| 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 | 46.3 | Very low | 44 | Very low | 254 Ų | 254 | 139.8 Ų | 139.8 | 100% | 1.251 | 88% | 0.883 | S | S | * | * | 0 | 128.9 | 0 | -78.7 | 176.8 | 168.8 | 0 | 0 | 107.9 | |||||
| 2 | G | 51.3 | Low | 43.7 | Very low | 73 Ų | 73 | 134.8 Ų | 134.8 | 75% | 0.753 | 88% | 0.877 | S | S | * | * | trans | 87.8 | 76.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 3 | Q | 46.1 | Very low | 43.2 | Very low | 198 Ų | 198 | 131.1 Ų | 131.1 | 93% | 0.925 | 88% | 0.878 | S | S | * | * | 68.3 | 108.2 | 85 | -82.2 | -174.5 | 3.9 | 0 | 0 | 116.4 | |||||
| 4 | S | 48.6 | Very low | 42.8 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 90% | 0.895 | 87% | 0.874 | S | S | * | * | -173.7 | 111.9 | 113.7 | 60.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 5 | Q | 39.4 | Very low | 42.5 | Very low | 196 Ų | 196 | 132.3 Ų | 132.3 | 92% | 0.916 | 87% | 0.874 | S | S | * | * | trans | -128.2 | 139.7 | 170.9 | -126 | -174.3 | 8.2 | 0 | 0 | 107.2 | ||||
| 6 | S | 46.1 | Very low | 42.5 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 92% | 0.916 | 88% | 0.875 | S | S | * | * | trans | 159 | 140.9 | 153.5 | 46.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 7 | G | 41.7 | Very low | 42.5 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 80% | 0.804 | 87% | 0.869 | S | S | * | * | cis | -166.9 | 149.1 | -4.3 | 0 | 0 | 0 | 0 | 0 | 104 | ||||
| 8 | G | 38.7 | Very low | 42.6 | Very low | 68 Ų | 68 | 138.8 Ų | 138.8 | 70% | 0.701 | 87% | 0.87 | S | S | * | * | 95.4 | 99.2 | 50.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 9 | H | 44.3 | Very low | 42.6 | Very low | 206 Ų | 206 | 141.3 Ų | 141.3 | 95% | 0.954 | 87% | 0.867 | S | S | * | * | trans | 149.1 | 132 | 154.8 | -89.6 | 74.4 | 0 | 0 | 0 | 108.9 | ||||
| 10 | G | 41.8 | Very low | 42.8 | Very low | 67 Ų | 67 | 142.9 Ų | 142.9 | 69% | 0.691 | 87% | 0.869 | S | S | * | * | cis | 175.1 | 153.9 | 3 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 11 | P | 40 | Very low | 43.1 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 90% | 0.903 | 87% | 0.866 | S | S | * | * | trans | -100.4 | 154.2 | -159.5 | 37.3 | -30.5 | 0 | 0 | 0 | 113.8 | ||||
| 12 | G | 39.8 | Very low | 43.1 | Very low | 79 Ų | 79 | 142.9 Ų | 142.9 | 81% | 0.814 | 85% | 0.85 | S | S | * | * | trans | -162.5 | 118.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 13 | G | 37.6 | Very low | 42.9 | Very low | 87 Ų | 87 | 149.5 Ų | 149.5 | 90% | 0.897 | 86% | 0.859 | S | S | * | * | trans | -87.9 | 174.9 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 14 | G | 37.5 | Very low | 42.6 | Very low | 79 Ų | 79 | 149 Ų | 149 | 81% | 0.814 | 85% | 0.854 | S | S | * | * | trans | 160.5 | 89.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 15 | K | 38.2 | Very low | 43 | Very low | 201 Ų | 201 | 152.5 Ų | 152.5 | 87% | 0.874 | 85% | 0.849 | S | S | * | * | trans | -49.1 | 141.4 | 177.2 | -72.1 | 168.8 | 169.1 | 174.1 | 0 | 114.3 | ||||
| 16 | K | 43 | Very low | 43.6 | Very low | 206 Ų | 206 | 150.9 Ų | 150.9 | 90% | 0.896 | 84% | 0.841 | S | S | * | * | -165.2 | 127.3 | 122.2 | -109.9 | 173.1 | -179.4 | 178.8 | 0 | 111.7 | |||||
| 17 | D | 42.1 | Very low | 44.2 | Very low | 144 Ų | 144 | 149.4 Ų | 149.4 | 77% | 0.77 | 83% | 0.828 | S | S | * | * | trans | -61.2 | 136.7 | 176.5 | -62.3 | -76.7 | 0 | 0 | 0 | 112.6 | ||||
| 18 | D | 45.1 | Very low | 45.1 | Very low | 165 Ų | 165 | 151.3 Ų | 151.3 | 88% | 0.882 | 83% | 0.826 | S | S | * | * | trans | -155.5 | 126.4 | 131.5 | -116.3 | -34.7 | 0 | 0 | 0 | 111.2 | ||||
| 19 | K | 41.2 | Very low | 45.8 | Very low | 186 Ų | 186 | 154.4 Ų | 154.4 | 81% | 0.809 | 83% | 0.831 | S | S | * | * | trans | -97.7 | 102.2 | -174.8 | -91 | 175.6 | 172.9 | 166.5 | 0 | 109.4 | K21 | K19-K21 PolarHBondContact O-N 2.65Š| ||
| 20 | D | 47.1 | Very low | 45.8 | Very low | 173 Ų | 173 | 150.4 Ų | 150.4 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | -90.4 | 102.6 | 165 | -98.8 | -40.2 | 0 | 0 | 0 | 111.4 | ||||
| 21 | K | 48.7 | Very low | 45.9 | Very low | 185 Ų | 185 | 154 Ų | 154 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 125.7 | 174.5 | -80.7 | 175.6 | 173.8 | 174.5 | 0 | 110.6 | K19 K23 | K19-K21 PolarHBondContact O-N 2.65Å; K21-K23 PolarHBondContact O-N 2.81Å |
| 22 | K | 46.3 | Very low | 45.8 | Very low | 211 Ų | 211 | 159 Ų | 159 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 120.8 | 166 | -75.1 | 174.8 | 173.7 | 175.8 | 0 | 111.8 | K24 | K22-K24 PolarHBondContact O-N 3.47Š|
| 23 | K | 47.6 | Very low | 45.9 | Very low | 212 Ų | 212 | 162.4 Ų | 162.4 | 92% | 0.922 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -75 | 116.1 | 169.6 | -75.1 | -178.5 | 178.4 | 176.6 | 0 | 110 | K21 | K21-K23 PolarHBondContact O-N 2.81Š|
| 24 | K | 40.3 | Very low | 46.2 | Very low | 189 Ų | 189 | 161.8 Ų | 161.8 | 82% | 0.822 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 128.3 | 171.8 | -164.7 | 179.3 | -177.2 | -172.4 | 0 | 108.2 | K22 | K22-K24 PolarHBondContact O-N 3.47Š|
| 25 | Y | 56.4 | Low | 46.1 | Very low | 201 Ų | 201 | 167.9 Ų | 167.9 | 79% | 0.788 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 129.4 | 178.3 | -179.9 | -95.3 | 0 | 0 | 0 | 110.3 | ||
| 26 | E | 51.4 | Low | 46.3 | Very low | 162 Ų | 162 | 168.5 Ų | 168.5 | 76% | 0.757 | 84% | 0.838 | S | S | * | * | trans | -121.1 | 135.7 | 169.5 | -77.4 | -174.6 | 166.6 | 0 | 0 | 109.6 | ||||
| 27 | P | 59.1 | Low | 45.9 | Very low | 99 Ų | 99 | 168.7 Ų | 168.7 | 64% | 0.643 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 151.7 | -178.8 | 31.5 | -32.8 | 0 | 0 | 0 | 111.9 | ||
| 28 | P | 60 | Low | 45.8 | Very low | 119 Ų | 119 | 172.1 Ų | 172.1 | 77% | 0.773 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 144.6 | -174.9 | 29.8 | -32.9 | 0 | 0 | 0 | 113 | ||
| 29 | V | 53.7 | Low | 45.3 | Very low | 133 Ų | 133 | 173.7 Ų | 173.7 | 81% | 0.806 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 135.4 | -179.7 | -172.6 | 0 | 0 | 0 | 0 | 110.9 | T31 | V29-T31 PolarHBondContact O-N 3.26Š|
| 30 | P | 44.4 | Very low | 45.1 | Very low | 121 Ų | 121 | 171 Ų | 171 | 79% | 0.786 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 117.1 | 178.3 | 31.6 | -30.1 | 0 | 0 | 0 | 110.9 | ||
| 31 | T | 44.8 | Very low | 44.8 | Very low | 143 Ų | 143 | 172.9 Ų | 172.9 | 88% | 0.877 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 131.3 | 171.4 | 39 | 0 | 0 | 0 | 0 | 111.7 | V29 | V29-T31 PolarHBondContact O-N 3.26Š|
| 32 | R | 37.7 | Very low | 44.6 | Very low | 245 Ų | 245 | 167.1 Ų | 167.1 | 93% | 0.925 | 84% | 0.838 | S | S | * | * | trans | -110.4 | 106.7 | -174.9 | -162 | -168.4 | -159.4 | -161.3 | 7 | 109.7 | ||||
| 33 | V | 42.9 | Very low | 44.3 | Very low | 149 Ų | 149 | 162.7 Ų | 162.7 | 90% | 0.903 | 83% | 0.831 | S | S | * | * | trans | -150.6 | 124.2 | 167.1 | -167.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 34 | G | 42.3 | Very low | 44.2 | Very low | 74 Ų | 74 | 160 Ų | 160 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | trans | 98.4 | 92.8 | 131.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 35 | K | 36.9 | Very low | 44.4 | Very low | 208 Ų | 208 | 155 Ų | 155 | 90% | 0.904 | 82% | 0.821 | S | S | * | * | trans | -40.8 | 144.6 | 165 | -67.5 | 167.5 | 174.1 | 172.6 | 0 | 116.8 | ||||
| 36 | K | 41.8 | Very low | 43.8 | Very low | 214 Ų | 214 | 150.4 Ų | 150.4 | 93% | 0.93 | 82% | 0.824 | S | S | * | * | -161.4 | 127.9 | 125.6 | -108.2 | 174.2 | -174.2 | 178.9 | 0 | 112.8 | |||||
| 37 | K | 33.8 | Very low | 43.7 | Very low | 210 Ų | 210 | 148 Ų | 148 | 91% | 0.913 | 83% | 0.825 | S | S | * | * | trans | -76.7 | 144 | 178.6 | -78 | 177.1 | 169.1 | 179.5 | 0 | 112.1 | ||||
| 38 | K | 39.6 | Very low | 42.8 | Very low | 216 Ų | 216 | 151.9 Ų | 151.9 | 94% | 0.939 | 83% | 0.832 | S | S | * | * | trans | -143.5 | 142 | 146.2 | -121.8 | 179.9 | -179.1 | -178.5 | 0 | 110.1 | ||||
| 39 | K | 34.7 | Very low | 42.1 | Very low | 198 Ų | 198 | 154.1 Ų | 154.1 | 86% | 0.861 | 84% | 0.837 | S | S | * | * | trans | -83.4 | 163.4 | -161.4 | -66 | 174.1 | 169 | 179.7 | 0 | 113.7 | ||||
| 40 | T | 38.1 | Very low | 41.4 | Very low | 129 Ų | 129 | 152.6 Ų | 152.6 | 79% | 0.791 | 83% | 0.829 | S | S | * | * | trans | 106.7 | 95.5 | 137.6 | -18 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 41 | K | 40.4 | Very low | 41.6 | Very low | 213 Ų | 213 | 154.6 Ų | 154.6 | 93% | 0.926 | 83% | 0.832 | S | S | * | * | 174.1 | 144.8 | 122.2 | -96.4 | -179.5 | 174.9 | -176.6 | 0 | 110 | |||||
| 42 | G | 44.3 | Very low | 41.4 | Very low | 64 Ų | 64 | 151.9 Ų | 151.9 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | trans | -72.9 | -177.8 | -161.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | D44 | G42-D44 PolarHBondContact O-N 3.02Š| ||
| 43 | P | 40.5 | Very low | 41.7 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -95 | 83.9 | -152.6 | 37.4 | -32.7 | 0 | 0 | 0 | 113.2 | A45 | P43-A45 PolarHBondContact O-N 3.15Š| ||
| 44 | D | 44.9 | Very low | 42.1 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 16.5 | 165.7 | -74.2 | -34.1 | 0 | 0 | 0 | 112.8 | G42 | G42-D44 PolarHBondContact O-N 3.02Š|
| 45 | A | 44.1 | Very low | 42.8 | Very low | 83 Ų | 83 | 144 Ų | 144 | 69% | 0.686 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 3.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P43 S47 | P43-A45 PolarHBondContact O-N 3.15Å; A45-S47 VanDerWaalsContact C-N 3.31Å; A45-S47 PolarHBondContact O-N 2.78Å |
| 46 | A | 45.4 | Very low | 43.9 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -6.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 47 | S | 47.8 | Very low | 45 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | 9.1 | -178 | 39.1 | 0 | 0 | 0 | 0 | 114.3 | A45 | A45-S47 VanDerWaalsContact C-N 3.31Å; A45-S47 PolarHBondContact O-N 2.78Å |
| 48 | K | 41.7 | Very low | 46.8 | Very low | 180 Ų | 180 | 129 Ų | 129 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -101.6 | 104.9 | 168.3 | -84.5 | -177.6 | 176.5 | 178.4 | 0 | 109.9 | ||
| 49 | L | 43.7 | Very low | 48.5 | Very low | 167 Ų | 167 | 127 Ų | 127 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | trans | -50.3 | 129.4 | 167.2 | -74.4 | 160.6 | 0 | 0 | 0 | 108.9 | ||||
| 50 | P | 40.5 | Very low | 50.6 | Low | 100 Ų | 100 | 123.3 Ų | 123.3 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | trans | -62.1 | 142.3 | 179.1 | 24.5 | -31.9 | 0 | 0 | 0 | 110.3 | V52 | P50-V52 HydrophobicContact CG-CG2 4.35Å; P50-V52 WeakPolarHBondContact O-CG2 3.4Å; P50-V52 PolarHBondContact O-N 3.48Å | ||
| 51 | L | 47.2 | Very low | 52.9 | Low | 163 Ų | 163 | 124.1 Ų | 124.1 | 85% | 0.853 | 69% | 0.693 | S | S | * | * | trans | -66 | 94.7 | 170.2 | -136.6 | 95.9 | 0 | 0 | 0 | 107.9 | T53 | L51-T53 VanDerWaalsContact C-N 3.35Å; L51-T53 PolarHBondContact O-N 3.19Å | ||
| 52 | V | 40.7 | Very low | 54.9 | Low | 86 Ų | 86 | 118.3 Ų | 118.3 | 52% | 0.521 | 67% | 0.671 | S | S | . | * | trans | -79 | 85.1 | -178.5 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | P50 C58 | P50-V52 HydrophobicContact CG-CG2 4.35Å; P50-V52 WeakPolarHBondContact O-CG2 3.4Å; P50-V52 PolarHBondContact O-N 3.48Å; V52-C58 VanDerWaalsContact CG1-SG 3.56Å | ||
| 53 | T | 45.6 | Very low | 56.8 | Low | 103 Ų | 103 | 119.2 Ų | 119.2 | 63% | 0.632 | 66% | 0.661 | S | S | * | * | trans | -92.2 | 98 | 157.6 | 48.5 | 0 | 0 | 0 | 0 | 107.5 | L51 | L51-T53 VanDerWaalsContact C-N 3.35Å; L51-T53 PolarHBondContact O-N 3.19Å | ||
| 54 | P | 51.2 | Low | 58.8 | Low | 53 Ų | 53 | 119.9 Ų | 119.9 | 34% | 0.344 | 65% | 0.652 | S | S | . | * | -134.5 | 105.7 | 88.6 | 29.7 | -12 | 0 | 0 | 0 | 110.8 | T56 Q57 C58 | P54-T56 PolarHBondContact O-N 3.33Å; P54-Q57 HydrophobicContact CG-CB 4.21Å; P54-Q57 HydrophobicContact CG-CG 4.25Å; P54-Q57 PolarHBondContact O-N 3.27Å; P54-C58 PolarHBondContact O-N 3.1Å | |||
| 55 | H | 56.7 | Low | 60.9 | Low | 146 Ų | 146 | 117.4 Ų | 117.4 | 68% | 0.676 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -51.3 | -25.9 | 179.3 | -71.6 | -70.3 | 0 | 0 | 0 | 113.2 | R59 | H55-R59 WeakPolarHBondContact O-CA 3.16Å; H55-R59 WeakPolarHBondContact O-CB 3.45Å; H55-R59 PolarHBondContact O-N 3.34Å |
| 56 | T | 60 | Low | 63 | Low | 111 Ų | 111 | 117.6 Ų | 117.6 | 68% | 0.681 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.9 | -39.9 | 177.6 | 46.8 | 0 | 0 | 0 | 0 | 113.7 | P54 L60 | P54-T56 PolarHBondContact O-N 3.33Å; T56-L60 WeakPolarHBondContact O-CB 3.45Å; T56-L60 PolarHBondContact O-N 3.11Å |
| 57 | Q | 64.8 | Low | 65 | Low | 142 Ų | 142 | 120 Ų | 120 | 66% | 0.664 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76.6 | -39.8 | 179.7 | -68.4 | -171 | -5.5 | 0 | 0 | 112 | P54 L60 K61 | P54-Q57 HydrophobicContact CG-CB 4.21Å; P54-Q57 HydrophobicContact CG-CG 4.25Å; P54-Q57 PolarHBondContact O-N 3.27Å; Q57-L60 PolarHBondContact O-N 3.39Å; Q57-K61 WeakPolarHBondContact O-CB 3.42Å; Q57-K61 PolarHBondContact O-N 2.92Å |
| 58 | C | 71 | Confident | 67 | Low | 64 Ų | 64 | 118.4 Ų | 118.4 | 43% | 0.432 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.8 | -42.6 | 175.6 | -64.3 | 0 | 0 | 0 | 0 | 111.5 | V52 P54 K61 L62 | V52-C58 VanDerWaalsContact CG1-SG 3.56Å; P54-C58 PolarHBondContact O-N 3.1Å; C58-K61 PolarHBondContact O-N 3.21Å; C58-L62 WeakPolarHBondContact O-CB 3.48Å; C58-L62 PolarHBondContact O-N 3.36Å |
| 59 | R | 74.4 | Confident | 69.4 | Low | 174 Ų | 174 | 116.2 Ų | 116.2 | 66% | 0.657 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.2 | -38.6 | 174.2 | -172.2 | 175.4 | -178 | 177.1 | 1.1 | 111.7 | H55 K61 L62 L63 | H55-R59 WeakPolarHBondContact O-CA 3.16Å; H55-R59 WeakPolarHBondContact O-CB 3.45Å; H55-R59 PolarHBondContact O-N 3.34Å; R59-K61 VanDerWaalsContact C-N 3.33Å; R59-K61 PolarHBondContact O-N 3.12Å; R59-L62 PolarHBondContact O-N 3.33Å; R59-L63 HydrophobicContact CG-CD1 4.02Å; R59-L63 HydrophobicContact CG-CG 4.28Å; R59-L63 VanDerWaalsContact O-CB 3.32Å; R59-L63 WeakPolarHBondContact O-CB 3.42Å; R59-L63 VanDerWaalsContact O-CG 3.26Å; R59-L63 WeakPolarHBondContact O-CG 3.38Å; R59-L63 PolarHBondContact O-N 3.48Å |
| 60 | L | 79.2 | Confident | 71.6 | Confident | 121 Ų | 121 | 112.7 Ų | 112.7 | 63% | 0.634 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.9 | -39.1 | 174 | -174.2 | 70.6 | 0 | 0 | 0 | 111.6 | T56 Q57 K64 | T56-L60 WeakPolarHBondContact O-CB 3.45Å; T56-L60 PolarHBondContact O-N 3.11Å; Q57-L60 PolarHBondContact O-N 3.39Å; L60-K64 WeakPolarHBondContact O-CB 3.47Å; L60-K64 PolarHBondContact O-N 2.92Å |
| 61 | K | 86.1 | Confident | 74.1 | Confident | 147 Ų | 147 | 115 Ų | 115 | 64% | 0.639 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.8 | -46.3 | 174.7 | -174.2 | -178.7 | 178.5 | -175.1 | 0 | 111.4 | Q57 C58 R59 K64 L65 | Q57-K61 WeakPolarHBondContact O-CB 3.42Å; Q57-K61 PolarHBondContact O-N 2.92Å; C58-K61 PolarHBondContact O-N 3.21Å; R59-K61 VanDerWaalsContact C-N 3.33Å; R59-K61 PolarHBondContact O-N 3.12Å; K61-K64 PolarHBondContact O-N 3.29Å; K61-L65 HydrophobicContact CG-CD1 4.29Å; K61-L65 WeakPolarHBondContact O-CG 3.49Å; K61-L65 PolarHBondContact O-N 2.79Å |
| 62 | L | 84 | Confident | 76.2 | Confident | 90 Ų | 90 | 111.9 Ų | 111.9 | 47% | 0.471 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.8 | -53.1 | 176.5 | 178.7 | 133.3 | 0 | 0 | 0 | 111.1 | C58 R59 K64 L65 E66 | C58-L62 WeakPolarHBondContact O-CB 3.48Å; C58-L62 PolarHBondContact O-N 3.36Å; R59-L62 PolarHBondContact O-N 3.33Å; L62-K64 VanDerWaalsContact C-N 3.25Å; L62-K64 PolarHBondContact O-N 2.97Å; L62-L65 PolarHBondContact O-N 2.92Å; L62-E66 VanDerWaalsContact CD2-CD 3.42Å; L62-E66 HydrophobicContact CD2-CG 4.45Å; L62-E66 VanDerWaalsContact CD2-OE1 3.28Å; L62-E66 WeakPolarHBondContact CD2-OE1 3.16Å; L62-E66 VanDerWaalsContact CD2-OE2 3.24Å; L62-E66 WeakPolarHBondContact CD2-OE2 3.2Å; L62-E66 HydrophobicContact CG-CG 4.36Å; L62-E66 WeakPolarHBondContact O-CB 3.29Å; L62-E66 WeakPolarHBondContact O-CG 3.35Å; L62-E66 PolarHBondContact O-N 3.25Å |
| 63 | L | 83.3 | Confident | 78.7 | Confident | 84 Ų | 84 | 112 Ų | 112 | 44% | 0.44 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.6 | -35.4 | 176.3 | -72.8 | 172.7 | 0 | 0 | 0 | 112.6 | R59 R67 | R59-L63 HydrophobicContact CG-CD1 4.02Å; R59-L63 HydrophobicContact CG-CG 4.28Å; R59-L63 VanDerWaalsContact O-CB 3.32Å; R59-L63 WeakPolarHBondContact O-CB 3.42Å; R59-L63 VanDerWaalsContact O-CG 3.26Å; R59-L63 WeakPolarHBondContact O-CG 3.38Å; R59-L63 PolarHBondContact O-N 3.48Å; L63-R67 WeakPolarHBondContact O-CB 3.45Å; L63-R67 PolarHBondContact O-N 3.05Å |
| 64 | K | 83.6 | Confident | 80.8 | Confident | 131 Ų | 131 | 113 Ų | 113 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.4 | -42 | 176.1 | -174.3 | 178.4 | 179.5 | -176.8 | 0 | 111.4 | L60 K61 L62 I68 | L60-K64 WeakPolarHBondContact O-CB 3.47Å; L60-K64 PolarHBondContact O-N 2.92Å; K61-K64 PolarHBondContact O-N 3.29Å; L62-K64 VanDerWaalsContact C-N 3.25Å; L62-K64 PolarHBondContact O-N 2.97Å; K64-I68 HydrophobicContact CG-CD1 4.06Å; K64-I68 VanDerWaalsContact O-CD1 3.3Å; K64-I68 WeakPolarHBondContact O-CD1 3.48Å; K64-I68 WeakPolarHBondContact O-CG1 3.36Å; K64-I68 PolarHBondContact O-N 3.24Å |
| 65 | L | 88.3 | Confident | 82.8 | Confident | 105 Ų | 105 | 116 Ų | 116 | 55% | 0.55 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.7 | -47.5 | 178.7 | -71.3 | 171.6 | 0 | 0 | 0 | 111.7 | K61 L62 I68 K69 | K61-L65 HydrophobicContact CG-CD1 4.29Å; K61-L65 WeakPolarHBondContact O-CG 3.49Å; K61-L65 PolarHBondContact O-N 2.79Å; L62-L65 PolarHBondContact O-N 2.92Å; L65-I68 PolarHBondContact O-N 3.02Å; L65-K69 WeakPolarHBondContact O-CB 3.33Å; L65-K69 PolarHBondContact O-N 3.29Å |
| 66 | E | 88.9 | Confident | 84.5 | Confident | 87 Ų | 87 | 113.7 Ų | 113.7 | 41% | 0.407 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -57.6 | -51.2 | 176.1 | -74.1 | 175.4 | 167.8 | 0 | 0 | 110.5 | L62 I68 K69 D70 | L62-E66 VanDerWaalsContact CD2-CD 3.42Å; L62-E66 HydrophobicContact CD2-CG 4.45Å; L62-E66 VanDerWaalsContact CD2-OE1 3.28Å; L62-E66 WeakPolarHBondContact CD2-OE1 3.16Å; L62-E66 VanDerWaalsContact CD2-OE2 3.24Å; L62-E66 WeakPolarHBondContact CD2-OE2 3.2Å; L62-E66 HydrophobicContact CG-CG 4.36Å; L62-E66 WeakPolarHBondContact O-CB 3.29Å; L62-E66 WeakPolarHBondContact O-CG 3.35Å; L62-E66 PolarHBondContact O-N 3.25Å; E66-I68 VanDerWaalsContact C-N 3.31Å; E66-I68 PolarHBondContact O-N 3.45Å; E66-K69 PolarHBondContact O-N 3.05Å; E66-K69 VanDerWaalsContact O-N 3.11Å; E66-D70 WeakPolarHBondContact O-CB 2.92Å; E66-D70 PolarHBondContact O-N 3.33Å |
| 67 | R | 86.6 | Confident | 85.9 | Confident | 154 Ų | 154 | 114.3 Ų | 114.3 | 58% | 0.581 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -58.7 | -41.4 | 179.3 | -170.5 | -178.3 | 75.4 | 168.4 | 5.6 | 112.8 | L63 Y71 | L63-R67 WeakPolarHBondContact O-CB 3.45Å; L63-R67 PolarHBondContact O-N 3.05Å; R67-Y71 HydrophobicContact CG-CD2 3.53Å; R67-Y71 HydrophobicContact CG-CE2 3.26Å; R67-Y71 WeakPolarHBondContact O-CB 3.45Å; R67-Y71 WeakPolarHBondContact O-CD2 3.46Å; R67-Y71 PolarHBondContact O-N 3.23Å; R67-Y71 VanDerWaalsContact O-N 3.13Å |
| 68 | I | 90.1 | Very high | 87.1 | Confident | 78 Ų | 78 | 113.5 Ų | 113.5 | 40% | 0.4 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.2 | -45.8 | 177.3 | -69.8 | 165.7 | 0 | 0 | 0 | 110.2 | K64 L65 E66 L72 | K64-I68 HydrophobicContact CG-CD1 4.06Å; K64-I68 VanDerWaalsContact O-CD1 3.3Å; K64-I68 WeakPolarHBondContact O-CD1 3.48Å; K64-I68 WeakPolarHBondContact O-CG1 3.36Å; K64-I68 PolarHBondContact O-N 3.24Å; L65-I68 PolarHBondContact O-N 3.02Å; E66-I68 VanDerWaalsContact C-N 3.31Å; E66-I68 PolarHBondContact O-N 3.45Å; I68-L72 HydrophobicContact CG2-CD1 3.68Å; I68-L72 HydrophobicContact CG2-CG 4.41Å; I68-L72 WeakPolarHBondContact O-CB 3.36Å; I68-L72 WeakPolarHBondContact O-CD1 3.45Å; I68-L72 WeakPolarHBondContact O-CG 2.93Å; I68-L72 PolarHBondContact O-N 2.91Å |
| 69 | K | 91.8 | Very high | 87.9 | Confident | 135 Ų | 135 | 113.8 Ų | 113.8 | 59% | 0.587 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.1 | -48.7 | 178.8 | 177.6 | -177.8 | 173.3 | -169.3 | 0 | 111.6 | L65 E66 L72 L73 | L65-K69 WeakPolarHBondContact O-CB 3.33Å; L65-K69 PolarHBondContact O-N 3.29Å; E66-K69 PolarHBondContact O-N 3.05Å; E66-K69 VanDerWaalsContact O-N 3.11Å; K69-L72 PolarHBondContact O-N 3.25Å; K69-L73 HydrophobicContact CD-CD1 4.42Å; K69-L73 HydrophobicContact CG-CD1 3.77Å; K69-L73 WeakPolarHBondContact O-CB 3.47Å; K69-L73 PolarHBondContact O-N 3.41Å |
| 70 | D | 90.6 | Very high | 88.6 | Confident | 92 Ų | 92 | 111.9 Ų | 111.9 | 49% | 0.492 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.6 | -42.1 | -175.8 | -65.2 | -15.2 | 0 | 0 | 0 | 111.7 | E66 M74 | E66-D70 WeakPolarHBondContact O-CB 2.92Å; E66-D70 PolarHBondContact O-N 3.33Å; D70-M74 WeakPolarHBondContact O-CB 3.49Å; D70-M74 PolarHBondContact O-N 3.3Å |
| 71 | Y | 91.3 | Very high | 88.9 | Confident | 149 Ų | 149 | 110.1 Ų | 110.1 | 58% | 0.584 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.2 | -39.7 | 175.3 | -77.1 | -55.1 | 0 | 0 | 0 | 112.5 | R67 M74 E75 | R67-Y71 HydrophobicContact CG-CD2 3.53Å; R67-Y71 HydrophobicContact CG-CE2 3.26Å; R67-Y71 WeakPolarHBondContact O-CB 3.45Å; R67-Y71 WeakPolarHBondContact O-CD2 3.46Å; R67-Y71 PolarHBondContact O-N 3.23Å; R67-Y71 VanDerWaalsContact O-N 3.13Å; Y71-M74 PolarHBondContact O-N 3.43Å; Y71-E75 WeakPolarHBondContact O-CB 3.44Å; Y71-E75 PolarHBondContact O-N 3.43Å |
| 72 | L | 92.9 | Very high | 88.7 | Confident | 98 Ų | 98 | 108.2 Ų | 108.2 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 176.5 | -76.3 | 170.3 | 0 | 0 | 0 | 111.7 | I68 K69 E75 E76 | I68-L72 HydrophobicContact CG2-CD1 3.68Å; I68-L72 HydrophobicContact CG2-CG 4.41Å; I68-L72 WeakPolarHBondContact O-CB 3.36Å; I68-L72 WeakPolarHBondContact O-CD1 3.45Å; I68-L72 WeakPolarHBondContact O-CG 2.93Å; I68-L72 PolarHBondContact O-N 2.91Å; K69-L72 PolarHBondContact O-N 3.25Å; L72-E75 PolarHBondContact O-N 3.27Å; L72-E76 VanDerWaalsContact O-CB 3.28Å; L72-E76 WeakPolarHBondContact O-CB 3.43Å; L72-E76 PolarHBondContact O-N 3.39Å |
| 73 | L | 93.2 | Very high | 88.6 | Confident | 89 Ų | 89 | 108.8 Ų | 108.8 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 175.4 | -87.7 | 155.9 | 0 | 0 | 0 | 111.8 | K69 E75 E76 E77 | K69-L73 HydrophobicContact CD-CD1 4.42Å; K69-L73 HydrophobicContact CG-CD1 3.77Å; K69-L73 WeakPolarHBondContact O-CB 3.47Å; K69-L73 PolarHBondContact O-N 3.41Å; L73-E75 PolarHBondContact O-N 3.36Å; L73-E76 PolarHBondContact O-N 2.9Å; L73-E77 WeakPolarHBondContact O-CB 3.44Å; L73-E77 PolarHBondContact O-N 3.45Å |
| 74 | M | 89.1 | Confident | 88.1 | Confident | 124 Ų | 124 | 110.9 Ų | 110.9 | 61% | 0.611 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.4 | -42.5 | 177.4 | -176.3 | -175 | -64.6 | 0 | 0 | 112 | D70 Y71 F78 | D70-M74 WeakPolarHBondContact O-CB 3.49Å; D70-M74 PolarHBondContact O-N 3.3Å; Y71-M74 PolarHBondContact O-N 3.43Å; M74-F78 WeakPolarHBondContact O-CB 3.47Å; M74-F78 PolarHBondContact O-N 3.12Å |
| 75 | E | 92 | Very high | 87.2 | Confident | 116 Ų | 116 | 112.5 Ų | 112.5 | 54% | 0.542 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.7 | -42.7 | 176.8 | -172.1 | 175.7 | -166.4 | 0 | 0 | 111.5 | Y71 L72 L73 F78 I79 | Y71-E75 WeakPolarHBondContact O-CB 3.44Å; Y71-E75 PolarHBondContact O-N 3.43Å; L72-E75 PolarHBondContact O-N 3.27Å; L73-E75 PolarHBondContact O-N 3.36Å; E75-F78 PolarHBondContact O-N 2.88Å; E75-I79 HydrophobicContact CG-CD1 3.96Å; E75-I79 VanDerWaalsContact O-CG1 3.29Å; E75-I79 WeakPolarHBondContact O-CG1 3.3Å; E75-I79 PolarHBondContact O-N 3.04Å |
| 76 | E | 92.3 | Very high | 86.2 | Confident | 96 Ų | 96 | 113.4 Ų | 113.4 | 45% | 0.449 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 176.8 | -170.9 | -174.5 | 164.7 | 0 | 0 | 111.6 | L72 L73 F78 I79 R80 | L72-E76 VanDerWaalsContact O-CB 3.28Å; L72-E76 WeakPolarHBondContact O-CB 3.43Å; L72-E76 PolarHBondContact O-N 3.39Å; L73-E76 PolarHBondContact O-N 2.9Å; E76-F78 VanDerWaalsContact C-N 3.34Å; E76-F78 PolarHBondContact O-N 2.96Å; E76-I79 PolarHBondContact O-N 3.27Å; E76-R80 WeakPolarHBondContact O-CB 3.16Å; E76-R80 PolarHBondContact O-N 3.39Å; E76-R80 IonicContact OE1-CZ 2.93Å; E76-R80 IonicContact OE1-NH2 3.7Å; E76-R80 PolarHBondContact OE1-NH2 3.42Å |
| 77 | E | 90.1 | Very high | 84.9 | Confident | 125 Ų | 125 | 115.1 Ų | 115.1 | 58% | 0.584 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.7 | -40.9 | 177.2 | -171 | 175.9 | -174.8 | 0 | 0 | 111.5 | L73 R80 N81 | L73-E77 WeakPolarHBondContact O-CB 3.44Å; L73-E77 PolarHBondContact O-N 3.45Å; E77-R80 PolarHBondContact O-N 3.32Å; E77-N81 WeakPolarHBondContact O-CB 3.44Å; E77-N81 VanDerWaalsContact O-CG 3.24Å; E77-N81 PolarHBondContact O-N 3.41Å; E77-N81 PolarHBondContact O-ND2 2.96Å |
| 78 | F | 90 | Very high | 83.7 | Confident | 125 Ų | 125 | 112.1 Ų | 112.1 | 55% | 0.548 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63 | -46.5 | 175.5 | -178 | -97.9 | 0 | 0 | 0 | 112.3 | M74 E75 E76 N81 Q82 | M74-F78 WeakPolarHBondContact O-CB 3.47Å; M74-F78 PolarHBondContact O-N 3.12Å; E75-F78 PolarHBondContact O-N 2.88Å; E76-F78 VanDerWaalsContact C-N 3.34Å; E76-F78 PolarHBondContact O-N 2.96Å; F78-N81 PolarHBondContact O-N 3.03Å; F78-Q82 HydrophobicContact CE1-CG 4.28Å; F78-Q82 HydrophobicContact CZ-CG 4.47Å; F78-Q82 PolarHBondContact O-N 2.87Å |
| 79 | I | 89.2 | Confident | 82.5 | Confident | 70 Ų | 70 | 115 Ų | 115 | 36% | 0.359 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 176.6 | -68 | 168.1 | 0 | 0 | 0 | 110 | E75 E76 N81 Q82 E83 | E75-I79 HydrophobicContact CG-CD1 3.96Å; E75-I79 VanDerWaalsContact O-CG1 3.29Å; E75-I79 WeakPolarHBondContact O-CG1 3.3Å; E75-I79 PolarHBondContact O-N 3.04Å; E76-I79 PolarHBondContact O-N 3.27Å; I79-N81 VanDerWaalsContact C-N 3.31Å; I79-N81 PolarHBondContact O-N 2.65Å; I79-Q82 CarbonylContact O-C 3.59Å; I79-Q82 WeakPolarHBondContact O-CB 3.5Å; I79-Q82 PolarHBondContact O-N 3.09Å; I79-E83 HydrophobicContact CG2-CG 4.07Å; I79-E83 WeakPolarHBondContact O-CB 3.3Å; I79-E83 WeakPolarHBondContact O-CG 3.4Å; I79-E83 PolarHBondContact O-N 3.42Å |
| 80 | R | 87.7 | Confident | 81.2 | Confident | 134 Ų | 134 | 116.1 Ų | 116.1 | 51% | 0.506 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.1 | -42.6 | 179 | -167.1 | -177.8 | -67 | -176.9 | -0.5 | 111.5 | E76 E77 E83 Q84 | E76-R80 WeakPolarHBondContact O-CB 3.16Å; E76-R80 PolarHBondContact O-N 3.39Å; E76-R80 IonicContact OE1-CZ 2.93Å; E76-R80 IonicContact OE1-NH2 3.7Å; E76-R80 PolarHBondContact OE1-NH2 3.42Å; E77-R80 PolarHBondContact O-N 3.32Å; R80-E83 PolarHBondContact O-N 3.09Å; R80-Q84 WeakPolarHBondContact O-CB 3.13Å; R80-Q84 WeakPolarHBondContact O-CG 3.29Å; R80-Q84 PolarHBondContact O-N 3.28Å |
| 81 | N | 86 | Confident | 80.2 | Confident | 83 Ų | 83 | 118 Ų | 118 | 44% | 0.444 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.3 | -39.8 | 174.3 | -72.2 | -22.4 | 0 | 0 | 0 | 112 | E77 F78 I79 M85 | E77-N81 WeakPolarHBondContact O-CB 3.44Å; E77-N81 VanDerWaalsContact O-CG 3.24Å; E77-N81 PolarHBondContact O-N 3.41Å; E77-N81 PolarHBondContact O-ND2 2.96Å; F78-N81 PolarHBondContact O-N 3.03Å; I79-N81 VanDerWaalsContact C-N 3.31Å; I79-N81 PolarHBondContact O-N 2.65Å; N81-M85 VanDerWaalsContact O-CG 3.24Å; N81-M85 WeakPolarHBondContact O-CG 3.29Å; N81-M85 PolarHBondContact O-N 3.45Å |
| 82 | Q | 82.1 | Confident | 79.4 | Confident | 108 Ų | 108 | 115.4 Ų | 115.4 | 51% | 0.505 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68 | -36.4 | 174.2 | -74 | -166.6 | -7.3 | 0 | 0 | 113.1 | F78 I79 M85 K86 | F78-Q82 HydrophobicContact CE1-CG 4.28Å; F78-Q82 HydrophobicContact CZ-CG 4.47Å; F78-Q82 PolarHBondContact O-N 2.87Å; I79-Q82 CarbonylContact O-C 3.59Å; I79-Q82 WeakPolarHBondContact O-CB 3.5Å; I79-Q82 PolarHBondContact O-N 3.09Å; Q82-M85 CarbonylContact O-C 3.51Å; Q82-M85 PolarHBondContact O-N 3.43Å; Q82-K86 PolarHBondContact O-N 3.13Å |
| 83 | E | 81.1 | Confident | 78.5 | Confident | 102 Ų | 102 | 117.2 Ų | 117.2 | 48% | 0.477 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -72.7 | -36.2 | 178.8 | -73 | -171.7 | 154.4 | 0 | 0 | 112.5 | I79 R80 M85 K86 | I79-E83 HydrophobicContact CG2-CG 4.07Å; I79-E83 WeakPolarHBondContact O-CB 3.3Å; I79-E83 WeakPolarHBondContact O-CG 3.4Å; I79-E83 PolarHBondContact O-N 3.42Å; R80-E83 PolarHBondContact O-N 3.09Å; E83-M85 PolarHBondContact O-N 2.99Å; E83-K86 HydrophobicContact CG-CD 4.37Å; E83-K86 WeakPolarHBondContact O-CB 3.41Å; E83-K86 PolarHBondContact O-N 3.4Å; E83-K86 VanDerWaalsContact O-N 3.09Å; E83-K86 IonicContact OE1-NZ 3.45Å |
| 84 | Q | 72.6 | Confident | 77.8 | Confident | 128 Ų | 128 | 118.1 Ų | 118.1 | 60% | 0.598 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.8 | -27.3 | 170 | -74.6 | -178.6 | 2.1 | 0 | 0 | 112.6 | R80 | R80-Q84 WeakPolarHBondContact O-CB 3.13Å; R80-Q84 WeakPolarHBondContact O-CG 3.29Å; R80-Q84 PolarHBondContact O-N 3.28Å |
| 85 | M | 65.2 | Low | 77.4 | Confident | 165 Ų | 165 | 116.9 Ų | 116.9 | 81% | 0.813 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -12 | 173.8 | -66.6 | -65.1 | -65.2 | 0 | 0 | 113.3 | N81 Q82 E83 | N81-M85 VanDerWaalsContact O-CG 3.24Å; N81-M85 WeakPolarHBondContact O-CG 3.29Å; N81-M85 PolarHBondContact O-N 3.45Å; Q82-M85 CarbonylContact O-C 3.51Å; Q82-M85 PolarHBondContact O-N 3.43Å; E83-M85 PolarHBondContact O-N 2.99Å |
| 86 | K | 68.2 | Low | 76.8 | Confident | 123 Ų | 123 | 120 Ų | 120 | 54% | 0.535 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -63.3 | 145 | 165.6 | -71.8 | 175.6 | -175.6 | 164.3 | 0 | 106.8 | Q82 E83 L88 | Q82-K86 PolarHBondContact O-N 3.13Å; E83-K86 HydrophobicContact CG-CD 4.37Å; E83-K86 WeakPolarHBondContact O-CB 3.41Å; E83-K86 PolarHBondContact O-N 3.4Å; E83-K86 VanDerWaalsContact O-N 3.09Å; E83-K86 IonicContact OE1-NZ 3.45Å; K86-L88 VanDerWaalsContact C-N 3.31Å; K86-L88 PolarHBondContact O-N 3.01Å |
| 87 | P | 61.8 | Low | 76.3 | Confident | 124 Ų | 124 | 118.4 Ų | 118.4 | 81% | 0.805 | 56% | 0.561 | S | S | * | * | trans | -62.6 | 94.3 | -172.7 | 5.7 | -1.9 | 0 | 0 | 0 | 109.7 | E89 | P87-E89 PolarHBondContact O-N 3.48Š| ||
