O-N 3.16Å; R235-G237 PolarHBondContact O-N 2.93Å; R235-M238 HydrophobicContact CB-CE 4.42Å; R235-M238 HydrophobicContact CG-CE 3.9Å; R235-M238 VanDerWaalsContact O-CB 3.3Å; R235-M238 WeakPolarHBondContact O-CB 3.49Å; R235-M238 PolarHBondContact O-N 2.74Å; R235-I246 HydrophobicContact CB-CD1 4.32Å; R235-I246 WeakPolarHBondContact O-CG1 3.31Å; R235-V248 HydrophobicContact CB-CG2 4.38Å |
| 236 | N | 92.5 | Very high | 90.7 | Very high | 33 Ų | 33 | 58.8 Ų | 58.8 | 18% | 0.176 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 131.5 | 177.1 | -165.3 | 22.9 | 0 | 0 | 0 | 110.4 | L233 E234 I246 R247 V248 E288 | L233-N236 VanDerWaalsContact O-CB 3.24Å; L233-N236 WeakPolarHBondContact O-CB 3.43Å; L233-N236 PolarHBondContact O-N 2.96Å; E234-N236 VanDerWaalsContact C-N 3.25Å; E234-N236 PolarHBondContact O-N 2.85Å; N236-I246 PolarHBondContact OD1-O 3.27Å; N236-R247 WeakPolarHBondContact OD1-CA 3.49Å; N236-V248 HydrophobicContact CB-CB 4.23Å; N236-V248 PolarHBondContact OD1-N 2.84Å; N236-E288 VanDerWaalsContact ND2-CG 3.3Å; N236-E288 WeakPolarHBondContact ND2-CG 3.18Å; N236-E288 PolarHBondContact ND2-OE1 3.47Å |
| 237 | G | 87.3 | Confident | 90.7 | Very high | 22 Ų | 22 | 55.6 Ų | 55.6 | 23% | 0.227 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | 2.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R235 I246 | R235-G237 PolarHBondContact O-N 2.93Å; G237-I246 WeakPolarHBondContact CA-O 3.31Å; G237-I246 PolarHBondContact N-O 3.02Å |
| 238 | M | 89.2 | Confident | 90.6 | Very high | 72 Ų | 72 | 49.2 Ų | 49.2 | 36% | 0.355 | 25% | 0.245 | S | C | . | . | trans | -66.4 | 138.2 | 175.2 | 179.4 | 177.8 | -71.2 | 0 | 0 | 111.5 | R235 H245 I246 | R235-M238 HydrophobicContact CB-CE 4.42Å; R235-M238 HydrophobicContact CG-CE 3.9Å; R235-M238 VanDerWaalsContact O-CB 3.3Å; R235-M238 WeakPolarHBondContact O-CB 3.49Å; R235-M238 PolarHBondContact O-N 2.74Å; M238-H245 CarbonylContact O-C 3.55Å; M238-H245 WeakPolarHBondContact O-CA 3.27Å; M238-I246 HydrophobicContact CB-CD1 4.1Å; M238-I246 HydrophobicContact CB-CG1 3.99Å; M238-I246 WeakPolarHBondContact O-CG1 3.33Å; M238-I246 PolarHBondContact O-N 2.86Å | ||
| 239 | E | 90.6 | Very high | 90.5 | Very high | 104 Ų | 104 | 50.8 Ų | 50.8 | 49% | 0.486 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 123.4 | 174 | -169.5 | 174.6 | -161.2 | 0 | 0 | 110.3 | E241 K242 G243 F244 | E239-E241 VanDerWaalsContact CG-O 3.32Å; E239-E241 WeakPolarHBondContact CG-O 3.37Å; E239-K242 VanDerWaalsContact OE1-CA 3.31Å; E239-K242 WeakPolarHBondContact OE1-CA 3.3Å; E239-G243 PolarHBondContact OE1-N 3.37Å; E239-F244 WeakPolarHBondContact CA-O 3.37Å |
| 240 | I | 87.4 | Confident | 90.4 | Very high | 53 Ų | 53 | 56.6 Ų | 56.6 | 27% | 0.272 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -46.4 | 176.1 | -67.5 | 175.9 | 0 | 0 | 0 | 111 | L165 L177 F244 I246 | L165-I240 HydrophobicContact CD2-CD1 3.51Å; L177-I240 HydrophobicContact CD1-CD1 3.33Å; L177-I240 HydrophobicContact CD1-CG1 3.81Å; I240-F244 PolarHBondContact N-O 3.32Å; I240-I246 HydrophobicContact CD1-CD1 4.5Å; I240-I246 HydrophobicContact CD1-CG2 3.16Å; I240-I246 HydrophobicContact CG1-CG2 3.73Å |
| 241 | E | 85.8 | Confident | 90.1 | Very high | 90 Ų | 90 | 55.3 Ų | 55.3 | 42% | 0.421 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 154.3 | -177.9 | -175.2 | 172 | -176.3 | 0 | 0 | 106.9 | P166 S168 E239 G243 F244 | P166-E241 WeakPolarHBondContact CB-OE2 3.47Å; P166-E241 HydrophobicContact CG-CB 4.28Å; P166-E241 WeakPolarHBondContact CG-OE2 3.43Å; S168-E241 PolarHBondContact OG-OE2 3.14Å; E239-E241 VanDerWaalsContact CG-O 3.32Å; E239-E241 WeakPolarHBondContact CG-O 3.37Å; E241-G243 PolarHBondContact O-N 3.13Å; E241-F244 HydrophobicContact CB-CB 4.39Å; E241-F244 HydrophobicContact CB-CD2 4.1Å; E241-F244 HydrophobicContact CG-CD2 4.36Å; E241-F244 PolarHBondContact O-N 2.92Å |
| 242 | K | 85.6 | Confident | 89.5 | Confident | 200 Ų | 200 | 56.1 Ų | 56.1 | 87% | 0.87 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 112 | -176 | -68.7 | -175.1 | 178.7 | -177.4 | 0 | 110.9 | E239 | E239-K242 VanDerWaalsContact OE1-CA 3.31Å; E239-K242 WeakPolarHBondContact OE1-CA 3.3Å |
| 243 | G | 83.9 | Confident | 88.3 | Confident | 15 Ų | 15 | 61.8 Ų | 61.8 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | -2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | E239 E241 | E239-G243 PolarHBondContact OE1-N 3.37Å; E241-G243 PolarHBondContact O-N 3.13Å |
| 244 | F | 90.2 | Very high | 87 | Confident | 35 Ų | 35 | 68 Ų | 68 | 15% | 0.154 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 95.7 | 179.1 | -71.2 | -87.3 | 0 | 0 | 0 | 111.1 | P166 Q215 E239 I240 E241 | P166-F244 HydrophobicContact CB-CD1 3.9Å; P166-F244 HydrophobicContact CB-CD2 3.97Å; P166-F244 HydrophobicContact CB-CE1 3.95Å; P166-F244 HydrophobicContact CB-CE2 4.01Å; P166-F244 HydrophobicContact CB-CG 3.9Å; P166-F244 HydrophobicContact CB-CZ 4Å; P166-F244 HydrophobicContact CG-CG 4.35Å; Q215-F244 HydrophobicContact CB-CZ 4.21Å; Q215-F244 VanDerWaalsContact O-CE1 3.3Å; Q215-F244 WeakPolarHBondContact O-CE1 3.48Å; E239-F244 WeakPolarHBondContact CA-O 3.37Å; I240-F244 PolarHBondContact N-O 3.32Å; E241-F244 HydrophobicContact CB-CB 4.39Å; E241-F244 HydrophobicContact CB-CD2 4.1Å; E241-F244 HydrophobicContact CG-CD2 4.36Å; E241-F244 PolarHBondContact O-N 2.92Å |
| 245 | H | 91.6 | Very high | 85.6 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 10% | 0.102 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 123.2 | 173.6 | -60.6 | 73.9 | 0 | 0 | 0 | 108.9 | N164 M238 R278 | N164-H245 WeakPolarHBondContact CB-O 3.02Å; N164-H245 PolarHBondContact ND2-O 3.45Å; M238-H245 CarbonylContact O-C 3.55Å; M238-H245 WeakPolarHBondContact O-CA 3.27Å; H245-R278 PolarHBondContact CD2-NH1 2.77Å; H245-R278 PolarHBondContact NE2-NH1 3.25Å; H245-R278 VanDerWaalsContact NE2-NH1 3.12Å |
| 246 | I | 92.5 | Very high | 84.7 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.015 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -76 | 141.9 | 179 | 60.3 | 178 | 0 | 0 | 0 | 111.7 | V162 L165 F178 R235 N236 G237 M238 I240 V248 | V162-I246 HydrophobicContact CG1-CB 4.43Å; V162-I246 HydrophobicContact CG1-CG2 4.5Å; L165-I246 HydrophobicContact CD2-CG2 3.65Å; F178-I246 HydrophobicContact CZ-CD1 4.34Å; R235-I246 HydrophobicContact CB-CD1 4.32Å; R235-I246 WeakPolarHBondContact O-CG1 3.31Å; N236-I246 PolarHBondContact OD1-O 3.27Å; G237-I246 WeakPolarHBondContact CA-O 3.31Å; G237-I246 PolarHBondContact N-O 3.02Å; M238-I246 HydrophobicContact CB-CD1 4.1Å; M238-I246 HydrophobicContact CB-CG1 3.99Å; M238-I246 WeakPolarHBondContact O-CG1 3.33Å; M238-I246 PolarHBondContact O-N 2.86Å; I240-I246 HydrophobicContact CD1-CD1 4.5Å; I240-I246 HydrophobicContact CD1-CG2 3.16Å; I240-I246 HydrophobicContact CG1-CG2 3.73Å; I246-V248 HydrophobicContact CB-CG2 4.44Å; I246-V248 HydrophobicContact CD1-CG2 3.73Å; I246-V248 HydrophobicContact CG1-CG2 3.95Å |
| 247 | R | 91.7 | Very high | 84 | Confident | 34 Ų | 34 | 70.1 Ų | 70.1 | 13% | 0.128 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 118.2 | 169.3 | 174.5 | -178.3 | 167.2 | 130.8 | 10.8 | 108.7 | V162 G163 N236 D249 A289 | V162-R247 CarbonylContact C-O 3.36Å; V162-R247 VanDerWaalsContact CA-O 3.32Å; V162-R247 WeakPolarHBondContact CA-O 3.39Å; G163-R247 PolarHBondContact N-O 3.32Å; G163-R247 PolarHBondContact O-N 3.31Å; G163-R247 VanDerWaalsContact O-N 3.1Å; N236-R247 WeakPolarHBondContact OD1-CA 3.49Å; R247-D249 IonicContact CZ-OD2 3.8Å; R247-D249 IonicContact NE-OD2 2.87Å; R247-D249 PolarHBondContact NE-OD2 3.39Å; R247-D249 IonicContact NH2-OD2 2.78Å; R247-D249 PolarHBondContact NH2-OD2 3.08Å; R247-A289 HydrophobicContact CG-CB 3.97Å |
| 248 | V | 92.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 113.5 | -179.8 | -170.3 | 0 | 0 | 0 | 0 | 109.7 | V160 F161 F178 A232 L233 R235 N236 I246 | V160-V248 HydrophobicContact CG1-CG1 3.28Å; F161-V248 WeakPolarHBondContact O-CA 3.42Å; F178-V248 HydrophobicContact CE1-CG1 4.32Å; F178-V248 HydrophobicContact CE1-CG2 4.4Å; F178-V248 HydrophobicContact CZ-CG1 4.47Å; F178-V248 HydrophobicContact CZ-CG2 4.04Å; A232-V248 HydrophobicContact CB-CG1 4.39Å; A232-V248 WeakPolarHBondContact O-CG1 3.48Å; L233-V248 WeakPolarHBondContact CD2-O 3.28Å; R235-V248 HydrophobicContact CB-CG2 4.38Å; N236-V248 HydrophobicContact CB-CB 4.23Å; N236-V248 PolarHBondContact OD1-N 2.84Å; I246-V248 HydrophobicContact CB-CG2 4.44Å; I246-V248 HydrophobicContact CD1-CG2 3.73Å; I246-V248 HydrophobicContact CG1-CG2 3.95Å |
| 249 | D | 91.1 | Very high | 83.7 | Confident | 34 Ų | 34 | 71.5 Ų | 71.5 | 18% | 0.182 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 157.8 | -178.4 | -68.8 | -32.1 | 0 | 0 | 0 | 112 | F161 R247 | F161-D249 HydrophobicContact CB-CB 4.4Å; F161-D249 HydrophobicContact CD1-CB 4.28Å; F161-D249 PolarHBondContact N-O 3.33Å; F161-D249 PolarHBondContact O-N 3.09Å; R247-D249 IonicContact CZ-OD2 3.8Å; R247-D249 IonicContact NE-OD2 2.87Å; R247-D249 PolarHBondContact NE-OD2 3.39Å; R247-D249 IonicContact NH2-OD2 2.78Å; R247-D249 PolarHBondContact NH2-OD2 3.08Å |
| 250 | R | 90.7 | Very high | 83.7 | Confident | 126 Ų | 126 | 75.6 Ų | 75.6 | 48% | 0.475 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 141 | 164.8 | -61.5 | -170.2 | 176.1 | 162.4 | 3.9 | 110.3 | V229 T230 L233 T252 | V229-R250 HydrophobicContact CG1-CG 3.78Å; T230-R250 VanDerWaalsContact CG2-NH2 3.27Å; L233-R250 HydrophobicContact CD1-CG 3.97Å; L233-R250 HydrophobicContact CD2-CG 4.1Å; L233-R250 HydrophobicContact CG-CG 4.42Å; R250-T252 VanDerWaalsContact C-N 3.33Å; R250-T252 HydrophobicContact CB-CG2 4.21Å; R250-T252 PolarHBondContact O-N 2.72Å |
| 251 | V | 87.7 | Confident | 83.9 | Confident | 32 Ų | 32 | 76.6 Ų | 76.6 | 19% | 0.194 | 38% | 0.376 | C | S | . | . | trans | -74.1 | 92 | 170.9 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | M156 T159 F161 Y220 | M156-V251 HydrophobicContact CE-CG1 3.99Å; T159-V251 WeakPolarHBondContact O-CG2 3.45Å; T159-V251 PolarHBondContact O-N 2.9Å; T159-V251 WeakPolarHBondContact OG1-CB 3.37Å; T159-V251 VanDerWaalsContact OG1-CG2 3.24Å; T159-V251 WeakPolarHBondContact OG1-CG2 3.41Å; F161-V251 HydrophobicContact CB-CG2 4.07Å; Y220-V251 HydrophobicContact CD1-CG2 3.56Å; Y220-V251 HydrophobicContact CE1-CG1 4.32Å; Y220-V251 HydrophobicContact CE1-CG2 3.54Å | ||
