| 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 | 38 | Very low | 40.6 | Very low | 242 Ų | 242 | 166 Ų | 166 | 100% | 1.192 | 86% | 0.862 | S | S | * | * | 0 | 157.1 | 0 | -81.2 | 177.8 | 160 | 0 | 0 | 109.3 | |||||
| 2 | S | 39.8 | Very low | 39.8 | Very low | 124 Ų | 124 | 158.3 Ų | 158.3 | 87% | 0.867 | 85% | 0.852 | S | S | * | * | trans | 67.7 | 101.6 | 166.1 | -59 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 3 | S | 47.2 | Very low | 39.7 | Very low | 119 Ų | 119 | 160.2 Ų | 160.2 | 83% | 0.832 | 85% | 0.853 | S | S | * | * | trans | -82.4 | 143.9 | 151.9 | -35.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 4 | R | 46.4 | Very low | 39.4 | Very low | 226 Ų | 226 | 163.1 Ų | 163.1 | 85% | 0.853 | 86% | 0.859 | S | S | * | * | 178.8 | 143.5 | 129.1 | -107.9 | -176 | 170.2 | 170 | 0.4 | 116.7 | |||||
| 5 | K | 43.4 | Very low | 39.3 | Very low | 153 Ų | 153 | 160.5 Ų | 160.5 | 67% | 0.665 | 86% | 0.86 | S | S | * | * | trans | 72.3 | 113.9 | 142.9 | -78.8 | -171.9 | 167.3 | -167.3 | 0 | 122.1 | ||||
| 6 | Q | 42.8 | Very low | 39.2 | Very low | 169 Ų | 169 | 156.9 Ų | 156.9 | 79% | 0.79 | 86% | 0.859 | S | S | * | * | 44.3 | 130.6 | 109.8 | -66.3 | 177.9 | -26.8 | 0 | 0 | 117.5 | |||||
| 7 | A | 38.8 | Very low | 39.1 | Very low | 88 Ų | 88 | 159.2 Ų | 159.2 | 73% | 0.727 | 86% | 0.862 | S | S | * | * | cis | -176.6 | 171.6 | 38.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 8 | S | 37.1 | Very low | 38.9 | Very low | 112 Ų | 112 | 161.1 Ų | 161.1 | 78% | 0.783 | 86% | 0.864 | S | S | * | * | trans | 102.4 | 144.9 | 138.2 | 82 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 9 | Q | 38.1 | Very low | 38.7 | Very low | 187 Ų | 187 | 160.3 Ų | 160.3 | 87% | 0.874 | 86% | 0.86 | S | S | * | * | trans | 68.4 | 92.7 | 164.9 | -67.8 | -173.9 | -14.1 | 0 | 0 | 120.5 | ||||
| 10 | T | 38.2 | Very low | 38.4 | Very low | 153 Ų | 153 | 159.1 Ų | 159.1 | 94% | 0.939 | 85% | 0.853 | S | S | * | * | trans | -99.7 | 124.7 | 142.4 | 40.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 11 | R | 36.4 | Very low | 38.1 | Very low | 253 Ų | 253 | 158.7 Ų | 158.7 | 96% | 0.955 | 84% | 0.844 | S | S | * | * | trans | -125.6 | 125.7 | 166.7 | -176.3 | 177.7 | 179.7 | 178.1 | -0.2 | 106.8 | ||||
| 12 | G | 31.5 | Very low | 38.2 | Very low | 73 Ų | 73 | 155.8 Ų | 155.8 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | -98 | -177.9 | -164 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 13 | Q | 38.5 | Very low | 38.2 | Very low | 184 Ų | 184 | 157.7 Ų | 157.7 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -144.4 | 107.8 | 157.5 | -79.6 | 169.3 | -6 | 0 | 0 | 103.5 | ||||
| 14 | Q | 35.8 | Very low | 37.7 | Very low | 200 Ų | 200 | 158.2 Ų | 158.2 | 94% | 0.935 | 82% | 0.818 | S | S | * | * | 53.4 | 88.1 | 78.8 | -75.6 | -172.2 | -36.1 | 0 | 0 | 113.4 | |||||
| 15 | S | 37.3 | Very low | 37.2 | Very low | 125 Ų | 125 | 154.1 Ų | 154.1 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -90.3 | 139 | 160.1 | -51.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 16 | A | 38.4 | Very low | 36.9 | Very low | 102 Ų | 102 | 159.1 Ų | 159.1 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | trans | -95.8 | 133.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 17 | E | 37.1 | Very low | 36.6 | Very low | 197 Ų | 197 | 156.4 Ų | 156.4 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | trans | -133.9 | 96.6 | 163.1 | -82 | -171 | 120.2 | 0 | 0 | 108.9 | ||||
| 18 | E | 35.3 | Very low | 36.3 | Very low | 192 Ų | 192 | 159.7 Ų | 159.7 | 90% | 0.897 | 84% | 0.839 | S | S | * | * | trans | -136.7 | 122 | 155.4 | -74.6 | -169.4 | 130.3 | 0 | 0 | 106.7 | ||||
| 19 | D | 34.5 | Very low | 36 | Very low | 146 Ų | 146 | 161.8 Ų | 161.8 | 78% | 0.781 | 84% | 0.838 | S | S | * | * | 159 | 117 | 103.8 | -142.9 | -14.5 | 0 | 0 | 0 | 111.2 | |||||
| 20 | N | 32.7 | Very low | 35.9 | Very low | 136 Ų | 136 | 161.1 Ų | 161.1 | 73% | 0.727 | 84% | 0.835 | S | S | * | * | trans | -151.3 | 79.6 | 156.5 | -154.7 | -39.6 | 0 | 0 | 0 | 111.5 | K22 | N20-K22 PolarHBondContact O-N 3.4Š| ||
| 21 | F | 32.2 | Very low | 35.7 | Very low | 151 Ų | 151 | 163.9 Ų | 163.9 | 66% | 0.662 | 83% | 0.828 | S | S | * | * | trans | -79.3 | 105.8 | -179.9 | -169.9 | -100.4 | 0 | 0 | 0 | 112 | K23 | F21-K23 HydrophobicContact CD1-CG 4.36Å; F21-K23 HydrophobicContact CE1-CD 3.66Å; F21-K23 HydrophobicContact CE1-CG 3.69Å; F21-K23 HydrophobicContact CZ-CD 4.23Å; F21-K23 HydrophobicContact CZ-CG 4.15Å | ||
| 22 | K | 40.8 | Very low | 35.7 | Very low | 181 Ų | 181 | 157.7 Ų | 157.7 | 79% | 0.787 | 82% | 0.823 | S | S | * | * | trans | -113.2 | 101.6 | 172.1 | -77.8 | -173.9 | 178.4 | 177.7 | 0 | 112.9 | N20 | N20-K22 PolarHBondContact O-N 3.4Š| ||
| 23 | K | 40.4 | Very low | 36.1 | Very low | 164 Ų | 164 | 162.5 Ų | 162.5 | 71% | 0.713 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 138.2 | 164.6 | -76.3 | 171.8 | 169.4 | 160.2 | 0 | 111.1 | F21 | F21-K23 HydrophobicContact CD1-CG 4.36Å; F21-K23 HydrophobicContact CE1-CD 3.66Å; F21-K23 HydrophobicContact CE1-CG 3.69Å; F21-K23 HydrophobicContact CZ-CD 4.23Å; F21-K23 HydrophobicContact CZ-CG 4.15Å |
| 24 | P | 35.7 | Very low | 35.9 | Very low | 130 Ų | 130 | 162.1 Ų | 162.1 | 84% | 0.844 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 139.1 | 159.8 | -8.7 | 26.5 | 0 | 0 | 0 | 111.3 | ||
| 25 | T | 35.7 | Very low | 35.7 | Very low | 141 Ų | 141 | 164.3 Ų | 164.3 | 87% | 0.865 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 159.2 | 178.6 | 34.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 26 | R | 37.1 | Very low | 35.2 | Very low | 257 Ų | 257 | 162.1 Ų | 162.1 | 97% | 0.97 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 133.7 | 175.7 | -93.5 | 178.2 | 161.9 | 178.3 | -4.8 | 112.7 | ||
| 27 | S | 37 | Very low | 34.8 | Very low | 113 Ų | 113 | 161.8 Ų | 161.8 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | -145.5 | 124.7 | 148 | 49.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 28 | N | 32.1 | Very low | 34.6 | Very low | 157 Ų | 157 | 157.4 Ų | 157.4 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | 86.1 | 142.7 | 52.7 | -157.2 | 24.7 | 0 | 0 | 0 | 113.3 | |||||
| 29 | M | 31.3 | Very low | 34.4 | Very low | 155 Ų | 155 | 154.3 Ų | 154.3 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | trans | 68.4 | 144.6 | -162 | -103.9 | 116.2 | 70.8 | 0 | 0 | 115.2 | ||||
| 30 | Q | 36.3 | Very low | 34.2 | Very low | 173 Ų | 173 | 150.8 Ų | 150.8 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | cis | -145.7 | 150.3 | 8 | -159.6 | 154.7 | -42.4 | 0 | 0 | 112.7 | ||||
| 31 | R | 34.3 | Very low | 34.2 | Very low | 212 Ų | 212 | 154.4 Ų | 154.4 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | trans | -101 | 120.9 | -178.1 | 174.1 | -167 | -172.3 | -165.7 | 9.3 | 110 | ||||
| 32 | S | 35 | Very low | 34.2 | Very low | 122 Ų | 122 | 157.2 Ų | 157.2 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | trans | -120.3 | 115.2 | 168.8 | 51.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 33 | K | 40 | Very low | 33.8 | Very low | 174 Ų | 174 | 154 Ų | 154 | 76% | 0.757 | 84% | 0.835 | S | S | * | * | trans | -90.6 | 138 | 162.5 | -85.9 | 178.1 | 167.1 | -179.5 | 0 | 108.3 | ||||
| 34 | M | 34.8 | Very low | 33.2 | Very low | 177 Ų | 177 | 151.4 Ų | 151.4 | 87% | 0.872 | 84% | 0.844 | S | S | * | * | trans | -165.7 | 132.2 | 131.1 | -78.1 | -129.9 | -177.9 | 0 | 0 | 105.9 | ||||
| 35 | R | 31.1 | Very low | 32.7 | Very low | 245 Ų | 245 | 148.8 Ų | 148.8 | 93% | 0.925 | 84% | 0.841 | S | S | * | * | 51.2 | 124 | 69.1 | -78.2 | -176.6 | 156.8 | -129.4 | -0.6 | 111.9 | |||||
| 36 | G | 27.3 | Very low | 32.3 | Very low | 80 Ų | 80 | 148 Ų | 148 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | cis | 148 | 127.6 | -5.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 37 | A | 30.7 | Very low | 32 | Very low | 94 Ų | 94 | 144.7 Ų | 144.7 | 78% | 0.777 | 84% | 0.837 | S | S | * | * | trans | -164.9 | 123 | 161.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 38 | A | 32 | Very low | 32.5 | Very low | 105 Ų | 105 | 143.9 Ų | 143.9 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | cis | 68.8 | 83.7 | 40.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 39 | S | 31.3 | Very low | 32.3 | Very low | 127 Ų | 127 | 145.8 Ų | 145.8 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | trans | -138.7 | 111.8 | 146.8 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 40 | G | 30.8 | Very low | 32.4 | Very low | 72 Ų | 72 | 146.1 Ų | 146.1 | 74% | 0.742 | 83% | 0.834 | S | S | * | * | trans | -123.1 | 133.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 41 | K | 33.3 | Very low | 32 | Very low | 213 Ų | 213 | 146.3 Ų | 146.3 | 93% | 0.926 | 84% | 0.84 | S | S | * | * | trans | -136.7 | 111.1 | 161.2 | -99.5 | -175.9 | 174.3 | -179.9 | 0 | 109.4 | ||||
| 42 | K | 32.2 | Very low | 31.8 | Very low | 209 Ų | 209 | 144.1 Ų | 144.1 | 91% | 0.909 | 84% | 0.839 | S | S | * | * | trans | -92.1 | 146.3 | 158.3 | -74.3 | -179.4 | 172.2 | -178.6 | 0 | 108.3 | ||||
| 43 | S | 30.4 | Very low | 32.4 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 79% | 0.79 | 83% | 0.83 | S | S | * | * | trans | -173.7 | 124.4 | 137.8 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 44 | A | 28.4 | Very low | 31.9 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | trans | 48.7 | 143.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 45 | G | 24.8 | Very low | 32.1 | Very low | 76 Ų | 76 | 139.1 Ų | 139.1 | 78% | 0.784 | 83% | 0.832 | S | S | * | * | cis | 128.7 | 103.1 | -4.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 46 | S | 28.6 | Very low | 32.4 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | -161.8 | 123.5 | 165.1 | 47.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 47 | Q | 31.2 | Very low | 32.5 | Very low | 186 Ų | 186 | 132.5 Ų | 132.5 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | trans | -92 | -172.8 | 170.7 | -106.5 | -162.9 | -19 | 0 | 0 | 110.3 | ||||
| 48 | P | 46.6 | Very low | 32.7 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 63% | 0.63 | 82% | 0.823 | S | S | * | * | cis | -126.4 | -177.4 | -2.6 | 27.5 | -2.9 | 0 | 0 | 0 | 112.9 | ||||
| 49 | K | 28.9 | Very low | 32.5 | Very low | 196 Ų | 196 | 146.7 Ų | 146.7 | 85% | 0.852 | 83% | 0.828 | S | S | * | * | -172.2 | 149.4 | 82.6 | -83.1 | 173.6 | -177.4 | 177.5 | 0 | 112.4 | |||||
| 50 | N | 31.7 | Very low | 32.3 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | trans | -63.4 | 156.8 | 174 | -73.9 | -21.3 | 0 | 0 | 0 | 113.5 | ||||
| 51 | L | 29.8 | Very low | 32.1 | Very low | 177 Ų | 177 | 144 Ų | 144 | 93% | 0.927 | 82% | 0.82 | S | S | * | * | -171.5 | 130.4 | 128.3 | -97.9 | 164 | 0 | 0 | 0 | 110.6 | |||||
| 52 | E | 28.4 | Very low | 32 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 78% | 0.78 | 82% | 0.819 | S | S | * | * | trans | -136.3 | 169.9 | 164 | -128.9 | -124.8 | 121.5 | 0 | 0 | 105.5 | ||||
| 53 | P | 49.2 | Very low | 31.9 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | cis | -128 | 173.3 | -1.4 | 42.5 | -29.3 | 0 | 0 | 0 | 114 | ||||
| 54 | A | 29 | Very low | 32.2 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | -176.9 | 122.6 | 144.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 55 | L | 37.7 | Very low | 32.1 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -98 | 150.9 | 161.1 | -73.6 | 168.2 | 0 | 0 | 0 | 110.1 | ||||
| 56 | P | 38.3 | Very low | 32.5 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | -140 | 166.4 | 114.8 | 37.6 | -25.8 | 0 | 0 | 0 | 112.1 | |||||
| 57 | G | 30.2 | Very low | 33.5 | Very low | 59 Ų | 59 | 147 Ų | 147 | 61% | 0.608 | 81% | 0.808 | S | S | * | * | cis | 159.5 | 88.5 | 2.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | W59 | G57-W59 VanDerWaalsContact O-CD1 3.28Š| ||
| 58 | R | 33.2 | Very low | 34.4 | Very low | 238 Ų | 238 | 143.3 Ų | 143.3 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | trans | -5.4 | 125.9 | 157.4 | -170.6 | -176.9 | -155.2 | -96.5 | 4.6 | 117.2 | ||||
| 59 | W | 29 | Very low | 33.7 | Very low | 258 Ų | 258 | 144.8 Ų | 144.8 | 98% | 0.977 | 81% | 0.813 | S | S | * | * | trans | -119.9 | 134.6 | 165 | -83.5 | 69.4 | 0 | 0 | 0 | 112.5 | G57 | G57-W59 VanDerWaalsContact O-CD1 3.28Š| ||
| 60 | G | 26.6 | Very low | 33.6 | Very low | 69 Ų | 69 | 139 Ų | 139 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | 177 | 128.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 61 | G | 26.6 | Very low | 33.5 | Very low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | 111.3 | 99.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 62 | R | 30.4 | Very low | 33.6 | Very low | 241 Ų | 241 | 132.9 Ų | 132.9 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | 73.2 | 132.6 | 131.1 | -64.9 | -175.5 | -167.4 | -99.6 | 0.8 | 123 | ||||
| 63 | S | 30.7 | Very low | 33.8 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | 83.1 | 106.9 | 133.2 | -66.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 64 | A | 36.9 | Very low | 33 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | 76.9 | 153.9 | 116.3 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 65 | E | 26.2 | Very low | 33.2 | Very low | 195 Ų | 195 | 140.1 Ų | 140.1 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | 90.9 | 133.4 | 165.2 | -56 | -169.2 | 90.7 | 0 | 0 | 120.4 | ||||
| 66 | N | 34 | Very low | 33.2 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -90.1 | -173.8 | 170.2 | -69.3 | -59.9 | 0 | 0 | 0 | 108.9 | ||||
| 67 | P | 49 | Very low | 33.1 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | cis | -140.7 | -135.4 | 8 | 44.7 | -21.7 | 0 | 0 | 0 | 111.8 | ||||
| 68 | P | 50.7 | Low | 33.2 | Very low | 108 Ų | 108 | 147.3 Ų | 147.3 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | cis | -129.6 | 168.1 | -39.4 | 36.9 | -20.9 | 0 | 0 | 0 | 115.9 | ||||
| 69 | S | 31.5 | Very low | 33.4 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | 51.3 | 138.3 | 139.9 | -160.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 70 | G | 27.5 | Very low | 33.8 | Very low | 75 Ų | 75 | 137.8 Ų | 137.8 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | 170.6 | 67.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 71 | S | 29.7 | Very low | 34.3 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -13.1 | 133.7 | 161.8 | 162.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 72 | A | 31.7 | Very low | 34.6 | Very low | 90 Ų | 90 | 146.4 Ų | 146.4 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | -169.2 | 123.1 | 129.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 73 | R | 32.7 | Very low | 35.4 | Very low | 211 Ų | 211 | 141 Ų | 141 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | 48.3 | 137 | 82.4 | -90.2 | -171.7 | 164 | 177.1 | 0.1 | 114.7 | |||||
| 74 | K | 30.6 | Very low | 35.4 | Very low | 171 Ų | 171 | 139 Ų | 139 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | cis | -163.3 | 159.3 | 20 | -143.2 | 168.7 | -172.8 | 176.5 | 0 | 112.4 | ||||
| 75 | T | 33.6 | Very low | 35.2 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -98.2 | 158.3 | 176.9 | 45.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 76 | R | 38.1 | Very low | 35.3 | Very low | 230 Ų | 230 | 137 Ų | 137 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | trans | 173 | 156.6 | 147.8 | -101.7 | 173.6 | 169.2 | -170.9 | -3.3 | 109.7 | ||||
| 77 | K | 36.3 | Very low | 35.1 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 67% | 0.674 | 77% | 0.77 | S | S | * | * | cis | -163.9 | 152.2 | 15.1 | -146.9 | -176.8 | 178.8 | -179.7 | 0 | 111.9 | ||||
| 78 | N | 31.8 | Very low | 34.2 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | trans | 59.4 | 160.6 | 144.5 | -86.7 | 12.1 | 0 | 0 | 0 | 121 | ||||
| 79 | K | 38.2 | Very low | 33.2 | Very low | 153 Ų | 153 | 134.1 Ų | 134.1 | 67% | 0.665 | 78% | 0.777 | S | S | * | * | cis | -179.4 | 152.3 | -20.1 | -159.1 | 167.3 | 167.1 | -179.8 | 0 | 103.9 | ||||
| 80 | Q | 36.5 | Very low | 33.2 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 67% | 0.673 | 77% | 0.771 | S | S | * | * | 174.3 | 134.4 | 59.2 | -165.9 | 146.6 | -49.4 | 0 | 0 | 111.9 | |||||
| 81 | K | 37.1 | Very low | 33.5 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | trans | 45.5 | 129.6 | 146.3 | -66.9 | -171.4 | 170.9 | -166.3 | 0 | 122.3 | ||||
| 82 | I | 33.7 | Very low | 33.7 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | 76.7 | 139.8 | 60 | -70.5 | 170.6 | 0 | 0 | 0 | 112 | |||||
| 83 | P | 48.1 | Very low | 33.8 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | cis | -131 | -175.3 | 28.8 | 23.8 | 2.2 | 0 | 0 | 0 | 116.2 | ||||
| 84 | G | 30.2 | Very low | 34.3 | Very low | 64 Ų | 64 | 137.4 Ų | 137.4 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | cis | 165.1 | 168.2 | -4.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 85 | N | 31.6 | Very low | 34.5 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | trans | 41.6 | 136.5 | 174 | -69 | 30.5 | 0 | 0 | 0 | 118.7 | ||||
| 86 | G | 29.2 | Very low | 35 | Very low | 71 Ų | 71 | 137.4 Ų | 137.4 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | cis | -165.6 | -160.5 | -0.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 87 | D | 30.5 | Very low | 35.3 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | cis | -155.1 | -153.9 | -7 | -148.9 | -58.6 | 0 | 0 | 0 | 108.5 | ||||
| 88 | G | 29.9 | Very low | 35.5 | Very low | 74 Ų | 74 | 130.3 Ų | 130.3 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | -64.2 | 151.9 | -174 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 89 | G | 28.2 | Very low | 36.2 | Very low | 79 Ų | 79 | 136.5 Ų | 136.5 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | 176.6 | 116.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 90 | S | 33.1 | Very low | 36.7 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -79.8 | 137.9 | 175.8 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 91 | T | 32.8 | Very low | 37.1 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | 161.8 | 161.1 | 129.4 | 41.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 92 | S | 34.8 | Very low | 37.6 | Very low | 114 Ų | 114 | 145 Ų | 145 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | -59.3 | 136.8 | -175 | -42.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 93 | E | 33.2 | Very low | 38.1 | Very low | 193 Ų | 193 | 142.3 Ų | 142.3 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | -170.7 | 154.8 | 129.7 | -108.1 | -175.4 | 125.2 | 0 | 0 | 111.7 | P95 | E93-P95 WeakPolarHBondContact O-CD 3.07Š| |||
| 94 | V | 42.6 | Very low | 38.2 | Very low | 139 Ų | 139 | 147.3 Ų | 147.3 | 84% | 0.842 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 116.8 | -173.8 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | ||
| 95 | P | 34.7 | Very low | 39.1 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 75% | 0.753 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 133 | -179.2 | -14.6 | 31.2 | 0 | 0 | 0 | 113.1 | E93 | E93-P95 WeakPolarHBondContact O-CD 3.07Š|
| 96 | Q | 45.5 | Very low | 39.6 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 143.8 | 172.4 | -68.8 | -169.9 | -1.2 | 0 | 0 | 112.5 | ||
| 97 | P | 43.1 | Very low | 40.7 | Very low | 114 Ų | 114 | 147 Ų | 147 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 155.9 | 172.6 | 30.4 | -34.1 | 0 | 0 | 0 | 112.8 | ||
| 98 | P | 40.8 | Very low | 41.9 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 145.8 | -161.8 | 28.6 | -36.4 | 0 | 0 | 0 | 114.9 | K100 | P98-K100 PolarHBondContact O-N 3.16Š|
