| 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 | 37.1 | Very low | 36.7 | Very low | 244 Ų | 244 | 149.8 Ų | 149.8 | 100% | 1.202 | 89% | 0.886 | S | S | * | * | 0 | 129 | 0 | -84.8 | -175.8 | 159.4 | 0 | 0 | 108.3 | |||||
| 2 | C | 37.2 | Very low | 36.4 | Very low | 132 Ų | 132 | 152.3 Ų | 152.3 | 89% | 0.892 | 89% | 0.89 | S | S | * | * | trans | 61 | 100.9 | 168 | -66.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 3 | S | 35.2 | Very low | 35.9 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 79% | 0.79 | 88% | 0.884 | S | S | * | * | trans | -72 | -163.8 | 144 | -47.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 4 | P | 54.3 | Low | 35.8 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 79% | 0.786 | 88% | 0.883 | S | S | * | * | -114.1 | 179.8 | -120.7 | 24.6 | 1 | 0 | 0 | 0 | 112.6 | |||||
| 5 | Q | 38.4 | Very low | 35.5 | Very low | 202 Ų | 202 | 152.3 Ų | 152.3 | 94% | 0.944 | 88% | 0.883 | S | S | * | * | trans | -132.2 | 124.8 | 162.3 | -87.5 | -171.4 | -27.2 | 0 | 0 | 112.6 | ||||
| 6 | E | 36.6 | Very low | 35.2 | Very low | 186 Ų | 186 | 153.7 Ų | 153.7 | 87% | 0.869 | 88% | 0.882 | S | S | * | * | trans | -70 | 159.6 | 166.7 | -61.3 | 175.5 | 115.9 | 0 | 0 | 112.3 | ||||
| 7 | S | 36.8 | Very low | 35.1 | Very low | 130 Ų | 130 | 155 Ų | 155 | 91% | 0.909 | 88% | 0.884 | S | S | * | * | trans | 173 | 134.5 | 145.8 | 35.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 8 | G | 29.8 | Very low | 35 | Very low | 76 Ų | 76 | 153.1 Ų | 153.1 | 78% | 0.784 | 88% | 0.876 | S | S | * | * | cis | -176.4 | 148.5 | -1.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 9 | M | 33.3 | Very low | 34.9 | Very low | 181 Ų | 181 | 158.5 Ų | 158.5 | 89% | 0.892 | 88% | 0.881 | S | S | * | * | trans | -61 | 149.1 | 175.7 | -75.2 | 144.7 | 56.7 | 0 | 0 | 112.5 | ||||
| 10 | N | 33 | Very low | 34.7 | Very low | 171 Ų | 171 | 157.7 Ų | 157.7 | 91% | 0.914 | 88% | 0.875 | S | S | * | * | trans | -154.1 | 119.5 | 134 | -103.3 | -19.4 | 0 | 0 | 0 | 112.1 | ||||
| 11 | A | 32.2 | Very low | 34.7 | Very low | 92 Ų | 92 | 162.1 Ų | 162.1 | 76% | 0.76 | 88% | 0.878 | S | S | * | * | trans | -87.6 | 137.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 12 | L | 33.2 | Very low | 34.4 | Very low | 179 Ų | 179 | 154.9 Ų | 154.9 | 94% | 0.937 | 85% | 0.852 | S | S | * | * | trans | -132.4 | 118.9 | 158.8 | -86.2 | 171.6 | 0 | 0 | 0 | 110.4 | ||||
| 13 | S | 29.7 | Very low | 34.2 | Very low | 116 Ų | 116 | 157 Ų | 157 | 81% | 0.811 | 85% | 0.853 | S | S | * | * | trans | -77.9 | 139.2 | 176.7 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 14 | A | 33.7 | Very low | 33.9 | Very low | 105 Ų | 105 | 155 Ų | 155 | 87% | 0.868 | 85% | 0.851 | S | S | * | * | trans | -127.6 | 120.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 15 | R | 32.2 | Very low | 33.5 | Very low | 236 Ų | 236 | 156 Ų | 156 | 89% | 0.891 | 86% | 0.857 | S | S | * | * | trans | -64.4 | 150.8 | -165.8 | -73.4 | 164.2 | 170.6 | -177.8 | -3.5 | 116.3 | ||||