| 252 | T | 80.5 | Confident | 84.3 | Confident | 78 Ų | 78 | 72.9 Ų | 72.9 | 48% | 0.479 | 36% | 0.36 | S | S | . | . | trans | -103.1 | 166.7 | 172.4 | 57.5 | 0 | 0 | 0 | 0 | 110.6 | R250 | R250-T252 VanDerWaalsContact C-N 3.33Å; R250-T252 HydrophobicContact CB-CG2 4.21Å; R250-T252 PolarHBondContact O-N 2.72Å | ||
| 253 | D | 69.4 | Low | 84.7 | Confident | 119 Ų | 119 | 63.4 Ų | 63.4 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | trans | -58.8 | 144.5 | 170.7 | -75.1 | -43.8 | 0 | 0 | 0 | 110.6 | S255 S256 | D253-S255 PolarHBondContact O-N 2.93Å; D253-S256 PolarHBondContact O-N 3.5Å | ||
| 254 | K | 64.1 | Low | 85.3 | Confident | 186 Ų | 186 | 64.4 Ų | 64.4 | 81% | 0.809 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -7.2 | -173.5 | -65.2 | 179 | -73.5 | -73.9 | 0 | 115.1 | H257 | K254-H257 PolarHBondContact O-CE1 3.18Å; K254-H257 PolarHBondContact O-ND1 3.1Å; K254-H257 VanDerWaalsContact O-ND1 3.11Å |
| 255 | S | 62.8 | Low | 85.5 | Confident | 94 Ų | 94 | 62.8 Ų | 62.8 | 66% | 0.657 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -20.8 | 179.1 | 52.5 | 0 | 0 | 0 | 0 | 114.2 | D253 H257 | D253-S255 PolarHBondContact O-N 2.93Å; S255-H257 PolarHBondContact O-N 3.37Å; S255-H257 VanDerWaalsContact O-N 3.1Å |
| 256 | S | 71.2 | Confident | 85.7 | Confident | 77 Ų | 77 | 61.9 Ų | 61.9 | 54% | 0.538 | 31% | 0.309 | S | S | . | . | trans | -90 | 67 | -174.4 | -168.5 | 0 | 0 | 0 | 0 | 112.1 | D253 | D253-S256 PolarHBondContact O-N 3.5Š| ||
| 257 | H | 77.9 | Confident | 85.8 | Confident | 76 Ų | 76 | 66 Ų | 66 | 35% | 0.352 | 33% | 0.331 | S | S | . | . | trans | -104.4 | 136.6 | 169.6 | -65.8 | 80.8 | 0 | 0 | 0 | 110 | K254 S255 H259 | K254-H257 PolarHBondContact O-CE1 3.18Å; K254-H257 PolarHBondContact O-ND1 3.1Å; K254-H257 VanDerWaalsContact O-ND1 3.11Å; S255-H257 PolarHBondContact O-N 3.37Å; S255-H257 VanDerWaalsContact O-N 3.1Å; H257-H259 VanDerWaalsContact C-N 3.27Å; H257-H259 PolarHBondContact O-CD2 2.9Å; H257-H259 PolarHBondContact O-N 2.98Å | ||
| 258 | D | 85.1 | Confident | 85.9 | Confident | 77 Ų | 77 | 64.5 Ų | 64.5 | 41% | 0.412 | 33% | 0.325 | S | S | . | . | trans | -75 | 77.8 | 178.4 | -76.9 | -10.3 | 0 | 0 | 0 | 111.6 | K260 R261 S262 L308 | D258-K260 PolarHBondContact O-N 3.42Å; D258-R261 PolarHBondContact O-N 2.93Å; D258-R261 IonicContact OD2-CZ 2.76Å; D258-R261 IonicContact OD2-NE 3.29Å; D258-R261 IonicContact OD2-NH2 3.99Å; D258-R261 PolarHBondContact OD2-NH2 3.14Å; D258-S262 VanDerWaalsContact O-CB 3.23Å; D258-S262 WeakPolarHBondContact O-CB 3.47Å; D258-S262 PolarHBondContact O-N 2.78Å; D258-S262 PolarHBondContact O-OG 2.87Å; D258-L308 HydrophobicContact CB-CD1 4.07Å | ||
| 259 | H | 86.1 | Confident | 85.9 | Confident | 47 Ų | 47 | 65.3 Ų | 65.3 | 22% | 0.218 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -23.7 | -179.5 | -64.9 | -73.6 | 0 | 0 | 0 | 113.6 | H257 S336 T338 | H257-H259 VanDerWaalsContact C-N 3.27Å; H257-H259 PolarHBondContact O-CD2 2.9Å; H257-H259 PolarHBondContact O-N 2.98Å; H259-S336 PolarHBondContact ND1-OG 2.98Å; H259-T338 WeakPolarHBondContact CD2-CG2 3.34Å |
| 260 | K | 89.9 | Confident | 85.8 | Confident | 190 Ų | 190 | 68.1 Ų | 68.1 | 83% | 0.826 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -39 | -179.3 | -64.6 | -177.1 | -178.6 | -179.8 | 0 | 112.5 | D258 | D258-K260 PolarHBondContact O-N 3.42Š|
| 261 | R | 92.4 | Very high | 85.7 | Confident | 74 Ų | 74 | 67.3 Ų | 67.3 | 28% | 0.279 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -97.7 | 2.9 | 179.2 | -61.5 | -173.2 | -68.5 | 151.6 | 4.6 | 112.8 | D258 E288 L308 F309 E310 | D258-R261 PolarHBondContact O-N 2.93Å; D258-R261 IonicContact OD2-CZ 2.76Å; D258-R261 IonicContact OD2-NE 3.29Å; D258-R261 IonicContact OD2-NH2 3.99Å; D258-R261 PolarHBondContact OD2-NH2 3.14Å; R261-E288 IonicContact NH1-OE2 2.75Å; R261-E288 IonicContact NH2-OE2 3.68Å; R261-L308 HydrophobicContact CB-CD1 3.89Å; R261-F309 PolarHBondContact O-N 2.67Å; R261-E310 WeakPolarHBondContact CD-O 3.4Å; R261-E310 PolarHBondContact NH1-O 2.95Å |
| 262 | S | 93.3 | Very high | 85.8 | Confident | 12 Ų | 12 | 66.1 Ų | 66.1 | 8% | 0.084 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 144.4 | -178.8 | -64.8 | 0 | 0 | 0 | 0 | 112 | D258 V307 L308 S336 | D258-S262 VanDerWaalsContact O-CB 3.23Å; D258-S262 WeakPolarHBondContact O-CB 3.47Å; D258-S262 PolarHBondContact O-N 2.78Å; D258-S262 PolarHBondContact O-OG 2.87Å; S262-V307 CarbonylContact C-O 3.51Å; S262-V307 VanDerWaalsContact CA-O 3.23Å; S262-V307 WeakPolarHBondContact CA-O 3.48Å; S262-L308 WeakPolarHBondContact OG-CD1 3.3Å; S262-S336 WeakPolarHBondContact O-CB 3.16Å; S262-S336 PolarHBondContact O-N 3.01Å; S262-S336 VanDerWaalsContact O-N 3.16Å |
| 263 | V | 95 | Very high | 86.2 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 138.8 | 174.9 | 176.9 | 0 | 0 | 0 | 0 | 109.4 | V265 Y306 V307 F309 V315 A318 V333 K334 | V263-V265 HydrophobicContact CG1-CG2 4.33Å; V263-Y306 CarbonylContact O-C 3.49Å; V263-Y306 VanDerWaalsContact O-CA 3.23Å; V263-Y306 WeakPolarHBondContact O-CA 3.26Å; V263-V307 PolarHBondContact N-O 3.44Å; V263-V307 PolarHBondContact O-N 3.21Å; V263-F309 HydrophobicContact CB-CE2 4.13Å; V263-F309 HydrophobicContact CG2-CD2 4.09Å; V263-F309 HydrophobicContact CG2-CE2 3.71Å; V263-V315 HydrophobicContact CG2-CB 3.94Å; V263-V315 HydrophobicContact CG2-CG1 3.44Å; V263-V315 VanDerWaalsContact CG2-CG1 3.44Å; V263-V315 HydrophobicContact CG2-CG2 4.02Å; V263-A318 HydrophobicContact CG2-CB 4.13Å; V263-V333 HydrophobicContact CG1-CG1 3.14Å; V263-K334 WeakPolarHBondContact CG1-O 3.31Å |
| 264 | F | 95.5 | Very high | 87.2 | Confident | 37 Ų | 37 | 63.4 Ų | 63.4 | 16% | 0.162 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 129.6 | 169 | 169.7 | -90.4 | 0 | 0 | 0 | 109.2 | F304 Y306 V333 K334 | F264-F304 HydrophobicContact CD2-CD2 4.46Å; F264-F304 HydrophobicContact CE2-CB 3.79Å; F264-F304 AromaticContact CE2-CD2 3.69Å; F264-F304 HydrophobicContact CE2-CD2 3.69Å; F264-F304 AromaticContact CE2-CG 3.97Å; F264-F304 HydrophobicContact CE2-CG 3.97Å; F264-F304 HydrophobicContact CZ-CB 3.86Å; F264-F304 HydrophobicContact CZ-CG 4.37Å; F264-Y306 HydrophobicContact CB-CD1 4.48Å; F264-Y306 HydrophobicContact CB-CE1 4.3Å; F264-Y306 HydrophobicContact CD2-CE1 4Å; F264-Y306 AromaticContact CD2-CZ 3.97Å; F264-V333 WeakPolarHBondContact O-CA 3.47Å; F264-K334 HydrophobicContact CB-CB 4.4Å; F264-K334 HydrophobicContact CD1-CB 4.13Å; F264-K334 PolarHBondContact N-O 3.04Å; F264-K334 PolarHBondContact O-N 3.33Å |
| 265 | V | 95.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 121.4 | 175.3 | -168 | 0 | 0 | 0 | 0 | 108.5 | V263 L268 L277 F281 F304 G305 V307 I331 R332 | V263-V265 HydrophobicContact CG1-CG2 4.33Å; V265-L268 HydrophobicContact CB-CD1 4.36Å; V265-L268 HydrophobicContact CG1-CD1 4.19Å; V265-L268 HydrophobicContact CG1-CD2 3.72Å; V265-L268 HydrophobicContact CG1-CG 4.12Å; V265-L277 HydrophobicContact CG1-CD2 4.27Å; V265-F281 HydrophobicContact CG1-CE2 4.15Å; V265-F281 HydrophobicContact CG1-CZ 4.14Å; V265-F281 HydrophobicContact CG2-CE2 3.7Å; V265-F281 HydrophobicContact CG2-CZ 3.65Å; V265-F304 CarbonylContact O-C 3.55Å; V265-F304 WeakPolarHBondContact O-CA 3.23Å; V265-F304 WeakPolarHBondContact O-CB 3.39Å; V265-G305 PolarHBondContact N-O 3.31Å; V265-G305 PolarHBondContact O-N 3.23Å; V265-V307 HydrophobicContact CG2-CG2 3.92Å; V265-I331 HydrophobicContact CG1-CB 4.19Å; V265-I331 HydrophobicContact CG1-CD1 4.31Å; V265-R332 CarbonylContact C-O 3.59Å; V265-R332 WeakPolarHBondContact CA-O 3.41Å |
| 266 | G | 94.9 | Very high | 89.9 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 176.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L268 R332 | G266-L268 PolarHBondContact O-N 3.16Å; G266-R332 PolarHBondContact N-O 2.91Å; G266-R332 PolarHBondContact O-N 2.83Å |
| 267 | N | 94.9 | Very high | 91 | Very high | 88 Ų | 88 | 49.6 Ų | 49.6 | 47% | 0.471 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 59.1 | 32.5 | -175.3 | -159.9 | 42.2 | 0 | 0 | 0 | 113.8 | G303 S330 | N267-G303 PolarHBondContact N-O 3.42Å; N267-G303 VanDerWaalsContact N-O 3.08Å; N267-S330 PolarHBondContact ND2-O 2.88Å |
| 268 | L | 93.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | trans | -78.1 | 155.1 | 177.2 | -61.1 | 175 | 0 | 0 | 0 | 111.1 | V265 G266 I272 L277 L292 G303 L326 R329 I331 | V265-L268 HydrophobicContact CB-CD1 4.36Å; V265-L268 HydrophobicContact CG1-CD1 4.19Å; V265-L268 HydrophobicContact CG1-CD2 3.72Å; V265-L268 HydrophobicContact CG1-CG 4.12Å; G266-L268 PolarHBondContact O-N 3.16Å; L268-I272 HydrophobicContact CB-CG2 4.1Å; L268-I272 HydrophobicContact CD1-CG2 4.46Å; L268-L277 HydrophobicContact CD1-CD1 3.92Å; L268-L277 HydrophobicContact CD1-CD2 4.14Å; L268-L277 HydrophobicContact CD2-CD2 3.8Å; L268-L292 HydrophobicContact CD1-CD2 4.04Å; L268-G303 PolarHBondContact N-O 3.3Å; L268-G303 WeakPolarHBondContact O-CA 3.48Å; L268-L326 HydrophobicContact CD2-CD2 3.95Å; L268-R329 PolarHBondContact O-NH1 3.44Å; L268-I331 HydrophobicContact CD2-CB 4.48Å; L268-I331 HydrophobicContact CD2-CG2 3.8Å | ||
| 269 | A | 91.8 | Very high | 92 | Very high | 18 Ų | 18 | 49.8 Ų | 49.8 | 15% | 0.149 | 24% | 0.237 | C | C | . | . | trans | -58.8 | 145.7 | 166 | 0 | 0 | 0 | 0 | 0 | 110.3 | D271 I272 | A269-D271 PolarHBondContact O-N 3.45Å; A269-I272 HydrophobicContact CB-CB 4.25Å; A269-I272 WeakPolarHBondContact O-CB 3.2Å; A269-I272 WeakPolarHBondContact O-CG2 3.36Å; A269-I272 PolarHBondContact O-N 3.27Å | ||
| 270 | F | 89.8 | Confident | 92.4 | Very high | 93 Ų | 93 | 49.2 Ų | 49.2 | 41% | 0.408 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -25.3 | -179.9 | -61.9 | -53.4 | 0 | 0 | 0 | 112.6 | L300 G301 | F270-L300 HydrophobicContact CB-CD1 4.09Å; F270-L300 HydrophobicContact CB-CG 4.23Å; F270-G301 WeakPolarHBondContact CD1-O 3.35Å; F270-G301 WeakPolarHBondContact O-CA 3.37Å; F270-G301 PolarHBondContact O-N 3.4Å |
| 271 | D | 87.5 | Confident | 92.6 | Very high | 109 Ų | 109 | 40.1 Ų | 40.1 | 58% | 0.583 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 5.5 | -179.9 | -59.6 | -40.6 | 0 | 0 | 0 | 113.1 | A269 K273 | A269-D271 PolarHBondContact O-N 3.45Å; D271-K273 PolarHBondContact O-N 3.43Å |