| 88 | L | 60.9 | Low | 75.9 | Confident | 91 Ų | 91 | 118.1 Ų | 118.1 | 48% | 0.476 | 56% | 0.557 | S | S | . | * | trans | -62.7 | 124.3 | 154.6 | -100.3 | 101 | 0 | 0 | 0 | 105.1 | K86 | K86-L88 VanDerWaalsContact C-N 3.31Å; K86-L88 PolarHBondContact O-N 3.01Å | ||
| 89 | E | 64 | Low | 75.4 | Confident | 137 Ų | 137 | 114.1 Ų | 114.1 | 64% | 0.64 | 54% | 0.543 | S | S | * | . | trans | -5.2 | 124.2 | 179.6 | -61.7 | 178.5 | 163.1 | 0 | 0 | 114.4 | P87 K91 Q92 | P87-E89 PolarHBondContact O-N 3.48Å; E89-K91 HydrophobicContact CB-CB 4.42Å; E89-K91 CarbonylContact O-C 3.6Å; E89-K91 PolarHBondContact O-N 3.06Å; E89-Q92 PolarHBondContact O-N 3.38Å | ||
| 90 | E | 65.9 | Low | 75.1 | Confident | 160 Ų | 160 | 114.5 Ų | 114.5 | 75% | 0.748 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -39.7 | -31.3 | 174.5 | -66.8 | 174.7 | 156.9 | 0 | 0 | 112.8 | E93 E94 | E90-E93 PolarHBondContact O-N 3.01Å; E90-E94 WeakPolarHBondContact O-CB 3.19Å; E90-E94 VanDerWaalsContact O-CG 3.3Å; E90-E94 WeakPolarHBondContact O-CG 3.11Å; E90-E94 PolarHBondContact O-N 2.97Å |
| 91 | K | 69.1 | Low | 74.8 | Confident | 131 Ų | 131 | 114.3 Ų | 114.3 | 57% | 0.57 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -58 | -43.4 | 173 | -165.3 | 179.3 | 176.9 | -170.1 | 0 | 115.5 | E89 E94 E95 | E89-K91 HydrophobicContact CB-CB 4.42Å; E89-K91 CarbonylContact O-C 3.6Å; E89-K91 PolarHBondContact O-N 3.06Å; K91-E94 PolarHBondContact O-N 2.95Å; K91-E95 WeakPolarHBondContact CE-OE1 3.34Å; K91-E95 WeakPolarHBondContact O-CB 3.5Å; K91-E95 VanDerWaalsContact O-CG 3.31Å; K91-E95 WeakPolarHBondContact O-CG 3.11Å; K91-E95 PolarHBondContact O-N 2.63Å |
| 92 | Q | 74.2 | Confident | 74.5 | Confident | 94 Ų | 94 | 114.7 Ų | 114.7 | 44% | 0.439 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -72 | -35.9 | 177.6 | -72.9 | -170.4 | 7 | 0 | 0 | 111.8 | E89 E95 R96 | E89-Q92 PolarHBondContact O-N 3.38Å; Q92-E95 PolarHBondContact O-N 3.08Å; Q92-R96 VanDerWaalsContact O-CB 3.25Å; Q92-R96 WeakPolarHBondContact O-CB 3.41Å; Q92-R96 PolarHBondContact O-N 3.43Å |
| 93 | E | 74.5 | Confident | 74.3 | Confident | 137 Ų | 137 | 114.6 Ų | 114.6 | 64% | 0.64 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.9 | -40.6 | 174.2 | -167.3 | 167 | -163.5 | 0 | 0 | 110.8 | E90 R96 S97 | E90-E93 PolarHBondContact O-N 3.01Å; E93-R96 PolarHBondContact O-N 3.32Å; E93-S97 VanDerWaalsContact O-CB 3.26Å; E93-S97 WeakPolarHBondContact O-CB 3.14Å; E93-S97 PolarHBondContact O-N 2.68Å |
| 94 | E | 78.8 | Confident | 74.1 | Confident | 107 Ų | 107 | 110.5 Ų | 110.5 | 50% | 0.5 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 171 | -79.4 | -176 | -166 | 0 | 0 | 112.7 | E90 K91 S97 K98 | E90-E94 WeakPolarHBondContact O-CB 3.19Å; E90-E94 VanDerWaalsContact O-CG 3.3Å; E90-E94 WeakPolarHBondContact O-CG 3.11Å; E90-E94 PolarHBondContact O-N 2.97Å; K91-E94 PolarHBondContact O-N 2.95Å; E94-S97 PolarHBondContact O-N 2.75Å; E94-K98 WeakPolarHBondContact O-CB 3.41Å; E94-K98 VanDerWaalsContact O-CG 3.26Å; E94-K98 WeakPolarHBondContact O-CG 3.39Å; E94-K98 PolarHBondContact O-N 3.38Å; E94-K98 IonicContact OE2-NZ 3.55Å |
| 95 | E | 80.5 | Confident | 74.6 | Confident | 99 Ų | 99 | 110.7 Ų | 110.7 | 46% | 0.463 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 177 | -78 | 174.7 | -172.2 | 0 | 0 | 111.3 | K91 Q92 K98 V99 | K91-E95 WeakPolarHBondContact CE-OE1 3.34Å; K91-E95 WeakPolarHBondContact O-CB 3.5Å; K91-E95 VanDerWaalsContact O-CG 3.31Å; K91-E95 WeakPolarHBondContact O-CG 3.11Å; K91-E95 PolarHBondContact O-N 2.63Å; Q92-E95 PolarHBondContact O-N 3.08Å; E95-K98 PolarHBondContact O-N 3.25Å; E95-V99 WeakPolarHBondContact O-CG2 3.35Å; E95-V99 PolarHBondContact O-N 3.2Å |
| 96 | R | 79.1 | Confident | 75.5 | Confident | 181 Ų | 181 | 107 Ų | 107 | 68% | 0.683 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.4 | -43.7 | 176.3 | -173.7 | 176.8 | 179.6 | 179.1 | 2.7 | 111.9 | Q92 E93 V99 D100 | Q92-R96 VanDerWaalsContact O-CB 3.25Å; Q92-R96 WeakPolarHBondContact O-CB 3.41Å; Q92-R96 PolarHBondContact O-N 3.43Å; E93-R96 PolarHBondContact O-N 3.32Å; R96-V99 PolarHBondContact O-N 3.45Å; R96-D100 WeakPolarHBondContact O-CB 3.39Å; R96-D100 PolarHBondContact O-N 3.41Å |
| 97 | S | 82 | Confident | 76.3 | Confident | 63 Ų | 63 | 104.4 Ų | 104.4 | 44% | 0.441 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 175.4 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | E93 E94 V99 D100 D101 | E93-S97 VanDerWaalsContact O-CB 3.26Å; E93-S97 WeakPolarHBondContact O-CB 3.14Å; E93-S97 PolarHBondContact O-N 2.68Å; E94-S97 PolarHBondContact O-N 2.75Å; S97-V99 VanDerWaalsContact C-N 3.32Å; S97-V99 PolarHBondContact O-N 3.38Å; S97-D100 PolarHBondContact O-N 3.3Å; S97-D101 WeakPolarHBondContact O-CB 3.43Å; S97-D101 PolarHBondContact O-N 3.13Å |
| 98 | K | 81.9 | Confident | 77.4 | Confident | 119 Ų | 119 | 101 Ų | 101 | 52% | 0.517 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 175 | -73 | 166.3 | -172.1 | 158.6 | 0 | 112.4 | E94 E95 L102 | E94-K98 WeakPolarHBondContact O-CB 3.41Å; E94-K98 VanDerWaalsContact O-CG 3.26Å; E94-K98 WeakPolarHBondContact O-CG 3.39Å; E94-K98 PolarHBondContact O-N 3.38Å; E94-K98 IonicContact OE2-NZ 3.55Å; E95-K98 PolarHBondContact O-N 3.25Å; K98-L102 VanDerWaalsContact O-CG 3.31Å; K98-L102 WeakPolarHBondContact O-CG 3.48Å; K98-L102 PolarHBondContact O-N 2.88Å; K98-L102 VanDerWaalsContact O-N 3.15Å |
| 99 | V | 79.6 | Confident | 78.7 | Confident | 41 Ų | 41 | 100 Ų | 100 | 25% | 0.248 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -64.9 | -50.8 | 175.4 | 170.6 | 0 | 0 | 0 | 0 | 109.8 | E95 R96 S97 D101 L102 R103 | E95-V99 WeakPolarHBondContact O-CG2 3.35Å; E95-V99 PolarHBondContact O-N 3.2Å; R96-V99 PolarHBondContact O-N 3.45Å; S97-V99 VanDerWaalsContact C-N 3.32Å; S97-V99 PolarHBondContact O-N 3.38Å; V99-D101 VanDerWaalsContact C-N 3.27Å; V99-D101 PolarHBondContact O-N 3.26Å; V99-L102 CarbonylContact O-C 3.45Å; V99-L102 WeakPolarHBondContact O-CA 3.39Å; V99-L102 WeakPolarHBondContact O-CB 3.32Å; V99-L102 PolarHBondContact O-N 3.3Å; V99-R103 HydrophobicContact CG1-CG 4.07Å; V99-R103 VanDerWaalsContact O-CG 3.27Å; V99-R103 WeakPolarHBondContact O-CG 3.41Å; V99-R103 PolarHBondContact O-N 3.46Å |
| 100 | D | 81.6 | Confident | 79.9 | Confident | 78 Ų | 78 | 93.6 Ų | 93.6 | 42% | 0.417 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.4 | -36.2 | -178.5 | -72.9 | -22.4 | 0 | 0 | 0 | 112.5 | R96 S97 R103 G104 | R96-D100 WeakPolarHBondContact O-CB 3.39Å; R96-D100 PolarHBondContact O-N 3.41Å; S97-D100 PolarHBondContact O-N 3.3Å; D100-R103 PolarHBondContact O-N 3.17Å; D100-G104 PolarHBondContact O-N 3.18Å; D100-G104 VanDerWaalsContact O-N 3.09Å |
| 101 | D | 81.6 | Confident | 81 | Confident | 129 Ų | 129 | 88.9 Ų | 88.9 | 69% | 0.69 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.1 | -42 | 171.8 | -77.3 | -21.2 | 0 | 0 | 0 | 112.4 | S97 V99 | S97-D101 WeakPolarHBondContact O-CB 3.43Å; S97-D101 PolarHBondContact O-N 3.13Å; V99-D101 VanDerWaalsContact C-N 3.27Å; V99-D101 PolarHBondContact O-N 3.26Å |
| 102 | L | 79.8 | Confident | 81.9 | Confident | 92 Ų | 92 | 82.7 Ų | 82.7 | 48% | 0.482 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -70.2 | -32.6 | 175.7 | -72 | 171.5 | 0 | 0 | 0 | 112.6 | K98 V99 F138 N153 | K98-L102 VanDerWaalsContact O-CG 3.31Å; K98-L102 WeakPolarHBondContact O-CG 3.48Å; K98-L102 PolarHBondContact O-N 2.88Å; K98-L102 VanDerWaalsContact O-N 3.15Å; V99-L102 CarbonylContact O-C 3.45Å; V99-L102 WeakPolarHBondContact O-CA 3.39Å; V99-L102 WeakPolarHBondContact O-CB 3.32Å; V99-L102 PolarHBondContact O-N 3.3Å; L102-F138 HydrophobicContact CB-CE1 4.45Å; L102-F138 HydrophobicContact CD1-CE1 4.33Å; L102-N153 PolarHBondContact O-ND2 2.91Å |
| 103 | R | 78 | Confident | 82.6 | Confident | 105 Ų | 105 | 82.6 Ų | 82.6 | 40% | 0.396 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.2 | -47.7 | 176.6 | -66.5 | -168.3 | 168.3 | 170.8 | -5 | 110 | V99 D100 M107 N153 I160 | V99-R103 HydrophobicContact CG1-CG 4.07Å; V99-R103 VanDerWaalsContact O-CG 3.27Å; V99-R103 WeakPolarHBondContact O-CG 3.41Å; V99-R103 PolarHBondContact O-N 3.46Å; D100-R103 PolarHBondContact O-N 3.17Å; R103-M107 HydrophobicContact CB-CE 4.42Å; R103-N153 PolarHBondContact O-ND2 3.21Å; R103-I160 HydrophobicContact CB-CD1 4.49Å; R103-I160 HydrophobicContact CB-CG2 4.02Å; R103-I160 HydrophobicContact CG-CG2 3.5Å; R103-I160 VanDerWaalsContact CG-CG2 3.5Å; R103-I160 WeakPolarHBondContact O-CD1 3.29Å |
| 104 | G | 76.2 | Confident | 83.4 | Confident | 17 Ų | 17 | 81.6 Ų | 81.6 | 18% | 0.175 | 42% | 0.424 | C | S | . | . | trans | 63.2 | 151.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D100 | D100-G104 PolarHBondContact O-N 3.18Å; D100-G104 VanDerWaalsContact O-N 3.09Å | ||
| 105 | T | 83.1 | Confident | 83.8 | Confident | 131 Ų | 131 | 79.6 Ų | 79.6 | 80% | 0.804 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -121.6 | 130 | 174.1 | 48.3 | 0 | 0 | 0 | 0 | 108 | H154 | T105-H154 PolarHBondContact O-CE1 3.3Å; T105-H154 VanDerWaalsContact O-CE1 3.24Å |
| 106 | P | 84.7 | Confident | 84.2 | Confident | 87 Ų | 87 | 79 Ų | 79 | 57% | 0.565 | 41% | 0.414 | S | S | * | . | S | Bend | cis | -81 | 157 | 4.3 | 33.7 | -36.3 | 0 | 0 | 0 | 114.5 | H154 | P106-H154 HydrophobicContact CG-CB 4.45Å; P106-H154 PolarHBondContact O-ND1 2.93Å |
| 107 | M | 84.3 | Confident | 84.5 | Confident | 70 Ų | 70 | 73.4 Ų | 73.4 | 35% | 0.345 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 137 | 168.3 | -55.6 | 174.4 | 88.9 | 0 | 0 | 108.6 | R103 L151 I160 | R103-M107 HydrophobicContact CB-CE 4.42Å; M107-L151 HydrophobicContact CE-CB 3.73Å; M107-L151 HydrophobicContact CE-CD1 3.66Å; M107-L151 HydrophobicContact CE-CG 4.26Å; M107-L151 HydrophobicContact SD-CD1 4.32Å; M107-I160 HydrophobicContact CE-CB 3.98Å; M107-I160 HydrophobicContact CE-CD1 3.97Å; M107-I160 HydrophobicContact CE-CG2 3.61Å |
| 108 | S | 86.5 | Confident | 84.5 | Confident | 51 Ų | 51 | 76 Ų | 76 | 36% | 0.357 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 147.3 | 174.2 | -59.6 | 0 | 0 | 0 | 0 | 109.8 | L152 | S108-L152 PolarHBondContact N-O 2.6Å; S108-L152 PolarHBondContact O-N 3.31Å |
| 109 | V | 88.4 | Confident | 84.8 | Confident | 71 Ų | 71 | 74.7 Ų | 74.7 | 43% | 0.43 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 133.5 | 173.8 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | L151 | V109-L151 HydrophobicContact CG2-CD2 4.18Å |
| 110 | G | 88.2 | Confident | 85.3 | Confident | 3 Ų | 3 | 75.4 Ų | 75.4 | 3% | 0.031 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 162.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | S124 S149 V150 | G110-S124 CarbonylContact C-O 3.55Å; G110-S124 WeakPolarHBondContact CA-O 3.23Å; G110-S149 CarbonylContact O-C 3.56Å; G110-S149 VanDerWaalsContact O-CA 3.31Å; G110-S149 WeakPolarHBondContact O-CA 3.46Å; G110-V150 PolarHBondContact N-O 2.8Å; G110-V150 WeakPolarHBondContact O-CG2 3.26Å; G110-V150 PolarHBondContact O-N 3.16Å |
| 111 | T | 88.9 | Confident | 85.7 | Confident | 60 Ų | 60 | 71.7 Ų | 71.7 | 37% | 0.368 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 130 | 174.4 | 39 | 0 | 0 | 0 | 0 | 109 | E113 V123 S124 | T111-E113 PolarHBondContact O-N 3.48Å; T111-V123 CarbonylContact O-C 3.56Å; T111-V123 VanDerWaalsContact O-CA 3.32Å; T111-V123 WeakPolarHBondContact O-CA 3.12Å; T111-S124 PolarHBondContact N-O 2.84Å; T111-S124 PolarHBondContact O-N 2.75Å; T111-S124 PolarHBondContact O-OG 3.17Å; T111-S124 PolarHBondContact OG1-O 3.47Å; T111-S124 PolarHBondContact OG1-OG 3.07Å |
| 112 | L | 89 | Confident | 86.2 | Confident | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 119.8 | 174.7 | -171.1 | 70.2 | 0 | 0 | 0 | 109.2 | I115 A121 V123 L144 E145 G147 C148 V150 | L112-I115 HydrophobicContact CD1-CG1 4.44Å; L112-I115 HydrophobicContact CD2-CD1 3.99Å; L112-I115 HydrophobicContact CD2-CG1 3.84Å; L112-I115 HydrophobicContact CG-CG1 4.38Å; L112-A121 HydrophobicContact CD1-CB 3.45Å; L112-A121 VanDerWaalsContact CD1-CB 3.45Å; L112-V123 HydrophobicContact CD1-CG1 3.86Å; L112-L144 HydrophobicContact CD2-CB 3.9Å; L112-L144 HydrophobicContact CD2-CD2 3.93Å; L112-L144 HydrophobicContact CD2-CG 4.48Å; L112-E145 WeakPolarHBondContact CD2-O 3.34Å; L112-G147 WeakPolarHBondContact O-CA 3.37Å; L112-G147 PolarHBondContact O-N 3Å; L112-C148 WeakPolarHBondContact CB-O 3.34Å; L112-C148 PolarHBondContact N-O 3.46Å; L112-V150 HydrophobicContact CB-CG1 4.18Å |
| 113 | E | 88.6 | Confident | 86.7 | Confident | 91 Ų | 91 | 63 Ų | 63 | 43% | 0.425 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -53.5 | 177.7 | -66.9 | -166.2 | 170.1 | 0 | 0 | 111.3 | T111 I122 S124 | T111-E113 PolarHBondContact O-N 3.48Å; E113-I122 HydrophobicContact CB-CG2 4.38Å; E113-I122 PolarHBondContact N-O 2.71Å; E113-S124 WeakPolarHBondContact CG-OG 3.47Å; E113-S124 WeakPolarHBondContact OE1-CB 3.45Å; E113-S124 PolarHBondContact OE1-OG 2.88Å |
| 114 | E | 90 | Very high | 87.4 | Confident | 117 Ų | 117 | 58.6 Ų | 58.6 | 55% | 0.547 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 140 | -175.3 | -169.9 | 175.3 | -178.2 | 0 | 0 | 110.2 | A121 I122 | E114-A121 WeakPolarHBondContact O-CA 3.39Å; E114-I122 PolarHBondContact O-N 2.88Å |
| 115 | I | 88.6 | Confident | 87.9 | Confident | 65 Ų | 65 | 58.8 Ų | 58.8 | 33% | 0.333 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 116.5 | 172.1 | -56.9 | 171 | 0 | 0 | 0 | 106.6 | L112 D117 L144 | L112-I115 HydrophobicContact CD1-CG1 4.44Å; L112-I115 HydrophobicContact CD2-CD1 3.99Å; L112-I115 HydrophobicContact CD2-CG1 3.84Å; L112-I115 HydrophobicContact CG-CG1 4.38Å; I115-D117 WeakPolarHBondContact CG2-O 2.84Å; I115-L144 HydrophobicContact CD1-CB 3.83Å; I115-L144 WeakPolarHBondContact CD1-O 3.18Å |
| 116 | I | 88.6 | Confident | 87.8 | Confident | 85 Ų | 85 | 58.2 Ų | 58.2 | 44% | 0.436 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -50.2 | -176.5 | -68.7 | 169.5 | 0 | 0 | 0 | 110.2 | H120 I122 Y132 | I116-H120 PolarHBondContact N-O 3.43Å; I116-H120 VanDerWaalsContact N-O 3.15Å; I116-I122 HydrophobicContact CD1-CD1 3.71Å; I116-I122 HydrophobicContact CD1-CG1 3.57Å; I116-I122 HydrophobicContact CG1-CD1 4.29Å; I116-I122 HydrophobicContact CG1-CG1 4.24Å; I116-Y132 HydrophobicContact CD1-CD2 3.69Å; I116-Y132 HydrophobicContact CD1-CE2 3.5Å; I116-Y132 VanDerWaalsContact CD1-CE2 3.5Å |
| 117 | D | 85.5 | Confident | 87.7 | Confident | 64 Ų | 64 | 60 Ų | 60 | 34% | 0.342 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 179.7 | -177.2 | 68.7 | 35.1 | 0 | 0 | 0 | 110.7 | I115 N119 H120 | I115-D117 WeakPolarHBondContact CG2-O 2.84Å; D117-N119 PolarHBondContact O-N 3.02Å; D117-N119 WeakPolarHBondContact OD1-CA 3.47Å; D117-N119 PolarHBondContact OD1-N 3.09Å; D117-H120 VanDerWaalsContact CG-ND1 3.29Å; D117-H120 PolarHBondContact N-O 3.18Å; D117-H120 PolarHBondContact O-N 3.43Å; D117-H120 WeakPolarHBondContact OD1-CA 3.29Å; D117-H120 WeakPolarHBondContact OD1-CB 3.45Å; D117-H120 IonicContact OD1-CG 3.95Å; D117-H120 PolarHBondContact OD1-N 3.25Å; D117-H120 IonicContact OD1-ND1 3.65Å; D117-H120 PolarHBondContact OD1-ND1 2.88Å; D117-H120 IonicContact OD2-CE1 2.89Å; D117-H120 IonicContact OD2-CG 2.8Å; D117-H120 IonicContact OD2-ND1 3.42Å; D117-H120 PolarHBondContact OD2-ND1 2.64Å |
| 118 | D | 82.1 | Confident | 87.6 | Confident | 119 Ų | 119 | 59.7 Ų | 59.7 | 64% | 0.636 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -25.2 | -179.6 | -79 | -25.9 | 0 | 0 | 0 | 114 | K141 | D118-K141 WeakPolarHBondContact O-CE 3.36Å; D118-K141 PolarHBondContact O-NZ 3.18Å |
| 119 | N | 86.8 | Confident | 87.6 | Confident | 91 Ų | 91 | 59.6 Ų | 59.6 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | -1.2 | -170.7 | -62.2 | -25.3 | 0 | 0 | 0 | 113.4 | D117 S134 I135 | D117-N119 PolarHBondContact O-N 3.02Å; D117-N119 WeakPolarHBondContact OD1-CA 3.47Å; D117-N119 PolarHBondContact OD1-N 3.09Å; N119-S134 CarbonylContact O-C 3.54Å; N119-S134 WeakPolarHBondContact O-CA 3.24Å; N119-I135 PolarHBondContact O-N 3.43Å |
| 120 | H | 90 | Very high | 87.7 | Confident | 55 Ų | 55 | 62.6 Ų | 62.6 | 26% | 0.255 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 141.4 | -174.4 | -52.5 | 93 | 0 | 0 | 0 | 112.2 | I116 D117 Y132 V133 | I116-H120 PolarHBondContact N-O 3.43Å; I116-H120 VanDerWaalsContact N-O 3.15Å; D117-H120 VanDerWaalsContact CG-ND1 3.29Å; D117-H120 PolarHBondContact N-O 3.18Å; D117-H120 PolarHBondContact O-N 3.43Å; D117-H120 WeakPolarHBondContact OD1-CA 3.29Å; D117-H120 WeakPolarHBondContact OD1-CB 3.45Å; D117-H120 IonicContact OD1-CG 3.95Å; D117-H120 PolarHBondContact OD1-N 3.25Å; D117-H120 IonicContact OD1-ND1 3.65Å; D117-H120 PolarHBondContact OD1-ND1 2.88Å; D117-H120 IonicContact OD2-CE1 2.89Å; D117-H120 IonicContact OD2-CG 2.8Å; D117-H120 IonicContact OD2-ND1 3.42Å; D117-H120 PolarHBondContact OD2-ND1 2.64Å; H120-Y132 HydrophobicContact CB-CD2 4.44Å; H120-Y132 HydrophobicContact CB-CE1 4.08Å; H120-Y132 HydrophobicContact CB-CE2 3.56Å; H120-Y132 VanDerWaalsContact CB-OH 3.27Å; H120-Y132 WeakPolarHBondContact CB-OH 3.1Å; H120-Y132 AromaticContact CD2-CE1 3.36Å; H120-Y132 WeakPolarHBondContact CD2-CE1 3.41Å; H120-Y132 AromaticContact CD2-CZ 3.49Å; H120-Y132 VanDerWaalsContact CD2-CZ 3.49Å; H120-Y132 PolarHBondContact CD2-OH 3.25Å; H120-Y132 AromaticContact CG-CE1 3.82Å; H120-Y132 AromaticContact CG-CZ 3.4Å; H120-Y132 VanDerWaalsContact CG-CZ 3.4Å; H120-Y132 PolarHBondContact ND1-OH 3.06Å; H120-V133 CarbonylContact C-O 3.56Å; H120-V133 VanDerWaalsContact CA-O 3.23Å; H120-V133 WeakPolarHBondContact CA-O 3.33Å |
| 121 | A | 90.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 161.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L112 E114 V133 I135 | L112-A121 HydrophobicContact CD1-CB 3.45Å; L112-A121 VanDerWaalsContact CD1-CB 3.45Å; E114-A121 WeakPolarHBondContact O-CA 3.39Å; A121-V133 HydrophobicContact CB-CG2 4.48Å; A121-V133 PolarHBondContact N-O 2.82Å; A121-V133 VanDerWaalsContact O-CG2 3.28Å; A121-V133 WeakPolarHBondContact O-CG2 3.33Å; A121-V133 PolarHBondContact O-N 2.65Å; A121-I135 HydrophobicContact CB-CD1 4.24Å; A121-I135 HydrophobicContact CB-CG1 4.39Å |
| 122 | I | 92.5 | Very high | 87.9 | Confident | 39 Ų | 39 | 68.4 Ų | 68.4 | 20% | 0.2 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 125.8 | 167.4 | -62.1 | 172.9 | 0 | 0 | 0 | 107.7 | E113 E114 I116 E130 | E113-I122 HydrophobicContact CB-CG2 4.38Å; E113-I122 PolarHBondContact N-O 2.71Å; E114-I122 PolarHBondContact O-N 2.88Å; I116-I122 HydrophobicContact CD1-CD1 3.71Å; I116-I122 HydrophobicContact CD1-CG1 3.57Å; I116-I122 HydrophobicContact CG1-CD1 4.29Å; I116-I122 HydrophobicContact CG1-CG1 4.24Å; I122-E130 HydrophobicContact CG2-CB 4.38Å |
| 123 | V | 91.2 | Very high | 88 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.5 | 175.5 | -60.4 | 0 | 0 | 0 | 0 | 109.8 | T111 L112 E130 H131 V133 V150 L152 V159 | T111-V123 CarbonylContact O-C 3.56Å; T111-V123 VanDerWaalsContact O-CA 3.32Å; T111-V123 WeakPolarHBondContact O-CA 3.12Å; L112-V123 HydrophobicContact CD1-CG1 3.86Å; V123-E130 WeakPolarHBondContact O-CA 3.41Å; V123-H131 HydrophobicContact CG2-CB 4.27Å; V123-H131 PolarHBondContact N-O 3.37Å; V123-H131 PolarHBondContact O-N 3.44Å; V123-V133 HydrophobicContact CB-CG2 4.13Å; V123-V133 HydrophobicContact CG1-CG2 3.52Å; V123-V133 HydrophobicContact CG2-CB 4.14Å; V123-V133 HydrophobicContact CG2-CG1 3.43Å; V123-V133 VanDerWaalsContact CG2-CG1 3.43Å; V123-V133 HydrophobicContact CG2-CG2 3.53Å; V123-V150 HydrophobicContact CB-CG2 4.4Å; V123-V150 HydrophobicContact CG1-CG2 3.72Å; V123-L152 HydrophobicContact CB-CD1 4.26Å; V123-L152 HydrophobicContact CB-CD2 4.44Å; V123-L152 HydrophobicContact CG1-CD2 4.28Å; V123-L152 HydrophobicContact CG2-CD1 3.57Å; V123-L152 HydrophobicContact CG2-CD2 3.88Å; V123-L152 HydrophobicContact CG2-CG 4.37Å; V123-V159 HydrophobicContact CG1-CG2 4.27Å |
| 124 | S | 90.9 | Very high | 88.1 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 9% | 0.091 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 126.6 | 167.2 | 38.4 | 0 | 0 | 0 | 0 | 109.4 | G110 T111 E113 | G110-S124 CarbonylContact C-O 3.55Å; G110-S124 WeakPolarHBondContact CA-O 3.23Å; T111-S124 PolarHBondContact N-O 2.84Å; T111-S124 PolarHBondContact O-N 2.75Å; T111-S124 PolarHBondContact O-OG 3.17Å; T111-S124 PolarHBondContact OG1-O 3.47Å; T111-S124 PolarHBondContact OG1-OG 3.07Å; E113-S124 WeakPolarHBondContact CG-OG 3.47Å; E113-S124 WeakPolarHBondContact OE1-CB 3.45Å; E113-S124 PolarHBondContact OE1-OG 2.88Å |
| 125 | T | 87.7 | Confident | 88 | Confident | 21 Ų | 21 | 61.3 Ų | 61.3 | 13% | 0.129 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 163.2 | 172.4 | 63.5 | 0 | 0 | 0 | 0 | 110 | V127 G128 S129 L152 | T125-V127 PolarHBondContact O-N 3.34Å; T125-G128 PolarHBondContact O-N 2.92Å; T125-S129 PolarHBondContact N-O 3.1Å; T125-S129 PolarHBondContact OG1-O 3.32Å; T125-S129 PolarHBondContact OG1-OG 3.08Å; T125-L152 HydrophobicContact CG2-CD1 4.1Å |
| 126 | S | 81.2 | Confident | 87.8 | Confident | 118 Ų | 118 | 60.3 Ų | 60.3 | 83% | 0.825 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -15.2 | 174.7 | 56.7 | 0 | 0 | 0 | 0 | 114.7 | G128 | S126-G128 VanDerWaalsContact C-N 3.29Š|
| 127 | V | 82.6 | Confident | 87.2 | Confident | 126 Ų | 126 | 62.5 Ų | 62.5 | 76% | 0.764 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -4.7 | 176.3 | -167.4 | 0 | 0 | 0 | 0 | 111.9 | T125 S129 | T125-V127 PolarHBondContact O-N 3.34Å; V127-S129 VanDerWaalsContact C-N 3.34Å |
| 128 | G | 81.3 | Confident | 86.9 | Confident | 63 Ų | 63 | 63 Ų | 63 | 65% | 0.649 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 79.8 | 13.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | T125 S126 | T125-G128 PolarHBondContact O-N 2.92Å; S126-G128 VanDerWaalsContact C-N 3.29Å |
| 129 | S | 87.8 | Confident | 86.8 | Confident | 48 Ų | 48 | 58 Ų | 58 | 34% | 0.336 | 34% | 0.337 | S | S | . | . | trans | -93.8 | 126.7 | 171.2 | 45.7 | 0 | 0 | 0 | 0 | 111 | T125 V127 H131 | T125-S129 PolarHBondContact N-O 3.1Å; T125-S129 PolarHBondContact OG1-O 3.32Å; T125-S129 PolarHBondContact OG1-OG 3.08Å; V127-S129 VanDerWaalsContact C-N 3.34Å; S129-H131 PolarHBondContact O-ND1 3.06Å; S129-H131 VanDerWaalsContact O-ND1 3.13Å; S129-H131 PolarHBondContact OG-CE1 3.07Å | ||
| 130 | E | 90.7 | Very high | 86.5 | Confident | 134 Ų | 134 | 58 Ų | 58 | 63% | 0.626 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 130.5 | 173.9 | -66.6 | 165.2 | -154.1 | 0 | 0 | 109.8 | I122 V123 | I122-E130 HydrophobicContact CG2-CB 4.38Å; V123-E130 WeakPolarHBondContact O-CA 3.41Å |
| 131 | H | 89.5 | Confident | 86.1 | Confident | 52 Ų | 52 | 59.7 Ų | 59.7 | 24% | 0.241 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 136.9 | 177.1 | -61.2 | 80.8 | 0 | 0 | 0 | 109.9 | V123 S129 V133 H157 | V123-H131 HydrophobicContact CG2-CB 4.27Å; V123-H131 PolarHBondContact N-O 3.37Å; V123-H131 PolarHBondContact O-N 3.44Å; S129-H131 PolarHBondContact O-ND1 3.06Å; S129-H131 VanDerWaalsContact O-ND1 3.13Å; S129-H131 PolarHBondContact OG-CE1 3.07Å; H131-V133 HydrophobicContact CB-CG1 3.72Å; H131-V133 PolarHBondContact O-N 3.44Å; H131-H157 AromaticContact NE2-CE1 3.98Å |
| 132 | Y | 91 | Very high | 85.7 | Confident | 133 Ų | 133 | 66.5 Ų | 66.5 | 52% | 0.522 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 111.7 | 165.6 | -177.6 | -103.4 | 0 | 0 | 0 | 108.3 | I116 H120 | I116-Y132 HydrophobicContact CD1-CD2 3.69Å; I116-Y132 HydrophobicContact CD1-CE2 3.5Å; I116-Y132 VanDerWaalsContact CD1-CE2 3.5Å; H120-Y132 HydrophobicContact CB-CD2 4.44Å; H120-Y132 HydrophobicContact CB-CE1 4.08Å; H120-Y132 HydrophobicContact CB-CE2 3.56Å; H120-Y132 VanDerWaalsContact CB-OH 3.27Å; H120-Y132 WeakPolarHBondContact CB-OH 3.1Å; H120-Y132 AromaticContact CD2-CE1 3.36Å; H120-Y132 WeakPolarHBondContact CD2-CE1 3.41Å; H120-Y132 AromaticContact CD2-CZ 3.49Å; H120-Y132 VanDerWaalsContact CD2-CZ 3.49Å; H120-Y132 PolarHBondContact CD2-OH 3.25Å; H120-Y132 AromaticContact CG-CE1 3.82Å; H120-Y132 AromaticContact CG-CZ 3.4Å; H120-Y132 VanDerWaalsContact CG-CZ 3.4Å; H120-Y132 PolarHBondContact ND1-OH 3.06Å |
| 133 | V | 90.9 | Very high | 85.2 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.006 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 146.8 | -169.5 | -62.2 | 0 | 0 | 0 | 0 | 110.9 | H120 A121 V123 H131 L152 H157 V159 | H120-V133 CarbonylContact C-O 3.56Å; H120-V133 VanDerWaalsContact CA-O 3.23Å; H120-V133 WeakPolarHBondContact CA-O 3.33Å; A121-V133 HydrophobicContact CB-CG2 4.48Å; A121-V133 PolarHBondContact N-O 2.82Å; A121-V133 VanDerWaalsContact O-CG2 3.28Å; A121-V133 WeakPolarHBondContact O-CG2 3.33Å; A121-V133 PolarHBondContact O-N 2.65Å; V123-V133 HydrophobicContact CB-CG2 4.13Å; V123-V133 HydrophobicContact CG1-CG2 3.52Å; V123-V133 HydrophobicContact CG2-CB 4.14Å; V123-V133 HydrophobicContact CG2-CG1 3.43Å; V123-V133 VanDerWaalsContact CG2-CG1 3.43Å; V123-V133 HydrophobicContact CG2-CG2 3.53Å; H131-V133 HydrophobicContact CB-CG1 3.72Å; H131-V133 PolarHBondContact O-N 3.44Å; V133-L152 HydrophobicContact CG2-CD2 4.48Å; V133-H157 WeakPolarHBondContact CA-O 3.36Å; V133-H157 WeakPolarHBondContact CB-O 3.48Å; V133-H157 HydrophobicContact CG1-CB 3.96Å; V133-H157 WeakPolarHBondContact CG1-O 3.35Å; V133-V159 HydrophobicContact CB-CG2 4.49Å; V133-V159 HydrophobicContact CG2-CG2 3.63Å |
| 134 | S | 90.2 | Very high | 84.8 | Confident | 44 Ų | 44 | 68.7 Ų | 68.7 | 31% | 0.308 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 142.1 | 173.1 | 54.7 | 0 | 0 | 0 | 0 | 111.6 | N119 A158 V159 | N119-S134 CarbonylContact O-C 3.54Å; N119-S134 WeakPolarHBondContact O-CA 3.24Å; S134-A158 CarbonylContact O-C 3.59Å; S134-A158 VanDerWaalsContact O-CA 3.29Å; S134-A158 WeakPolarHBondContact O-CA 3.28Å; S134-A158 WeakPolarHBondContact O-CB 3.23Å; S134-V159 PolarHBondContact O-N 3.42Å |
| 135 | I | 88.1 | Confident | 84.4 | Confident | 17 Ų | 17 | 73.8 Ų | 73.8 | 9% | 0.087 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 120.4 | 175.4 | -56.4 | 168.7 | 0 | 0 | 0 | 108.2 | N119 A121 V139 L144 V159 | N119-I135 PolarHBondContact O-N 3.43Å; A121-I135 HydrophobicContact CB-CD1 4.24Å; A121-I135 HydrophobicContact CB-CG1 4.39Å; I135-V139 HydrophobicContact CG2-CB 4.08Å; I135-V139 HydrophobicContact CG2-CG1 4.5Å; I135-L144 HydrophobicContact CD1-CD1 3.92Å; I135-L144 HydrophobicContact CG1-CD1 4.41Å; I135-L144 HydrophobicContact CG2-CD1 4.09Å; I135-V159 HydrophobicContact CG1-CG2 4.49Å |
| 136 | L | 84.5 | Confident | 84.2 | Confident | 43 Ų | 43 | 77.3 Ų | 77.3 | 23% | 0.225 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 149.8 | 178.4 | -64.4 | 171.4 | 0 | 0 | 0 | 111.4 | F138 V139 A158 V159 I160 | L136-F138 HydrophobicContact CB-CD1 3.78Å; L136-F138 HydrophobicContact CB-CE1 3.29Å; L136-F138 HydrophobicContact CB-CZ 3.78Å; L136-F138 HydrophobicContact CD1-CE1 3.51Å; L136-F138 HydrophobicContact CD1-CZ 3.47Å; L136-F138 VanDerWaalsContact CD1-CZ 3.47Å; L136-F138 HydrophobicContact CG-CE1 3.96Å; L136-F138 HydrophobicContact CG-CZ 4.26Å; L136-F138 PolarHBondContact O-N 3.27Å; L136-V139 PolarHBondContact O-N 3.32Å; L136-A158 HydrophobicContact CD1-CB 4.1Å; L136-A158 HydrophobicContact CD2-CB 4.36Å; L136-A158 HydrophobicContact CG-CB 4.05Å; L136-V159 WeakPolarHBondContact CB-O 3.36Å; L136-V159 WeakPolarHBondContact CG-O 3.48Å; L136-V159 PolarHBondContact N-O 3.12Å; L136-V159 VanDerWaalsContact N-O 3.17Å; L136-I160 HydrophobicContact CD1-CG1 4.42Å |
| 137 | S | 77.1 | Confident | 84.2 | Confident | 131 Ų | 131 | 74.1 Ų | 74.1 | 92% | 0.916 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -9.8 | -169.9 | -48.2 | 0 | 0 | 0 | 0 | 116.1 | ||
| 138 | F | 79 | Confident | 84.2 | Confident | 75 Ų | 75 | 68.7 Ų | 68.7 | 33% | 0.329 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -2 | 177.2 | 53.1 | -88.6 | 0 | 0 | 0 | 113.2 | L102 L136 I160 | L102-F138 HydrophobicContact CB-CE1 4.45Å; L102-F138 HydrophobicContact CD1-CE1 4.33Å; L136-F138 HydrophobicContact CB-CD1 3.78Å; L136-F138 HydrophobicContact CB-CE1 3.29Å; L136-F138 HydrophobicContact CB-CZ 3.78Å; L136-F138 HydrophobicContact CD1-CE1 3.51Å; L136-F138 HydrophobicContact CD1-CZ 3.47Å; L136-F138 VanDerWaalsContact CD1-CZ 3.47Å; L136-F138 HydrophobicContact CG-CE1 3.96Å; L136-F138 HydrophobicContact CG-CZ 4.26Å; L136-F138 PolarHBondContact O-N 3.27Å; F138-I160 VanDerWaalsContact CD2-O 3.25Å; F138-I160 WeakPolarHBondContact CD2-O 3.46Å; F138-I160 HydrophobicContact CE2-CB 4.21Å; F138-I160 HydrophobicContact CE2-CG2 3.44Å; F138-I160 VanDerWaalsContact CE2-CG2 3.44Å; F138-I160 WeakPolarHBondContact CE2-O 3.43Å; F138-I160 HydrophobicContact CZ-CB 4.33Å; F138-I160 HydrophobicContact CZ-CG2 3.67Å |
| 139 | V | 79.3 | Confident | 84.4 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -91.8 | 126.1 | 172.7 | -172.2 | 0 | 0 | 0 | 0 | 108.4 | I135 L136 K141 L144 V159 I160 V162 | I135-V139 HydrophobicContact CG2-CB 4.08Å; I135-V139 HydrophobicContact CG2-CG1 4.5Å; L136-V139 PolarHBondContact O-N 3.32Å; V139-K141 PolarHBondContact O-N 3.22Å; V139-L144 HydrophobicContact CG1-CD1 4.05Å; V139-L144 HydrophobicContact CG1-CD2 4.35Å; V139-L144 HydrophobicContact CG1-CG 4.2Å; V139-V159 HydrophobicContact CG1-CG1 4.46Å; V139-V159 HydrophobicContact CG2-CG1 4.33Å; V139-I160 VanDerWaalsContact CG2-O 3.32Å; V139-I160 WeakPolarHBondContact CG2-O 3.45Å; V139-V162 HydrophobicContact CG1-CG2 3.96Å |
| 140 | D | 80.8 | Confident | 84.5 | Confident | 91 Ų | 91 | 64.2 Ų | 64.2 | 49% | 0.487 | 35% | 0.35 | S | S | . | . | trans | -73.3 | 126.2 | 172.7 | -160.6 | -14.8 | 0 | 0 | 0 | 109.4 | D142 L143 | D140-D142 VanDerWaalsContact C-N 3.3Å; D140-D142 PolarHBondContact OD1-N 3.5Å; D140-L143 HydrophobicContact CB-CB 4.47Å; D140-L143 HydrophobicContact CB-CD1 3.89Å; D140-L143 HydrophobicContact CB-CG 4Å; D140-L143 PolarHBondContact O-N 2.95Å | ||