| 16 | M | 30.7 | Very low | 33.1 | Very low | 175 Ų | 175 | 150 Ų | 150 | 86% | 0.862 | 85% | 0.849 | S | S | * | * | trans | -53.9 | 145.4 | 154.7 | -69.5 | 174.3 | 171.1 | 0 | 0 | 112.7 | ||||
| 17 | L | 33.3 | Very low | 32.8 | Very low | 176 Ų | 176 | 146.2 Ų | 146.2 | 92% | 0.921 | 85% | 0.85 | S | S | * | * | trans | -133.1 | 98.6 | 154.6 | -87.1 | 167.3 | 0 | 0 | 0 | 109.8 | ||||
| 18 | T | 32.7 | Very low | 32.5 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 74% | 0.736 | 84% | 0.843 | S | S | * | * | trans | -73.3 | 137 | 158.2 | 47.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 19 | R | 33.4 | Very low | 33.5 | Very low | 257 Ų | 257 | 145.7 Ų | 145.7 | 97% | 0.97 | 84% | 0.843 | S | S | * | * | trans | -124.5 | 104.6 | 160.7 | -112.6 | 179.9 | 175.5 | 175.8 | -0.8 | 109.6 | ||||
| 20 | N | 30.7 | Very low | 33.5 | Very low | 141 Ų | 141 | 149.3 Ų | 149.3 | 75% | 0.754 | 85% | 0.847 | S | S | * | * | trans | -96.9 | 139.3 | 164.2 | -165 | 14.5 | 0 | 0 | 0 | 107.5 | ||||
| 21 | R | 35.1 | Very low | 33.2 | Very low | 251 Ų | 251 | 144.4 Ų | 144.4 | 95% | 0.947 | 84% | 0.836 | S | S | * | * | trans | -147.3 | 104.8 | 159.4 | -111.4 | -172.5 | -178.7 | -166.3 | -0.3 | 109.1 | ||||
| 22 | S | 31.3 | Very low | 32.8 | Very low | 93 Ų | 93 | 146.9 Ų | 146.9 | 65% | 0.65 | 85% | 0.846 | S | S | * | * | trans | -74.3 | 154.8 | 163.4 | 13.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 23 | L | 32.5 | Very low | 32.6 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 93% | 0.927 | 84% | 0.835 | S | S | * | * | trans | -178.9 | 112.7 | 130.6 | -96 | 165.2 | 0 | 0 | 0 | 111.8 | ||||
| 24 | G | 29.7 | Very low | 32.6 | Very low | 71 Ų | 71 | 145.4 Ų | 145.4 | 73% | 0.732 | 84% | 0.84 | S | S | * | * | 86.5 | 154.5 | 122.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 25 | P | 45.4 | Very low | 32.5 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 92% | 0.916 | 84% | 0.841 | S | S | * | * | trans | -122.3 | 170 | -138.3 | 38 | -22.3 | 0 | 0 | 0 | 115.7 | ||||
| 26 | G | 29.8 | Very low | 32.6 | Very low | 75 Ų | 75 | 144.2 Ų | 144.2 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | trans | -177.2 | 113.7 | 167 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 27 | A | 31.1 | Very low | 33 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | trans | 48.3 | 126.1 | 145.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 28 | G | 28.7 | Very low | 33.2 | Very low | 74 Ų | 74 | 136.9 Ų | 136.9 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | trans | -85.7 | -148.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 29 | P | 51.9 | Low | 33.3 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 78% | 0.779 | 83% | 0.828 | S | S | * | * | cis | -121 | 169.1 | -45.3 | 38.1 | -24.5 | 0 | 0 | 0 | 111.7 | ||||
| 30 | R | 33.4 | Very low | 33.2 | Very low | 258 Ų | 258 | 137.1 Ų | 137.1 | 97% | 0.974 | 83% | 0.826 | S | S | * | * | trans | 160.1 | 136.2 | 162.6 | -96.2 | 175.5 | -90.4 | -155.1 | 0.4 | 106.3 | ||||