| 272 | I | 89.9 | Confident | 92.5 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | trans | -52.4 | 135.4 | 179.4 | -168.6 | 63.1 | 0 | 0 | 0 | 110.9 | L268 A269 A276 L277 L292 R294 L326 E327 | L268-I272 HydrophobicContact CB-CG2 4.1Å; L268-I272 HydrophobicContact CD1-CG2 4.46Å; A269-I272 HydrophobicContact CB-CB 4.25Å; A269-I272 WeakPolarHBondContact O-CB 3.2Å; A269-I272 WeakPolarHBondContact O-CG2 3.36Å; A269-I272 PolarHBondContact O-N 3.27Å; I272-A276 HydrophobicContact CD1-CB 3.81Å; I272-L277 HydrophobicContact CG1-CD1 4.48Å; I272-L277 HydrophobicContact CG1-CG 4.19Å; I272-L292 HydrophobicContact CG2-CD1 4.07Å; I272-L292 HydrophobicContact CG2-CD2 3.82Å; I272-L292 WeakPolarHBondContact O-CD1 3.36Å; I272-R294 PolarHBondContact O-NH2 3.31Å; I272-L326 HydrophobicContact CD1-CD2 3.89Å; I272-L326 HydrophobicContact CD1-CG 4.16Å; I272-L326 HydrophobicContact CG1-CD2 4.41Å; I272-E327 HydrophobicContact CD1-CG 3.91Å; I272-E327 WeakPolarHBondContact CD1-OE1 3.46Å; I272-E327 WeakPolarHBondContact CD1-OE2 3.11Å | ||
| 273 | K | 89.9 | Confident | 92.4 | Very high | 111 Ų | 111 | 48.5 Ų | 48.5 | 48% | 0.483 | 24% | 0.236 | S | C | . | . | trans | -90.6 | 152.1 | 174.5 | -65.5 | -175 | -175.1 | -178.6 | 0 | 111 | Q215 D271 L275 A276 | Q215-K273 VanDerWaalsContact OE1-CE 3.26Å; D271-K273 PolarHBondContact O-N 3.43Å; K273-L275 VanDerWaalsContact C-N 3.25Å; K273-L275 PolarHBondContact O-N 2.97Å; K273-A276 PolarHBondContact O-N 3.35Å | ||
| 274 | E | 90.8 | Very high | 92.3 | Very high | 30 Ų | 30 | 48.9 Ų | 48.9 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.5 | -37.1 | 177.7 | -167.4 | 166.4 | 154.1 | 0 | 0 | 112 | N164 A276 L277 R278 V290 L292 | N164-E274 PolarHBondContact OD1-OE2 2.99Å; E274-A276 PolarHBondContact O-N 2.88Å; E274-L277 PolarHBondContact O-N 3.26Å; E274-R278 PolarHBondContact O-N 2.94Å; E274-V290 HydrophobicContact CG-CB 3.48Å; E274-V290 VanDerWaalsContact CG-CB 3.48Å; E274-V290 HydrophobicContact CG-CG1 3.67Å; E274-V290 HydrophobicContact CG-CG2 4.34Å; E274-V290 WeakPolarHBondContact OE1-CB 3.3Å; E274-L292 HydrophobicContact CB-CD1 4.35Å |
| 275 | L | 91.4 | Very high | 92.1 | Very high | 48 Ų | 48 | 48.1 Ų | 48.1 | 25% | 0.251 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.4 | -46.5 | 176.8 | -175.7 | 66.4 | 0 | 0 | 0 | 113 | K273 L277 R278 Q279 | K273-L275 VanDerWaalsContact C-N 3.25Å; K273-L275 PolarHBondContact O-N 2.97Å; L275-L277 VanDerWaalsContact C-N 3.28Å; L275-L277 PolarHBondContact O-N 3.12Å; L275-R278 WeakPolarHBondContact O-CB 3.37Å; L275-R278 PolarHBondContact O-N 3.12Å; L275-R278 VanDerWaalsContact O-N 3.1Å; L275-Q279 HydrophobicContact CD1-CG 4.36Å; L275-Q279 HydrophobicContact CG-CG 4.42Å; L275-Q279 WeakPolarHBondContact O-CG 3.18Å; L275-Q279 PolarHBondContact O-N 2.89Å |
| 276 | A | 92 | Very high | 92.1 | Very high | 18 Ų | 18 | 54.4 Ų | 54.4 | 15% | 0.149 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62 | -39 | -178 | 0 | 0 | 0 | 0 | 0 | 111.4 | I272 K273 E274 H280 | I272-A276 HydrophobicContact CD1-CB 3.81Å; K273-A276 PolarHBondContact O-N 3.35Å; E274-A276 PolarHBondContact O-N 2.88Å; A276-H280 WeakPolarHBondContact O-CB 3.35Å; A276-H280 PolarHBondContact O-N 2.95Å; A276-H280 VanDerWaalsContact O-N 3.11Å |
| 277 | L | 92.8 | Very high | 92 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 172.4 | -79.2 | 170.4 | 0 | 0 | 0 | 112.2 | V265 L268 I272 E274 L275 Q279 H280 F281 V290 L292 L326 | V265-L277 HydrophobicContact CG1-CD2 4.27Å; L268-L277 HydrophobicContact CD1-CD1 3.92Å; L268-L277 HydrophobicContact CD1-CD2 4.14Å; L268-L277 HydrophobicContact CD2-CD2 3.8Å; I272-L277 HydrophobicContact CG1-CD1 4.48Å; I272-L277 HydrophobicContact CG1-CG 4.19Å; E274-L277 PolarHBondContact O-N 3.26Å; L275-L277 VanDerWaalsContact C-N 3.28Å; L275-L277 PolarHBondContact O-N 3.12Å; L277-Q279 VanDerWaalsContact C-N 3.35Å; L277-Q279 PolarHBondContact O-N 2.73Å; L277-H280 PolarHBondContact O-N 3.26Å; L277-F281 HydrophobicContact CD2-CD2 4.37Å; L277-F281 HydrophobicContact CD2-CE2 3.93Å; L277-F281 VanDerWaalsContact O-CD2 3.27Å; L277-F281 WeakPolarHBondContact O-CD2 3.4Å; L277-F281 PolarHBondContact O-N 2.82Å; L277-F281 VanDerWaalsContact O-N 3.11Å; L277-V290 HydrophobicContact CB-CG1 4.16Å; L277-V290 HydrophobicContact CD1-CG1 3.93Å; L277-L292 HydrophobicContact CD1-CD1 4.48Å; L277-L292 HydrophobicContact CD1-CD2 3.36Å; L277-L292 HydrophobicContact CD1-CG 4.07Å; L277-L326 HydrophobicContact CD2-CD2 3.67Å; L277-L326 HydrophobicContact CG-CD2 4.3Å |
| 278 | R | 92.9 | Very high | 91.8 | Very high | 47 Ų | 47 | 53.2 Ų | 53.2 | 18% | 0.177 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.2 | -49.6 | 179.9 | -173 | 173.4 | -173.1 | -87 | -7.1 | 110.6 | H245 E274 L275 F281 E282 V287 V290 | H245-R278 PolarHBondContact CD2-NH1 2.77Å; H245-R278 PolarHBondContact NE2-NH1 3.25Å; H245-R278 VanDerWaalsContact NE2-NH1 3.12Å; E274-R278 PolarHBondContact O-N 2.94Å; L275-R278 WeakPolarHBondContact O-CB 3.37Å; L275-R278 PolarHBondContact O-N 3.12Å; L275-R278 VanDerWaalsContact O-N 3.1Å; R278-F281 PolarHBondContact O-N 3.11Å; R278-E282 IonicContact NH1-OE1 2.63Å; R278-E282 WeakPolarHBondContact O-CB 3.1Å; R278-E282 PolarHBondContact O-N 3.23Å; R278-V287 HydrophobicContact CG-CB 4.21Å; R278-V287 HydrophobicContact CG-CG1 4.28Å; R278-V290 HydrophobicContact CB-CG2 4.36Å |
| 279 | Q | 92.7 | Very high | 91.6 | Very high | 109 Ų | 109 | 53.4 Ų | 53.4 | 51% | 0.509 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 178.7 | -71.8 | 174.2 | -19.5 | 0 | 0 | 112.1 | L275 L277 F281 E282 | L275-Q279 HydrophobicContact CD1-CG 4.36Å; L275-Q279 HydrophobicContact CG-CG 4.42Å; L275-Q279 WeakPolarHBondContact O-CG 3.18Å; L275-Q279 PolarHBondContact O-N 2.89Å; L277-Q279 VanDerWaalsContact C-N 3.35Å; L277-Q279 PolarHBondContact O-N 2.73Å; Q279-F281 VanDerWaalsContact C-N 3.28Å; Q279-F281 PolarHBondContact O-N 3.44Å; Q279-E282 WeakPolarHBondContact O-CB 3.39Å; Q279-E282 PolarHBondContact O-N 3.31Å |
| 280 | H | 93 | Very high | 91.7 | Very high | 35 Ų | 35 | 52.8 Ų | 52.8 | 16% | 0.162 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.5 | -36.5 | 179.3 | -172.7 | 81.5 | 0 | 0 | 0 | 113.2 | A276 L277 S324 L326 | A276-H280 WeakPolarHBondContact O-CB 3.35Å; A276-H280 PolarHBondContact O-N 2.95Å; A276-H280 VanDerWaalsContact O-N 3.11Å; L277-H280 PolarHBondContact O-N 3.26Å; H280-S324 PolarHBondContact CE1-OG 2.85Å; H280-S324 VanDerWaalsContact CE1-OG 3.25Å; H280-S324 PolarHBondContact NE2-OG 2.89Å; H280-L326 HydrophobicContact CB-CD1 3.94Å |
| 281 | F | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -94.5 | -5.3 | -178.8 | -75.2 | -70.8 | 0 | 0 | 0 | 113.9 | V265 L277 R278 Q279 E283 C284 V287 V307 F309 A318 L321 I331 V333 | V265-F281 HydrophobicContact CG1-CE2 4.15Å; V265-F281 HydrophobicContact CG1-CZ 4.14Å; V265-F281 HydrophobicContact CG2-CE2 3.7Å; V265-F281 HydrophobicContact CG2-CZ 3.65Å; L277-F281 HydrophobicContact CD2-CD2 4.37Å; L277-F281 HydrophobicContact CD2-CE2 3.93Å; L277-F281 VanDerWaalsContact O-CD2 3.27Å; L277-F281 WeakPolarHBondContact O-CD2 3.4Å; L277-F281 PolarHBondContact O-N 2.82Å; L277-F281 VanDerWaalsContact O-N 3.11Å; R278-F281 PolarHBondContact O-N 3.11Å; Q279-F281 VanDerWaalsContact C-N 3.28Å; Q279-F281 PolarHBondContact O-N 3.44Å; F281-E283 PolarHBondContact O-N 3.29Å; F281-C284 PolarHBondContact O-N 3.47Å; F281-C284 VanDerWaalsContact O-N 3.12Å; F281-V287 HydrophobicContact CB-CG2 4.02Å; F281-V307 HydrophobicContact CB-CG1 4.42Å; F281-V307 HydrophobicContact CD2-CG2 3.94Å; F281-V307 HydrophobicContact CE2-CG2 4.21Å; F281-F309 HydrophobicContact CB-CE1 4.08Å; F281-F309 HydrophobicContact CB-CZ 3.87Å; F281-F309 AromaticContact CD1-CZ 3.98Å; F281-F309 HydrophobicContact CD1-CZ 3.98Å; F281-F309 HydrophobicContact CG-CZ 4.15Å; F281-A318 HydrophobicContact CD1-CB 3.98Å; F281-A318 HydrophobicContact CE1-CB 4.05Å; F281-L321 HydrophobicContact CD1-CD1 4.36Å; F281-L321 HydrophobicContact CE1-CD1 4.43Å; F281-I331 HydrophobicContact CE2-CD1 4.24Å; F281-I331 HydrophobicContact CZ-CD1 3.72Å; F281-V333 HydrophobicContact CE1-CG1 4.4Å; F281-V333 HydrophobicContact CE1-CG2 4.23Å; F281-V333 HydrophobicContact CZ-CG2 3.96Å |
| 282 | E | 91.9 | Very high | 92 | Very high | 98 Ų | 98 | 48.6 Ų | 48.6 | 46% | 0.458 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.8 | -30.4 | 177.5 | -164.8 | 157.1 | -150.1 | 0 | 0 | 111.3 | R278 Q279 C284 G285 | R278-E282 IonicContact NH1-OE1 2.63Å; R278-E282 WeakPolarHBondContact O-CB 3.1Å; R278-E282 PolarHBondContact O-N 3.23Å; Q279-E282 WeakPolarHBondContact O-CB 3.39Å; Q279-E282 PolarHBondContact O-N 3.31Å; E282-C284 PolarHBondContact O-N 3.47Å; E282-G285 PolarHBondContact O-N 3.27Å; E282-G285 VanDerWaalsContact O-N 3.09Å |
| 283 | E | 91.3 | Very high | 92 | Very high | 164 Ų | 164 | 49.5 Ų | 49.5 | 77% | 0.766 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -29.4 | 173.6 | -62.9 | -179.9 | -175.8 | 0 | 0 | 113 | F281 | F281-E283 PolarHBondContact O-N 3.29Š|
| 284 | C | 91.9 | Very high | 91.9 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 5% | 0.054 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -12.7 | 176.6 | -62.2 | 0 | 0 | 0 | 0 | 113.3 | F281 E282 F309 S314 M317 A318 L321 | F281-C284 PolarHBondContact O-N 3.47Å; F281-C284 VanDerWaalsContact O-N 3.12Å; E282-C284 PolarHBondContact O-N 3.47Å; C284-F309 HydrophobicContact CB-CE1 4.44Å; C284-S314 WeakPolarHBondContact O-CB 3.49Å; C284-S314 PolarHBondContact O-OG 3.31Å; C284-M317 HydrophobicContact CB-CB 3.91Å; C284-M317 WeakPolarHBondContact O-CE 3.45Å; C284-A318 HydrophobicContact CB-CB 4.39Å; C284-L321 WeakPolarHBondContact SG-CD1 3.12Å |
| 285 | G | 92.5 | Very high | 91.7 | Very high | 21 Ų | 21 | 47.8 Ų | 47.8 | 22% | 0.216 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 138.6 | 179.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E282 V287 | E282-G285 PolarHBondContact O-N 3.27Å; E282-G285 VanDerWaalsContact O-N 3.09Å; G285-V287 PolarHBondContact O-N 3.33Å; G285-V287 VanDerWaalsContact O-N 3.15Å |
| 286 | K | 93.6 | Very high | 91.1 | Very high | 131 Ų | 131 | 50.1 Ų | 50.1 | 57% | 0.57 | 25% | 0.248 | S | C | * | . | trans | -68.9 | 114.6 | -172.4 | -173.5 | 155.8 | 157.1 | -119.8 | 0 | 111.5 | E310 | K286-E310 HydrophobicContact CB-CB 4.46Å; K286-E310 WeakPolarHBondContact CD-OE2 3.31Å; K286-E310 VanDerWaalsContact CE-OE2 3.27Å; K286-E310 WeakPolarHBondContact CE-OE2 3.23Å; K286-E310 VanDerWaalsContact CG-OE2 3.31Å; K286-E310 WeakPolarHBondContact CG-OE2 3.47Å; K286-E310 IonicContact NZ-OE1 2.68Å; K286-E310 PolarHBondContact NZ-OE1 3.04Å; K286-E310 IonicContact NZ-OE2 3.07Å; K286-E310 PolarHBondContact NZ-OE2 2.77Å; K286-E310 PolarHBondContact O-N 2.97Å; K286-E310 VanDerWaalsContact O-N 3.07Å | ||