| 141 | K | 80.9 | Confident | 84.4 | Confident | 91 Ų | 91 | 59.6 Ų | 59.6 | 40% | 0.396 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -73.1 | -28.6 | -175.3 | -62.5 | 178.6 | -176.9 | -174.2 | 0 | 111.5 | D118 V139 L143 L144 | D118-K141 WeakPolarHBondContact O-CE 3.36Å; D118-K141 PolarHBondContact O-NZ 3.18Å; V139-K141 PolarHBondContact O-N 3.22Å; K141-L143 PolarHBondContact O-N 2.96Å; K141-L144 PolarHBondContact O-N 3.38Å; K141-L144 VanDerWaalsContact O-N 3.16Å |
| 142 | D | 82.9 | Confident | 84.3 | Confident | 143 Ų | 143 | 57.1 Ų | 57.1 | 77% | 0.765 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -71.7 | -17.4 | -179.8 | -64.5 | -21.7 | 0 | 0 | 0 | 111.9 | D140 | D140-D142 VanDerWaalsContact C-N 3.3Å; D140-D142 PolarHBondContact OD1-N 3.5Å |
| 143 | L | 82.5 | Confident | 84.1 | Confident | 75 Ų | 75 | 51.4 Ų | 51.4 | 39% | 0.393 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -88.4 | -7.8 | 174.7 | -62 | 179.2 | 0 | 0 | 0 | 113.3 | D140 K141 E145 V162 M164 | D140-L143 HydrophobicContact CB-CB 4.47Å; D140-L143 HydrophobicContact CB-CD1 3.89Å; D140-L143 HydrophobicContact CB-CG 4Å; D140-L143 PolarHBondContact O-N 2.95Å; K141-L143 PolarHBondContact O-N 2.96Å; L143-E145 PolarHBondContact O-N 3.41Å; L143-V162 HydrophobicContact CB-CG2 4.42Å; L143-M164 HydrophobicContact CD1-CE 4.16Å; L143-M164 HydrophobicContact CD1-SD 4.28Å; L143-M164 HydrophobicContact CD2-CE 3.85Å |
| 144 | L | 82.4 | Confident | 83.8 | Confident | 11 Ų | 11 | 54.3 Ų | 54.3 | 6% | 0.058 | 31% | 0.309 | C | S | . | . | trans | -89.7 | 104 | 179.3 | -71.6 | 169.7 | 0 | 0 | 0 | 109.5 | L112 I115 I135 V139 K141 V150 V162 | L112-L144 HydrophobicContact CD2-CB 3.9Å; L112-L144 HydrophobicContact CD2-CD2 3.93Å; L112-L144 HydrophobicContact CD2-CG 4.48Å; I115-L144 HydrophobicContact CD1-CB 3.83Å; I115-L144 WeakPolarHBondContact CD1-O 3.18Å; I135-L144 HydrophobicContact CD1-CD1 3.92Å; I135-L144 HydrophobicContact CG1-CD1 4.41Å; I135-L144 HydrophobicContact CG2-CD1 4.09Å; V139-L144 HydrophobicContact CG1-CD1 4.05Å; V139-L144 HydrophobicContact CG1-CD2 4.35Å; V139-L144 HydrophobicContact CG1-CG 4.2Å; K141-L144 PolarHBondContact O-N 3.38Å; K141-L144 VanDerWaalsContact O-N 3.16Å; L144-V150 HydrophobicContact CD2-CG1 3.62Å; L144-V162 HydrophobicContact CD2-CG2 3.36Å; L144-V162 HydrophobicContact CG-CG2 3.92Å | ||
| 145 | E | 81.7 | Confident | 83.5 | Confident | 119 Ų | 119 | 60 Ų | 60 | 56% | 0.556 | 33% | 0.328 | S | S | * | . | trans | -108.2 | 143.5 | 170.5 | -61.3 | -175.4 | 160.5 | 0 | 0 | 110.4 | L112 L143 G147 C148 | L112-E145 WeakPolarHBondContact CD2-O 3.34Å; L143-E145 PolarHBondContact O-N 3.41Å; E145-G147 PolarHBondContact O-N 3.04Å; E145-C148 WeakPolarHBondContact O-CB 3.44Å; E145-C148 PolarHBondContact O-N 2.77Å | ||
| 146 | P | 84.2 | Confident | 83.3 | Confident | 95 Ų | 95 | 63.9 Ų | 63.9 | 62% | 0.617 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 125.9 | 170.9 | -26.1 | 35.4 | 0 | 0 | 0 | 111 | ||
| 147 | G | 80.9 | Confident | 83.2 | Confident | 51 Ų | 51 | 65.4 Ų | 65.4 | 53% | 0.526 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99 | -11.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L112 E145 | L112-G147 WeakPolarHBondContact O-CA 3.37Å; L112-G147 PolarHBondContact O-N 3Å; E145-G147 PolarHBondContact O-N 3.04Å |
| 148 | C | 82.5 | Confident | 83.7 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 9% | 0.088 | 32% | 0.316 | C | S | . | . | trans | -70.1 | 144 | 174.7 | -72.1 | 0 | 0 | 0 | 0 | 111.9 | L112 E145 V162 | L112-C148 WeakPolarHBondContact CB-O 3.34Å; L112-C148 PolarHBondContact N-O 3.46Å; E145-C148 WeakPolarHBondContact O-CB 3.44Å; E145-C148 PolarHBondContact O-N 2.77Å; C148-V162 HydrophobicContact CB-CG1 4.24Å | ||
| 149 | S | 86.1 | Confident | 84.1 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 12% | 0.119 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 131.1 | 170.3 | -55.2 | 0 | 0 | 0 | 0 | 110.8 | G110 L163 D166 | G110-S149 CarbonylContact O-C 3.56Å; G110-S149 VanDerWaalsContact O-CA 3.31Å; G110-S149 WeakPolarHBondContact O-CA 3.46Å; S149-L163 PolarHBondContact O-N 3.04Å; S149-D166 WeakPolarHBondContact CA-OD2 2.91Å; S149-D166 VanDerWaalsContact CB-CG 3.42Å; S149-D166 WeakPolarHBondContact CB-OD1 3.27Å; S149-D166 WeakPolarHBondContact CB-OD2 3.38Å; S149-D166 PolarHBondContact N-OD2 2.64Å; S149-D166 PolarHBondContact OG-OD1 3.26Å; S149-D166 VanDerWaalsContact OG-OD1 3.08Å; S149-D166 PolarHBondContact OG-OD2 2.91Å |
| 150 | V | 89.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 146.9 | -179.2 | -67.2 | 0 | 0 | 0 | 0 | 110.2 | G110 L112 V123 L144 L152 V159 G161 | G110-V150 PolarHBondContact N-O 2.8Å; G110-V150 WeakPolarHBondContact O-CG2 3.26Å; G110-V150 PolarHBondContact O-N 3.16Å; L112-V150 HydrophobicContact CB-CG1 4.18Å; V123-V150 HydrophobicContact CB-CG2 4.4Å; V123-V150 HydrophobicContact CG1-CG2 3.72Å; L144-V150 HydrophobicContact CD2-CG1 3.62Å; V150-L152 HydrophobicContact CG2-CD2 4.11Å; V150-L152 HydrophobicContact CG2-CG 4.47Å; V150-V159 HydrophobicContact CB-CG1 3.99Å; V150-V159 HydrophobicContact CG1-CG1 4.17Å; V150-G161 CarbonylContact C-O 3.51Å; V150-G161 WeakPolarHBondContact CA-O 3.49Å |
| 151 | L | 88.7 | Confident | 84.5 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 19% | 0.188 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 127.7 | 174.5 | -60.2 | 175.9 | 0 | 0 | 0 | 109.3 | M107 V109 I160 G161 L163 | M107-L151 HydrophobicContact CE-CB 3.73Å; M107-L151 HydrophobicContact CE-CD1 3.66Å; M107-L151 HydrophobicContact CE-CG 4.26Å; M107-L151 HydrophobicContact SD-CD1 4.32Å; V109-L151 HydrophobicContact CG2-CD2 4.18Å; L151-I160 HydrophobicContact CB-CB 4.43Å; L151-I160 WeakPolarHBondContact O-CB 3.08Å; L151-I160 PolarHBondContact O-N 3.13Å; L151-G161 PolarHBondContact N-O 3.29Å; L151-L163 HydrophobicContact CD2-CD1 4.48Å |
| 152 | L | 88.4 | Confident | 84.6 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 143 | -175.9 | -58.6 | 176 | 0 | 0 | 0 | 111.5 | S108 V123 T125 V133 V150 A158 V159 | S108-L152 PolarHBondContact N-O 2.6Å; S108-L152 PolarHBondContact O-N 3.31Å; V123-L152 HydrophobicContact CB-CD1 4.26Å; V123-L152 HydrophobicContact CB-CD2 4.44Å; V123-L152 HydrophobicContact CG1-CD2 4.28Å; V123-L152 HydrophobicContact CG2-CD1 3.57Å; V123-L152 HydrophobicContact CG2-CD2 3.88Å; V123-L152 HydrophobicContact CG2-CG 4.37Å; T125-L152 HydrophobicContact CG2-CD1 4.1Å; V133-L152 HydrophobicContact CG2-CD2 4.48Å; V150-L152 HydrophobicContact CG2-CD2 4.11Å; V150-L152 HydrophobicContact CG2-CG 4.47Å; L152-A158 WeakPolarHBondContact CA-O 3.14Å; L152-V159 HydrophobicContact CD2-CG2 3.85Å |
| 153 | N | 87.2 | Confident | 84.6 | Confident | 12 Ų | 12 | 45.4 Ų | 45.4 | 6% | 0.064 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 126.4 | 174 | -168 | -38.1 | 0 | 0 | 0 | 109.7 | L102 R103 K155 H157 A158 I160 | L102-N153 PolarHBondContact O-ND2 2.91Å; R103-N153 PolarHBondContact O-ND2 3.21Å; N153-K155 PolarHBondContact O-N 2.96Å; N153-K155 PolarHBondContact OD1-N 3.06Å; N153-H157 WeakPolarHBondContact O-CA 3.5Å; N153-H157 PolarHBondContact O-N 3.38Å; N153-A158 PolarHBondContact N-O 3.39Å; N153-I160 HydrophobicContact CB-CD1 3.5Å; N153-I160 VanDerWaalsContact CB-CD1 3.5Å; N153-I160 HydrophobicContact CB-CG1 4.07Å |
| 154 | H | 83.5 | Confident | 83.9 | Confident | 63 Ų | 63 | 47.9 Ų | 47.9 | 29% | 0.292 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -21 | 179.6 | 71.8 | -84.6 | 0 | 0 | 0 | 114.4 | T105 P106 | T105-H154 PolarHBondContact O-CE1 3.3Å; T105-H154 VanDerWaalsContact O-CE1 3.24Å; P106-H154 HydrophobicContact CG-CB 4.45Å; P106-H154 PolarHBondContact O-ND1 2.93Å |
| 155 | K | 84.1 | Confident | 83 | Confident | 162 Ų | 162 | 53.4 Ų | 53.4 | 70% | 0.704 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -45.8 | -179.2 | -60.5 | -172.8 | -178.6 | 172.7 | 0 | 113.4 | N153 | N153-K155 PolarHBondContact O-N 2.96Å; N153-K155 PolarHBondContact OD1-N 3.06Å |
| 156 | V | 82.7 | Confident | 82.1 | Confident | 100 Ų | 100 | 50 Ų | 50 | 61% | 0.606 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -15.7 | -169.4 | -171.2 | 0 | 0 | 0 | 0 | 111.6 | A158 | V156-A158 HydrophobicContact CB-CB 4.39Å; V156-A158 HydrophobicContact CG1-CB 4.21Å |
| 157 | H | 83.6 | Confident | 81.1 | Confident | 75 Ų | 75 | 48 Ų | 48 | 35% | 0.347 | 27% | 0.266 | S | S | . | . | trans | 49 | 59.5 | -167.2 | -60.2 | -79.1 | 0 | 0 | 0 | 110.3 | H131 V133 N153 | H131-H157 AromaticContact NE2-CE1 3.98Å; V133-H157 WeakPolarHBondContact CA-O 3.36Å; V133-H157 WeakPolarHBondContact CB-O 3.48Å; V133-H157 HydrophobicContact CG1-CB 3.96Å; V133-H157 WeakPolarHBondContact CG1-O 3.35Å; N153-H157 WeakPolarHBondContact O-CA 3.5Å; N153-H157 PolarHBondContact O-N 3.38Å | ||
| 158 | A | 87.7 | Confident | 80.5 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 147 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | S134 L136 L152 N153 V156 I160 | S134-A158 CarbonylContact O-C 3.59Å; S134-A158 VanDerWaalsContact O-CA 3.29Å; S134-A158 WeakPolarHBondContact O-CA 3.28Å; S134-A158 WeakPolarHBondContact O-CB 3.23Å; L136-A158 HydrophobicContact CD1-CB 4.1Å; L136-A158 HydrophobicContact CD2-CB 4.36Å; L136-A158 HydrophobicContact CG-CB 4.05Å; L152-A158 WeakPolarHBondContact CA-O 3.14Å; N153-A158 PolarHBondContact N-O 3.39Å; V156-A158 HydrophobicContact CB-CB 4.39Å; V156-A158 HydrophobicContact CG1-CB 4.21Å; A158-I160 WeakPolarHBondContact O-CG1 3.48Å; A158-I160 PolarHBondContact O-N 3.04Å |
| 159 | V | 86.8 | Confident | 80 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 120.7 | 177.3 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | V123 V133 S134 I135 L136 V139 V150 L152 | V123-V159 HydrophobicContact CG1-CG2 4.27Å; V133-V159 HydrophobicContact CB-CG2 4.49Å; V133-V159 HydrophobicContact CG2-CG2 3.63Å; S134-V159 PolarHBondContact O-N 3.42Å; I135-V159 HydrophobicContact CG1-CG2 4.49Å; L136-V159 WeakPolarHBondContact CB-O 3.36Å; L136-V159 WeakPolarHBondContact CG-O 3.48Å; L136-V159 PolarHBondContact N-O 3.12Å; L136-V159 VanDerWaalsContact N-O 3.17Å; V139-V159 HydrophobicContact CG1-CG1 4.46Å; V139-V159 HydrophobicContact CG2-CG1 4.33Å; V150-V159 HydrophobicContact CB-CG1 3.99Å; V150-V159 HydrophobicContact CG1-CG1 4.17Å; L152-V159 HydrophobicContact CD2-CG2 3.85Å |
| 160 | I | 84.8 | Confident | 79.2 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -26.7 | -176.1 | -50.1 | -172.4 | 0 | 0 | 0 | 110.9 | R103 M107 L136 F138 V139 L151 N153 A158 | R103-I160 HydrophobicContact CB-CD1 4.49Å; R103-I160 HydrophobicContact CB-CG2 4.02Å; R103-I160 HydrophobicContact CG-CG2 3.5Å; R103-I160 VanDerWaalsContact CG-CG2 3.5Å; R103-I160 WeakPolarHBondContact O-CD1 3.29Å; M107-I160 HydrophobicContact CE-CB 3.98Å; M107-I160 HydrophobicContact CE-CD1 3.97Å; M107-I160 HydrophobicContact CE-CG2 3.61Å; L136-I160 HydrophobicContact CD1-CG1 4.42Å; F138-I160 VanDerWaalsContact CD2-O 3.25Å; F138-I160 WeakPolarHBondContact CD2-O 3.46Å; F138-I160 HydrophobicContact CE2-CB 4.21Å; F138-I160 HydrophobicContact CE2-CG2 3.44Å; F138-I160 VanDerWaalsContact CE2-CG2 3.44Å; F138-I160 WeakPolarHBondContact CE2-O 3.43Å; F138-I160 HydrophobicContact CZ-CB 4.33Å; F138-I160 HydrophobicContact CZ-CG2 3.67Å; V139-I160 VanDerWaalsContact CG2-O 3.32Å; V139-I160 WeakPolarHBondContact CG2-O 3.45Å; L151-I160 HydrophobicContact CB-CB 4.43Å; L151-I160 WeakPolarHBondContact O-CB 3.08Å; L151-I160 PolarHBondContact O-N 3.13Å; N153-I160 HydrophobicContact CB-CD1 3.5Å; N153-I160 VanDerWaalsContact CB-CD1 3.5Å; N153-I160 HydrophobicContact CB-CG1 4.07Å; A158-I160 WeakPolarHBondContact O-CG1 3.48Å; A158-I160 PolarHBondContact O-N 3.04Å |
| 161 | G | 83.7 | Confident | 78.3 | Confident | 15 Ų | 15 | 56 Ų | 56 | 16% | 0.155 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.9 | 165.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V150 L151 | V150-G161 CarbonylContact C-O 3.51Å; V150-G161 WeakPolarHBondContact CA-O 3.49Å; L151-G161 PolarHBondContact N-O 3.29Å |
| 162 | V | 84.3 | Confident | 77.5 | Confident | 29 Ų | 29 | 57.9 Ų | 57.9 | 18% | 0.176 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 134.7 | 173.6 | -171 | 0 | 0 | 0 | 0 | 107.9 | V139 L143 L144 C148 M164 | V139-V162 HydrophobicContact CG1-CG2 3.96Å; L143-V162 HydrophobicContact CB-CG2 4.42Å; L144-V162 HydrophobicContact CD2-CG2 3.36Å; L144-V162 HydrophobicContact CG-CG2 3.92Å; C148-V162 HydrophobicContact CB-CG1 4.24Å; V162-M164 PolarHBondContact O-N 3.46Å |
| 163 | L | 81.2 | Confident | 76.6 | Confident | 74 Ų | 74 | 63.3 Ų | 63.3 | 39% | 0.387 | 35% | 0.345 | S | S | . | . | trans | -83.4 | 104.2 | 165.3 | -155.5 | 76.4 | 0 | 0 | 0 | 106.4 | S149 L151 D165 | S149-L163 PolarHBondContact O-N 3.04Å; L151-L163 HydrophobicContact CD2-CD1 4.48Å; L163-D165 PolarHBondContact O-N 3Å | ||
| 164 | M | 68.1 | Low | 75.8 | Confident | 127 Ų | 127 | 63 Ų | 63 | 63% | 0.626 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -73.1 | -17.4 | -175 | -60.5 | -174.5 | 76.5 | 0 | 0 | 112.7 | L143 V162 | L143-M164 HydrophobicContact CD1-CE 4.16Å; L143-M164 HydrophobicContact CD1-SD 4.28Å; L143-M164 HydrophobicContact CD2-CE 3.85Å; V162-M164 PolarHBondContact O-N 3.46Å |
| 165 | D | 63.7 | Low | 75.1 | Confident | 127 Ų | 127 | 63.6 Ų | 63.6 | 68% | 0.679 | 35% | 0.345 | S | S | * | . | trans | -114 | 60.2 | -175.1 | -62.2 | -32.4 | 0 | 0 | 0 | 111.8 | L163 T167 | L163-D165 PolarHBondContact O-N 3Å; D165-T167 PolarHBondContact O-N 3.41Å | ||
| 166 | D | 62.1 | Low | 74.1 | Confident | 48 Ų | 48 | 58.4 Ų | 58.4 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | trans | -73.2 | 40.9 | 165.9 | -75.9 | -19.3 | 0 | 0 | 0 | 112 | S149 D168 | S149-D166 WeakPolarHBondContact CA-OD2 2.91Å; S149-D166 VanDerWaalsContact CB-CG 3.42Å; S149-D166 WeakPolarHBondContact CB-OD1 3.27Å; S149-D166 WeakPolarHBondContact CB-OD2 3.38Å; S149-D166 PolarHBondContact N-OD2 2.64Å; S149-D166 PolarHBondContact OG-OD1 3.26Å; S149-D166 VanDerWaalsContact OG-OD1 3.08Å; S149-D166 PolarHBondContact OG-OD2 2.91Å; D166-D168 PolarHBondContact O-N 2.77Å | ||
| 167 | T | 63.8 | Low | 73 | Confident | 52 Ų | 52 | 62.1 Ų | 62.1 | 32% | 0.319 | 34% | 0.337 | S | S | . | . | trans | -79.5 | 119.9 | 171.7 | 50.5 | 0 | 0 | 0 | 0 | 107.9 | D165 V273 | D165-T167 PolarHBondContact O-N 3.41Å; T167-V273 HydrophobicContact CG2-CG2 3.59Å | ||
| 168 | D | 68.3 | Low | 71.9 | Confident | 79 Ų | 79 | 66.8 Ų | 66.8 | 42% | 0.422 | 36% | 0.357 | S | S | . | . | trans | -51.4 | 135.4 | 170 | -92.8 | -34.8 | 0 | 0 | 0 | 108.7 | D166 L170 V171 T172 | D166-D168 PolarHBondContact O-N 2.77Å; D168-L170 PolarHBondContact O-N 3.05Å; D168-V171 HydrophobicContact CB-CG2 4.28Å; D168-V171 PolarHBondContact O-N 2.93Å; D168-T172 PolarHBondContact O-N 3.28Å | ||
| 169 | P | 71.8 | Confident | 70.7 | Confident | 98 Ų | 98 | 70.2 Ų | 70.2 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58 | -23.7 | -177.6 | 23.5 | -34 | 0 | 0 | 0 | 111.8 | T172 V173 | P169-T172 PolarHBondContact O-N 3.29Å; P169-V173 WeakPolarHBondContact O-CG2 3.3Å; P169-V173 PolarHBondContact O-N 3.35Å |
| 170 | L | 70.4 | Confident | 70 | Confident | 71 Ų | 71 | 71.1 Ų | 71.1 | 37% | 0.372 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.7 | -34.5 | 175.7 | -164.6 | 63.2 | 0 | 0 | 0 | 112.4 | D168 V173 M174 L266 | D168-L170 PolarHBondContact O-N 3.05Å; L170-V173 WeakPolarHBondContact O-CB 3.46Å; L170-V173 PolarHBondContact O-N 3.44Å; L170-M174 HydrophobicContact CD2-CE 4.38Å; L170-M174 HydrophobicContact CG-CE 3.99Å; L170-M174 WeakPolarHBondContact O-CG 3.48Å; L170-M174 PolarHBondContact O-N 2.89Å; L170-L266 HydrophobicContact CB-CD1 4.22Å; L170-L266 HydrophobicContact CD2-CD1 3.7Å; L170-L266 HydrophobicContact CD2-CD2 3.54Å; L170-L266 HydrophobicContact CD2-CG 4.25Å; L170-L266 HydrophobicContact CG-CD1 4.12Å; L170-L266 HydrophobicContact CG-CD2 4.5Å |
| 171 | V | 69.8 | Low | 69.6 | Low | 2 Ų | 2 | 79.9 Ų | 79.9 | 1% | 0.012 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -76.2 | -34.8 | 178 | -175.2 | 0 | 0 | 0 | 0 | 111 | D168 V173 M174 K175 L266 E269 V273 | D168-V171 HydrophobicContact CB-CG2 4.28Å; D168-V171 PolarHBondContact O-N 2.93Å; V171-V173 PolarHBondContact O-N 3.04Å; V171-M174 WeakPolarHBondContact O-CA 3.43Å; V171-M174 WeakPolarHBondContact O-CB 3.47Å; V171-M174 PolarHBondContact O-N 2.86Å; V171-K175 PolarHBondContact O-N 3.48Å; V171-K175 VanDerWaalsContact O-N 3.15Å; V171-L266 HydrophobicContact CG2-CD1 3.83Å; V171-E269 HydrophobicContact CG2-CB 4.07Å; V171-V273 HydrophobicContact CG1-CB 3.89Å; V171-V273 HydrophobicContact CG1-CG1 4.1Å; V171-V273 HydrophobicContact CG1-CG2 3.62Å |
| 172 | T | 71 | Confident | 69.6 | Low | 74 Ų | 74 | 82.7 Ų | 82.7 | 45% | 0.454 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.5 | -34.9 | 171.4 | -38.5 | 0 | 0 | 0 | 0 | 111.5 | D168 P169 M174 K175 | D168-T172 PolarHBondContact O-N 3.28Å; P169-T172 PolarHBondContact O-N 3.29Å; T172-M174 VanDerWaalsContact C-N 3.32Å; T172-M174 PolarHBondContact O-N 3.11Å; T172-K175 WeakPolarHBondContact O-CB 3.38Å; T172-K175 PolarHBondContact O-N 3.19Å |
| 173 | V | 70.7 | Confident | 69.6 | Low | 115 Ų | 115 | 83.5 Ų | 83.5 | 70% | 0.697 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -68.2 | -30.5 | 174.4 | 175.2 | 0 | 0 | 0 | 0 | 112.2 | P169 L170 V171 K175 | P169-V173 WeakPolarHBondContact O-CG2 3.3Å; P169-V173 PolarHBondContact O-N 3.35Å; L170-V173 WeakPolarHBondContact O-CB 3.46Å; L170-V173 PolarHBondContact O-N 3.44Å; V171-V173 PolarHBondContact O-N 3.04Å; V173-K175 VanDerWaalsContact C-N 3.32Å |
| 174 | M | 70.7 | Confident | 69.9 | Low | 6 Ų | 6 | 81.2 Ų | 81.2 | 3% | 0.03 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -74.3 | -23.4 | 176.1 | -62 | 177.7 | -159.7 | 0 | 0 | 112.9 | L170 V171 T172 V176 R249 V250 L266 L270 | L170-M174 HydrophobicContact CD2-CE 4.38Å; L170-M174 HydrophobicContact CG-CE 3.99Å; L170-M174 WeakPolarHBondContact O-CG 3.48Å; L170-M174 PolarHBondContact O-N 2.89Å; V171-M174 WeakPolarHBondContact O-CA 3.43Å; V171-M174 WeakPolarHBondContact O-CB 3.47Å; V171-M174 PolarHBondContact O-N 2.86Å; T172-M174 VanDerWaalsContact C-N 3.32Å; T172-M174 PolarHBondContact O-N 3.11Å; M174-V176 PolarHBondContact O-N 3.24Å; M174-V176 VanDerWaalsContact O-N 3.15Å; M174-R249 PolarHBondContact O-N 2.66Å; M174-R249 VanDerWaalsContact O-N 3.14Å; M174-V250 HydrophobicContact CB-CG2 4.22Å; M174-V250 HydrophobicContact CG-CG2 4.07Å; M174-V250 HydrophobicContact SD-CB 4.44Å; M174-V250 HydrophobicContact SD-CG1 4.18Å; M174-V250 HydrophobicContact SD-CG2 3.51Å; M174-V250 VanDerWaalsContact SD-CG2 3.51Å; M174-L266 HydrophobicContact CE-CD1 3.56Å; M174-L266 HydrophobicContact CE-CD2 3.75Å; M174-L266 HydrophobicContact CE-CG 3.79Å; M174-L270 HydrophobicContact SD-CD1 3.9Å |
| 175 | K | 67.3 | Low | 70.6 | Confident | 76 Ų | 76 | 78.8 Ų | 78.8 | 33% | 0.33 | 43% | 0.432 | S | S | . | . | B | Isolated β-bridge | trans | -70.3 | 108.9 | 175.3 | -168.9 | 174.4 | 177.9 | 178.7 | 0 | 109.3 | V171 T172 V173 E177 L248 H277 | V171-K175 PolarHBondContact O-N 3.48Å; V171-K175 VanDerWaalsContact O-N 3.15Å; T172-K175 WeakPolarHBondContact O-CB 3.38Å; T172-K175 PolarHBondContact O-N 3.19Å; V173-K175 VanDerWaalsContact C-N 3.32Å; K175-E177 PolarHBondContact O-N 3.23Å; K175-L248 HydrophobicContact CB-CD2 4.11Å; K175-L248 HydrophobicContact CG-CD2 4.15Å; K175-H277 PolarHBondContact NZ-CD2 2.95Å; K175-H277 PolarHBondContact NZ-NE2 3.46Å |
| 176 | V | 64.9 | Low | 71.6 | Confident | 53 Ų | 53 | 74.8 Ų | 74.8 | 32% | 0.321 | 41% | 0.411 | S | S | . | . | trans | -79.3 | 94.4 | 177.6 | -172.7 | 0 | 0 | 0 | 0 | 108.4 | M174 K178 F247 R249 | M174-V176 PolarHBondContact O-N 3.24Å; M174-V176 VanDerWaalsContact O-N 3.15Å; V176-K178 WeakPolarHBondContact CG1-O 3.5Å; V176-K178 PolarHBondContact O-N 3.45Å; V176-K178 VanDerWaalsContact O-N 3.15Å; V176-F247 HydrophobicContact CB-CD1 4.2Å; V176-F247 HydrophobicContact CG2-CD1 3.97Å; V176-F247 HydrophobicContact CG2-CE1 4.41Å; V176-F247 PolarHBondContact N-O 2.9Å; V176-R249 HydrophobicContact CG2-CB 3.55Å | ||
| 177 | E | 58.3 | Low | 72.7 | Confident | 177 Ų | 177 | 73.7 Ų | 73.7 | 83% | 0.827 | 41% | 0.405 | S | S | * | . | trans | -62.5 | -18.4 | 175.1 | -68.7 | -170.6 | 154.9 | 0 | 0 | 113.3 | K175 | K175-E177 PolarHBondContact O-N 3.23Š| ||
| 178 | K | 60.9 | Low | 73.7 | Confident | 174 Ų | 174 | 71.6 Ų | 71.6 | 76% | 0.757 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -104.9 | 108.5 | -178 | -68 | -179.3 | -177.7 | 172.8 | 0 | 111.2 | V176 | V176-K178 WeakPolarHBondContact CG1-O 3.5Å; V176-K178 PolarHBondContact O-N 3.45Å; V176-K178 VanDerWaalsContact O-N 3.15Å |
| 179 | A | 62.9 | Low | 74.5 | Confident | 73 Ų | 73 | 68.3 Ų | 68.3 | 60% | 0.603 | 38% | 0.378 | S | S | * | . | trans | -47.2 | 127.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q181 | A179-Q181 PolarHBondContact O-N 3.36Š| ||
| 180 | P | 71.1 | Confident | 75.1 | Confident | 21 Ų | 21 | 65 Ų | 65 | 14% | 0.136 | 36% | 0.355 | C | S | . | . | trans | -57.8 | 137.2 | 177.9 | 19.1 | -28.1 | 0 | 0 | 0 | 110.3 | E182 K237 A240 N241 | P180-E182 VanDerWaalsContact C-N 3.27Å; P180-E182 PolarHBondContact O-N 3.23Å; P180-K237 HydrophobicContact CB-CB 3.85Å; P180-K237 HydrophobicContact CB-CG 4.21Å; P180-K237 HydrophobicContact CG-CB 4.28Å; P180-K237 WeakPolarHBondContact CG-O 3.36Å; P180-A240 HydrophobicContact CG-CB 3.97Å; P180-N241 HydrophobicContact CG-CB 4.19Å; P180-N241 WeakPolarHBondContact O-CB 3.45Å; P180-N241 PolarHBondContact O-ND2 3.35Å; P180-N241 PolarHBondContact O-OD1 3.49Å | ||
| 181 | Q | 77.8 | Confident | 75.9 | Confident | 186 Ų | 186 | 67.2 Ų | 67.2 | 87% | 0.869 | 37% | 0.368 | S | S | * | . | trans | -79.1 | -11.5 | -178 | -65 | -177.7 | 2.1 | 0 | 0 | 113.5 | A179 | A179-Q181 PolarHBondContact O-N 3.36Š| ||
| 182 | E | 82 | Confident | 76.9 | Confident | 75 Ų | 75 | 72.7 Ų | 72.7 | 35% | 0.35 | 40% | 0.396 | S | S | . | . | trans | -72.1 | 135.3 | -175.3 | -55.2 | -68.2 | 166.4 | 0 | 0 | 110.1 | P180 L234 N241 | P180-E182 VanDerWaalsContact C-N 3.27Å; P180-E182 PolarHBondContact O-N 3.23Å; E182-L234 HydrophobicContact CG-CG 4.47Å; E182-N241 WeakPolarHBondContact O-CB 3.39Å; E182-N241 PolarHBondContact O-ND2 3.06Å | ||
| 183 | T | 85.5 | Confident | 77.9 | Confident | 46 Ų | 46 | 70.8 Ų | 70.8 | 28% | 0.282 | 38% | 0.382 | S | S | . | . | trans | -115.5 | 162.3 | 175.8 | 63.2 | 0 | 0 | 0 | 0 | 110.5 | A185 D186 | T183-A185 PolarHBondContact O-N 3.1Å; T183-D186 PolarHBondContact N-OD2 3.45Å; T183-D186 WeakPolarHBondContact O-CB 3.35Å; T183-D186 PolarHBondContact O-N 3.25Å; T183-D186 PolarHBondContact OG1-OD2 3.25Å | ||
| 184 | Y | 86.3 | Confident | 78.8 | Confident | 26 Ų | 26 | 66 Ų | 66 | 10% | 0.102 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -56.1 | -23.8 | 173.4 | -65.4 | -62.5 | 0 | 0 | 0 | 113 | D186 I187 I194 K198 E202 L235 A238 V239 Q242 | Y184-D186 VanDerWaalsContact C-N 3.27Å; Y184-D186 PolarHBondContact O-N 2.67Å; Y184-I187 HydrophobicContact CD1-CD1 4.49Å; Y184-I187 PolarHBondContact O-N 3.05Å; Y184-I194 HydrophobicContact CD1-CG2 3.85Å; Y184-I194 HydrophobicContact CE1-CG2 3.99Å; Y184-K198 HydrophobicContact CE1-CG 4.44Å; Y184-K198 HydrophobicContact CE2-CD 4.41Å; Y184-K198 WeakPolarHBondContact OH-CG 3.18Å; Y184-E202 PolarHBondContact OH-OE2 3.21Å; Y184-L235 HydrophobicContact CE1-CD1 4.36Å; Y184-A238 HydrophobicContact CD1-CB 4.14Å; Y184-A238 HydrophobicContact CE1-CB 4.37Å; Y184-V239 HydrophobicContact CE1-CG2 3.9Å; Y184-V239 WeakPolarHBondContact OH-CG2 3.42Å; Y184-Q242 HydrophobicContact CD2-CB 4.44Å; Y184-Q242 HydrophobicContact CD2-CG 3.6Å; Y184-Q242 HydrophobicContact CE2-CB 3.68Å; Y184-Q242 HydrophobicContact CE2-CG 3.33Å |
| 185 | A | 84.7 | Confident | 79.7 | Confident | 75 Ų | 75 | 71 Ų | 71 | 62% | 0.62 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -70.8 | -21.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T183 I187 | T183-A185 PolarHBondContact O-N 3.1Å; A185-I187 VanDerWaalsContact C-N 3.27Å |
| 186 | D | 83.4 | Confident | 80.9 | Confident | 44 Ų | 44 | 71.2 Ų | 71.2 | 24% | 0.235 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -81.8 | -8.6 | 175.7 | -58.5 | -62.2 | 0 | 0 | 0 | 112 | T183 Y184 | T183-D186 PolarHBondContact N-OD2 3.45Å; T183-D186 WeakPolarHBondContact O-CB 3.35Å; T183-D186 PolarHBondContact O-N 3.25Å; T183-D186 PolarHBondContact OG1-OD2 3.25Å; Y184-D186 VanDerWaalsContact C-N 3.27Å; Y184-D186 PolarHBondContact O-N 2.67Å |
| 187 | I | 86 | Confident | 82.1 | Confident | 25 Ų | 25 | 68.7 Ų | 68.7 | 13% | 0.128 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -91.8 | 120.2 | 176.4 | -46.2 | -166.3 | 0 | 0 | 0 | 109.3 | Y184 A185 I194 L234 L235 A238 | Y184-I187 HydrophobicContact CD1-CD1 4.49Å; Y184-I187 PolarHBondContact O-N 3.05Å; A185-I187 VanDerWaalsContact C-N 3.27Å; I187-I194 HydrophobicContact CB-CD1 4.25Å; I187-I194 HydrophobicContact CG2-CD1 4.03Å; I187-L234 HydrophobicContact CD1-CD2 3.69Å; I187-L234 HydrophobicContact CG1-CD2 3.42Å; I187-L234 VanDerWaalsContact CG1-CD2 3.42Å; I187-L235 HydrophobicContact CD1-CB 4.26Å; I187-L235 HydrophobicContact CD1-CD1 3.5Å; I187-A238 HydrophobicContact CD1-CB 3.79Å |
| 188 | G | 84 | Confident | 83.6 | Confident | 7 Ų | 7 | 63.5 Ų | 63.5 | 7% | 0.072 | 34% | 0.338 | C | S | . | . | trans | -87.9 | 117.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | T360 | G188-T360 WeakPolarHBondContact O-CG2 3.34Š| ||
| 189 | G | 85.9 | Confident | 84.9 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 11% | 0.113 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 70.5 | -151.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D191 I194 | G189-D191 PolarHBondContact O-N 3.4Å; G189-I194 WeakPolarHBondContact O-CD1 3.44Å |
| 190 | L | 84.5 | Confident | 86 | Confident | 27 Ų | 27 | 56 Ų | 56 | 14% | 0.141 | 29% | 0.293 | C | S | . | . | trans | 56.9 | 32.9 | -175.6 | -61.4 | 169.5 | 0 | 0 | 0 | 113.4 | N192 Q193 I194 F353 P354 | L190-N192 PolarHBondContact O-N 3.5Å; L190-Q193 VanDerWaalsContact CA-OE1 3.3Å; L190-Q193 HydrophobicContact CB-CB 4.3Å; L190-Q193 HydrophobicContact CD2-CG 4.35Å; L190-Q193 PolarHBondContact O-N 2.77Å; L190-Q193 VanDerWaalsContact O-N 3.11Å; L190-Q193 PolarHBondContact O-OE1 2.9Å; L190-I194 VanDerWaalsContact O-CG1 3.3Å; L190-I194 WeakPolarHBondContact O-CG1 3.32Å; L190-I194 PolarHBondContact O-N 3.29Å; L190-F353 HydrophobicContact CD1-CD1 3.75Å; L190-F353 HydrophobicContact CD1-CE1 3.98Å; L190-P354 HydrophobicContact CD2-CG 4.41Å | ||
| 191 | D | 87.7 | Confident | 86.7 | Confident | 119 Ų | 119 | 55 Ų | 55 | 64% | 0.636 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -57.9 | -37.8 | -174.4 | -62 | -56.1 | 0 | 0 | 0 | 112.3 | G189 I194 Q195 | G189-D191 PolarHBondContact O-N 3.4Å; D191-I194 PolarHBondContact O-N 3.11Å; D191-Q195 WeakPolarHBondContact O-CB 3.49Å; D191-Q195 PolarHBondContact O-N 2.89Å |
| 192 | N | 90.4 | Very high | 87.1 | Confident | 116 Ų | 116 | 48.2 Ų | 48.2 | 62% | 0.62 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -64.6 | -46.9 | 177.2 | -65 | -6.6 | 0 | 0 | 0 | 111.4 | L190 I194 Q195 E196 | L190-N192 PolarHBondContact O-N 3.5Å; N192-I194 VanDerWaalsContact C-N 3.35Å; N192-Q195 WeakPolarHBondContact O-CB 3.38Å; N192-Q195 PolarHBondContact O-N 2.99Å; N192-E196 WeakPolarHBondContact O-CG 3.49Å; N192-E196 PolarHBondContact O-N 3.24Å |
| 193 | Q | 90.5 | Very high | 87.3 | Confident | 34 Ų | 34 | 47.3 Ų | 47.3 | 16% | 0.159 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.6 | -37.8 | 178.9 | -67 | 79.2 | 3.3 | 0 | 0 | 111.7 | L190 Q195 E196 I197 I351 E352 | L190-Q193 VanDerWaalsContact CA-OE1 3.3Å; L190-Q193 HydrophobicContact CB-CB 4.3Å; L190-Q193 HydrophobicContact CD2-CG 4.35Å; L190-Q193 PolarHBondContact O-N 2.77Å; L190-Q193 VanDerWaalsContact O-N 3.11Å; L190-Q193 PolarHBondContact O-OE1 2.9Å; Q193-Q195 VanDerWaalsContact C-N 3.32Å; Q193-E196 PolarHBondContact O-N 3.43Å; Q193-I197 PolarHBondContact O-N 2.8Å; Q193-I351 HydrophobicContact CB-CG2 3.67Å; Q193-I351 HydrophobicContact CG-CG2 3.56Å; Q193-E352 WeakPolarHBondContact CG-O 3.19Å; Q193-E352 PolarHBondContact NE2-O 2.8Å |
| 194 | I | 90 | Very high | 87.3 | Confident | 16 Ų | 16 | 45.4 Ų | 45.4 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.6 | -42.4 | 173.4 | -67.1 | 165.8 | 0 | 0 | 0 | 109.8 | Y184 I187 G189 L190 D191 N192 I197 K198 L235 | Y184-I194 HydrophobicContact CD1-CG2 3.85Å; Y184-I194 HydrophobicContact CE1-CG2 3.99Å; I187-I194 HydrophobicContact CB-CD1 4.25Å; I187-I194 HydrophobicContact CG2-CD1 4.03Å; G189-I194 WeakPolarHBondContact O-CD1 3.44Å; L190-I194 VanDerWaalsContact O-CG1 3.3Å; L190-I194 WeakPolarHBondContact O-CG1 3.32Å; L190-I194 PolarHBondContact O-N 3.29Å; D191-I194 PolarHBondContact O-N 3.11Å; N192-I194 VanDerWaalsContact C-N 3.35Å; I194-I197 WeakPolarHBondContact O-CG2 3.11Å; I194-K198 HydrophobicContact CG2-CD 3.97Å; I194-K198 HydrophobicContact CG2-CG 4.39Å; I194-K198 WeakPolarHBondContact O-CB 3.49Å; I194-K198 WeakPolarHBondContact O-CG 3.34Å; I194-K198 PolarHBondContact O-N 2.85Å; I194-L235 HydrophobicContact CB-CD1 4.47Å; I194-L235 HydrophobicContact CG1-CD1 3.63Å |
| 195 | Q | 91.1 | Very high | 87.1 | Confident | 110 Ų | 110 | 46 Ų | 46 | 51% | 0.514 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.9 | -46.4 | 177.1 | -175.9 | 174.5 | -9.7 | 0 | 0 | 111.4 | D191 N192 Q193 I197 K198 E199 | D191-Q195 WeakPolarHBondContact O-CB 3.49Å; D191-Q195 PolarHBondContact O-N 2.89Å; N192-Q195 WeakPolarHBondContact O-CB 3.38Å; N192-Q195 PolarHBondContact O-N 2.99Å; Q193-Q195 VanDerWaalsContact C-N 3.32Å; Q195-I197 PolarHBondContact O-N 2.96Å; Q195-K198 WeakPolarHBondContact O-CB 3.4Å; Q195-K198 PolarHBondContact O-N 2.9Å; Q195-E199 HydrophobicContact CG-CG 4.47Å; Q195-E199 VanDerWaalsContact CG-OE1 3.32Å; Q195-E199 WeakPolarHBondContact CG-OE1 3.24Å; Q195-E199 PolarHBondContact NE2-OE1 3.45Å; Q195-E199 WeakPolarHBondContact O-CG 3.45Å; Q195-E199 PolarHBondContact O-N 2.92Å |
| 196 | E | 91 | Very high | 87 | Confident | 80 Ų | 80 | 45.7 Ų | 45.7 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.5 | -42 | 178.7 | -73.9 | -176.8 | -160.3 | 0 | 0 | 112.9 | N192 Q193 S200 I351 | N192-E196 WeakPolarHBondContact O-CG 3.49Å; N192-E196 PolarHBondContact O-N 3.24Å; Q193-E196 PolarHBondContact O-N 3.43Å; E196-S200 WeakPolarHBondContact O-CB 3.28Å; E196-S200 PolarHBondContact O-N 2.96Å; E196-S200 VanDerWaalsContact O-N 3.15Å; E196-S200 PolarHBondContact O-OG 3Å; E196-I351 HydrophobicContact CB-CD1 3.98Å; E196-I351 HydrophobicContact CB-CG1 4.39Å |