| 99 | R | 46.3 | Very low | 43.1 | Very low | 255 Ų | 255 | 146.9 Ų | 146.9 | 96% | 0.962 | 80% | 0.804 | S | S | * | * | trans | -58.2 | 97.6 | 173.3 | -72.9 | 179.5 | 171.1 | 179.8 | -3.3 | 111.6 | K101 | R99-K101 PolarHBondContact O-N 3.45Š| ||
| 100 | K | 48.5 | Very low | 44.2 | Very low | 199 Ų | 199 | 147.9 Ų | 147.9 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 120.5 | 162.4 | -73.8 | -177.7 | 177.8 | 177.7 | 0 | 108.6 | P98 R102 | P98-K100 PolarHBondContact O-N 3.16Å; K100-R102 PolarHBondContact O-N 3.38Å; K100-R102 VanDerWaalsContact O-N 3.08Å |
| 101 | K | 45.2 | Very low | 45.4 | Very low | 202 Ų | 202 | 145.7 Ų | 145.7 | 88% | 0.878 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 116.4 | 167.2 | -72.4 | 179.4 | 176.1 | 178.7 | 0 | 107.7 | R99 A103 | R99-K101 PolarHBondContact O-N 3.45Å; K101-A103 PolarHBondContact O-N 2.66Å; K101-A103 VanDerWaalsContact O-N 3.14Å |
| 102 | R | 48.4 | Very low | 46.5 | Very low | 245 Ų | 245 | 145.8 Ų | 145.8 | 93% | 0.925 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 120.7 | 165.9 | -92.2 | -179.6 | 167.3 | 174.7 | -5.1 | 106.8 | K100 R104 | K100-R102 PolarHBondContact O-N 3.38Å; K100-R102 VanDerWaalsContact O-N 3.08Å; R102-R104 PolarHBondContact O-N 3.25Å |
| 103 | A | 44.4 | Very low | 47.3 | Very low | 95 Ų | 95 | 147.1 Ų | 147.1 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 126.6 | 161 | 0 | 0 | 0 | 0 | 0 | 106.7 | K101 A105 | K101-A103 PolarHBondContact O-N 2.66Å; K101-A103 VanDerWaalsContact O-N 3.14Å; A103-A105 PolarHBondContact O-N 3.13Å |
| 104 | R | 50 | Low | 48.1 | Very low | 233 Ų | 233 | 139.7 Ų | 139.7 | 88% | 0.879 | 73% | 0.728 | S | S | * | * | trans | -65.5 | 102.9 | 175.7 | -175.7 | 179.1 | -173.7 | 175.1 | 0.9 | 106 | R102 D106 | R102-R104 PolarHBondContact O-N 3.25Å; R104-D106 PolarHBondContact O-N 3.13Å | ||
| 105 | A | 48.9 | Very low | 48.5 | Very low | 86 Ų | 86 | 138.7 Ų | 138.7 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | trans | -56.8 | 135.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | A103 | A103-A105 PolarHBondContact O-N 3.13Š| ||
| 106 | D | 42.2 | Very low | 49.1 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 59% | 0.588 | 70% | 0.698 | S | S | * | * | trans | -63 | 131.7 | 179.7 | -148.7 | -59.7 | 0 | 0 | 0 | 108.9 | R104 T108 | R104-D106 PolarHBondContact O-N 3.13Å; D106-T108 VanDerWaalsContact CG-OG1 3.27Å; D106-T108 PolarHBondContact O-N 3.07Å; D106-T108 WeakPolarHBondContact OD1-CG2 3.38Å; D106-T108 PolarHBondContact OD1-OG1 3.17Å | ||
| 107 | P | 51.9 | Low | 49.2 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -3.9 | -178 | -17.5 | 31.5 | 0 | 0 | 0 | 114 | ||
| 108 | T | 55.5 | Low | 49.6 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 69% | 0.693 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -9.3 | -168.2 | 48.4 | 0 | 0 | 0 | 0 | 114.9 | D106 | D106-T108 VanDerWaalsContact CG-OG1 3.27Å; D106-T108 PolarHBondContact O-N 3.07Å; D106-T108 WeakPolarHBondContact OD1-CG2 3.38Å; D106-T108 PolarHBondContact OD1-OG1 3.17Å |
| 109 | V | 55.9 | Low | 50.2 | Low | 128 Ų | 128 | 136.9 Ų | 136.9 | 78% | 0.776 | 67% | 0.671 | S | S | * | * | trans | -108 | 87.2 | 172.2 | -172 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 110 | E | 51.3 | Low | 51.2 | Low | 100 Ų | 100 | 131.7 Ų | 131.7 | 47% | 0.467 | 66% | 0.658 | S | S | . | * | trans | -63.8 | 144.8 | 165.7 | -63.9 | -160 | 132.3 | 0 | 0 | 109.9 | E112 R118 | E110-E112 PolarHBondContact O-N 2.87Å; E110-R118 VanDerWaalsContact CD-NH1 3.33Å; E110-R118 IonicContact OE1-CZ 3.64Å; E110-R118 IonicContact OE1-NH1 2.74Å; E110-R118 PolarHBondContact OE1-NH1 3.04Å; E110-R118 VanDerWaalsContact OE1-NH1 3.13Å; E110-R118 IonicContact OE1-NH2 3.18Å; E110-R118 PolarHBondContact OE1-NH2 3.38Å; E110-R118 IonicContact OE2-CZ 3.13Å; E110-R118 IonicContact OE2-NH1 3.9Å; E110-R118 PolarHBondContact OE2-NH1 3.01Å; E110-R118 IonicContact OE2-NH2 3.34Å; E110-R118 PolarHBondContact OE2-NH2 3.43Å; E110-R118 VanDerWaalsContact OE2-NH2 3.17Å | ||
| 111 | S | 57.2 | Low | 52.8 | Low | 64 Ų | 64 | 122.8 Ų | 122.8 | 45% | 0.448 | 62% | 0.62 | S | S | . | * | trans | -56.9 | 136.5 | 175 | 176.7 | 0 | 0 | 0 | 0 | 110 | E113 A114 F115 | S111-E113 PolarHBondContact O-N 3.49Å; S111-E113 PolarHBondContact OG-N 3.26Å; S111-A114 WeakPolarHBondContact O-CA 3.35Å; S111-A114 WeakPolarHBondContact O-CB 3.41Å; S111-A114 PolarHBondContact O-N 2.92Å; S111-F115 PolarHBondContact O-N 3.49Å | ||
| 112 | E | 56.2 | Low | 54.5 | Low | 139 Ų | 139 | 120.7 Ų | 120.7 | 65% | 0.65 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -51.5 | -28.4 | 173.8 | -144.9 | -164.8 | 109.8 | 0 | 0 | 111.8 | E110 K116 | E110-E112 PolarHBondContact O-N 2.87Å; E112-K116 WeakPolarHBondContact O-CD 3.31Å; E112-K116 VanDerWaalsContact O-CG 3.23Å; E112-K116 WeakPolarHBondContact O-CG 3.42Å; E112-K116 PolarHBondContact O-N 3.44Å; E112-K116 VanDerWaalsContact O-N 3.12Å; E112-K116 WeakPolarHBondContact OE1-CE 3.47Å; E112-K116 IonicContact OE1-NZ 2.71Å; E112-K116 PolarHBondContact OE1-NZ 3.03Å |
| 113 | E | 51.8 | Low | 56.5 | Low | 142 Ų | 142 | 109.8 Ų | 109.8 | 66% | 0.664 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -77.2 | -30 | 176.9 | -59.3 | 173.1 | 148 | 0 | 0 | 113.5 | S111 F115 N117 | S111-E113 PolarHBondContact O-N 3.49Å; S111-E113 PolarHBondContact OG-N 3.26Å; E113-F115 VanDerWaalsContact C-N 3.33Å; E113-N117 PolarHBondContact O-N 3.33Å |
| 114 | A | 50.2 | Low | 58.8 | Low | 37 Ų | 37 | 112.6 Ų | 112.6 | 31% | 0.306 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -72.8 | -29.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S111 R118 | S111-A114 WeakPolarHBondContact O-CA 3.35Å; S111-A114 WeakPolarHBondContact O-CB 3.41Å; S111-A114 PolarHBondContact O-N 2.92Å; A114-R118 WeakPolarHBondContact O-CG 3.49Å |
| 115 | F | 50.7 | Low | 61 | Low | 117 Ų | 117 | 103 Ų | 103 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72.2 | -45.2 | 171.9 | -160.6 | -91.3 | 0 | 0 | 0 | 111.5 | S111 E113 N117 R118 Y241 | S111-F115 PolarHBondContact O-N 3.49Å; E113-F115 VanDerWaalsContact C-N 3.33Å; F115-N117 PolarHBondContact O-N 3.44Å; F115-R118 PolarHBondContact O-N 3.24Å; F115-R118 VanDerWaalsContact O-N 3.16Å; F115-Y241 HydrophobicContact CD1-CE1 4.39Å; F115-Y241 HydrophobicContact CE1-CD1 4.31Å |
| 116 | K | 48.1 | Very low | 63.2 | Low | 100 Ų | 100 | 100 Ų | 100 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -52.5 | -26.9 | 176.5 | -76.3 | 164.1 | -163.2 | 167 | 0 | 114.1 | E112 | E112-K116 WeakPolarHBondContact O-CD 3.31Å; E112-K116 VanDerWaalsContact O-CG 3.23Å; E112-K116 WeakPolarHBondContact O-CG 3.42Å; E112-K116 PolarHBondContact O-N 3.44Å; E112-K116 VanDerWaalsContact O-N 3.12Å; E112-K116 WeakPolarHBondContact OE1-CE 3.47Å; E112-K116 IonicContact OE1-NZ 2.71Å; E112-K116 PolarHBondContact OE1-NZ 3.03Å |
| 117 | N | 46.5 | Very low | 65.7 | Low | 141 Ų | 141 | 101.4 Ų | 101.4 | 75% | 0.754 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -2.3 | -174.6 | -154.8 | 23.5 | 0 | 0 | 0 | 114.9 | E113 F115 | E113-N117 PolarHBondContact O-N 3.33Å; F115-N117 PolarHBondContact O-N 3.44Å |
| 118 | R | 51.2 | Low | 67.8 | Low | 161 Ų | 161 | 101.9 Ų | 101.9 | 61% | 0.608 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -86.8 | -20.6 | -173.4 | -83 | 179.4 | -166 | -178 | 9.2 | 115.6 | E110 A114 F115 | E110-R118 VanDerWaalsContact CD-NH1 3.33Å; E110-R118 IonicContact OE1-CZ 3.64Å; E110-R118 IonicContact OE1-NH1 2.74Å; E110-R118 PolarHBondContact OE1-NH1 3.04Å; E110-R118 VanDerWaalsContact OE1-NH1 3.13Å; E110-R118 IonicContact OE1-NH2 3.18Å; E110-R118 PolarHBondContact OE1-NH2 3.38Å; E110-R118 IonicContact OE2-CZ 3.13Å; E110-R118 IonicContact OE2-NH1 3.9Å; E110-R118 PolarHBondContact OE2-NH1 3.01Å; E110-R118 IonicContact OE2-NH2 3.34Å; E110-R118 PolarHBondContact OE2-NH2 3.43Å; E110-R118 VanDerWaalsContact OE2-NH2 3.17Å; A114-R118 WeakPolarHBondContact O-CG 3.49Å; F115-R118 PolarHBondContact O-N 3.24Å; F115-R118 VanDerWaalsContact O-N 3.16Å |
| 119 | M | 54.2 | Low | 69.8 | Low | 99 Ų | 99 | 96.5 Ų | 96.5 | 49% | 0.488 | 47% | 0.468 | S | S | . | . | trans | -158.1 | 58.7 | -177.8 | -144.1 | 170.8 | -174 | 0 | 0 | 112.5 | V121 A240 L249 | M119-V121 PolarHBondContact O-N 3.03Å; M119-A240 VanDerWaalsContact O-CB 3.27Å; M119-A240 WeakPolarHBondContact O-CB 3.47Å; M119-L249 HydrophobicContact CE-CD2 3.9Å | ||
| 120 | E | 67.1 | Low | 71.7 | Confident | 147 Ų | 147 | 94.8 Ų | 94.8 | 69% | 0.687 | 45% | 0.45 | S | S | * | . | trans | -64.9 | 102.1 | 172.4 | -169.7 | -174 | -163.7 | 0 | 0 | 109.9 | K122 | E120-K122 PolarHBondContact O-N 3.04Š| ||
| 121 | V | 81.1 | Confident | 73.9 | Confident | 11 Ų | 11 | 93.9 Ų | 93.9 | 7% | 0.067 | 45% | 0.453 | C | S | . | . | trans | -74.2 | 93.8 | -177.8 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | M119 V123 G236 L239 L249 L253 | M119-V121 PolarHBondContact O-N 3.03Å; V121-V123 PolarHBondContact O-N 3.37Å; V121-G236 WeakPolarHBondContact CB-O 3.44Å; V121-G236 CarbonylContact O-C 3.5Å; V121-G236 WeakPolarHBondContact O-CA 3.14Å; V121-L239 HydrophobicContact CB-CB 3.94Å; V121-L239 HydrophobicContact CG1-CB 4.07Å; V121-L239 HydrophobicContact CG1-CD1 3.86Å; V121-L239 HydrophobicContact CG2-CB 3.98Å; V121-L249 HydrophobicContact CG1-CD1 3.91Å; V121-L249 HydrophobicContact CG2-CD1 4.16Å; V121-L249 HydrophobicContact CG2-CD2 4.1Å; V121-L253 HydrophobicContact CG1-CD1 4.04Å; V121-L253 HydrophobicContact CG1-CD2 3.85Å; V121-L253 HydrophobicContact CG1-CG 4.29Å | ||
| 122 | K | 81.6 | Confident | 75.7 | Confident | 159 Ų | 159 | 94.1 Ų | 94.1 | 69% | 0.691 | 44% | 0.444 | S | S | * | . | trans | -78.8 | 91.6 | -175.4 | -164 | 162.1 | -169.5 | 160.6 | 0 | 113 | E120 K124 | E120-K122 PolarHBondContact O-N 3.04Å; K122-K124 PolarHBondContact O-N 3.43Å | ||
| 123 | V | 90.4 | Very high | 77.7 | Confident | 15 Ų | 15 | 89 Ų | 89 | 9% | 0.091 | 42% | 0.421 | C | S | . | . | trans | -62 | 124 | 166.4 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | V121 F232 I235 L239 L253 L260 | V121-V123 PolarHBondContact O-N 3.37Å; V123-F232 HydrophobicContact CG1-CD1 4.47Å; V123-I235 HydrophobicContact CG2-CG2 3.99Å; V123-L239 HydrophobicContact CG2-CD1 4.36Å; V123-L253 HydrophobicContact CG2-CD2 4Å; V123-L260 HydrophobicContact CG1-CD1 3.77Å | ||
| 124 | K | 93.2 | Very high | 79.8 | Confident | 154 Ų | 154 | 86.8 Ų | 86.8 | 67% | 0.67 | 42% | 0.417 | S | S | * | . | trans | -90.7 | 108.4 | -178.2 | -66.5 | -176.5 | -178.5 | 179.1 | 0 | 110.1 | K122 P126 | K122-K124 PolarHBondContact O-N 3.43Å; K124-P126 WeakPolarHBondContact O-CD 3.5Å | ||
| 125 | I | 95.6 | Very high | 82.1 | Confident | 32 Ų | 32 | 89 Ų | 89 | 16% | 0.164 | 42% | 0.421 | C | S | . | . | trans | -72.3 | 125.7 | 171.8 | -51.6 | -57.9 | 0 | 0 | 0 | 109.5 | L129 L133 F232 V233 L260 | I125-L129 HydrophobicContact CG2-CB 3.93Å; I125-L133 HydrophobicContact CG2-CD1 4.12Å; I125-F232 HydrophobicContact CD1-CB 3.63Å; I125-V233 HydrophobicContact CD1-CG2 4.4Å; I125-V233 HydrophobicContact CG1-CG2 4.42Å; I125-L260 HydrophobicContact CD1-CD1 4.11Å; I125-L260 HydrophobicContact CD1-CD2 4.24Å | ||
| 126 | P | 96 | Very high | 84.3 | Confident | 23 Ų | 23 | 83.7 Ų | 83.7 | 15% | 0.149 | 40% | 0.398 | C | S | . | . | trans | -52.3 | 146.7 | 171.9 | -25.8 | 33.1 | 0 | 0 | 0 | 112.5 | K124 E128 L129 L260 A264 | K124-P126 WeakPolarHBondContact O-CD 3.5Å; P126-E128 WeakPolarHBondContact CB-OE2 3.43Å; P126-E128 PolarHBondContact O-N 2.9Å; P126-L129 HydrophobicContact CB-CD1 4.41Å; P126-L129 HydrophobicContact CB-CG 4.44Å; P126-L129 HydrophobicContact CG-CD1 4.13Å; P126-L129 PolarHBondContact O-N 3.15Å; P126-L129 VanDerWaalsContact O-N 3.11Å; P126-L260 HydrophobicContact CG-CB 3.87Å; P126-A264 HydrophobicContact CB-CB 4.29Å | ||
| 127 | E | 94.5 | Very high | 86.7 | Confident | 140 Ų | 140 | 84.5 Ų | 84.5 | 65% | 0.654 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -66.6 | -32.6 | -173.1 | -54 | -132.2 | 108.8 | 0 | 0 | 111.8 | L129 K130 P131 | E127-L129 PolarHBondContact O-N 2.96Å; E127-K130 PolarHBondContact O-N 3.25Å; E127-K130 IonicContact OE1-NZ 3.72Å; E127-K130 PolarHBondContact OE1-NZ 2.84Å; E127-P131 WeakPolarHBondContact O-CD 3.36Å |
| 128 | E | 95.6 | Very high | 89.1 | Confident | 118 Ų | 118 | 79.1 Ų | 79.1 | 55% | 0.551 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -63.4 | -23.5 | 176.5 | -50.6 | 85.5 | 167.1 | 0 | 0 | 112.6 | P126 W132 A264 | P126-E128 WeakPolarHBondContact CB-OE2 3.43Å; P126-E128 PolarHBondContact O-N 2.9Å; E128-W132 VanDerWaalsContact O-CD1 3.23Å; E128-A264 HydrophobicContact CB-CB 4.4Å |
| 129 | L | 96.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -94.3 | -12.1 | 179.2 | -66.9 | 180 | 0 | 0 | 0 | 113.5 | I125 P126 E127 L133 L229 L260 L263 A264 F271 | I125-L129 HydrophobicContact CG2-CB 3.93Å; P126-L129 HydrophobicContact CB-CD1 4.41Å; P126-L129 HydrophobicContact CB-CG 4.44Å; P126-L129 HydrophobicContact CG-CD1 4.13Å; P126-L129 PolarHBondContact O-N 3.15Å; P126-L129 VanDerWaalsContact O-N 3.11Å; E127-L129 PolarHBondContact O-N 2.96Å; L129-L133 PolarHBondContact O-N 3.31Å; L129-L229 HydrophobicContact CB-CD1 4.29Å; L129-L229 HydrophobicContact CB-CD2 4.18Å; L129-L229 HydrophobicContact CD1-CD1 3.85Å; L129-L229 HydrophobicContact CD2-CD2 4.31Å; L129-L260 HydrophobicContact CD1-CD2 4.2Å; L129-L260 WeakPolarHBondContact CD1-O 3.17Å; L129-L263 HydrophobicContact CD1-CB 3.97Å; L129-A264 HydrophobicContact CD1-CB 4.12Å; L129-A264 HydrophobicContact CD2-CB 4.35Å; L129-A264 HydrophobicContact CG-CB 3.98Å; L129-F271 HydrophobicContact CD2-CD2 4.35Å; L129-F271 HydrophobicContact CD2-CE2 3.63Å; L129-F271 HydrophobicContact CD2-CZ 4.23Å |
| 130 | K | 96.3 | Very high | 93.3 | Very high | 92 Ų | 92 | 67.1 Ų | 67.1 | 40% | 0.4 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.8 | -43.3 | 178 | -59.3 | 172.9 | -172.8 | 174 | 0 | 112.7 | E127 W132 L133 V134 | E127-K130 PolarHBondContact O-N 3.25Å; E127-K130 IonicContact OE1-NZ 3.72Å; E127-K130 PolarHBondContact OE1-NZ 2.84Å; K130-W132 VanDerWaalsContact C-N 3.33Å; K130-W132 PolarHBondContact O-N 2.94Å; K130-L133 PolarHBondContact O-N 3.21Å; K130-V134 PolarHBondContact O-N 3.02Å |
| 131 | P | 96.9 | Very high | 94.6 | Very high | 80 Ų | 80 | 61.6 Ų | 61.6 | 52% | 0.519 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 175.6 | -26.2 | 35.5 | 0 | 0 | 0 | 112.7 | E127 L133 V134 E135 | E127-P131 WeakPolarHBondContact O-CD 3.36Å; P131-L133 VanDerWaalsContact C-N 3.32Å; P131-L133 PolarHBondContact O-N 3.33Å; P131-V134 PolarHBondContact O-N 3.12Å; P131-E135 PolarHBondContact O-N 3.43Å |
| 132 | W | 96.9 | Very high | 95.3 | Very high | 69 Ų | 69 | 69.2 Ų | 69.2 | 26% | 0.261 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.5 | -35.9 | 178.6 | -64.3 | 111.4 | 0 | 0 | 0 | 113.3 | E128 K130 D136 F271 | E128-W132 VanDerWaalsContact O-CD1 3.23Å; K130-W132 VanDerWaalsContact C-N 3.33Å; K130-W132 PolarHBondContact O-N 2.94Å; W132-D136 VanDerWaalsContact O-CB 3.26Å; W132-D136 WeakPolarHBondContact O-CB 3.35Å; W132-D136 PolarHBondContact O-N 2.64Å; W132-F271 HydrophobicContact CB-CG 4.35Å; W132-F271 HydrophobicContact CD2-CB 3.57Å; W132-F271 HydrophobicContact CD2-CD2 4.33Å; W132-F271 HydrophobicContact CD2-CG 4.13Å; W132-F271 HydrophobicContact CE3-CB 3.45Å; W132-F271 VanDerWaalsContact CE3-CB 3.45Å; W132-F271 HydrophobicContact CE3-CG 4.4Å; W132-F271 HydrophobicContact CG-CB 4.1Å; W132-F271 HydrophobicContact CG-CD2 4.16Å; W132-F271 HydrophobicContact CG-CG 4.14Å; W132-F271 HydrophobicContact CH2-CB 4.19Å; W132-F271 WeakPolarHBondContact CH2-O 3.23Å; W132-F271 HydrophobicContact CZ2-CB 4.32Å; W132-F271 HydrophobicContact CZ3-CB 3.78Å; W132-F271 WeakPolarHBondContact CZ3-O 3.43Å |
| 133 | L | 97 | Very high | 96 | Very high | 32 Ų | 32 | 66 Ų | 66 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.6 | -36.3 | 172.9 | -79 | 167.7 | 0 | 0 | 0 | 112.9 | I125 L129 K130 P131 W137 L229 R230 V233 | I125-L133 HydrophobicContact CG2-CD1 4.12Å; L129-L133 PolarHBondContact O-N 3.31Å; K130-L133 PolarHBondContact O-N 3.21Å; P131-L133 VanDerWaalsContact C-N 3.32Å; P131-L133 PolarHBondContact O-N 3.33Å; L133-W137 WeakPolarHBondContact O-CB 3.5Å; L133-W137 PolarHBondContact O-N 2.95Å; L133-W137 VanDerWaalsContact O-N 3.15Å; L133-L229 HydrophobicContact CD1-CD2 4.47Å; L133-L229 HydrophobicContact CD1-CG 4.37Å; L133-L229 HydrophobicContact CD2-CD2 4.13Å; L133-L229 HydrophobicContact CD2-CG 3.93Å; L133-L229 HydrophobicContact CG-CD2 3.84Å; L133-L229 HydrophobicContact CG-CG 4.03Å; L133-R230 HydrophobicContact CD2-CG 4.4Å; L133-V233 HydrophobicContact CD1-CG2 3.66Å; L133-V233 HydrophobicContact CD2-CG2 4.04Å |
| 134 | V | 97.1 | Very high | 96.2 | Very high | 96 Ų | 96 | 69.1 Ų | 69.1 | 58% | 0.582 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -71.4 | -40.5 | 176.5 | 176 | 0 | 0 | 0 | 0 | 110.6 | K130 P131 W137 D138 | K130-V134 PolarHBondContact O-N 3.02Å; P131-V134 PolarHBondContact O-N 3.12Å; V134-W137 PolarHBondContact O-N 3.39Å; V134-D138 WeakPolarHBondContact O-CB 3.31Å; V134-D138 PolarHBondContact O-N 3.23Å |
| 135 | E | 97.2 | Very high | 96.4 | Very high | 83 Ų | 83 | 63.2 Ų | 63.2 | 39% | 0.388 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.1 | -44.6 | 177.6 | -174 | 169.8 | -158.7 | 0 | 0 | 112.3 | P131 W137 D138 L139 | P131-E135 PolarHBondContact O-N 3.43Å; E135-W137 PolarHBondContact O-N 3.32Å; E135-D138 WeakPolarHBondContact O-CB 3.3Å; E135-D138 PolarHBondContact O-N 2.71Å; E135-D138 VanDerWaalsContact O-N 3.13Å; E135-L139 HydrophobicContact CG-CD1 3.95Å; E135-L139 HydrophobicContact CG-CG 4.32Å; E135-L139 WeakPolarHBondContact O-CB 2.79Å; E135-L139 VanDerWaalsContact O-CG 3.24Å; E135-L139 WeakPolarHBondContact O-CG 3.09Å; E135-L139 PolarHBondContact O-N 2.64Å |
| 136 | D | 97.7 | Very high | 96.5 | Very high | 6 Ų | 6 | 62.5 Ų | 62.5 | 3% | 0.032 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.2 | -46.4 | 172.1 | 166.1 | 53 | 0 | 0 | 0 | 112 | W132 D138 L139 V140 R230 Y276 | W132-D136 VanDerWaalsContact O-CB 3.26Å; W132-D136 WeakPolarHBondContact O-CB 3.35Å; W132-D136 PolarHBondContact O-N 2.64Å; D136-D138 VanDerWaalsContact C-N 3.31Å; D136-D138 PolarHBondContact O-N 2.94Å; D136-L139 PolarHBondContact O-N 3.29Å; D136-V140 WeakPolarHBondContact O-CG2 3.37Å; D136-V140 PolarHBondContact O-N 2.98Å; D136-V140 VanDerWaalsContact O-N 3.09Å; D136-R230 IonicContact OD1-CZ 2.61Å; D136-R230 IonicContact OD1-NE 2.71Å; D136-R230 IonicContact OD1-NH2 2.6Å; D136-R230 PolarHBondContact OD1-NH2 3.08Å; D136-R230 IonicContact OD2-CZ 3.17Å; D136-R230 IonicContact OD2-NE 3.12Å; D136-R230 PolarHBondContact OD2-NE 2.93Å; D136-R230 IonicContact OD2-NH2 2.83Å; D136-R230 PolarHBondContact OD2-NH2 3.46Å; D136-Y276 PolarHBondContact OD1-OH 3.48Å |
| 137 | W | 97 | Very high | 96.6 | Very high | 117 Ų | 117 | 62 Ų | 62 | 44% | 0.443 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 174.1 | 176.2 | 82 | 0 | 0 | 0 | 112.1 | L133 V134 E135 T141 R142 Y200 | L133-W137 WeakPolarHBondContact O-CB 3.5Å; L133-W137 PolarHBondContact O-N 2.95Å; L133-W137 VanDerWaalsContact O-N 3.15Å; V134-W137 PolarHBondContact O-N 3.39Å; E135-W137 PolarHBondContact O-N 3.32Å; W137-T141 VanDerWaalsContact CE2-OG1 3.29Å; W137-T141 HydrophobicContact CG-CG2 4.35Å; W137-T141 VanDerWaalsContact O-CB 3.28Å; W137-T141 WeakPolarHBondContact O-CB 3.04Å; W137-T141 WeakPolarHBondContact O-CG2 3.15Å; W137-T141 PolarHBondContact O-N 3.09Å; W137-T141 PolarHBondContact O-OG1 2.96Å; W137-R142 HydrophobicContact CH2-CG 4.39Å; W137-R142 HydrophobicContact CZ3-CG 4.41Å; W137-Y200 AromaticContact CD1-CE1 3.73Å; W137-Y200 AromaticContact CD1-CZ 3.74Å |