| 287 | V | 93.9 | Very high | 90.5 | Very high | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 118.9 | 177.1 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | R278 F281 G285 V290 V307 F309 | R278-V287 HydrophobicContact CG-CB 4.21Å; R278-V287 HydrophobicContact CG-CG1 4.28Å; F281-V287 HydrophobicContact CB-CG2 4.02Å; G285-V287 PolarHBondContact O-N 3.33Å; G285-V287 VanDerWaalsContact O-N 3.15Å; V287-V290 HydrophobicContact CG1-CG2 3.65Å; V287-V307 HydrophobicContact CG1-CG1 3.75Å; V287-V307 HydrophobicContact CG2-CG1 4.16Å; V287-F309 HydrophobicContact CG2-CD1 4.05Å; V287-F309 HydrophobicContact CG2-CE1 3.7Å |
| 288 | E | 91.4 | Very high | 89.8 | Confident | 63 Ų | 63 | 57.7 Ų | 57.7 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | -47.5 | 178.7 | -178.2 | 177.7 | 179.4 | 0 | 0 | 111 | N236 R261 L308 | N236-E288 VanDerWaalsContact ND2-CG 3.3Å; N236-E288 WeakPolarHBondContact ND2-CG 3.18Å; N236-E288 PolarHBondContact ND2-OE1 3.47Å; R261-E288 IonicContact NH1-OE2 2.75Å; R261-E288 IonicContact NH2-OE2 3.68Å; E288-L308 HydrophobicContact CB-CD2 4.3Å; E288-L308 HydrophobicContact CB-CG 4.18Å; E288-L308 HydrophobicContact CG-CD2 4.15Å; E288-L308 PolarHBondContact N-O 3.43Å |
| 289 | A | 89.7 | Confident | 89.1 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 147.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | R247 L308 | R247-A289 HydrophobicContact CG-CB 3.97Å; A289-L308 HydrophobicContact CB-CB 4.31Å; A289-L308 HydrophobicContact CB-CD2 4.36Å; A289-L308 PolarHBondContact N-O 2.79Å; A289-L308 WeakPolarHBondContact O-CB 3.36Å; A289-L308 PolarHBondContact O-N 3.03Å |
| 290 | V | 92.9 | Very high | 88.7 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 150 | 171.4 | -179.3 | 0 | 0 | 0 | 0 | 109 | E274 L277 R278 V287 Y306 V307 | E274-V290 HydrophobicContact CG-CB 3.48Å; E274-V290 VanDerWaalsContact CG-CB 3.48Å; E274-V290 HydrophobicContact CG-CG1 3.67Å; E274-V290 HydrophobicContact CG-CG2 4.34Å; E274-V290 WeakPolarHBondContact OE1-CB 3.3Å; L277-V290 HydrophobicContact CB-CG1 4.16Å; L277-V290 HydrophobicContact CD1-CG1 3.93Å; R278-V290 HydrophobicContact CB-CG2 4.36Å; V287-V290 HydrophobicContact CG1-CG2 3.65Å; V290-Y306 CarbonylContact C-O 3.5Å; V290-V307 HydrophobicContact CG1-CG2 4.37Å; V290-V307 HydrophobicContact CG2-CG1 4.34Å; V290-V307 HydrophobicContact CG2-CG2 4.34Å |
| 291 | R | 91.2 | Very high | 88.4 | Confident | 85 Ų | 85 | 52.1 Ų | 52.1 | 32% | 0.321 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 100.9 | 179.3 | -165 | 176.5 | 68.9 | 85.6 | -3.2 | 110.7 | G305 Y306 | R291-G305 CarbonylContact O-C 3.55Å; R291-G305 WeakPolarHBondContact O-CA 3.44Å; R291-Y306 PolarHBondContact N-O 2.63Å; R291-Y306 PolarHBondContact O-N 2.91Å |
| 292 | L | 91.8 | Very high | 88.2 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 125.6 | 171.4 | -72.1 | 174.6 | 0 | 0 | 0 | 110.7 | L268 I272 E274 L277 R294 | L268-L292 HydrophobicContact CD1-CD2 4.04Å; I272-L292 HydrophobicContact CG2-CD1 4.07Å; I272-L292 HydrophobicContact CG2-CD2 3.82Å; I272-L292 WeakPolarHBondContact O-CD1 3.36Å; E274-L292 HydrophobicContact CB-CD1 4.35Å; L277-L292 HydrophobicContact CD1-CD1 4.48Å; L277-L292 HydrophobicContact CD1-CD2 3.36Å; L277-L292 HydrophobicContact CD1-CG 4.07Å; L292-R294 PolarHBondContact O-N 3.39Å |
| 293 | V | 90.4 | Very high | 88.2 | Confident | 24 Ų | 24 | 53 Ų | 53 | 15% | 0.145 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 115.8 | 176 | -172.9 | 0 | 0 | 0 | 0 | 108.9 | K302 F304 Y306 | V293-K302 HydrophobicContact CG1-CD 3.97Å; V293-K302 HydrophobicContact CG1-CG 4.43Å; V293-K302 WeakPolarHBondContact O-CB 3.33Å; V293-K302 PolarHBondContact O-N 2.95Å; V293-F304 HydrophobicContact CB-CD2 4.07Å; V293-F304 HydrophobicContact CB-CE1 4.44Å; V293-F304 HydrophobicContact CB-CE2 3.61Å; V293-F304 HydrophobicContact CB-CZ 3.82Å; V293-F304 HydrophobicContact CG1-CE1 4.47Å; V293-F304 HydrophobicContact CG1-CE2 3.96Å; V293-F304 HydrophobicContact CG1-CZ 3.74Å; V293-F304 HydrophobicContact CG2-CD2 3.88Å; V293-F304 HydrophobicContact CG2-CE2 3.44Å; V293-F304 VanDerWaalsContact CG2-CE2 3.44Å; V293-F304 HydrophobicContact CG2-CZ 4.12Å; V293-F304 PolarHBondContact N-O 2.71Å; V293-F304 VanDerWaalsContact N-O 3.11Å; V293-Y306 HydrophobicContact CG2-CD2 4.15Å; V293-Y306 HydrophobicContact CG2-CE2 3.93Å |
| 294 | R | 88 | Confident | 88.4 | Confident | 55 Ų | 55 | 48 Ų | 48 | 21% | 0.208 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 155.3 | 179 | -58.5 | -175.1 | 170.2 | -132.2 | -0.2 | 110.4 | K213 I272 L292 G299 L300 | K213-R294 PolarHBondContact O-NH1 3.37Å; I272-R294 PolarHBondContact O-NH2 3.31Å; L292-R294 PolarHBondContact O-N 3.39Å; R294-G299 PolarHBondContact NH1-O 2.69Å; R294-L300 CarbonylContact C-O 3.52Å; R294-L300 VanDerWaalsContact CA-O 3.27Å; R294-L300 WeakPolarHBondContact CA-O 3.48Å; R294-L300 WeakPolarHBondContact CB-O 3.39Å |
| 295 | D | 86.1 | Confident | 88.5 | Confident | 50 Ų | 50 | 47.6 Ų | 47.6 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | trans | -71.5 | 127.2 | 170.8 | 178.2 | 40.4 | 0 | 0 | 0 | 109.9 | N297 S298 G299 L300 | D295-N297 PolarHBondContact O-N 3.45Å; D295-S298 WeakPolarHBondContact CB-OG 2.83Å; D295-S298 WeakPolarHBondContact OD2-CB 3.38Å; D295-S298 PolarHBondContact OD2-N 3.38Å; D295-S298 VanDerWaalsContact OD2-N 3.09Å; D295-S298 PolarHBondContact OD2-OG 2.69Å; D295-G299 WeakPolarHBondContact O-CA 3.17Å; D295-G299 PolarHBondContact O-N 3.34Å; D295-L300 PolarHBondContact N-O 3.01Å | ||
| 296 | P | 80.3 | Confident | 88.6 | Confident | 98 Ų | 98 | 48.6 Ų | 48.6 | 64% | 0.636 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -23.9 | -176.8 | 24.2 | -37.2 | 0 | 0 | 0 | 114.5 | ||
| 297 | N | 79.3 | Confident | 88.6 | Confident | 129 Ų | 129 | 42.4 Ų | 42.4 | 69% | 0.69 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | -53 | -176.3 | -65 | -22.7 | 0 | 0 | 0 | 111.6 | V193 D295 | V193-N297 WeakPolarHBondContact CG1-O 3.26Å; D295-N297 PolarHBondContact O-N 3.45Å |
| 298 | S | 78.3 | Confident | 88.6 | Confident | 48 Ų | 48 | 43 Ų | 43 | 34% | 0.336 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -18.4 | -179.7 | 61.6 | 0 | 0 | 0 | 0 | 113.7 | D295 L300 | D295-S298 WeakPolarHBondContact CB-OG 2.83Å; D295-S298 WeakPolarHBondContact OD2-CB 3.38Å; D295-S298 PolarHBondContact OD2-N 3.38Å; D295-S298 VanDerWaalsContact OD2-N 3.09Å; D295-S298 PolarHBondContact OD2-OG 2.69Å; S298-L300 PolarHBondContact O-N 3.2Å; S298-L300 VanDerWaalsContact O-N 3.15Å; S298-L300 PolarHBondContact OG-N 2.59Å |
| 299 | G | 77.5 | Confident | 88.8 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | trans | 70.2 | 0.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R294 D295 | R294-G299 PolarHBondContact NH1-O 2.69Å; D295-G299 WeakPolarHBondContact O-CA 3.17Å; D295-G299 PolarHBondContact O-N 3.34Å | ||
| 300 | L | 83.9 | Confident | 88.9 | Confident | 61 Ų | 61 | 44.4 Ų | 44.4 | 32% | 0.319 | 23% | 0.228 | S | C | . | . | trans | -74.5 | 142.3 | -178.6 | -164.7 | 64.7 | 0 | 0 | 0 | 110.8 | F270 R294 D295 S298 | F270-L300 HydrophobicContact CB-CD1 4.09Å; F270-L300 HydrophobicContact CB-CG 4.23Å; R294-L300 CarbonylContact C-O 3.52Å; R294-L300 VanDerWaalsContact CA-O 3.27Å; R294-L300 WeakPolarHBondContact CA-O 3.48Å; R294-L300 WeakPolarHBondContact CB-O 3.39Å; D295-L300 PolarHBondContact N-O 3.01Å; S298-L300 PolarHBondContact O-N 3.2Å; S298-L300 VanDerWaalsContact O-N 3.15Å; S298-L300 PolarHBondContact OG-N 2.59Å | ||
| 301 | G | 86.8 | Confident | 89 | Confident | 12 Ų | 12 | 46.3 Ų | 46.3 | 12% | 0.124 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 143.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F270 G303 | F270-G301 WeakPolarHBondContact CD1-O 3.35Å; F270-G301 WeakPolarHBondContact O-CA 3.37Å; F270-G301 PolarHBondContact O-N 3.4Å; G301-G303 PolarHBondContact O-N 3.33Å |
| 302 | K | 90.9 | Very high | 89 | Confident | 107 Ų | 107 | 44.5 Ų | 44.5 | 47% | 0.465 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 3.9 | 170.8 | -62.2 | -165.9 | 179.3 | -170.6 | 0 | 113 | V293 F304 | V293-K302 HydrophobicContact CG1-CD 3.97Å; V293-K302 HydrophobicContact CG1-CG 4.43Å; V293-K302 WeakPolarHBondContact O-CB 3.33Å; V293-K302 PolarHBondContact O-N 2.95Å; K302-F304 VanDerWaalsContact C-N 3.32Å; K302-F304 HydrophobicContact CB-CD1 3.7Å; K302-F304 HydrophobicContact CB-CE1 3.42Å; K302-F304 VanDerWaalsContact CB-CE1 3.42Å; K302-F304 HydrophobicContact CB-CZ 4.32Å; K302-F304 HydrophobicContact CD-CE1 3.97Å; K302-F304 HydrophobicContact CD-CZ 4.29Å; K302-F304 HydrophobicContact CG-CE1 4.31Å |
| 303 | G | 91.7 | Very high | 89.1 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 75.2 | 19 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | N267 L268 G301 | N267-G303 PolarHBondContact N-O 3.42Å; N267-G303 VanDerWaalsContact N-O 3.08Å; L268-G303 PolarHBondContact N-O 3.3Å; L268-G303 WeakPolarHBondContact O-CA 3.48Å; G301-G303 PolarHBondContact O-N 3.33Å |
| 304 | F | 94.4 | Very high | 89.3 | Confident | 58 Ų | 58 | 47.5 Ų | 47.5 | 25% | 0.254 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 156.7 | 172.8 | 70.8 | -88.9 | 0 | 0 | 0 | 112.3 | F264 V265 V293 K302 Y306 | F264-F304 HydrophobicContact CD2-CD2 4.46Å; F264-F304 HydrophobicContact CE2-CB 3.79Å; F264-F304 AromaticContact CE2-CD2 3.69Å; F264-F304 HydrophobicContact CE2-CD2 3.69Å; F264-F304 AromaticContact CE2-CG 3.97Å; F264-F304 HydrophobicContact CE2-CG 3.97Å; F264-F304 HydrophobicContact CZ-CB 3.86Å; F264-F304 HydrophobicContact CZ-CG 4.37Å; V265-F304 CarbonylContact O-C 3.55Å; V265-F304 WeakPolarHBondContact O-CA 3.23Å; V265-F304 WeakPolarHBondContact O-CB 3.39Å; V293-F304 HydrophobicContact CB-CD2 4.07Å; V293-F304 HydrophobicContact CB-CE1 4.44Å; V293-F304 HydrophobicContact CB-CE2 3.61Å; V293-F304 HydrophobicContact CB-CZ 3.82Å; V293-F304 HydrophobicContact CG1-CE1 4.47Å; V293-F304 HydrophobicContact CG1-CE2 3.96Å; V293-F304 HydrophobicContact CG1-CZ 3.74Å; V293-F304 HydrophobicContact CG2-CD2 3.88Å; V293-F304 HydrophobicContact CG2-CE2 3.44Å; V293-F304 VanDerWaalsContact CG2-CE2 3.44Å; V293-F304 HydrophobicContact CG2-CZ 4.12Å; V293-F304 PolarHBondContact N-O 2.71Å; V293-F304 VanDerWaalsContact N-O 3.11Å; K302-F304 VanDerWaalsContact C-N 3.32Å; K302-F304 HydrophobicContact CB-CD1 3.7Å; K302-F304 HydrophobicContact CB-CE1 3.42Å; K302-F304 VanDerWaalsContact CB-CE1 3.42Å; K302-F304 HydrophobicContact CB-CZ 4.32Å; K302-F304 HydrophobicContact CD-CE1 3.97Å; K302-F304 HydrophobicContact CD-CZ 4.29Å; K302-F304 HydrophobicContact CG-CE1 4.31Å; F304-Y306 HydrophobicContact CD2-CE2 4.15Å; F304-Y306 HydrophobicContact CE2-CE2 4.09Å |