| 197 | I | 90.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.2 | -36.1 | 178.5 | -155.8 | 167.8 | 0 | 0 | 0 | 111.6 | Q193 I194 Q195 S200 V201 L224 L235 V239 I351 | Q193-I197 PolarHBondContact O-N 2.8Å; I194-I197 WeakPolarHBondContact O-CG2 3.11Å; Q195-I197 PolarHBondContact O-N 2.96Å; I197-S200 PolarHBondContact O-N 2.89Å; I197-V201 HydrophobicContact CG1-CG2 4.17Å; I197-V201 WeakPolarHBondContact O-CB 3.48Å; I197-V201 PolarHBondContact O-N 3.43Å; I197-L224 HydrophobicContact CD1-CD1 4.17Å; I197-L224 HydrophobicContact CD1-CD2 3.81Å; I197-L235 HydrophobicContact CB-CD2 4.3Å; I197-L235 HydrophobicContact CD1-CD2 3.81Å; I197-L235 HydrophobicContact CD1-CG 4.06Å; I197-L235 HydrophobicContact CG2-CD1 4.19Å; I197-L235 HydrophobicContact CG2-CD2 3.85Å; I197-L235 HydrophobicContact CG2-CG 4.1Å; I197-V239 HydrophobicContact CD1-CG2 4.07Å; I197-V239 HydrophobicContact CG1-CG2 4.22Å; I197-V239 HydrophobicContact CG2-CG2 3.69Å; I197-I351 HydrophobicContact CB-CD1 3.8Å; I197-I351 HydrophobicContact CG1-CD1 4.24Å |
| 198 | K | 89.3 | Confident | 87 | Confident | 69 Ų | 69 | 49.4 Ų | 49.4 | 30% | 0.3 | 26% | 0.257 | S | S | . | . | I | π-helix | trans | -62.7 | -47.5 | 175.3 | -78.9 | 179.1 | 171.9 | -172.5 | 0 | 111.6 | Y184 I194 Q195 S200 E202 L203 | Y184-K198 HydrophobicContact CE1-CG 4.44Å; Y184-K198 HydrophobicContact CE2-CD 4.41Å; Y184-K198 WeakPolarHBondContact OH-CG 3.18Å; I194-K198 HydrophobicContact CG2-CD 3.97Å; I194-K198 HydrophobicContact CG2-CG 4.39Å; I194-K198 WeakPolarHBondContact O-CB 3.49Å; I194-K198 WeakPolarHBondContact O-CG 3.34Å; I194-K198 PolarHBondContact O-N 2.85Å; Q195-K198 WeakPolarHBondContact O-CB 3.4Å; Q195-K198 PolarHBondContact O-N 2.9Å; K198-S200 PolarHBondContact O-N 2.87Å; K198-E202 WeakPolarHBondContact O-CA 3.37Å; K198-E202 WeakPolarHBondContact O-CB 3.5Å; K198-E202 PolarHBondContact O-N 3.45Å; K198-L203 PolarHBondContact O-N 3.01Å |
| 199 | E | 88 | Confident | 87.2 | Confident | 83 Ų | 83 | 55.2 Ų | 55.2 | 39% | 0.388 | 28% | 0.282 | S | S | . | . | I | π-helix | trans | -62.3 | -27.6 | 176.6 | -71.4 | 174.5 | -168.7 | 0 | 0 | 112.2 | Q195 Y211 | Q195-E199 HydrophobicContact CG-CG 4.47Å; Q195-E199 VanDerWaalsContact CG-OE1 3.32Å; Q195-E199 WeakPolarHBondContact CG-OE1 3.24Å; Q195-E199 PolarHBondContact NE2-OE1 3.45Å; Q195-E199 WeakPolarHBondContact O-CG 3.45Å; Q195-E199 PolarHBondContact O-N 2.92Å; E199-Y211 PolarHBondContact O-OH 2.93Å |
| 200 | S | 86.5 | Confident | 87.4 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 4% | 0.035 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -89.5 | -34 | -176.9 | -54.4 | 0 | 0 | 0 | 0 | 114 | E196 I197 K198 P204 R349 | E196-S200 WeakPolarHBondContact O-CB 3.28Å; E196-S200 PolarHBondContact O-N 2.96Å; E196-S200 VanDerWaalsContact O-N 3.15Å; E196-S200 PolarHBondContact O-OG 3Å; I197-S200 PolarHBondContact O-N 2.89Å; K198-S200 PolarHBondContact O-N 2.87Å; S200-P204 WeakPolarHBondContact O-CG 3.46Å; S200-R349 WeakPolarHBondContact OG-CG 3.38Å |
| 201 | V | 85.8 | Confident | 87.5 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -113.6 | -46 | -171.9 | -177.6 | 0 | 0 | 0 | 0 | 112.1 | I197 L205 V222 V239 I281 K326 I328 | I197-V201 HydrophobicContact CG1-CG2 4.17Å; I197-V201 WeakPolarHBondContact O-CB 3.48Å; I197-V201 PolarHBondContact O-N 3.43Å; V201-L205 WeakPolarHBondContact O-CD1 3.44Å; V201-L205 WeakPolarHBondContact O-CG 3.44Å; V201-V222 HydrophobicContact CG2-CG2 4.05Å; V201-V239 HydrophobicContact CB-CG1 4.1Å; V201-V239 HydrophobicContact CG1-CG1 3.8Å; V201-I281 HydrophobicContact CG1-CD1 3.64Å; V201-I281 HydrophobicContact CG1-CG1 4.13Å; V201-K326 HydrophobicContact CG1-CB 4.29Å; V201-K326 HydrophobicContact CG1-CG 4.45Å; V201-I328 HydrophobicContact CG1-CD1 4.49Å; V201-I328 HydrophobicContact CG2-CD1 4.14Å; V201-I328 HydrophobicContact CG2-CG1 4.25Å |
| 202 | E | 86 | Confident | 87.4 | Confident | 43 Ų | 43 | 62.4 Ų | 62.4 | 20% | 0.201 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -80.8 | -39.5 | -175.1 | -174.1 | 179.2 | 148.4 | 0 | 0 | 111.7 | Y184 K198 L205 T206 T243 | Y184-E202 PolarHBondContact OH-OE2 3.21Å; K198-E202 WeakPolarHBondContact O-CA 3.37Å; K198-E202 WeakPolarHBondContact O-CB 3.5Å; K198-E202 PolarHBondContact O-N 3.45Å; E202-L205 PolarHBondContact O-N 3.47Å; E202-T206 HydrophobicContact CG-CG2 4.08Å; E202-T206 WeakPolarHBondContact O-CB 3.46Å; E202-T206 WeakPolarHBondContact O-CG2 3.32Å; E202-T206 PolarHBondContact O-N 3.43Å; E202-T206 PolarHBondContact O-OG1 2.9Å; E202-T243 HydrophobicContact CB-CG2 3.93Å; E202-T243 HydrophobicContact CG-CG2 3.96Å |
| 203 | L | 86.1 | Confident | 87.5 | Confident | 55 Ų | 55 | 64.8 Ų | 64.8 | 29% | 0.288 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | -176.9 | -166 | 66.5 | 0 | 0 | 0 | 113.2 | K198 L205 T206 H207 Y210 Y211 | K198-L203 PolarHBondContact O-N 3.01Å; L203-L205 PolarHBondContact O-N 3.29Å; L203-T206 PolarHBondContact O-N 3.02Å; L203-T206 PolarHBondContact O-OG1 3.46Å; L203-H207 CarbonylContact O-C 3.46Å; L203-H207 PolarHBondContact O-N 3.3Å; L203-Y210 HydrophobicContact CD1-CD2 4.13Å; L203-Y210 HydrophobicContact CD1-CE2 4.45Å; L203-Y211 HydrophobicContact CB-CE2 4.41Å; L203-Y211 HydrophobicContact CD2-CE2 4.29Å; L203-Y211 HydrophobicContact CG-CE2 4.08Å |
| 204 | P | 85.2 | Confident | 87.5 | Confident | 6 Ų | 6 | 69.8 Ų | 69.8 | 4% | 0.039 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.8 | -31.8 | 175.6 | -23.5 | 34.3 | 0 | 0 | 0 | 113.7 | S200 Y211 P218 | S200-P204 WeakPolarHBondContact O-CG 3.46Å; P204-Y211 HydrophobicContact CB-CE2 4.11Å; P204-Y211 HydrophobicContact CG-CE2 3.81Å; P204-P218 HydrophobicContact CB-CB 3.98Å; P204-P218 HydrophobicContact CG-CB 4.08Å |
| 205 | L | 82.4 | Confident | 87.3 | Confident | 39 Ų | 39 | 72.3 Ų | 72.3 | 20% | 0.204 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -81.3 | -33.2 | -178.2 | -67.6 | 177.4 | 0 | 0 | 0 | 112.7 | V201 E202 L203 T243 A245 P279 I281 D324 | V201-L205 WeakPolarHBondContact O-CD1 3.44Å; V201-L205 WeakPolarHBondContact O-CG 3.44Å; E202-L205 PolarHBondContact O-N 3.47Å; L203-L205 PolarHBondContact O-N 3.29Å; L205-T243 HydrophobicContact CD1-CG2 4.07Å; L205-A245 HydrophobicContact CD1-CB 4.24Å; L205-P279 HydrophobicContact CD2-CB 3.57Å; L205-I281 HydrophobicContact CD1-CD1 4.35Å; L205-I281 HydrophobicContact CD1-CG1 4.47Å; L205-D324 HydrophobicContact CD2-CB 4.13Å |
| 206 | T | 83.2 | Confident | 87.1 | Confident | 69 Ų | 69 | 71.4 Ų | 71.4 | 42% | 0.423 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -86.9 | -38.6 | -177.7 | 53.5 | 0 | 0 | 0 | 0 | 112.6 | E202 L203 | E202-T206 HydrophobicContact CG-CG2 4.08Å; E202-T206 WeakPolarHBondContact O-CB 3.46Å; E202-T206 WeakPolarHBondContact O-CG2 3.32Å; E202-T206 PolarHBondContact O-N 3.43Å; E202-T206 PolarHBondContact O-OG1 2.9Å; L203-T206 PolarHBondContact O-N 3.02Å; L203-T206 PolarHBondContact O-OG1 3.46Å |
| 207 | H | 85.3 | Confident | 86.8 | Confident | 84 Ų | 84 | 75.6 Ų | 75.6 | 39% | 0.389 | 38% | 0.38 | S | S | . | . | trans | -141.2 | 76.1 | -174.7 | -58.6 | 87.6 | 0 | 0 | 0 | 110.7 | L203 E209 Y210 | L203-H207 CarbonylContact O-C 3.46Å; L203-H207 PolarHBondContact O-N 3.3Å; H207-E209 PolarHBondContact O-N 3.42Å; H207-Y210 HydrophobicContact CB-CD2 3.42Å; H207-Y210 VanDerWaalsContact CB-CD2 3.42Å; H207-Y210 HydrophobicContact CB-CE2 3.54Å; H207-Y210 HydrophobicContact CB-CG 4.27Å; H207-Y210 AromaticContact CG-CE2 3.68Å; H207-Y210 PolarHBondContact O-N 2.82Å | ||
| 208 | P | 83.8 | Confident | 86.5 | Confident | 63 Ų | 63 | 78.1 Ų | 78.1 | 41% | 0.409 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -28.4 | 175.1 | 25.2 | -33.9 | 0 | 0 | 0 | 112.3 | Y210 Y211 E212 | P208-Y210 PolarHBondContact O-N 3.02Å; P208-Y211 PolarHBondContact O-N 3.38Å; P208-E212 PolarHBondContact O-N 3.14Å |
| 209 | E | 88.6 | Confident | 86.2 | Confident | 128 Ų | 128 | 75.8 Ų | 75.8 | 60% | 0.598 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -52.6 | -38.5 | 179.8 | -59.1 | 178.7 | -172.8 | 0 | 0 | 112.8 | H207 Y211 E212 E213 | H207-E209 PolarHBondContact O-N 3.42Å; E209-Y211 VanDerWaalsContact C-N 3.26Å; E209-Y211 PolarHBondContact O-N 3.1Å; E209-E212 PolarHBondContact O-N 3.38Å; E209-E213 WeakPolarHBondContact O-CG 3.02Å; E209-E213 PolarHBondContact O-N 2.95Å |
| 210 | Y | 89.2 | Confident | 85.9 | Confident | 127 Ų | 127 | 75.1 Ų | 75.1 | 50% | 0.498 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64 | -30.8 | 179.2 | -66.2 | -37.7 | 0 | 0 | 0 | 113.3 | L203 H207 P208 M214 | L203-Y210 HydrophobicContact CD1-CD2 4.13Å; L203-Y210 HydrophobicContact CD1-CE2 4.45Å; H207-Y210 HydrophobicContact CB-CD2 3.42Å; H207-Y210 VanDerWaalsContact CB-CD2 3.42Å; H207-Y210 HydrophobicContact CB-CE2 3.54Å; H207-Y210 HydrophobicContact CB-CG 4.27Å; H207-Y210 AromaticContact CG-CE2 3.68Å; H207-Y210 PolarHBondContact O-N 2.82Å; P208-Y210 PolarHBondContact O-N 3.02Å; Y210-M214 VanDerWaalsContact O-CB 3.28Å; Y210-M214 WeakPolarHBondContact O-CB 3.02Å; Y210-M214 PolarHBondContact O-N 3.45Å |
| 211 | Y | 86.5 | Confident | 85.9 | Confident | 27 Ų | 27 | 75 Ų | 75 | 11% | 0.106 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -79.1 | -37 | 176.9 | -68.8 | -88.1 | 0 | 0 | 0 | 111.3 | E199 L203 P204 P208 E209 G215 I216 P218 | E199-Y211 PolarHBondContact O-OH 2.93Å; L203-Y211 HydrophobicContact CB-CE2 4.41Å; L203-Y211 HydrophobicContact CD2-CE2 4.29Å; L203-Y211 HydrophobicContact CG-CE2 4.08Å; P204-Y211 HydrophobicContact CB-CE2 4.11Å; P204-Y211 HydrophobicContact CG-CE2 3.81Å; P208-Y211 PolarHBondContact O-N 3.38Å; E209-Y211 VanDerWaalsContact C-N 3.26Å; E209-Y211 PolarHBondContact O-N 3.1Å; Y211-G215 PolarHBondContact O-N 3.4Å; Y211-I216 HydrophobicContact CD1-CD1 3.87Å; Y211-I216 HydrophobicContact CD1-CG1 3.93Å; Y211-I216 HydrophobicContact CE1-CD1 4.18Å; Y211-I216 PolarHBondContact O-N 2.84Å; Y211-I216 VanDerWaalsContact O-N 3.12Å; Y211-P218 HydrophobicContact CD1-CB 3.91Å; Y211-P218 HydrophobicContact CD2-CB 4.47Å; Y211-P218 HydrophobicContact CE1-CB 4.11Å; Y211-P218 HydrophobicContact CG-CB 4.12Å |
| 212 | E | 85.9 | Confident | 86.1 | Confident | 155 Ų | 155 | 75 Ų | 75 | 72% | 0.724 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -66.6 | -47 | 177 | -66.2 | -173.3 | 172.6 | 0 | 0 | 112.1 | P208 E209 M214 G215 | P208-E212 PolarHBondContact O-N 3.14Å; E209-E212 PolarHBondContact O-N 3.38Å; E212-M214 VanDerWaalsContact C-N 3.3Å; E212-M214 PolarHBondContact O-N 2.95Å; E212-G215 PolarHBondContact O-N 3.48Å; E212-G215 VanDerWaalsContact O-N 3.09Å |
| 213 | E | 91.6 | Very high | 86.3 | Confident | 165 Ų | 165 | 73 Ų | 73 | 77% | 0.771 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.6 | -37.9 | 177.6 | -73.3 | -171 | 161.5 | 0 | 0 | 112.3 | E209 G215 | E209-E213 WeakPolarHBondContact O-CG 3.02Å; E209-E213 PolarHBondContact O-N 2.95Å; E213-G215 VanDerWaalsContact C-N 3.29Å |
| 214 | M | 90.6 | Very high | 86.6 | Confident | 139 Ų | 139 | 70.4 Ų | 70.4 | 69% | 0.685 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -78.4 | -15.8 | 177.6 | -169.4 | 65.4 | -162.9 | 0 | 0 | 112.4 | Y210 E212 I216 | Y210-M214 VanDerWaalsContact O-CB 3.28Å; Y210-M214 WeakPolarHBondContact O-CB 3.02Å; Y210-M214 PolarHBondContact O-N 3.45Å; E212-M214 VanDerWaalsContact C-N 3.3Å; E212-M214 PolarHBondContact O-N 2.95Å; M214-I216 VanDerWaalsContact C-N 3.28Å; M214-I216 HydrophobicContact CB-CG1 3.98Å; M214-I216 HydrophobicContact CG-CD1 4.15Å; M214-I216 HydrophobicContact CG-CG1 3.9Å; M214-I216 HydrophobicContact CG-CG2 4.11Å; M214-I216 PolarHBondContact O-N 3.26Å |
| 215 | G | 87.3 | Confident | 87 | Confident | 70 Ų | 70 | 72.4 Ų | 72.4 | 72% | 0.722 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 23.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y211 E212 E213 | Y211-G215 PolarHBondContact O-N 3.4Å; E212-G215 PolarHBondContact O-N 3.48Å; E212-G215 VanDerWaalsContact O-N 3.09Å; E213-G215 VanDerWaalsContact C-N 3.29Å |
| 216 | I | 87.3 | Confident | 87.4 | Confident | 91 Ų | 91 | 71.1 Ų | 71.1 | 47% | 0.467 | 36% | 0.364 | S | S | . | . | trans | -105.2 | 141.7 | 179 | 56.3 | 163.2 | 0 | 0 | 0 | 110.4 | Y211 M214 | Y211-I216 HydrophobicContact CD1-CD1 3.87Å; Y211-I216 HydrophobicContact CD1-CG1 3.93Å; Y211-I216 HydrophobicContact CE1-CD1 4.18Å; Y211-I216 PolarHBondContact O-N 2.84Å; Y211-I216 VanDerWaalsContact O-N 3.12Å; M214-I216 VanDerWaalsContact C-N 3.28Å; M214-I216 HydrophobicContact CB-CG1 3.98Å; M214-I216 HydrophobicContact CG-CD1 4.15Å; M214-I216 HydrophobicContact CG-CG1 3.9Å; M214-I216 HydrophobicContact CG-CG2 4.11Å; M214-I216 PolarHBondContact O-N 3.26Å | ||
| 217 | K | 82.6 | Confident | 87.6 | Confident | 168 Ų | 168 | 70 Ų | 70 | 73% | 0.73 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 134.5 | 172.7 | -67.1 | -172.7 | 177.2 | -171.8 | 0 | 109.3 | ||
| 218 | P | 84.4 | Confident | 87.6 | Confident | 53 Ų | 53 | 70.4 Ų | 70.4 | 34% | 0.344 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 148.2 | 175.7 | 27.7 | -34.5 | 0 | 0 | 0 | 110.2 | P204 Y211 | P204-P218 HydrophobicContact CB-CB 3.98Å; P204-P218 HydrophobicContact CG-CB 4.08Å; Y211-P218 HydrophobicContact CD1-CB 3.91Å; Y211-P218 HydrophobicContact CD2-CB 4.47Å; Y211-P218 HydrophobicContact CE1-CB 4.11Å; Y211-P218 HydrophobicContact CG-CB 4.12Å |
| 219 | P | 83.9 | Confident | 87.7 | Confident | 20 Ų | 20 | 68.9 Ų | 68.9 | 13% | 0.13 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 140.7 | 176.9 | 26.1 | -33.1 | 0 | 0 | 0 | 110.4 | K326 D348 | P219-K326 PolarHBondContact O-NZ 3.41Å; P219-D348 WeakPolarHBondContact CA-OD2 2.95Å; P219-D348 HydrophobicContact CB-CB 3.75Å |
| 220 | K | 81.2 | Confident | 87.5 | Confident | 69 Ų | 69 | 63.5 Ų | 63.5 | 30% | 0.3 | 34% | 0.34 | S | S | . | . | trans | -90.1 | -42.1 | -177.1 | -64.6 | -171.1 | -178.7 | -170.1 | 0 | 112.3 | F319 V327 D348 | K220-F319 PolarHBondContact NZ-O 3.16Å; K220-V327 PolarHBondContact O-N 3.26Å; K220-D348 PolarHBondContact N-OD2 2.85Å | ||
| 221 | G | 86.1 | Confident | 87.3 | Confident | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 146.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V327 D348 R349 | G221-V327 VanDerWaalsContact CA-O 3.29Å; G221-V327 WeakPolarHBondContact CA-O 3.2Å; G221-D348 PolarHBondContact O-N 2.91Å; G221-D348 VanDerWaalsContact O-N 3.12Å; G221-R349 PolarHBondContact O-N 2.95Å |
| 222 | V | 90 | Very high | 87.4 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 130.5 | 177.2 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | V201 L224 V327 I328 M329 R349 I351 | V201-V222 HydrophobicContact CG2-CG2 4.05Å; V222-L224 HydrophobicContact CG1-CD2 3.88Å; V222-V327 PolarHBondContact N-O 2.95Å; V222-I328 WeakPolarHBondContact O-CA 3.37Å; V222-M329 PolarHBondContact O-N 3.17Å; V222-R349 WeakPolarHBondContact CA-O 3.43Å; V222-R349 HydrophobicContact CG1-CB 4.31Å; V222-R349 HydrophobicContact CG2-CB 4.31Å; V222-I351 HydrophobicContact CG1-CD1 3.59Å; V222-I351 HydrophobicContact CG1-CG1 3.92Å |
| 223 | I | 91.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 131.8 | 166.5 | -76.4 | 174 | 0 | 0 | 0 | 109.8 | Y225 M329 T331 I347 R349 I351 | I223-Y225 HydrophobicContact CG2-CD1 4.13Å; I223-M329 CarbonylContact C-O 3.55Å; I223-M329 WeakPolarHBondContact CA-O 3.25Å; I223-M329 HydrophobicContact CG1-CB 3.99Å; I223-M329 HydrophobicContact CG1-SD 4.47Å; I223-T331 HydrophobicContact CG2-CG2 4.13Å; I223-I347 HydrophobicContact CB-CG2 4.15Å; I223-I347 HydrophobicContact CD1-CB 4.47Å; I223-I347 HydrophobicContact CD1-CD1 3.16Å; I223-I347 HydrophobicContact CD1-CG1 4.32Å; I223-I347 HydrophobicContact CD1-CG2 3.9Å; I223-I347 HydrophobicContact CG1-CD1 3.56Å; I223-I347 HydrophobicContact CG1-CG1 4.48Å; I223-I347 HydrophobicContact CG1-CG2 3.69Å; I223-R349 PolarHBondContact N-O 2.96Å; I223-I351 PolarHBondContact O-N 2.6Å |
| 224 | L | 92.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 117.9 | 168.8 | -50.2 | -176.6 | 0 | 0 | 0 | 109.1 | I197 V222 K232 A236 I328 M329 A330 T331 I351 F353 | I197-L224 HydrophobicContact CD1-CD1 4.17Å; I197-L224 HydrophobicContact CD1-CD2 3.81Å; V222-L224 HydrophobicContact CG1-CD2 3.88Å; L224-K232 HydrophobicContact CB-CB 4.2Å; L224-K232 HydrophobicContact CB-CD 4.3Å; L224-K232 HydrophobicContact CB-CG 4.35Å; L224-K232 HydrophobicContact CD1-CB 4.39Å; L224-A236 HydrophobicContact CD1-CB 4.49Å; L224-I328 HydrophobicContact CD1-CG2 3.82Å; L224-I328 HydrophobicContact CG-CG2 4.05Å; L224-M329 PolarHBondContact N-O 3.24Å; L224-A330 WeakPolarHBondContact O-CA 3.5Å; L224-T331 PolarHBondContact O-N 2.93Å; L224-I351 HydrophobicContact CD2-CB 3.96Å; L224-I351 HydrophobicContact CD2-CD1 3.99Å; L224-I351 HydrophobicContact CD2-CG1 4.34Å; L224-F353 HydrophobicContact CB-CD2 4.38Å; L224-F353 HydrophobicContact CB-CE2 3.65Å; L224-F353 HydrophobicContact CB-CZ 4.38Å; L224-F353 HydrophobicContact CD1-CE2 4.39Å; L224-F353 HydrophobicContact CD1-CZ 4.34Å; L224-F353 HydrophobicContact CD2-CE2 3.78Å; L224-F353 HydrophobicContact CD2-CZ 4.17Å; L224-F353 HydrophobicContact CG-CE2 4.12Å |
| 225 | Y | 92.6 | Very high | 87.2 | Confident | 47 Ų | 47 | 41.2 Ų | 41.2 | 18% | 0.184 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 158.3 | -178.9 | 72.4 | -80 | 0 | 0 | 0 | 113.2 | I223 T331 I334 K350 I351 E352 F353 | I223-Y225 HydrophobicContact CG2-CD1 4.13Å; Y225-T331 WeakPolarHBondContact CA-O 3.24Å; Y225-I334 HydrophobicContact CD1-CD1 3.84Å; Y225-I334 HydrophobicContact CD2-CB 3.97Å; Y225-I334 HydrophobicContact CD2-CD1 4.04Å; Y225-I334 HydrophobicContact CD2-CG2 3.78Å; Y225-I334 HydrophobicContact CE1-CD1 4.06Å; Y225-I334 HydrophobicContact CE2-CD1 4.23Å; Y225-I334 HydrophobicContact CE2-CG2 4.12Å; Y225-I334 HydrophobicContact CG-CB 4.11Å; Y225-I334 HydrophobicContact CG-CD1 3.82Å; Y225-I334 HydrophobicContact CG-CG2 4.42Å; Y225-K350 HydrophobicContact CE1-CB 3.92Å; Y225-I351 VanDerWaalsContact CD1-O 3.23Å; Y225-I351 WeakPolarHBondContact CD1-O 3.47Å; Y225-I351 PolarHBondContact N-O 2.86Å; Y225-E352 HydrophobicContact CD2-CG 4.25Å; Y225-E352 HydrophobicContact CE1-CB 3.95Å; Y225-E352 HydrophobicContact CE2-CB 3.88Å; Y225-E352 HydrophobicContact CE2-CG 3.64Å; Y225-F353 WeakPolarHBondContact O-CD2 3.19Å; Y225-F353 PolarHBondContact O-N 2.89Å |
| 226 | G | 89.9 | Confident | 87.2 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 12% | 0.124 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 147.3 | -174.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K232 N332 | G226-K232 VanDerWaalsContact C-NZ 3.3Å; G226-K232 VanDerWaalsContact N-CE 3.27Å; G226-K232 VanDerWaalsContact N-NZ 3.11Å; G226-K232 PolarHBondContact O-NZ 2.78Å; G226-N332 CarbonylContact O-C 3.54Å |
| 227 | P | 87.6 | Confident | 87.1 | Confident | 46 Ų | 46 | 36.3 Ų | 36.3 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -67.6 | 157.2 | 176.4 | 22.5 | -20.8 | 0 | 0 | 0 | 111.9 | T230 F353 L355 | P227-T230 HydrophobicContact CG-CG2 3.76Å; P227-T230 PolarHBondContact O-OG1 3.37Å; P227-F353 WeakPolarHBondContact CD-O 3.45Å; P227-L355 HydrophobicContact CB-CD2 4.49Å; P227-L355 HydrophobicContact CG-CD2 3.89Å; P227-L355 HydrophobicContact CG-CG 4.09Å |
| 228 | P | 86.9 | Confident | 87.3 | Confident | 92 Ų | 92 | 28.3 Ų | 28.3 | 60% | 0.597 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 150 | 175.1 | 28.6 | -34.8 | 0 | 0 | 0 | 110.9 | ||
| 229 | G | 84.6 | Confident | 87.4 | Confident | 32 Ų | 32 | 25.8 Ų | 25.8 | 33% | 0.33 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 9.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116 | G392 A393 | G229-G392 WeakPolarHBondContact O-CA 3.5Å; G229-G392 PolarHBondContact O-N 3.33Å; G229-A393 PolarHBondContact O-N 2.78Å |
| 230 | T | 85.6 | Confident | 87.5 | Confident | 15 Ų | 15 | 25.1 Ų | 25.1 | 9% | 0.092 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -86.6 | -4.2 | 173.9 | 52.2 | 0 | 0 | 0 | 0 | 114.4 | P227 F353 | P227-T230 HydrophobicContact CG-CG2 3.76Å; P227-T230 PolarHBondContact O-OG1 3.37Å; T230-F353 HydrophobicContact CG2-CB 4.4Å; T230-F353 WeakPolarHBondContact OG1-CB 3.37Å |
| 231 | G | 84.9 | Confident | 87.7 | Confident | 32 Ų | 32 | 24.1 Ų | 24.1 | 33% | 0.33 | 15% | 0.151 | S | C | . | . | trans | 91.4 | 21.4 | 173 | 0 | 0 | 0 | 0 | 0 | 116 | T233 L234 L235 | G231-T233 PolarHBondContact O-N 2.81Å; G231-L234 CarbonylContact O-C 3.52Å; G231-L234 WeakPolarHBondContact O-CA 3.41Å; G231-L234 WeakPolarHBondContact O-CB 3.32Å; G231-L234 PolarHBondContact O-N 2.88Å; G231-L235 PolarHBondContact O-N 3.11Å | ||
| 232 | K | 88 | Confident | 87.7 | Confident | 10 Ų | 10 | 28.4 Ų | 28.4 | 4% | 0.043 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -53.2 | -50.4 | 177 | -56.2 | 178.4 | -160 | 155.3 | 0 | 113.3 | L224 G226 L234 L235 A236 T331 N332 F353 | L224-K232 HydrophobicContact CB-CB 4.2Å; L224-K232 HydrophobicContact CB-CD 4.3Å; L224-K232 HydrophobicContact CB-CG 4.35Å; L224-K232 HydrophobicContact CD1-CB 4.39Å; G226-K232 VanDerWaalsContact C-NZ 3.3Å; G226-K232 VanDerWaalsContact N-CE 3.27Å; G226-K232 VanDerWaalsContact N-NZ 3.11Å; G226-K232 PolarHBondContact O-NZ 2.78Å; K232-L234 PolarHBondContact O-N 3.22Å; K232-L235 PolarHBondContact O-N 3.32Å; K232-A236 PolarHBondContact O-N 3.21Å; K232-A236 VanDerWaalsContact O-N 3.12Å; K232-T331 PolarHBondContact NZ-O 3.24Å; K232-N332 PolarHBondContact NZ-OD1 2.95Å; K232-F353 HydrophobicContact CB-CZ 4.47Å; K232-F353 HydrophobicContact CD-CD2 4.31Å; K232-F353 HydrophobicContact CG-CB 4.42Å; K232-F353 HydrophobicContact CG-CD1 4.09Å; K232-F353 HydrophobicContact CG-CD2 3.74Å; K232-F353 HydrophobicContact CG-CE1 4.27Å; K232-F353 HydrophobicContact CG-CE2 3.95Å; K232-F353 HydrophobicContact CG-CG 3.81Å; K232-F353 HydrophobicContact CG-CZ 4.18Å |
| 233 | T | 86.3 | Confident | 87.2 | Confident | 42 Ų | 42 | 29.4 Ų | 29.4 | 26% | 0.258 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.6 | -30.1 | 176.6 | -45 | 0 | 0 | 0 | 0 | 111.9 | G231 K237 F283 D285 | G231-T233 PolarHBondContact O-N 2.81Å; T233-K237 VanDerWaalsContact O-CG 3.32Å; T233-K237 WeakPolarHBondContact O-CG 3.42Å; T233-K237 PolarHBondContact O-N 2.84Å; T233-F283 HydrophobicContact CG2-CE1 3.96Å; T233-F283 HydrophobicContact CG2-CZ 4.1Å; T233-D285 WeakPolarHBondContact CG2-OD2 3.4Å; T233-D285 PolarHBondContact OG1-OD2 2.84Å |
| 234 | L | 88.2 | Confident | 86.6 | Confident | 57 Ų | 57 | 34.8 Ų | 34.8 | 30% | 0.298 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -73.7 | -41 | 178.1 | -165.5 | 156.6 | 0 | 0 | 0 | 110.6 | E182 I187 G231 K232 K237 A238 | E182-L234 HydrophobicContact CG-CG 4.47Å; I187-L234 HydrophobicContact CD1-CD2 3.69Å; I187-L234 HydrophobicContact CG1-CD2 3.42Å; I187-L234 VanDerWaalsContact CG1-CD2 3.42Å; G231-L234 CarbonylContact O-C 3.52Å; G231-L234 WeakPolarHBondContact O-CA 3.41Å; G231-L234 WeakPolarHBondContact O-CB 3.32Å; G231-L234 PolarHBondContact O-N 2.88Å; K232-L234 PolarHBondContact O-N 3.22Å; L234-K237 PolarHBondContact O-N 3.12Å; L234-A238 WeakPolarHBondContact O-CB 3.5Å; L234-A238 PolarHBondContact O-N 2.87Å |
| 235 | L | 89.3 | Confident | 86.1 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.7 | -47.1 | 174.5 | -173.3 | 65.5 | 0 | 0 | 0 | 111.6 | Y184 I187 I194 I197 G231 K232 K237 A238 V239 F353 | Y184-L235 HydrophobicContact CE1-CD1 4.36Å; I187-L235 HydrophobicContact CD1-CB 4.26Å; I187-L235 HydrophobicContact CD1-CD1 3.5Å; I194-L235 HydrophobicContact CB-CD1 4.47Å; I194-L235 HydrophobicContact CG1-CD1 3.63Å; I197-L235 HydrophobicContact CB-CD2 4.3Å; I197-L235 HydrophobicContact CD1-CD2 3.81Å; I197-L235 HydrophobicContact CD1-CG 4.06Å; I197-L235 HydrophobicContact CG2-CD1 4.19Å; I197-L235 HydrophobicContact CG2-CD2 3.85Å; I197-L235 HydrophobicContact CG2-CG 4.1Å; G231-L235 PolarHBondContact O-N 3.11Å; K232-L235 PolarHBondContact O-N 3.32Å; L235-K237 VanDerWaalsContact C-N 3.29Å; L235-K237 PolarHBondContact O-N 3.33Å; L235-A238 PolarHBondContact O-N 3.24Å; L235-A238 VanDerWaalsContact O-N 3.12Å; L235-V239 WeakPolarHBondContact O-CG2 2.98Å; L235-V239 PolarHBondContact O-N 3.38Å; L235-F353 HydrophobicContact CB-CE1 4.47Å; L235-F353 HydrophobicContact CB-CZ 4.37Å; L235-F353 HydrophobicContact CD2-CE1 4.02Å; L235-F353 HydrophobicContact CD2-CZ 3.54Å |
| 236 | A | 86.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.4 | -41.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | L224 K232 A240 F283 I328 | L224-A236 HydrophobicContact CD1-CB 4.49Å; K232-A236 PolarHBondContact O-N 3.21Å; K232-A236 VanDerWaalsContact O-N 3.12Å; A236-A240 PolarHBondContact O-N 2.92Å; A236-A240 VanDerWaalsContact O-N 3.13Å; A236-F283 HydrophobicContact CB-CD2 3.48Å; A236-F283 VanDerWaalsContact CB-CD2 3.48Å; A236-F283 HydrophobicContact CB-CE1 4.45Å; A236-F283 HydrophobicContact CB-CE2 3.37Å; A236-F283 HydrophobicContact CB-CG 4.09Å; A236-F283 HydrophobicContact CB-CZ 3.91Å; A236-I328 HydrophobicContact CB-CG2 4.3Å |
| 237 | K | 85.6 | Confident | 85.5 | Confident | 59 Ų | 59 | 35.3 Ų | 35.3 | 26% | 0.257 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66 | -40 | 174.8 | -74.7 | 175.2 | -179.4 | 179.2 | 0 | 112.7 | P180 T233 L234 L235 A240 N241 | P180-K237 HydrophobicContact CB-CB 3.85Å; P180-K237 HydrophobicContact CB-CG 4.21Å; P180-K237 HydrophobicContact CG-CB 4.28Å; P180-K237 WeakPolarHBondContact CG-O 3.36Å; T233-K237 VanDerWaalsContact O-CG 3.32Å; T233-K237 WeakPolarHBondContact O-CG 3.42Å; T233-K237 PolarHBondContact O-N 2.84Å; L234-K237 PolarHBondContact O-N 3.12Å; L235-K237 VanDerWaalsContact C-N 3.29Å; L235-K237 PolarHBondContact O-N 3.33Å; K237-A240 PolarHBondContact O-N 3.12Å; K237-N241 PolarHBondContact O-N 3.26Å; K237-N241 VanDerWaalsContact O-N 3.12Å |
| 238 | A | 87.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.9 | -38 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y184 I187 L234 L235 N241 Q242 | Y184-A238 HydrophobicContact CD1-CB 4.14Å; Y184-A238 HydrophobicContact CE1-CB 4.37Å; I187-A238 HydrophobicContact CD1-CB 3.79Å; L234-A238 WeakPolarHBondContact O-CB 3.5Å; L234-A238 PolarHBondContact O-N 2.87Å; L235-A238 PolarHBondContact O-N 3.24Å; L235-A238 VanDerWaalsContact O-N 3.12Å; A238-N241 PolarHBondContact O-N 2.96Å; A238-Q242 WeakPolarHBondContact O-CG 3.42Å; A238-Q242 PolarHBondContact O-N 2.99Å |
| 239 | V | 87.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.6 | -46.3 | 174 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | Y184 I197 V201 L235 N241 Q242 T243 | Y184-V239 HydrophobicContact CE1-CG2 3.9Å; Y184-V239 WeakPolarHBondContact OH-CG2 3.42Å; I197-V239 HydrophobicContact CD1-CG2 4.07Å; I197-V239 HydrophobicContact CG1-CG2 4.22Å; I197-V239 HydrophobicContact CG2-CG2 3.69Å; V201-V239 HydrophobicContact CB-CG1 4.1Å; V201-V239 HydrophobicContact CG1-CG1 3.8Å; L235-V239 WeakPolarHBondContact O-CG2 2.98Å; L235-V239 PolarHBondContact O-N 3.38Å; V239-N241 VanDerWaalsContact C-N 3.3Å; V239-N241 PolarHBondContact O-N 3.03Å; V239-Q242 PolarHBondContact O-N 3.5Å; V239-T243 HydrophobicContact CG1-CG2 4.35Å; V239-T243 PolarHBondContact O-N 3.34Å; V239-T243 PolarHBondContact O-OG1 3.32Å |
| 240 | A | 84.9 | Confident | 85.8 | Confident | 5 Ų | 5 | 31.5 Ų | 31.5 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.1 | -36.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P180 A236 K237 Q242 F247 | P180-A240 HydrophobicContact CG-CB 3.97Å; A236-A240 PolarHBondContact O-N 2.92Å; A236-A240 VanDerWaalsContact O-N 3.13Å; K237-A240 PolarHBondContact O-N 3.12Å; A240-Q242 PolarHBondContact O-N 2.92Å; A240-F247 HydrophobicContact CB-CB 4.03Å; A240-F247 HydrophobicContact CB-CD1 4.46Å; A240-F247 HydrophobicContact CB-CD2 3.3Å; A240-F247 HydrophobicContact CB-CE2 3.75Å; A240-F247 HydrophobicContact CB-CG 3.69Å; A240-F247 HydrophobicContact CB-CZ 4.5Å |
| 241 | N | 85.5 | Confident | 86 | Confident | 48 Ų | 48 | 32 Ų | 32 | 26% | 0.257 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.6 | -28.4 | 176.1 | -169.3 | 22 | 0 | 0 | 0 | 112.4 | P180 E182 K237 A238 V239 | P180-N241 HydrophobicContact CG-CB 4.19Å; P180-N241 WeakPolarHBondContact O-CB 3.45Å; P180-N241 PolarHBondContact O-ND2 3.35Å; P180-N241 PolarHBondContact O-OD1 3.49Å; E182-N241 WeakPolarHBondContact O-CB 3.39Å; E182-N241 PolarHBondContact O-ND2 3.06Å; K237-N241 PolarHBondContact O-N 3.26Å; K237-N241 VanDerWaalsContact O-N 3.12Å; A238-N241 PolarHBondContact O-N 2.96Å; V239-N241 VanDerWaalsContact C-N 3.3Å; V239-N241 PolarHBondContact O-N 3.03Å |
| 242 | Q | 85.3 | Confident | 86.1 | Confident | 93 Ų | 93 | 30.5 Ų | 30.5 | 44% | 0.435 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -89.4 | -35.1 | -174.3 | -72.8 | -89 | -3.8 | 0 | 0 | 112.5 | Y184 A238 V239 A240 S244 | Y184-Q242 HydrophobicContact CD2-CB 4.44Å; Y184-Q242 HydrophobicContact CD2-CG 3.6Å; Y184-Q242 HydrophobicContact CE2-CB 3.68Å; Y184-Q242 HydrophobicContact CE2-CG 3.33Å; A238-Q242 WeakPolarHBondContact O-CG 3.42Å; A238-Q242 PolarHBondContact O-N 2.99Å; V239-Q242 PolarHBondContact O-N 3.5Å; A240-Q242 PolarHBondContact O-N 2.92Å; Q242-S244 VanDerWaalsContact C-N 3.29Å; Q242-S244 PolarHBondContact O-N 3.39Å |
| 243 | T | 80.1 | Confident | 86 | Confident | 24 Ų | 24 | 33 Ų | 33 | 15% | 0.147 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -77.4 | -11 | 179.1 | 51.9 | 0 | 0 | 0 | 0 | 113.9 | E202 L205 V239 A245 I281 | E202-T243 HydrophobicContact CB-CG2 3.93Å; E202-T243 HydrophobicContact CG-CG2 3.96Å; L205-T243 HydrophobicContact CD1-CG2 4.07Å; V239-T243 HydrophobicContact CG1-CG2 4.35Å; V239-T243 PolarHBondContact O-N 3.34Å; V239-T243 PolarHBondContact O-OG1 3.32Å; T243-A245 PolarHBondContact O-N 3.14Å; T243-I281 HydrophobicContact CG2-CD1 4.34Å; T243-I281 VanDerWaalsContact OG1-CD1 3.25Å; T243-I281 WeakPolarHBondContact OG1-CD1 3.3Å |
| 244 | S | 79 | Confident | 86 | Confident | 114 Ų | 114 | 34.9 Ų | 34.9 | 80% | 0.797 | 19% | 0.19 | S | C | * | . | trans | 48.8 | 20.1 | -174.4 | -56.8 | 0 | 0 | 0 | 0 | 114.3 | Q242 | Q242-S244 VanDerWaalsContact C-N 3.29Å; Q242-S244 PolarHBondContact O-N 3.39Å | ||