| 138 | D | 97.4 | Very high | 96.7 | Very high | 28 Ų | 28 | 58 Ų | 58 | 15% | 0.15 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.3 | -49.5 | 179.3 | -168.4 | 64.7 | 0 | 0 | 0 | 112.3 | V134 E135 D136 V140 R142 Q143 | V134-D138 WeakPolarHBondContact O-CB 3.31Å; V134-D138 PolarHBondContact O-N 3.23Å; E135-D138 WeakPolarHBondContact O-CB 3.3Å; E135-D138 PolarHBondContact O-N 2.71Å; E135-D138 VanDerWaalsContact O-N 3.13Å; D136-D138 VanDerWaalsContact C-N 3.31Å; D136-D138 PolarHBondContact O-N 2.94Å; D138-V140 VanDerWaalsContact C-N 3.33Å; D138-V140 PolarHBondContact O-N 3.13Å; D138-R142 WeakPolarHBondContact O-CA 3.49Å; D138-R142 WeakPolarHBondContact O-CB 3.33Å; D138-R142 PolarHBondContact O-N 2.97Å; D138-R142 WeakPolarHBondContact OD1-CB 3.26Å; D138-R142 WeakPolarHBondContact OD1-CD 3.42Å; D138-R142 IonicContact OD1-CZ 2.63Å; D138-R142 IonicContact OD1-NE 2.7Å; D138-R142 IonicContact OD1-NH1 3.54Å; D138-R142 PolarHBondContact OD1-NH1 3.43Å; D138-R142 IonicContact OD2-NH1 3.37Å; D138-Q143 PolarHBondContact O-N 2.65Å; D138-Q143 PolarHBondContact OD2-NE2 2.77Å |
| 139 | L | 97.6 | Very high | 96.7 | Very high | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -54 | -49 | 178.4 | -74.3 | 167.2 | 0 | 0 | 0 | 111 | E135 D136 Q143 K144 Q145 A273 Y276 | E135-L139 HydrophobicContact CG-CD1 3.95Å; E135-L139 HydrophobicContact CG-CG 4.32Å; E135-L139 WeakPolarHBondContact O-CB 2.79Å; E135-L139 VanDerWaalsContact O-CG 3.24Å; E135-L139 WeakPolarHBondContact O-CG 3.09Å; E135-L139 PolarHBondContact O-N 2.64Å; D136-L139 PolarHBondContact O-N 3.29Å; L139-Q143 CarbonylContact O-C 3.49Å; L139-Q143 WeakPolarHBondContact O-CB 3.42Å; L139-K144 PolarHBondContact O-N 2.6Å; L139-Q145 HydrophobicContact CD2-CG 4.43Å; L139-Q145 WeakPolarHBondContact O-CB 3.3Å; L139-Q145 PolarHBondContact O-N 3.01Å; L139-A273 HydrophobicContact CD1-CB 4.46Å; L139-Y276 HydrophobicContact CB-CD1 4.08Å; L139-Y276 HydrophobicContact CB-CE1 4.3Å; L139-Y276 HydrophobicContact CB-CG 4.47Å; L139-Y276 HydrophobicContact CD1-CD1 4.22Å; L139-Y276 HydrophobicContact CD1-CD2 3.76Å; L139-Y276 HydrophobicContact CD1-CE1 4.3Å; L139-Y276 HydrophobicContact CD1-CE2 3.84Å; L139-Y276 HydrophobicContact CD1-CG 3.96Å |
| 140 | V | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -77.9 | -47.7 | -177.6 | -179.5 | 0 | 0 | 0 | 0 | 112.4 | D136 D138 Q145 Y200 F202 E203 Y276 | D136-V140 WeakPolarHBondContact O-CG2 3.37Å; D136-V140 PolarHBondContact O-N 2.98Å; D136-V140 VanDerWaalsContact O-N 3.09Å; D138-V140 VanDerWaalsContact C-N 3.33Å; D138-V140 PolarHBondContact O-N 3.13Å; V140-Q145 WeakPolarHBondContact CA-O 3.41Å; V140-Y200 HydrophobicContact CB-CD2 3.94Å; V140-Y200 HydrophobicContact CB-CE2 4.48Å; V140-Y200 HydrophobicContact CG1-CD2 3.79Å; V140-Y200 HydrophobicContact CG1-CG 4.35Å; V140-Y200 HydrophobicContact CG2-CD2 4.42Å; V140-F202 HydrophobicContact CG1-CB 4.26Å; V140-F202 HydrophobicContact CG1-CD1 4.36Å; V140-E203 HydrophobicContact CG1-CG 3.74Å; V140-Y276 HydrophobicContact CG2-CD1 4.44Å; V140-Y276 HydrophobicContact CG2-CE1 4Å |
| 141 | T | 94.6 | Very high | 96.8 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -88.4 | -37.6 | -168.5 | 72.2 | 0 | 0 | 0 | 0 | 113.8 | W137 K144 Y200 | W137-T141 VanDerWaalsContact CE2-OG1 3.29Å; W137-T141 HydrophobicContact CG-CG2 4.35Å; W137-T141 VanDerWaalsContact O-CB 3.28Å; W137-T141 WeakPolarHBondContact O-CB 3.04Å; W137-T141 WeakPolarHBondContact O-CG2 3.15Å; W137-T141 PolarHBondContact O-N 3.09Å; W137-T141 PolarHBondContact O-OG1 2.96Å; T141-K144 WeakPolarHBondContact O-CE 3.31Å; T141-K144 PolarHBondContact O-NZ 3.46Å; T141-Y200 HydrophobicContact CG2-CD1 4.11Å; T141-Y200 HydrophobicContact CG2-CD2 4.23Å; T141-Y200 HydrophobicContact CG2-CG 3.96Å |
| 142 | R | 94.7 | Very high | 96.7 | Very high | 171 Ų | 171 | 57.4 Ų | 57.4 | 65% | 0.645 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -51 | -179.7 | -71.9 | -175.3 | 54.2 | -131.4 | 3.3 | 111.9 | W137 D138 K144 | W137-R142 HydrophobicContact CH2-CG 4.39Å; W137-R142 HydrophobicContact CZ3-CG 4.41Å; D138-R142 WeakPolarHBondContact O-CA 3.49Å; D138-R142 WeakPolarHBondContact O-CB 3.33Å; D138-R142 PolarHBondContact O-N 2.97Å; D138-R142 WeakPolarHBondContact OD1-CB 3.26Å; D138-R142 WeakPolarHBondContact OD1-CD 3.42Å; D138-R142 IonicContact OD1-CZ 2.63Å; D138-R142 IonicContact OD1-NE 2.7Å; D138-R142 IonicContact OD1-NH1 3.54Å; D138-R142 PolarHBondContact OD1-NH1 3.43Å; D138-R142 IonicContact OD2-NH1 3.37Å; R142-K144 VanDerWaalsContact C-N 3.33Å; R142-K144 PolarHBondContact O-N 3.13Å |
| 143 | Q | 95.6 | Very high | 96.7 | Very high | 90 Ų | 90 | 57.2 Ų | 57.2 | 42% | 0.421 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -82.5 | -6.6 | -175.2 | -52.6 | -174.2 | 26.6 | 0 | 0 | 114.5 | D138 L139 Q145 | D138-Q143 PolarHBondContact O-N 2.65Å; D138-Q143 PolarHBondContact OD2-NE2 2.77Å; L139-Q143 CarbonylContact O-C 3.49Å; L139-Q143 WeakPolarHBondContact O-CB 3.42Å; Q143-Q145 HydrophobicContact CB-CG 3.99Å; Q143-Q145 PolarHBondContact O-N 2.97Å |
| 144 | K | 95.6 | Very high | 96.7 | Very high | 81 Ų | 81 | 57.6 Ų | 57.6 | 35% | 0.352 | 27% | 0.273 | S | S | . | . | trans | 56.4 | 35.8 | 179.2 | -50.8 | -53.3 | -175.6 | -168.7 | 0 | 113.6 | L139 T141 R142 F202 A279 H284 | L139-K144 PolarHBondContact O-N 2.6Å; T141-K144 WeakPolarHBondContact O-CE 3.31Å; T141-K144 PolarHBondContact O-NZ 3.46Å; R142-K144 VanDerWaalsContact C-N 3.33Å; R142-K144 PolarHBondContact O-N 3.13Å; K144-F202 HydrophobicContact CB-CE1 3.91Å; K144-F202 HydrophobicContact CB-CE2 4.44Å; K144-F202 HydrophobicContact CB-CZ 3.74Å; K144-F202 HydrophobicContact CD-CD2 4.21Å; K144-F202 HydrophobicContact CD-CE1 4.37Å; K144-F202 HydrophobicContact CD-CE2 4.04Å; K144-F202 HydrophobicContact CD-CG 4.46Å; K144-F202 HydrophobicContact CD-CZ 4.12Å; K144-F202 HydrophobicContact CG-CZ 4.39Å; K144-F202 WeakPolarHBondContact O-CE1 3.36Å; K144-A279 WeakPolarHBondContact O-CB 3.43Å; K144-A279 PolarHBondContact O-N 3.38Å; K144-H284 VanDerWaalsContact CB-NE2 3.31Å; K144-H284 WeakPolarHBondContact CB-NE2 3.46Å | ||
| 145 | Q | 97.1 | Very high | 96.8 | Very high | 31 Ų | 31 | 53 Ų | 53 | 15% | 0.145 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 156.4 | 169.9 | -49.4 | -156.2 | 43.9 | 0 | 0 | 110.5 | L139 V140 Q143 K277 V278 | L139-Q145 HydrophobicContact CD2-CG 4.43Å; L139-Q145 WeakPolarHBondContact O-CB 3.3Å; L139-Q145 PolarHBondContact O-N 3.01Å; V140-Q145 WeakPolarHBondContact CA-O 3.41Å; Q143-Q145 HydrophobicContact CB-CG 3.99Å; Q143-Q145 PolarHBondContact O-N 2.97Å; Q145-K277 CarbonylContact C-O 3.59Å; Q145-K277 VanDerWaalsContact CA-O 3.24Å; Q145-K277 WeakPolarHBondContact CA-O 3.43Å; Q145-V278 HydrophobicContact CG-CG2 4.23Å |
| 146 | L | 97.4 | Very high | 96.8 | Very high | 17 Ų | 17 | 50.3 Ų | 50.3 | 9% | 0.089 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 142.8 | 173.5 | -63.7 | 167.6 | 0 | 0 | 0 | 108.8 | F202 E203 Y276 K277 A279 Y283 | L146-F202 HydrophobicContact CD2-CD1 3.77Å; L146-F202 HydrophobicContact CD2-CE1 3.87Å; L146-F202 HydrophobicContact CG-CD1 4.48Å; L146-F202 HydrophobicContact CG-CE1 4.1Å; L146-E203 HydrophobicContact CD2-CG 4.21Å; L146-Y276 CarbonylContact O-C 3.48Å; L146-Y276 VanDerWaalsContact O-CA 3.29Å; L146-Y276 WeakPolarHBondContact O-CA 3.43Å; L146-K277 PolarHBondContact N-O 2.91Å; L146-K277 PolarHBondContact O-N 2.63Å; L146-A279 HydrophobicContact CD1-CB 3.84Å; L146-A279 HydrophobicContact CG-CB 4.11Å; L146-Y283 HydrophobicContact CD1-CD1 3.82Å; L146-Y283 HydrophobicContact CD1-CD2 3.8Å; L146-Y283 HydrophobicContact CD1-CE1 3.6Å; L146-Y283 HydrophobicContact CD1-CE2 3.56Å; L146-Y283 HydrophobicContact CD1-CG 3.92Å; L146-Y283 VanDerWaalsContact CD1-CZ 3.46Å; L146-Y283 HydrophobicContact CD2-CE1 3.92Å; L146-Y283 HydrophobicContact CG-CE1 4.22Å |
| 147 | F | 97.8 | Very high | 96.8 | Very high | 11 Ų | 11 | 51.7 Ų | 51.7 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 140.5 | 169.5 | -168.9 | -95.6 | 0 | 0 | 0 | 110 | L149 A151 Q206 P226 H227 D275 Y276 | F147-L149 HydrophobicContact CD1-CD2 3.78Å; F147-L149 HydrophobicContact CD1-CG 4.47Å; F147-L149 HydrophobicContact CE1-CD2 4.31Å; F147-L149 PolarHBondContact O-N 3.05Å; F147-A151 HydrophobicContact CE1-CB 3.8Å; F147-A151 HydrophobicContact CZ-CB 4.47Å; F147-Q206 PolarHBondContact O-NE2 3.47Å; F147-P226 HydrophobicContact CD2-CG 3.93Å; F147-P226 HydrophobicContact CE2-CG 3.68Å; F147-P226 HydrophobicContact CZ-CG 4.46Å; F147-H227 AromaticContact CG-CE1 3.92Å; F147-D275 CarbonylContact C-O 3.46Å; F147-D275 HydrophobicContact CD2-CB 4.16Å; F147-D275 HydrophobicContact CE2-CB 3.55Å; F147-D275 HydrophobicContact CZ-CB 4.05Å; F147-Y276 HydrophobicContact CB-CD1 4.26Å; F147-Y276 HydrophobicContact CB-CE1 4.06Å; F147-Y276 HydrophobicContact CD2-CD2 4.24Å; F147-Y276 HydrophobicContact CD2-CE1 4.11Å; F147-Y276 AromaticContact CD2-CE2 3.83Å; F147-Y276 HydrophobicContact CD2-CE2 3.83Å; F147-Y276 AromaticContact CD2-CZ 3.76Å; F147-Y276 HydrophobicContact CE2-CE2 4.37Å |
| 148 | Q | 96.9 | Very high | 96.9 | Very high | 57 Ų | 57 | 46.1 Ų | 46.1 | 27% | 0.266 | 23% | 0.225 | S | C | . | . | trans | -72.1 | 118.2 | 178.8 | -71.2 | -162.1 | -107.1 | 0 | 0 | 110.9 | D275 K277 | Q148-D275 WeakPolarHBondContact CB-O 3.43Å; Q148-D275 WeakPolarHBondContact CG-O 3.36Å; Q148-D275 PolarHBondContact N-O 2.91Å; Q148-K277 VanDerWaalsContact CD-CE 3.42Å; Q148-K277 HydrophobicContact CG-CD 3.92Å; Q148-K277 HydrophobicContact CG-CG 3.99Å | ||
| 149 | L | 96.8 | Very high | 96.9 | Very high | 34 Ų | 34 | 44.9 Ų | 44.9 | 18% | 0.178 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -116.1 | 143.7 | 176 | -59.1 | 176.3 | 0 | 0 | 0 | 110.7 | F147 Q206 I210 I222 Y223 | F147-L149 HydrophobicContact CD1-CD2 3.78Å; F147-L149 HydrophobicContact CD1-CG 4.47Å; F147-L149 HydrophobicContact CE1-CD2 4.31Å; F147-L149 PolarHBondContact O-N 3.05Å; L149-Q206 HydrophobicContact CD1-CG 4Å; L149-I210 HydrophobicContact CB-CD1 3.98Å; L149-I210 HydrophobicContact CD1-CD1 4.29Å; L149-I210 HydrophobicContact CD1-CG1 3.93Å; L149-I222 HydrophobicContact CB-CG2 4.34Å; L149-I222 HydrophobicContact CD2-CG2 4.37Å; L149-I222 WeakPolarHBondContact CD2-O 3.18Å; L149-Y223 HydrophobicContact CD1-CD1 4.07Å; L149-Y223 HydrophobicContact CD1-CE1 3.45Å; L149-Y223 VanDerWaalsContact CD1-CE1 3.45Å; L149-Y223 HydrophobicContact CD1-CE2 4.1Å; L149-Y223 VanDerWaalsContact CD1-CZ 3.46Å; L149-Y223 HydrophobicContact CD2-CD1 3.73Å; L149-Y223 HydrophobicContact CD2-CE1 4.01Å; L149-Y223 HydrophobicContact CD2-CG 4.04Å; L149-Y223 HydrophobicContact CG-CE1 4.36Å |
| 150 | P | 96.7 | Very high | 96.8 | Very high | 77 Ų | 77 | 50.4 Ų | 50.4 | 50% | 0.5 | 24% | 0.244 | S | C | . | . | S | Bend | cis | -63.1 | 147.7 | -8.4 | -21.2 | 34.4 | 0 | 0 | 0 | 113.1 | ||
| 151 | A | 97.2 | Very high | 96.8 | Very high | 13 Ų | 13 | 54 Ų | 54 | 11% | 0.107 | 26% | 0.261 | C | S | . | . | trans | -65.8 | 136.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F147 K153 N154 I222 | F147-A151 HydrophobicContact CE1-CB 3.8Å; F147-A151 HydrophobicContact CZ-CB 4.47Å; A151-K153 PolarHBondContact O-N 3.3Å; A151-N154 HydrophobicContact CB-CB 4.38Å; A151-I222 WeakPolarHBondContact CB-O 3.45Å; A151-I222 PolarHBondContact N-O 3.2Å | ||
| 152 | K | 94.9 | Very high | 96.8 | Very high | 153 Ų | 153 | 52.6 Ų | 52.6 | 67% | 0.665 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -57.8 | -37.5 | 174.8 | -62.6 | 173 | -171.7 | 159.7 | 0 | 112.4 | D275 | K152-D275 WeakPolarHBondContact CE-OD1 3.47Å; K152-D275 IonicContact NZ-OD1 2.65Å; K152-D275 PolarHBondContact NZ-OD1 3.28Å |
| 153 | K | 96.6 | Very high | 96.7 | Very high | 66 Ų | 66 | 44.8 Ų | 44.8 | 29% | 0.287 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -129.9 | 104.1 | 173 | -171.3 | 173.2 | -178.1 | 176.2 | 0 | 107.4 | A151 A157 I158 E161 L270 | A151-K153 PolarHBondContact O-N 3.3Å; K153-A157 HydrophobicContact CG-CB 4.5Å; K153-I158 HydrophobicContact CD-CG1 4.27Å; K153-I158 HydrophobicContact CG-CG1 3.97Å; K153-E161 VanDerWaalsContact CE-OE2 3.3Å; K153-E161 WeakPolarHBondContact CE-OE2 3.28Å; K153-E161 IonicContact NZ-OE1 2.64Å; K153-E161 IonicContact NZ-OE2 2.76Å; K153-E161 PolarHBondContact NZ-OE2 3.34Å; K153-L270 HydrophobicContact CD-CD2 3.93Å |
| 154 | N | 97.9 | Very high | 96.6 | Very high | 39 Ų | 39 | 44.3 Ų | 44.3 | 21% | 0.209 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -84.3 | 169.1 | -174.8 | 64.7 | 15.1 | 0 | 0 | 0 | 112.3 | A151 D156 A157 I158 Q221 Y223 | A151-N154 HydrophobicContact CB-CB 4.38Å; N154-D156 VanDerWaalsContact C-N 3.29Å; N154-D156 PolarHBondContact O-N 3.46Å; N154-A157 PolarHBondContact O-N 3.43Å; N154-A157 VanDerWaalsContact OD1-CB 3.31Å; N154-A157 WeakPolarHBondContact OD1-CB 3.28Å; N154-A157 PolarHBondContact OD1-N 3.27Å; N154-I158 VanDerWaalsContact O-CG1 3.3Å; N154-I158 WeakPolarHBondContact O-CG1 3.33Å; N154-I158 PolarHBondContact O-N 2.93Å; N154-I158 VanDerWaalsContact O-N 3.13Å; N154-Q221 VanDerWaalsContact CB-O 3.28Å; N154-Q221 WeakPolarHBondContact CB-O 3.23Å; N154-Q221 WeakPolarHBondContact ND2-CA 3.29Å; N154-Q221 PolarHBondContact ND2-O 3.33Å; N154-Y223 CarbonylContact C-O 3.52Å; N154-Y223 WeakPolarHBondContact CA-O 3.31Å; N154-Y223 WeakPolarHBondContact CB-O 3.27Å |
| 155 | V | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.4 | -40.7 | 179.4 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | A157 I158 L159 F190 S220 Y223 L228 | V155-A157 PolarHBondContact O-N 3.42Å; V155-I158 PolarHBondContact O-N 2.87Å; V155-L159 HydrophobicContact CG1-CD1 3.65Å; V155-L159 HydrophobicContact CG1-CG 4.08Å; V155-L159 WeakPolarHBondContact O-CB 3.37Å; V155-L159 VanDerWaalsContact O-CG 3.31Å; V155-L159 WeakPolarHBondContact O-CG 3.45Å; V155-L159 PolarHBondContact O-N 3.08Å; V155-F190 HydrophobicContact CB-CD1 4.43Å; V155-F190 HydrophobicContact CB-CE1 4.32Å; V155-F190 HydrophobicContact CG1-CD1 4.28Å; V155-F190 HydrophobicContact CG1-CG 4.41Å; V155-F190 HydrophobicContact CG2-CD1 4.18Å; V155-F190 HydrophobicContact CG2-CE1 3.7Å; V155-F190 HydrophobicContact CG2-CE2 4.16Å; V155-F190 HydrophobicContact CG2-CZ 3.68Å; V155-S220 WeakPolarHBondContact CB-O 3.24Å; V155-S220 PolarHBondContact N-O 3.43Å; V155-S220 VanDerWaalsContact N-O 3.09Å; V155-Y223 PolarHBondContact N-O 2.98Å; V155-L228 HydrophobicContact CG1-CD1 3.84Å; V155-L228 HydrophobicContact CG1-CD2 4Å; V155-L228 HydrophobicContact CG1-CG 4.39Å; V155-L228 HydrophobicContact CG2-CB 3.85Å; V155-L228 HydrophobicContact CG2-CD1 4.42Å; V155-L228 HydrophobicContact CG2-CD2 4.26Å; V155-L228 HydrophobicContact CG2-CG 4.4Å |
| 156 | D | 98.1 | Very high | 95.8 | Very high | 26 Ų | 26 | 42.6 Ų | 42.6 | 14% | 0.139 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.6 | -48.8 | 177.1 | -91.1 | 31.8 | 0 | 0 | 0 | 112.2 | N154 L159 E160 K187 S220 Q221 | N154-D156 VanDerWaalsContact C-N 3.29Å; N154-D156 PolarHBondContact O-N 3.46Å; D156-L159 PolarHBondContact O-N 3.3Å; D156-E160 WeakPolarHBondContact O-CB 3.19Å; D156-E160 PolarHBondContact O-N 2.87Å; D156-K187 WeakPolarHBondContact OD1-CD 3.37Å; D156-K187 WeakPolarHBondContact OD1-CE 3.28Å; D156-K187 IonicContact OD1-NZ 3.65Å; D156-K187 PolarHBondContact OD1-NZ 3.47Å; D156-K187 VanDerWaalsContact OD1-NZ 3.13Å; D156-K187 IonicContact OD2-NZ 2.72Å; D156-K187 PolarHBondContact OD2-NZ 2.89Å; D156-S220 PolarHBondContact N-O 3.02Å; D156-S220 WeakPolarHBondContact OD1-CB 3.48Å; D156-S220 PolarHBondContact OD1-OG 2.93Å; D156-Q221 HydrophobicContact CB-CG 4.34Å |
| 157 | A | 97.9 | Very high | 95.2 | Very high | 35 Ų | 35 | 45.7 Ų | 45.7 | 29% | 0.289 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.6 | -36.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | K153 N154 V155 E161 | K153-A157 HydrophobicContact CG-CB 4.5Å; N154-A157 PolarHBondContact O-N 3.43Å; N154-A157 VanDerWaalsContact OD1-CB 3.31Å; N154-A157 WeakPolarHBondContact OD1-CB 3.28Å; N154-A157 PolarHBondContact OD1-N 3.27Å; V155-A157 PolarHBondContact O-N 3.42Å; A157-E161 WeakPolarHBondContact O-CB 3.32Å; A157-E161 PolarHBondContact O-N 3.14Å |
| 158 | I | 98 | Very high | 94.3 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 177 | -64 | 163.2 | 0 | 0 | 0 | 110.7 | K153 N154 V155 Y162 A225 L228 F259 Y262 L263 L270 | K153-I158 HydrophobicContact CD-CG1 4.27Å; K153-I158 HydrophobicContact CG-CG1 3.97Å; N154-I158 VanDerWaalsContact O-CG1 3.3Å; N154-I158 WeakPolarHBondContact O-CG1 3.33Å; N154-I158 PolarHBondContact O-N 2.93Å; N154-I158 VanDerWaalsContact O-N 3.13Å; V155-I158 PolarHBondContact O-N 2.87Å; I158-Y162 PolarHBondContact O-N 3.39Å; I158-Y162 VanDerWaalsContact O-N 3.09Å; I158-A225 HydrophobicContact CD1-CB 3.7Å; I158-L228 HydrophobicContact CG2-CD2 4.1Å; I158-F259 HydrophobicContact CG2-CZ 4.2Å; I158-Y262 HydrophobicContact CG2-CE1 4.2Å; I158-L263 HydrophobicContact CG2-CD2 3.93Å; I158-L270 HydrophobicContact CD1-CD2 4.11Å; I158-L270 HydrophobicContact CG1-CD2 3.93Å |
| 159 | L | 97.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69 | -41 | 178.7 | -73.4 | 175.7 | 0 | 0 | 0 | 112.1 | V155 D156 Y162 A163 V183 I186 K187 F259 | V155-L159 HydrophobicContact CG1-CD1 3.65Å; V155-L159 HydrophobicContact CG1-CG 4.08Å; V155-L159 WeakPolarHBondContact O-CB 3.37Å; V155-L159 VanDerWaalsContact O-CG 3.31Å; V155-L159 WeakPolarHBondContact O-CG 3.45Å; V155-L159 PolarHBondContact O-N 3.08Å; D156-L159 PolarHBondContact O-N 3.3Å; L159-Y162 PolarHBondContact O-N 3.47Å; L159-A163 PolarHBondContact O-N 2.97Å; L159-V183 HydrophobicContact CB-CG1 3.87Å; L159-V183 HydrophobicContact CD2-CG1 4.47Å; L159-V183 HydrophobicContact CD2-CG2 4.36Å; L159-I186 HydrophobicContact CD1-CG2 4.36Å; L159-I186 HydrophobicContact CD2-CB 4.2Å; L159-I186 HydrophobicContact CD2-CD1 4.44Å; L159-I186 HydrophobicContact CD2-CG2 3.84Å; L159-K187 HydrophobicContact CD1-CB 3.83Å; L159-K187 HydrophobicContact CD1-CG 4.44Å; L159-F259 HydrophobicContact CD2-CE2 3.81Å; L159-F259 HydrophobicContact CD2-CZ 3.75Å |
| 160 | E | 96.3 | Very high | 91.5 | Very high | 124 Ų | 124 | 53 Ų | 53 | 58% | 0.579 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.8 | -44.9 | 174.7 | 179.6 | 172 | -152.1 | 0 | 0 | 111.9 | D156 Y162 A163 N164 | D156-E160 WeakPolarHBondContact O-CB 3.19Å; D156-E160 PolarHBondContact O-N 2.87Å; E160-Y162 VanDerWaalsContact C-N 3.33Å; E160-Y162 PolarHBondContact O-N 3.13Å; E160-A163 PolarHBondContact O-N 3.35Å; E160-N164 WeakPolarHBondContact O-CB 3.37Å; E160-N164 VanDerWaalsContact O-CG 3.29Å; E160-N164 PolarHBondContact O-N 3.09Å; E160-N164 PolarHBondContact O-ND2 3.36Å |
| 161 | E | 95.9 | Very high | 89.6 | Confident | 75 Ų | 75 | 56.6 Ų | 56.6 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 176.9 | -168.4 | -170.8 | 124.6 | 0 | 0 | 111.8 | K153 A157 N164 C165 Y262 | K153-E161 VanDerWaalsContact CE-OE2 3.3Å; K153-E161 WeakPolarHBondContact CE-OE2 3.28Å; K153-E161 IonicContact NZ-OE1 2.64Å; K153-E161 IonicContact NZ-OE2 2.76Å; K153-E161 PolarHBondContact NZ-OE2 3.34Å; A157-E161 WeakPolarHBondContact O-CB 3.32Å; A157-E161 PolarHBondContact O-N 3.14Å; E161-N164 PolarHBondContact O-N 3.39Å; E161-C165 VanDerWaalsContact O-CB 3.26Å; E161-C165 WeakPolarHBondContact O-CB 3.3Å; E161-C165 PolarHBondContact O-N 3.02Å; E161-Y262 PolarHBondContact OE1-OH 3.27Å |