| 305 | G | 94.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | -179.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V265 R291 | V265-G305 PolarHBondContact N-O 3.31Å; V265-G305 PolarHBondContact O-N 3.23Å; R291-G305 CarbonylContact O-C 3.55Å; R291-G305 WeakPolarHBondContact O-CA 3.44Å |
| 306 | Y | 94.3 | Very high | 90 | Very high | 42 Ų | 42 | 47.9 Ų | 47.9 | 17% | 0.165 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139.8 | 175.3 | -61.2 | -97.4 | 0 | 0 | 0 | 108.9 | V263 F264 V290 R291 V293 F304 | V263-Y306 CarbonylContact O-C 3.49Å; V263-Y306 VanDerWaalsContact O-CA 3.23Å; V263-Y306 WeakPolarHBondContact O-CA 3.26Å; F264-Y306 HydrophobicContact CB-CD1 4.48Å; F264-Y306 HydrophobicContact CB-CE1 4.3Å; F264-Y306 HydrophobicContact CD2-CE1 4Å; F264-Y306 AromaticContact CD2-CZ 3.97Å; V290-Y306 CarbonylContact C-O 3.5Å; R291-Y306 PolarHBondContact N-O 2.63Å; R291-Y306 PolarHBondContact O-N 2.91Å; V293-Y306 HydrophobicContact CG2-CD2 4.15Å; V293-Y306 HydrophobicContact CG2-CE2 3.93Å; F304-Y306 HydrophobicContact CD2-CE2 4.15Å; F304-Y306 HydrophobicContact CE2-CE2 4.09Å |
| 307 | V | 94.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 126.4 | 174.2 | -179.3 | 0 | 0 | 0 | 0 | 106.9 | S262 V263 V265 F281 V287 V290 F309 | S262-V307 CarbonylContact C-O 3.51Å; S262-V307 VanDerWaalsContact CA-O 3.23Å; S262-V307 WeakPolarHBondContact CA-O 3.48Å; V263-V307 PolarHBondContact N-O 3.44Å; V263-V307 PolarHBondContact O-N 3.21Å; V265-V307 HydrophobicContact CG2-CG2 3.92Å; F281-V307 HydrophobicContact CB-CG1 4.42Å; F281-V307 HydrophobicContact CD2-CG2 3.94Å; F281-V307 HydrophobicContact CE2-CG2 4.21Å; V287-V307 HydrophobicContact CG1-CG1 3.75Å; V287-V307 HydrophobicContact CG2-CG1 4.16Å; V290-V307 HydrophobicContact CG1-CG2 4.37Å; V290-V307 HydrophobicContact CG2-CG1 4.34Å; V290-V307 HydrophobicContact CG2-CG2 4.34Å; V307-F309 HydrophobicContact CB-CE2 4.24Å; V307-F309 HydrophobicContact CG1-CD2 4.26Å; V307-F309 HydrophobicContact CG1-CE1 4.19Å; V307-F309 HydrophobicContact CG1-CE2 3.75Å; V307-F309 HydrophobicContact CG1-CZ 3.72Å |
| 308 | L | 93.3 | Very high | 91.3 | Very high | 18 Ų | 18 | 41.6 Ų | 41.6 | 9% | 0.094 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124 | 174.2 | 177.1 | 66.7 | 0 | 0 | 0 | 108 | D258 R261 S262 E288 A289 | D258-L308 HydrophobicContact CB-CD1 4.07Å; R261-L308 HydrophobicContact CB-CD1 3.89Å; S262-L308 WeakPolarHBondContact OG-CD1 3.3Å; E288-L308 HydrophobicContact CB-CD2 4.3Å; E288-L308 HydrophobicContact CB-CG 4.18Å; E288-L308 HydrophobicContact CG-CD2 4.15Å; E288-L308 PolarHBondContact N-O 3.43Å; A289-L308 HydrophobicContact CB-CB 4.31Å; A289-L308 HydrophobicContact CB-CD2 4.36Å; A289-L308 PolarHBondContact N-O 2.79Å; A289-L308 WeakPolarHBondContact O-CB 3.36Å; A289-L308 PolarHBondContact O-N 3.03Å |
| 309 | F | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 157.5 | 174.8 | -66.6 | -82.5 | 0 | 0 | 0 | 111.1 | R261 V263 F281 C284 V287 V307 S311 V315 A318 | R261-F309 PolarHBondContact O-N 2.67Å; V263-F309 HydrophobicContact CB-CE2 4.13Å; V263-F309 HydrophobicContact CG2-CD2 4.09Å; V263-F309 HydrophobicContact CG2-CE2 3.71Å; F281-F309 HydrophobicContact CB-CE1 4.08Å; F281-F309 HydrophobicContact CB-CZ 3.87Å; F281-F309 AromaticContact CD1-CZ 3.98Å; F281-F309 HydrophobicContact CD1-CZ 3.98Å; F281-F309 HydrophobicContact CG-CZ 4.15Å; C284-F309 HydrophobicContact CB-CE1 4.44Å; V287-F309 HydrophobicContact CG2-CD1 4.05Å; V287-F309 HydrophobicContact CG2-CE1 3.7Å; V307-F309 HydrophobicContact CB-CE2 4.24Å; V307-F309 HydrophobicContact CG1-CD2 4.26Å; V307-F309 HydrophobicContact CG1-CE1 4.19Å; V307-F309 HydrophobicContact CG1-CE2 3.75Å; V307-F309 HydrophobicContact CG1-CZ 3.72Å; F309-S311 WeakPolarHBondContact CB-O 3.47Å; F309-V315 HydrophobicContact CD2-CG2 4.12Å; F309-A318 HydrophobicContact CE2-CB 3.8Å; F309-A318 HydrophobicContact CZ-CB 3.76Å |
| 310 | E | 92.9 | Very high | 92.9 | Very high | 98 Ų | 98 | 46.5 Ų | 46.5 | 46% | 0.458 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -67.6 | -45.2 | 173.7 | -172.6 | 168 | -165.6 | 0 | 0 | 111.3 | R261 K286 | R261-E310 WeakPolarHBondContact CD-O 3.4Å; R261-E310 PolarHBondContact NH1-O 2.95Å; K286-E310 HydrophobicContact CB-CB 4.46Å; K286-E310 WeakPolarHBondContact CD-OE2 3.31Å; K286-E310 VanDerWaalsContact CE-OE2 3.27Å; K286-E310 WeakPolarHBondContact CE-OE2 3.23Å; K286-E310 VanDerWaalsContact CG-OE2 3.31Å; K286-E310 WeakPolarHBondContact CG-OE2 3.47Å; K286-E310 IonicContact NZ-OE1 2.68Å; K286-E310 PolarHBondContact NZ-OE1 3.04Å; K286-E310 IonicContact NZ-OE2 3.07Å; K286-E310 PolarHBondContact NZ-OE2 2.77Å; K286-E310 PolarHBondContact O-N 2.97Å; K286-E310 VanDerWaalsContact O-N 3.07Å |
| 311 | S | 93.7 | Very high | 93.3 | Very high | 44 Ų | 44 | 45.6 Ų | 45.6 | 31% | 0.308 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -103.7 | 152.7 | 177.4 | -174.7 | 0 | 0 | 0 | 0 | 113 | F309 D313 | F309-S311 WeakPolarHBondContact CB-O 3.47Å; S311-D313 VanDerWaalsContact C-N 3.31Å; S311-D313 PolarHBondContact OG-N 3.02Å; S311-D313 PolarHBondContact OG-OD2 3.33Å; S311-D313 VanDerWaalsContact OG-OD2 3.07Å |
| 312 | A | 92.3 | Very high | 93.6 | Very high | 48 Ų | 48 | 49 Ų | 49 | 40% | 0.397 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -70.6 | -26.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S314 V315 | A312-S314 VanDerWaalsContact C-N 3.3Å; A312-S314 PolarHBondContact O-N 2.89Å; A312-V315 WeakPolarHBondContact O-CB 3.34Å; A312-V315 PolarHBondContact O-N 3.3Å |
| 313 | D | 93.4 | Very high | 93.7 | Very high | 107 Ų | 107 | 46 Ų | 46 | 57% | 0.572 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -67.1 | -35.2 | -179.4 | -49 | -41.5 | 0 | 0 | 0 | 111.3 | S311 V315 E316 M317 | S311-D313 VanDerWaalsContact C-N 3.31Å; S311-D313 PolarHBondContact OG-N 3.02Å; S311-D313 PolarHBondContact OG-OD2 3.33Å; S311-D313 VanDerWaalsContact OG-OD2 3.07Å; D313-V315 PolarHBondContact O-N 3.39Å; D313-E316 PolarHBondContact O-N 3.25Å; D313-M317 PolarHBondContact O-N 3.35Å |
| 314 | S | 95 | Very high | 93.7 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 7% | 0.07 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.8 | -27.7 | 172.6 | -58.1 | 0 | 0 | 0 | 0 | 113 | C284 A312 E316 A318 | C284-S314 WeakPolarHBondContact O-CB 3.49Å; C284-S314 PolarHBondContact O-OG 3.31Å; A312-S314 VanDerWaalsContact C-N 3.3Å; A312-S314 PolarHBondContact O-N 2.89Å; S314-E316 VanDerWaalsContact C-N 3.33Å; S314-A318 VanDerWaalsContact O-CB 3.27Å; S314-A318 WeakPolarHBondContact O-CB 3.48Å; S314-A318 PolarHBondContact O-N 3.4Å |
| 315 | V | 94.6 | Very high | 93.6 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.03 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 174 | 177.5 | 0 | 0 | 0 | 0 | 110.3 | V263 F309 A312 D313 A318 L319 R335 | V263-V315 HydrophobicContact CG2-CB 3.94Å; V263-V315 HydrophobicContact CG2-CG1 3.44Å; V263-V315 VanDerWaalsContact CG2-CG1 3.44Å; V263-V315 HydrophobicContact CG2-CG2 4.02Å; F309-V315 HydrophobicContact CD2-CG2 4.12Å; A312-V315 WeakPolarHBondContact O-CB 3.34Å; A312-V315 PolarHBondContact O-N 3.3Å; D313-V315 PolarHBondContact O-N 3.39Å; V315-A318 PolarHBondContact O-N 3.46Å; V315-L319 VanDerWaalsContact O-CG 3.26Å; V315-L319 WeakPolarHBondContact O-CG 3.32Å; V315-L319 PolarHBondContact O-N 3.41Å; V315-L319 VanDerWaalsContact O-N 3.11Å; V315-R335 HydrophobicContact CG1-CG 4.46Å |
| 316 | E | 93.6 | Very high | 93.5 | Very high | 107 Ų | 107 | 53.6 Ų | 53.6 | 50% | 0.5 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.5 | -43.2 | -179.7 | -55.6 | -158.6 | 148.8 | 0 | 0 | 111.4 | D313 S314 A318 L319 S320 R335 | D313-E316 PolarHBondContact O-N 3.25Å; S314-E316 VanDerWaalsContact C-N 3.33Å; E316-A318 VanDerWaalsContact C-N 3.33Å; E316-A318 PolarHBondContact O-N 3.48Å; E316-L319 WeakPolarHBondContact O-CB 3.46Å; E316-L319 PolarHBondContact O-N 3.08Å; E316-L319 VanDerWaalsContact O-N 3.17Å; E316-S320 PolarHBondContact O-N 3.34Å; E316-R335 IonicContact OE1-CZ 3.42Å; E316-R335 IonicContact OE1-NH2 3.77Å; E316-R335 PolarHBondContact OE1-NH2 2.77Å |
| 317 | M | 94.1 | Very high | 92.8 | Very high | 96 Ų | 96 | 56.6 Ų | 56.6 | 47% | 0.473 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 172.4 | -69 | -168.6 | -85.2 | 0 | 0 | 112.2 | C284 D313 L319 S320 | C284-M317 HydrophobicContact CB-CB 3.91Å; C284-M317 WeakPolarHBondContact O-CE 3.45Å; D313-M317 PolarHBondContact O-N 3.35Å; M317-L319 VanDerWaalsContact C-N 3.27Å; M317-L319 PolarHBondContact O-N 2.88Å; M317-S320 WeakPolarHBondContact O-CB 3.37Å; M317-S320 PolarHBondContact O-N 3.08Å; M317-S320 VanDerWaalsContact O-N 3.09Å |
| 318 | A | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.7 | -32.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V263 F281 C284 F309 S314 V315 E316 S320 L321 V333 | V263-A318 HydrophobicContact CG2-CB 4.13Å; F281-A318 HydrophobicContact CD1-CB 3.98Å; F281-A318 HydrophobicContact CE1-CB 4.05Å; C284-A318 HydrophobicContact CB-CB 4.39Å; F309-A318 HydrophobicContact CE2-CB 3.8Å; F309-A318 HydrophobicContact CZ-CB 3.76Å; S314-A318 VanDerWaalsContact O-CB 3.27Å; S314-A318 WeakPolarHBondContact O-CB 3.48Å; S314-A318 PolarHBondContact O-N 3.4Å; V315-A318 PolarHBondContact O-N 3.46Å; E316-A318 VanDerWaalsContact C-N 3.33Å; E316-A318 PolarHBondContact O-N 3.48Å; A318-S320 VanDerWaalsContact C-N 3.27Å; A318-S320 PolarHBondContact O-N 2.83Å; A318-L321 WeakPolarHBondContact O-CB 3.14Å; A318-L321 PolarHBondContact O-N 2.95Å; A318-L321 VanDerWaalsContact O-N 3.15Å; A318-V333 VanDerWaalsContact O-CG1 3.29Å; A318-V333 WeakPolarHBondContact O-CG1 3.25Å |
| 319 | L | 94.6 | Very high | 92.3 | Very high | 45 Ų | 45 | 66.3 Ų | 66.3 | 24% | 0.236 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.7 | -29.9 | 175.7 | -67.2 | 164.7 | 0 | 0 | 0 | 112.4 | V315 E316 M317 L321 D322 V333 R335 | V315-L319 VanDerWaalsContact O-CG 3.26Å; V315-L319 WeakPolarHBondContact O-CG 3.32Å; V315-L319 PolarHBondContact O-N 3.41Å; V315-L319 VanDerWaalsContact O-N 3.11Å; E316-L319 WeakPolarHBondContact O-CB 3.46Å; E316-L319 PolarHBondContact O-N 3.08Å; E316-L319 VanDerWaalsContact O-N 3.17Å; M317-L319 VanDerWaalsContact C-N 3.27Å; M317-L319 PolarHBondContact O-N 2.88Å; L319-L321 PolarHBondContact O-N 3.49Å; L319-D322 WeakPolarHBondContact O-CB 3.42Å; L319-D322 PolarHBondContact O-N 2.83Å; L319-D322 VanDerWaalsContact O-N 3.16Å; L319-V333 HydrophobicContact CD2-CG1 4.46Å; L319-R335 HydrophobicContact CD1-CG 3.56Å; L319-R335 HydrophobicContact CD2-CG 3.99Å; L319-R335 HydrophobicContact CG-CG 4.35Å |