| 245 | A | 81.6 | Confident | 85.8 | Confident | 15 Ų | 15 | 32.1 Ų | 32.1 | 12% | 0.124 | 18% | 0.176 | C | C | . | . | trans | -86.1 | 160.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L205 T243 F247 I281 | L205-A245 HydrophobicContact CD1-CB 4.24Å; T243-A245 PolarHBondContact O-N 3.14Å; A245-F247 PolarHBondContact O-N 3.12Å; A245-F247 VanDerWaalsContact O-N 3.12Å; A245-I281 HydrophobicContact CB-CD1 4.26Å; A245-I281 HydrophobicContact CB-CG1 4.3Å | ||
| 246 | T | 84 | Confident | 85.6 | Confident | 41 Ų | 41 | 35 Ų | 35 | 25% | 0.252 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 116.9 | 177.3 | -55 | 0 | 0 | 0 | 0 | 109.5 | L248 H277 P279 S280 I281 | T246-L248 HydrophobicContact CG2-CD2 4.3Å; T246-H277 HydrophobicContact CG2-CB 3.88Å; T246-H277 PolarHBondContact OG1-O 3.43Å; T246-P279 PolarHBondContact N-O 3.15Å; T246-S280 CarbonylContact O-C 3.57Å; T246-S280 VanDerWaalsContact O-CA 3.31Å; T246-S280 WeakPolarHBondContact O-CA 3.45Å; T246-I281 PolarHBondContact O-N 2.91Å |
| 247 | F | 87.7 | Confident | 85.5 | Confident | 13 Ų | 13 | 38 Ų | 38 | 6% | 0.057 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 112.7 | 180 | -175 | -107.7 | 0 | 0 | 0 | 110.9 | V176 A240 A245 R249 I281 F283 | V176-F247 HydrophobicContact CB-CD1 4.2Å; V176-F247 HydrophobicContact CG2-CD1 3.97Å; V176-F247 HydrophobicContact CG2-CE1 4.41Å; V176-F247 PolarHBondContact N-O 2.9Å; A240-F247 HydrophobicContact CB-CB 4.03Å; A240-F247 HydrophobicContact CB-CD1 4.46Å; A240-F247 HydrophobicContact CB-CD2 3.3Å; A240-F247 HydrophobicContact CB-CE2 3.75Å; A240-F247 HydrophobicContact CB-CG 3.69Å; A240-F247 HydrophobicContact CB-CZ 4.5Å; A245-F247 PolarHBondContact O-N 3.12Å; A245-F247 VanDerWaalsContact O-N 3.12Å; F247-R249 HydrophobicContact CD1-CB 4.35Å; F247-R249 HydrophobicContact CE1-CB 3.81Å; F247-R249 HydrophobicContact CE1-CG 4.48Å; F247-I281 HydrophobicContact CD2-CB 4.29Å; F247-I281 HydrophobicContact CD2-CG2 4.19Å; F247-I281 HydrophobicContact CE2-CG2 4.39Å; F247-F283 HydrophobicContact CD2-CB 4.45Å; F247-F283 HydrophobicContact CE1-CB 4.46Å; F247-F283 HydrophobicContact CE2-CB 3.42Å; F247-F283 VanDerWaalsContact CE2-CB 3.42Å; F247-F283 HydrophobicContact CE2-CG 4.12Å; F247-F283 HydrophobicContact CZ-CB 3.42Å; F247-F283 VanDerWaalsContact CZ-CB 3.42Å; F247-F283 AromaticContact CZ-CD1 3.78Å; F247-F283 HydrophobicContact CZ-CD1 3.78Å; F247-F283 AromaticContact CZ-CG 3.79Å; F247-F283 HydrophobicContact CZ-CG 3.79Å |
| 248 | L | 87.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 118.8 | 174.3 | -61 | 177.6 | 0 | 0 | 0 | 108.3 | K175 T246 L270 A274 I281 V282 F283 | K175-L248 HydrophobicContact CB-CD2 4.11Å; K175-L248 HydrophobicContact CG-CD2 4.15Å; T246-L248 HydrophobicContact CG2-CD2 4.3Å; L248-L270 HydrophobicContact CB-CD1 4.44Å; L248-L270 HydrophobicContact CD1-CD1 4.33Å; L248-A274 HydrophobicContact CD1-CB 3.59Å; L248-I281 PolarHBondContact N-O 3.48Å; L248-V282 HydrophobicContact CB-CG2 4.47Å; L248-V282 HydrophobicContact CD1-CG2 4.22Å; L248-F283 PolarHBondContact O-N 3.13Å |
| 249 | R | 88.9 | Confident | 85.2 | Confident | 91 Ų | 91 | 51.6 Ų | 51.6 | 34% | 0.343 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125.1 | 178.9 | 178.7 | 175.3 | -178.5 | -150.8 | -5.2 | 109.4 | M174 V176 F247 F283 | M174-R249 PolarHBondContact O-N 2.66Å; M174-R249 VanDerWaalsContact O-N 3.14Å; V176-R249 HydrophobicContact CG2-CB 3.55Å; F247-R249 HydrophobicContact CD1-CB 4.35Å; F247-R249 HydrophobicContact CE1-CB 3.81Å; F247-R249 HydrophobicContact CE1-CG 4.48Å; R249-F283 HydrophobicContact CG-CD1 4.19Å |
| 250 | V | 88.4 | Confident | 85 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 135.5 | 176.3 | -173.6 | 0 | 0 | 0 | 0 | 109 | M174 L255 L270 F283 I284 D285 | M174-V250 HydrophobicContact CB-CG2 4.22Å; M174-V250 HydrophobicContact CG-CG2 4.07Å; M174-V250 HydrophobicContact SD-CB 4.44Å; M174-V250 HydrophobicContact SD-CG1 4.18Å; M174-V250 HydrophobicContact SD-CG2 3.51Å; M174-V250 VanDerWaalsContact SD-CG2 3.51Å; V250-L255 HydrophobicContact CG1-CD1 4.35Å; V250-L255 HydrophobicContact CG1-CD2 3.94Å; V250-L255 HydrophobicContact CG1-CG 3.97Å; V250-L270 HydrophobicContact CG2-CD1 3.57Å; V250-L270 HydrophobicContact CG2-CD2 3.73Å; V250-L270 HydrophobicContact CG2-CG 4.3Å; V250-F283 PolarHBondContact N-O 3.43Å; V250-I284 WeakPolarHBondContact O-CA 3.36Å; V250-D285 PolarHBondContact O-N 3.42Å |
| 251 | V | 88.9 | Confident | 84.9 | Confident | 25 Ų | 25 | 58.4 Ų | 58.4 | 15% | 0.152 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 134.4 | 170.2 | -172 | 0 | 0 | 0 | 0 | 108.3 | S253 E254 | V251-S253 WeakPolarHBondContact CG1-OG 3.45Å; V251-S253 PolarHBondContact O-N 3.29Å; V251-E254 HydrophobicContact CB-CG 4.04Å; V251-E254 PolarHBondContact N-OE2 3.15Å; V251-E254 VanDerWaalsContact N-OE2 3.11Å; V251-E254 WeakPolarHBondContact O-CB 3.5Å; V251-E254 PolarHBondContact O-N 3.04Å |
| 252 | G | 86.1 | Confident | 85 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -54.9 | -29.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L255 D285 I290 | G252-L255 PolarHBondContact O-N 3.27Å; G252-D285 PolarHBondContact N-O 2.94Å; G252-I290 VanDerWaalsContact O-CG2 3.27Å; G252-I290 WeakPolarHBondContact O-CG2 3.31Å |
| 253 | S | 86.6 | Confident | 85 | Confident | 62 Ų | 62 | 54.4 Ų | 54.4 | 43% | 0.434 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -69.1 | -26.7 | 174.2 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | V251 L255 I256 | V251-S253 WeakPolarHBondContact CG1-OG 3.45Å; V251-S253 PolarHBondContact O-N 3.29Å; S253-L255 VanDerWaalsContact C-N 3.26Å; S253-L255 PolarHBondContact O-N 3.31Å; S253-I256 PolarHBondContact O-N 3.49Å |
| 254 | E | 86.4 | Confident | 85.4 | Confident | 82 Ų | 82 | 53.4 Ų | 53.4 | 38% | 0.383 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -72.6 | -22 | 180 | -67.2 | 169.8 | 166.5 | 0 | 0 | 112.2 | V251 I256 Q257 | V251-E254 HydrophobicContact CB-CG 4.04Å; V251-E254 PolarHBondContact N-OE2 3.15Å; V251-E254 VanDerWaalsContact N-OE2 3.11Å; V251-E254 WeakPolarHBondContact O-CB 3.5Å; V251-E254 PolarHBondContact O-N 3.04Å; E254-I256 PolarHBondContact O-N 3.43Å; E254-Q257 PolarHBondContact O-NE2 3.23Å |
| 255 | L | 84.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -73.8 | -12.2 | 174.3 | -61.9 | 175.8 | 0 | 0 | 0 | 112.7 | V250 G252 S253 L266 V267 I290 T308 L312 | V250-L255 HydrophobicContact CG1-CD1 4.35Å; V250-L255 HydrophobicContact CG1-CD2 3.94Å; V250-L255 HydrophobicContact CG1-CG 3.97Å; G252-L255 PolarHBondContact O-N 3.27Å; S253-L255 VanDerWaalsContact C-N 3.26Å; S253-L255 PolarHBondContact O-N 3.31Å; L255-L266 HydrophobicContact CD2-CD2 4.08Å; L255-L266 HydrophobicContact CD2-CG 4.34Å; L255-V267 HydrophobicContact CD2-CG2 3.98Å; L255-I290 HydrophobicContact CB-CG2 4.49Å; L255-I290 HydrophobicContact CD1-CD1 3.82Å; L255-T308 HydrophobicContact CB-CG2 4.13Å; L255-L312 HydrophobicContact CD1-CD1 4.03Å |
| 256 | I | 84.9 | Confident | 86.1 | Confident | 64 Ų | 64 | 53.2 Ų | 53.2 | 33% | 0.328 | 26% | 0.256 | S | S | . | . | trans | -93.3 | 105.1 | 178.2 | -53.4 | 178.4 | 0 | 0 | 0 | 108.7 | S253 E254 I290 I305 | S253-I256 PolarHBondContact O-N 3.49Å; E254-I256 PolarHBondContact O-N 3.43Å; I256-I290 HydrophobicContact CD1-CG2 3.82Å; I256-I290 HydrophobicContact CG1-CG2 3.58Å; I256-I305 HydrophobicContact CD1-CD1 4.02Å; I256-I305 HydrophobicContact CD1-CG1 4.1Å; I256-I305 HydrophobicContact CG1-CG1 4.14Å; I256-I305 HydrophobicContact CG2-CD1 4.16Å; I256-I305 HydrophobicContact CG2-CG1 4Å | ||
| 257 | Q | 83.7 | Confident | 86.3 | Confident | 63 Ų | 63 | 51.3 Ų | 51.3 | 29% | 0.294 | 24% | 0.244 | S | C | . | . | trans | -101.6 | 155.2 | 179.2 | -65.8 | -61.3 | -29.6 | 0 | 0 | 112 | E254 Y259 D262 | E254-Q257 PolarHBondContact O-NE2 3.23Å; Q257-Y259 VanDerWaalsContact C-N 3.32Å; Q257-D262 HydrophobicContact CB-CB 3.81Å; Q257-D262 HydrophobicContact CG-CB 4.05Å | ||
| 258 | K | 82.3 | Confident | 86.2 | Confident | 189 Ų | 189 | 55.9 Ų | 55.9 | 82% | 0.822 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -70 | -30.6 | 178.1 | -177.6 | -178.3 | 174.5 | -172 | 0 | 112.1 | ||
| 259 | Y | 84.2 | Confident | 86.1 | Confident | 155 Ų | 155 | 58.5 Ų | 58.5 | 61% | 0.608 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -92.7 | 143.4 | -178.9 | -57.6 | -74.3 | 0 | 0 | 0 | 110.8 | Q257 D262 | Q257-Y259 VanDerWaalsContact C-N 3.32Å; Y259-D262 WeakPolarHBondContact CB-OD2 3.5Å |
| 260 | L | 83.5 | Confident | 86 | Confident | 136 Ų | 136 | 54.1 Ų | 54.1 | 71% | 0.712 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 129.7 | -179 | -66.7 | 132.9 | 0 | 0 | 0 | 110.2 | ||
| 261 | G | 83.8 | Confident | 85.9 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 12% | 0.124 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | -10.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | K265 E304 | G261-K265 WeakPolarHBondContact O-CG 3.42Å; G261-K265 PolarHBondContact O-N 2.99Å; G261-E304 WeakPolarHBondContact CA-OE1 3.41Å; G261-E304 VanDerWaalsContact N-CD 3.3Å; G261-E304 PolarHBondContact N-OE1 3.25Å; G261-E304 PolarHBondContact N-OE2 2.91Å |
| 262 | D | 86.1 | Confident | 85.7 | Confident | 56 Ų | 56 | 57.7 Ų | 57.7 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -72.4 | -33.4 | 176.7 | -76.2 | 1.5 | 0 | 0 | 0 | 111.5 | Q257 Y259 K265 L266 | Q257-D262 HydrophobicContact CB-CB 3.81Å; Q257-D262 HydrophobicContact CG-CB 4.05Å; Y259-D262 WeakPolarHBondContact CB-OD2 3.5Å; D262-K265 PolarHBondContact O-N 3.49Å; D262-L266 WeakPolarHBondContact O-CB 3.41Å; D262-L266 PolarHBondContact O-N 2.82Å |
| 263 | G | 86.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.1 | -54.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K265 L266 V267 T308 | G263-K265 PolarHBondContact O-N 3.04Å; G263-L266 PolarHBondContact O-N 3.23Å; G263-V267 WeakPolarHBondContact O-CG2 3.33Å; G263-V267 PolarHBondContact O-N 2.83Å; G263-V267 VanDerWaalsContact O-N 3.13Å; G263-T308 WeakPolarHBondContact CA-OG1 3.32Å |
| 264 | P | 88.3 | Confident | 85.6 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.8 | -38.7 | 176 | -27.2 | 35.6 | 0 | 0 | 0 | 114.3 | V267 R268 E304 R307 T308 E311 | P264-V267 PolarHBondContact O-N 3.37Å; P264-R268 WeakPolarHBondContact O-CG 3.43Å; P264-R268 PolarHBondContact O-N 2.92Å; P264-E304 WeakPolarHBondContact CD-OE1 3.29Å; P264-R307 HydrophobicContact CG-CB 4.43Å; P264-R307 HydrophobicContact CG-CG 3.82Å; P264-T308 WeakPolarHBondContact CD-OG1 3.39Å; P264-E311 HydrophobicContact CB-CB 4.05Å; P264-E311 HydrophobicContact CB-CG 3.96Å |
| 265 | K | 86.9 | Confident | 85.5 | Confident | 119 Ų | 119 | 56.6 Ų | 56.6 | 52% | 0.517 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 176 | -73.1 | 179 | 178.1 | -174.8 | 0 | 111.2 | G261 D262 G263 V267 R268 E269 | G261-K265 WeakPolarHBondContact O-CG 3.42Å; G261-K265 PolarHBondContact O-N 2.99Å; D262-K265 PolarHBondContact O-N 3.49Å; G263-K265 PolarHBondContact O-N 3.04Å; K265-V267 VanDerWaalsContact C-N 3.27Å; K265-V267 PolarHBondContact O-N 3.13Å; K265-R268 WeakPolarHBondContact O-CB 3.17Å; K265-R268 PolarHBondContact O-N 2.98Å; K265-R268 VanDerWaalsContact O-N 3.1Å; K265-E269 PolarHBondContact O-N 3.16Å |
| 266 | L | 87.6 | Confident | 85.4 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.6 | -38.5 | 179.2 | -173.4 | 60.8 | 0 | 0 | 0 | 112.7 | L170 V171 M174 L255 D262 G263 E269 L270 | L170-L266 HydrophobicContact CB-CD1 4.22Å; L170-L266 HydrophobicContact CD2-CD1 3.7Å; L170-L266 HydrophobicContact CD2-CD2 3.54Å; L170-L266 HydrophobicContact CD2-CG 4.25Å; L170-L266 HydrophobicContact CG-CD1 4.12Å; L170-L266 HydrophobicContact CG-CD2 4.5Å; V171-L266 HydrophobicContact CG2-CD1 3.83Å; M174-L266 HydrophobicContact CE-CD1 3.56Å; M174-L266 HydrophobicContact CE-CD2 3.75Å; M174-L266 HydrophobicContact CE-CG 3.79Å; L255-L266 HydrophobicContact CD2-CD2 4.08Å; L255-L266 HydrophobicContact CD2-CG 4.34Å; D262-L266 WeakPolarHBondContact O-CB 3.41Å; D262-L266 PolarHBondContact O-N 2.82Å; G263-L266 PolarHBondContact O-N 3.23Å; L266-E269 PolarHBondContact O-N 3.28Å; L266-L270 WeakPolarHBondContact O-CB 3.4Å; L266-L270 PolarHBondContact O-N 2.92Å |
| 267 | V | 88.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65 | -42.1 | 176.4 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | L255 G263 P264 K265 E269 F271 T308 E311 L312 Q315 | L255-V267 HydrophobicContact CD2-CG2 3.98Å; G263-V267 WeakPolarHBondContact O-CG2 3.33Å; G263-V267 PolarHBondContact O-N 2.83Å; G263-V267 VanDerWaalsContact O-N 3.13Å; P264-V267 PolarHBondContact O-N 3.37Å; K265-V267 VanDerWaalsContact C-N 3.27Å; K265-V267 PolarHBondContact O-N 3.13Å; V267-E269 VanDerWaalsContact C-N 3.35Å; V267-F271 HydrophobicContact CG1-CD2 3.99Å; V267-F271 HydrophobicContact CG1-CE2 4Å; V267-F271 WeakPolarHBondContact O-CD2 3.35Å; V267-F271 PolarHBondContact O-N 3.04Å; V267-T308 HydrophobicContact CG2-CG2 3.76Å; V267-E311 HydrophobicContact CB-CG 4.44Å; V267-E311 HydrophobicContact CG1-CG 4.3Å; V267-L312 HydrophobicContact CG1-CB 3.93Å; V267-L312 HydrophobicContact CG1-CD1 4.45Å; V267-L312 HydrophobicContact CG1-CG 4.45Å; V267-L312 HydrophobicContact CG2-CB 4.47Å; V267-L312 HydrophobicContact CG2-CD1 4.46Å; V267-Q315 HydrophobicContact CG1-CG 4.12Å |
| 268 | R | 86.8 | Confident | 85.3 | Confident | 110 Ų | 110 | 60.5 Ų | 60.5 | 42% | 0.415 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 175.9 | -69.1 | 175.6 | -172.2 | 166.5 | 4.9 | 111.4 | P264 K265 L270 F271 R272 E311 | P264-R268 WeakPolarHBondContact O-CG 3.43Å; P264-R268 PolarHBondContact O-N 2.92Å; K265-R268 WeakPolarHBondContact O-CB 3.17Å; K265-R268 PolarHBondContact O-N 2.98Å; K265-R268 VanDerWaalsContact O-N 3.1Å; R268-L270 PolarHBondContact O-N 3.34Å; R268-F271 PolarHBondContact O-N 2.89Å; R268-F271 VanDerWaalsContact O-N 3.15Å; R268-R272 PolarHBondContact O-N 3.01Å; R268-E311 HydrophobicContact CG-CG 4.37Å; R268-E311 WeakPolarHBondContact CG-OE1 3.5Å; R268-E311 IonicContact CZ-OE1 2.68Å; R268-E311 IonicContact CZ-OE2 3.57Å; R268-E311 VanDerWaalsContact NE-CD 3.31Å; R268-E311 IonicContact NE-OE1 3.16Å; R268-E311 PolarHBondContact NE-OE1 2.84Å; R268-E311 IonicContact NE-OE2 2.65Å; R268-E311 IonicContact NH2-OE1 3.06Å; R268-E311 PolarHBondContact NH2-OE1 3.07Å; R268-E311 IonicContact NH2-OE2 2.88Å; R268-E311 PolarHBondContact NH2-OE2 3.31Å |
| 269 | E | 84.6 | Confident | 85.5 | Confident | 54 Ų | 54 | 54.5 Ų | 54.5 | 25% | 0.252 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.6 | -34.8 | -176.2 | -92.9 | 48.3 | 122.5 | 0 | 0 | 111.9 | V171 K265 L266 V267 F271 R272 V273 | V171-E269 HydrophobicContact CG2-CB 4.07Å; K265-E269 PolarHBondContact O-N 3.16Å; L266-E269 PolarHBondContact O-N 3.28Å; V267-E269 VanDerWaalsContact C-N 3.35Å; E269-F271 VanDerWaalsContact C-N 3.28Å; E269-F271 PolarHBondContact O-N 2.93Å; E269-R272 PolarHBondContact O-N 2.82Å; E269-V273 WeakPolarHBondContact O-CB 3.42Å; E269-V273 WeakPolarHBondContact O-CG2 3.4Å; E269-V273 PolarHBondContact O-N 3.41Å |
| 270 | L | 87 | Confident | 85.6 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.6 | -46 | 169.9 | 173.7 | 65.8 | 0 | 0 | 0 | 111.6 | M174 L248 V250 L266 R268 A274 V282 | M174-L270 HydrophobicContact SD-CD1 3.9Å; L248-L270 HydrophobicContact CB-CD1 4.44Å; L248-L270 HydrophobicContact CD1-CD1 4.33Å; V250-L270 HydrophobicContact CG2-CD1 3.57Å; V250-L270 HydrophobicContact CG2-CD2 3.73Å; V250-L270 HydrophobicContact CG2-CG 4.3Å; L266-L270 WeakPolarHBondContact O-CB 3.4Å; L266-L270 PolarHBondContact O-N 2.92Å; R268-L270 PolarHBondContact O-N 3.34Å; L270-A274 WeakPolarHBondContact O-CB 3.35Å; L270-A274 PolarHBondContact O-N 3.44Å; L270-V282 HydrophobicContact CD2-CG1 4.13Å; L270-V282 HydrophobicContact CG-CG1 4.49Å |
| 271 | F | 86.9 | Confident | 85.8 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -74.6 | -36.6 | -178 | -85.4 | -62.7 | 0 | 0 | 0 | 113 | V267 R268 E269 A274 E275 Q315 L316 F319 V327 | V267-F271 HydrophobicContact CG1-CD2 3.99Å; V267-F271 HydrophobicContact CG1-CE2 4Å; V267-F271 WeakPolarHBondContact O-CD2 3.35Å; V267-F271 PolarHBondContact O-N 3.04Å; R268-F271 PolarHBondContact O-N 2.89Å; R268-F271 VanDerWaalsContact O-N 3.15Å; E269-F271 VanDerWaalsContact C-N 3.28Å; E269-F271 PolarHBondContact O-N 2.93Å; F271-A274 WeakPolarHBondContact O-CB 3.38Å; F271-A274 PolarHBondContact O-N 2.93Å; F271-E275 PolarHBondContact O-N 3.36Å; F271-Q315 HydrophobicContact CD2-CB 3.38Å; F271-Q315 HydrophobicContact CD2-CG 3.89Å; F271-Q315 HydrophobicContact CE2-CB 3.58Å; F271-Q315 HydrophobicContact CE2-CG 4.41Å; F271-Q315 HydrophobicContact CG-CB 4.08Å; F271-Q315 HydrophobicContact CZ-CB 4.4Å; F271-L316 HydrophobicContact CE1-CD2 4.13Å; F271-L316 HydrophobicContact CZ-CD2 3.64Å; F271-L316 HydrophobicContact CZ-CG 4.03Å; F271-F319 HydrophobicContact CB-CE1 4.49Å; F271-F319 HydrophobicContact CB-CZ 3.7Å; F271-F319 HydrophobicContact CD1-CE1 4.18Å; F271-F319 AromaticContact CD1-CE2 3.27Å; F271-F319 HydrophobicContact CD1-CE2 3.27Å; F271-F319 AromaticContact CD1-CZ 3.08Å; F271-F319 HydrophobicContact CD1-CZ 3.08Å; F271-F319 HydrophobicContact CD2-CE2 4.46Å; F271-F319 HydrophobicContact CD2-CZ 4.33Å; F271-F319 HydrophobicContact CE1-CD2 4.41Å; F271-F319 AromaticContact CE1-CE2 3.34Å; F271-F319 HydrophobicContact CE1-CE2 3.34Å; F271-F319 AromaticContact CE1-CZ 3.72Å; F271-F319 HydrophobicContact CE1-CZ 3.72Å; F271-F319 AromaticContact CG-CE2 3.88Å; F271-F319 HydrophobicContact CG-CE2 3.88Å; F271-F319 AromaticContact CG-CZ 3.45Å; F271-F319 HydrophobicContact CG-CZ 3.45Å; F271-F319 VanDerWaalsContact CG-CZ 3.45Å; F271-F319 HydrophobicContact CZ-CE2 4.02Å; F271-V327 HydrophobicContact CE1-CG2 4.12Å |
| 272 | R | 84 | Confident | 86.1 | Confident | 97 Ų | 97 | 40.1 Ų | 40.1 | 37% | 0.366 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -57.6 | -49.2 | 171.1 | -178.6 | -176.9 | 170.9 | 170.6 | 6.6 | 111.1 | R268 E269 A274 E275 E276 | R268-R272 PolarHBondContact O-N 3.01Å; E269-R272 PolarHBondContact O-N 2.82Å; R272-A274 VanDerWaalsContact C-N 3.29Å; R272-A274 PolarHBondContact O-N 3.32Å; R272-E275 PolarHBondContact O-N 2.89Å; R272-E275 VanDerWaalsContact O-N 3.15Å; R272-E276 IonicContact CZ-OE1 3.93Å; R272-E276 IonicContact NE-OE1 2.64Å; R272-E276 PolarHBondContact NE-OE1 2.94Å; R272-E276 VanDerWaalsContact NE-OE1 3.1Å; R272-E276 IonicContact NH2-OE1 2.91Å; R272-E276 WeakPolarHBondContact O-CG 3.33Å; R272-E276 PolarHBondContact O-N 3.38Å |
| 273 | V | 84 | Confident | 86.4 | Confident | 8 Ų | 8 | 37.4 Ų | 37.4 | 5% | 0.048 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.9 | -36 | 177 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | T167 V171 E269 E275 H277 | T167-V273 HydrophobicContact CG2-CG2 3.59Å; V171-V273 HydrophobicContact CG1-CB 3.89Å; V171-V273 HydrophobicContact CG1-CG1 4.1Å; V171-V273 HydrophobicContact CG1-CG2 3.62Å; E269-V273 WeakPolarHBondContact O-CB 3.42Å; E269-V273 WeakPolarHBondContact O-CG2 3.4Å; E269-V273 PolarHBondContact O-N 3.41Å; V273-E275 VanDerWaalsContact C-N 3.32Å; V273-H277 WeakPolarHBondContact O-CB 3.38Å; V273-H277 PolarHBondContact O-N 2.97Å; V273-H277 PolarHBondContact O-ND1 2.97Å |
| 274 | A | 86.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.8 | -37.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L248 L270 F271 R272 A278 S280 V282 V325 | L248-A274 HydrophobicContact CD1-CB 3.59Å; L270-A274 WeakPolarHBondContact O-CB 3.35Å; L270-A274 PolarHBondContact O-N 3.44Å; F271-A274 WeakPolarHBondContact O-CB 3.38Å; F271-A274 PolarHBondContact O-N 2.93Å; R272-A274 VanDerWaalsContact C-N 3.29Å; R272-A274 PolarHBondContact O-N 3.32Å; A274-A278 PolarHBondContact O-N 2.89Å; A274-S280 WeakPolarHBondContact O-CB 3.39Å; A274-S280 PolarHBondContact O-OG 3.21Å; A274-V282 HydrophobicContact CB-CG2 3.72Å; A274-V325 HydrophobicContact CB-CG1 3.97Å; A274-V325 HydrophobicContact CB-CG2 4.43Å |
| 275 | E | 84.3 | Confident | 86.7 | Confident | 114 Ų | 114 | 38 Ų | 38 | 53% | 0.533 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -71.5 | -44.3 | 177.9 | -172.1 | 168.8 | -165.3 | 0 | 0 | 111.9 | F271 R272 V273 H277 A278 | F271-E275 PolarHBondContact O-N 3.36Å; R272-E275 PolarHBondContact O-N 2.89Å; R272-E275 VanDerWaalsContact O-N 3.15Å; V273-E275 VanDerWaalsContact C-N 3.32Å; E275-H277 PolarHBondContact O-N 3.02Å; E275-A278 WeakPolarHBondContact O-CB 3.41Å; E275-A278 PolarHBondContact O-N 3.41Å; E275-A278 VanDerWaalsContact O-N 3.16Å |
| 276 | E | 83.6 | Confident | 86.8 | Confident | 104 Ų | 104 | 36.7 Ų | 36.7 | 49% | 0.486 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.6 | -30 | 175.4 | -71.9 | 170.6 | -173.8 | 0 | 0 | 112.5 | R272 | R272-E276 IonicContact CZ-OE1 3.93Å; R272-E276 IonicContact NE-OE1 2.64Å; R272-E276 PolarHBondContact NE-OE1 2.94Å; R272-E276 VanDerWaalsContact NE-OE1 3.1Å; R272-E276 IonicContact NH2-OE1 2.91Å; R272-E276 WeakPolarHBondContact O-CG 3.33Å; R272-E276 PolarHBondContact O-N 3.38Å |
| 277 | H | 84 | Confident | 86.8 | Confident | 57 Ų | 57 | 36.5 Ų | 36.5 | 26% | 0.264 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 20.8 | -179.7 | -64.7 | 81.9 | 0 | 0 | 0 | 114 | K175 T246 V273 E275 P279 | K175-H277 PolarHBondContact NZ-CD2 2.95Å; K175-H277 PolarHBondContact NZ-NE2 3.46Å; T246-H277 HydrophobicContact CG2-CB 3.88Å; T246-H277 PolarHBondContact OG1-O 3.43Å; V273-H277 WeakPolarHBondContact O-CB 3.38Å; V273-H277 PolarHBondContact O-N 2.97Å; V273-H277 PolarHBondContact O-ND1 2.97Å; E275-H277 PolarHBondContact O-N 3.02Å; H277-P279 CarbonylContact O-C 3.53Å |
| 278 | A | 83 | Confident | 86.8 | Confident | 48 Ų | 48 | 38.1 Ų | 38.1 | 40% | 0.397 | 19% | 0.185 | S | C | . | . | trans | -60.8 | 135.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A274 E275 | A274-A278 PolarHBondContact O-N 2.89Å; E275-A278 WeakPolarHBondContact O-CB 3.41Å; E275-A278 PolarHBondContact O-N 3.41Å; E275-A278 VanDerWaalsContact O-N 3.16Å | ||
| 279 | P | 85.7 | Confident | 86.7 | Confident | 62 Ų | 62 | 34.4 Ų | 34.4 | 40% | 0.403 | 18% | 0.178 | S | C | . | . | S | Bend | cis | -75.4 | 132 | 3.1 | 29.9 | -34.6 | 0 | 0 | 0 | 113.5 | L205 T246 H277 D324 | L205-P279 HydrophobicContact CD2-CB 3.57Å; T246-P279 PolarHBondContact N-O 3.15Å; H277-P279 CarbonylContact O-C 3.53Å; P279-D324 HydrophobicContact CB-CB 3.89Å |
| 280 | S | 86.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 150.8 | -176.2 | 70.5 | 0 | 0 | 0 | 0 | 113 | T246 A274 D324 V325 K326 | T246-S280 CarbonylContact O-C 3.57Å; T246-S280 VanDerWaalsContact O-CA 3.31Å; T246-S280 WeakPolarHBondContact O-CA 3.45Å; A274-S280 WeakPolarHBondContact O-CB 3.39Å; A274-S280 PolarHBondContact O-OG 3.21Å; S280-D324 PolarHBondContact N-O 3.42Å; S280-D324 VanDerWaalsContact N-O 3.15Å; S280-V325 WeakPolarHBondContact O-CA 3.17Å; S280-K326 PolarHBondContact O-N 2.89Å |
| 281 | I | 88.5 | Confident | 86.2 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 116.8 | 176.3 | -60 | 172.3 | 0 | 0 | 0 | 107.9 | V201 L205 T243 A245 T246 F247 L248 K326 I328 | V201-I281 HydrophobicContact CG1-CD1 3.64Å; V201-I281 HydrophobicContact CG1-CG1 4.13Å; L205-I281 HydrophobicContact CD1-CD1 4.35Å; L205-I281 HydrophobicContact CD1-CG1 4.47Å; T243-I281 HydrophobicContact CG2-CD1 4.34Å; T243-I281 VanDerWaalsContact OG1-CD1 3.25Å; T243-I281 WeakPolarHBondContact OG1-CD1 3.3Å; A245-I281 HydrophobicContact CB-CD1 4.26Å; A245-I281 HydrophobicContact CB-CG1 4.3Å; T246-I281 PolarHBondContact O-N 2.91Å; F247-I281 HydrophobicContact CD2-CB 4.29Å; F247-I281 HydrophobicContact CD2-CG2 4.19Å; F247-I281 HydrophobicContact CE2-CG2 4.39Å; L248-I281 PolarHBondContact N-O 3.48Å; I281-K326 CarbonylContact C-O 3.6Å; I281-K326 WeakPolarHBondContact CA-O 3.42Å; I281-K326 HydrophobicContact CG1-CB 4.48Å; I281-I328 HydrophobicContact CG2-CD1 3.72Å; I281-I328 HydrophobicContact CG2-CG1 4.13Å |
| 282 | V | 89.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 112.9 | 174.2 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | L248 L270 A274 I284 V325 K326 V327 I328 | L248-V282 HydrophobicContact CB-CG2 4.47Å; L248-V282 HydrophobicContact CD1-CG2 4.22Å; L270-V282 HydrophobicContact CD2-CG1 4.13Å; L270-V282 HydrophobicContact CG-CG1 4.49Å; A274-V282 HydrophobicContact CB-CG2 3.72Å; V282-I284 HydrophobicContact CG1-CD1 4.48Å; V282-I284 HydrophobicContact CG1-CG1 4.1Å; V282-V325 HydrophobicContact CG2-CG1 3.97Å; V282-K326 PolarHBondContact N-O 3.19Å; V282-V327 HydrophobicContact CB-CG2 4.32Å; V282-V327 CarbonylContact O-C 3.4Å; V282-V327 WeakPolarHBondContact O-CA 3.41Å; V282-I328 PolarHBondContact O-N 2.9Å |
| 283 | F | 91.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 114.9 | 176.3 | 177.1 | -114.2 | 0 | 0 | 0 | 110.8 | T233 A236 F247 L248 R249 V250 D285 I328 A330 | T233-F283 HydrophobicContact CG2-CE1 3.96Å; T233-F283 HydrophobicContact CG2-CZ 4.1Å; A236-F283 HydrophobicContact CB-CD2 3.48Å; A236-F283 VanDerWaalsContact CB-CD2 3.48Å; A236-F283 HydrophobicContact CB-CE1 4.45Å; A236-F283 HydrophobicContact CB-CE2 3.37Å; A236-F283 HydrophobicContact CB-CG 4.09Å; A236-F283 HydrophobicContact CB-CZ 3.91Å; F247-F283 HydrophobicContact CD2-CB 4.45Å; F247-F283 HydrophobicContact CE1-CB 4.46Å; F247-F283 HydrophobicContact CE2-CB 3.42Å; F247-F283 VanDerWaalsContact CE2-CB 3.42Å; F247-F283 HydrophobicContact CE2-CG 4.12Å; F247-F283 HydrophobicContact CZ-CB 3.42Å; F247-F283 VanDerWaalsContact CZ-CB 3.42Å; F247-F283 AromaticContact CZ-CD1 3.78Å; F247-F283 HydrophobicContact CZ-CD1 3.78Å; F247-F283 AromaticContact CZ-CG 3.79Å; F247-F283 HydrophobicContact CZ-CG 3.79Å; L248-F283 PolarHBondContact O-N 3.13Å; R249-F283 HydrophobicContact CG-CD1 4.19Å; V250-F283 PolarHBondContact N-O 3.43Å; F283-D285 HydrophobicContact CE1-CB 3.7Å; F283-D285 HydrophobicContact CZ-CB 3.94Å; F283-I328 WeakPolarHBondContact CA-O 3.35Å; F283-I328 HydrophobicContact CD2-CB 3.93Å; F283-I328 HydrophobicContact CD2-CG2 3.72Å; F283-I328 HydrophobicContact CE2-CG2 4.05Å; F283-A330 HydrophobicContact CE2-CB 3.92Å; F283-A330 HydrophobicContact CZ-CB 4.02Å |
| 284 | I | 90.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 105.3 | 177.7 | -51.7 | -178.2 | 0 | 0 | 0 | 108.3 | V250 V282 I287 L312 V327 I328 M329 A330 | V250-I284 WeakPolarHBondContact O-CA 3.36Å; V282-I284 HydrophobicContact CG1-CD1 4.48Å; V282-I284 HydrophobicContact CG1-CG1 4.1Å; I284-I287 HydrophobicContact CG2-CB 4.21Å; I284-I287 HydrophobicContact CG2-CD1 4.37Å; I284-I287 HydrophobicContact CG2-CG1 4.33Å; I284-L312 HydrophobicContact CD1-CD1 3.84Å; I284-V327 HydrophobicContact CD1-CG1 4.28Å; I284-I328 PolarHBondContact N-O 3.3Å; I284-M329 HydrophobicContact CB-CG 4.39Å; I284-M329 WeakPolarHBondContact O-CA 3.4Å; I284-A330 PolarHBondContact O-N 3.22Å |
| 285 | D | 90.3 | Very high | 82.9 | Confident | 17 Ų | 17 | 46.5 Ų | 46.5 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 150.7 | 176.3 | -145.9 | -7.5 | 0 | 0 | 0 | 110.6 | T233 V250 G252 F283 I287 | T233-D285 WeakPolarHBondContact CG2-OD2 3.4Å; T233-D285 PolarHBondContact OG1-OD2 2.84Å; V250-D285 PolarHBondContact O-N 3.42Å; G252-D285 PolarHBondContact N-O 2.94Å; F283-D285 HydrophobicContact CE1-CB 3.7Å; F283-D285 HydrophobicContact CZ-CB 3.94Å; D285-I287 VanDerWaalsContact C-N 3.33Å; D285-I287 PolarHBondContact O-N 3.04Å |
| 286 | E | 88.7 | Confident | 81.7 | Confident | 91 Ų | 91 | 48.9 Ų | 48.9 | 43% | 0.425 | 25% | 0.245 | S | C | . | . | trans | 49.7 | 46.9 | 176.5 | -58.3 | -173.2 | 165.6 | 0 | 0 | 114.4 | D288 A289 A330 | E286-D288 VanDerWaalsContact C-OD1 3.23Å; E286-D288 WeakPolarHBondContact CA-OD1 3.22Å; E286-D288 PolarHBondContact O-N 2.96Å; E286-D288 VanDerWaalsContact O-N 3.1Å; E286-A289 WeakPolarHBondContact O-CB 3.33Å; E286-A289 PolarHBondContact O-N 3.3Å; E286-A330 PolarHBondContact N-O 2.95Å; E286-A330 VanDerWaalsContact N-O 3.17Å | ||
| 287 | I | 88.6 | Confident | 80.7 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -17 | -179.9 | -166.2 | 167.2 | 0 | 0 | 0 | 113 | I284 D285 A289 I290 G291 M329 A330 L337 L341 | I284-I287 HydrophobicContact CG2-CB 4.21Å; I284-I287 HydrophobicContact CG2-CD1 4.37Å; I284-I287 HydrophobicContact CG2-CG1 4.33Å; D285-I287 VanDerWaalsContact C-N 3.33Å; D285-I287 PolarHBondContact O-N 3.04Å; I287-A289 PolarHBondContact O-N 3.45Å; I287-I290 HydrophobicContact CG1-CD1 4.19Å; I287-I290 HydrophobicContact CG1-CG1 4.03Å; I287-I290 WeakPolarHBondContact O-CG1 3.48Å; I287-I290 PolarHBondContact O-N 2.92Å; I287-G291 PolarHBondContact O-N 2.89Å; I287-M329 HydrophobicContact CD1-CB 4.29Å; I287-M329 HydrophobicContact CD1-CG 3.78Å; I287-M329 HydrophobicContact CD1-SD 3.42Å; I287-M329 WeakPolarHBondContact CD1-SD 3.37Å; I287-M329 HydrophobicContact CG2-CB 4.42Å; I287-A330 PolarHBondContact N-O 3.38Å; I287-A330 VanDerWaalsContact N-O 3.16Å; I287-L337 HydrophobicContact CG2-CD1 4.22Å; I287-L337 HydrophobicContact CG2-CD2 4Å; I287-L341 HydrophobicContact CD1-CD1 4.49Å; I287-L341 HydrophobicContact CD1-CD2 4.32Å |
| 288 | D | 87.7 | Confident | 79.9 | Confident | 34 Ų | 34 | 49.9 Ų | 49.9 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.4 | -19.2 | 172.1 | 52.5 | -31.8 | 0 | 0 | 0 | 113.5 | E286 I290 T292 L337 | E286-D288 VanDerWaalsContact C-OD1 3.23Å; E286-D288 WeakPolarHBondContact CA-OD1 3.22Å; E286-D288 PolarHBondContact O-N 2.96Å; E286-D288 VanDerWaalsContact O-N 3.1Å; D288-I290 PolarHBondContact O-N 2.8Å; D288-T292 WeakPolarHBondContact O-CG2 3.48Å; D288-L337 HydrophobicContact CB-CD2 4.21Å |
| 289 | A | 85.3 | Confident | 79.6 | Confident | 32 Ų | 32 | 51 Ų | 51 | 26% | 0.264 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63 | -39.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E286 I287 | E286-A289 WeakPolarHBondContact O-CB 3.33Å; E286-A289 PolarHBondContact O-N 3.3Å; I287-A289 PolarHBondContact O-N 3.45Å |