| 162 | Y | 95.2 | Very high | 88 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 173 | 169.1 | -102.3 | 0 | 0 | 0 | 112.3 | I158 L159 E160 N164 C165 K166 V179 V183 D258 F259 Y262 | I158-Y162 PolarHBondContact O-N 3.39Å; I158-Y162 VanDerWaalsContact O-N 3.09Å; L159-Y162 PolarHBondContact O-N 3.47Å; E160-Y162 VanDerWaalsContact C-N 3.33Å; E160-Y162 PolarHBondContact O-N 3.13Å; Y162-N164 VanDerWaalsContact C-N 3.34Å; Y162-N164 PolarHBondContact O-N 2.92Å; Y162-C165 WeakPolarHBondContact O-CB 3.4Å; Y162-C165 PolarHBondContact O-N 2.95Å; Y162-K166 HydrophobicContact CD2-CG 4.49Å; Y162-K166 HydrophobicContact CE1-CG 4.35Å; Y162-K166 HydrophobicContact CE2-CD 4.36Å; Y162-K166 HydrophobicContact CE2-CG 4.06Å; Y162-K166 PolarHBondContact O-N 3.48Å; Y162-V179 HydrophobicContact CD1-CG1 4.45Å; Y162-V179 HydrophobicContact CE1-CG1 3.99Å; Y162-V183 HydrophobicContact CD1-CG2 3.78Å; Y162-V183 HydrophobicContact CE1-CG2 4.11Å; Y162-D258 WeakPolarHBondContact CE2-OD2 3.37Å; Y162-D258 PolarHBondContact OH-OD2 2.83Å; Y162-D258 VanDerWaalsContact OH-OD2 3.05Å; Y162-F259 AromaticContact CD1-CD2 3.58Å; Y162-F259 HydrophobicContact CD1-CD2 3.58Å; Y162-F259 HydrophobicContact CD1-CE2 4.06Å; Y162-F259 AromaticContact CD2-CD2 3.66Å; Y162-F259 HydrophobicContact CD2-CD2 3.66Å; Y162-F259 HydrophobicContact CD2-CE2 4.28Å; Y162-F259 HydrophobicContact CE1-CB 4.47Å; Y162-F259 AromaticContact CE1-CD2 3.87Å; Y162-F259 HydrophobicContact CE1-CD2 3.87Å; Y162-F259 HydrophobicContact CE2-CB 4.21Å; Y162-F259 AromaticContact CE2-CD2 3.94Å; Y162-F259 HydrophobicContact CE2-CD2 3.94Å; Y162-F259 AromaticContact CG-CD2 3.46Å; Y162-F259 HydrophobicContact CG-CD2 3.46Å; Y162-F259 VanDerWaalsContact CG-CD2 3.46Å; Y162-F259 AromaticContact CG-CE2 3.79Å; Y162-F259 HydrophobicContact CG-CE2 3.79Å; Y162-Y262 AromaticContact CD2-CD1 3.89Å; Y162-Y262 HydrophobicContact CD2-CD1 3.89Å; Y162-Y262 HydrophobicContact CD2-CD2 4.2Å; Y162-Y262 AromaticContact CD2-CG 3.65Å; Y162-Y262 HydrophobicContact CD2-CG 3.65Å; Y162-Y262 HydrophobicContact CE2-CG 4.5Å; Y162-Y262 HydrophobicContact CG-CD1 4.34Å; Y162-Y262 HydrophobicContact CG-CG 4.48Å |
| 163 | A | 93.6 | Very high | 86.8 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 5% | 0.05 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.1 | -48 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L159 E160 C165 K166 K167 V179 V183 | L159-A163 PolarHBondContact O-N 2.97Å; E160-A163 PolarHBondContact O-N 3.35Å; A163-C165 PolarHBondContact O-N 3.35Å; A163-K166 WeakPolarHBondContact O-CB 3.45Å; A163-K166 PolarHBondContact O-N 2.86Å; A163-K167 WeakPolarHBondContact O-CG 3.4Å; A163-K167 PolarHBondContact O-N 3.09Å; A163-V179 HydrophobicContact CB-CG1 4.33Å; A163-V183 HydrophobicContact CB-CG2 4.46Å |
| 164 | N | 92.4 | Very high | 85.8 | Confident | 81 Ų | 81 | 62.2 Ų | 62.2 | 43% | 0.433 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 178.3 | -69.8 | -26.4 | 0 | 0 | 0 | 112.7 | E160 E161 Y162 K166 K167 S168 | E160-N164 WeakPolarHBondContact O-CB 3.37Å; E160-N164 VanDerWaalsContact O-CG 3.29Å; E160-N164 PolarHBondContact O-N 3.09Å; E160-N164 PolarHBondContact O-ND2 3.36Å; E161-N164 PolarHBondContact O-N 3.39Å; Y162-N164 VanDerWaalsContact C-N 3.34Å; Y162-N164 PolarHBondContact O-N 2.92Å; N164-K166 VanDerWaalsContact C-N 3.27Å; N164-K166 PolarHBondContact O-N 2.93Å; N164-K167 PolarHBondContact O-N 3.27Å; N164-S168 PolarHBondContact O-N 3.46Å; N164-S168 VanDerWaalsContact O-N 3.16Å; N164-S168 PolarHBondContact O-OG 3.28Å |
| 165 | C | 88.8 | Confident | 85 | Confident | 42 Ų | 42 | 65 Ų | 65 | 28% | 0.284 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.9 | -33.7 | 171.7 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | E161 Y162 A163 S168 Q169 | E161-C165 VanDerWaalsContact O-CB 3.26Å; E161-C165 WeakPolarHBondContact O-CB 3.3Å; E161-C165 PolarHBondContact O-N 3.02Å; Y162-C165 WeakPolarHBondContact O-CB 3.4Å; Y162-C165 PolarHBondContact O-N 2.95Å; A163-C165 PolarHBondContact O-N 3.35Å; C165-S168 PolarHBondContact O-OG 3.03Å; C165-Q169 WeakPolarHBondContact O-CB 3.4Å; C165-Q169 VanDerWaalsContact O-CG 3.31Å; C165-Q169 WeakPolarHBondContact O-CG 3.49Å; C165-Q169 PolarHBondContact O-N 3.13Å |
| 166 | K | 87.8 | Confident | 84.4 | Confident | 33 Ų | 33 | 68.5 Ų | 68.5 | 14% | 0.143 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -75.7 | -37.1 | 175.4 | -66.2 | -53.2 | -176.6 | 177.5 | 0 | 113.9 | Y162 A163 N164 S168 Q169 V179 D258 | Y162-K166 HydrophobicContact CD2-CG 4.49Å; Y162-K166 HydrophobicContact CE1-CG 4.35Å; Y162-K166 HydrophobicContact CE2-CD 4.36Å; Y162-K166 HydrophobicContact CE2-CG 4.06Å; Y162-K166 PolarHBondContact O-N 3.48Å; A163-K166 WeakPolarHBondContact O-CB 3.45Å; A163-K166 PolarHBondContact O-N 2.86Å; N164-K166 VanDerWaalsContact C-N 3.27Å; N164-K166 PolarHBondContact O-N 2.93Å; K166-S168 VanDerWaalsContact C-N 3.31Å; K166-S168 PolarHBondContact O-N 3.49Å; K166-Q169 PolarHBondContact O-N 3.3Å; K166-Q169 VanDerWaalsContact O-N 3.15Å; K166-V179 HydrophobicContact CB-CG1 4.12Å; K166-V179 HydrophobicContact CB-CG2 4.17Å; K166-V179 HydrophobicContact CG-CG1 4.24Å; K166-V179 HydrophobicContact CG-CG2 4.24Å; K166-D258 WeakPolarHBondContact CE-OD2 3.37Å; K166-D258 IonicContact NZ-OD1 3.77Å; K166-D258 PolarHBondContact NZ-OD1 3.26Å; K166-D258 IonicContact NZ-OD2 2.96Å; K166-D258 PolarHBondContact NZ-OD2 2.91Å |
| 167 | K | 83.9 | Confident | 84 | Confident | 82 Ų | 82 | 74.3 Ų | 74.3 | 36% | 0.357 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 173.6 | -61.6 | 180 | -162.7 | -149.6 | 0 | 111.4 | A163 N164 Q169 E176 | A163-K167 WeakPolarHBondContact O-CG 3.4Å; A163-K167 PolarHBondContact O-N 3.09Å; N164-K167 PolarHBondContact O-N 3.27Å; K167-Q169 VanDerWaalsContact C-N 3.29Å; K167-Q169 PolarHBondContact O-N 2.95Å; K167-E176 HydrophobicContact CD-CG 4.38Å; K167-E176 WeakPolarHBondContact CD-OE1 3.44Å; K167-E176 WeakPolarHBondContact CE-OE1 3.5Å; K167-E176 HydrophobicContact CG-CG 4.13Å; K167-E176 IonicContact NZ-OE1 2.66Å; K167-E176 PolarHBondContact NZ-OE1 2.89Å |
| 168 | S | 79.5 | Confident | 83.6 | Confident | 101 Ų | 101 | 73.7 Ų | 73.7 | 71% | 0.706 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -72.5 | -17.2 | 177.5 | 67.1 | 0 | 0 | 0 | 0 | 114.6 | N164 C165 K166 | N164-S168 PolarHBondContact O-N 3.46Å; N164-S168 VanDerWaalsContact O-N 3.16Å; N164-S168 PolarHBondContact O-OG 3.28Å; C165-S168 PolarHBondContact O-OG 3.03Å; K166-S168 VanDerWaalsContact C-N 3.31Å; K166-S168 PolarHBondContact O-N 3.49Å |
| 169 | Q | 73.5 | Confident | 83.4 | Confident | 121 Ų | 121 | 73.8 Ų | 73.8 | 57% | 0.565 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -4.1 | -178.1 | -80.8 | -173.2 | -14.2 | 0 | 0 | 115.4 | C165 K166 K167 | C165-Q169 WeakPolarHBondContact O-CB 3.4Å; C165-Q169 VanDerWaalsContact O-CG 3.31Å; C165-Q169 WeakPolarHBondContact O-CG 3.49Å; C165-Q169 PolarHBondContact O-N 3.13Å; K166-Q169 PolarHBondContact O-N 3.3Å; K166-Q169 VanDerWaalsContact O-N 3.15Å; K167-Q169 VanDerWaalsContact C-N 3.29Å; K167-Q169 PolarHBondContact O-N 2.95Å |
| 170 | G | 61.3 | Low | 83.2 | Confident | 34 Ų | 34 | 76.7 Ų | 76.7 | 35% | 0.351 | 40% | 0.403 | S | S | . | . | trans | 175.5 | 123.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115 | V172 | G170-V172 PolarHBondContact O-N 2.97Å; G170-V172 VanDerWaalsContact O-N 3.13Å | ||
| 171 | N | 56.4 | Low | 83.1 | Confident | 153 Ų | 153 | 76 Ų | 76 | 82% | 0.818 | 40% | 0.4 | S | S | * | . | trans | -83.2 | 81.2 | -177.6 | -171.6 | 12.2 | 0 | 0 | 0 | 111.9 | ||||
| 172 | V | 64.5 | Low | 83 | Confident | 93 Ų | 93 | 73.3 Ų | 73.3 | 56% | 0.564 | 39% | 0.388 | S | S | * | . | trans | -143.2 | 107.3 | 169.4 | -170.1 | 0 | 0 | 0 | 0 | 108.6 | G170 N174 K175 E176 | G170-V172 PolarHBondContact O-N 2.97Å; G170-V172 VanDerWaalsContact O-N 3.13Å; V172-N174 VanDerWaalsContact C-N 3.27Å; V172-N174 PolarHBondContact O-N 3.36Å; V172-N174 VanDerWaalsContact O-N 3.13Å; V172-K175 HydrophobicContact CB-CB 4.46Å; V172-K175 WeakPolarHBondContact O-CB 3.49Å; V172-K175 PolarHBondContact O-N 3.11Å; V172-E176 PolarHBondContact O-N 2.81Å | ||
| 173 | D | 69 | Low | 83 | Confident | 117 Ų | 117 | 74 Ų | 74 | 63% | 0.626 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -53.7 | -39.5 | -170.3 | -53.5 | -52.9 | 0 | 0 | 0 | 113.6 | K175 E176 Y177 | D173-K175 PolarHBondContact O-N 3.14Å; D173-E176 PolarHBondContact O-N 3.17Å; D173-E176 VanDerWaalsContact O-N 3.07Å; D173-Y177 PolarHBondContact O-N 3.01Å |
| 174 | N | 76.3 | Confident | 83.2 | Confident | 139 Ų | 139 | 75.4 Ų | 75.4 | 74% | 0.743 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58.5 | -29.8 | 177 | -71.5 | -1 | 0 | 0 | 0 | 113.4 | V172 A178 | V172-N174 VanDerWaalsContact C-N 3.27Å; V172-N174 PolarHBondContact O-N 3.36Å; V172-N174 VanDerWaalsContact O-N 3.13Å; N174-A178 PolarHBondContact O-N 3.35Å |
| 175 | K | 81.1 | Confident | 83.3 | Confident | 98 Ų | 98 | 72.8 Ų | 72.8 | 43% | 0.426 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -79.8 | -35 | 177.5 | -170.5 | 179.7 | 179.6 | -176.9 | 0 | 111.4 | V172 D173 V179 | V172-K175 HydrophobicContact CB-CB 4.46Å; V172-K175 WeakPolarHBondContact O-CB 3.49Å; V172-K175 PolarHBondContact O-N 3.11Å; D173-K175 PolarHBondContact O-N 3.14Å; K175-V179 VanDerWaalsContact O-CG2 3.3Å; K175-V179 WeakPolarHBondContact O-CG2 3.38Å; K175-V179 PolarHBondContact O-N 2.92Å |
| 176 | E | 86.2 | Confident | 83.7 | Confident | 73 Ų | 73 | 70.9 Ų | 70.9 | 34% | 0.341 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.6 | -46.7 | 172.9 | 176 | 169.4 | 169.4 | 0 | 0 | 110.8 | K167 V172 D173 A178 V179 N180 | K167-E176 HydrophobicContact CD-CG 4.38Å; K167-E176 WeakPolarHBondContact CD-OE1 3.44Å; K167-E176 WeakPolarHBondContact CE-OE1 3.5Å; K167-E176 HydrophobicContact CG-CG 4.13Å; K167-E176 IonicContact NZ-OE1 2.66Å; K167-E176 PolarHBondContact NZ-OE1 2.89Å; V172-E176 PolarHBondContact O-N 2.81Å; D173-E176 PolarHBondContact O-N 3.17Å; D173-E176 VanDerWaalsContact O-N 3.07Å; E176-A178 PolarHBondContact O-N 3.16Å; E176-V179 PolarHBondContact O-N 3.48Å; E176-N180 WeakPolarHBondContact CG-ND2 3.22Å; E176-N180 VanDerWaalsContact O-CG 3.27Å; E176-N180 PolarHBondContact O-N 2.89Å; E176-N180 PolarHBondContact O-ND2 3.12Å |
| 177 | Y | 88.3 | Confident | 84.2 | Confident | 148 Ų | 148 | 72.4 Ų | 72.4 | 58% | 0.58 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -53.9 | -53.3 | 175.4 | -176.6 | -89.2 | 0 | 0 | 0 | 111.2 | D173 V179 N180 E181 | D173-Y177 PolarHBondContact O-N 3.01Å; Y177-V179 VanDerWaalsContact C-N 3.31Å; Y177-V179 PolarHBondContact O-N 3.47Å; Y177-N180 PolarHBondContact O-N 3.09Å; Y177-N180 VanDerWaalsContact O-N 3.12Å; Y177-E181 HydrophobicContact CD1-CG 3.8Å; Y177-E181 HydrophobicContact CE1-CG 3.31Å; Y177-E181 WeakPolarHBondContact CE1-OE2 3.29Å; Y177-E181 HydrophobicContact CE2-CG 4.46Å; Y177-E181 WeakPolarHBondContact O-CG 3.36Å; Y177-E181 PolarHBondContact O-N 2.99Å; Y177-E181 VanDerWaalsContact OH-CD 3.23Å; Y177-E181 PolarHBondContact OH-OE2 3.02Å |
| 178 | A | 90.7 | Very high | 84.8 | Confident | 22 Ų | 22 | 74.9 Ų | 74.9 | 18% | 0.182 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.5 | -35 | -180 | 0 | 0 | 0 | 0 | 0 | 113.7 | N174 E176 V182 Y255 | N174-A178 PolarHBondContact O-N 3.35Å; E176-A178 PolarHBondContact O-N 3.16Å; A178-V182 WeakPolarHBondContact O-CG2 3.1Å; A178-V182 PolarHBondContact O-N 2.9Å; A178-V182 VanDerWaalsContact O-N 3.14Å; A178-Y255 HydrophobicContact CB-CE2 3.96Å; A178-Y255 WeakPolarHBondContact CB-OH 3.48Å |
| 179 | V | 92.3 | Very high | 85.6 | Confident | 3 Ų | 3 | 73.5 Ų | 73.5 | 2% | 0.018 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.9 | -43.4 | 174 | 166.7 | 0 | 0 | 0 | 0 | 111.2 | Y162 A163 K166 K175 E176 Y177 V182 V183 Y255 | Y162-V179 HydrophobicContact CD1-CG1 4.45Å; Y162-V179 HydrophobicContact CE1-CG1 3.99Å; A163-V179 HydrophobicContact CB-CG1 4.33Å; K166-V179 HydrophobicContact CB-CG1 4.12Å; K166-V179 HydrophobicContact CB-CG2 4.17Å; K166-V179 HydrophobicContact CG-CG1 4.24Å; K166-V179 HydrophobicContact CG-CG2 4.24Å; K175-V179 VanDerWaalsContact O-CG2 3.3Å; K175-V179 WeakPolarHBondContact O-CG2 3.38Å; K175-V179 PolarHBondContact O-N 2.92Å; E176-V179 PolarHBondContact O-N 3.48Å; Y177-V179 VanDerWaalsContact C-N 3.31Å; Y177-V179 PolarHBondContact O-N 3.47Å; V179-V182 PolarHBondContact O-N 3.29Å; V179-V183 HydrophobicContact CG1-CG2 4.48Å; V179-V183 WeakPolarHBondContact O-CB 3.38Å; V179-V183 WeakPolarHBondContact O-CG2 3.28Å; V179-V183 PolarHBondContact O-N 3.38Å; V179-Y255 HydrophobicContact CG2-CD1 4.22Å; V179-Y255 HydrophobicContact CG2-CE1 3.87Å |
| 180 | N | 93.5 | Very high | 86.7 | Confident | 63 Ų | 63 | 67.7 Ų | 67.7 | 34% | 0.337 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 178.7 | -66.3 | -30.1 | 0 | 0 | 0 | 111.5 | E176 Y177 V183 G184 | E176-N180 WeakPolarHBondContact CG-ND2 3.22Å; E176-N180 VanDerWaalsContact O-CG 3.27Å; E176-N180 PolarHBondContact O-N 2.89Å; E176-N180 PolarHBondContact O-ND2 3.12Å; Y177-N180 PolarHBondContact O-N 3.09Å; Y177-N180 VanDerWaalsContact O-N 3.12Å; N180-V183 PolarHBondContact O-N 3.13Å; N180-G184 PolarHBondContact O-N 3.29Å |
| 181 | E | 94.1 | Very high | 88.4 | Confident | 108 Ų | 108 | 68.3 Ų | 68.3 | 51% | 0.505 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 175.6 | -66.6 | -74.3 | 73.5 | 0 | 0 | 111.9 | Y177 V183 G184 G185 | Y177-E181 HydrophobicContact CD1-CG 3.8Å; Y177-E181 HydrophobicContact CE1-CG 3.31Å; Y177-E181 WeakPolarHBondContact CE1-OE2 3.29Å; Y177-E181 HydrophobicContact CE2-CG 4.46Å; Y177-E181 WeakPolarHBondContact O-CG 3.36Å; Y177-E181 PolarHBondContact O-N 2.99Å; Y177-E181 VanDerWaalsContact OH-CD 3.23Å; Y177-E181 PolarHBondContact OH-OE2 3.02Å; E181-V183 VanDerWaalsContact C-N 3.33Å; E181-V183 PolarHBondContact O-N 2.95Å; E181-G184 PolarHBondContact O-N 2.89Å; E181-G185 PolarHBondContact O-N 3.21Å |
| 182 | V | 94.4 | Very high | 90.3 | Very high | 19 Ų | 19 | 66 Ų | 66 | 12% | 0.115 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 178 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | A178 V179 G185 I186 L252 Y255 L256 | A178-V182 WeakPolarHBondContact O-CG2 3.1Å; A178-V182 PolarHBondContact O-N 2.9Å; A178-V182 VanDerWaalsContact O-N 3.14Å; V179-V182 PolarHBondContact O-N 3.29Å; V182-G185 PolarHBondContact O-N 2.88Å; V182-I186 HydrophobicContact CG1-CD1 3.82Å; V182-I186 HydrophobicContact CG1-CG1 4.37Å; V182-I186 WeakPolarHBondContact O-CD1 3.38Å; V182-I186 VanDerWaalsContact O-CG1 3.23Å; V182-I186 WeakPolarHBondContact O-CG1 3.33Å; V182-I186 PolarHBondContact O-N 3.42Å; V182-L252 HydrophobicContact CG1-CD1 4.4Å; V182-L252 HydrophobicContact CG2-CD1 4.01Å; V182-Y255 HydrophobicContact CG2-CD2 3.99Å; V182-Y255 HydrophobicContact CG2-CG 4.1Å; V182-L256 HydrophobicContact CG1-CD2 4.29Å |
| 183 | V | 96.4 | Very high | 91.8 | Very high | 17 Ų | 17 | 61.8 Ų | 61.8 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 173.7 | 157.9 | 0 | 0 | 0 | 0 | 111.6 | L159 Y162 A163 V179 N180 E181 I186 K187 | L159-V183 HydrophobicContact CB-CG1 3.87Å; L159-V183 HydrophobicContact CD2-CG1 4.47Å; L159-V183 HydrophobicContact CD2-CG2 4.36Å; Y162-V183 HydrophobicContact CD1-CG2 3.78Å; Y162-V183 HydrophobicContact CE1-CG2 4.11Å; A163-V183 HydrophobicContact CB-CG2 4.46Å; V179-V183 HydrophobicContact CG1-CG2 4.48Å; V179-V183 WeakPolarHBondContact O-CB 3.38Å; V179-V183 WeakPolarHBondContact O-CG2 3.28Å; V179-V183 PolarHBondContact O-N 3.38Å; N180-V183 PolarHBondContact O-N 3.13Å; E181-V183 VanDerWaalsContact C-N 3.33Å; E181-V183 PolarHBondContact O-N 2.95Å; V183-I186 PolarHBondContact O-N 3.49Å; V183-K187 PolarHBondContact O-N 3.38Å |
| 184 | G | 96.8 | Very high | 93.1 | Very high | 36 Ų | 36 | 56.2 Ų | 56.2 | 37% | 0.371 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.3 | -49.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N180 E181 I186 K187 E188 | N180-G184 PolarHBondContact O-N 3.29Å; E181-G184 PolarHBondContact O-N 2.89Å; G184-I186 PolarHBondContact O-N 3.13Å; G184-K187 WeakPolarHBondContact O-CB 3.39Å; G184-K187 PolarHBondContact O-N 3.5Å; G184-K187 VanDerWaalsContact O-N 3.16Å; G184-E188 PolarHBondContact O-N 2.58Å |
| 185 | G | 95.5 | Very high | 94 | Very high | 26 Ų | 26 | 50.1 Ų | 50.1 | 27% | 0.268 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.9 | -48 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E181 V182 K187 E188 Y189 | E181-G185 PolarHBondContact O-N 3.21Å; V182-G185 PolarHBondContact O-N 2.88Å; G185-K187 VanDerWaalsContact C-N 3.29Å; G185-K187 PolarHBondContact O-N 3.04Å; G185-E188 PolarHBondContact O-N 3.17Å; G185-Y189 WeakPolarHBondContact O-CB 3.35Å; G185-Y189 VanDerWaalsContact O-CD2 3.29Å; G185-Y189 WeakPolarHBondContact O-CD2 3.16Å; G185-Y189 PolarHBondContact O-N 3.22Å |
| 186 | I | 97.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.5 | -42.2 | 176.2 | -67.4 | 161 | 0 | 0 | 0 | 110.9 | L159 V182 V183 G184 F190 L228 L231 F232 L256 F259 | L159-I186 HydrophobicContact CD1-CG2 4.36Å; L159-I186 HydrophobicContact CD2-CB 4.2Å; L159-I186 HydrophobicContact CD2-CD1 4.44Å; L159-I186 HydrophobicContact CD2-CG2 3.84Å; V182-I186 HydrophobicContact CG1-CD1 3.82Å; V182-I186 HydrophobicContact CG1-CG1 4.37Å; V182-I186 WeakPolarHBondContact O-CD1 3.38Å; V182-I186 VanDerWaalsContact O-CG1 3.23Å; V182-I186 WeakPolarHBondContact O-CG1 3.33Å; V182-I186 PolarHBondContact O-N 3.42Å; V183-I186 PolarHBondContact O-N 3.49Å; G184-I186 PolarHBondContact O-N 3.13Å; I186-F190 VanDerWaalsContact O-CB 3.22Å; I186-F190 WeakPolarHBondContact O-CB 3.47Å; I186-F190 PolarHBondContact O-N 3.44Å; I186-L228 HydrophobicContact CG2-CD1 3.86Å; I186-L231 HydrophobicContact CG2-CD2 4.16Å; I186-F232 HydrophobicContact CD1-CZ 4.13Å; I186-F232 HydrophobicContact CG1-CZ 4.34Å; I186-F232 HydrophobicContact CG2-CZ 4.22Å; I186-L256 HydrophobicContact CD1-CD2 4.05Å; I186-L256 HydrophobicContact CG1-CD2 4.04Å; I186-F259 HydrophobicContact CD1-CD1 4.41Å; I186-F259 HydrophobicContact CD1-CG 4.4Å |
| 187 | K | 97.9 | Very high | 95 | Very high | 65 Ų | 65 | 50 Ų | 50 | 28% | 0.283 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63 | -47.2 | 177.8 | -172.6 | -178.1 | -64.9 | -159.4 | 0 | 112 | D156 L159 V183 G184 G185 F190 N191 | D156-K187 WeakPolarHBondContact OD1-CD 3.37Å; D156-K187 WeakPolarHBondContact OD1-CE 3.28Å; D156-K187 IonicContact OD1-NZ 3.65Å; D156-K187 PolarHBondContact OD1-NZ 3.47Å; D156-K187 VanDerWaalsContact OD1-NZ 3.13Å; D156-K187 IonicContact OD2-NZ 2.72Å; D156-K187 PolarHBondContact OD2-NZ 2.89Å; L159-K187 HydrophobicContact CD1-CB 3.83Å; L159-K187 HydrophobicContact CD1-CG 4.44Å; V183-K187 PolarHBondContact O-N 3.38Å; G184-K187 WeakPolarHBondContact O-CB 3.39Å; G184-K187 PolarHBondContact O-N 3.5Å; G184-K187 VanDerWaalsContact O-N 3.16Å; G185-K187 VanDerWaalsContact C-N 3.29Å; G185-K187 PolarHBondContact O-N 3.04Å; K187-F190 PolarHBondContact O-N 2.65Å; K187-N191 PolarHBondContact O-N 2.76Å; K187-N191 PolarHBondContact O-ND2 3.21Å; K187-N191 VanDerWaalsContact O-ND2 3.14Å |
| 188 | E | 96.3 | Very high | 95.4 | Very high | 134 Ų | 134 | 43.2 Ų | 43.2 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -65.4 | -48.4 | -179.7 | -174 | 170.8 | -156.3 | 0 | 0 | 111.7 | G184 G185 F190 N191 V192 | G184-E188 PolarHBondContact O-N 2.58Å; G185-E188 PolarHBondContact O-N 3.17Å; E188-F190 VanDerWaalsContact C-N 3.29Å; E188-F190 PolarHBondContact O-N 2.86Å; E188-N191 PolarHBondContact O-N 2.98Å; E188-N191 VanDerWaalsContact O-N 3.17Å; E188-V192 WeakPolarHBondContact O-CG2 3.35Å; E188-V192 PolarHBondContact O-N 3.01Å |
| 189 | Y | 95.1 | Very high | 95.7 | Very high | 71 Ų | 71 | 42.7 Ų | 42.7 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.1 | -41.9 | 173.6 | -90.6 | -99.7 | 0 | 0 | 0 | 111.8 | G185 V192 M193 I235 M238 T242 | G185-Y189 WeakPolarHBondContact O-CB 3.35Å; G185-Y189 VanDerWaalsContact O-CD2 3.29Å; G185-Y189 WeakPolarHBondContact O-CD2 3.16Å; G185-Y189 PolarHBondContact O-N 3.22Å; Y189-V192 PolarHBondContact O-N 3.02Å; Y189-M193 HydrophobicContact CD1-SD 3.86Å; Y189-M193 WeakPolarHBondContact O-CB 3.4Å; Y189-M193 VanDerWaalsContact O-CG 3.24Å; Y189-M193 WeakPolarHBondContact O-CG 3.26Å; Y189-M193 PolarHBondContact O-N 2.94Å; Y189-I235 HydrophobicContact CD1-CD1 4.15Å; Y189-I235 HydrophobicContact CD1-CG1 4.12Å; Y189-I235 HydrophobicContact CE1-CG1 4.41Å; Y189-I235 HydrophobicContact CG-CD1 4.29Å; Y189-M238 HydrophobicContact CE1-CB 4.07Å; Y189-T242 PolarHBondContact OH-OG1 2.94Å |