| 320 | S | 94.1 | Very high | 92.3 | Very high | 106 Ų | 106 | 69.4 Ų | 69.4 | 74% | 0.741 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -68.2 | -18.9 | 174.5 | -56.3 | 0 | 0 | 0 | 0 | 112.7 | E316 M317 A318 D322 | E316-S320 PolarHBondContact O-N 3.34Å; M317-S320 WeakPolarHBondContact O-CB 3.37Å; M317-S320 PolarHBondContact O-N 3.08Å; M317-S320 VanDerWaalsContact O-N 3.09Å; A318-S320 VanDerWaalsContact C-N 3.27Å; A318-S320 PolarHBondContact O-N 2.83Å; S320-D322 VanDerWaalsContact C-N 3.27Å; S320-D322 PolarHBondContact O-N 3.39Å |
| 321 | L | 92 | Very high | 92.4 | Very high | 42 Ų | 42 | 64.9 Ų | 64.9 | 22% | 0.22 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 9.4 | 172.3 | -61.3 | -172.3 | 0 | 0 | 0 | 113.7 | F281 C284 A318 L319 G323 S324 | F281-L321 HydrophobicContact CD1-CD1 4.36Å; F281-L321 HydrophobicContact CE1-CD1 4.43Å; C284-L321 WeakPolarHBondContact SG-CD1 3.12Å; A318-L321 WeakPolarHBondContact O-CB 3.14Å; A318-L321 PolarHBondContact O-N 2.95Å; A318-L321 VanDerWaalsContact O-N 3.15Å; L319-L321 PolarHBondContact O-N 3.49Å; L321-G323 PolarHBondContact O-N 3.13Å; L321-S324 WeakPolarHBondContact O-CB 3.37Å; L321-S324 PolarHBondContact O-N 3.34Å; L321-S324 VanDerWaalsContact O-N 3.12Å; L321-S324 PolarHBondContact O-OG 2.89Å; L321-S324 VanDerWaalsContact O-OG 3.12Å |
| 322 | D | 93.9 | Very high | 92.5 | Very high | 85 Ų | 85 | 68.8 Ų | 68.8 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 126.2 | 173.1 | -168.3 | 31.8 | 0 | 0 | 0 | 110.7 | L319 S320 R332 V333 | L319-D322 WeakPolarHBondContact O-CB 3.42Å; L319-D322 PolarHBondContact O-N 2.83Å; L319-D322 VanDerWaalsContact O-N 3.16Å; S320-D322 VanDerWaalsContact C-N 3.27Å; S320-D322 PolarHBondContact O-N 3.39Å; D322-R332 VanDerWaalsContact OD1-CA 3.23Å; D322-R332 WeakPolarHBondContact OD1-CA 3.46Å; D322-V333 HydrophobicContact CB-CB 4.15Å; D322-V333 PolarHBondContact OD1-N 2.84Å |
| 323 | G | 91.6 | Very high | 92.7 | Very high | 44 Ų | 44 | 66.7 Ų | 66.7 | 45% | 0.454 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -2.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L321 I331 | L321-G323 PolarHBondContact O-N 3.13Å; G323-I331 WeakPolarHBondContact CA-O 3.5Å; G323-I331 PolarHBondContact N-O 3.37Å |
| 324 | S | 92.9 | Very high | 92.7 | Very high | 28 Ų | 28 | 65.8 Ų | 65.8 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | trans | -62.6 | 152.1 | 175.6 | 71.3 | 0 | 0 | 0 | 0 | 111.9 | H280 L321 S330 I331 | H280-S324 PolarHBondContact CE1-OG 2.85Å; H280-S324 VanDerWaalsContact CE1-OG 3.25Å; H280-S324 PolarHBondContact NE2-OG 2.89Å; L321-S324 WeakPolarHBondContact O-CB 3.37Å; L321-S324 PolarHBondContact O-N 3.34Å; L321-S324 VanDerWaalsContact O-N 3.12Å; L321-S324 PolarHBondContact O-OG 2.89Å; L321-S324 VanDerWaalsContact O-OG 3.12Å; S324-S330 CarbonylContact O-C 3.49Å; S324-S330 WeakPolarHBondContact O-CA 3.26Å; S324-I331 WeakPolarHBondContact O-CG1 3.4Å; S324-I331 PolarHBondContact O-N 3Å; S324-I331 WeakPolarHBondContact OG-CD1 3.21Å; S324-I331 WeakPolarHBondContact OG-CG1 3.27Å | ||
| 325 | K | 92.3 | Very high | 92.6 | Very high | 180 Ų | 180 | 72 Ų | 72 | 78% | 0.783 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 127.1 | -179.4 | -67.2 | 179.8 | -179.3 | 176.9 | 0 | 110.8 | R329 | K325-R329 WeakPolarHBondContact CA-O 3.4Å |
| 326 | L | 90.7 | Very high | 92.4 | Very high | 19 Ų | 19 | 72.4 Ų | 72.4 | 10% | 0.099 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 124.1 | 172.9 | -172.4 | 68.3 | 0 | 0 | 0 | 109.2 | L268 I272 L277 H280 S328 R329 I331 | L268-L326 HydrophobicContact CD2-CD2 3.95Å; I272-L326 HydrophobicContact CD1-CD2 3.89Å; I272-L326 HydrophobicContact CD1-CG 4.16Å; I272-L326 HydrophobicContact CG1-CD2 4.41Å; L277-L326 HydrophobicContact CD2-CD2 3.67Å; L277-L326 HydrophobicContact CG-CD2 4.3Å; H280-L326 HydrophobicContact CB-CD1 3.94Å; L326-S328 PolarHBondContact O-N 3.26Å; L326-S328 VanDerWaalsContact O-N 3.13Å; L326-R329 PolarHBondContact N-O 3.49Å; L326-R329 PolarHBondContact O-N 3.41Å; L326-I331 HydrophobicContact CB-CG2 3.44Å; L326-I331 VanDerWaalsContact CB-CG2 3.44Å; L326-I331 HydrophobicContact CD2-CG2 4Å; L326-I331 HydrophobicContact CG-CG2 4.39Å |
| 327 | E | 81 | Confident | 91.9 | Very high | 105 Ų | 105 | 70 Ų | 70 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45 | 44.9 | 179.9 | -64.1 | -174.1 | 172.4 | 0 | 0 | 113.7 | I272 R329 | I272-E327 HydrophobicContact CD1-CG 3.91Å; I272-E327 WeakPolarHBondContact CD1-OE1 3.46Å; I272-E327 WeakPolarHBondContact CD1-OE2 3.11Å; E327-R329 PolarHBondContact O-N 3.24Å |
| 328 | S | 84.9 | Confident | 91.2 | Very high | 124 Ų | 124 | 67.1 Ų | 67.1 | 87% | 0.867 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | 0.4 | -179.1 | -158.5 | 0 | 0 | 0 | 0 | 117.1 | L326 | L326-S328 PolarHBondContact O-N 3.26Å; L326-S328 VanDerWaalsContact O-N 3.13Å |
| 329 | R | 92 | Very high | 90 | Very high | 100 Ų | 100 | 75.2 Ų | 75.2 | 38% | 0.377 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 142.2 | 176.2 | -64.2 | -176.6 | -179.8 | 177.3 | 0.3 | 111.9 | L268 K325 L326 E327 I331 | L268-R329 PolarHBondContact O-NH1 3.44Å; K325-R329 WeakPolarHBondContact CA-O 3.4Å; L326-R329 PolarHBondContact N-O 3.49Å; L326-R329 PolarHBondContact O-N 3.41Å; E327-R329 PolarHBondContact O-N 3.24Å; R329-I331 PolarHBondContact O-N 3.15Å |
| 330 | S | 94.4 | Very high | 88.6 | Confident | 65 Ų | 65 | 79.6 Ų | 79.6 | 46% | 0.455 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 118.3 | 170.9 | 56.8 | 0 | 0 | 0 | 0 | 109.7 | N267 S324 | N267-S330 PolarHBondContact ND2-O 2.88Å; S324-S330 CarbonylContact O-C 3.49Å; S324-S330 WeakPolarHBondContact O-CA 3.26Å |
| 331 | I | 95.9 | Very high | 87.1 | Confident | 3 Ų | 3 | 81.6 Ų | 81.6 | 2% | 0.015 | 41% | 0.405 | C | S | . | . | trans | -76.7 | 154 | -179.8 | 69.9 | 178.5 | 0 | 0 | 0 | 110.7 | V265 L268 F281 G323 S324 L326 R329 V333 | V265-I331 HydrophobicContact CG1-CB 4.19Å; V265-I331 HydrophobicContact CG1-CD1 4.31Å; L268-I331 HydrophobicContact CD2-CB 4.48Å; L268-I331 HydrophobicContact CD2-CG2 3.8Å; F281-I331 HydrophobicContact CE2-CD1 4.24Å; F281-I331 HydrophobicContact CZ-CD1 3.72Å; G323-I331 WeakPolarHBondContact CA-O 3.5Å; G323-I331 PolarHBondContact N-O 3.37Å; S324-I331 WeakPolarHBondContact O-CG1 3.4Å; S324-I331 PolarHBondContact O-N 3Å; S324-I331 WeakPolarHBondContact OG-CD1 3.21Å; S324-I331 WeakPolarHBondContact OG-CG1 3.27Å; L326-I331 HydrophobicContact CB-CG2 3.44Å; L326-I331 VanDerWaalsContact CB-CG2 3.44Å; L326-I331 HydrophobicContact CD2-CG2 4Å; L326-I331 HydrophobicContact CG-CG2 4.39Å; R329-I331 PolarHBondContact O-N 3.15Å; I331-V333 HydrophobicContact CD1-CG2 3.79Å; I331-V333 HydrophobicContact CG1-CG2 3.89Å | ||
| 332 | R | 95.1 | Very high | 85.8 | Confident | 126 Ų | 126 | 83.8 Ų | 83.8 | 48% | 0.475 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 113.8 | 175.4 | -173.8 | -171.7 | -171.3 | -163.7 | 10.9 | 110.1 | V265 G266 D322 K334 | V265-R332 CarbonylContact C-O 3.59Å; V265-R332 WeakPolarHBondContact CA-O 3.41Å; G266-R332 PolarHBondContact N-O 2.91Å; G266-R332 PolarHBondContact O-N 2.83Å; D322-R332 VanDerWaalsContact OD1-CA 3.23Å; D322-R332 WeakPolarHBondContact OD1-CA 3.46Å; R332-K334 VanDerWaalsContact NE-CE 3.27Å |
| 333 | V | 95.6 | Very high | 84.4 | Confident | 4 Ų | 4 | 84.3 Ų | 84.3 | 2% | 0.024 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 127.8 | -175.8 | -166.5 | 0 | 0 | 0 | 0 | 110.5 | V263 F264 F281 A318 L319 D322 I331 | V263-V333 HydrophobicContact CG1-CG1 3.14Å; F264-V333 WeakPolarHBondContact O-CA 3.47Å; F281-V333 HydrophobicContact CE1-CG1 4.4Å; F281-V333 HydrophobicContact CE1-CG2 4.23Å; F281-V333 HydrophobicContact CZ-CG2 3.96Å; A318-V333 VanDerWaalsContact O-CG1 3.29Å; A318-V333 WeakPolarHBondContact O-CG1 3.25Å; L319-V333 HydrophobicContact CD2-CG1 4.46Å; D322-V333 HydrophobicContact CB-CB 4.15Å; D322-V333 PolarHBondContact OD1-N 2.84Å; I331-V333 HydrophobicContact CD1-CG2 3.79Å; I331-V333 HydrophobicContact CG1-CG2 3.89Å |
| 334 | K | 94.7 | Very high | 83 | Confident | 88 Ų | 88 | 87.5 Ų | 87.5 | 38% | 0.383 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 154.9 | 179.4 | -66.1 | -166.7 | 165.5 | -165.8 | 0 | 111.5 | V263 F264 R332 S336 | V263-K334 WeakPolarHBondContact CG1-O 3.31Å; F264-K334 HydrophobicContact CB-CB 4.4Å; F264-K334 HydrophobicContact CD1-CB 4.13Å; F264-K334 PolarHBondContact N-O 3.04Å; F264-K334 PolarHBondContact O-N 3.33Å; R332-K334 VanDerWaalsContact NE-CE 3.27Å; K334-S336 PolarHBondContact O-N 3.35Å |
| 335 | R | 92.8 | Very high | 81.5 | Confident | 141 Ų | 141 | 92.6 Ų | 92.6 | 53% | 0.532 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 134.6 | 170 | -70.8 | -172.4 | 177.6 | -160.1 | -6.7 | 109.8 | V315 E316 L319 | V315-R335 HydrophobicContact CG1-CG 4.46Å; E316-R335 IonicContact OE1-CZ 3.42Å; E316-R335 IonicContact OE1-NH2 3.77Å; E316-R335 PolarHBondContact OE1-NH2 2.77Å; L319-R335 HydrophobicContact CD1-CG 3.56Å; L319-R335 HydrophobicContact CD2-CG 3.99Å; L319-R335 HydrophobicContact CG-CG 4.35Å |
| 336 | S | 89.1 | Confident | 80 | Confident | 12 Ų | 12 | 88.4 Ų | 88.4 | 8% | 0.084 | 43% | 0.43 | C | S | . | . | trans | -64.7 | 138.8 | 173.1 | -173.8 | 0 | 0 | 0 | 0 | 109.4 | H259 S262 K334 | H259-S336 PolarHBondContact ND1-OG 2.98Å; S262-S336 WeakPolarHBondContact O-CB 3.16Å; S262-S336 PolarHBondContact O-N 3.01Å; S262-S336 VanDerWaalsContact O-N 3.16Å; K334-S336 PolarHBondContact O-N 3.35Å | ||
| 337 | V | 84.4 | Confident | 78.5 | Confident | 56 Ų | 56 | 92.6 Ų | 92.6 | 34% | 0.339 | 45% | 0.453 | S | S | . | . | trans | -127.8 | 141.6 | -177.3 | -78.5 | 0 | 0 | 0 | 0 | 108.8 | Q342 | V337-Q342 HydrophobicContact CB-CG 4.08Å; V337-Q342 HydrophobicContact CG2-CG 3.29Å | ||
| 338 | T | 77.9 | Confident | 77.5 | Confident | 37 Ų | 37 | 91 Ų | 91 | 23% | 0.227 | 45% | 0.453 | C | S | . | . | trans | -61.7 | 147.3 | 174.1 | 56.3 | 0 | 0 | 0 | 0 | 109.8 | H259 E340 K341 Q342 | H259-T338 WeakPolarHBondContact CD2-CG2 3.34Å; T338-E340 PolarHBondContact O-N 3.41Å; T338-K341 PolarHBondContact O-N 3.22Å; T338-K341 VanDerWaalsContact O-N 3.08Å; T338-K341 WeakPolarHBondContact OG1-CB 3.1Å; T338-K341 WeakPolarHBondContact OG1-CG 3.33Å; T338-K341 PolarHBondContact OG1-N 3.5Å; T338-Q342 PolarHBondContact O-N 2.77Å | ||