| 290 | I | 84.7 | Confident | 79.2 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -100.3 | -27 | 179.5 | 56 | 165.1 | 0 | 0 | 0 | 112.9 | G252 L255 I256 I287 D288 T292 I305 L312 | G252-I290 VanDerWaalsContact O-CG2 3.27Å; G252-I290 WeakPolarHBondContact O-CG2 3.31Å; L255-I290 HydrophobicContact CB-CG2 4.49Å; L255-I290 HydrophobicContact CD1-CD1 3.82Å; I256-I290 HydrophobicContact CD1-CG2 3.82Å; I256-I290 HydrophobicContact CG1-CG2 3.58Å; I287-I290 HydrophobicContact CG1-CD1 4.19Å; I287-I290 HydrophobicContact CG1-CG1 4.03Å; I287-I290 WeakPolarHBondContact O-CG1 3.48Å; I287-I290 PolarHBondContact O-N 2.92Å; D288-I290 PolarHBondContact O-N 2.8Å; I290-T292 VanDerWaalsContact C-N 3.35Å; I290-T292 PolarHBondContact O-N 3.13Å; I290-I305 HydrophobicContact CB-CG2 4.28Å; I290-I305 HydrophobicContact CG2-CG2 4.38Å; I290-L312 HydrophobicContact CD1-CD1 4.39Å |
| 291 | G | 75.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -85.6 | 3.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | I287 K293 L337 D338 | I287-G291 PolarHBondContact O-N 2.89Å; G291-K293 PolarHBondContact O-N 3.39Å; G291-L337 CarbonylContact O-C 3.39Å; G291-L337 VanDerWaalsContact O-CA 3.28Å; G291-L337 WeakPolarHBondContact O-CA 3.48Å; G291-D338 PolarHBondContact O-N 2.84Å |
| 292 | T | 75.4 | Confident | 78.5 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 27% | 0.27 | 30% | 0.3 | S | S | . | . | B | Isolated β-bridge | trans | -59.9 | 132.8 | -179.5 | 55 | 0 | 0 | 0 | 0 | 111.9 | D288 I290 R294 T336 | D288-T292 WeakPolarHBondContact O-CG2 3.48Å; I290-T292 VanDerWaalsContact C-N 3.35Å; I290-T292 PolarHBondContact O-N 3.13Å; T292-R294 PolarHBondContact O-N 2.99Å; T292-R294 PolarHBondContact OG1-NE 2.83Å; T292-T336 WeakPolarHBondContact CA-O 3.38Å |
| 293 | K | 68.2 | Low | 78.1 | Confident | 83 Ų | 83 | 61.4 Ų | 61.4 | 36% | 0.361 | 33% | 0.326 | S | S | . | . | trans | -60.4 | 103.6 | 166.2 | -68.2 | 169.6 | -179.4 | 143.4 | 0 | 110.2 | G291 Y295 E335 T336 L337 | G291-K293 PolarHBondContact O-N 3.39Å; K293-Y295 HydrophobicContact CB-CD2 4.4Å; K293-Y295 HydrophobicContact CB-CE2 3.84Å; K293-Y295 HydrophobicContact CD-CE2 4.31Å; K293-Y295 HydrophobicContact CG-CE2 4.48Å; K293-E335 PolarHBondContact NZ-O 3.49Å; K293-T336 PolarHBondContact N-O 3.41Å; K293-L337 WeakPolarHBondContact CE-O 3.22Å; K293-L337 PolarHBondContact NZ-O 3.02Å | ||
| 294 | R | 67.8 | Low | 77.8 | Confident | 97 Ų | 97 | 62 Ų | 62 | 37% | 0.366 | 33% | 0.329 | S | S | . | . | trans | -105.5 | 103.6 | 174.2 | -63.4 | -177.3 | -167.6 | -166.6 | 7.6 | 108.9 | T292 E302 | T292-R294 PolarHBondContact O-N 2.99Å; T292-R294 PolarHBondContact OG1-NE 2.83Å; R294-E302 WeakPolarHBondContact CD-OE2 3.4Å | ||
| 295 | Y | 60.6 | Low | 77.5 | Confident | 188 Ų | 188 | 62.8 Ų | 62.8 | 74% | 0.737 | 33% | 0.333 | S | S | * | . | trans | -90.1 | 116.1 | 172.1 | -63.2 | -77.3 | 0 | 0 | 0 | 108.3 | K293 | K293-Y295 HydrophobicContact CB-CD2 4.4Å; K293-Y295 HydrophobicContact CB-CE2 3.84Å; K293-Y295 HydrophobicContact CD-CE2 4.31Å; K293-Y295 HydrophobicContact CG-CE2 4.48Å | ||
| 296 | D | 59.9 | Low | 77.3 | Confident | 163 Ų | 163 | 67 Ų | 67 | 87% | 0.872 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 70.9 | 26.8 | 159 | -103.4 | -12.5 | 0 | 0 | 0 | 120.4 | ||
| 297 | S | 61.8 | Low | 77.2 | Confident | 52 Ų | 52 | 69.4 Ų | 69.4 | 36% | 0.364 | 36% | 0.357 | S | S | . | . | trans | -88.5 | 120.5 | 169.4 | -55 | 0 | 0 | 0 | 0 | 112.5 | S299 E302 | S297-S299 PolarHBondContact O-N 3.4Å; S297-E302 WeakPolarHBondContact CB-OE1 2.88Å; S297-E302 WeakPolarHBondContact CB-OE2 3.42Å; S297-E302 PolarHBondContact OG-OE1 3.12Å; S297-E302 PolarHBondContact OG-OE2 3.4Å | ||
| 298 | N | 68.6 | Low | 77.2 | Confident | 131 Ų | 131 | 69.4 Ų | 69.4 | 70% | 0.701 | 36% | 0.357 | S | S | * | . | trans | -80.9 | 9.2 | 177.3 | -88.8 | -30 | 0 | 0 | 0 | 115 | R303 | N298-R303 PolarHBondContact OD1-NH2 3.34Š| ||
| 299 | S | 76.6 | Confident | 77.2 | Confident | 71 Ų | 71 | 68.2 Ų | 68.2 | 50% | 0.497 | 35% | 0.35 | S | S | . | . | trans | -75.4 | 133.3 | -179.2 | -169.3 | 0 | 0 | 0 | 0 | 111.3 | S297 G301 E302 R303 | S297-S299 PolarHBondContact O-N 3.4Å; S299-G301 PolarHBondContact O-N 3.04Å; S299-E302 PolarHBondContact O-N 3.39Å; S299-R303 PolarHBondContact O-N 3.34Å | ||
| 300 | G | 77.2 | Confident | 77.2 | Confident | 41 Ų | 41 | 70.6 Ų | 70.6 | 42% | 0.423 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57 | -34 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114 | E302 R303 E304 | G300-E302 VanDerWaalsContact C-N 3.33Å; G300-E302 PolarHBondContact O-N 3.45Å; G300-R303 PolarHBondContact O-N 3.01Å; G300-E304 PolarHBondContact O-N 3.06Å |
| 301 | G | 79.2 | Confident | 77.4 | Confident | 48 Ų | 48 | 71.5 Ų | 71.5 | 50% | 0.495 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.6 | -28.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S299 I305 | S299-G301 PolarHBondContact O-N 3.04Å; G301-I305 WeakPolarHBondContact O-CG1 3.49Å; G301-I305 PolarHBondContact O-N 3.19Å |
| 302 | E | 80 | Confident | 78 | Confident | 51 Ų | 51 | 71.5 Ų | 71.5 | 24% | 0.238 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -78.2 | -36.6 | 178.4 | -57.4 | -168.8 | -140.5 | 0 | 0 | 111.7 | R294 S297 S299 G300 E304 I305 Q306 | R294-E302 WeakPolarHBondContact CD-OE2 3.4Å; S297-E302 WeakPolarHBondContact CB-OE1 2.88Å; S297-E302 WeakPolarHBondContact CB-OE2 3.42Å; S297-E302 PolarHBondContact OG-OE1 3.12Å; S297-E302 PolarHBondContact OG-OE2 3.4Å; S299-E302 PolarHBondContact O-N 3.39Å; G300-E302 VanDerWaalsContact C-N 3.33Å; G300-E302 PolarHBondContact O-N 3.45Å; E302-E304 VanDerWaalsContact C-N 3.27Å; E302-E304 PolarHBondContact O-N 3.4Å; E302-I305 PolarHBondContact O-N 3.37Å; E302-Q306 PolarHBondContact O-N 3.15Å |
| 303 | R | 82.7 | Confident | 78.5 | Confident | 142 Ų | 142 | 69.6 Ų | 69.6 | 54% | 0.536 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61 | -37.8 | 172.6 | -66.7 | -176.3 | 178.9 | -176.8 | -0 | 111.7 | N298 S299 G300 Q306 R307 | N298-R303 PolarHBondContact OD1-NH2 3.34Å; S299-R303 PolarHBondContact O-N 3.34Å; G300-R303 PolarHBondContact O-N 3.01Å; R303-Q306 PolarHBondContact O-N 2.79Å; R303-R307 WeakPolarHBondContact O-CB 3.48Å; R303-R307 PolarHBondContact O-N 2.91Å |
| 304 | E | 83.8 | Confident | 79.3 | Confident | 12 Ų | 12 | 70 Ų | 70 | 6% | 0.056 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.4 | -47.1 | 176.2 | -174.8 | 60.7 | -163.8 | 0 | 0 | 111.4 | G261 P264 G300 E302 Q306 R307 T308 | G261-E304 WeakPolarHBondContact CA-OE1 3.41Å; G261-E304 VanDerWaalsContact N-CD 3.3Å; G261-E304 PolarHBondContact N-OE1 3.25Å; G261-E304 PolarHBondContact N-OE2 2.91Å; P264-E304 WeakPolarHBondContact CD-OE1 3.29Å; G300-E304 PolarHBondContact O-N 3.06Å; E302-E304 VanDerWaalsContact C-N 3.27Å; E302-E304 PolarHBondContact O-N 3.4Å; E304-Q306 VanDerWaalsContact C-N 3.31Å; E304-Q306 PolarHBondContact O-N 3.11Å; E304-R307 WeakPolarHBondContact O-CB 3.16Å; E304-R307 PolarHBondContact O-N 2.93Å; E304-R307 VanDerWaalsContact O-N 3.1Å; E304-T308 PolarHBondContact O-N 3.27Å; E304-T308 PolarHBondContact O-OG1 3.31Å; E304-T308 VanDerWaalsContact O-OG1 3.14Å |
| 305 | I | 85.8 | Confident | 80.2 | Confident | 16 Ų | 16 | 67.8 Ų | 67.8 | 8% | 0.082 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.6 | -43 | 178.2 | -66.9 | 164.1 | 0 | 0 | 0 | 110.9 | I256 I290 G301 E302 R307 T308 M309 | I256-I305 HydrophobicContact CD1-CD1 4.02Å; I256-I305 HydrophobicContact CD1-CG1 4.1Å; I256-I305 HydrophobicContact CG1-CG1 4.14Å; I256-I305 HydrophobicContact CG2-CD1 4.16Å; I256-I305 HydrophobicContact CG2-CG1 4Å; I290-I305 HydrophobicContact CB-CG2 4.28Å; I290-I305 HydrophobicContact CG2-CG2 4.38Å; G301-I305 WeakPolarHBondContact O-CG1 3.49Å; G301-I305 PolarHBondContact O-N 3.19Å; E302-I305 PolarHBondContact O-N 3.37Å; I305-R307 VanDerWaalsContact C-N 3.34Å; I305-R307 PolarHBondContact O-N 3.2Å; I305-T308 PolarHBondContact O-N 2.95Å; I305-M309 WeakPolarHBondContact O-CB 3.45Å; I305-M309 PolarHBondContact O-N 3.35Å |
| 306 | Q | 84.9 | Confident | 81.2 | Confident | 105 Ų | 105 | 59.4 Ų | 59.4 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 175.7 | -171.4 | -178.8 | 10.5 | 0 | 0 | 111.9 | E302 R303 E304 M309 L310 | E302-Q306 PolarHBondContact O-N 3.15Å; R303-Q306 PolarHBondContact O-N 2.79Å; E304-Q306 VanDerWaalsContact C-N 3.31Å; E304-Q306 PolarHBondContact O-N 3.11Å; Q306-M309 HydrophobicContact CG-CE 4.42Å; Q306-M309 PolarHBondContact O-N 3.07Å; Q306-L310 HydrophobicContact CG-CD1 4.27Å; Q306-L310 WeakPolarHBondContact O-CG 3.47Å; Q306-L310 PolarHBondContact O-N 3.42Å |
| 307 | R | 86.9 | Confident | 81.9 | Confident | 143 Ų | 143 | 54.9 Ų | 54.9 | 54% | 0.54 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 177.3 | -169.2 | -177.6 | 178.9 | -179.7 | -0.3 | 111.6 | P264 R303 E304 I305 M309 L310 E311 | P264-R307 HydrophobicContact CG-CB 4.43Å; P264-R307 HydrophobicContact CG-CG 3.82Å; R303-R307 WeakPolarHBondContact O-CB 3.48Å; R303-R307 PolarHBondContact O-N 2.91Å; E304-R307 WeakPolarHBondContact O-CB 3.16Å; E304-R307 PolarHBondContact O-N 2.93Å; E304-R307 VanDerWaalsContact O-N 3.1Å; I305-R307 VanDerWaalsContact C-N 3.34Å; I305-R307 PolarHBondContact O-N 3.2Å; R307-M309 VanDerWaalsContact C-N 3.35Å; R307-L310 PolarHBondContact O-N 2.93Å; R307-E311 PolarHBondContact O-N 3.03Å |
| 308 | T | 88.4 | Confident | 82.2 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 175 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | L255 G263 P264 V267 E304 I305 E311 L312 | L255-T308 HydrophobicContact CB-CG2 4.13Å; G263-T308 WeakPolarHBondContact CA-OG1 3.32Å; P264-T308 WeakPolarHBondContact CD-OG1 3.39Å; V267-T308 HydrophobicContact CG2-CG2 3.76Å; E304-T308 PolarHBondContact O-N 3.27Å; E304-T308 PolarHBondContact O-OG1 3.31Å; E304-T308 VanDerWaalsContact O-OG1 3.14Å; I305-T308 PolarHBondContact O-N 2.95Å; T308-E311 PolarHBondContact O-N 3.27Å; T308-L312 WeakPolarHBondContact O-CB 3.41Å; T308-L312 PolarHBondContact O-N 2.64Å |
| 309 | M | 87 | Confident | 81.9 | Confident | 8 Ų | 8 | 50.9 Ų | 50.9 | 4% | 0.039 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 176.3 | -178.5 | -173.6 | 70.4 | 0 | 0 | 112.1 | I305 Q306 R307 E311 L312 L313 D338 | I305-M309 WeakPolarHBondContact O-CB 3.45Å; I305-M309 PolarHBondContact O-N 3.35Å; Q306-M309 HydrophobicContact CG-CE 4.42Å; Q306-M309 PolarHBondContact O-N 3.07Å; R307-M309 VanDerWaalsContact C-N 3.35Å; M309-E311 VanDerWaalsContact C-N 3.35Å; M309-L312 PolarHBondContact O-N 2.79Å; M309-L313 HydrophobicContact CG-CD1 4.45Å; M309-L313 VanDerWaalsContact O-CG 3.31Å; M309-L313 WeakPolarHBondContact O-CG 3.43Å; M309-L313 PolarHBondContact O-N 2.91Å; M309-D338 HydrophobicContact CE-CB 4.26Å; M309-D338 WeakPolarHBondContact CE-OD2 3.29Å; M309-D338 HydrophobicContact SD-CB 3.94Å |
| 310 | L | 87.2 | Confident | 80.9 | Confident | 82 Ų | 82 | 53.1 Ų | 53.1 | 43% | 0.429 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 177.2 | -72.4 | 172 | 0 | 0 | 0 | 112 | Q306 R307 L313 N314 | Q306-L310 HydrophobicContact CG-CD1 4.27Å; Q306-L310 WeakPolarHBondContact O-CG 3.47Å; Q306-L310 PolarHBondContact O-N 3.42Å; R307-L310 PolarHBondContact O-N 2.93Å; L310-L313 WeakPolarHBondContact O-CB 3.48Å; L310-L313 PolarHBondContact O-N 3.12Å; L310-N314 PolarHBondContact O-N 3.45Å; L310-N314 PolarHBondContact O-ND2 3.36Å |
| 311 | E | 88.2 | Confident | 79.8 | Confident | 23 Ų | 23 | 56 Ų | 56 | 11% | 0.107 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 174.6 | -173.5 | 66.3 | -148.4 | 0 | 0 | 111.1 | P264 V267 R268 R307 T308 M309 L313 N314 Q315 | P264-E311 HydrophobicContact CB-CB 4.05Å; P264-E311 HydrophobicContact CB-CG 3.96Å; V267-E311 HydrophobicContact CB-CG 4.44Å; V267-E311 HydrophobicContact CG1-CG 4.3Å; R268-E311 HydrophobicContact CG-CG 4.37Å; R268-E311 WeakPolarHBondContact CG-OE1 3.5Å; R268-E311 IonicContact CZ-OE1 2.68Å; R268-E311 IonicContact CZ-OE2 3.57Å; R268-E311 VanDerWaalsContact NE-CD 3.31Å; R268-E311 IonicContact NE-OE1 3.16Å; R268-E311 PolarHBondContact NE-OE1 2.84Å; R268-E311 IonicContact NE-OE2 2.65Å; R268-E311 IonicContact NH2-OE1 3.06Å; R268-E311 PolarHBondContact NH2-OE1 3.07Å; R268-E311 IonicContact NH2-OE2 2.88Å; R268-E311 PolarHBondContact NH2-OE2 3.31Å; R307-E311 PolarHBondContact O-N 3.03Å; T308-E311 PolarHBondContact O-N 3.27Å; M309-E311 VanDerWaalsContact C-N 3.35Å; E311-L313 VanDerWaalsContact C-N 3.29Å; E311-L313 PolarHBondContact O-N 3.38Å; E311-N314 WeakPolarHBondContact O-CB 3.2Å; E311-N314 PolarHBondContact O-N 3.41Å; E311-N314 VanDerWaalsContact O-N 3.09Å; E311-Q315 HydrophobicContact CG-CG 4.48Å; E311-Q315 WeakPolarHBondContact O-CG 3.4Å; E311-Q315 PolarHBondContact O-N 3.45Å; E311-Q315 PolarHBondContact OE1-NE2 2.87Å |
| 312 | L | 88.2 | Confident | 78.7 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 175.5 | -176.4 | 133.4 | 0 | 0 | 0 | 111.9 | L255 V267 I284 I290 T308 M309 L316 L341 | L255-L312 HydrophobicContact CD1-CD1 4.03Å; V267-L312 HydrophobicContact CG1-CB 3.93Å; V267-L312 HydrophobicContact CG1-CD1 4.45Å; V267-L312 HydrophobicContact CG1-CG 4.45Å; V267-L312 HydrophobicContact CG2-CB 4.47Å; V267-L312 HydrophobicContact CG2-CD1 4.46Å; I284-L312 HydrophobicContact CD1-CD1 3.84Å; I290-L312 HydrophobicContact CD1-CD1 4.39Å; T308-L312 WeakPolarHBondContact O-CB 3.41Å; T308-L312 PolarHBondContact O-N 2.64Å; M309-L312 PolarHBondContact O-N 2.79Å; L312-L316 HydrophobicContact CD2-CD1 3.67Å; L312-L316 HydrophobicContact CD2-CG 4.49Å; L312-L316 HydrophobicContact CG-CD1 4.35Å; L312-L316 WeakPolarHBondContact O-CB 3.33Å; L312-L316 WeakPolarHBondContact O-CG 3.43Å; L312-L316 PolarHBondContact O-N 2.93Å; L312-L341 HydrophobicContact CD2-CD2 4.16Å |
| 313 | L | 85.4 | Confident | 77.8 | Confident | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 173.5 | -71.9 | 174.4 | 0 | 0 | 0 | 113 | M309 L310 E311 L316 D317 A340 L341 | M309-L313 HydrophobicContact CG-CD1 4.45Å; M309-L313 VanDerWaalsContact O-CG 3.31Å; M309-L313 WeakPolarHBondContact O-CG 3.43Å; M309-L313 PolarHBondContact O-N 2.91Å; L310-L313 WeakPolarHBondContact O-CB 3.48Å; L310-L313 PolarHBondContact O-N 3.12Å; E311-L313 VanDerWaalsContact C-N 3.29Å; E311-L313 PolarHBondContact O-N 3.38Å; L313-L316 PolarHBondContact O-N 3.34Å; L313-D317 PolarHBondContact O-N 3.09Å; L313-A340 HydrophobicContact CD1-CB 3.91Å; L313-L341 HydrophobicContact CD2-CB 4.37Å; L313-L341 HydrophobicContact CD2-CD2 3.26Å; L313-L341 HydrophobicContact CD2-CG 3.76Å; L313-L341 HydrophobicContact CG-CD2 4.06Å; L313-L341 HydrophobicContact CG-CG 4.47Å |
| 314 | N | 86.3 | Confident | 77.6 | Confident | 91 Ų | 91 | 61 Ų | 61 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 178.7 | -71.3 | -17.2 | 0 | 0 | 0 | 111.6 | L310 E311 D317 G318 | L310-N314 PolarHBondContact O-N 3.45Å; L310-N314 PolarHBondContact O-ND2 3.36Å; E311-N314 WeakPolarHBondContact O-CB 3.2Å; E311-N314 PolarHBondContact O-N 3.41Å; E311-N314 VanDerWaalsContact O-N 3.09Å; N314-D317 PolarHBondContact O-N 3.48Å; N314-G318 PolarHBondContact O-N 2.94Å |
| 315 | Q | 84.9 | Confident | 77.7 | Confident | 52 Ų | 52 | 61.1 Ų | 61.1 | 24% | 0.243 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 175.6 | -65.9 | -57.7 | -37.9 | 0 | 0 | 110.2 | V267 F271 E311 D317 G318 F319 | V267-Q315 HydrophobicContact CG1-CG 4.12Å; F271-Q315 HydrophobicContact CD2-CB 3.38Å; F271-Q315 HydrophobicContact CD2-CG 3.89Å; F271-Q315 HydrophobicContact CE2-CB 3.58Å; F271-Q315 HydrophobicContact CE2-CG 4.41Å; F271-Q315 HydrophobicContact CG-CB 4.08Å; F271-Q315 HydrophobicContact CZ-CB 4.4Å; E311-Q315 HydrophobicContact CG-CG 4.48Å; E311-Q315 WeakPolarHBondContact O-CG 3.4Å; E311-Q315 PolarHBondContact O-N 3.45Å; E311-Q315 PolarHBondContact OE1-NE2 2.87Å; Q315-D317 VanDerWaalsContact C-N 3.31Å; Q315-D317 PolarHBondContact O-N 3Å; Q315-G318 PolarHBondContact O-N 2.71Å; Q315-G318 VanDerWaalsContact O-N 3.12Å; Q315-F319 HydrophobicContact CB-CE2 4.36Å; Q315-F319 WeakPolarHBondContact O-CD2 3.49Å; Q315-F319 WeakPolarHBondContact O-CE2 3.46Å; Q315-F319 PolarHBondContact O-N 2.9Å |
| 316 | L | 81.7 | Confident | 77.8 | Confident | 11 Ų | 11 | 61 Ų | 61 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.6 | -39.1 | 176.6 | -72.6 | 173.8 | 0 | 0 | 0 | 114.1 | F271 L312 L313 V327 M329 | F271-L316 HydrophobicContact CE1-CD2 4.13Å; F271-L316 HydrophobicContact CZ-CD2 3.64Å; F271-L316 HydrophobicContact CZ-CG 4.03Å; L312-L316 HydrophobicContact CD2-CD1 3.67Å; L312-L316 HydrophobicContact CD2-CG 4.49Å; L312-L316 HydrophobicContact CG-CD1 4.35Å; L312-L316 WeakPolarHBondContact O-CB 3.33Å; L312-L316 WeakPolarHBondContact O-CG 3.43Å; L312-L316 PolarHBondContact O-N 2.93Å; L313-L316 PolarHBondContact O-N 3.34Å; L316-V327 HydrophobicContact CD2-CB 4.01Å; L316-V327 HydrophobicContact CD2-CG1 4.01Å; L316-V327 HydrophobicContact CD2-CG2 3.58Å; L316-M329 HydrophobicContact CD1-CE 4.11Å |
| 317 | D | 76 | Confident | 78 | Confident | 69 Ų | 69 | 56.3 Ų | 56.3 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -72.9 | -39.5 | 176 | -85.5 | -16.4 | 0 | 0 | 0 | 112.4 | L313 N314 Q315 F319 R346 | L313-D317 PolarHBondContact O-N 3.09Å; N314-D317 PolarHBondContact O-N 3.48Å; Q315-D317 VanDerWaalsContact C-N 3.31Å; Q315-D317 PolarHBondContact O-N 3Å; D317-F319 PolarHBondContact O-N 3.05Å; D317-R346 WeakPolarHBondContact OD1-CD 3.48Å; D317-R346 WeakPolarHBondContact OD1-CG 3.37Å; D317-R346 IonicContact OD1-CZ 3.67Å; D317-R346 IonicContact OD1-NE 2.79Å; D317-R346 PolarHBondContact OD1-NE 3.42Å; D317-R346 IonicContact OD2-CZ 2.78Å; D317-R346 IonicContact OD2-NE 3.21Å; D317-R346 PolarHBondContact OD2-NE 3.27Å; D317-R346 IonicContact OD2-NH2 3.5Å; D317-R346 PolarHBondContact OD2-NH2 3.18Å |
| 318 | G | 66.8 | Low | 78.2 | Confident | 57 Ų | 57 | 49.5 Ų | 49.5 | 59% | 0.588 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.9 | -15.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N314 Q315 D320 | N314-G318 PolarHBondContact O-N 2.94Å; Q315-G318 PolarHBondContact O-N 2.71Å; Q315-G318 VanDerWaalsContact O-N 3.12Å; G318-D320 PolarHBondContact O-N 3.15Å |
| 319 | F | 62.4 | Low | 78.3 | Confident | 41 Ų | 41 | 49.5 Ų | 49.5 | 18% | 0.18 | 27% | 0.273 | C | S | . | . | trans | -69.1 | 92 | 173.4 | -63.5 | -62.6 | 0 | 0 | 0 | 111 | K220 F271 Q315 D317 | K220-F319 PolarHBondContact NZ-O 3.16Å; F271-F319 HydrophobicContact CB-CE1 4.49Å; F271-F319 HydrophobicContact CB-CZ 3.7Å; F271-F319 HydrophobicContact CD1-CE1 4.18Å; F271-F319 AromaticContact CD1-CE2 3.27Å; F271-F319 HydrophobicContact CD1-CE2 3.27Å; F271-F319 AromaticContact CD1-CZ 3.08Å; F271-F319 HydrophobicContact CD1-CZ 3.08Å; F271-F319 HydrophobicContact CD2-CE2 4.46Å; F271-F319 HydrophobicContact CD2-CZ 4.33Å; F271-F319 HydrophobicContact CE1-CD2 4.41Å; F271-F319 AromaticContact CE1-CE2 3.34Å; F271-F319 HydrophobicContact CE1-CE2 3.34Å; F271-F319 AromaticContact CE1-CZ 3.72Å; F271-F319 HydrophobicContact CE1-CZ 3.72Å; F271-F319 AromaticContact CG-CE2 3.88Å; F271-F319 HydrophobicContact CG-CE2 3.88Å; F271-F319 AromaticContact CG-CZ 3.45Å; F271-F319 HydrophobicContact CG-CZ 3.45Å; F271-F319 VanDerWaalsContact CG-CZ 3.45Å; F271-F319 HydrophobicContact CZ-CE2 4.02Å; Q315-F319 HydrophobicContact CB-CE2 4.36Å; Q315-F319 WeakPolarHBondContact O-CD2 3.49Å; Q315-F319 WeakPolarHBondContact O-CE2 3.46Å; Q315-F319 PolarHBondContact O-N 2.9Å; D317-F319 PolarHBondContact O-N 3.05Å | ||
| 320 | D | 55.2 | Low | 78.6 | Confident | 118 Ų | 118 | 49.3 Ų | 49.3 | 63% | 0.631 | 27% | 0.272 | S | S | * | . | trans | -93.4 | 110.8 | 174.8 | -142.3 | -0.3 | 0 | 0 | 0 | 110.8 | G318 R322 | G318-D320 PolarHBondContact O-N 3.15Å; D320-R322 VanDerWaalsContact C-N 3.28Å; D320-R322 PolarHBondContact O-N 2.89Å | ||
| 321 | S | 55.1 | Low | 78.8 | Confident | 101 Ų | 101 | 45.5 Ų | 45.5 | 71% | 0.706 | 25% | 0.252 | S | S | * | . | S | Bend | trans | 58.1 | -9.4 | 154.7 | 69.2 | 0 | 0 | 0 | 0 | 122 | ||
| 322 | R | 56.1 | Low | 78.9 | Confident | 231 Ų | 231 | 47.3 Ų | 47.3 | 87% | 0.872 | 26% | 0.262 | S | S | * | . | trans | -118 | -24.9 | -174.2 | -74.9 | -175.9 | 171.6 | -173.2 | -2.8 | 116.6 | D320 | D320-R322 VanDerWaalsContact C-N 3.28Å; D320-R322 PolarHBondContact O-N 2.89Å | ||
| 323 | G | 60.6 | Low | 78.7 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 37% | 0.371 | 29% | 0.29 | S | S | . | . | trans | -85.2 | 124.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V325 | G323-V325 PolarHBondContact O-N 2.8Š| ||
| 324 | D | 79.2 | Confident | 78.8 | Confident | 80 Ų | 80 | 56.2 Ų | 56.2 | 43% | 0.428 | 30% | 0.298 | S | S | . | . | trans | -74.4 | 42.4 | 168.1 | -71.7 | -37.5 | 0 | 0 | 0 | 112.1 | L205 P279 S280 | L205-D324 HydrophobicContact CD2-CB 4.13Å; P279-D324 HydrophobicContact CB-CB 3.89Å; S280-D324 PolarHBondContact N-O 3.42Å; S280-D324 VanDerWaalsContact N-O 3.15Å | ||
| 325 | V | 86.1 | Confident | 78.8 | Confident | 15 Ų | 15 | 57.4 Ų | 57.4 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 120.7 | 179.5 | -174.3 | 0 | 0 | 0 | 0 | 109 | A274 S280 V282 G323 | A274-V325 HydrophobicContact CB-CG1 3.97Å; A274-V325 HydrophobicContact CB-CG2 4.43Å; S280-V325 WeakPolarHBondContact O-CA 3.17Å; V282-V325 HydrophobicContact CG2-CG1 3.97Å; G323-V325 PolarHBondContact O-N 2.8Å |
| 326 | K | 87.3 | Confident | 78.7 | Confident | 13 Ų | 13 | 57 Ų | 57 | 6% | 0.057 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 135 | 177.2 | -58.1 | -57 | -179 | -171.6 | 0 | 110.6 | V201 P219 S280 I281 V282 | V201-K326 HydrophobicContact CG1-CB 4.29Å; V201-K326 HydrophobicContact CG1-CG 4.45Å; P219-K326 PolarHBondContact O-NZ 3.41Å; S280-K326 PolarHBondContact O-N 2.89Å; I281-K326 CarbonylContact C-O 3.6Å; I281-K326 WeakPolarHBondContact CA-O 3.42Å; I281-K326 HydrophobicContact CG1-CB 4.48Å; V282-K326 PolarHBondContact N-O 3.19Å |
| 327 | V | 89.4 | Confident | 78.8 | Confident | 7 Ų | 7 | 56.5 Ų | 56.5 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 125.3 | -179.5 | -172.7 | 0 | 0 | 0 | 0 | 111 | K220 G221 V222 F271 V282 I284 L316 M329 | K220-V327 PolarHBondContact O-N 3.26Å; G221-V327 VanDerWaalsContact CA-O 3.29Å; G221-V327 WeakPolarHBondContact CA-O 3.2Å; V222-V327 PolarHBondContact N-O 2.95Å; F271-V327 HydrophobicContact CE1-CG2 4.12Å; V282-V327 HydrophobicContact CB-CG2 4.32Å; V282-V327 CarbonylContact O-C 3.4Å; V282-V327 WeakPolarHBondContact O-CA 3.41Å; I284-V327 HydrophobicContact CD1-CG1 4.28Å; L316-V327 HydrophobicContact CD2-CB 4.01Å; L316-V327 HydrophobicContact CD2-CG1 4.01Å; L316-V327 HydrophobicContact CD2-CG2 3.58Å; V327-M329 HydrophobicContact CG1-CE 4.06Å; V327-M329 HydrophobicContact CG1-CG 4.18Å |
| 328 | I | 90.8 | Very high | 79.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 121.4 | 174.8 | -56.9 | 175.4 | 0 | 0 | 0 | 108 | V201 V222 L224 A236 I281 V282 F283 I284 | V201-I328 HydrophobicContact CG1-CD1 4.49Å; V201-I328 HydrophobicContact CG2-CD1 4.14Å; V201-I328 HydrophobicContact CG2-CG1 4.25Å; V222-I328 WeakPolarHBondContact O-CA 3.37Å; L224-I328 HydrophobicContact CD1-CG2 3.82Å; L224-I328 HydrophobicContact CG-CG2 4.05Å; A236-I328 HydrophobicContact CB-CG2 4.3Å; I281-I328 HydrophobicContact CG2-CD1 3.72Å; I281-I328 HydrophobicContact CG2-CG1 4.13Å; V282-I328 PolarHBondContact O-N 2.9Å; F283-I328 WeakPolarHBondContact CA-O 3.35Å; F283-I328 HydrophobicContact CD2-CB 3.93Å; F283-I328 HydrophobicContact CD2-CG2 3.72Å; F283-I328 HydrophobicContact CE2-CG2 4.05Å; I284-I328 PolarHBondContact N-O 3.3Å |
| 329 | M | 91.5 | Very high | 79.9 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 129.3 | 178.4 | -69.2 | 173.8 | -108.5 | 0 | 0 | 109.9 | V222 I223 L224 I284 I287 L316 V327 I347 | V222-M329 PolarHBondContact O-N 3.17Å; I223-M329 CarbonylContact C-O 3.55Å; I223-M329 WeakPolarHBondContact CA-O 3.25Å; I223-M329 HydrophobicContact CG1-CB 3.99Å; I223-M329 HydrophobicContact CG1-SD 4.47Å; L224-M329 PolarHBondContact N-O 3.24Å; I284-M329 HydrophobicContact CB-CG 4.39Å; I284-M329 WeakPolarHBondContact O-CA 3.4Å; I287-M329 HydrophobicContact CD1-CB 4.29Å; I287-M329 HydrophobicContact CD1-CG 3.78Å; I287-M329 HydrophobicContact CD1-SD 3.42Å; I287-M329 WeakPolarHBondContact CD1-SD 3.37Å; I287-M329 HydrophobicContact CG2-CB 4.42Å; L316-M329 HydrophobicContact CD1-CE 4.11Å; V327-M329 HydrophobicContact CG1-CE 4.06Å; V327-M329 HydrophobicContact CG1-CG 4.18Å; M329-I347 HydrophobicContact CE-CD1 3.29Å; M329-I347 HydrophobicContact CE-CG1 3.58Å; M329-I347 HydrophobicContact SD-CD1 3.82Å |
| 330 | A | 92.2 | Very high | 80.7 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 131.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | L224 F283 I284 E286 I287 | L224-A330 WeakPolarHBondContact O-CA 3.5Å; F283-A330 HydrophobicContact CE2-CB 3.92Å; F283-A330 HydrophobicContact CZ-CB 4.02Å; I284-A330 PolarHBondContact O-N 3.22Å; E286-A330 PolarHBondContact N-O 2.95Å; E286-A330 VanDerWaalsContact N-O 3.17Å; I287-A330 PolarHBondContact N-O 3.38Å; I287-A330 VanDerWaalsContact N-O 3.16Å |
| 331 | T | 91.3 | Very high | 81.9 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 142.8 | 176.5 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | I223 L224 Y225 K232 R333 I334 L337 | I223-T331 HydrophobicContact CG2-CG2 4.13Å; L224-T331 PolarHBondContact O-N 2.93Å; Y225-T331 WeakPolarHBondContact CA-O 3.24Å; K232-T331 PolarHBondContact NZ-O 3.24Å; T331-R333 PolarHBondContact OG1-N 3.01Å; T331-R333 PolarHBondContact OG1-O 2.87Å; T331-R333 VanDerWaalsContact OG1-O 3.11Å; T331-I334 HydrophobicContact CG2-CB 4.46Å; T331-L337 HydrophobicContact CG2-CD1 3.73Å |
| 332 | N | 90.1 | Very high | 83 | Confident | 61 Ų | 61 | 46.7 Ų | 46.7 | 33% | 0.326 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -82.6 | -24.4 | 172.3 | -67.8 | -37.3 | 0 | 0 | 0 | 112.9 | G226 K232 | G226-N332 CarbonylContact O-C 3.54Å; K232-N332 PolarHBondContact NZ-OD1 2.95Å |
| 333 | R | 84.9 | Confident | 84.2 | Confident | 151 Ų | 151 | 44 Ų | 44 | 57% | 0.57 | 23% | 0.225 | S | C | * | . | trans | -138.3 | 102.6 | -173.5 | -70 | -174 | -170.6 | 177.4 | 2.1 | 109.2 | T331 E335 T336 | T331-R333 PolarHBondContact OG1-N 3.01Å; T331-R333 PolarHBondContact OG1-O 2.87Å; T331-R333 VanDerWaalsContact OG1-O 3.11Å; R333-E335 VanDerWaalsContact C-N 3.27Å; R333-E335 WeakPolarHBondContact CA-OE2 3.16Å; R333-E335 VanDerWaalsContact CB-OE1 3.24Å; R333-E335 WeakPolarHBondContact CB-OE1 3.41Å; R333-E335 VanDerWaalsContact CG-OE1 3.29Å; R333-E335 WeakPolarHBondContact CG-OE1 3.31Å; R333-E335 PolarHBondContact O-N 3.15Å; R333-T336 HydrophobicContact CB-CG2 4.12Å; R333-T336 WeakPolarHBondContact CB-OG1 3.43Å; R333-T336 PolarHBondContact O-OG1 3.24Å | ||
| 334 | I | 86.5 | Confident | 84.9 | Confident | 39 Ų | 39 | 47.5 Ų | 47.5 | 20% | 0.2 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -72.9 | -26.3 | -178.9 | -167.5 | 167.1 | 0 | 0 | 0 | 111.6 | Y225 T331 T336 L337 I342 | Y225-I334 HydrophobicContact CD1-CD1 3.84Å; Y225-I334 HydrophobicContact CD2-CB 3.97Å; Y225-I334 HydrophobicContact CD2-CD1 4.04Å; Y225-I334 HydrophobicContact CD2-CG2 3.78Å; Y225-I334 HydrophobicContact CE1-CD1 4.06Å; Y225-I334 HydrophobicContact CE2-CD1 4.23Å; Y225-I334 HydrophobicContact CE2-CG2 4.12Å; Y225-I334 HydrophobicContact CG-CB 4.11Å; Y225-I334 HydrophobicContact CG-CD1 3.82Å; Y225-I334 HydrophobicContact CG-CG2 4.42Å; T331-I334 HydrophobicContact CG2-CB 4.46Å; I334-T336 VanDerWaalsContact C-N 3.32Å; I334-T336 PolarHBondContact O-N 3.1Å; I334-L337 WeakPolarHBondContact O-CB 3.48Å; I334-L337 PolarHBondContact O-N 3.39Å; I334-I342 HydrophobicContact CG1-CD1 3.98Å |
| 335 | E | 86.6 | Confident | 84.6 | Confident | 116 Ų | 116 | 45.7 Ų | 45.7 | 54% | 0.542 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -30.3 | -179.4 | 65.8 | -77.3 | -178.9 | 0 | 0 | 113.5 | K293 R333 L337 | K293-E335 PolarHBondContact NZ-O 3.49Å; R333-E335 VanDerWaalsContact C-N 3.27Å; R333-E335 WeakPolarHBondContact CA-OE2 3.16Å; R333-E335 VanDerWaalsContact CB-OE1 3.24Å; R333-E335 WeakPolarHBondContact CB-OE1 3.41Å; R333-E335 VanDerWaalsContact CG-OE1 3.29Å; R333-E335 WeakPolarHBondContact CG-OE1 3.31Å; R333-E335 PolarHBondContact O-N 3.15Å; E335-L337 VanDerWaalsContact C-N 3.32Å |
| 336 | T | 84.1 | Confident | 84.2 | Confident | 43 Ų | 43 | 47 Ų | 47 | 26% | 0.264 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -20.6 | 178.5 | 50.2 | 0 | 0 | 0 | 0 | 112.7 | T292 K293 R333 I334 | T292-T336 WeakPolarHBondContact CA-O 3.38Å; K293-T336 PolarHBondContact N-O 3.41Å; R333-T336 HydrophobicContact CB-CG2 4.12Å; R333-T336 WeakPolarHBondContact CB-OG1 3.43Å; R333-T336 PolarHBondContact O-OG1 3.24Å; I334-T336 VanDerWaalsContact C-N 3.32Å; I334-T336 PolarHBondContact O-N 3.1Å |
| 337 | L | 83.4 | Confident | 83.9 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -70.7 | 145.7 | -178.4 | -65.6 | -178.5 | 0 | 0 | 0 | 112.5 | I287 D288 G291 K293 T331 I334 E335 L341 I342 | I287-L337 HydrophobicContact CG2-CD1 4.22Å; I287-L337 HydrophobicContact CG2-CD2 4Å; D288-L337 HydrophobicContact CB-CD2 4.21Å; G291-L337 CarbonylContact O-C 3.39Å; G291-L337 VanDerWaalsContact O-CA 3.28Å; G291-L337 WeakPolarHBondContact O-CA 3.48Å; K293-L337 WeakPolarHBondContact CE-O 3.22Å; K293-L337 PolarHBondContact NZ-O 3.02Å; T331-L337 HydrophobicContact CG2-CD1 3.73Å; I334-L337 WeakPolarHBondContact O-CB 3.48Å; I334-L337 PolarHBondContact O-N 3.39Å; E335-L337 VanDerWaalsContact C-N 3.32Å; L337-L341 HydrophobicContact CD2-CD1 4.47Å; L337-I342 HydrophobicContact CB-CD1 4.1Å |
| 338 | D | 82.3 | Confident | 83.5 | Confident | 39 Ų | 39 | 49.6 Ų | 49.6 | 21% | 0.209 | 26% | 0.259 | C | S | . | . | trans | -58.2 | 129 | 171.8 | -166.9 | -35.1 | 0 | 0 | 0 | 110.6 | G291 M309 A340 L341 | G291-D338 PolarHBondContact O-N 2.84Å; M309-D338 HydrophobicContact CE-CB 4.26Å; M309-D338 WeakPolarHBondContact CE-OD2 3.29Å; M309-D338 HydrophobicContact SD-CB 3.94Å; D338-A340 PolarHBondContact O-N 3.18Å; D338-A340 VanDerWaalsContact OD1-CB 3.24Å; D338-A340 WeakPolarHBondContact OD1-CB 3.24Å; D338-A340 PolarHBondContact OD1-N 2.83Å; D338-L341 HydrophobicContact CB-CD1 4.47Å; D338-L341 WeakPolarHBondContact O-CB 3.28Å; D338-L341 PolarHBondContact O-N 2.95Å | ||
| 339 | P | 82 | Confident | 83.4 | Confident | 74 Ų | 74 | 55.5 Ų | 55.5 | 48% | 0.481 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -22.3 | 175.5 | -23.3 | 36.5 | 0 | 0 | 0 | 113.3 | L341 I342 R343 | P339-L341 VanDerWaalsContact C-N 3.3Å; P339-L341 PolarHBondContact O-N 2.81Å; P339-I342 PolarHBondContact O-N 2.97Å; P339-I342 VanDerWaalsContact O-N 3.16Å; P339-R343 PolarHBondContact O-N 3.38Å |