| 190 | F | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.7 | -47.5 | 176.3 | -175.1 | -99.5 | 0 | 0 | 0 | 112 | V155 I186 K187 E188 V192 M193 L194 L198 M219 H227 L228 L231 | V155-F190 HydrophobicContact CB-CD1 4.43Å; V155-F190 HydrophobicContact CB-CE1 4.32Å; V155-F190 HydrophobicContact CG1-CD1 4.28Å; V155-F190 HydrophobicContact CG1-CG 4.41Å; V155-F190 HydrophobicContact CG2-CD1 4.18Å; V155-F190 HydrophobicContact CG2-CE1 3.7Å; V155-F190 HydrophobicContact CG2-CE2 4.16Å; V155-F190 HydrophobicContact CG2-CZ 3.68Å; I186-F190 VanDerWaalsContact O-CB 3.22Å; I186-F190 WeakPolarHBondContact O-CB 3.47Å; I186-F190 PolarHBondContact O-N 3.44Å; K187-F190 PolarHBondContact O-N 2.65Å; E188-F190 VanDerWaalsContact C-N 3.29Å; E188-F190 PolarHBondContact O-N 2.86Å; F190-V192 PolarHBondContact O-N 3.2Å; F190-M193 PolarHBondContact O-N 3.09Å; F190-L194 HydrophobicContact CE1-CD1 3.79Å; F190-L194 HydrophobicContact CE2-CD1 3.87Å; F190-L194 HydrophobicContact CZ-CD1 3.28Å; F190-L194 VanDerWaalsContact O-CB 3.31Å; F190-L194 WeakPolarHBondContact O-CB 3.36Å; F190-L194 PolarHBondContact O-N 3.34Å; F190-L198 HydrophobicContact CD2-CD1 3.79Å; F190-L198 HydrophobicContact CE2-CD1 3.86Å; F190-M219 HydrophobicContact CE1-CB 4.32Å; F190-H227 HydrophobicContact CE2-CB 3.93Å; F190-H227 HydrophobicContact CZ-CB 3.92Å; F190-L228 HydrophobicContact CD2-CD1 4.09Å; F190-L228 HydrophobicContact CE2-CB 4.37Å; F190-L231 HydrophobicContact CB-CD2 4.02Å; F190-L231 HydrophobicContact CD2-CB 4.48Å; F190-L231 HydrophobicContact CD2-CD2 4.34Å |
| 191 | N | 97.4 | Very high | 96.1 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 25% | 0.251 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | -179.9 | -76.1 | -37.4 | 0 | 0 | 0 | 112.6 | K187 E188 M219 S220 | K187-N191 PolarHBondContact O-N 2.76Å; K187-N191 PolarHBondContact O-ND2 3.21Å; K187-N191 VanDerWaalsContact O-ND2 3.14Å; E188-N191 PolarHBondContact O-N 2.98Å; E188-N191 VanDerWaalsContact O-N 3.17Å; N191-M219 WeakPolarHBondContact OD1-CA 3.43Å; N191-M219 PolarHBondContact OD1-N 3.06Å; N191-S220 PolarHBondContact ND2-OG 2.6Å; N191-S220 WeakPolarHBondContact OD1-CB 3.4Å; N191-S220 PolarHBondContact OD1-N 3.38Å; N191-S220 PolarHBondContact OD1-OG 2.99Å |
| 192 | V | 95.2 | Very high | 96.2 | Very high | 103 Ų | 103 | 45.3 Ų | 45.3 | 62% | 0.624 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -74.5 | -41.4 | 177.6 | 175.6 | 0 | 0 | 0 | 0 | 112.2 | E188 Y189 F190 T196 | E188-V192 WeakPolarHBondContact O-CG2 3.35Å; E188-V192 PolarHBondContact O-N 3.01Å; Y189-V192 PolarHBondContact O-N 3.02Å; F190-V192 PolarHBondContact O-N 3.2Å; V192-T196 PolarHBondContact O-OG1 3.47Å |
| 193 | M | 95.2 | Very high | 96.3 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.025 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -84.3 | -23 | -172.6 | -66.7 | -176.8 | 74.1 | 0 | 0 | 114.2 | Y189 F190 G195 T196 Q197 L198 L231 R234 M238 | Y189-M193 HydrophobicContact CD1-SD 3.86Å; Y189-M193 WeakPolarHBondContact O-CB 3.4Å; Y189-M193 VanDerWaalsContact O-CG 3.24Å; Y189-M193 WeakPolarHBondContact O-CG 3.26Å; Y189-M193 PolarHBondContact O-N 2.94Å; F190-M193 PolarHBondContact O-N 3.09Å; M193-G195 PolarHBondContact O-N 3.25Å; M193-T196 PolarHBondContact O-N 3.25Å; M193-T196 PolarHBondContact O-OG1 3.04Å; M193-Q197 HydrophobicContact CE-CB 4.28Å; M193-Q197 HydrophobicContact CE-CG 4.4Å; M193-Q197 PolarHBondContact O-N 2.92Å; M193-L198 HydrophobicContact CB-CD1 4.33Å; M193-L198 HydrophobicContact CB-CD2 4.46Å; M193-L198 HydrophobicContact CB-CG 4.21Å; M193-L198 PolarHBondContact O-N 3.24Å; M193-L231 HydrophobicContact CB-CD1 4.22Å; M193-L231 HydrophobicContact CE-CD1 4.23Å; M193-L231 HydrophobicContact CG-CD1 4.38Å; M193-L231 HydrophobicContact SD-CD1 3.43Å; M193-L231 WeakPolarHBondContact SD-CD1 3.49Å; M193-R234 HydrophobicContact CE-CB 3.79Å; M193-M238 HydrophobicContact CE-CG 3.51Å; M193-M238 HydrophobicContact CE-SD 4.3Å; M193-M238 HydrophobicContact SD-CG 3.9Å |
| 194 | L | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -56.8 | -57.4 | -174 | -177.6 | 122.8 | 0 | 0 | 0 | 112 | F190 T196 L198 L199 Y207 M219 Y223 H227 | F190-L194 HydrophobicContact CE1-CD1 3.79Å; F190-L194 HydrophobicContact CE2-CD1 3.87Å; F190-L194 HydrophobicContact CZ-CD1 3.28Å; F190-L194 VanDerWaalsContact O-CB 3.31Å; F190-L194 WeakPolarHBondContact O-CB 3.36Å; F190-L194 PolarHBondContact O-N 3.34Å; L194-T196 PolarHBondContact O-N 3.49Å; L194-T196 VanDerWaalsContact O-N 3.08Å; L194-L198 HydrophobicContact CB-CD1 4.37Å; L194-L198 PolarHBondContact O-N 3.27Å; L194-L199 HydrophobicContact CD2-CD1 4Å; L194-L199 HydrophobicContact CD2-CD2 4.43Å; L194-L199 HydrophobicContact CD2-CG 4.34Å; L194-L199 HydrophobicContact CG-CD1 4.39Å; L194-L199 HydrophobicContact CG-CD2 4.35Å; L194-L199 HydrophobicContact CG-CG 4.23Å; L194-L199 WeakPolarHBondContact O-CG 3.49Å; L194-Y207 HydrophobicContact CD2-CD2 3.81Å; L194-Y207 HydrophobicContact CD2-CE2 3.69Å; L194-M219 HydrophobicContact CB-CB 4.32Å; L194-M219 HydrophobicContact CB-CG 4.47Å; L194-M219 HydrophobicContact CD2-CB 4.01Å; L194-M219 HydrophobicContact CD2-CG 3.78Å; L194-M219 HydrophobicContact CD2-SD 3.86Å; L194-Y223 HydrophobicContact CD1-CD1 3.76Å; L194-Y223 HydrophobicContact CD1-CD2 3.76Å; L194-Y223 HydrophobicContact CD1-CE1 4.13Å; L194-Y223 HydrophobicContact CD1-CE2 4.16Å; L194-Y223 HydrophobicContact CD1-CG 3.55Å; L194-Y223 HydrophobicContact CD2-CD2 3.78Å; L194-Y223 HydrophobicContact CD2-CE1 4.28Å; L194-Y223 HydrophobicContact CD2-CE2 3.43Å; L194-Y223 VanDerWaalsContact CD2-CE2 3.43Å; L194-Y223 HydrophobicContact CD2-CG 4.37Å; L194-Y223 HydrophobicContact CG-CD2 4.44Å; L194-Y223 HydrophobicContact CG-CE2 4.44Å; L194-H227 HydrophobicContact CD1-CB 4.09Å |
| 195 | G | 95.1 | Very high | 96.4 | Very high | 12 Ų | 12 | 47.4 Ų | 47.4 | 12% | 0.124 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -63.7 | -14.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | M193 R204 Y207 | M193-G195 PolarHBondContact O-N 3.25Å; G195-R204 PolarHBondContact O-NH1 2.88Å; G195-Y207 VanDerWaalsContact CA-CZ 3.43Å; G195-Y207 WeakPolarHBondContact CA-OH 3.24Å |
| 196 | T | 93.3 | Very high | 96.5 | Very high | 89 Ų | 89 | 47.2 Ų | 47.2 | 55% | 0.546 | 23% | 0.228 | S | C | . | . | I | π-helix | trans | -108.6 | -52.8 | -176.2 | 51.4 | 0 | 0 | 0 | 0 | 112.2 | V192 M193 L194 R204 | V192-T196 PolarHBondContact O-OG1 3.47Å; M193-T196 PolarHBondContact O-N 3.25Å; M193-T196 PolarHBondContact O-OG1 3.04Å; L194-T196 PolarHBondContact O-N 3.49Å; L194-T196 VanDerWaalsContact O-N 3.08Å; T196-R204 PolarHBondContact O-NH2 3.43Å |
| 197 | Q | 94 | Very high | 96.5 | Very high | 79 Ų | 79 | 49.3 Ų | 49.3 | 37% | 0.369 | 24% | 0.236 | S | C | . | . | I | π-helix | trans | -117.8 | -18.5 | -164.3 | -58.1 | -170.7 | 34.4 | 0 | 0 | 115.9 | M193 | M193-Q197 HydrophobicContact CE-CB 4.28Å; M193-Q197 HydrophobicContact CE-CG 4.4Å; M193-Q197 PolarHBondContact O-N 2.92Å |
| 198 | L | 97.3 | Very high | 96.4 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -98.5 | -11.6 | -171.5 | -48.1 | -175.5 | 0 | 0 | 0 | 114.5 | F190 M193 L194 R230 L231 R234 | F190-L198 HydrophobicContact CD2-CD1 3.79Å; F190-L198 HydrophobicContact CE2-CD1 3.86Å; M193-L198 HydrophobicContact CB-CD1 4.33Å; M193-L198 HydrophobicContact CB-CD2 4.46Å; M193-L198 HydrophobicContact CB-CG 4.21Å; M193-L198 PolarHBondContact O-N 3.24Å; L194-L198 HydrophobicContact CB-CD1 4.37Å; L194-L198 PolarHBondContact O-N 3.27Å; L198-R230 WeakPolarHBondContact O-CD 3.46Å; L198-R230 PolarHBondContact O-NH1 3.47Å; L198-L231 HydrophobicContact CD1-CB 3.95Å; L198-L231 HydrophobicContact CD1-CD1 4.24Å; L198-L231 HydrophobicContact CD2-CB 4.36Å; L198-L231 HydrophobicContact CD2-CD1 4.36Å; L198-R234 HydrophobicContact CD2-CB 4.24Å; L198-R234 HydrophobicContact CD2-CG 4.05Å |
| 199 | L | 97.6 | Very high | 96.4 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | trans | -100.6 | 130.4 | -177.7 | -62.6 | 172.2 | 0 | 0 | 0 | 112.4 | L194 E203 R204 Y207 Y223 | L194-L199 HydrophobicContact CD2-CD1 4Å; L194-L199 HydrophobicContact CD2-CD2 4.43Å; L194-L199 HydrophobicContact CD2-CG 4.34Å; L194-L199 HydrophobicContact CG-CD1 4.39Å; L194-L199 HydrophobicContact CG-CD2 4.35Å; L194-L199 HydrophobicContact CG-CG 4.23Å; L194-L199 WeakPolarHBondContact O-CG 3.49Å; L199-E203 HydrophobicContact CB-CB 4.34Å; L199-E203 HydrophobicContact CD2-CB 4.09Å; L199-R204 PolarHBondContact O-NH2 3.45Å; L199-Y207 HydrophobicContact CD1-CD1 4.06Å; L199-Y207 HydrophobicContact CD1-CD2 3.66Å; L199-Y207 HydrophobicContact CD1-CE2 4.36Å; L199-Y207 HydrophobicContact CD1-CG 3.48Å; L199-Y207 VanDerWaalsContact CD1-CG 3.48Å; L199-Y223 HydrophobicContact CD2-CE1 3.92Å | ||
| 200 | Y | 97.4 | Very high | 96.5 | Very high | 64 Ų | 64 | 43.2 Ų | 43.2 | 25% | 0.251 | 22% | 0.22 | S | C | . | . | trans | -68.3 | 160 | 170.2 | -62.7 | -59.3 | 0 | 0 | 0 | 111.2 | W137 V140 T141 F202 E203 R230 | W137-Y200 AromaticContact CD1-CE1 3.73Å; W137-Y200 AromaticContact CD1-CZ 3.74Å; V140-Y200 HydrophobicContact CB-CD2 3.94Å; V140-Y200 HydrophobicContact CB-CE2 4.48Å; V140-Y200 HydrophobicContact CG1-CD2 3.79Å; V140-Y200 HydrophobicContact CG1-CG 4.35Å; V140-Y200 HydrophobicContact CG2-CD2 4.42Å; T141-Y200 HydrophobicContact CG2-CD1 4.11Å; T141-Y200 HydrophobicContact CG2-CD2 4.23Å; T141-Y200 HydrophobicContact CG2-CG 3.96Å; Y200-F202 PolarHBondContact O-N 3.18Å; Y200-F202 VanDerWaalsContact O-N 3.12Å; Y200-E203 WeakPolarHBondContact CD2-OE2 3.3Å; Y200-E203 PolarHBondContact N-OE2 3Å; Y200-E203 PolarHBondContact O-N 2.97Å; Y200-R230 VanDerWaalsContact CE2-CZ 3.4Å | ||
| 201 | K | 95.7 | Very high | 96.5 | Very high | 148 Ų | 148 | 46.7 Ų | 46.7 | 64% | 0.643 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -53.2 | -37.8 | -179.6 | -165.6 | -163.2 | 174.7 | -154.5 | 0 | 112 | E203 R204 L288 | K201-E203 VanDerWaalsContact C-N 3.33Å; K201-E203 PolarHBondContact O-N 3.49Å; K201-R204 WeakPolarHBondContact O-CB 3.48Å; K201-R204 WeakPolarHBondContact O-CG 3.46Å; K201-R204 PolarHBondContact O-N 2.94Å; K201-L288 PolarHBondContact NZ-OXT 2.92Å |
| 202 | F | 96.7 | Very high | 96.4 | Very high | 18 Ų | 18 | 51.6 Ų | 51.6 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -70.3 | -22.7 | -177.8 | -166.2 | -112.8 | 0 | 0 | 0 | 114.2 | V140 K144 L146 Y200 A279 Y283 H284 A287 | V140-F202 HydrophobicContact CG1-CB 4.26Å; V140-F202 HydrophobicContact CG1-CD1 4.36Å; K144-F202 HydrophobicContact CB-CE1 3.91Å; K144-F202 HydrophobicContact CB-CE2 4.44Å; K144-F202 HydrophobicContact CB-CZ 3.74Å; K144-F202 HydrophobicContact CD-CD2 4.21Å; K144-F202 HydrophobicContact CD-CE1 4.37Å; K144-F202 HydrophobicContact CD-CE2 4.04Å; K144-F202 HydrophobicContact CD-CG 4.46Å; K144-F202 HydrophobicContact CD-CZ 4.12Å; K144-F202 HydrophobicContact CG-CZ 4.39Å; K144-F202 WeakPolarHBondContact O-CE1 3.36Å; L146-F202 HydrophobicContact CD2-CD1 3.77Å; L146-F202 HydrophobicContact CD2-CE1 3.87Å; L146-F202 HydrophobicContact CG-CD1 4.48Å; L146-F202 HydrophobicContact CG-CE1 4.1Å; Y200-F202 PolarHBondContact O-N 3.18Å; Y200-F202 VanDerWaalsContact O-N 3.12Å; F202-A279 HydrophobicContact CE1-CB 3.85Å; F202-A279 HydrophobicContact CZ-CB 3.7Å; F202-Y283 HydrophobicContact CD1-CE1 4.35Å; F202-Y283 HydrophobicContact CD2-CE1 4.41Å; F202-Y283 HydrophobicContact CE1-CD1 4.29Å; F202-Y283 AromaticContact CE1-CE1 3.99Å; F202-Y283 HydrophobicContact CE1-CE1 3.99Å; F202-Y283 HydrophobicContact CE2-CD1 4.18Å; F202-Y283 HydrophobicContact CE2-CE1 4.07Å; F202-Y283 AromaticContact CZ-CD1 3.82Å; F202-Y283 HydrophobicContact CZ-CD1 3.82Å; F202-Y283 AromaticContact CZ-CE1 3.85Å; F202-Y283 HydrophobicContact CZ-CE1 3.85Å; F202-Y283 VanDerWaalsContact O-CE1 3.27Å; F202-Y283 WeakPolarHBondContact O-CE1 3.45Å; F202-Y283 PolarHBondContact O-OH 2.69Å; F202-H284 AromaticContact CZ-NE2 3.98Å; F202-A287 HydrophobicContact CD2-CB 3.6Å; F202-A287 HydrophobicContact CE2-CB 3.61Å |
| 203 | E | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -86 | -6.7 | 178.1 | -66.4 | 163.9 | 125.1 | 0 | 0 | 112.8 | V140 L146 L199 Y200 K201 Q206 Y207 H227 R230 | V140-E203 HydrophobicContact CG1-CG 3.74Å; L146-E203 HydrophobicContact CD2-CG 4.21Å; L199-E203 HydrophobicContact CB-CB 4.34Å; L199-E203 HydrophobicContact CD2-CB 4.09Å; Y200-E203 WeakPolarHBondContact CD2-OE2 3.3Å; Y200-E203 PolarHBondContact N-OE2 3Å; Y200-E203 PolarHBondContact O-N 2.97Å; K201-E203 VanDerWaalsContact C-N 3.33Å; K201-E203 PolarHBondContact O-N 3.49Å; E203-Q206 PolarHBondContact O-N 3.19Å; E203-Y207 PolarHBondContact O-N 2.93Å; E203-H227 IonicContact OE1-CD2 3.25Å; E203-H227 IonicContact OE1-CE1 2.77Å; E203-H227 IonicContact OE1-NE2 2.92Å; E203-H227 PolarHBondContact OE1-NE2 2.91Å; E203-R230 VanDerWaalsContact CD-NH1 3.3Å; E203-R230 IonicContact OE1-CZ 2.73Å; E203-R230 IonicContact OE1-NH1 3.66Å; E203-R230 PolarHBondContact OE1-NH1 3.31Å; E203-R230 IonicContact OE1-NH2 3.04Å; E203-R230 PolarHBondContact OE1-NH2 3.21Å; E203-R230 IonicContact OE2-CZ 2.65Å; E203-R230 IonicContact OE2-NH1 3.83Å; E203-R230 PolarHBondContact OE2-NH1 3.45Å; E203-R230 IonicContact OE2-NH2 3.45Å |
| 204 | R | 97 | Very high | 96.5 | Very high | 94 Ų | 94 | 52.7 Ų | 52.7 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | -174.3 | -62.3 | -62.7 | -177.1 | 156 | -5 | 114 | G195 T196 L199 K201 Y207 A208 | G195-R204 PolarHBondContact O-NH1 2.88Å; T196-R204 PolarHBondContact O-NH2 3.43Å; L199-R204 PolarHBondContact O-NH2 3.45Å; K201-R204 WeakPolarHBondContact O-CB 3.48Å; K201-R204 WeakPolarHBondContact O-CG 3.46Å; K201-R204 PolarHBondContact O-N 2.94Å; R204-Y207 PolarHBondContact O-N 2.97Å; R204-A208 PolarHBondContact O-N 3.38Å; R204-A208 VanDerWaalsContact O-N 3.1Å |
| 205 | P | 97.3 | Very high | 96.3 | Very high | 21 Ų | 21 | 57.3 Ų | 57.3 | 14% | 0.136 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 173.2 | -22.7 | 33.6 | 0 | 0 | 0 | 113.1 | Y207 A208 E209 Y283 K286 A287 | P205-Y207 VanDerWaalsContact C-N 3.33Å; P205-Y207 PolarHBondContact O-N 3.34Å; P205-A208 PolarHBondContact O-N 3.11Å; P205-E209 WeakPolarHBondContact O-CG 3.37Å; P205-E209 PolarHBondContact O-N 3.5Å; P205-Y283 HydrophobicContact CB-CE2 3.83Å; P205-Y283 WeakPolarHBondContact CD-OH 3.45Å; P205-Y283 HydrophobicContact CG-CE1 4.49Å; P205-K286 HydrophobicContact CB-CB 3.99Å; P205-K286 HydrophobicContact CG-CB 4.16Å; P205-K286 WeakPolarHBondContact CG-O 3.37Å; P205-A287 HydrophobicContact CG-CB 3.94Å |
| 206 | Q | 97.4 | Very high | 96.3 | Very high | 23 Ų | 23 | 64.2 Ų | 64.2 | 11% | 0.107 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.3 | -44.5 | 176.7 | -173.3 | -175.5 | 39 | 0 | 0 | 111.1 | F147 L149 E203 A208 E209 I210 Y283 | F147-Q206 PolarHBondContact O-NE2 3.47Å; L149-Q206 HydrophobicContact CD1-CG 4Å; E203-Q206 PolarHBondContact O-N 3.19Å; Q206-A208 PolarHBondContact O-N 3.43Å; Q206-E209 PolarHBondContact O-N 3.08Å; Q206-I210 WeakPolarHBondContact O-CG1 3.5Å; Q206-I210 PolarHBondContact O-N 3.23Å; Q206-Y283 HydrophobicContact CB-CE2 3.82Å; Q206-Y283 WeakPolarHBondContact CB-OH 3.26Å; Q206-Y283 PolarHBondContact N-OH 2.85Å |
| 207 | Y | 97.7 | Very high | 96.3 | Very high | 47 Ų | 47 | 61.1 Ų | 61.1 | 18% | 0.184 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 176.3 | 174.9 | -110.1 | 0 | 0 | 0 | 112.7 | L194 G195 L199 E203 R204 P205 E209 I210 L211 M219 | L194-Y207 HydrophobicContact CD2-CD2 3.81Å; L194-Y207 HydrophobicContact CD2-CE2 3.69Å; G195-Y207 VanDerWaalsContact CA-CZ 3.43Å; G195-Y207 WeakPolarHBondContact CA-OH 3.24Å; L199-Y207 HydrophobicContact CD1-CD1 4.06Å; L199-Y207 HydrophobicContact CD1-CD2 3.66Å; L199-Y207 HydrophobicContact CD1-CE2 4.36Å; L199-Y207 HydrophobicContact CD1-CG 3.48Å; L199-Y207 VanDerWaalsContact CD1-CG 3.48Å; E203-Y207 PolarHBondContact O-N 2.93Å; R204-Y207 PolarHBondContact O-N 2.97Å; P205-Y207 VanDerWaalsContact C-N 3.33Å; P205-Y207 PolarHBondContact O-N 3.34Å; Y207-E209 VanDerWaalsContact C-N 3.32Å; Y207-E209 PolarHBondContact O-N 3.23Å; Y207-I210 PolarHBondContact O-N 3.03Å; Y207-L211 HydrophobicContact CD1-CD1 4.28Å; Y207-L211 HydrophobicContact CE1-CD1 3.64Å; Y207-L211 HydrophobicContact CE1-CG 4.21Å; Y207-L211 HydrophobicContact CE2-CD1 4.41Å; Y207-L211 HydrophobicContact CE2-CD2 4.04Å; Y207-L211 HydrophobicContact CE2-CG 4.14Å; Y207-L211 WeakPolarHBondContact O-CG 3.33Å; Y207-L211 PolarHBondContact O-N 3.04Å; Y207-M219 HydrophobicContact CD2-SD 4.26Å; Y207-M219 HydrophobicContact CE2-CG 4.46Å; Y207-M219 HydrophobicContact CE2-SD 3.71Å |
| 208 | A | 96.8 | Very high | 96.5 | Very high | 48 Ų | 48 | 59.7 Ų | 59.7 | 40% | 0.397 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.2 | -37.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R204 P205 Q206 L212 | R204-A208 PolarHBondContact O-N 3.38Å; R204-A208 VanDerWaalsContact O-N 3.1Å; P205-A208 PolarHBondContact O-N 3.11Å; Q206-A208 PolarHBondContact O-N 3.43Å; A208-L212 WeakPolarHBondContact O-CG 3.4Å; A208-L212 PolarHBondContact O-N 2.88Å |
| 209 | E | 96.2 | Very high | 96.5 | Very high | 78 Ų | 78 | 60.1 Ų | 60.1 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 173.7 | -70.6 | 174.5 | 178.9 | 0 | 0 | 112 | P205 Q206 Y207 L212 A213 K286 | P205-E209 WeakPolarHBondContact O-CG 3.37Å; P205-E209 PolarHBondContact O-N 3.5Å; Q206-E209 PolarHBondContact O-N 3.08Å; Y207-E209 VanDerWaalsContact C-N 3.32Å; Y207-E209 PolarHBondContact O-N 3.23Å; E209-L212 PolarHBondContact O-N 2.83Å; E209-A213 WeakPolarHBondContact O-CB 3.47Å; E209-A213 PolarHBondContact O-N 2.79Å; E209-K286 IonicContact OE1-NZ 3.13Å; E209-K286 PolarHBondContact OE1-NZ 3.23Å |
| 210 | I | 97.1 | Very high | 96.5 | Very high | 15 Ų | 15 | 59.6 Ų | 59.6 | 8% | 0.077 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 175 | -71.9 | -62.2 | 0 | 0 | 0 | 111.9 | L149 Q206 Y207 L212 A213 H214 M219 I222 Y223 | L149-I210 HydrophobicContact CB-CD1 3.98Å; L149-I210 HydrophobicContact CD1-CD1 4.29Å; L149-I210 HydrophobicContact CD1-CG1 3.93Å; Q206-I210 WeakPolarHBondContact O-CG1 3.5Å; Q206-I210 PolarHBondContact O-N 3.23Å; Y207-I210 PolarHBondContact O-N 3.03Å; I210-L212 PolarHBondContact O-N 3.1Å; I210-A213 PolarHBondContact O-N 3.26Å; I210-H214 PolarHBondContact O-N 3.11Å; I210-M219 HydrophobicContact CG2-CE 4.25Å; I210-M219 HydrophobicContact CG2-SD 4.33Å; I210-I222 HydrophobicContact CD1-CG2 3.98Å; I210-I222 HydrophobicContact CG1-CG2 4.39Å; I210-I222 HydrophobicContact CG2-CG1 4.48Å; I210-I222 HydrophobicContact CG2-CG2 3.86Å; I210-Y223 HydrophobicContact CG2-CE2 4.48Å |
| 211 | L | 96.4 | Very high | 96.5 | Very high | 74 Ų | 74 | 60.9 Ų | 60.9 | 39% | 0.387 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62 | -31 | 176.9 | -68.2 | -178.3 | 0 | 0 | 0 | 112.9 | Y207 P215 M219 | Y207-L211 HydrophobicContact CD1-CD1 4.28Å; Y207-L211 HydrophobicContact CE1-CD1 3.64Å; Y207-L211 HydrophobicContact CE1-CG 4.21Å; Y207-L211 HydrophobicContact CE2-CD1 4.41Å; Y207-L211 HydrophobicContact CE2-CD2 4.04Å; Y207-L211 HydrophobicContact CE2-CG 4.14Å; Y207-L211 WeakPolarHBondContact O-CG 3.33Å; Y207-L211 PolarHBondContact O-N 3.04Å; L211-P215 WeakPolarHBondContact O-CA 3.31Å; L211-M219 HydrophobicContact CD2-CE 3.9Å |
| 212 | L | 96.6 | Very high | 96.7 | Very high | 150 Ų | 150 | 54.3 Ų | 54.3 | 79% | 0.785 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -80.4 | -35.5 | 176.6 | -68 | 171.9 | 0 | 0 | 0 | 112.5 | A208 E209 I210 | A208-L212 WeakPolarHBondContact O-CG 3.4Å; A208-L212 PolarHBondContact O-N 2.88Å; E209-L212 PolarHBondContact O-N 2.83Å; I210-L212 PolarHBondContact O-N 3.1Å |