| 339 | K | 69.4 | Low | 76.1 | Confident | 170 Ų | 170 | 91.6 Ų | 91.6 | 74% | 0.739 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -55.3 | -38 | 177.8 | -79.2 | -179.1 | 177.6 | 176.3 | 0 | 112.2 | Q342 I343 | K339-Q342 PolarHBondContact O-N 3.39Å; K339-I343 WeakPolarHBondContact O-CG1 3.37Å; K339-I343 PolarHBondContact O-N 3.05Å |
| 340 | E | 66.4 | Low | 74.2 | Confident | 137 Ų | 137 | 88.9 Ų | 88.9 | 64% | 0.64 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60 | -46.4 | 176 | -68.7 | 140.7 | -162.9 | 0 | 0 | 112 | T338 Q342 I343 N344 | T338-E340 PolarHBondContact O-N 3.41Å; E340-Q342 VanDerWaalsContact C-N 3.31Å; E340-Q342 PolarHBondContact O-N 3.46Å; E340-I343 PolarHBondContact O-N 3.18Å; E340-N344 PolarHBondContact O-N 2.94Å; E340-N344 VanDerWaalsContact O-N 3.11Å |
| 341 | K | 62.6 | Low | 72.3 | Confident | 148 Ų | 148 | 89 Ų | 89 | 64% | 0.643 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -67.4 | -32.2 | 176.7 | -73.9 | -178.8 | 178.9 | -177.1 | 0 | 112.1 | T338 K345 | T338-K341 PolarHBondContact O-N 3.22Å; T338-K341 VanDerWaalsContact O-N 3.08Å; T338-K341 WeakPolarHBondContact OG1-CB 3.1Å; T338-K341 WeakPolarHBondContact OG1-CG 3.33Å; T338-K341 PolarHBondContact OG1-N 3.5Å; K341-K345 WeakPolarHBondContact O-CB 3.35Å; K341-K345 PolarHBondContact O-N 3.43Å |
| 342 | Q | 63.6 | Low | 70.1 | Confident | 88 Ų | 88 | 95.1 Ų | 95.1 | 41% | 0.411 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.2 | -47.1 | 173.8 | -72.4 | -153.8 | -27.9 | 0 | 0 | 112.3 | V337 T338 K339 E340 N344 K345 T346 | V337-Q342 HydrophobicContact CB-CG 4.08Å; V337-Q342 HydrophobicContact CG2-CG 3.29Å; T338-Q342 PolarHBondContact O-N 2.77Å; K339-Q342 PolarHBondContact O-N 3.39Å; E340-Q342 VanDerWaalsContact C-N 3.31Å; E340-Q342 PolarHBondContact O-N 3.46Å; Q342-N344 VanDerWaalsContact C-N 3.31Å; Q342-N344 PolarHBondContact O-N 3.45Å; Q342-K345 PolarHBondContact O-N 3.15Å; Q342-K345 VanDerWaalsContact O-N 3.15Å; Q342-T346 PolarHBondContact O-N 3.09Å; Q342-T346 PolarHBondContact O-OG1 3.48Å |
| 343 | I | 64.1 | Low | 68 | Low | 95 Ų | 95 | 99 Ų | 99 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 179.3 | -65.3 | 162.7 | 0 | 0 | 0 | 110.7 | K339 E340 K345 T346 N347 | K339-I343 WeakPolarHBondContact O-CG1 3.37Å; K339-I343 PolarHBondContact O-N 3.05Å; E340-I343 PolarHBondContact O-N 3.18Å; I343-K345 VanDerWaalsContact C-N 3.34Å; I343-K345 PolarHBondContact O-N 2.65Å; I343-T346 WeakPolarHBondContact CA-OG1 3.4Å; I343-T346 PolarHBondContact O-N 2.84Å; I343-T346 PolarHBondContact O-OG1 3.49Å; I343-N347 WeakPolarHBondContact O-CB 3.48Å; I343-N347 PolarHBondContact O-N 3.47Å |
| 344 | N | 63.1 | Low | 65.9 | Low | 111 Ų | 111 | 107 Ų | 107 | 59% | 0.594 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.4 | -34.6 | 177.7 | -68.6 | -6.6 | 0 | 0 | 0 | 112.3 | E340 Q342 S348 | E340-N344 PolarHBondContact O-N 2.94Å; E340-N344 VanDerWaalsContact O-N 3.11Å; Q342-N344 VanDerWaalsContact C-N 3.31Å; Q342-N344 PolarHBondContact O-N 3.45Å; N344-S348 WeakPolarHBondContact O-CB 3.38Å; N344-S348 PolarHBondContact O-N 3.32Å; N344-S348 VanDerWaalsContact O-N 3.08Å; N344-S348 PolarHBondContact O-OG 3.38Å |
| 345 | K | 60.9 | Low | 63.8 | Low | 136 Ų | 136 | 106.6 Ų | 106.6 | 59% | 0.591 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.5 | -30.7 | 176.6 | -163.4 | 167.5 | -171.7 | 168 | 0 | 112.9 | K341 Q342 I343 S348 K349 | K341-K345 WeakPolarHBondContact O-CB 3.35Å; K341-K345 PolarHBondContact O-N 3.43Å; Q342-K345 PolarHBondContact O-N 3.15Å; Q342-K345 VanDerWaalsContact O-N 3.15Å; I343-K345 VanDerWaalsContact C-N 3.34Å; I343-K345 PolarHBondContact O-N 2.65Å; K345-S348 WeakPolarHBondContact CA-OG 3.49Å; K345-S348 PolarHBondContact O-OG 2.98Å; K345-S348 VanDerWaalsContact O-OG 3.12Å; K345-K349 WeakPolarHBondContact O-CG 3.11Å; K345-K349 PolarHBondContact O-N 3.11Å |
| 346 | T | 61.3 | Low | 61.8 | Low | 91 Ų | 91 | 110.6 Ų | 110.6 | 56% | 0.558 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -76.3 | -39 | 174 | 51.4 | 0 | 0 | 0 | 0 | 111.9 | Q342 I343 K349 G350 | Q342-T346 PolarHBondContact O-N 3.09Å; Q342-T346 PolarHBondContact O-OG1 3.48Å; I343-T346 WeakPolarHBondContact CA-OG1 3.4Å; I343-T346 PolarHBondContact O-N 2.84Å; I343-T346 PolarHBondContact O-OG1 3.49Å; T346-K349 PolarHBondContact O-N 3.44Å; T346-G350 PolarHBondContact O-N 2.84Å; T346-G350 VanDerWaalsContact O-N 3.08Å |
| 347 | N | 59.7 | Low | 60 | Low | 108 Ų | 108 | 118.3 Ų | 118.3 | 58% | 0.578 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68 | -38.4 | 178 | -76.3 | -4.9 | 0 | 0 | 0 | 112.6 | I343 G350 A351 | I343-N347 WeakPolarHBondContact O-CB 3.48Å; I343-N347 PolarHBondContact O-N 3.47Å; N347-G350 PolarHBondContact O-N 2.91Å; N347-A351 PolarHBondContact O-N 2.63Å; N347-A351 VanDerWaalsContact O-N 3.16Å |
| 348 | S | 58.9 | Low | 58.3 | Low | 70 Ų | 70 | 123.1 Ų | 123.1 | 49% | 0.49 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.3 | -35.7 | 174.9 | 46 | 0 | 0 | 0 | 0 | 113.2 | N344 K345 L352 | N344-S348 WeakPolarHBondContact O-CB 3.38Å; N344-S348 PolarHBondContact O-N 3.32Å; N344-S348 VanDerWaalsContact O-N 3.08Å; N344-S348 PolarHBondContact O-OG 3.38Å; K345-S348 WeakPolarHBondContact CA-OG 3.49Å; K345-S348 PolarHBondContact O-OG 2.98Å; K345-S348 VanDerWaalsContact O-OG 3.12Å; S348-L352 PolarHBondContact O-N 3.35Å |
| 349 | K | 55.8 | Low | 56.8 | Low | 138 Ų | 138 | 125.7 Ų | 125.7 | 60% | 0.6 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -72.5 | -27.6 | 173.5 | -74.3 | -171.8 | 175.2 | -168.3 | 0 | 113.7 | K345 T346 | K345-K349 WeakPolarHBondContact O-CG 3.11Å; K345-K349 PolarHBondContact O-N 3.11Å; T346-K349 PolarHBondContact O-N 3.44Å |
| 350 | G | 52.5 | Low | 55.7 | Low | 42 Ų | 42 | 120.8 Ų | 120.8 | 43% | 0.433 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -70.5 | -36.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T346 N347 R353 K354 | T346-G350 PolarHBondContact O-N 2.84Å; T346-G350 VanDerWaalsContact O-N 3.08Å; N347-G350 PolarHBondContact O-N 2.91Å; G350-R353 PolarHBondContact O-N 3.06Å; G350-K354 PolarHBondContact O-N 2.93Å |
| 351 | A | 54.6 | Low | 54.5 | Low | 67 Ų | 67 | 124.6 Ų | 124.6 | 55% | 0.554 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.3 | -39.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N347 R353 K354 S355 | N347-A351 PolarHBondContact O-N 2.63Å; N347-A351 VanDerWaalsContact O-N 3.16Å; A351-R353 VanDerWaalsContact C-N 3.34Å; A351-R353 PolarHBondContact O-N 3.18Å; A351-K354 PolarHBondContact O-N 3.5Å; A351-S355 PolarHBondContact O-N 2.94Å |
| 352 | L | 49.8 | Very low | 53.2 | Low | 132 Ų | 132 | 120.9 Ų | 120.9 | 69% | 0.691 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.1 | -30 | 179.3 | -170 | 62.4 | 0 | 0 | 0 | 113.2 | S348 | S348-L352 PolarHBondContact O-N 3.35Å |
| 353 | R | 51.6 | Low | 51.9 | Low | 207 Ų | 207 | 122.9 Ų | 122.9 | 78% | 0.781 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -74.1 | -29.4 | 176 | -67.9 | -176.5 | 99.4 | 177.9 | 5.8 | 113 | G350 A351 | G350-R353 PolarHBondContact O-N 3.06Å; A351-R353 VanDerWaalsContact C-N 3.34Å; A351-R353 PolarHBondContact O-N 3.18Å |
| 354 | K | 51.3 | Low | 50.5 | Low | 172 Ų | 172 | 122.4 Ų | 122.4 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -74 | -28 | 174.7 | -109.3 | -178.7 | 177.9 | -179.2 | 0 | 113.2 | G350 A351 | G350-K354 PolarHBondContact O-N 2.93Å; A351-K354 PolarHBondContact O-N 3.5Å |
| 355 | S | 51.1 | Low | 49 | Very low | 81 Ų | 81 | 120.6 Ų | 120.6 | 57% | 0.566 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -72.4 | -26.9 | 175.4 | -177.3 | 0 | 0 | 0 | 0 | 113.3 | A351 | A351-S355 PolarHBondContact O-N 2.94Å |
| 356 | R | 50.1 | Low | 48.1 | Very low | 224 Ų | 224 | 118.9 Ų | 118.9 | 85% | 0.845 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -89.3 | -11.6 | -174 | -146.9 | 171.8 | 173.9 | 154.1 | -2.3 | 114.2 | ||
| 357 | Q | 50.8 | Low | 46.7 | Very low | 174 Ų | 174 | 126.3 Ų | 126.3 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -7 | 171.4 | -81.5 | 176.5 | -23 | 0 | 0 | 113.5 | ||
| 358 | N | 49.5 | Very low | 46 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -107.8 | 8.1 | 179.9 | -126.2 | 21.2 | 0 | 0 | 0 | 114.1 | ||
| 359 | A | 46 | Very low | 45.1 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -120.2 | 44.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 360 | G | 46.6 | Very low | 43.9 | Very low | 67 Ų | 67 | 130.7 Ų | 130.7 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -167.7 | 56.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 361 | K | 39.9 | Very low | 43.3 | Very low | 217 Ų | 217 | 138.3 Ų | 138.3 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | trans | -161.6 | 75.3 | 159.6 | -115.2 | 173.2 | -179 | -177.9 | 0 | 109.7 | ||||
| 362 | G | 36.6 | Very low | 42.3 | Very low | 70 Ų | 70 | 139.6 Ų | 139.6 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | -102.2 | 128.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 363 | S | 36.6 | Very low | 41.7 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | 60.3 | 113.2 | 158.2 | 64.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 364 | G | 33.5 | Very low | 40.8 | Very low | 84 Ų | 84 | 140.4 Ų | 140.4 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | trans | 148.7 | 105.4 | 148.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 365 | G | 31.6 | Very low | 40.2 | Very low | 74 Ų | 74 | 139 Ų | 139 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | trans | 118 | 97.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 366 | A | 43.4 | Very low | 39.6 | Very low | 99 Ų | 99 | 143 Ų | 143 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -68.4 | 121 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 367 | W | 30.1 | Very low | 39.2 | Very low | 248 Ų | 248 | 141.7 Ų | 141.7 | 94% | 0.939 | 83% | 0.827 | S | S | * | * | trans | -140.8 | 113.3 | 161.7 | -83.6 | 68.8 | 0 | 0 | 0 | 109 | ||||
| 368 | K | 46.3 | Very low | 38.7 | Very low | 208 Ų | 208 | 139.3 Ų | 139.3 | 90% | 0.904 | 83% | 0.827 | S | S | * | * | trans | -76.1 | 145.3 | 168.9 | -66.1 | -176.6 | 175.2 | -176.2 | 0 | 109.1 | ||||
| 369 | P | 39 | Very low | 38.2 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | trans | -108.1 | 130.5 | 150.8 | 27.5 | -14.3 | 0 | 0 | 0 | 110.4 | ||||