| 31 | G | 27 | Very low | 33.1 | Very low | 67 Ų | 67 | 142.5 Ų | 142.5 | 69% | 0.691 | 84% | 0.836 | S | S | * | * | cis | 157.5 | 141 | 7.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 32 | C | 24.3 | Very low | 32.7 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 97% | 0.973 | 83% | 0.825 | S | S | * | * | trans | 58.9 | 133.1 | 159.2 | -57.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 33 | G | 28.4 | Very low | 32.5 | Very low | 69 Ų | 69 | 138.6 Ų | 138.6 | 71% | 0.711 | 84% | 0.837 | S | S | * | * | trans | 155.1 | 73.2 | 157.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 34 | E | 29.9 | Very low | 32.2 | Very low | 196 Ų | 196 | 134.9 Ų | 134.9 | 92% | 0.916 | 83% | 0.831 | S | S | * | * | trans | 52.3 | 118.6 | 143.4 | -70.5 | 168.2 | 113.1 | 0 | 0 | 122.5 | ||||
| 35 | E | 31.9 | Very low | 32.1 | Very low | 188 Ų | 188 | 136.6 Ų | 136.6 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | trans | -72.5 | 155.8 | 159.7 | -70.9 | -169.6 | 110 | 0 | 0 | 112.8 | ||||
| 36 | P | 34.3 | Very low | 31.2 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | -105.8 | 129.7 | 147.8 | 22.8 | -6.8 | 0 | 0 | 0 | 112.2 | ||||
| 37 | A | 37.2 | Very low | 31.1 | Very low | 89 Ų | 89 | 140.8 Ų | 140.8 | 74% | 0.736 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 161.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 38 | P | 38.2 | Very low | 30.8 | Very low | 109 Ų | 109 | 140 Ų | 140 | 71% | 0.708 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 157.4 | -176.3 | 36.1 | -33.6 | 0 | 0 | 0 | 112.8 | ||
| 39 | P | 35 | Very low | 30.7 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 87% | 0.87 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 127.5 | 176.4 | 31.9 | -29.9 | 0 | 0 | 0 | 111.3 | ||
| 40 | R | 30.9 | Very low | 29.5 | Very low | 248 Ų | 248 | 152.3 Ų | 152.3 | 94% | 0.936 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 144.4 | 169.9 | -71.3 | -174.5 | 173.9 | -167.7 | -0.8 | 111 | ||
| 41 | R | 29 | Very low | 29.2 | Very low | 254 Ų | 254 | 145.3 Ų | 145.3 | 96% | 0.958 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -87 | 145.1 | 166.3 | -83.5 | -177.5 | 175.2 | -146.7 | -0.8 | 110.6 | ||
| 42 | G | 25.9 | Very low | 29.2 | Very low | 70 Ų | 70 | 151.1 Ų | 151.1 | 72% | 0.722 | 85% | 0.85 | S | S | * | * | trans | 117.7 | 119.3 | 135.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 43 | E | 27.3 | Very low | 29.4 | Very low | 192 Ų | 192 | 149.5 Ų | 149.5 | 90% | 0.897 | 84% | 0.841 | S | S | * | * | trans | 144.7 | 108.2 | 133.7 | -81.4 | -176.1 | 130.9 | 0 | 0 | 110.2 | ||||
| 44 | A | 26 | Very low | 29.5 | Very low | 98 Ų | 98 | 152.1 Ų | 152.1 | 81% | 0.81 | 85% | 0.845 | S | S | * | * | 73.9 | 101.7 | 84.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 45 | A | 28.3 | Very low | 29.5 | Very low | 108 Ų | 108 | 149.3 Ų | 149.3 | 89% | 0.893 | 84% | 0.841 | S | S | * | * | trans | -140.1 | 127.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 46 | A | 26.1 | Very low | 29.3 | Very low | 103 Ų | 103 | 150 Ų | 150 | 85% | 0.851 | 84% | 0.841 | S | S | * | * | trans | -88.6 | 142.8 | -178 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 47 | E | 27.5 | Very low | 29.1 | Very low | 200 Ų | 200 | 155.2 Ų | 155.2 | 94% | 0.935 | 84% | 0.844 | S | S | * | * | trans | -148.1 | 147.2 | 156.6 | -131.6 | 173 | 174 | 0 | 0 | 111.5 | ||||