| 213 | A | 96.6 | Very high | 96.8 | Very high | 63 Ų | 63 | 53.5 Ų | 53.5 | 52% | 0.521 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -78.8 | -29.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E209 I210 | E209-A213 WeakPolarHBondContact O-CB 3.47Å; E209-A213 PolarHBondContact O-N 2.79Å; I210-A213 PolarHBondContact O-N 3.26Å |
| 214 | H | 94.8 | Very high | 96.8 | Very high | 68 Ų | 68 | 53.5 Ų | 53.5 | 32% | 0.315 | 29% | 0.293 | S | S | . | . | trans | -137.7 | 64.3 | -172.9 | -56.1 | -61.9 | 0 | 0 | 0 | 111.5 | I210 D216 A217 I222 | I210-H214 PolarHBondContact O-N 3.11Å; H214-D216 VanDerWaalsContact C-N 3.31Å; H214-D216 PolarHBondContact O-N 3.33Å; H214-A217 HydrophobicContact CB-CB 3.81Å; H214-A217 PolarHBondContact O-N 2.89Å; H214-I222 HydrophobicContact CB-CD1 4.29Å | ||
| 215 | P | 93.5 | Very high | 96.8 | Very high | 96 Ų | 96 | 49.2 Ų | 49.2 | 62% | 0.623 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -33.8 | -171.9 | 25 | -35.2 | 0 | 0 | 0 | 114 | L211 | L211-P215 WeakPolarHBondContact O-CA 3.31Š|
| 216 | D | 94.6 | Very high | 96.8 | Very high | 158 Ų | 158 | 48.5 Ų | 48.5 | 85% | 0.845 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -1.7 | -176.9 | -52.3 | -59.4 | 0 | 0 | 0 | 113.5 | H214 | H214-D216 VanDerWaalsContact C-N 3.31Å; H214-D216 PolarHBondContact O-N 3.33Å |
| 217 | A | 95.1 | Very high | 96.9 | Very high | 24 Ų | 24 | 47.4 Ų | 47.4 | 20% | 0.198 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -88.1 | 127.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | H214 M219 I222 | H214-A217 HydrophobicContact CB-CB 3.81Å; H214-A217 PolarHBondContact O-N 2.89Å; A217-M219 WeakPolarHBondContact O-CE 3.42Å; A217-I222 HydrophobicContact CB-CD1 4.02Å; A217-I222 HydrophobicContact CB-CG1 4.15Å |
| 218 | P | 97.1 | Very high | 96.9 | Very high | 49 Ų | 49 | 45.1 Ų | 45.1 | 32% | 0.318 | 26% | 0.26 | S | S | . | . | trans | -65.7 | 143.2 | 171.3 | 28.6 | -34.1 | 0 | 0 | 0 | 110.4 | S220 Q221 | P218-S220 PolarHBondContact O-N 2.93Å; P218-S220 VanDerWaalsContact O-N 3.11Å; P218-Q221 HydrophobicContact CG-CB 4.3Å; P218-Q221 HydrophobicContact CG-CG 3.85Å; P218-Q221 PolarHBondContact O-N 3.45Å | ||
| 219 | M | 97.4 | Very high | 96.9 | Very high | 14 Ų | 14 | 43 Ų | 43 | 7% | 0.069 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.1 | -28.4 | -177.3 | -65.5 | -59.6 | 108.8 | 0 | 0 | 113.1 | F190 N191 L194 Y207 I210 L211 A217 Q221 I222 Y223 | F190-M219 HydrophobicContact CE1-CB 4.32Å; N191-M219 WeakPolarHBondContact OD1-CA 3.43Å; N191-M219 PolarHBondContact OD1-N 3.06Å; L194-M219 HydrophobicContact CB-CB 4.32Å; L194-M219 HydrophobicContact CB-CG 4.47Å; L194-M219 HydrophobicContact CD2-CB 4.01Å; L194-M219 HydrophobicContact CD2-CG 3.78Å; L194-M219 HydrophobicContact CD2-SD 3.86Å; Y207-M219 HydrophobicContact CD2-SD 4.26Å; Y207-M219 HydrophobicContact CE2-CG 4.46Å; Y207-M219 HydrophobicContact CE2-SD 3.71Å; I210-M219 HydrophobicContact CG2-CE 4.25Å; I210-M219 HydrophobicContact CG2-SD 4.33Å; L211-M219 HydrophobicContact CD2-CE 3.9Å; A217-M219 WeakPolarHBondContact O-CE 3.42Å; M219-Q221 PolarHBondContact O-N 3.11Å; M219-I222 PolarHBondContact O-N 3.23Å; M219-I222 VanDerWaalsContact O-N 3.09Å; M219-Y223 HydrophobicContact CB-CD2 4.25Å; M219-Y223 PolarHBondContact O-N 3.42Å; M219-Y223 HydrophobicContact SD-CD2 4.14Å; M219-Y223 HydrophobicContact SD-CE2 3.75Å |
| 220 | S | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.8 | -18.4 | 175.4 | 66.4 | 0 | 0 | 0 | 0 | 114.3 | V155 D156 N191 P218 | V155-S220 WeakPolarHBondContact CB-O 3.24Å; V155-S220 PolarHBondContact N-O 3.43Å; V155-S220 VanDerWaalsContact N-O 3.09Å; D156-S220 PolarHBondContact N-O 3.02Å; D156-S220 WeakPolarHBondContact OD1-CB 3.48Å; D156-S220 PolarHBondContact OD1-OG 2.93Å; N191-S220 PolarHBondContact ND2-OG 2.6Å; N191-S220 WeakPolarHBondContact OD1-CB 3.4Å; N191-S220 PolarHBondContact OD1-N 3.38Å; N191-S220 PolarHBondContact OD1-OG 2.99Å; P218-S220 PolarHBondContact O-N 2.93Å; P218-S220 VanDerWaalsContact O-N 3.11Å |
| 221 | Q | 98 | Very high | 97 | Very high | 90 Ų | 90 | 39 Ų | 39 | 42% | 0.421 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -89.6 | -20.7 | 172.3 | -70.9 | 176.5 | 3.1 | 0 | 0 | 113.3 | N154 D156 P218 M219 | N154-Q221 VanDerWaalsContact CB-O 3.28Å; N154-Q221 WeakPolarHBondContact CB-O 3.23Å; N154-Q221 WeakPolarHBondContact ND2-CA 3.29Å; N154-Q221 PolarHBondContact ND2-O 3.33Å; D156-Q221 HydrophobicContact CB-CG 4.34Å; P218-Q221 HydrophobicContact CG-CB 4.3Å; P218-Q221 HydrophobicContact CG-CG 3.85Å; P218-Q221 PolarHBondContact O-N 3.45Å; M219-Q221 PolarHBondContact O-N 3.11Å |
| 222 | I | 98.3 | Very high | 97 | Very high | 11 Ų | 11 | 35.6 Ų | 35.6 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -96.4 | -41.7 | -176.7 | -56 | -60.6 | 0 | 0 | 0 | 112.1 | L149 A151 I210 H214 A217 M219 | L149-I222 HydrophobicContact CB-CG2 4.34Å; L149-I222 HydrophobicContact CD2-CG2 4.37Å; L149-I222 WeakPolarHBondContact CD2-O 3.18Å; A151-I222 WeakPolarHBondContact CB-O 3.45Å; A151-I222 PolarHBondContact N-O 3.2Å; I210-I222 HydrophobicContact CD1-CG2 3.98Å; I210-I222 HydrophobicContact CG1-CG2 4.39Å; I210-I222 HydrophobicContact CG2-CG1 4.48Å; I210-I222 HydrophobicContact CG2-CG2 3.86Å; H214-I222 HydrophobicContact CB-CD1 4.29Å; A217-I222 HydrophobicContact CB-CD1 4.02Å; A217-I222 HydrophobicContact CB-CG1 4.15Å; M219-I222 PolarHBondContact O-N 3.23Å; M219-I222 VanDerWaalsContact O-N 3.09Å |
| 223 | Y | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -94.2 | 163.1 | -175.2 | -74.2 | -96.1 | 0 | 0 | 0 | 112.6 | L149 N154 V155 L194 L199 I210 M219 H227 | L149-Y223 HydrophobicContact CD1-CD1 4.07Å; L149-Y223 HydrophobicContact CD1-CE1 3.45Å; L149-Y223 VanDerWaalsContact CD1-CE1 3.45Å; L149-Y223 HydrophobicContact CD1-CE2 4.1Å; L149-Y223 VanDerWaalsContact CD1-CZ 3.46Å; L149-Y223 HydrophobicContact CD2-CD1 3.73Å; L149-Y223 HydrophobicContact CD2-CE1 4.01Å; L149-Y223 HydrophobicContact CD2-CG 4.04Å; L149-Y223 HydrophobicContact CG-CE1 4.36Å; N154-Y223 CarbonylContact C-O 3.52Å; N154-Y223 WeakPolarHBondContact CA-O 3.31Å; N154-Y223 WeakPolarHBondContact CB-O 3.27Å; V155-Y223 PolarHBondContact N-O 2.98Å; L194-Y223 HydrophobicContact CD1-CD1 3.76Å; L194-Y223 HydrophobicContact CD1-CD2 3.76Å; L194-Y223 HydrophobicContact CD1-CE1 4.13Å; L194-Y223 HydrophobicContact CD1-CE2 4.16Å; L194-Y223 HydrophobicContact CD1-CG 3.55Å; L194-Y223 HydrophobicContact CD2-CD2 3.78Å; L194-Y223 HydrophobicContact CD2-CE1 4.28Å; L194-Y223 HydrophobicContact CD2-CE2 3.43Å; L194-Y223 VanDerWaalsContact CD2-CE2 3.43Å; L194-Y223 HydrophobicContact CD2-CG 4.37Å; L194-Y223 HydrophobicContact CG-CD2 4.44Å; L194-Y223 HydrophobicContact CG-CE2 4.44Å; L199-Y223 HydrophobicContact CD2-CE1 3.92Å; I210-Y223 HydrophobicContact CG2-CE2 4.48Å; M219-Y223 HydrophobicContact CB-CD2 4.25Å; M219-Y223 PolarHBondContact O-N 3.42Å; M219-Y223 HydrophobicContact SD-CD2 4.14Å; M219-Y223 HydrophobicContact SD-CE2 3.75Å; Y223-H227 HydrophobicContact CD1-CB 4.29Å; Y223-H227 AromaticContact CD1-CD2 3.81Å; Y223-H227 AromaticContact CD1-CE1 3.83Å; Y223-H227 AromaticContact CD1-CG 3.6Å; Y223-H227 AromaticContact CD1-ND1 3.63Å; Y223-H227 AromaticContact CD1-NE2 3.94Å | ||
| 224 | G | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -120.5 | -162.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | H227 L228 | G224-H227 PolarHBondContact O-N 3.46Å; G224-L228 PolarHBondContact O-N 3.48Å |
| 225 | A | 97.7 | Very high | 96.3 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.9 | -38.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | I158 L228 L229 L270 F271 | I158-A225 HydrophobicContact CD1-CB 3.7Å; A225-L228 WeakPolarHBondContact O-CB 3.48Å; A225-L228 PolarHBondContact O-N 3.26Å; A225-L229 PolarHBondContact O-N 3Å; A225-L270 HydrophobicContact CB-CB 3.88Å; A225-L270 HydrophobicContact CB-CD2 4.46Å; A225-L270 WeakPolarHBondContact CB-O 3.48Å; A225-F271 HydrophobicContact CB-CD1 4.2Å; A225-F271 HydrophobicContact CB-CE1 3.76Å; A225-F271 HydrophobicContact CB-CZ 4.19Å |
| 226 | P | 97.7 | Very high | 96 | Very high | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.032 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.4 | -49.6 | -178.9 | -25.3 | 35.6 | 0 | 0 | 0 | 112.3 | F147 L228 L229 R230 F271 Y276 | F147-P226 HydrophobicContact CD2-CG 3.93Å; F147-P226 HydrophobicContact CE2-CG 3.68Å; F147-P226 HydrophobicContact CZ-CG 4.46Å; P226-L228 VanDerWaalsContact C-N 3.3Å; P226-L228 PolarHBondContact O-N 3.04Å; P226-L229 WeakPolarHBondContact O-CB 3.36Å; P226-L229 PolarHBondContact O-N 2.83Å; P226-L229 VanDerWaalsContact O-N 3.11Å; P226-R230 WeakPolarHBondContact O-CG 3.2Å; P226-R230 PolarHBondContact O-N 3.35Å; P226-F271 HydrophobicContact CG-CD1 4.28Å; P226-Y276 VanDerWaalsContact CB-OH 3.22Å; P226-Y276 WeakPolarHBondContact CB-OH 3.14Å; P226-Y276 VanDerWaalsContact CG-OH 3.29Å; P226-Y276 WeakPolarHBondContact CG-OH 3.42Å |
| 227 | H | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.9 | -37.4 | 176.8 | -55.4 | 83.8 | 0 | 0 | 0 | 111.9 | F147 F190 L194 E203 Y223 G224 L229 R230 L231 | F147-H227 AromaticContact CG-CE1 3.92Å; F190-H227 HydrophobicContact CE2-CB 3.93Å; F190-H227 HydrophobicContact CZ-CB 3.92Å; L194-H227 HydrophobicContact CD1-CB 4.09Å; E203-H227 IonicContact OE1-CD2 3.25Å; E203-H227 IonicContact OE1-CE1 2.77Å; E203-H227 IonicContact OE1-NE2 2.92Å; E203-H227 PolarHBondContact OE1-NE2 2.91Å; Y223-H227 HydrophobicContact CD1-CB 4.29Å; Y223-H227 AromaticContact CD1-CD2 3.81Å; Y223-H227 AromaticContact CD1-CE1 3.83Å; Y223-H227 AromaticContact CD1-CG 3.6Å; Y223-H227 AromaticContact CD1-ND1 3.63Å; Y223-H227 AromaticContact CD1-NE2 3.94Å; G224-H227 PolarHBondContact O-N 3.46Å; H227-L229 VanDerWaalsContact C-N 3.34Å; H227-R230 PolarHBondContact CD2-NH1 3.4Å; H227-R230 WeakPolarHBondContact O-CB 3.29Å; H227-R230 PolarHBondContact O-N 3.28Å; H227-L231 PolarHBondContact O-N 3.42Å |
| 228 | L | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.1 | -39.9 | 174 | -177.3 | 59.8 | 0 | 0 | 0 | 111.7 | V155 I158 I186 F190 G224 A225 P226 R230 L231 F232 F259 | V155-L228 HydrophobicContact CG1-CD1 3.84Å; V155-L228 HydrophobicContact CG1-CD2 4Å; V155-L228 HydrophobicContact CG1-CG 4.39Å; V155-L228 HydrophobicContact CG2-CB 3.85Å; V155-L228 HydrophobicContact CG2-CD1 4.42Å; V155-L228 HydrophobicContact CG2-CD2 4.26Å; V155-L228 HydrophobicContact CG2-CG 4.4Å; I158-L228 HydrophobicContact CG2-CD2 4.1Å; I186-L228 HydrophobicContact CG2-CD1 3.86Å; F190-L228 HydrophobicContact CD2-CD1 4.09Å; F190-L228 HydrophobicContact CE2-CB 4.37Å; G224-L228 PolarHBondContact O-N 3.48Å; A225-L228 WeakPolarHBondContact O-CB 3.48Å; A225-L228 PolarHBondContact O-N 3.26Å; P226-L228 VanDerWaalsContact C-N 3.3Å; P226-L228 PolarHBondContact O-N 3.04Å; L228-R230 VanDerWaalsContact C-N 3.34Å; L228-R230 PolarHBondContact O-N 2.83Å; L228-L231 HydrophobicContact CD1-CD2 4.4Å; L228-L231 VanDerWaalsContact O-CB 3.26Å; L228-L231 WeakPolarHBondContact O-CB 3.29Å; L228-L231 PolarHBondContact O-N 2.74Å; L228-F232 HydrophobicContact CD1-CE2 4.18Å; L228-F232 HydrophobicContact CG-CE2 4.26Å; L228-F232 VanDerWaalsContact O-CD2 3.24Å; L228-F232 WeakPolarHBondContact O-CD2 3.14Å; L228-F259 HydrophobicContact CD2-CE1 4.09Å; L228-F259 HydrophobicContact CD2-CZ 3.89Å; L228-F259 HydrophobicContact CG-CE1 4.46Å |
| 229 | L | 97.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.5 | -37.5 | 176.1 | -175.6 | 58.4 | 0 | 0 | 0 | 111.7 | L129 L133 A225 P226 H227 L231 F232 L260 L263 F271 | L129-L229 HydrophobicContact CB-CD1 4.29Å; L129-L229 HydrophobicContact CB-CD2 4.18Å; L129-L229 HydrophobicContact CD1-CD1 3.85Å; L129-L229 HydrophobicContact CD2-CD2 4.31Å; L133-L229 HydrophobicContact CD1-CD2 4.47Å; L133-L229 HydrophobicContact CD1-CG 4.37Å; L133-L229 HydrophobicContact CD2-CD2 4.13Å; L133-L229 HydrophobicContact CD2-CG 3.93Å; L133-L229 HydrophobicContact CG-CD2 3.84Å; L133-L229 HydrophobicContact CG-CG 4.03Å; A225-L229 PolarHBondContact O-N 3Å; P226-L229 WeakPolarHBondContact O-CB 3.36Å; P226-L229 PolarHBondContact O-N 2.83Å; P226-L229 VanDerWaalsContact O-N 3.11Å; H227-L229 VanDerWaalsContact C-N 3.34Å; L229-L231 PolarHBondContact O-N 2.93Å; L229-F232 PolarHBondContact O-N 3.29Å; L229-L260 HydrophobicContact CD1-CD2 3.95Å; L229-L263 HydrophobicContact CD1-CD1 4.29Å; L229-F271 HydrophobicContact CB-CE1 4.01Å; L229-F271 HydrophobicContact CB-CZ 4.17Å; L229-F271 HydrophobicContact CD2-CE1 3.82Å; L229-F271 HydrophobicContact CD2-CE2 4.5Å; L229-F271 HydrophobicContact CD2-CZ 3.75Å; L229-F271 HydrophobicContact CG-CZ 4.46Å |
| 230 | R | 97.5 | Very high | 93.8 | Very high | 11 Ų | 11 | 24 Ų | 24 | 4% | 0.042 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59 | -31.1 | 173.1 | -61.8 | 178.2 | -164.1 | 168.1 | 5.8 | 112.7 | L133 D136 L198 Y200 E203 P226 H227 L228 F232 V233 R234 | L133-R230 HydrophobicContact CD2-CG 4.4Å; D136-R230 IonicContact OD1-CZ 2.61Å; D136-R230 IonicContact OD1-NE 2.71Å; D136-R230 IonicContact OD1-NH2 2.6Å; D136-R230 PolarHBondContact OD1-NH2 3.08Å; D136-R230 IonicContact OD2-CZ 3.17Å; D136-R230 IonicContact OD2-NE 3.12Å; D136-R230 PolarHBondContact OD2-NE 2.93Å; D136-R230 IonicContact OD2-NH2 2.83Å; D136-R230 PolarHBondContact OD2-NH2 3.46Å; L198-R230 WeakPolarHBondContact O-CD 3.46Å; L198-R230 PolarHBondContact O-NH1 3.47Å; Y200-R230 VanDerWaalsContact CE2-CZ 3.4Å; E203-R230 VanDerWaalsContact CD-NH1 3.3Å; E203-R230 IonicContact OE1-CZ 2.73Å; E203-R230 IonicContact OE1-NH1 3.66Å; E203-R230 PolarHBondContact OE1-NH1 3.31Å; E203-R230 IonicContact OE1-NH2 3.04Å; E203-R230 PolarHBondContact OE1-NH2 3.21Å; E203-R230 IonicContact OE2-CZ 2.65Å; E203-R230 IonicContact OE2-NH1 3.83Å; E203-R230 PolarHBondContact OE2-NH1 3.45Å; E203-R230 IonicContact OE2-NH2 3.45Å; P226-R230 WeakPolarHBondContact O-CG 3.2Å; P226-R230 PolarHBondContact O-N 3.35Å; H227-R230 PolarHBondContact CD2-NH1 3.4Å; H227-R230 WeakPolarHBondContact O-CB 3.29Å; H227-R230 PolarHBondContact O-N 3.28Å; L228-R230 VanDerWaalsContact C-N 3.34Å; L228-R230 PolarHBondContact O-N 2.83Å; R230-F232 VanDerWaalsContact C-N 3.32Å; R230-F232 PolarHBondContact O-N 3.3Å; R230-V233 WeakPolarHBondContact O-CB 3.22Å; R230-V233 PolarHBondContact O-N 3.17Å; R230-R234 PolarHBondContact O-N 3.1Å |
| 231 | L | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.4 | -44.8 | 175.5 | 177.9 | 62.4 | 0 | 0 | 0 | 111.4 | I186 F190 M193 L198 H227 L228 L229 V233 R234 I235 | I186-L231 HydrophobicContact CG2-CD2 4.16Å; F190-L231 HydrophobicContact CB-CD2 4.02Å; F190-L231 HydrophobicContact CD2-CB 4.48Å; F190-L231 HydrophobicContact CD2-CD2 4.34Å; M193-L231 HydrophobicContact CB-CD1 4.22Å; M193-L231 HydrophobicContact CE-CD1 4.23Å; M193-L231 HydrophobicContact CG-CD1 4.38Å; M193-L231 HydrophobicContact SD-CD1 3.43Å; M193-L231 WeakPolarHBondContact SD-CD1 3.49Å; L198-L231 HydrophobicContact CD1-CB 3.95Å; L198-L231 HydrophobicContact CD1-CD1 4.24Å; L198-L231 HydrophobicContact CD2-CB 4.36Å; L198-L231 HydrophobicContact CD2-CD1 4.36Å; H227-L231 PolarHBondContact O-N 3.42Å; L228-L231 HydrophobicContact CD1-CD2 4.4Å; L228-L231 VanDerWaalsContact O-CB 3.26Å; L228-L231 WeakPolarHBondContact O-CB 3.29Å; L228-L231 PolarHBondContact O-N 2.74Å; L229-L231 PolarHBondContact O-N 2.93Å; L231-V233 PolarHBondContact O-N 2.8Å; L231-R234 CarbonylContact O-C 3.56Å; L231-R234 PolarHBondContact O-N 3.02Å; L231-I235 HydrophobicContact CD1-CB 4.33Å; L231-I235 HydrophobicContact CG-CB 4.44Å; L231-I235 HydrophobicContact CG-CD1 4.45Å; L231-I235 WeakPolarHBondContact O-CB 3.48Å; L231-I235 PolarHBondContact O-N 3.19Å |
| 232 | F | 96.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.6 | -20.8 | -177.8 | -66.5 | -89.3 | 0 | 0 | 0 | 113.5 | V123 I125 I186 L228 L229 R230 L256 F259 L260 | V123-F232 HydrophobicContact CG1-CD1 4.47Å; I125-F232 HydrophobicContact CD1-CB 3.63Å; I186-F232 HydrophobicContact CD1-CZ 4.13Å; I186-F232 HydrophobicContact CG1-CZ 4.34Å; I186-F232 HydrophobicContact CG2-CZ 4.22Å; L228-F232 HydrophobicContact CD1-CE2 4.18Å; L228-F232 HydrophobicContact CG-CE2 4.26Å; L228-F232 VanDerWaalsContact O-CD2 3.24Å; L228-F232 WeakPolarHBondContact O-CD2 3.14Å; L229-F232 PolarHBondContact O-N 3.29Å; R230-F232 VanDerWaalsContact C-N 3.32Å; R230-F232 PolarHBondContact O-N 3.3Å; F232-L256 HydrophobicContact CE1-CB 4.37Å; F232-L256 HydrophobicContact CE1-CD2 3.86Å; F232-F259 HydrophobicContact CE1-CD1 4.01Å; F232-F259 AromaticContact CE2-CD1 3.82Å; F232-F259 HydrophobicContact CE2-CD1 3.82Å; F232-F259 AromaticContact CE2-CE1 3.69Å; F232-F259 HydrophobicContact CE2-CE1 3.69Å; F232-F259 AromaticContact CZ-CD1 3.3Å; F232-F259 HydrophobicContact CZ-CD1 3.3Å; F232-F259 AromaticContact CZ-CE1 3.58Å; F232-F259 HydrophobicContact CZ-CE1 3.58Å; F232-F259 HydrophobicContact CZ-CG 4.41Å; F232-L260 HydrophobicContact CB-CD1 4.24Å; F232-L260 HydrophobicContact CB-CD2 3.84Å; F232-L260 HydrophobicContact CB-CG 4.47Å; F232-L260 HydrophobicContact CD1-CD1 3.86Å; F232-L260 HydrophobicContact CD1-CD2 3.96Å; F232-L260 HydrophobicContact CD1-CG 3.85Å; F232-L260 HydrophobicContact CD2-CD2 3.96Å; F232-L260 HydrophobicContact CE1-CG 4.31Å; F232-L260 HydrophobicContact CG-CD1 4.21Å; F232-L260 HydrophobicContact CG-CD2 3.62Å; F232-L260 HydrophobicContact CG-CG 4.06Å |
| 233 | V | 93.5 | Very high | 91.6 | Very high | 77 Ų | 77 | 33.6 Ų | 33.6 | 47% | 0.467 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -76.2 | -24.9 | 172.1 | -174 | 0 | 0 | 0 | 0 | 111.9 | I125 L133 R230 L231 | I125-V233 HydrophobicContact CD1-CG2 4.4Å; I125-V233 HydrophobicContact CG1-CG2 4.42Å; L133-V233 HydrophobicContact CD1-CG2 3.66Å; L133-V233 HydrophobicContact CD2-CG2 4.04Å; R230-V233 WeakPolarHBondContact O-CB 3.22Å; R230-V233 PolarHBondContact O-N 3.17Å; L231-V233 PolarHBondContact O-N 2.8Å |
| 234 | R | 91.3 | Very high | 90.9 | Very high | 137 Ų | 137 | 36.5 Ų | 36.5 | 52% | 0.517 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -103.4 | -32 | -177.8 | -64.3 | -58.7 | -172.1 | -169.9 | -0.8 | 114.3 | M193 L198 R230 L231 G236 A237 | M193-R234 HydrophobicContact CE-CB 3.79Å; L198-R234 HydrophobicContact CD2-CB 4.24Å; L198-R234 HydrophobicContact CD2-CG 4.05Å; R230-R234 PolarHBondContact O-N 3.1Å; L231-R234 CarbonylContact O-C 3.56Å; L231-R234 PolarHBondContact O-N 3.02Å; R234-G236 PolarHBondContact O-N 3.21Å; R234-A237 PolarHBondContact O-N 2.72Å |
| 235 | I | 89.6 | Confident | 90.5 | Very high | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.8 | -29.2 | -171.1 | -160.1 | 171.1 | 0 | 0 | 0 | 113.1 | V123 Y189 L231 A237 M238 L239 | V123-I235 HydrophobicContact CG2-CG2 3.99Å; Y189-I235 HydrophobicContact CD1-CD1 4.15Å; Y189-I235 HydrophobicContact CD1-CG1 4.12Å; Y189-I235 HydrophobicContact CE1-CG1 4.41Å; Y189-I235 HydrophobicContact CG-CD1 4.29Å; L231-I235 HydrophobicContact CD1-CB 4.33Å; L231-I235 HydrophobicContact CG-CB 4.44Å; L231-I235 HydrophobicContact CG-CD1 4.45Å; L231-I235 WeakPolarHBondContact O-CB 3.48Å; L231-I235 PolarHBondContact O-N 3.19Å; I235-A237 VanDerWaalsContact C-N 3.28Å; I235-A237 PolarHBondContact O-N 2.81Å; I235-M238 WeakPolarHBondContact O-CA 3.46Å; I235-M238 WeakPolarHBondContact O-CB 3.35Å; I235-M238 PolarHBondContact O-N 3.16Å; I235-L239 HydrophobicContact CG1-CG 4.4Å; I235-L239 WeakPolarHBondContact O-CG 3.42Å; I235-L239 PolarHBondContact O-N 3.37Å |