| 340 | A | 80.3 | Confident | 83.3 | Confident | 31 Ų | 31 | 59.6 Ų | 59.6 | 26% | 0.256 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -32.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | L313 D338 R346 | L313-A340 HydrophobicContact CD1-CB 3.91Å; D338-A340 PolarHBondContact O-N 3.18Å; D338-A340 VanDerWaalsContact OD1-CB 3.24Å; D338-A340 WeakPolarHBondContact OD1-CB 3.24Å; D338-A340 PolarHBondContact OD1-N 2.83Å; A340-R346 WeakPolarHBondContact O-CD 3.36Å; A340-R346 PolarHBondContact O-NH1 3.46Å |
| 341 | L | 80.1 | Confident | 83.2 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -39.6 | 172.8 | -75.3 | 160.9 | 0 | 0 | 0 | 110.8 | I287 L312 L313 L337 D338 P339 R343 I347 | I287-L341 HydrophobicContact CD1-CD1 4.49Å; I287-L341 HydrophobicContact CD1-CD2 4.32Å; L312-L341 HydrophobicContact CD2-CD2 4.16Å; L313-L341 HydrophobicContact CD2-CB 4.37Å; L313-L341 HydrophobicContact CD2-CD2 3.26Å; L313-L341 HydrophobicContact CD2-CG 3.76Å; L313-L341 HydrophobicContact CG-CD2 4.06Å; L313-L341 HydrophobicContact CG-CG 4.47Å; L337-L341 HydrophobicContact CD2-CD1 4.47Å; D338-L341 HydrophobicContact CB-CD1 4.47Å; D338-L341 WeakPolarHBondContact O-CB 3.28Å; D338-L341 PolarHBondContact O-N 2.95Å; P339-L341 VanDerWaalsContact C-N 3.3Å; P339-L341 PolarHBondContact O-N 2.81Å; L341-R343 PolarHBondContact O-N 2.67Å; L341-I347 WeakPolarHBondContact O-CD1 2.87Å; L341-I347 WeakPolarHBondContact O-CG1 3.49Å |
| 342 | I | 79.4 | Confident | 83.2 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 18% | 0.179 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -81.1 | -3.9 | -168.6 | -59.1 | 175.3 | 0 | 0 | 0 | 112.7 | I334 L337 P339 K350 | I334-I342 HydrophobicContact CG1-CD1 3.98Å; L337-I342 HydrophobicContact CB-CD1 4.1Å; P339-I342 PolarHBondContact O-N 2.97Å; P339-I342 VanDerWaalsContact O-N 3.16Å; I342-K350 HydrophobicContact CG2-CD 4.27Å; I342-K350 WeakPolarHBondContact O-CE 3.36Å; I342-K350 PolarHBondContact O-NZ 3.08Å |
| 343 | R | 81.2 | Confident | 83.2 | Confident | 174 Ų | 174 | 61.9 Ų | 61.9 | 66% | 0.657 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -66.5 | 131.9 | -175.7 | -166.6 | 178.2 | -176.5 | -176.7 | 0.2 | 111.3 | P339 L341 G345 R346 | P339-R343 PolarHBondContact O-N 3.38Å; L341-R343 PolarHBondContact O-N 2.67Å; R343-G345 PolarHBondContact O-N 3.18Å; R343-R346 PolarHBondContact O-N 2.9Å |
| 344 | P | 74.1 | Confident | 83.3 | Confident | 109 Ų | 109 | 57.5 Ų | 57.5 | 71% | 0.708 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 136 | 175.6 | 24.6 | -33.6 | 0 | 0 | 0 | 110.7 | ||
| 345 | G | 72.6 | Confident | 83.3 | Confident | 42 Ų | 42 | 59.3 Ų | 59.3 | 43% | 0.433 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 113 | -30.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114 | R343 | R343-G345 PolarHBondContact O-N 3.18Š|
| 346 | R | 78.9 | Confident | 83.2 | Confident | 42 Ų | 42 | 54.5 Ų | 54.5 | 16% | 0.158 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -46.1 | 170 | -71.4 | 168.4 | -177.5 | -174.2 | -8.1 | 111.1 | D317 A340 R343 | D317-R346 WeakPolarHBondContact OD1-CD 3.48Å; D317-R346 WeakPolarHBondContact OD1-CG 3.37Å; D317-R346 IonicContact OD1-CZ 3.67Å; D317-R346 IonicContact OD1-NE 2.79Å; D317-R346 PolarHBondContact OD1-NE 3.42Å; D317-R346 IonicContact OD2-CZ 2.78Å; D317-R346 IonicContact OD2-NE 3.21Å; D317-R346 PolarHBondContact OD2-NE 3.27Å; D317-R346 IonicContact OD2-NH2 3.5Å; D317-R346 PolarHBondContact OD2-NH2 3.18Å; A340-R346 WeakPolarHBondContact O-CD 3.36Å; A340-R346 PolarHBondContact O-NH1 3.46Å; R343-R346 PolarHBondContact O-N 2.9Å |
| 347 | I | 80.5 | Confident | 83.3 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.015 | 30% | 0.304 | C | S | . | . | trans | -129.9 | 108.9 | -175.4 | -54.3 | 179.1 | 0 | 0 | 0 | 107 | I223 M329 L341 R349 | I223-I347 HydrophobicContact CB-CG2 4.15Å; I223-I347 HydrophobicContact CD1-CB 4.47Å; I223-I347 HydrophobicContact CD1-CD1 3.16Å; I223-I347 HydrophobicContact CD1-CG1 4.32Å; I223-I347 HydrophobicContact CD1-CG2 3.9Å; I223-I347 HydrophobicContact CG1-CD1 3.56Å; I223-I347 HydrophobicContact CG1-CG1 4.48Å; I223-I347 HydrophobicContact CG1-CG2 3.69Å; M329-I347 HydrophobicContact CE-CD1 3.29Å; M329-I347 HydrophobicContact CE-CG1 3.58Å; M329-I347 HydrophobicContact SD-CD1 3.82Å; L341-I347 WeakPolarHBondContact O-CD1 2.87Å; L341-I347 WeakPolarHBondContact O-CG1 3.49Å; I347-R349 WeakPolarHBondContact CG2-O 3.42Å | ||
| 348 | D | 81.6 | Confident | 83.4 | Confident | 72 Ų | 72 | 63.9 Ų | 63.9 | 39% | 0.385 | 33% | 0.332 | S | S | . | . | trans | -85.8 | -29.6 | -174.4 | -60.9 | -68.9 | 0 | 0 | 0 | 111.6 | P219 K220 G221 | P219-D348 WeakPolarHBondContact CA-OD2 2.95Å; P219-D348 HydrophobicContact CB-CB 3.75Å; K220-D348 PolarHBondContact N-OD2 2.85Å; G221-D348 PolarHBondContact O-N 2.91Å; G221-D348 VanDerWaalsContact O-N 3.12Å | ||
| 349 | R | 87.2 | Confident | 83.6 | Confident | 125 Ų | 125 | 70.9 Ų | 70.9 | 47% | 0.472 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 132.7 | -173.9 | -62.5 | -67.3 | -175.5 | 167.8 | 0.4 | 112.3 | S200 G221 V222 I223 I347 | S200-R349 WeakPolarHBondContact OG-CG 3.38Å; G221-R349 PolarHBondContact O-N 2.95Å; V222-R349 WeakPolarHBondContact CA-O 3.43Å; V222-R349 HydrophobicContact CG1-CB 4.31Å; V222-R349 HydrophobicContact CG2-CB 4.31Å; I223-R349 PolarHBondContact N-O 2.96Å; I347-R349 WeakPolarHBondContact CG2-O 3.42Å |
| 350 | K | 89.6 | Confident | 83.9 | Confident | 88 Ų | 88 | 68.3 Ų | 68.3 | 38% | 0.383 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 104.9 | 179.1 | -58.9 | 173.7 | -169.5 | 171.1 | 0 | 107.4 | Y225 I342 | Y225-K350 HydrophobicContact CE1-CB 3.92Å; I342-K350 HydrophobicContact CG2-CD 4.27Å; I342-K350 WeakPolarHBondContact O-CE 3.36Å; I342-K350 PolarHBondContact O-NZ 3.08Å |
| 351 | I | 90.5 | Very high | 84.2 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 115.8 | -175.5 | -54.2 | -179.3 | 0 | 0 | 0 | 108.3 | Q193 E196 I197 V222 I223 L224 Y225 F353 | Q193-I351 HydrophobicContact CB-CG2 3.67Å; Q193-I351 HydrophobicContact CG-CG2 3.56Å; E196-I351 HydrophobicContact CB-CD1 3.98Å; E196-I351 HydrophobicContact CB-CG1 4.39Å; I197-I351 HydrophobicContact CB-CD1 3.8Å; I197-I351 HydrophobicContact CG1-CD1 4.24Å; V222-I351 HydrophobicContact CG1-CD1 3.59Å; V222-I351 HydrophobicContact CG1-CG1 3.92Å; I223-I351 PolarHBondContact O-N 2.6Å; L224-I351 HydrophobicContact CD2-CB 3.96Å; L224-I351 HydrophobicContact CD2-CD1 3.99Å; L224-I351 HydrophobicContact CD2-CG1 4.34Å; Y225-I351 VanDerWaalsContact CD1-O 3.23Å; Y225-I351 WeakPolarHBondContact CD1-O 3.47Å; Y225-I351 PolarHBondContact N-O 2.86Å; I351-F353 HydrophobicContact CB-CE2 4.43Å; I351-F353 HydrophobicContact CG2-CD2 4.48Å; I351-F353 HydrophobicContact CG2-CE2 3.97Å |
| 352 | E | 90.9 | Very high | 84.6 | Confident | 112 Ų | 112 | 71 Ų | 71 | 52% | 0.523 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 133.2 | 174.6 | -167.4 | 176.4 | 177.2 | 0 | 0 | 110.6 | Q193 Y225 P354 | Q193-E352 WeakPolarHBondContact CG-O 3.19Å; Q193-E352 PolarHBondContact NE2-O 2.8Å; Y225-E352 HydrophobicContact CD2-CG 4.25Å; Y225-E352 HydrophobicContact CE1-CB 3.95Å; Y225-E352 HydrophobicContact CE2-CB 3.88Å; Y225-E352 HydrophobicContact CE2-CG 3.64Å; E352-P354 VanDerWaalsContact O-CD 3.23Å; E352-P354 WeakPolarHBondContact O-CD 3.43Å |
| 353 | F | 89.9 | Confident | 85 | Confident | 1 Ų | 1 | 75.8 Ų | 75.8 | 0% | 0.004 | 37% | 0.365 | C | S | . | . | trans | -101.5 | 99.9 | 172.6 | -73.2 | -105.4 | 0 | 0 | 0 | 108.9 | L190 L224 Y225 P227 T230 K232 L235 I351 | L190-F353 HydrophobicContact CD1-CD1 3.75Å; L190-F353 HydrophobicContact CD1-CE1 3.98Å; L224-F353 HydrophobicContact CB-CD2 4.38Å; L224-F353 HydrophobicContact CB-CE2 3.65Å; L224-F353 HydrophobicContact CB-CZ 4.38Å; L224-F353 HydrophobicContact CD1-CE2 4.39Å; L224-F353 HydrophobicContact CD1-CZ 4.34Å; L224-F353 HydrophobicContact CD2-CE2 3.78Å; L224-F353 HydrophobicContact CD2-CZ 4.17Å; L224-F353 HydrophobicContact CG-CE2 4.12Å; Y225-F353 WeakPolarHBondContact O-CD2 3.19Å; Y225-F353 PolarHBondContact O-N 2.89Å; P227-F353 WeakPolarHBondContact CD-O 3.45Å; T230-F353 HydrophobicContact CG2-CB 4.4Å; T230-F353 WeakPolarHBondContact OG1-CB 3.37Å; K232-F353 HydrophobicContact CB-CZ 4.47Å; K232-F353 HydrophobicContact CD-CD2 4.31Å; K232-F353 HydrophobicContact CG-CB 4.42Å; K232-F353 HydrophobicContact CG-CD1 4.09Å; K232-F353 HydrophobicContact CG-CD2 3.74Å; K232-F353 HydrophobicContact CG-CE1 4.27Å; K232-F353 HydrophobicContact CG-CE2 3.95Å; K232-F353 HydrophobicContact CG-CG 3.81Å; K232-F353 HydrophobicContact CG-CZ 4.18Å; L235-F353 HydrophobicContact CB-CE1 4.47Å; L235-F353 HydrophobicContact CB-CZ 4.37Å; L235-F353 HydrophobicContact CD2-CE1 4.02Å; L235-F353 HydrophobicContact CD2-CZ 3.54Å; I351-F353 HydrophobicContact CB-CE2 4.43Å; I351-F353 HydrophobicContact CG2-CD2 4.48Å; I351-F353 HydrophobicContact CG2-CE2 3.97Å | ||
| 354 | P | 87.9 | Confident | 85.4 | Confident | 59 Ų | 59 | 68.5 Ų | 68.5 | 38% | 0.383 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 166.3 | 173 | 30.3 | -35.2 | 0 | 0 | 0 | 110.9 | L190 E352 | L190-P354 HydrophobicContact CD2-CG 4.41Å; E352-P354 VanDerWaalsContact O-CD 3.23Å; E352-P354 WeakPolarHBondContact O-CD 3.43Å |
| 355 | L | 85.8 | Confident | 86.1 | Confident | 76 Ų | 76 | 63.5 Ų | 63.5 | 40% | 0.398 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 147.1 | 164.9 | -71.5 | 167.8 | 0 | 0 | 0 | 109.7 | P227 D357 | P227-L355 HydrophobicContact CB-CD2 4.49Å; P227-L355 HydrophobicContact CG-CD2 3.89Å; P227-L355 HydrophobicContact CG-CG 4.09Å; L355-D357 PolarHBondContact O-N 3.44Å |
| 356 | P | 85.4 | Confident | 86.9 | Confident | 15 Ų | 15 | 64.9 Ų | 64.9 | 10% | 0.097 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -70 | 128.7 | -173.3 | 27.5 | -34.4 | 0 | 0 | 0 | 112 | T360 K361 I364 L390 | P356-T360 HydrophobicContact CB-CG2 3.61Å; P356-K361 HydrophobicContact CB-CG 4.02Å; P356-K361 HydrophobicContact CG-CG 4.04Å; P356-K361 WeakPolarHBondContact O-CE 3.35Å; P356-I364 HydrophobicContact CB-CD1 4.15Å; P356-L390 WeakPolarHBondContact CD-O 2.82Å; P356-L390 WeakPolarHBondContact CG-O 3.32Å |
| 357 | D | 86 | Confident | 87.4 | Confident | 116 Ų | 116 | 64 Ų | 64 | 62% | 0.62 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 163.3 | 170.3 | -66.4 | -30 | 0 | 0 | 0 | 112.4 | L355 K359 T360 K361 | L355-D357 PolarHBondContact O-N 3.44Å; D357-K359 PolarHBondContact O-N 3.46Å; D357-K359 VanDerWaalsContact O-N 3.16Å; D357-T360 CarbonylContact O-C 3.55Å; D357-T360 WeakPolarHBondContact O-CA 3.43Å; D357-T360 WeakPolarHBondContact O-CB 3.11Å; D357-T360 PolarHBondContact O-N 3.24Å; D357-K361 WeakPolarHBondContact O-CG 3.39Å; D357-K361 PolarHBondContact O-N 2.79Å |
| 358 | E | 85.2 | Confident | 87.7 | Confident | 126 Ų | 126 | 66.6 Ų | 66.6 | 59% | 0.589 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -50.6 | -42.6 | 177 | -65 | 179.7 | 175.9 | 0 | 0 | 113.2 | K361 K362 I384 | E358-K361 PolarHBondContact O-N 3.37Å; E358-K362 PolarHBondContact O-N 2.96Å; E358-I384 HydrophobicContact CB-CG2 4.2Å |
| 359 | K | 86.6 | Confident | 87.9 | Confident | 185 Ų | 185 | 63.7 Ų | 63.7 | 80% | 0.804 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.8 | -42.7 | 176.1 | -66.9 | -179.2 | -178.1 | 174.2 | 0 | 111.8 | D357 K362 R363 | D357-K359 PolarHBondContact O-N 3.46Å; D357-K359 VanDerWaalsContact O-N 3.16Å; K359-K362 WeakPolarHBondContact O-CB 3.32Å; K359-K362 PolarHBondContact O-N 2.88Å; K359-R363 PolarHBondContact O-N 2.76Å; K359-R363 VanDerWaalsContact O-N 3.13Å |
| 360 | T | 87.6 | Confident | 87.9 | Confident | 21 Ų | 21 | 62 Ų | 62 | 13% | 0.129 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.1 | -45.6 | 177.9 | -59.4 | 0 | 0 | 0 | 0 | 110.6 | G188 P356 D357 K362 R363 I364 | G188-T360 WeakPolarHBondContact O-CG2 3.34Å; P356-T360 HydrophobicContact CB-CG2 3.61Å; D357-T360 CarbonylContact O-C 3.55Å; D357-T360 WeakPolarHBondContact O-CA 3.43Å; D357-T360 WeakPolarHBondContact O-CB 3.11Å; D357-T360 PolarHBondContact O-N 3.24Å; T360-K362 VanDerWaalsContact C-N 3.32Å; T360-K362 PolarHBondContact O-N 3.5Å; T360-R363 WeakPolarHBondContact O-CB 3.31Å; T360-R363 PolarHBondContact O-N 3.3Å; T360-I364 HydrophobicContact CG2-CD1 3.93Å; T360-I364 HydrophobicContact CG2-CG1 4.48Å; T360-I364 WeakPolarHBondContact O-CG1 3.39Å; T360-I364 PolarHBondContact O-N 3.43Å |
| 361 | K | 87.9 | Confident | 87.7 | Confident | 18 Ų | 18 | 68 Ų | 68 | 8% | 0.078 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -54.9 | -47.6 | 173.1 | -66 | -175.9 | -175.1 | 168.5 | 0 | 110.8 | P356 D357 E358 R363 I364 F365 I384 D388 I395 | P356-K361 HydrophobicContact CB-CG 4.02Å; P356-K361 HydrophobicContact CG-CG 4.04Å; P356-K361 WeakPolarHBondContact O-CE 3.35Å; D357-K361 WeakPolarHBondContact O-CG 3.39Å; D357-K361 PolarHBondContact O-N 2.79Å; E358-K361 PolarHBondContact O-N 3.37Å; K361-R363 VanDerWaalsContact C-N 3.27Å; K361-R363 PolarHBondContact O-N 3.37Å; K361-I364 PolarHBondContact O-N 2.94Å; K361-F365 VanDerWaalsContact O-CD2 3.29Å; K361-F365 WeakPolarHBondContact O-CD2 3.32Å; K361-F365 PolarHBondContact O-N 3.41Å; K361-I384 HydrophobicContact CB-CG2 4.15Å; K361-D388 PolarHBondContact NZ-O 3.34Å; K361-I395 HydrophobicContact CB-CD1 3.98Å; K361-I395 HydrophobicContact CG-CD1 3.92Å |
| 362 | K | 88 | Confident | 87.5 | Confident | 72 Ų | 72 | 70.6 Ų | 70.6 | 31% | 0.313 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -54.6 | -43.9 | 175.8 | -169.5 | 168.2 | 179.4 | 158.2 | 0 | 112.2 | E358 K359 T360 Q366 D381 I384 | E358-K362 PolarHBondContact O-N 2.96Å; K359-K362 WeakPolarHBondContact O-CB 3.32Å; K359-K362 PolarHBondContact O-N 2.88Å; T360-K362 VanDerWaalsContact C-N 3.32Å; T360-K362 PolarHBondContact O-N 3.5Å; K362-Q366 VanDerWaalsContact O-CG 3.29Å; K362-Q366 WeakPolarHBondContact O-CG 2.93Å; K362-Q366 PolarHBondContact O-N 2.9Å; K362-D381 WeakPolarHBondContact CD-OD1 2.98Å; K362-D381 WeakPolarHBondContact CE-OD1 3.42Å; K362-D381 VanDerWaalsContact NZ-CG 3.27Å; K362-D381 IonicContact NZ-OD1 3.75Å; K362-D381 PolarHBondContact NZ-OD1 2.95Å; K362-D381 IonicContact NZ-OD2 2.87Å; K362-D381 PolarHBondContact NZ-OD2 3.31Å; K362-I384 VanDerWaalsContact CA-CD1 3.43Å; K362-I384 HydrophobicContact CB-CD1 3.61Å; K362-I384 HydrophobicContact CD-CD1 4.47Å; K362-I384 HydrophobicContact CG-CD1 3.78Å |
| 363 | R | 88.4 | Confident | 87.3 | Confident | 135 Ų | 135 | 69.6 Ų | 69.6 | 51% | 0.509 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.9 | -43.1 | -179.9 | -165.5 | 61.1 | 175.3 | 164.1 | 0.5 | 112.2 | K359 T360 K361 Q366 I367 | K359-R363 PolarHBondContact O-N 2.76Å; K359-R363 VanDerWaalsContact O-N 3.13Å; T360-R363 WeakPolarHBondContact O-CB 3.31Å; T360-R363 PolarHBondContact O-N 3.3Å; K361-R363 VanDerWaalsContact C-N 3.27Å; K361-R363 PolarHBondContact O-N 3.37Å; R363-Q366 WeakPolarHBondContact O-CB 3.33Å; R363-Q366 PolarHBondContact O-N 3.38Å; R363-I367 HydrophobicContact CG-CD1 4.28Å; R363-I367 WeakPolarHBondContact O-CG1 3.45Å; R363-I367 PolarHBondContact O-N 3.06Å |
| 364 | I | 89.7 | Confident | 87.1 | Confident | 20 Ų | 20 | 72.1 Ų | 72.1 | 10% | 0.103 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 177.1 | -63.2 | 167.1 | 0 | 0 | 0 | 110.6 | P356 T360 K361 Q366 I367 H368 I395 | P356-I364 HydrophobicContact CB-CD1 4.15Å; T360-I364 HydrophobicContact CG2-CD1 3.93Å; T360-I364 HydrophobicContact CG2-CG1 4.48Å; T360-I364 WeakPolarHBondContact O-CG1 3.39Å; T360-I364 PolarHBondContact O-N 3.43Å; K361-I364 PolarHBondContact O-N 2.94Å; I364-Q366 PolarHBondContact O-N 2.83Å; I364-I367 PolarHBondContact O-N 3.04Å; I364-H368 PolarHBondContact O-CD2 2.78Å; I364-H368 PolarHBondContact O-N 3.28Å; I364-H368 VanDerWaalsContact O-N 3.12Å; I364-I395 HydrophobicContact CB-CD1 4.2Å; I364-I395 HydrophobicContact CB-CG2 4.35Å; I364-I395 HydrophobicContact CD1-CD1 4.27Å; I364-I395 HydrophobicContact CG2-CB 4Å; I364-I395 HydrophobicContact CG2-CD1 4.12Å; I364-I395 HydrophobicContact CG2-CG2 3.64Å |
| 365 | F | 88.5 | Confident | 86.9 | Confident | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.018 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.2 | -49.2 | 174.3 | -89.1 | -71.7 | 0 | 0 | 0 | 111.2 | K361 I367 H368 T369 I384 I395 I398 | K361-F365 VanDerWaalsContact O-CD2 3.29Å; K361-F365 WeakPolarHBondContact O-CD2 3.32Å; K361-F365 PolarHBondContact O-N 3.41Å; F365-I367 VanDerWaalsContact C-N 3.31Å; F365-I367 PolarHBondContact O-N 2.83Å; F365-H368 PolarHBondContact O-N 3.5Å; F365-T369 WeakPolarHBondContact O-CB 3.5Å; F365-T369 WeakPolarHBondContact O-CG2 3.03Å; F365-T369 PolarHBondContact O-N 2.89Å; F365-T369 PolarHBondContact O-OG1 3.32Å; F365-I384 HydrophobicContact CD2-CD1 4.32Å; F365-I384 HydrophobicContact CD2-CG1 3.86Å; F365-I384 HydrophobicContact CE2-CG1 4.13Å; F365-I395 HydrophobicContact CD1-CG2 3.71Å; F365-I395 HydrophobicContact CD2-CD1 4.31Å; F365-I395 HydrophobicContact CD2-CG1 4.4Å; F365-I395 HydrophobicContact CD2-CG2 3.75Å; F365-I395 HydrophobicContact CE1-CG2 3.71Å; F365-I395 HydrophobicContact CE2-CB 4.36Å; F365-I395 HydrophobicContact CE2-CD1 4.07Å; F365-I395 HydrophobicContact CE2-CG1 3.82Å; F365-I395 HydrophobicContact CE2-CG2 3.75Å; F365-I395 HydrophobicContact CG-CG2 3.72Å; F365-I395 HydrophobicContact CZ-CB 4.32Å; F365-I395 HydrophobicContact CZ-CG1 4.08Å; F365-I395 HydrophobicContact CZ-CG2 3.72Å; F365-I398 HydrophobicContact CE1-CG2 4.27Å; F365-I398 HydrophobicContact CZ-CD1 4.46Å |
| 366 | Q | 88.4 | Confident | 86.6 | Confident | 72 Ų | 72 | 74.4 Ų | 74.4 | 34% | 0.336 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -56.8 | -42.1 | 178.7 | -75.9 | 175.1 | -3.7 | 0 | 0 | 113.1 | K362 R363 I364 T369 S370 L380 | K362-Q366 VanDerWaalsContact O-CG 3.29Å; K362-Q366 WeakPolarHBondContact O-CG 2.93Å; K362-Q366 PolarHBondContact O-N 2.9Å; R363-Q366 WeakPolarHBondContact O-CB 3.33Å; R363-Q366 PolarHBondContact O-N 3.38Å; I364-Q366 PolarHBondContact O-N 2.83Å; Q366-T369 WeakPolarHBondContact CA-OG1 3.27Å; Q366-T369 PolarHBondContact O-OG1 3.12Å; Q366-S370 WeakPolarHBondContact O-CB 3.37Å; Q366-S370 PolarHBondContact O-N 2.9Å; Q366-L380 HydrophobicContact CG-CD1 4.18Å |
| 367 | I | 89.7 | Confident | 86.3 | Confident | 24 Ų | 24 | 77.2 Ų | 77.2 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.2 | -49.6 | 179.9 | -68.1 | 165 | 0 | 0 | 0 | 109.9 | R363 I364 F365 S370 | R363-I367 HydrophobicContact CG-CD1 4.28Å; R363-I367 WeakPolarHBondContact O-CG1 3.45Å; R363-I367 PolarHBondContact O-N 3.06Å; I364-I367 PolarHBondContact O-N 3.04Å; F365-I367 VanDerWaalsContact C-N 3.31Å; F365-I367 PolarHBondContact O-N 2.83Å; I367-S370 WeakPolarHBondContact O-CB 3.5Å; I367-S370 PolarHBondContact O-N 3.38Å; I367-S370 PolarHBondContact O-OG 2.82Å |
| 368 | H | 87.6 | Confident | 85.8 | Confident | 57 Ų | 57 | 72.7 Ų | 72.7 | 26% | 0.264 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.2 | -33.9 | -179.8 | -69.4 | -46 | 0 | 0 | 0 | 113.3 | I364 F365 S370 C399 | I364-H368 PolarHBondContact O-CD2 2.78Å; I364-H368 PolarHBondContact O-N 3.28Å; I364-H368 VanDerWaalsContact O-N 3.12Å; F365-H368 PolarHBondContact O-N 3.5Å; H368-S370 VanDerWaalsContact C-N 3.31Å; H368-S370 PolarHBondContact O-N 3.28Å; H368-C399 HydrophobicContact CB-CB 4.18Å |
| 369 | T | 86 | Confident | 85.5 | Confident | 10 Ų | 10 | 69.9 Ų | 69.9 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -76.7 | -18.6 | 178.2 | 63.4 | 0 | 0 | 0 | 0 | 112.9 | F365 Q366 R371 M372 L374 L380 F419 | F365-T369 WeakPolarHBondContact O-CB 3.5Å; F365-T369 WeakPolarHBondContact O-CG2 3.03Å; F365-T369 PolarHBondContact O-N 2.89Å; F365-T369 PolarHBondContact O-OG1 3.32Å; Q366-T369 WeakPolarHBondContact CA-OG1 3.27Å; Q366-T369 PolarHBondContact O-OG1 3.12Å; T369-R371 PolarHBondContact O-N 3.45Å; T369-M372 PolarHBondContact O-N 2.9Å; T369-L374 HydrophobicContact CG2-CD2 4.45Å; T369-L380 HydrophobicContact CG2-CD2 3.92Å; T369-F419 HydrophobicContact CG2-CZ 4.23Å |
| 370 | S | 85.6 | Confident | 85.1 | Confident | 91 Ų | 91 | 62.3 Ų | 62.3 | 64% | 0.636 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -28.8 | 180 | 70.5 | 0 | 0 | 0 | 0 | 113.6 | Q366 I367 H368 | Q366-S370 WeakPolarHBondContact O-CB 3.37Å; Q366-S370 PolarHBondContact O-N 2.9Å; I367-S370 WeakPolarHBondContact O-CB 3.5Å; I367-S370 PolarHBondContact O-N 3.38Å; I367-S370 PolarHBondContact O-OG 2.82Å; H368-S370 VanDerWaalsContact C-N 3.31Å; H368-S370 PolarHBondContact O-N 3.28Å |
| 371 | R | 85.6 | Confident | 84.7 | Confident | 214 Ų | 214 | 64.9 Ų | 64.9 | 81% | 0.808 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -8.3 | 177.4 | -59.9 | -174.2 | -174.2 | -176.5 | 4.1 | 112.9 | T369 | T369-R371 PolarHBondContact O-N 3.45Š|
| 372 | M | 86.1 | Confident | 84.1 | Confident | 55 Ų | 55 | 68.7 Ų | 68.7 | 27% | 0.271 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -100.4 | 145 | -176.4 | -65.2 | 179.7 | 175.1 | 0 | 0 | 111.3 | T369 L374 C399 | T369-M372 PolarHBondContact O-N 2.9Å; M372-L374 HydrophobicContact CB-CD2 4.45Å; M372-L374 PolarHBondContact O-N 2.87Å; M372-C399 HydrophobicContact CE-CB 3.85Å; M372-C399 WeakPolarHBondContact CE-O 3.49Å; M372-C399 HydrophobicContact SD-CB 4.12Å |
| 373 | T | 87.5 | Confident | 83.5 | Confident | 90 Ų | 90 | 65.8 Ų | 65.8 | 55% | 0.552 | 34% | 0.335 | S | S | * | . | trans | -82.8 | 95.8 | 171.3 | 40.2 | 0 | 0 | 0 | 0 | 109.5 | M412 K413 V414 | T373-M412 WeakPolarHBondContact CB-O 3.49Å; T373-M412 PolarHBondContact OG1-O 3.38Å; T373-K413 VanDerWaalsContact O-CA 3.3Å; T373-K413 WeakPolarHBondContact O-CA 3.34Å; T373-V414 PolarHBondContact O-N 3.23Å | ||
| 374 | L | 86 | Confident | 82.9 | Confident | 55 Ų | 55 | 60 Ų | 60 | 29% | 0.288 | 31% | 0.314 | S | S | . | . | B | Isolated β-bridge | trans | -78.5 | 147.8 | 175.2 | -56.6 | 177.7 | 0 | 0 | 0 | 110.8 | T369 M372 V378 V414 F419 | T369-L374 HydrophobicContact CG2-CD2 4.45Å; M372-L374 HydrophobicContact CB-CD2 4.45Å; M372-L374 PolarHBondContact O-N 2.87Å; L374-V378 HydrophobicContact CB-CG2 4.43Å; L374-V378 HydrophobicContact CD1-CG1 4.5Å; L374-V378 HydrophobicContact CD2-CG1 4.41Å; L374-V414 HydrophobicContact CD2-CB 4.49Å; L374-F419 HydrophobicContact CD2-CE2 3.78Å; L374-F419 HydrophobicContact CD2-CZ 3.92Å |
| 375 | A | 83.3 | Confident | 82 | Confident | 16 Ų | 16 | 65.8 Ų | 65.8 | 13% | 0.132 | 34% | 0.343 | C | S | . | . | trans | -82.2 | 158.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | D377 V378 K413 V414 T415 | A375-D377 WeakPolarHBondContact CB-OD1 3.49Å; A375-D377 PolarHBondContact O-N 2.95Å; A375-D377 VanDerWaalsContact O-N 3.13Å; A375-V378 WeakPolarHBondContact O-CG2 3.33Å; A375-V378 PolarHBondContact O-N 3.21Å; A375-K413 HydrophobicContact CB-CB 4.15Å; A375-K413 HydrophobicContact CB-CD 4.35Å; A375-V414 PolarHBondContact N-O 2.95Å; A375-T415 HydrophobicContact CB-CG2 4.35Å | ||
| 376 | D | 79.5 | Confident | 80.9 | Confident | 166 Ų | 166 | 67.4 Ų | 67.4 | 89% | 0.888 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -10 | -173.3 | -56.5 | -45.6 | 0 | 0 | 0 | 112.9 | V378 | D376-V378 VanDerWaalsContact C-N 3.33Š|
| 377 | D | 79.3 | Confident | 79.6 | Confident | 74 Ų | 74 | 73.5 Ų | 73.5 | 40% | 0.396 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -7.1 | 177.2 | 67.2 | -45.5 | 0 | 0 | 0 | 113.8 | A375 T379 N416 | A375-D377 WeakPolarHBondContact CB-OD1 3.49Å; A375-D377 PolarHBondContact O-N 2.95Å; A375-D377 VanDerWaalsContact O-N 3.13Å; D377-T379 PolarHBondContact O-N 2.91Å; D377-N416 PolarHBondContact O-ND2 2.85Å; D377-N416 PolarHBondContact OD2-N 3.49Å |
| 378 | V | 75.8 | Confident | 78.8 | Confident | 22 Ų | 22 | 74.3 Ų | 74.3 | 13% | 0.133 | 39% | 0.387 | C | S | . | . | trans | -84.6 | 104.8 | -174 | -177.2 | 0 | 0 | 0 | 0 | 111.2 | L374 A375 D376 L380 V414 F419 | L374-V378 HydrophobicContact CB-CG2 4.43Å; L374-V378 HydrophobicContact CD1-CG1 4.5Å; L374-V378 HydrophobicContact CD2-CG1 4.41Å; A375-V378 WeakPolarHBondContact O-CG2 3.33Å; A375-V378 PolarHBondContact O-N 3.21Å; D376-V378 VanDerWaalsContact C-N 3.33Å; V378-L380 HydrophobicContact CG1-CD2 4.12Å; V378-V414 WeakPolarHBondContact CG2-O 3.48Å; V378-F419 HydrophobicContact CG1-CD2 4.02Å; V378-F419 HydrophobicContact CG1-CE2 3.86Å; V378-F419 HydrophobicContact CG2-CD2 4.48Å; V378-F419 HydrophobicContact CG2-CE2 4.38Å | ||
| 379 | T | 79.1 | Confident | 78.3 | Confident | 66 Ų | 66 | 77.3 Ų | 77.3 | 41% | 0.405 | 41% | 0.405 | S | S | . | . | trans | -96.8 | 99.9 | 169.5 | 40.6 | 0 | 0 | 0 | 0 | 110.2 | D377 D381 D382 | D377-T379 PolarHBondContact O-N 2.91Å; T379-D381 PolarHBondContact O-N 3.15Å; T379-D382 WeakPolarHBondContact CB-OD2 3.28Å; T379-D382 PolarHBondContact O-N 3.27Å; T379-D382 PolarHBondContact OG1-OD2 3.39Å | ||
| 380 | L | 77.5 | Confident | 78.1 | Confident | 26 Ų | 26 | 77.1 Ų | 77.1 | 14% | 0.136 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.6 | -28.9 | 179.6 | -64.6 | 176.5 | 0 | 0 | 0 | 112.9 | Q366 T369 V378 D382 L383 I384 | Q366-L380 HydrophobicContact CG-CD1 4.18Å; T369-L380 HydrophobicContact CG2-CD2 3.92Å; V378-L380 HydrophobicContact CG1-CD2 4.12Å; L380-D382 VanDerWaalsContact C-N 3.32Å; L380-D382 PolarHBondContact O-N 2.96Å; L380-L383 HydrophobicContact CD2-CD1 4.45Å; L380-L383 PolarHBondContact O-N 2.86Å; L380-I384 WeakPolarHBondContact O-CD1 3.42Å; L380-I384 VanDerWaalsContact O-CG1 3.29Å; L380-I384 WeakPolarHBondContact O-CG1 3.05Å; L380-I384 PolarHBondContact O-N 3.1Å |
| 381 | D | 79.1 | Confident | 78.1 | Confident | 75 Ų | 75 | 73.3 Ų | 73.3 | 40% | 0.401 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.8 | -35.3 | -178 | -71.2 | -34.8 | 0 | 0 | 0 | 112.8 | K362 T379 L383 I384 M385 | K362-D381 WeakPolarHBondContact CD-OD1 2.98Å; K362-D381 WeakPolarHBondContact CE-OD1 3.42Å; K362-D381 VanDerWaalsContact NZ-CG 3.27Å; K362-D381 IonicContact NZ-OD1 3.75Å; K362-D381 PolarHBondContact NZ-OD1 2.95Å; K362-D381 IonicContact NZ-OD2 2.87Å; K362-D381 PolarHBondContact NZ-OD2 3.31Å; T379-D381 PolarHBondContact O-N 3.15Å; D381-L383 VanDerWaalsContact C-N 3.28Å; D381-L383 PolarHBondContact O-N 2.78Å; D381-I384 PolarHBondContact O-N 2.97Å; D381-M385 PolarHBondContact O-N 3.4Å; D381-M385 VanDerWaalsContact O-N 3.13Å |
| 382 | D | 75.1 | Confident | 78.2 | Confident | 98 Ų | 98 | 63.9 Ų | 63.9 | 52% | 0.524 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.3 | -30.2 | 179.4 | -63.4 | -25.1 | 0 | 0 | 0 | 112.1 | T379 L380 I384 | T379-D382 WeakPolarHBondContact CB-OD2 3.28Å; T379-D382 PolarHBondContact O-N 3.27Å; T379-D382 PolarHBondContact OG1-OD2 3.39Å; L380-D382 VanDerWaalsContact C-N 3.32Å; L380-D382 PolarHBondContact O-N 2.96Å; D382-I384 VanDerWaalsContact C-N 3.31Å |
| 383 | L | 75.2 | Confident | 78.2 | Confident | 11 Ų | 11 | 63.5 Ų | 63.5 | 6% | 0.058 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -72.8 | -28.4 | 177.5 | -62.2 | 171.1 | 0 | 0 | 0 | 111.9 | L380 D381 F419 | L380-L383 HydrophobicContact CD2-CD1 4.45Å; L380-L383 PolarHBondContact O-N 2.86Å; D381-L383 VanDerWaalsContact C-N 3.28Å; D381-L383 PolarHBondContact O-N 2.78Å; L383-F419 HydrophobicContact CD1-CB 3.66Å; L383-F419 HydrophobicContact CD1-CD1 3.88Å; L383-F419 HydrophobicContact CD1-CD2 4.38Å; L383-F419 HydrophobicContact CD1-CG 3.73Å; L383-F419 HydrophobicContact CD2-CB 3.85Å; L383-F419 HydrophobicContact CG-CB 4.42Å |
| 384 | I | 77 | Confident | 78.3 | Confident | 13 Ų | 13 | 60.6 Ų | 60.6 | 7% | 0.067 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -87.7 | -33.7 | -173.9 | -62.2 | 156.9 | 0 | 0 | 0 | 111.9 | E358 K361 K362 F365 L380 D381 D382 A386 | E358-I384 HydrophobicContact CB-CG2 4.2Å; K361-I384 HydrophobicContact CB-CG2 4.15Å; K362-I384 VanDerWaalsContact CA-CD1 3.43Å; K362-I384 HydrophobicContact CB-CD1 3.61Å; K362-I384 HydrophobicContact CD-CD1 4.47Å; K362-I384 HydrophobicContact CG-CD1 3.78Å; F365-I384 HydrophobicContact CD2-CD1 4.32Å; F365-I384 HydrophobicContact CD2-CG1 3.86Å; F365-I384 HydrophobicContact CE2-CG1 4.13Å; L380-I384 WeakPolarHBondContact O-CD1 3.42Å; L380-I384 VanDerWaalsContact O-CG1 3.29Å; L380-I384 WeakPolarHBondContact O-CG1 3.05Å; L380-I384 PolarHBondContact O-N 3.1Å; D381-I384 PolarHBondContact O-N 2.97Å; D382-I384 VanDerWaalsContact C-N 3.31Å; I384-A386 PolarHBondContact O-N 3.15Å |
| 385 | M | 70.4 | Confident | 78.5 | Confident | 143 Ų | 143 | 58 Ų | 58 | 70% | 0.704 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -66.3 | -19.5 | -176.3 | -83.5 | -168.2 | 156.1 | 0 | 0 | 114.9 | D381 K387 | D381-M385 PolarHBondContact O-N 3.4Å; D381-M385 VanDerWaalsContact O-N 3.13Å; M385-K387 PolarHBondContact O-N 3.21Å |
| 386 | A | 65.9 | Low | 78.7 | Confident | 37 Ų | 37 | 63 Ų | 63 | 31% | 0.306 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -68 | 127.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | I384 D388 | I384-A386 PolarHBondContact O-N 3.15Å; A386-D388 WeakPolarHBondContact CB-OD2 3.46Å; A386-D388 PolarHBondContact O-N 3.16Å |
| 387 | K | 61 | Low | 79.3 | Confident | 200 Ų | 200 | 56.8 Ų | 56.8 | 87% | 0.87 | 31% | 0.31 | S | S | * | . | trans | -69.6 | 40.7 | -174.4 | -64.7 | -175.8 | 175.2 | -174.1 | 0 | 114.1 | M385 | M385-K387 PolarHBondContact O-N 3.21Š| ||
| 388 | D | 72.3 | Confident | 79.8 | Confident | 42 Ų | 42 | 53.4 Ų | 53.4 | 23% | 0.225 | 29% | 0.292 | C | S | . | . | trans | -91.4 | 128.5 | -178.7 | -53 | -43.3 | 0 | 0 | 0 | 109.7 | K361 A386 L390 K423 | K361-D388 PolarHBondContact NZ-O 3.34Å; A386-D388 WeakPolarHBondContact CB-OD2 3.46Å; A386-D388 PolarHBondContact O-N 3.16Å; D388-L390 VanDerWaalsContact C-N 3.3Å; D388-L390 HydrophobicContact CB-CD1 4.38Å; D388-L390 HydrophobicContact CB-CG 4.09Å; D388-L390 PolarHBondContact O-N 2.87Å; D388-K423 WeakPolarHBondContact OD2-CE 3.29Å; D388-K423 IonicContact OD2-NZ 2.9Å; D388-K423 PolarHBondContact OD2-NZ 3.27Å | ||
| 389 | D | 77.2 | Confident | 80.5 | Confident | 119 Ų | 119 | 52.4 Ų | 52.4 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | trans | -71.3 | 83.1 | 174.2 | -70.3 | -31.7 | 0 | 0 | 0 | 110 | K430 | D389-K430 PolarHBondContact O-NZ 3.05Š| ||