| 370 | G | 31.5 | Very low | 38 | Very low | 75 Ų | 75 | 140.9 Ų | 140.9 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | trans | -67.3 | 164 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 371 | Q | 40.3 | Very low | 37.7 | Very low | 202 Ų | 202 | 145.4 Ų | 145.4 | 94% | 0.944 | 84% | 0.838 | S | S | * | * | trans | -53.8 | 134.5 | 172 | -68.3 | 169.1 | -26.4 | 0 | 0 | 111.8 | ||||
| 372 | A | 32.3 | Very low | 37.7 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | trans | -143.3 | 110.1 | 150.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | F374 | A372-F374 PolarHBondContact O-N 3.05Š| ||
| 373 | N | 38.2 | Very low | 37.6 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 87% | 0.872 | 84% | 0.836 | S | S | * | * | trans | -62.4 | 122.2 | 171.2 | -90 | -22.2 | 0 | 0 | 0 | 110 | ||||
| 374 | F | 33.2 | Very low | 38 | Very low | 192 Ų | 192 | 145.9 Ų | 145.9 | 84% | 0.842 | 83% | 0.833 | S | S | * | * | trans | -126.5 | 111.3 | 150.1 | -103 | -87.5 | 0 | 0 | 0 | 109.1 | A372 | A372-F374 PolarHBondContact O-N 3.05Š| ||
| 375 | N | 37.8 | Very low | 38.5 | Very low | 143 Ų | 143 | 151.4 Ų | 151.4 | 77% | 0.765 | 83% | 0.833 | S | S | * | * | trans | -87.6 | 102.8 | -175.1 | -161.3 | 39.2 | 0 | 0 | 0 | 108.8 | ||||
| 376 | H | 38.4 | Very low | 38.9 | Very low | 166 Ų | 166 | 150.3 Ų | 150.3 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | -127 | 111.5 | 161.6 | -79.8 | -66.5 | 0 | 0 | 0 | 109.7 | ||||
| 377 | K | 42.1 | Very low | 39.3 | Very low | 196 Ų | 196 | 155.1 Ų | 155.1 | 85% | 0.852 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 136.5 | 168.6 | -67.7 | 176.2 | 176.5 | 177.5 | 0 | 110 | ||
| 378 | P | 39.4 | Very low | 40 | Very low | 124 Ų | 124 | 152.1 Ų | 152.1 | 81% | 0.805 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 129.3 | 150.8 | 31.2 | -23 | 0 | 0 | 0 | 110.3 | ||
| 379 | S | 38.9 | Very low | 40.1 | Very low | 112 Ų | 112 | 147 Ų | 147 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 149.9 | 169.6 | 42.3 | 0 | 0 | 0 | 0 | 111.8 | I381 | S379-I381 PolarHBondContact O-N 2.81Š|
| 380 | N | 43 | Very low | 40.9 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 121.8 | 175.6 | -81.3 | -47.7 | 0 | 0 | 0 | 113.4 | ||
| 381 | I | 38.9 | Very low | 42.1 | Very low | 163 Ų | 163 | 150 Ų | 150 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | -135.7 | 124.3 | 154.7 | -115.1 | 148 | 0 | 0 | 0 | 108.5 | S379 S383 | S379-I381 PolarHBondContact O-N 2.81Å; I381-S383 PolarHBondContact O-N 3.41Å | ||
| 382 | S | 39.9 | Very low | 42.5 | Very low | 116 Ų | 116 | 149.3 Ų | 149.3 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | trans | -65.3 | 125.5 | -170.2 | 56.9 | 0 | 0 | 0 | 0 | 111.6 | F384 | S382-F384 PolarHBondContact O-N 3.37Š| ||
| 383 | S | 35.1 | Very low | 43.6 | Very low | 116 Ų | 116 | 153.2 Ų | 153.2 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | trans | -80 | 90.9 | 176 | 45.4 | 0 | 0 | 0 | 0 | 110.4 | I381 K385 | I381-S383 PolarHBondContact O-N 3.41Å; S383-K385 VanDerWaalsContact C-N 3.34Å; S383-K385 PolarHBondContact O-N 3.36Å | ||
| 384 | F | 45.4 | Very low | 43.8 | Very low | 195 Ų | 195 | 155.3 Ų | 155.3 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | -74.7 | 90 | 162.6 | -174.9 | -101.4 | 0 | 0 | 0 | 109.2 | S382 G386 | S382-F384 PolarHBondContact O-N 3.37Å; F384-G386 PolarHBondContact O-N 3.13Å | ||
| 385 | K | 43 | Very low | 44.1 | Very low | 199 Ų | 199 | 152.5 Ų | 152.5 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | -86 | 93.7 | 174.2 | -159.9 | 177 | -173.7 | -179.1 | 0 | 108.6 | S383 E387 | S383-K385 VanDerWaalsContact C-N 3.34Å; S383-K385 PolarHBondContact O-N 3.36Å; K385-E387 PolarHBondContact O-N 3.49Å | ||
| 386 | G | 40.1 | Very low | 44.3 | Very low | 52 Ų | 52 | 155.7 Ų | 155.7 | 54% | 0.536 | 82% | 0.819 | S | S | . | * | trans | -68.4 | 113 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F384 M388 | F384-G386 PolarHBondContact O-N 3.13Å; G386-M388 PolarHBondContact O-N 3.37Å | ||
| 387 | E | 52.3 | Low | 44.4 | Very low | 199 Ų | 199 | 157.1 Ų | 157.1 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 125.3 | 166.2 | -104.3 | -177.2 | 148.9 | 0 | 0 | 109.9 | K385 A389 | K385-E387 PolarHBondContact O-N 3.49Å; E387-A389 PolarHBondContact O-N 3.36Å |
| 388 | M | 45 | Very low | 44 | Very low | 185 Ų | 185 | 153.9 Ų | 153.9 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 121.4 | 173.5 | -69.1 | 175.2 | 63.4 | 0 | 0 | 109.8 | G386 N390 | G386-M388 PolarHBondContact O-N 3.37Å; M388-N390 PolarHBondContact O-N 3.45Å |
| 389 | A | 49.1 | Very low | 43.8 | Very low | 100 Ų | 100 | 156 Ų | 156 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 123.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E387 | E387-A389 PolarHBondContact O-N 3.36Š|
| 390 | N | 55.7 | Low | 43.6 | Very low | 140 Ų | 140 | 160.2 Ų | 160.2 | 75% | 0.749 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 124.7 | 171 | -97.3 | -28 | 0 | 0 | 0 | 110.9 | M388 H392 | M388-N390 PolarHBondContact O-N 3.45Å; N390-H392 PolarHBondContact O-N 3.34Å |
| 391 | P | 55.4 | Low | 43.3 | Very low | 122 Ų | 122 | 161.8 Ų | 161.8 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 8.2 | -172.5 | 28.5 | -34.2 | 0 | 0 | 0 | 115.8 | ||
| 392 | H | 48.9 | Very low | 43.2 | Very low | 189 Ų | 189 | 164 Ų | 164 | 88% | 0.875 | 83% | 0.829 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | 6.6 | -178.4 | -80.9 | -6.7 | 0 | 0 | 0 | 115.9 | N390 K394 | N390-H392 PolarHBondContact O-N 3.34Å; H392-K394 PolarHBondContact O-N 3.46Å |
| 393 | K | 55 | Low | 42.8 | Very low | 176 Ų | 176 | 165.9 Ų | 165.9 | 77% | 0.765 | 83% | 0.831 | S | S | * | * | trans | -93.6 | 102.4 | 176.3 | -130.6 | 178.2 | -176 | -179.4 | 0 | 111.2 | N395 | K393-N395 PolarHBondContact O-N 3.44Š| ||
| 394 | K | 42.8 | Very low | 42.8 | Very low | 208 Ų | 208 | 170.4 Ų | 170.4 | 90% | 0.904 | 84% | 0.836 | S | S | * | * | trans | -75.8 | 105.7 | 169.5 | -77.3 | -179.8 | 179.3 | 174.4 | 0 | 109.6 | H392 | H392-K394 PolarHBondContact O-N 3.46Š| ||
| 395 | N | 40.3 | Very low | 42.4 | Very low | 132 Ų | 132 | 167.5 Ų | 167.5 | 71% | 0.706 | 83% | 0.834 | S | S | * | * | trans | -94.4 | 110.1 | 169.3 | -78.6 | -9.6 | 0 | 0 | 0 | 110.4 | K393 K397 | K393-N395 PolarHBondContact O-N 3.44Å; N395-K397 PolarHBondContact O-N 3Å | ||
| 396 | K | 42.3 | Very low | 42.1 | Very low | 210 Ų | 210 | 169.8 Ų | 169.8 | 91% | 0.913 | 84% | 0.838 | S | S | * | * | trans | -68.4 | 112.1 | 163.1 | -98.2 | 179.2 | 174 | 177.1 | 0 | 108.2 | ||||
| 397 | K | 40 | Very low | 42 | Very low | 197 Ų | 197 | 177.2 Ų | 177.2 | 86% | 0.857 | 86% | 0.855 | S | S | * | * | trans | -92.7 | 110.8 | 165.7 | -80.5 | -173.3 | 176.4 | -179.8 | 0 | 109.2 | N395 | N395-K397 PolarHBondContact O-N 3Š| ||
| 398 | V | 34.4 | Very low | 41.3 | Very low | 128 Ų | 128 | 174.3 Ų | 174.3 | 78% | 0.776 | 85% | 0.851 | S | S | * | * | trans | -77.7 | 122.9 | 166.1 | 175.7 | 0 | 0 | 0 | 0 | 107.9 | K400 | V398-K400 PolarHBondContact O-N 2.91Š| ||
| 399 | L | 35.3 | Very low | 41 | Very low | 168 Ų | 168 | 174.5 Ų | 174.5 | 88% | 0.88 | 85% | 0.849 | S | S | * | * | trans | -79.7 | 109.5 | 177.2 | -133.7 | 80.7 | 0 | 0 | 0 | 108.9 | ||||
| 400 | K | 34.3 | Very low | 40.4 | Very low | 200 Ų | 200 | 181.6 Ų | 181.6 | 87% | 0.87 | 86% | 0.855 | S | S | * | * | trans | -83.7 | 115.8 | 167.4 | -81.5 | -171 | 174.7 | -177 | 0 | 109.5 | V398 | V398-K400 PolarHBondContact O-N 2.91Š| ||
| 401 | K | 36.3 | Very low | 39.7 | Very low | 203 Ų | 203 | 181 Ų | 181 | 88% | 0.883 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 125.6 | 169.4 | -109.8 | 174.3 | 174.2 | 175.5 | 0 | 109.5 | ||
| 402 | K | 35.8 | Very low | 38.7 | Very low | 208 Ų | 208 | 179.4 Ų | 179.4 | 90% | 0.904 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 118.4 | 165.9 | -92.3 | -176.8 | 172.6 | -178.9 | 0 | 108.8 | ||
| 403 | N | 33.3 | Very low | 38.3 | Very low | 157 Ų | 157 | 176.3 Ų | 176.3 | 84% | 0.84 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -72 | 135 | 169.8 | -82.8 | -10.8 | 0 | 0 | 0 | 110.2 | ||
| 404 | K | 35.2 | Very low | 37.5 | Very low | 210 Ų | 210 | 181.3 Ų | 181.3 | 91% | 0.913 | 86% | 0.864 | S | S | * | * | trans | -100.4 | 110.6 | 178.6 | -162.7 | 177.4 | -175 | -178.8 | 0 | 108 | ||||
| 405 | T | 36.3 | Very low | 37.2 | Very low | 135 Ų | 135 | 180 Ų | 180 | 83% | 0.828 | 86% | 0.862 | S | S | * | * | trans | -76.8 | 128.7 | 174 | 42.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 406 | R | 35.8 | Very low | 37 | Very low | 247 Ų | 247 | 182.5 Ų | 182.5 | 93% | 0.932 | 87% | 0.87 | S | S | * | * | trans | -68.7 | 133.4 | 173.4 | -65.2 | 168.9 | 95.8 | 175.9 | 4.8 | 109.1 | ||||
| 407 | K | 39.3 | Very low | 36.8 | Very low | 208 Ų | 208 | 181 Ų | 181 | 90% | 0.904 | 87% | 0.868 | S | S | * | * | trans | -110.9 | 133.1 | 161.2 | -88.5 | -173.2 | 175.1 | -177.4 | 0 | 108.9 | ||||
| 408 | T | 37.9 | Very low | 36.6 | Very low | 138 Ų | 138 | 180.1 Ų | 180.1 | 85% | 0.847 | 87% | 0.869 | S | S | * | * | trans | -77.5 | 153.4 | -173.3 | 42.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 409 | H | 37.3 | Very low | 36.7 | Very low | 189 Ų | 189 | 183.3 Ų | 183.3 | 88% | 0.875 | 87% | 0.874 | S | S | * | * | trans | -61 | 145.1 | 172.4 | -81.7 | -94.5 | 0 | 0 | 0 | 112.3 | ||||
| 410 | R | 36.5 | Very low | 36.8 | Very low | 249 Ų | 249 | 184.3 Ų | 184.3 | 94% | 0.94 | 87% | 0.874 | S | S | * | * | trans | -133.5 | 128 | 151 | -166 | 173.8 | 177.1 | 173.4 | -0.7 | 109 | ||||
| 411 | V | 41.9 | Very low | 37 | Very low | 126 Ų | 126 | 183.2 Ų | 183.2 | 76% | 0.764 | 87% | 0.874 | S | S | * | * | trans | -78.3 | 148.1 | -179.1 | 174.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 412 | S | 33.5 | Very low | 37 | Very low | 89 Ų | 89 | 181.7 Ų | 181.7 | 62% | 0.622 | 87% | 0.874 | S | S | * | * | 140.5 | 123.9 | 124.3 | -161 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 413 | T | 40.1 | Very low | 37.1 | Very low | 125 Ų | 125 | 179.5 Ų | 179.5 | 77% | 0.767 | 87% | 0.871 | S | S | * | * | trans | 62.9 | 117.8 | 140.1 | 53.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 414 | K | 38.6 | Very low | 37.5 | Very low | 281 Ų | 281 | 181.5 Ų | 181.5 | 100% | 1.222 | 87% | 0.874 | S | S | * | * | -150.2 | 0 | 82.1 | -104 | -178.4 | 179.4 | -179.7 | 0 | 110.5 |
Retrieved 414 of 414 residues in 176.3 ms
(Link to these results)