| 236 | G | 87.3 | Confident | 90.1 | Very high | 9 Ų | 9 | 47.8 Ų | 47.8 | 9% | 0.093 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.2 | -37.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V121 R234 M238 | V121-G236 WeakPolarHBondContact CB-O 3.44Å; V121-G236 CarbonylContact O-C 3.5Å; V121-G236 WeakPolarHBondContact O-CA 3.14Å; R234-G236 PolarHBondContact O-N 3.21Å; G236-M238 VanDerWaalsContact C-N 3.33Å |
| 237 | A | 86 | Confident | 89.8 | Confident | 52 Ų | 52 | 55.8 Ų | 55.8 | 43% | 0.43 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.3 | -30.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R234 I235 Y241 | R234-A237 PolarHBondContact O-N 2.72Å; I235-A237 VanDerWaalsContact C-N 3.28Å; I235-A237 PolarHBondContact O-N 2.81Å; A237-Y241 WeakPolarHBondContact O-CD2 3.4Å; A237-Y241 WeakPolarHBondContact O-CE2 3.44Å |
| 238 | M | 82.8 | Confident | 89.4 | Confident | 56 Ų | 56 | 58.5 Ų | 58.5 | 28% | 0.276 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -76.6 | -34.8 | 178.9 | -60.9 | -55.5 | -55.4 | 0 | 0 | 112.6 | Y189 M193 I235 G236 A240 Y241 T242 | Y189-M238 HydrophobicContact CE1-CB 4.07Å; M193-M238 HydrophobicContact CE-CG 3.51Å; M193-M238 HydrophobicContact CE-SD 4.3Å; M193-M238 HydrophobicContact SD-CG 3.9Å; I235-M238 WeakPolarHBondContact O-CA 3.46Å; I235-M238 WeakPolarHBondContact O-CB 3.35Å; I235-M238 PolarHBondContact O-N 3.16Å; G236-M238 VanDerWaalsContact C-N 3.33Å; M238-A240 PolarHBondContact O-N 2.92Å; M238-Y241 PolarHBondContact O-N 3.18Å; M238-T242 PolarHBondContact O-OG1 2.93Å |
| 239 | L | 85.7 | Confident | 89.1 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 5% | 0.047 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62 | -27.9 | 177.4 | -68.3 | 176.3 | 0 | 0 | 0 | 112.6 | V121 V123 I235 Y241 T242 L252 L256 | V121-L239 HydrophobicContact CB-CB 3.94Å; V121-L239 HydrophobicContact CG1-CB 4.07Å; V121-L239 HydrophobicContact CG1-CD1 3.86Å; V121-L239 HydrophobicContact CG2-CB 3.98Å; V123-L239 HydrophobicContact CG2-CD1 4.36Å; I235-L239 HydrophobicContact CG1-CG 4.4Å; I235-L239 WeakPolarHBondContact O-CG 3.42Å; I235-L239 PolarHBondContact O-N 3.37Å; L239-Y241 PolarHBondContact O-N 3.29Å; L239-T242 PolarHBondContact O-N 3.18Å; L239-T242 VanDerWaalsContact O-N 3.08Å; L239-L252 HydrophobicContact CD2-CD2 3.73Å; L239-L256 HydrophobicContact CD1-CD1 3.98Å |
| 240 | A | 81.7 | Confident | 88.8 | Confident | 31 Ų | 31 | 62.3 Ų | 62.3 | 26% | 0.256 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.6 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | M119 M238 | M119-A240 VanDerWaalsContact O-CB 3.27Å; M119-A240 WeakPolarHBondContact O-CB 3.47Å; M238-A240 PolarHBondContact O-N 2.92Å |
| 241 | Y | 82.3 | Confident | 88.5 | Confident | 128 Ų | 128 | 66.8 Ų | 66.8 | 50% | 0.502 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -1.9 | 176.3 | -57.4 | -81.5 | 0 | 0 | 0 | 113.1 | F115 A237 M238 L239 | F115-Y241 HydrophobicContact CD1-CE1 4.39Å; F115-Y241 HydrophobicContact CE1-CD1 4.31Å; A237-Y241 WeakPolarHBondContact O-CD2 3.4Å; A237-Y241 WeakPolarHBondContact O-CE2 3.44Å; M238-Y241 PolarHBondContact O-N 3.18Å; L239-Y241 PolarHBondContact O-N 3.29Å |
| 242 | T | 83.9 | Confident | 88.3 | Confident | 44 Ų | 44 | 68.7 Ų | 68.7 | 27% | 0.27 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -94.8 | 126.7 | 179.7 | -49.9 | 0 | 0 | 0 | 0 | 109.2 | Y189 M238 L239 L244 | Y189-T242 PolarHBondContact OH-OG1 2.94Å; M238-T242 PolarHBondContact O-OG1 2.93Å; L239-T242 PolarHBondContact O-N 3.18Å; L239-T242 VanDerWaalsContact O-N 3.08Å; T242-L244 VanDerWaalsContact C-N 3.28Å; T242-L244 HydrophobicContact CG2-CD1 4.23Å; T242-L244 HydrophobicContact CG2-CD2 4.12Å; T242-L244 HydrophobicContact CG2-CG 3.83Å; T242-L244 PolarHBondContact O-N 2.96Å |
| 243 | P | 82.2 | Confident | 88.2 | Confident | 132 Ų | 132 | 69.9 Ų | 69.9 | 86% | 0.857 | 38% | 0.377 | S | S | * | . | trans | -75.3 | 78.4 | -178.4 | 31.4 | -35.6 | 0 | 0 | 0 | 111.2 | ||||
| 244 | L | 85 | Confident | 88.2 | Confident | 61 Ų | 61 | 68 Ų | 68 | 32% | 0.319 | 37% | 0.373 | S | S | . | . | trans | -106.5 | 138.1 | 175.3 | -60.1 | 177.9 | 0 | 0 | 0 | 110.2 | T242 L249 L252 | T242-L244 VanDerWaalsContact C-N 3.28Å; T242-L244 HydrophobicContact CG2-CD1 4.23Å; T242-L244 HydrophobicContact CG2-CD2 4.12Å; T242-L244 HydrophobicContact CG2-CG 3.83Å; T242-L244 PolarHBondContact O-N 2.96Å; L244-L249 HydrophobicContact CB-CB 4.25Å; L244-L249 HydrophobicContact CD1-CD1 4.11Å; L244-L252 HydrophobicContact CD1-CD2 3.7Å | ||
| 245 | D | 89.4 | Confident | 88.4 | Confident | 83 Ų | 83 | 63.4 Ų | 63.4 | 44% | 0.444 | 36% | 0.356 | S | S | . | . | trans | -74.3 | 161.5 | 167 | 76.9 | -71.8 | 0 | 0 | 0 | 111 | K247 S248 L249 | D245-K247 PolarHBondContact O-N 3.04Å; D245-K247 VanDerWaalsContact O-N 3.13Å; D245-K247 VanDerWaalsContact OD2-CB 3.28Å; D245-K247 WeakPolarHBondContact OD2-CB 3.49Å; D245-K247 PolarHBondContact OD2-N 2.76Å; D245-S248 PolarHBondContact O-N 3.26Å; D245-S248 WeakPolarHBondContact OD1-CB 3Å; D245-S248 PolarHBondContact OD1-N 3.14Å; D245-S248 PolarHBondContact OD1-OG 3.13Å; D245-S248 PolarHBondContact OD2-N 2.87Å; D245-L249 WeakPolarHBondContact O-CB 3.45Å; D245-L249 PolarHBondContact O-N 3.21Å | ||
| 246 | E | 88.3 | Confident | 88.7 | Confident | 158 Ų | 158 | 63.3 Ų | 63.3 | 74% | 0.738 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -55.3 | -34.5 | -175.9 | -63.3 | -179 | 174.1 | 0 | 0 | 113.6 | A250 | E246-A250 VanDerWaalsContact O-CB 3.27Å; E246-A250 WeakPolarHBondContact O-CB 3.18Å; E246-A250 PolarHBondContact O-N 3.32Å |
| 247 | K | 91.1 | Very high | 89.1 | Confident | 174 Ų | 174 | 65.7 Ų | 65.7 | 76% | 0.757 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -74.6 | -45.7 | -178.7 | -58.3 | 174.3 | -179.6 | 172.2 | 0 | 110.9 | D245 L249 A250 L251 | D245-K247 PolarHBondContact O-N 3.04Å; D245-K247 VanDerWaalsContact O-N 3.13Å; D245-K247 VanDerWaalsContact OD2-CB 3.28Å; D245-K247 WeakPolarHBondContact OD2-CB 3.49Å; D245-K247 PolarHBondContact OD2-N 2.76Å; K247-L249 VanDerWaalsContact C-N 3.33Å; K247-A250 PolarHBondContact O-N 2.72Å; K247-L251 WeakPolarHBondContact O-CB 3.2Å; K247-L251 PolarHBondContact O-N 3.22Å |
| 248 | S | 91.2 | Very high | 89.5 | Confident | 56 Ų | 56 | 65.5 Ų | 65.5 | 39% | 0.392 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 175.7 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | D245 L251 L252 | D245-S248 PolarHBondContact O-N 3.26Å; D245-S248 WeakPolarHBondContact OD1-CB 3Å; D245-S248 PolarHBondContact OD1-N 3.14Å; D245-S248 PolarHBondContact OD1-OG 3.13Å; D245-S248 PolarHBondContact OD2-N 2.87Å; S248-L251 PolarHBondContact O-N 3.03Å; S248-L252 WeakPolarHBondContact O-CB 3.27Å; S248-L252 PolarHBondContact O-N 3.03Å |
| 249 | L | 90.8 | Very high | 90.2 | Very high | 19 Ų | 19 | 62.9 Ų | 62.9 | 10% | 0.099 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 175.2 | -177.9 | 62.6 | 0 | 0 | 0 | 111.9 | M119 V121 L244 D245 K247 L251 L252 L253 | M119-L249 HydrophobicContact CE-CD2 3.9Å; V121-L249 HydrophobicContact CG1-CD1 3.91Å; V121-L249 HydrophobicContact CG2-CD1 4.16Å; V121-L249 HydrophobicContact CG2-CD2 4.1Å; L244-L249 HydrophobicContact CB-CB 4.25Å; L244-L249 HydrophobicContact CD1-CD1 4.11Å; D245-L249 WeakPolarHBondContact O-CB 3.45Å; D245-L249 PolarHBondContact O-N 3.21Å; K247-L249 VanDerWaalsContact C-N 3.33Å; L249-L251 VanDerWaalsContact C-N 3.34Å; L249-L251 PolarHBondContact O-N 3.28Å; L249-L252 PolarHBondContact O-N 2.83Å; L249-L253 HydrophobicContact CD1-CD1 4.41Å; L249-L253 HydrophobicContact CG-CD1 4.18Å; L249-L253 WeakPolarHBondContact O-CB 3.34Å; L249-L253 VanDerWaalsContact O-CG 3.31Å; L249-L253 WeakPolarHBondContact O-CG 3.24Å; L249-L253 PolarHBondContact O-N 3.28Å |
| 250 | A | 91.4 | Very high | 90.7 | Very high | 63 Ų | 63 | 62.5 Ų | 62.5 | 52% | 0.521 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E246 K247 G254 | E246-A250 VanDerWaalsContact O-CB 3.27Å; E246-A250 WeakPolarHBondContact O-CB 3.18Å; E246-A250 PolarHBondContact O-N 3.32Å; K247-A250 PolarHBondContact O-N 2.72Å; A250-G254 PolarHBondContact O-N 2.87Å |
| 251 | L | 92.4 | Very high | 91.5 | Very high | 105 Ų | 105 | 67 Ų | 67 | 55% | 0.55 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 176.3 | -177 | 63.6 | 0 | 0 | 0 | 111.7 | K247 S248 L249 G254 Y255 | K247-L251 WeakPolarHBondContact O-CB 3.2Å; K247-L251 PolarHBondContact O-N 3.22Å; S248-L251 PolarHBondContact O-N 3.03Å; L249-L251 VanDerWaalsContact C-N 3.34Å; L249-L251 PolarHBondContact O-N 3.28Å; L251-G254 WeakPolarHBondContact O-CA 3.46Å; L251-G254 PolarHBondContact O-N 2.84Å; L251-G254 VanDerWaalsContact O-N 3.12Å; L251-Y255 HydrophobicContact CD1-CD2 4.35Å; L251-Y255 HydrophobicContact CD1-CE2 3.73Å; L251-Y255 HydrophobicContact CD2-CE2 4.41Å; L251-Y255 HydrophobicContact CG-CD2 4.22Å; L251-Y255 HydrophobicContact CG-CE2 3.8Å; L251-Y255 VanDerWaalsContact O-CD2 3.29Å; L251-Y255 WeakPolarHBondContact O-CD2 3.48Å; L251-Y255 PolarHBondContact O-N 3.46Å; L251-Y255 VanDerWaalsContact O-N 3.13Å |
| 252 | L | 92.9 | Very high | 92.1 | Very high | 40 Ų | 40 | 61.7 Ų | 61.7 | 21% | 0.209 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.8 | -48.8 | 175.8 | 177 | 60.5 | 0 | 0 | 0 | 111.2 | V182 L239 L244 S248 L249 G254 Y255 L256 | V182-L252 HydrophobicContact CG1-CD1 4.4Å; V182-L252 HydrophobicContact CG2-CD1 4.01Å; L239-L252 HydrophobicContact CD2-CD2 3.73Å; L244-L252 HydrophobicContact CD1-CD2 3.7Å; S248-L252 WeakPolarHBondContact O-CB 3.27Å; S248-L252 PolarHBondContact O-N 3.03Å; L249-L252 PolarHBondContact O-N 2.83Å; L252-G254 PolarHBondContact O-N 3.13Å; L252-Y255 PolarHBondContact O-N 2.92Å; L252-Y255 VanDerWaalsContact O-N 3.09Å; L252-L256 HydrophobicContact CD1-CD1 4.31Å; L252-L256 HydrophobicContact CD1-CD2 4.44Å; L252-L256 HydrophobicContact CD1-CG 4.16Å; L252-L256 HydrophobicContact CG-CD1 4.04Å; L252-L256 HydrophobicContact CG-CG 4.31Å; L252-L256 WeakPolarHBondContact O-CG 3.46Å; L252-L256 PolarHBondContact O-N 3.35Å |
| 253 | L | 93.4 | Very high | 92.8 | Very high | 27 Ų | 27 | 59.6 Ų | 59.6 | 14% | 0.141 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.8 | -35.6 | 175.1 | -74.3 | 169.3 | 0 | 0 | 0 | 112.3 | V121 V123 L249 L256 H257 | V121-L253 HydrophobicContact CG1-CD1 4.04Å; V121-L253 HydrophobicContact CG1-CD2 3.85Å; V121-L253 HydrophobicContact CG1-CG 4.29Å; V123-L253 HydrophobicContact CG2-CD2 4Å; L249-L253 HydrophobicContact CD1-CD1 4.41Å; L249-L253 HydrophobicContact CG-CD1 4.18Å; L249-L253 WeakPolarHBondContact O-CB 3.34Å; L249-L253 VanDerWaalsContact O-CG 3.31Å; L249-L253 WeakPolarHBondContact O-CG 3.24Å; L249-L253 PolarHBondContact O-N 3.28Å; L253-L256 PolarHBondContact O-N 3.07Å; L253-H257 WeakPolarHBondContact O-CB 3.24Å; L253-H257 PolarHBondContact O-CE1 3.39Å; L253-H257 PolarHBondContact O-N 3.19Å; L253-H257 PolarHBondContact O-ND1 3.35Å |
| 254 | G | 93.9 | Very high | 93.4 | Very high | 38 Ų | 38 | 54 Ų | 54 | 39% | 0.392 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -56.5 | -49.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A250 L251 L252 D258 | A250-G254 PolarHBondContact O-N 2.87Å; L251-G254 WeakPolarHBondContact O-CA 3.46Å; L251-G254 PolarHBondContact O-N 2.84Å; L251-G254 VanDerWaalsContact O-N 3.12Å; L252-G254 PolarHBondContact O-N 3.13Å; G254-D258 WeakPolarHBondContact O-CB 3.4Å; G254-D258 PolarHBondContact O-N 3.29Å |
| 255 | Y | 94.8 | Very high | 94 | Very high | 41 Ų | 41 | 59.4 Ų | 59.4 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 177 | -71 | -67.6 | 0 | 0 | 0 | 113.1 | A178 V179 V182 L251 L252 H257 D258 F259 | A178-Y255 HydrophobicContact CB-CE2 3.96Å; A178-Y255 WeakPolarHBondContact CB-OH 3.48Å; V179-Y255 HydrophobicContact CG2-CD1 4.22Å; V179-Y255 HydrophobicContact CG2-CE1 3.87Å; V182-Y255 HydrophobicContact CG2-CD2 3.99Å; V182-Y255 HydrophobicContact CG2-CG 4.1Å; L251-Y255 HydrophobicContact CD1-CD2 4.35Å; L251-Y255 HydrophobicContact CD1-CE2 3.73Å; L251-Y255 HydrophobicContact CD2-CE2 4.41Å; L251-Y255 HydrophobicContact CG-CD2 4.22Å; L251-Y255 HydrophobicContact CG-CE2 3.8Å; L251-Y255 VanDerWaalsContact O-CD2 3.29Å; L251-Y255 WeakPolarHBondContact O-CD2 3.48Å; L251-Y255 PolarHBondContact O-N 3.46Å; L251-Y255 VanDerWaalsContact O-N 3.13Å; L252-Y255 PolarHBondContact O-N 2.92Å; L252-Y255 VanDerWaalsContact O-N 3.09Å; Y255-H257 PolarHBondContact O-N 2.86Å; Y255-D258 PolarHBondContact O-N 3.42Å; Y255-F259 PolarHBondContact O-N 2.73Å |
| 256 | L | 95.5 | Very high | 94.3 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 177.1 | -63.5 | 175.6 | 0 | 0 | 0 | 111.7 | V182 I186 F232 L239 L252 L253 F259 L260 | V182-L256 HydrophobicContact CG1-CD2 4.29Å; I186-L256 HydrophobicContact CD1-CD2 4.05Å; I186-L256 HydrophobicContact CG1-CD2 4.04Å; F232-L256 HydrophobicContact CE1-CB 4.37Å; F232-L256 HydrophobicContact CE1-CD2 3.86Å; L239-L256 HydrophobicContact CD1-CD1 3.98Å; L252-L256 HydrophobicContact CD1-CD1 4.31Å; L252-L256 HydrophobicContact CD1-CD2 4.44Å; L252-L256 HydrophobicContact CD1-CG 4.16Å; L252-L256 HydrophobicContact CG-CD1 4.04Å; L252-L256 HydrophobicContact CG-CG 4.31Å; L252-L256 WeakPolarHBondContact O-CG 3.46Å; L252-L256 PolarHBondContact O-N 3.35Å; L253-L256 PolarHBondContact O-N 3.07Å; L256-F259 PolarHBondContact O-N 2.92Å; L256-L260 WeakPolarHBondContact O-CB 3.26Å; L256-L260 WeakPolarHBondContact O-CG 3.49Å; L256-L260 PolarHBondContact O-N 3.09Å |
| 257 | H | 95.8 | Very high | 94.6 | Very high | 59 Ų | 59 | 51.2 Ų | 51.2 | 27% | 0.273 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.5 | -31.4 | 176.3 | -64.5 | 154.5 | 0 | 0 | 0 | 112.8 | L253 Y255 K261 | L253-H257 WeakPolarHBondContact O-CB 3.24Å; L253-H257 PolarHBondContact O-CE1 3.39Å; L253-H257 PolarHBondContact O-N 3.19Å; L253-H257 PolarHBondContact O-ND1 3.35Å; Y255-H257 PolarHBondContact O-N 2.86Å; H257-K261 VanDerWaalsContact O-CG 3.3Å; H257-K261 WeakPolarHBondContact O-CG 3.43Å; H257-K261 PolarHBondContact O-N 3.41Å |
| 258 | D | 95.4 | Very high | 94.6 | Very high | 49 Ų | 49 | 46.9 Ų | 46.9 | 26% | 0.262 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70 | -40.9 | 172.9 | 179.9 | 98.1 | 0 | 0 | 0 | 112 | Y162 K166 G254 Y255 L260 K261 Y262 | Y162-D258 WeakPolarHBondContact CE2-OD2 3.37Å; Y162-D258 PolarHBondContact OH-OD2 2.83Å; Y162-D258 VanDerWaalsContact OH-OD2 3.05Å; K166-D258 WeakPolarHBondContact CE-OD2 3.37Å; K166-D258 IonicContact NZ-OD1 3.77Å; K166-D258 PolarHBondContact NZ-OD1 3.26Å; K166-D258 IonicContact NZ-OD2 2.96Å; K166-D258 PolarHBondContact NZ-OD2 2.91Å; G254-D258 WeakPolarHBondContact O-CB 3.4Å; G254-D258 PolarHBondContact O-N 3.29Å; Y255-D258 PolarHBondContact O-N 3.42Å; D258-L260 PolarHBondContact O-N 3.09Å; D258-K261 WeakPolarHBondContact O-CB 3.48Å; D258-K261 PolarHBondContact O-N 2.98Å; D258-K261 VanDerWaalsContact O-N 3.13Å; D258-Y262 PolarHBondContact O-N 3.15Å |
| 259 | F | 96.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 171 | -177 | -101.5 | 0 | 0 | 0 | 112.1 | I158 L159 Y162 I186 L228 F232 Y255 L256 K261 Y262 L263 | I158-F259 HydrophobicContact CG2-CZ 4.2Å; L159-F259 HydrophobicContact CD2-CE2 3.81Å; L159-F259 HydrophobicContact CD2-CZ 3.75Å; Y162-F259 AromaticContact CD1-CD2 3.58Å; Y162-F259 HydrophobicContact CD1-CD2 3.58Å; Y162-F259 HydrophobicContact CD1-CE2 4.06Å; Y162-F259 AromaticContact CD2-CD2 3.66Å; Y162-F259 HydrophobicContact CD2-CD2 3.66Å; Y162-F259 HydrophobicContact CD2-CE2 4.28Å; Y162-F259 HydrophobicContact CE1-CB 4.47Å; Y162-F259 AromaticContact CE1-CD2 3.87Å; Y162-F259 HydrophobicContact CE1-CD2 3.87Å; Y162-F259 HydrophobicContact CE2-CB 4.21Å; Y162-F259 AromaticContact CE2-CD2 3.94Å; Y162-F259 HydrophobicContact CE2-CD2 3.94Å; Y162-F259 AromaticContact CG-CD2 3.46Å; Y162-F259 HydrophobicContact CG-CD2 3.46Å; Y162-F259 VanDerWaalsContact CG-CD2 3.46Å; Y162-F259 AromaticContact CG-CE2 3.79Å; Y162-F259 HydrophobicContact CG-CE2 3.79Å; I186-F259 HydrophobicContact CD1-CD1 4.41Å; I186-F259 HydrophobicContact CD1-CG 4.4Å; L228-F259 HydrophobicContact CD2-CE1 4.09Å; L228-F259 HydrophobicContact CD2-CZ 3.89Å; L228-F259 HydrophobicContact CG-CE1 4.46Å; F232-F259 HydrophobicContact CE1-CD1 4.01Å; F232-F259 AromaticContact CE2-CD1 3.82Å; F232-F259 HydrophobicContact CE2-CD1 3.82Å; F232-F259 AromaticContact CE2-CE1 3.69Å; F232-F259 HydrophobicContact CE2-CE1 3.69Å; F232-F259 AromaticContact CZ-CD1 3.3Å; F232-F259 HydrophobicContact CZ-CD1 3.3Å; F232-F259 AromaticContact CZ-CE1 3.58Å; F232-F259 HydrophobicContact CZ-CE1 3.58Å; F232-F259 HydrophobicContact CZ-CG 4.41Å; Y255-F259 PolarHBondContact O-N 2.73Å; L256-F259 PolarHBondContact O-N 2.92Å; F259-K261 VanDerWaalsContact C-N 3.28Å; F259-K261 PolarHBondContact O-N 3.25Å; F259-Y262 HydrophobicContact CD2-CD1 4.41Å; F259-Y262 HydrophobicContact CE2-CD1 4.18Å; F259-Y262 WeakPolarHBondContact O-CA 3.48Å; F259-Y262 WeakPolarHBondContact O-CB 3.27Å; F259-Y262 PolarHBondContact O-N 3.5Å; F259-L263 HydrophobicContact CD1-CD1 4.14Å; F259-L263 HydrophobicContact CD1-CG 4.2Å; F259-L263 HydrophobicContact CE1-CD1 3.67Å; F259-L263 HydrophobicContact CE1-CD2 4Å; F259-L263 HydrophobicContact CE1-CG 3.8Å; F259-L263 HydrophobicContact CZ-CD1 4.41Å; F259-L263 HydrophobicContact CZ-CD2 3.89Å; F259-L263 HydrophobicContact CZ-CG 4.17Å; F259-L263 PolarHBondContact O-N 3.3Å |
| 260 | L | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -35.9 | 174 | -76.8 | 166.7 | 0 | 0 | 0 | 112.4 | V123 I125 P126 L129 L229 F232 L256 D258 L263 A264 | V123-L260 HydrophobicContact CG1-CD1 3.77Å; I125-L260 HydrophobicContact CD1-CD1 4.11Å; I125-L260 HydrophobicContact CD1-CD2 4.24Å; P126-L260 HydrophobicContact CG-CB 3.87Å; L129-L260 HydrophobicContact CD1-CD2 4.2Å; L129-L260 WeakPolarHBondContact CD1-O 3.17Å; L229-L260 HydrophobicContact CD1-CD2 3.95Å; F232-L260 HydrophobicContact CB-CD1 4.24Å; F232-L260 HydrophobicContact CB-CD2 3.84Å; F232-L260 HydrophobicContact CB-CG 4.47Å; F232-L260 HydrophobicContact CD1-CD1 3.86Å; F232-L260 HydrophobicContact CD1-CD2 3.96Å; F232-L260 HydrophobicContact CD1-CG 3.85Å; F232-L260 HydrophobicContact CD2-CD2 3.96Å; F232-L260 HydrophobicContact CE1-CG 4.31Å; F232-L260 HydrophobicContact CG-CD1 4.21Å; F232-L260 HydrophobicContact CG-CD2 3.62Å; F232-L260 HydrophobicContact CG-CG 4.06Å; L256-L260 WeakPolarHBondContact O-CB 3.26Å; L256-L260 WeakPolarHBondContact O-CG 3.49Å; L256-L260 PolarHBondContact O-N 3.09Å; D258-L260 PolarHBondContact O-N 3.09Å; L260-L263 HydrophobicContact CD2-CD1 4.25Å; L260-L263 PolarHBondContact O-N 2.61Å; L260-A264 WeakPolarHBondContact O-CB 3.47Å; L260-A264 PolarHBondContact O-N 2.62Å |
| 261 | K | 96.5 | Very high | 95.1 | Very high | 126 Ų | 126 | 44.8 Ų | 44.8 | 55% | 0.548 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.1 | -34.5 | 171.6 | -72.4 | 167 | -175.3 | 174.7 | 0 | 112.4 | H257 D258 F259 A264 K265 | H257-K261 VanDerWaalsContact O-CG 3.3Å; H257-K261 WeakPolarHBondContact O-CG 3.43Å; H257-K261 PolarHBondContact O-N 3.41Å; D258-K261 WeakPolarHBondContact O-CB 3.48Å; D258-K261 PolarHBondContact O-N 2.98Å; D258-K261 VanDerWaalsContact O-N 3.13Å; F259-K261 VanDerWaalsContact C-N 3.28Å; F259-K261 PolarHBondContact O-N 3.25Å; K261-A264 PolarHBondContact O-N 3.33Å; K261-K265 WeakPolarHBondContact O-CB 3.39Å; K261-K265 VanDerWaalsContact O-CG 3.28Å; K261-K265 WeakPolarHBondContact O-CG 3.33Å; K261-K265 PolarHBondContact O-N 3.41Å |