| 390 | L | 82.2 | Confident | 81.1 | Confident | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | trans | -96.2 | 133.1 | 178.8 | -65.4 | 168.5 | 0 | 0 | 0 | 110.9 | P356 D388 D394 I395 I398 | P356-L390 WeakPolarHBondContact CD-O 2.82Å; P356-L390 WeakPolarHBondContact CG-O 3.32Å; D388-L390 VanDerWaalsContact C-N 3.3Å; D388-L390 HydrophobicContact CB-CD1 4.38Å; D388-L390 HydrophobicContact CB-CG 4.09Å; D388-L390 PolarHBondContact O-N 2.87Å; L390-D394 HydrophobicContact CB-CB 4.32Å; L390-D394 HydrophobicContact CD2-CB 3.93Å; L390-I395 HydrophobicContact CB-CG1 4.37Å; L390-I398 HydrophobicContact CD1-CD1 4.07Å; L390-I398 HydrophobicContact CD2-CD1 4.23Å | ||
| 391 | S | 85.3 | Confident | 81.7 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | trans | -81 | 165.4 | 169.8 | 70.2 | 0 | 0 | 0 | 0 | 111.4 | A393 D394 I395 | S391-A393 PolarHBondContact O-N 3.13Å; S391-D394 WeakPolarHBondContact CB-OD2 3.47Å; S391-D394 PolarHBondContact N-OD2 2.77Å; S391-D394 WeakPolarHBondContact O-CB 3.39Å; S391-D394 PolarHBondContact O-N 3.19Å; S391-D394 VanDerWaalsContact O-N 3.1Å; S391-D394 PolarHBondContact OG-N 3.41Å; S391-D394 VanDerWaalsContact OG-N 3.17Å; S391-D394 PolarHBondContact OG-OD1 3.03Å; S391-D394 PolarHBondContact OG-OD2 3.37Å; S391-I395 WeakPolarHBondContact O-CG1 3.25Å; S391-I395 PolarHBondContact O-N 2.77Å; S391-I395 VanDerWaalsContact O-N 3.07Å | ||
| 392 | G | 86.6 | Confident | 82.2 | Confident | 16 Ų | 16 | 50.9 Ų | 50.9 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.7 | -34.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G229 I395 K396 | G229-G392 WeakPolarHBondContact O-CA 3.5Å; G229-G392 PolarHBondContact O-N 3.33Å; G392-I395 PolarHBondContact O-N 2.89Å; G392-K396 PolarHBondContact O-N 3.01Å; G392-K396 VanDerWaalsContact O-N 3.08Å |
| 393 | A | 87.9 | Confident | 83 | Confident | 48 Ų | 48 | 47.4 Ų | 47.4 | 40% | 0.397 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G229 S391 K396 A397 | G229-A393 PolarHBondContact O-N 2.78Å; S391-A393 PolarHBondContact O-N 3.13Å; A393-K396 PolarHBondContact O-N 2.89Å; A393-A397 WeakPolarHBondContact O-CB 3.46Å; A393-A397 PolarHBondContact O-N 3.43Å |
| 394 | D | 89.2 | Confident | 83.7 | Confident | 29 Ų | 29 | 50.9 Ų | 50.9 | 16% | 0.155 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 176.6 | -60.2 | -37 | 0 | 0 | 0 | 110.7 | L390 S391 K396 A397 I398 V426 K430 | L390-D394 HydrophobicContact CB-CB 4.32Å; L390-D394 HydrophobicContact CD2-CB 3.93Å; S391-D394 WeakPolarHBondContact CB-OD2 3.47Å; S391-D394 PolarHBondContact N-OD2 2.77Å; S391-D394 WeakPolarHBondContact O-CB 3.39Å; S391-D394 PolarHBondContact O-N 3.19Å; S391-D394 VanDerWaalsContact O-N 3.1Å; S391-D394 PolarHBondContact OG-N 3.41Å; S391-D394 VanDerWaalsContact OG-N 3.17Å; S391-D394 PolarHBondContact OG-OD1 3.03Å; S391-D394 PolarHBondContact OG-OD2 3.37Å; D394-K396 PolarHBondContact O-N 2.9Å; D394-A397 WeakPolarHBondContact O-CB 3.43Å; D394-A397 PolarHBondContact O-N 2.74Å; D394-A397 VanDerWaalsContact O-N 3.17Å; D394-I398 VanDerWaalsContact O-CG1 3.3Å; D394-I398 WeakPolarHBondContact O-CG1 3.35Å; D394-I398 PolarHBondContact O-N 2.8Å; D394-V426 HydrophobicContact CB-CG1 4.17Å; D394-K430 IonicContact OD2-NZ 3.74Å; D394-K430 PolarHBondContact OD2-NZ 2.9Å |
| 395 | I | 88.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 177.1 | -65.3 | 170.4 | 0 | 0 | 0 | 111 | K361 I364 F365 L390 S391 G392 A397 I398 C399 | K361-I395 HydrophobicContact CB-CD1 3.98Å; K361-I395 HydrophobicContact CG-CD1 3.92Å; I364-I395 HydrophobicContact CB-CD1 4.2Å; I364-I395 HydrophobicContact CB-CG2 4.35Å; I364-I395 HydrophobicContact CD1-CD1 4.27Å; I364-I395 HydrophobicContact CG2-CB 4Å; I364-I395 HydrophobicContact CG2-CD1 4.12Å; I364-I395 HydrophobicContact CG2-CG2 3.64Å; F365-I395 HydrophobicContact CD1-CG2 3.71Å; F365-I395 HydrophobicContact CD2-CD1 4.31Å; F365-I395 HydrophobicContact CD2-CG1 4.4Å; F365-I395 HydrophobicContact CD2-CG2 3.75Å; F365-I395 HydrophobicContact CE1-CG2 3.71Å; F365-I395 HydrophobicContact CE2-CB 4.36Å; F365-I395 HydrophobicContact CE2-CD1 4.07Å; F365-I395 HydrophobicContact CE2-CG1 3.82Å; F365-I395 HydrophobicContact CE2-CG2 3.75Å; F365-I395 HydrophobicContact CG-CG2 3.72Å; F365-I395 HydrophobicContact CZ-CB 4.32Å; F365-I395 HydrophobicContact CZ-CG1 4.08Å; F365-I395 HydrophobicContact CZ-CG2 3.72Å; L390-I395 HydrophobicContact CB-CG1 4.37Å; S391-I395 WeakPolarHBondContact O-CG1 3.25Å; S391-I395 PolarHBondContact O-N 2.77Å; S391-I395 VanDerWaalsContact O-N 3.07Å; G392-I395 PolarHBondContact O-N 2.89Å; I395-A397 VanDerWaalsContact C-N 3.31Å; I395-A397 PolarHBondContact O-N 3.41Å; I395-I398 PolarHBondContact O-N 2.8Å; I395-C399 PolarHBondContact O-N 2.93Å; I395-C399 PolarHBondContact O-SG 3.17Å; I395-C399 VanDerWaalsContact O-SG 3.37Å |
| 396 | K | 89.4 | Confident | 85.3 | Confident | 120 Ų | 120 | 44.8 Ų | 44.8 | 52% | 0.522 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 175 | -175.9 | -179 | 176.5 | -179.2 | 0 | 111.6 | G392 A393 D394 C399 T400 | G392-K396 PolarHBondContact O-N 3.01Å; G392-K396 VanDerWaalsContact O-N 3.08Å; A393-K396 PolarHBondContact O-N 2.89Å; D394-K396 PolarHBondContact O-N 2.9Å; K396-C399 PolarHBondContact O-N 2.94Å; K396-T400 WeakPolarHBondContact O-CB 3.31Å; K396-T400 PolarHBondContact O-N 3.09Å; K396-T400 PolarHBondContact O-OG1 3.24Å |
| 397 | A | 91 | Very high | 86.5 | Confident | 37 Ų | 37 | 48.6 Ų | 48.6 | 31% | 0.306 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A393 D394 I395 C399 T400 E401 V426 | A393-A397 WeakPolarHBondContact O-CB 3.46Å; A393-A397 PolarHBondContact O-N 3.43Å; D394-A397 WeakPolarHBondContact O-CB 3.43Å; D394-A397 PolarHBondContact O-N 2.74Å; D394-A397 VanDerWaalsContact O-N 3.17Å; I395-A397 VanDerWaalsContact C-N 3.31Å; I395-A397 PolarHBondContact O-N 3.41Å; A397-C399 PolarHBondContact O-N 3.34Å; A397-T400 PolarHBondContact O-N 3.33Å; A397-E401 WeakPolarHBondContact O-CB 3.5Å; A397-E401 WeakPolarHBondContact O-CG 3.26Å; A397-E401 PolarHBondContact O-N 2.85Å; A397-V426 HydrophobicContact CB-CG2 4.18Å |
| 398 | I | 90.3 | Very high | 87.9 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.015 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.1 | -48.7 | 176 | -67.9 | 167 | 0 | 0 | 0 | 110.7 | F365 L390 D394 I395 T400 E401 A402 F419 K423 V426 | F365-I398 HydrophobicContact CE1-CG2 4.27Å; F365-I398 HydrophobicContact CZ-CD1 4.46Å; L390-I398 HydrophobicContact CD1-CD1 4.07Å; L390-I398 HydrophobicContact CD2-CD1 4.23Å; D394-I398 VanDerWaalsContact O-CG1 3.3Å; D394-I398 WeakPolarHBondContact O-CG1 3.35Å; D394-I398 PolarHBondContact O-N 2.8Å; I395-I398 PolarHBondContact O-N 2.8Å; I398-T400 VanDerWaalsContact C-N 3.33Å; I398-T400 PolarHBondContact O-N 2.83Å; I398-E401 PolarHBondContact O-N 2.72Å; I398-A402 WeakPolarHBondContact O-CB 3.26Å; I398-A402 PolarHBondContact O-N 2.69Å; I398-F419 HydrophobicContact CG2-CD1 4.14Å; I398-K423 HydrophobicContact CD1-CG 4.34Å; I398-V426 HydrophobicContact CG1-CB 3.9Å; I398-V426 HydrophobicContact CG1-CG1 4.07Å; I398-V426 HydrophobicContact CG1-CG2 3.8Å |
| 399 | C | 90 | Very high | 88.8 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 178.2 | -65.9 | 0 | 0 | 0 | 0 | 112 | H368 M372 I395 K396 A397 A402 G403 | H368-C399 HydrophobicContact CB-CB 4.18Å; M372-C399 HydrophobicContact CE-CB 3.85Å; M372-C399 WeakPolarHBondContact CE-O 3.49Å; M372-C399 HydrophobicContact SD-CB 4.12Å; I395-C399 PolarHBondContact O-N 2.93Å; I395-C399 PolarHBondContact O-SG 3.17Å; I395-C399 VanDerWaalsContact O-SG 3.37Å; K396-C399 PolarHBondContact O-N 2.94Å; A397-C399 PolarHBondContact O-N 3.34Å; C399-A402 PolarHBondContact O-N 3.09Å; C399-G403 PolarHBondContact O-N 2.83Å; C399-G403 VanDerWaalsContact O-N 3.09Å |
| 400 | T | 91.5 | Very high | 89.4 | Confident | 84 Ų | 84 | 56.6 Ų | 56.6 | 52% | 0.515 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68 | -43.7 | -178.4 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | K396 A397 I398 G403 L404 | K396-T400 WeakPolarHBondContact O-CB 3.31Å; K396-T400 PolarHBondContact O-N 3.09Å; K396-T400 PolarHBondContact O-OG1 3.24Å; A397-T400 PolarHBondContact O-N 3.33Å; I398-T400 VanDerWaalsContact C-N 3.33Å; I398-T400 PolarHBondContact O-N 2.83Å; T400-G403 PolarHBondContact O-N 3.05Å; T400-L404 PolarHBondContact O-N 3.3Å |
| 401 | E | 90.7 | Very high | 89.6 | Confident | 50 Ų | 50 | 59.4 Ų | 59.4 | 23% | 0.234 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 175.5 | -70.6 | -76.3 | -177.4 | 0 | 0 | 111.3 | A397 I398 G403 L404 M405 K429 | A397-E401 WeakPolarHBondContact O-CB 3.5Å; A397-E401 WeakPolarHBondContact O-CG 3.26Å; A397-E401 PolarHBondContact O-N 2.85Å; I398-E401 PolarHBondContact O-N 2.72Å; E401-G403 VanDerWaalsContact C-N 3.34Å; E401-G403 PolarHBondContact O-N 2.92Å; E401-L404 WeakPolarHBondContact O-CB 3.25Å; E401-L404 PolarHBondContact O-N 2.9Å; E401-L404 VanDerWaalsContact O-N 3.09Å; E401-M405 WeakPolarHBondContact O-CG 3.38Å; E401-M405 PolarHBondContact O-N 3.32Å; E401-K429 IonicContact OE1-NZ 3.64Å |
| 402 | A | 90.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I398 C399 L404 M405 A406 V414 D418 F419 S422 | I398-A402 WeakPolarHBondContact O-CB 3.26Å; I398-A402 PolarHBondContact O-N 2.69Å; C399-A402 PolarHBondContact O-N 3.09Å; A402-L404 VanDerWaalsContact C-N 3.32Å; A402-L404 PolarHBondContact O-N 3.2Å; A402-M405 PolarHBondContact O-N 2.8Å; A402-A406 PolarHBondContact O-N 3.47Å; A402-A406 VanDerWaalsContact O-N 3.08Å; A402-V414 HydrophobicContact CB-CG1 3.92Å; A402-D418 HydrophobicContact CB-CB 4.37Å; A402-F419 HydrophobicContact CB-CD1 3.84Å; A402-F419 HydrophobicContact CB-CE1 3.91Å; A402-F419 HydrophobicContact CB-CG 4.17Å; A402-F419 HydrophobicContact CB-CZ 4.29Å; A402-S422 WeakPolarHBondContact CA-OG 3.46Å; A402-S422 PolarHBondContact N-OG 3.4Å |
| 403 | G | 90.8 | Very high | 89.7 | Confident | 25 Ų | 25 | 71.2 Ų | 71.2 | 26% | 0.258 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C399 T400 E401 L407 | C399-G403 PolarHBondContact O-N 2.83Å; C399-G403 VanDerWaalsContact O-N 3.09Å; T400-G403 PolarHBondContact O-N 3.05Å; E401-G403 VanDerWaalsContact C-N 3.34Å; E401-G403 PolarHBondContact O-N 2.92Å; G403-L407 WeakPolarHBondContact O-CB 3.3Å; G403-L407 PolarHBondContact O-N 3.36Å |
| 404 | L | 91.1 | Very high | 89.8 | Confident | 84 Ų | 84 | 69.2 Ų | 69.2 | 44% | 0.44 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.3 | -38 | 177.6 | -172.7 | 64.3 | 0 | 0 | 0 | 112.3 | T400 E401 A402 L407 R408 | T400-L404 PolarHBondContact O-N 3.3Å; E401-L404 WeakPolarHBondContact O-CB 3.25Å; E401-L404 PolarHBondContact O-N 2.9Å; E401-L404 VanDerWaalsContact O-N 3.09Å; A402-L404 VanDerWaalsContact C-N 3.32Å; A402-L404 PolarHBondContact O-N 3.2Å; L404-L407 PolarHBondContact O-N 2.7Å; L404-R408 WeakPolarHBondContact O-CB 3.47Å; L404-R408 PolarHBondContact O-N 2.89Å |
| 405 | M | 89.8 | Confident | 89.7 | Confident | 25 Ų | 25 | 69.4 Ų | 69.4 | 12% | 0.123 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 174.8 | -70.1 | -167.8 | -166.8 | 0 | 0 | 111.6 | E401 A402 L407 R408 E409 D418 K421 S422 N425 | E401-M405 WeakPolarHBondContact O-CG 3.38Å; E401-M405 PolarHBondContact O-N 3.32Å; A402-M405 PolarHBondContact O-N 2.8Å; M405-L407 VanDerWaalsContact C-N 3.27Å; M405-L407 PolarHBondContact O-N 3.28Å; M405-R408 WeakPolarHBondContact O-CB 3.34Å; M405-R408 PolarHBondContact O-N 2.76Å; M405-R408 VanDerWaalsContact O-N 3.11Å; M405-E409 PolarHBondContact O-N 3.22Å; M405-E409 VanDerWaalsContact O-N 3.12Å; M405-D418 HydrophobicContact CB-CB 4.41Å; M405-K421 HydrophobicContact CE-CB 3.91Å; M405-K421 HydrophobicContact SD-CB 3.62Å; M405-K421 HydrophobicContact SD-CD 4.3Å; M405-S422 WeakPolarHBondContact CE-OG 3.28Å; M405-N425 WeakPolarHBondContact CE-ND2 3.31Å |
| 406 | A | 89.9 | Confident | 89.7 | Confident | 3 Ų | 3 | 70.4 Ų | 70.4 | 3% | 0.025 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.2 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A402 E409 R410 R411 V414 | A402-A406 PolarHBondContact O-N 3.47Å; A402-A406 VanDerWaalsContact O-N 3.08Å; A406-E409 PolarHBondContact O-N 2.83Å; A406-R410 PolarHBondContact O-N 3.17Å; A406-R411 PolarHBondContact O-N 3Å; A406-V414 HydrophobicContact CB-CB 4.5Å; A406-V414 HydrophobicContact CB-CG2 3.97Å |
| 407 | L | 91.1 | Very high | 89.6 | Confident | 118 Ų | 118 | 70.8 Ų | 70.8 | 62% | 0.618 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.2 | -39.1 | 175.9 | -173 | 64.7 | 0 | 0 | 0 | 112.5 | G403 L404 M405 E409 R410 | G403-L407 WeakPolarHBondContact O-CB 3.3Å; G403-L407 PolarHBondContact O-N 3.36Å; L404-L407 PolarHBondContact O-N 2.7Å; M405-L407 VanDerWaalsContact C-N 3.27Å; M405-L407 PolarHBondContact O-N 3.28Å; L407-E409 VanDerWaalsContact C-N 3.25Å; L407-E409 PolarHBondContact O-N 3.47Å; L407-R410 WeakPolarHBondContact O-CA 3.45Å; L407-R410 PolarHBondContact O-N 3.02Å |
| 408 | R | 91.1 | Very high | 89.5 | Confident | 196 Ų | 196 | 69 Ų | 69 | 74% | 0.74 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.2 | -35.7 | 177 | -171.6 | 179.3 | -69.5 | 172.2 | 0.1 | 111.9 | L404 M405 R410 | L404-R408 WeakPolarHBondContact O-CB 3.47Å; L404-R408 PolarHBondContact O-N 2.89Å; M405-R408 WeakPolarHBondContact O-CB 3.34Å; M405-R408 PolarHBondContact O-N 2.76Å; M405-R408 VanDerWaalsContact O-N 3.11Å; R408-R410 VanDerWaalsContact C-N 3.26Å; R408-R410 PolarHBondContact O-N 2.97Å |
| 409 | E | 90.8 | Very high | 89.3 | Confident | 103 Ų | 103 | 68.9 Ų | 68.9 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 6.2 | 175.1 | -65.5 | -172.4 | -164.2 | 0 | 0 | 113.6 | M405 A406 L407 R411 | M405-E409 PolarHBondContact O-N 3.22Å; M405-E409 VanDerWaalsContact O-N 3.12Å; A406-E409 PolarHBondContact O-N 2.83Å; L407-E409 VanDerWaalsContact C-N 3.25Å; L407-E409 PolarHBondContact O-N 3.47Å; E409-R411 HydrophobicContact CB-CG 4.35Å; E409-R411 PolarHBondContact O-N 2.9Å; E409-R411 IonicContact OE1-NH1 2.72Å; E409-R411 IonicContact OE2-CZ 3.1Å; E409-R411 IonicContact OE2-NE 3.82Å; E409-R411 PolarHBondContact OE2-NE 2.83Å; E409-R411 IonicContact OE2-NH1 3.96Å; E409-R411 PolarHBondContact OE2-NH1 3.45Å |
| 410 | R | 88.9 | Confident | 89.2 | Confident | 230 Ų | 230 | 74.5 Ų | 74.5 | 87% | 0.868 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 28 | -178 | -55.1 | -178.2 | 177.8 | -172.2 | -0.9 | 113.5 | A406 L407 R408 | A406-R410 PolarHBondContact O-N 3.17Å; L407-R410 WeakPolarHBondContact O-CA 3.45Å; L407-R410 PolarHBondContact O-N 3.02Å; R408-R410 VanDerWaalsContact C-N 3.26Å; R408-R410 PolarHBondContact O-N 2.97Å |
| 411 | R | 86.8 | Confident | 89 | Confident | 66 Ų | 66 | 74.9 Ų | 74.9 | 25% | 0.249 | 34% | 0.342 | C | S | . | . | trans | -92.6 | 137.8 | 174.7 | -67.4 | -177.3 | -78.2 | 108.3 | -168.8 | 109.4 | A406 E409 K413 T415 D418 | A406-R411 PolarHBondContact O-N 3Å; E409-R411 HydrophobicContact CB-CG 4.35Å; E409-R411 PolarHBondContact O-N 2.9Å; E409-R411 IonicContact OE1-NH1 2.72Å; E409-R411 IonicContact OE2-CZ 3.1Å; E409-R411 IonicContact OE2-NE 3.82Å; E409-R411 PolarHBondContact OE2-NE 2.83Å; E409-R411 IonicContact OE2-NH1 3.96Å; E409-R411 PolarHBondContact OE2-NH1 3.45Å; R411-K413 VanDerWaalsContact C-N 3.31Å; R411-T415 PolarHBondContact NH2-OG1 3.35Å; R411-D418 IonicContact CZ-OD1 3.67Å; R411-D418 IonicContact CZ-OD2 3.04Å; R411-D418 IonicContact NH1-OD1 3.81Å; R411-D418 PolarHBondContact NH1-OD1 3.39Å; R411-D418 IonicContact NH1-OD2 2.65Å; R411-D418 PolarHBondContact NH1-OD2 3.15Å; R411-D418 IonicContact NH2-OD1 3.82Å; R411-D418 IonicContact NH2-OD2 2.81Å; R411-D418 PolarHBondContact NH2-OD2 3.29Å | ||
| 412 | M | 86.3 | Confident | 88.8 | Confident | 159 Ų | 159 | 72.5 Ų | 72.5 | 78% | 0.783 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -91.3 | 6 | 175 | -63.9 | -62 | -67.7 | 0 | 0 | 112.6 | T373 | T373-M412 WeakPolarHBondContact CB-O 3.49Å; T373-M412 PolarHBondContact OG1-O 3.38Å |
| 413 | K | 88.7 | Confident | 88.6 | Confident | 115 Ų | 115 | 74 Ų | 74 | 50% | 0.5 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -131.5 | 136.4 | 176.6 | -63.3 | -172.7 | 177.5 | -170 | 0 | 109.4 | T373 A375 R411 | T373-K413 VanDerWaalsContact O-CA 3.3Å; T373-K413 WeakPolarHBondContact O-CA 3.34Å; A375-K413 HydrophobicContact CB-CB 4.15Å; A375-K413 HydrophobicContact CB-CD 4.35Å; R411-K413 VanDerWaalsContact C-N 3.31Å |
| 414 | V | 89.2 | Confident | 88.3 | Confident | 6 Ų | 6 | 79.2 Ų | 79.2 | 4% | 0.036 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -86.2 | 127 | 175.6 | -173.7 | 0 | 0 | 0 | 0 | 108.9 | T373 L374 A375 V378 A402 A406 D418 F419 | T373-V414 PolarHBondContact O-N 3.23Å; L374-V414 HydrophobicContact CD2-CB 4.49Å; A375-V414 PolarHBondContact N-O 2.95Å; V378-V414 WeakPolarHBondContact CG2-O 3.48Å; A402-V414 HydrophobicContact CB-CG1 3.92Å; A406-V414 HydrophobicContact CB-CB 4.5Å; A406-V414 HydrophobicContact CB-CG2 3.97Å; V414-D418 HydrophobicContact CG1-CB 3.87Å; V414-F419 HydrophobicContact CB-CE2 4.3Å; V414-F419 HydrophobicContact CG1-CD2 3.89Å; V414-F419 HydrophobicContact CG1-CE2 3.48Å; V414-F419 VanDerWaalsContact CG1-CE2 3.48Å; V414-F419 HydrophobicContact CG1-CZ 4.08Å |
| 415 | T | 88.6 | Confident | 88 | Confident | 32 Ų | 32 | 79 Ų | 79 | 20% | 0.196 | 35% | 0.354 | C | S | . | . | trans | -97.5 | 167.7 | 178.6 | 59 | 0 | 0 | 0 | 0 | 111.3 | A375 R411 E417 D418 | A375-T415 HydrophobicContact CB-CG2 4.35Å; R411-T415 PolarHBondContact NH2-OG1 3.35Å; T415-E417 PolarHBondContact O-N 3.4Å; T415-D418 PolarHBondContact N-OD2 2.75Å; T415-D418 WeakPolarHBondContact O-CB 3.36Å; T415-D418 PolarHBondContact O-N 3.5Å; T415-D418 PolarHBondContact OG1-OD2 2.98Å; T415-D418 VanDerWaalsContact OG1-OD2 3.1Å | ||
| 416 | N | 87.3 | Confident | 87.7 | Confident | 22 Ų | 22 | 78.2 Ų | 78.2 | 12% | 0.118 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.3 | -31.6 | 178.5 | -163.5 | -13.2 | 0 | 0 | 0 | 112.2 | D377 D418 F419 K420 | D377-N416 PolarHBondContact O-ND2 2.85Å; D377-N416 PolarHBondContact OD2-N 3.49Å; N416-D418 VanDerWaalsContact C-N 3.32Å; N416-D418 PolarHBondContact O-N 2.86Å; N416-F419 PolarHBondContact O-N 3.43Å; N416-K420 PolarHBondContact O-N 2.75Å; N416-K420 VanDerWaalsContact O-N 3.09Å |
| 417 | E | 86.6 | Confident | 87.3 | Confident | 128 Ų | 128 | 80.2 Ų | 80.2 | 60% | 0.598 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.1 | -37.1 | 175 | -65.7 | -171 | 175.1 | 0 | 0 | 113 | T415 F419 K420 K421 | T415-E417 PolarHBondContact O-N 3.4Å; E417-F419 VanDerWaalsContact C-N 3.32Å; E417-F419 PolarHBondContact O-N 2.84Å; E417-K420 PolarHBondContact O-N 3.37Å; E417-K421 WeakPolarHBondContact O-CG 3.23Å; E417-K421 PolarHBondContact O-N 3.43Å |
| 418 | D | 89 | Confident | 86.7 | Confident | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 178 | -61.2 | -37.9 | 0 | 0 | 0 | 110.4 | A402 M405 R411 V414 T415 N416 S422 | A402-D418 HydrophobicContact CB-CB 4.37Å; M405-D418 HydrophobicContact CB-CB 4.41Å; R411-D418 IonicContact CZ-OD1 3.67Å; R411-D418 IonicContact CZ-OD2 3.04Å; R411-D418 IonicContact NH1-OD1 3.81Å; R411-D418 PolarHBondContact NH1-OD1 3.39Å; R411-D418 IonicContact NH1-OD2 2.65Å; R411-D418 PolarHBondContact NH1-OD2 3.15Å; R411-D418 IonicContact NH2-OD1 3.82Å; R411-D418 IonicContact NH2-OD2 2.81Å; R411-D418 PolarHBondContact NH2-OD2 3.29Å; V414-D418 HydrophobicContact CG1-CB 3.87Å; T415-D418 PolarHBondContact N-OD2 2.75Å; T415-D418 WeakPolarHBondContact O-CB 3.36Å; T415-D418 PolarHBondContact O-N 3.5Å; T415-D418 PolarHBondContact OG1-OD2 2.98Å; T415-D418 VanDerWaalsContact OG1-OD2 3.1Å; N416-D418 VanDerWaalsContact C-N 3.32Å; N416-D418 PolarHBondContact O-N 2.86Å; D418-S422 WeakPolarHBondContact O-CB 3.32Å; D418-S422 PolarHBondContact O-N 2.96Å; D418-S422 PolarHBondContact O-OG 2.91Å |
| 419 | F | 87.9 | Confident | 86 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 175.7 | -79.9 | -74.7 | 0 | 0 | 0 | 112.7 | T369 L374 V378 L383 I398 A402 V414 N416 E417 S422 K423 | T369-F419 HydrophobicContact CG2-CZ 4.23Å; L374-F419 HydrophobicContact CD2-CE2 3.78Å; L374-F419 HydrophobicContact CD2-CZ 3.92Å; V378-F419 HydrophobicContact CG1-CD2 4.02Å; V378-F419 HydrophobicContact CG1-CE2 3.86Å; V378-F419 HydrophobicContact CG2-CD2 4.48Å; V378-F419 HydrophobicContact CG2-CE2 4.38Å; L383-F419 HydrophobicContact CD1-CB 3.66Å; L383-F419 HydrophobicContact CD1-CD1 3.88Å; L383-F419 HydrophobicContact CD1-CD2 4.38Å; L383-F419 HydrophobicContact CD1-CG 3.73Å; L383-F419 HydrophobicContact CD2-CB 3.85Å; L383-F419 HydrophobicContact CG-CB 4.42Å; I398-F419 HydrophobicContact CG2-CD1 4.14Å; A402-F419 HydrophobicContact CB-CD1 3.84Å; A402-F419 HydrophobicContact CB-CE1 3.91Å; A402-F419 HydrophobicContact CB-CG 4.17Å; A402-F419 HydrophobicContact CB-CZ 4.29Å; V414-F419 HydrophobicContact CB-CE2 4.3Å; V414-F419 HydrophobicContact CG1-CD2 3.89Å; V414-F419 HydrophobicContact CG1-CE2 3.48Å; V414-F419 VanDerWaalsContact CG1-CE2 3.48Å; V414-F419 HydrophobicContact CG1-CZ 4.08Å; N416-F419 PolarHBondContact O-N 3.43Å; E417-F419 VanDerWaalsContact C-N 3.32Å; E417-F419 PolarHBondContact O-N 2.84Å; F419-S422 PolarHBondContact O-N 3.09Å; F419-K423 VanDerWaalsContact O-CB 3.29Å; F419-K423 WeakPolarHBondContact O-CB 3.21Å; F419-K423 PolarHBondContact O-N 3.23Å |
| 420 | K | 86.7 | Confident | 85.1 | Confident | 118 Ų | 118 | 78.2 Ų | 78.2 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.4 | -50 | 177.7 | -71.7 | -179 | -179.4 | 179.9 | 0 | 111.8 | N416 E417 S422 K423 E424 | N416-K420 PolarHBondContact O-N 2.75Å; N416-K420 VanDerWaalsContact O-N 3.09Å; E417-K420 PolarHBondContact O-N 3.37Å; K420-S422 VanDerWaalsContact C-N 3.32Å; K420-S422 PolarHBondContact O-N 3.4Å; K420-K423 WeakPolarHBondContact O-CB 3.47Å; K420-K423 PolarHBondContact O-N 3.24Å; K420-E424 PolarHBondContact O-N 3.17Å; K420-E424 VanDerWaalsContact O-N 3.12Å |
| 421 | K | 86.9 | Confident | 83.8 | Confident | 92 Ų | 92 | 71.6 Ų | 71.6 | 40% | 0.4 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61 | -41 | 176.3 | -70.2 | 175.3 | -176.2 | 166.4 | 0 | 111.9 | M405 E417 K423 E424 N425 | M405-K421 HydrophobicContact CE-CB 3.91Å; M405-K421 HydrophobicContact SD-CB 3.62Å; M405-K421 HydrophobicContact SD-CD 4.3Å; E417-K421 WeakPolarHBondContact O-CG 3.23Å; E417-K421 PolarHBondContact O-N 3.43Å; K421-K423 VanDerWaalsContact C-N 3.34Å; K421-E424 PolarHBondContact O-N 3.44Å; K421-N425 PolarHBondContact O-N 3.12Å; K421-N425 VanDerWaalsContact O-N 3.15Å |
| 422 | S | 87.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 179 | -61 | 0 | 0 | 0 | 0 | 112.1 | A402 M405 D418 F419 K420 N425 V426 | A402-S422 WeakPolarHBondContact CA-OG 3.46Å; A402-S422 PolarHBondContact N-OG 3.4Å; M405-S422 WeakPolarHBondContact CE-OG 3.28Å; D418-S422 WeakPolarHBondContact O-CB 3.32Å; D418-S422 PolarHBondContact O-N 2.96Å; D418-S422 PolarHBondContact O-OG 2.91Å; F419-S422 PolarHBondContact O-N 3.09Å; K420-S422 VanDerWaalsContact C-N 3.32Å; K420-S422 PolarHBondContact O-N 3.4Å; S422-N425 PolarHBondContact O-N 3.36Å; S422-V426 WeakPolarHBondContact O-CG2 3.27Å; S422-V426 PolarHBondContact O-N 2.93Å |
| 423 | K | 85.1 | Confident | 81 | Confident | 33 Ų | 33 | 72 Ų | 72 | 14% | 0.143 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62 | -46.6 | 175.6 | -177.6 | -178.1 | 173.5 | -178.7 | 0 | 111.9 | D388 I398 F419 K420 K421 N425 V426 L427 | D388-K423 WeakPolarHBondContact OD2-CE 3.29Å; D388-K423 IonicContact OD2-NZ 2.9Å; D388-K423 PolarHBondContact OD2-NZ 3.27Å; I398-K423 HydrophobicContact CD1-CG 4.34Å; F419-K423 VanDerWaalsContact O-CB 3.29Å; F419-K423 WeakPolarHBondContact O-CB 3.21Å; F419-K423 PolarHBondContact O-N 3.23Å; K420-K423 WeakPolarHBondContact O-CB 3.47Å; K420-K423 PolarHBondContact O-N 3.24Å; K421-K423 VanDerWaalsContact C-N 3.34Å; K423-N425 VanDerWaalsContact C-N 3.32Å; K423-N425 PolarHBondContact O-N 3.3Å; K423-V426 PolarHBondContact O-N 2.97Å; K423-L427 WeakPolarHBondContact O-CB 3.43Å; K423-L427 PolarHBondContact O-N 2.69Å |
| 424 | E | 84.8 | Confident | 79.4 | Confident | 134 Ų | 134 | 71 Ų | 71 | 63% | 0.626 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58.4 | -44.2 | 176.6 | -71.7 | 173.9 | -179.6 | 0 | 0 | 111.6 | K420 K421 V426 L427 Y428 | K420-E424 PolarHBondContact O-N 3.17Å; K420-E424 VanDerWaalsContact O-N 3.12Å; K421-E424 PolarHBondContact O-N 3.44Å; E424-V426 PolarHBondContact O-N 3.15Å; E424-L427 PolarHBondContact O-N 3.49Å; E424-Y428 WeakPolarHBondContact O-CB 3.43Å; E424-Y428 PolarHBondContact O-N 2.77Å |
| 425 | N | 85.1 | Confident | 77.6 | Confident | 78 Ų | 78 | 76 Ų | 76 | 42% | 0.417 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 178.1 | -72.4 | -15.9 | 0 | 0 | 0 | 113.2 | M405 K421 S422 K423 K429 | M405-N425 WeakPolarHBondContact CE-ND2 3.31Å; K421-N425 PolarHBondContact O-N 3.12Å; K421-N425 VanDerWaalsContact O-N 3.15Å; S422-N425 PolarHBondContact O-N 3.36Å; K423-N425 VanDerWaalsContact C-N 3.32Å; K423-N425 PolarHBondContact O-N 3.3Å; N425-K429 WeakPolarHBondContact O-CG 2.91Å; N425-K429 PolarHBondContact O-N 3.16Å |
| 426 | V | 83.8 | Confident | 76.2 | Confident | 9 Ų | 9 | 81.5 Ų | 81.5 | 6% | 0.055 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -71.8 | -39.5 | 178.5 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | D394 A397 I398 S422 K423 E424 K429 K430 | D394-V426 HydrophobicContact CB-CG1 4.17Å; A397-V426 HydrophobicContact CB-CG2 4.18Å; I398-V426 HydrophobicContact CG1-CB 3.9Å; I398-V426 HydrophobicContact CG1-CG1 4.07Å; I398-V426 HydrophobicContact CG1-CG2 3.8Å; S422-V426 WeakPolarHBondContact O-CG2 3.27Å; S422-V426 PolarHBondContact O-N 2.93Å; K423-V426 PolarHBondContact O-N 2.97Å; E424-V426 PolarHBondContact O-N 3.15Å; V426-K429 PolarHBondContact O-N 3.37Å; V426-K430 PolarHBondContact O-N 3.49Å |
| 427 | L | 81.1 | Confident | 74.5 | Confident | 46 Ų | 46 | 83.6 Ų | 83.6 | 24% | 0.241 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 176.9 | -168.8 | 67.5 | 0 | 0 | 0 | 111.5 | K423 E424 K429 K430 Q431 | K423-L427 WeakPolarHBondContact O-CB 3.43Å; K423-L427 PolarHBondContact O-N 2.69Å; E424-L427 PolarHBondContact O-N 3.49Å; L427-K429 VanDerWaalsContact C-N 3.33Å; L427-K429 PolarHBondContact O-N 3.31Å; L427-K430 PolarHBondContact O-N 3.4Å; L427-Q431 PolarHBondContact O-N 3.26Å |
| 428 | Y | 78.3 | Confident | 73.2 | Confident | 162 Ų | 162 | 84.5 Ų | 84.5 | 64% | 0.635 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -58.5 | -43.3 | 175.6 | -173.1 | -98.9 | 0 | 0 | 0 | 112.1 | E424 K430 Q431 | E424-Y428 WeakPolarHBondContact O-CB 3.43Å; E424-Y428 PolarHBondContact O-N 2.77Å; Y428-K430 PolarHBondContact O-N 2.98Å; Y428-Q431 PolarHBondContact O-N 3.26Å |
| 429 | K | 76.9 | Confident | 71.6 | Confident | 137 Ų | 137 | 95.4 Ų | 95.4 | 60% | 0.596 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.3 | -27.8 | 175.9 | -72.4 | 177.3 | -178.1 | 174.6 | 0 | 113.2 | E401 N425 V426 L427 | E401-K429 IonicContact OE1-NZ 3.64Å; N425-K429 WeakPolarHBondContact O-CG 2.91Å; N425-K429 PolarHBondContact O-N 3.16Å; V426-K429 PolarHBondContact O-N 3.37Å; L427-K429 VanDerWaalsContact C-N 3.33Å; L427-K429 PolarHBondContact O-N 3.31Å |
| 430 | K | 71.4 | Confident | 69.6 | Low | 75 Ų | 75 | 106.3 Ų | 106.3 | 33% | 0.326 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -83.7 | -36.6 | -178.6 | -169 | 170.6 | -173.7 | 163 | 0 | 112.6 | D389 D394 V426 L427 Y428 E432 G433 | D389-K430 PolarHBondContact O-NZ 3.05Å; D394-K430 IonicContact OD2-NZ 3.74Å; D394-K430 PolarHBondContact OD2-NZ 2.9Å; V426-K430 PolarHBondContact O-N 3.49Å; L427-K430 PolarHBondContact O-N 3.4Å; Y428-K430 PolarHBondContact O-N 2.98Å; K430-E432 PolarHBondContact O-N 2.9Å; K430-G433 PolarHBondContact O-N 2.87Å |
| 431 | Q | 62.7 | Low | 68.8 | Low | 92 Ų | 92 | 105.7 Ų | 105.7 | 43% | 0.43 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.9 | -15.8 | -176.3 | -77.1 | -179 | -14.3 | 0 | 0 | 114.2 | L427 Y428 G433 | L427-Q431 PolarHBondContact O-N 3.26Å; Y428-Q431 PolarHBondContact O-N 3.26Å; Q431-G433 PolarHBondContact O-N 2.79Å |
| 432 | E | 58.3 | Low | 67.8 | Low | 167 Ų | 167 | 106.4 Ų | 106.4 | 78% | 0.78 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -15 | 171.4 | -72.2 | -168.3 | 156.7 | 0 | 0 | 113.4 | K430 | K430-E432 PolarHBondContact O-N 2.9Š|
| 433 | G | 55.2 | Low | 66.7 | Low | 67 Ų | 67 | 112.3 Ų | 112.3 | 69% | 0.691 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | -7.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 118 | K430 Q431 | K430-G433 PolarHBondContact O-N 2.87Å; Q431-G433 PolarHBondContact O-N 2.79Å |
| 434 | T | 55.3 | Low | 65.6 | Low | 92 Ų | 92 | 117 Ų | 117 | 56% | 0.564 | 61% | 0.607 | S | S | * | * | trans | -138.4 | 120.5 | -172 | 22.6 | 0 | 0 | 0 | 0 | 113.2 | E436 | T434-E436 PolarHBondContact O-N 3.06Š| ||
| 435 | P | 51 | Low | 64.4 | Low | 113 Ų | 113 | 115.9 Ų | 115.9 | 73% | 0.734 | 61% | 0.606 | S | S | * | * | trans | -72.8 | 111.8 | 164.1 | 28 | -28.8 | 0 | 0 | 0 | 109.2 | G437 | P435-G437 PolarHBondContact O-N 2.7Š| ||
| 436 | E | 58.7 | Low | 63.1 | Low | 147 Ų | 147 | 118.5 Ų | 118.5 | 69% | 0.687 | 62% | 0.618 | S | S | * | * | trans | -65.8 | 10 | 173.3 | -71.6 | -177.7 | 167.5 | 0 | 0 | 113.7 | T434 | T434-E436 PolarHBondContact O-N 3.06Š| ||
| 437 | G | 53.1 | Low | 61.6 | Low | 65 Ų | 65 | 126.3 Ų | 126.3 | 67% | 0.67 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | 11.8 | -164.3 | 0 | 0 | 0 | 0 | 0 | 118 | P435 | P435-G437 PolarHBondContact O-N 2.7Š|
| 438 | L | 57.7 | Low | 60.1 | Low | 147 Ų | 147 | 132.5 Ų | 132.5 | 77% | 0.77 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | -10 | 179.7 | -99.9 | 98.3 | 0 | 0 | 0 | 115.8 | ||
| 439 | Y | 55.8 | Low | 58.5 | Low | 230 Ų | 230 | 130 Ų | 130 | 90% | 0.902 | 70% | 0.695 | S | S | * | * | trans | -123.5 | 38.7 | -175.6 | -71.5 | -79.3 | 0 | 0 | 0 | 113.3 | ||||
| 440 | L | 46.6 | Very low | 56.9 | Low | 228 Ų | 228 | 129.4 Ų | 129.4 | 100% | 1.194 | 70% | 0.704 | S | S | * | * | trans | -124.7 | 0 | 170.5 | -93.1 | 153 | 0 | 0 | 0 | 111.1 |
Retrieved 440 of 440 residues in 757.2 ms
(Link to these results)