| 262 | Y | 96.5 | Very high | 95.1 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 7% | 0.067 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65 | -43.5 | 171.7 | 164 | -92.3 | 0 | 0 | 0 | 111.4 | I158 E161 Y162 D258 F259 A264 K265 N266 | I158-Y262 HydrophobicContact CG2-CE1 4.2Å; E161-Y262 PolarHBondContact OE1-OH 3.27Å; Y162-Y262 AromaticContact CD2-CD1 3.89Å; Y162-Y262 HydrophobicContact CD2-CD1 3.89Å; Y162-Y262 HydrophobicContact CD2-CD2 4.2Å; Y162-Y262 AromaticContact CD2-CG 3.65Å; Y162-Y262 HydrophobicContact CD2-CG 3.65Å; Y162-Y262 HydrophobicContact CE2-CG 4.5Å; Y162-Y262 HydrophobicContact CG-CD1 4.34Å; Y162-Y262 HydrophobicContact CG-CG 4.48Å; D258-Y262 PolarHBondContact O-N 3.15Å; F259-Y262 HydrophobicContact CD2-CD1 4.41Å; F259-Y262 HydrophobicContact CE2-CD1 4.18Å; F259-Y262 WeakPolarHBondContact O-CA 3.48Å; F259-Y262 WeakPolarHBondContact O-CB 3.27Å; F259-Y262 PolarHBondContact O-N 3.5Å; Y262-A264 PolarHBondContact O-N 2.71Å; Y262-K265 PolarHBondContact O-N 3.19Å; Y262-N266 VanDerWaalsContact CD2-ND2 3.28Å; Y262-N266 WeakPolarHBondContact CD2-ND2 3.41Å; Y262-N266 WeakPolarHBondContact CE2-ND2 3.42Å; Y262-N266 PolarHBondContact O-N 2.8Å; Y262-N266 VanDerWaalsContact O-N 3.13Å; Y262-N266 PolarHBondContact O-ND2 2.96Å |
| 263 | L | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.5 | -42.8 | 173.4 | -64.9 | -176.1 | 0 | 0 | 0 | 112 | L129 I158 L229 F259 L260 N266 S267 L270 | L129-L263 HydrophobicContact CD1-CB 3.97Å; I158-L263 HydrophobicContact CG2-CD2 3.93Å; L229-L263 HydrophobicContact CD1-CD1 4.29Å; F259-L263 HydrophobicContact CD1-CD1 4.14Å; F259-L263 HydrophobicContact CD1-CG 4.2Å; F259-L263 HydrophobicContact CE1-CD1 3.67Å; F259-L263 HydrophobicContact CE1-CD2 4Å; F259-L263 HydrophobicContact CE1-CG 3.8Å; F259-L263 HydrophobicContact CZ-CD1 4.41Å; F259-L263 HydrophobicContact CZ-CD2 3.89Å; F259-L263 HydrophobicContact CZ-CG 4.17Å; F259-L263 PolarHBondContact O-N 3.3Å; L260-L263 HydrophobicContact CD2-CD1 4.25Å; L260-L263 PolarHBondContact O-N 2.61Å; L263-N266 CarbonylContact O-C 3.6Å; L263-N266 PolarHBondContact O-N 3.04Å; L263-S267 WeakPolarHBondContact O-CA 3.33Å; L263-S267 PolarHBondContact O-N 3.38Å; L263-L270 HydrophobicContact CD2-CD1 3.67Å |
| 264 | A | 96.6 | Very high | 95 | Very high | 14 Ų | 14 | 44.9 Ų | 44.9 | 12% | 0.116 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62 | -45.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P126 E128 L129 L260 K261 Y262 N266 S267 | P126-A264 HydrophobicContact CB-CB 4.29Å; E128-A264 HydrophobicContact CB-CB 4.4Å; L129-A264 HydrophobicContact CD1-CB 4.12Å; L129-A264 HydrophobicContact CD2-CB 4.35Å; L129-A264 HydrophobicContact CG-CB 3.98Å; L260-A264 WeakPolarHBondContact O-CB 3.47Å; L260-A264 PolarHBondContact O-N 2.62Å; K261-A264 PolarHBondContact O-N 3.33Å; Y262-A264 PolarHBondContact O-N 2.71Å; A264-N266 VanDerWaalsContact C-N 3.28Å; A264-N266 PolarHBondContact O-N 3.12Å; A264-S267 VanDerWaalsContact O-CB 3.26Å; A264-S267 WeakPolarHBondContact O-CB 3.43Å; A264-S267 PolarHBondContact O-N 2.71Å; A264-S267 PolarHBondContact O-OG 3.12Å |
| 265 | K | 96.4 | Very high | 95.1 | Very high | 175 Ų | 175 | 44.2 Ų | 44.2 | 76% | 0.761 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.9 | -32.8 | 177.4 | -75.7 | 174.7 | 178.7 | -174 | 0 | 113.6 | K261 Y262 | K261-K265 WeakPolarHBondContact O-CB 3.39Å; K261-K265 VanDerWaalsContact O-CG 3.28Å; K261-K265 WeakPolarHBondContact O-CG 3.33Å; K261-K265 PolarHBondContact O-N 3.41Å; Y262-K265 PolarHBondContact O-N 3.19Å |
| 266 | N | 95.6 | Very high | 95.2 | Very high | 46 Ų | 46 | 43.1 Ų | 43.1 | 25% | 0.246 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 14.9 | 179.9 | -63.4 | -77.3 | 0 | 0 | 0 | 112.5 | Y262 L263 A264 A268 S269 L270 | Y262-N266 VanDerWaalsContact CD2-ND2 3.28Å; Y262-N266 WeakPolarHBondContact CD2-ND2 3.41Å; Y262-N266 WeakPolarHBondContact CE2-ND2 3.42Å; Y262-N266 PolarHBondContact O-N 2.8Å; Y262-N266 VanDerWaalsContact O-N 3.13Å; Y262-N266 PolarHBondContact O-ND2 2.96Å; L263-N266 CarbonylContact O-C 3.6Å; L263-N266 PolarHBondContact O-N 3.04Å; A264-N266 VanDerWaalsContact C-N 3.28Å; A264-N266 PolarHBondContact O-N 3.12Å; N266-A268 VanDerWaalsContact C-N 3.31Å; N266-A268 PolarHBondContact O-N 3.01Å; N266-S269 PolarHBondContact O-N 3.16Å; N266-S269 PolarHBondContact O-OG 3.17Å; N266-S269 VanDerWaalsContact O-OG 3.08Å; N266-L270 HydrophobicContact CB-CD1 3.73Å; N266-L270 HydrophobicContact CB-CG 4.05Å; N266-L270 WeakPolarHBondContact O-CG 3.19Å; N266-L270 PolarHBondContact O-N 2.71Å; N266-L270 VanDerWaalsContact O-N 3.09Å |
| 267 | S | 94.3 | Very high | 95.2 | Very high | 22 Ų | 22 | 48.7 Ų | 48.7 | 15% | 0.154 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57 | -41.9 | -170.1 | 50.2 | 0 | 0 | 0 | 0 | 113.1 | L263 A264 S269 L270 F271 | L263-S267 WeakPolarHBondContact O-CA 3.33Å; L263-S267 PolarHBondContact O-N 3.38Å; A264-S267 VanDerWaalsContact O-CB 3.26Å; A264-S267 WeakPolarHBondContact O-CB 3.43Å; A264-S267 PolarHBondContact O-N 2.71Å; A264-S267 PolarHBondContact O-OG 3.12Å; S267-S269 PolarHBondContact O-N 3.23Å; S267-L270 PolarHBondContact O-N 3.13Å; S267-F271 WeakPolarHBondContact O-CD2 3.44Å; S267-F271 PolarHBondContact O-N 2.69Å |
| 268 | A | 92.7 | Very high | 95.2 | Very high | 84 Ų | 84 | 51 Ų | 51 | 69% | 0.694 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64 | -17.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | N266 | N266-A268 VanDerWaalsContact C-N 3.31Å; N266-A268 PolarHBondContact O-N 3.01Å |
| 269 | S | 93.9 | Very high | 95.2 | Very high | 75 Ų | 75 | 49.1 Ų | 49.1 | 52% | 0.524 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -107.5 | -13.8 | 175.2 | 67 | 0 | 0 | 0 | 0 | 113.6 | N266 S267 | N266-S269 PolarHBondContact O-N 3.16Å; N266-S269 PolarHBondContact O-OG 3.17Å; N266-S269 VanDerWaalsContact O-OG 3.08Å; S267-S269 PolarHBondContact O-N 3.23Å |
| 270 | L | 94.1 | Very high | 95 | Very high | 10 Ų | 10 | 52.4 Ų | 52.4 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -99.4 | -30.9 | -179.8 | -67.3 | 178.3 | 0 | 0 | 0 | 112.9 | K153 I158 A225 L263 N266 S267 | K153-L270 HydrophobicContact CD-CD2 3.93Å; I158-L270 HydrophobicContact CD1-CD2 4.11Å; I158-L270 HydrophobicContact CG1-CD2 3.93Å; A225-L270 HydrophobicContact CB-CB 3.88Å; A225-L270 HydrophobicContact CB-CD2 4.46Å; A225-L270 WeakPolarHBondContact CB-O 3.48Å; L263-L270 HydrophobicContact CD2-CD1 3.67Å; N266-L270 HydrophobicContact CB-CD1 3.73Å; N266-L270 HydrophobicContact CB-CG 4.05Å; N266-L270 WeakPolarHBondContact O-CG 3.19Å; N266-L270 PolarHBondContact O-N 2.71Å; N266-L270 VanDerWaalsContact O-N 3.09Å; S267-L270 PolarHBondContact O-N 3.13Å |
| 271 | F | 95.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 55.7 Ų | 55.7 | 4% | 0.039 | 33% | 0.331 | C | S | . | . | trans | -120.1 | 112.8 | -178.8 | -49.7 | -75.3 | 0 | 0 | 0 | 109 | L129 W132 A225 P226 L229 S267 | L129-F271 HydrophobicContact CD2-CD2 4.35Å; L129-F271 HydrophobicContact CD2-CE2 3.63Å; L129-F271 HydrophobicContact CD2-CZ 4.23Å; W132-F271 HydrophobicContact CB-CG 4.35Å; W132-F271 HydrophobicContact CD2-CB 3.57Å; W132-F271 HydrophobicContact CD2-CD2 4.33Å; W132-F271 HydrophobicContact CD2-CG 4.13Å; W132-F271 HydrophobicContact CE3-CB 3.45Å; W132-F271 VanDerWaalsContact CE3-CB 3.45Å; W132-F271 HydrophobicContact CE3-CG 4.4Å; W132-F271 HydrophobicContact CG-CB 4.1Å; W132-F271 HydrophobicContact CG-CD2 4.16Å; W132-F271 HydrophobicContact CG-CG 4.14Å; W132-F271 HydrophobicContact CH2-CB 4.19Å; W132-F271 WeakPolarHBondContact CH2-O 3.23Å; W132-F271 HydrophobicContact CZ2-CB 4.32Å; W132-F271 HydrophobicContact CZ3-CB 3.78Å; W132-F271 WeakPolarHBondContact CZ3-O 3.43Å; A225-F271 HydrophobicContact CB-CD1 4.2Å; A225-F271 HydrophobicContact CB-CE1 3.76Å; A225-F271 HydrophobicContact CB-CZ 4.19Å; P226-F271 HydrophobicContact CG-CD1 4.28Å; L229-F271 HydrophobicContact CB-CE1 4.01Å; L229-F271 HydrophobicContact CB-CZ 4.17Å; L229-F271 HydrophobicContact CD2-CE1 3.82Å; L229-F271 HydrophobicContact CD2-CE2 4.5Å; L229-F271 HydrophobicContact CD2-CZ 3.75Å; L229-F271 HydrophobicContact CG-CZ 4.46Å; S267-F271 WeakPolarHBondContact O-CD2 3.44Å; S267-F271 PolarHBondContact O-N 2.69Å | ||
| 272 | T | 92.2 | Very high | 94.6 | Very high | 54 Ų | 54 | 54 Ų | 54 | 33% | 0.331 | 33% | 0.328 | S | S | . | . | trans | -142.3 | 128.1 | 177.2 | -42.1 | 0 | 0 | 0 | 0 | 110 | S274 D275 | T272-S274 WeakPolarHBondContact CG2-OG 3.5Å; T272-S274 PolarHBondContact O-N 2.77Å; T272-S274 VanDerWaalsContact O-N 3.1Å; T272-D275 PolarHBondContact O-N 3.18Å | ||
| 273 | A | 91.4 | Very high | 94.6 | Very high | 44 Ų | 44 | 53.9 Ų | 53.9 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -59.4 | -22.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L139 D275 Y276 | L139-A273 HydrophobicContact CD1-CB 4.46Å; A273-D275 PolarHBondContact O-N 3.46Å; A273-Y276 WeakPolarHBondContact O-CB 3.31Å; A273-Y276 PolarHBondContact O-N 3.04Å |
| 274 | S | 92.9 | Very high | 94.3 | Very high | 76 Ų | 76 | 56.8 Ų | 56.8 | 53% | 0.531 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -67 | -12.6 | 174.8 | 62.5 | 0 | 0 | 0 | 0 | 115 | T272 | T272-S274 WeakPolarHBondContact CG2-OG 3.5Å; T272-S274 PolarHBondContact O-N 2.77Å; T272-S274 VanDerWaalsContact O-N 3.1Å |
| 275 | D | 95 | Very high | 94.1 | Very high | 24 Ų | 24 | 63.7 Ų | 63.7 | 13% | 0.128 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -86.3 | 3.5 | 172.1 | -64.8 | -34.8 | 0 | 0 | 0 | 112.4 | F147 Q148 K152 T272 A273 | F147-D275 CarbonylContact C-O 3.46Å; F147-D275 HydrophobicContact CD2-CB 4.16Å; F147-D275 HydrophobicContact CE2-CB 3.55Å; F147-D275 HydrophobicContact CZ-CB 4.05Å; Q148-D275 WeakPolarHBondContact CB-O 3.43Å; Q148-D275 WeakPolarHBondContact CG-O 3.36Å; Q148-D275 PolarHBondContact N-O 2.91Å; K152-D275 WeakPolarHBondContact CE-OD1 3.47Å; K152-D275 IonicContact NZ-OD1 2.65Å; K152-D275 PolarHBondContact NZ-OD1 3.28Å; T272-D275 PolarHBondContact O-N 3.18Å; A273-D275 PolarHBondContact O-N 3.46Å |
| 276 | Y | 97.2 | Very high | 93.8 | Very high | 17 Ų | 17 | 61.3 Ų | 61.3 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 149.7 | 170.6 | -63.3 | -103.9 | 0 | 0 | 0 | 110.5 | D136 L139 V140 L146 F147 P226 A273 | D136-Y276 PolarHBondContact OD1-OH 3.48Å; L139-Y276 HydrophobicContact CB-CD1 4.08Å; L139-Y276 HydrophobicContact CB-CE1 4.3Å; L139-Y276 HydrophobicContact CB-CG 4.47Å; L139-Y276 HydrophobicContact CD1-CD1 4.22Å; L139-Y276 HydrophobicContact CD1-CD2 3.76Å; L139-Y276 HydrophobicContact CD1-CE1 4.3Å; L139-Y276 HydrophobicContact CD1-CE2 3.84Å; L139-Y276 HydrophobicContact CD1-CG 3.96Å; V140-Y276 HydrophobicContact CG2-CD1 4.44Å; V140-Y276 HydrophobicContact CG2-CE1 4Å; L146-Y276 CarbonylContact O-C 3.48Å; L146-Y276 VanDerWaalsContact O-CA 3.29Å; L146-Y276 WeakPolarHBondContact O-CA 3.43Å; F147-Y276 HydrophobicContact CB-CD1 4.26Å; F147-Y276 HydrophobicContact CB-CE1 4.06Å; F147-Y276 HydrophobicContact CD2-CD2 4.24Å; F147-Y276 HydrophobicContact CD2-CE1 4.11Å; F147-Y276 AromaticContact CD2-CE2 3.83Å; F147-Y276 HydrophobicContact CD2-CE2 3.83Å; F147-Y276 AromaticContact CD2-CZ 3.76Å; F147-Y276 HydrophobicContact CE2-CE2 4.37Å; P226-Y276 VanDerWaalsContact CB-OH 3.22Å; P226-Y276 WeakPolarHBondContact CB-OH 3.14Å; P226-Y276 VanDerWaalsContact CG-OH 3.29Å; P226-Y276 WeakPolarHBondContact CG-OH 3.42Å; A273-Y276 WeakPolarHBondContact O-CB 3.31Å; A273-Y276 PolarHBondContact O-N 3.04Å |
| 277 | K | 96.3 | Very high | 93.4 | Very high | 121 Ų | 121 | 59.9 Ų | 59.9 | 53% | 0.526 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 139.1 | 174.2 | -74.7 | -176.8 | 171.4 | 168.8 | 0 | 110.6 | Q145 L146 Q148 A279 | Q145-K277 CarbonylContact C-O 3.59Å; Q145-K277 VanDerWaalsContact CA-O 3.24Å; Q145-K277 WeakPolarHBondContact CA-O 3.43Å; L146-K277 PolarHBondContact N-O 2.91Å; L146-K277 PolarHBondContact O-N 2.63Å; Q148-K277 VanDerWaalsContact CD-CE 3.42Å; Q148-K277 HydrophobicContact CG-CD 3.92Å; Q148-K277 HydrophobicContact CG-CG 3.99Å; K277-A279 PolarHBondContact O-N 3.13Å |
| 278 | V | 95.4 | Very high | 92.5 | Very high | 106 Ų | 106 | 67.5 Ų | 67.5 | 64% | 0.642 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 126.1 | 170.6 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | Q145 | Q145-V278 HydrophobicContact CG-CG2 4.23Å |
| 279 | A | 94.9 | Very high | 92.5 | Very high | 11 Ų | 11 | 66.7 Ų | 66.7 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 144.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K144 L146 F202 K277 Y283 H284 | K144-A279 WeakPolarHBondContact O-CB 3.43Å; K144-A279 PolarHBondContact O-N 3.38Å; L146-A279 HydrophobicContact CD1-CB 3.84Å; L146-A279 HydrophobicContact CG-CB 4.11Å; F202-A279 HydrophobicContact CE1-CB 3.85Å; F202-A279 HydrophobicContact CZ-CB 3.7Å; K277-A279 PolarHBondContact O-N 3.13Å; A279-Y283 HydrophobicContact CB-CD1 3.71Å; A279-Y283 HydrophobicContact CB-CE1 4.48Å; A279-Y283 HydrophobicContact CB-CG 4.09Å; A279-H284 PolarHBondContact O-CE1 3.49Å; A279-H284 PolarHBondContact O-ND1 3.28Å |
| 280 | S | 94.6 | Very high | 92.4 | Very high | 70 Ų | 70 | 66.2 Ų | 66.2 | 49% | 0.49 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 159.9 | 178.9 | 69.2 | 0 | 0 | 0 | 0 | 112.2 | D282 Y283 H284 | S280-D282 PolarHBondContact O-N 2.76Å; S280-Y283 WeakPolarHBondContact O-CB 3.49Å; S280-Y283 PolarHBondContact O-N 2.66Å; S280-Y283 VanDerWaalsContact O-N 3.13Å; S280-Y283 PolarHBondContact OG-N 3.41Å; S280-Y283 VanDerWaalsContact OG-N 3.14Å; S280-H284 PolarHBondContact O-N 2.88Å; S280-H284 PolarHBondContact O-ND1 2.95Å |
| 281 | A | 92.6 | Very high | 92.3 | Very high | 69 Ų | 69 | 69.3 Ų | 69.3 | 57% | 0.57 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -58.2 | -30.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | H284 R285 | A281-H284 PolarHBondContact O-N 3.11Å; A281-R285 VanDerWaalsContact C-NH1 3.35Å; A281-R285 WeakPolarHBondContact O-CG 3.43Å; A281-R285 PolarHBondContact O-N 3.34Å; A281-R285 PolarHBondContact O-NH1 2.96Å; A281-R285 VanDerWaalsContact O-NH1 3.13Å |
| 282 | D | 92.6 | Very high | 92.1 | Very high | 91 Ų | 91 | 72.9 Ų | 72.9 | 49% | 0.487 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71 | -40 | 177 | -71 | 14.9 | 0 | 0 | 0 | 111.9 | S280 R285 K286 | S280-D282 PolarHBondContact O-N 2.76Å; D282-R285 PolarHBondContact O-N 3.49Å; D282-R285 IonicContact OD1-CZ 3.62Å; D282-R285 IonicContact OD1-NH1 3.73Å; D282-R285 PolarHBondContact OD1-NH1 3Å; D282-R285 IonicContact OD1-NH2 3.35Å; D282-R285 PolarHBondContact OD1-NH2 3.38Å; D282-R285 IonicContact OD2-NH2 2.71Å; D282-K286 PolarHBondContact O-N 3.29Å |
| 283 | Y | 95.4 | Very high | 92.1 | Very high | 14 Ų | 14 | 74.1 Ų | 74.1 | 6% | 0.055 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.3 | -43 | 172.7 | -171.4 | -83 | 0 | 0 | 0 | 111.5 | L146 F202 P205 Q206 A279 S280 R285 K286 A287 | L146-Y283 HydrophobicContact CD1-CD1 3.82Å; L146-Y283 HydrophobicContact CD1-CD2 3.8Å; L146-Y283 HydrophobicContact CD1-CE1 3.6Å; L146-Y283 HydrophobicContact CD1-CE2 3.56Å; L146-Y283 HydrophobicContact CD1-CG 3.92Å; L146-Y283 VanDerWaalsContact CD1-CZ 3.46Å; L146-Y283 HydrophobicContact CD2-CE1 3.92Å; L146-Y283 HydrophobicContact CG-CE1 4.22Å; F202-Y283 HydrophobicContact CD1-CE1 4.35Å; F202-Y283 HydrophobicContact CD2-CE1 4.41Å; F202-Y283 HydrophobicContact CE1-CD1 4.29Å; F202-Y283 AromaticContact CE1-CE1 3.99Å; F202-Y283 HydrophobicContact CE1-CE1 3.99Å; F202-Y283 HydrophobicContact CE2-CD1 4.18Å; F202-Y283 HydrophobicContact CE2-CE1 4.07Å; F202-Y283 AromaticContact CZ-CD1 3.82Å; F202-Y283 HydrophobicContact CZ-CD1 3.82Å; F202-Y283 AromaticContact CZ-CE1 3.85Å; F202-Y283 HydrophobicContact CZ-CE1 3.85Å; F202-Y283 VanDerWaalsContact O-CE1 3.27Å; F202-Y283 WeakPolarHBondContact O-CE1 3.45Å; F202-Y283 PolarHBondContact O-OH 2.69Å; P205-Y283 HydrophobicContact CB-CE2 3.83Å; P205-Y283 WeakPolarHBondContact CD-OH 3.45Å; P205-Y283 HydrophobicContact CG-CE1 4.49Å; Q206-Y283 HydrophobicContact CB-CE2 3.82Å; Q206-Y283 WeakPolarHBondContact CB-OH 3.26Å; Q206-Y283 PolarHBondContact N-OH 2.85Å; A279-Y283 HydrophobicContact CB-CD1 3.71Å; A279-Y283 HydrophobicContact CB-CE1 4.48Å; A279-Y283 HydrophobicContact CB-CG 4.09Å; S280-Y283 WeakPolarHBondContact O-CB 3.49Å; S280-Y283 PolarHBondContact O-N 2.66Å; S280-Y283 VanDerWaalsContact O-N 3.13Å; S280-Y283 PolarHBondContact OG-N 3.41Å; S280-Y283 VanDerWaalsContact OG-N 3.14Å; Y283-R285 VanDerWaalsContact C-N 3.27Å; Y283-R285 PolarHBondContact O-N 2.83Å; Y283-K286 WeakPolarHBondContact O-CA 3.49Å; Y283-K286 WeakPolarHBondContact O-CB 3.28Å; Y283-K286 PolarHBondContact O-N 2.7Å; Y283-A287 HydrophobicContact CD1-CB 4.21Å; Y283-A287 HydrophobicContact CE1-CB 3.92Å; Y283-A287 WeakPolarHBondContact O-CB 3.36Å; Y283-A287 PolarHBondContact O-N 3.41Å; Y283-A287 VanDerWaalsContact O-N 3.09Å |
| 284 | H | 91.3 | Very high | 92.2 | Very high | 61 Ų | 61 | 76.1 Ų | 76.1 | 28% | 0.282 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -55.5 | -41.7 | 176.3 | -78.2 | 80 | 0 | 0 | 0 | 112.1 | K144 F202 A279 S280 A281 K286 A287 L288 | K144-H284 VanDerWaalsContact CB-NE2 3.31Å; K144-H284 WeakPolarHBondContact CB-NE2 3.46Å; F202-H284 AromaticContact CZ-NE2 3.98Å; A279-H284 PolarHBondContact O-CE1 3.49Å; A279-H284 PolarHBondContact O-ND1 3.28Å; S280-H284 PolarHBondContact O-N 2.88Å; S280-H284 PolarHBondContact O-ND1 2.95Å; A281-H284 PolarHBondContact O-N 3.11Å; H284-K286 VanDerWaalsContact C-N 3.27Å; H284-K286 PolarHBondContact O-N 3.14Å; H284-A287 PolarHBondContact O-N 3.08Å; H284-A287 VanDerWaalsContact O-N 3.11Å; H284-L288 WeakPolarHBondContact O-CG 3.38Å; H284-L288 PolarHBondContact O-N 3.26Å |
| 285 | R | 92.1 | Very high | 92.1 | Very high | 158 Ų | 158 | 76.1 Ų | 76.1 | 60% | 0.596 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.8 | -27.5 | 176.5 | -64.6 | -168.5 | -53.9 | -80.8 | 9.7 | 113.6 | A281 D282 Y283 | A281-R285 VanDerWaalsContact C-NH1 3.35Å; A281-R285 WeakPolarHBondContact O-CG 3.43Å; A281-R285 PolarHBondContact O-N 3.34Å; A281-R285 PolarHBondContact O-NH1 2.96Å; A281-R285 VanDerWaalsContact O-NH1 3.13Å; D282-R285 PolarHBondContact O-N 3.49Å; D282-R285 IonicContact OD1-CZ 3.62Å; D282-R285 IonicContact OD1-NH1 3.73Å; D282-R285 PolarHBondContact OD1-NH1 3Å; D282-R285 IonicContact OD1-NH2 3.35Å; D282-R285 PolarHBondContact OD1-NH2 3.38Å; D282-R285 IonicContact OD2-NH2 2.71Å; Y283-R285 VanDerWaalsContact C-N 3.27Å; Y283-R285 PolarHBondContact O-N 2.83Å |
| 286 | K | 91 | Very high | 91.9 | Very high | 125 Ų | 125 | 80.1 Ų | 80.1 | 54% | 0.543 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -80.4 | -20 | 173.7 | -63.6 | 172.7 | 176.8 | 174.9 | 0 | 113.4 | P205 E209 D282 Y283 H284 | P205-K286 HydrophobicContact CB-CB 3.99Å; P205-K286 HydrophobicContact CG-CB 4.16Å; P205-K286 WeakPolarHBondContact CG-O 3.37Å; E209-K286 IonicContact OE1-NZ 3.13Å; E209-K286 PolarHBondContact OE1-NZ 3.23Å; D282-K286 PolarHBondContact O-N 3.29Å; Y283-K286 WeakPolarHBondContact O-CA 3.49Å; Y283-K286 WeakPolarHBondContact O-CB 3.28Å; Y283-K286 PolarHBondContact O-N 2.7Å; H284-K286 VanDerWaalsContact C-N 3.27Å; H284-K286 PolarHBondContact O-N 3.14Å |
| 287 | A | 86.6 | Confident | 91.5 | Very high | 16 Ų | 16 | 85.3 Ų | 85.3 | 13% | 0.132 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -101.6 | -3.4 | -170 | 0 | 0 | 0 | 0 | 0 | 115 | F202 P205 Y283 H284 | F202-A287 HydrophobicContact CD2-CB 3.6Å; F202-A287 HydrophobicContact CE2-CB 3.61Å; P205-A287 HydrophobicContact CG-CB 3.94Å; Y283-A287 HydrophobicContact CD1-CB 4.21Å; Y283-A287 HydrophobicContact CE1-CB 3.92Å; Y283-A287 WeakPolarHBondContact O-CB 3.36Å; Y283-A287 PolarHBondContact O-N 3.41Å; Y283-A287 VanDerWaalsContact O-N 3.09Å; H284-A287 PolarHBondContact O-N 3.08Å; H284-A287 VanDerWaalsContact O-N 3.11Å |
| 288 | L | 74.9 | Confident | 91 | Very high | 182 Ų | 182 | 82.1 Ų | 82.1 | 95% | 0.953 | 44% | 0.44 | S | S | * | . | trans | -73.1 | 0 | 176.7 | -74.4 | 165.5 | 0 | 0 | 0 | 111.3 | K201 H284 | K201-L288 PolarHBondContact NZ-OXT 2.92Å; H284-L288 WeakPolarHBondContact O-CG 3.38Å; H284-L288 PolarHBondContact O-N 3.26Å |
Retrieved 288 of 288 residues in 166.8 ms
(Link to these results)