| 48 | A | 26.3 | Very low | 28.8 | Very low | 91 Ų | 91 | 162.6 Ų | 162.6 | 75% | 0.752 | 85% | 0.853 | S | S | * | * | trans | -90.1 | 136.6 | -151.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 49 | R | 25.3 | Very low | 28.5 | Very low | 240 Ų | 240 | 168.9 Ų | 168.9 | 91% | 0.906 | 86% | 0.863 | S | S | * | * | trans | 29 | 109.6 | 136.5 | -61.3 | -178.4 | 178.5 | -161.7 | -0.8 | 118.6 | ||||
| 50 | K | 26.3 | Very low | 28.4 | Very low | 214 Ų | 214 | 172.2 Ų | 172.2 | 93% | 0.93 | 86% | 0.864 | S | S | * | * | trans | -121 | 125.5 | 136.6 | -78 | -177.5 | -179.9 | 175.9 | 0 | 109.5 | ||||
| 51 | S | 27.7 | Very low | 28.3 | Very low | 111 Ų | 111 | 164.9 Ų | 164.9 | 78% | 0.776 | 86% | 0.856 | S | S | * | * | trans | -78.2 | 116.2 | -176.8 | 38.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 52 | H | 27.1 | Very low | 28.5 | Very low | 188 Ų | 188 | 161.6 Ų | 161.6 | 87% | 0.87 | 85% | 0.852 | S | S | * | * | trans | -128.9 | 111.7 | 161.5 | -86.3 | 0.7 | 0 | 0 | 0 | 109.7 | ||||
| 53 | S | 27.7 | Very low | 28.5 | Very low | 111 Ų | 111 | 169.4 Ų | 169.4 | 78% | 0.776 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 130.6 | 177.1 | -59 | 0 | 0 | 0 | 0 | 111.2 | V55 | S53-V55 PolarHBondContact O-N 2.61Š|
| 54 | P | 30.6 | Very low | 28.7 | Very low | 123 Ų | 123 | 168 Ų | 168 | 80% | 0.799 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 116.9 | 174.3 | 30.4 | -29.9 | 0 | 0 | 0 | 109.8 | K56 | P54-K56 PolarHBondContact O-N 3.22Š|
| 55 | V | 30.3 | Very low | 28.6 | Very low | 137 Ų | 137 | 169.2 Ų | 169.2 | 83% | 0.83 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 117.5 | 170.9 | 174.7 | 0 | 0 | 0 | 0 | 109.3 | S53 R57 | S53-V55 PolarHBondContact O-N 2.61Å; V55-R57 PolarHBondContact O-N 3.1Å |
| 56 | K | 29.1 | Very low | 28.9 | Very low | 204 Ų | 204 | 170.3 Ų | 170.3 | 89% | 0.887 | 85% | 0.854 | S | S | * | * | trans | -62.4 | 96.2 | 175.1 | -72.6 | 178.1 | 177.8 | 175.8 | 0 | 110.4 | P54 R58 | P54-K56 PolarHBondContact O-N 3.22Å; K56-R58 PolarHBondContact O-N 3.43Å; K56-R58 VanDerWaalsContact O-N 3.16Å | ||
| 57 | R | 29.1 | Very low | 29 | Very low | 236 Ų | 236 | 170.1 Ų | 170.1 | 89% | 0.891 | 85% | 0.852 | S | S | * | * | trans | -75.2 | 98.5 | 162.6 | -88.1 | -177.2 | 169.5 | -178.9 | -2.7 | 109.1 | V55 R59 | V55-R57 PolarHBondContact O-N 3.1Å; R57-R59 PolarHBondContact O-N 2.96Å | ||
| 58 | R | 30.4 | Very low | 29.6 | Very low | 244 Ų | 244 | 170.7 Ų | 170.7 | 92% | 0.921 | 85% | 0.847 | S | S | * | * | trans | -51.4 | 105.1 | 165.6 | -97.5 | 176.5 | 160.1 | 177.7 | -5.2 | 108.9 | K56 K60 | K56-R58 PolarHBondContact O-N 3.43Å; K56-R58 VanDerWaalsContact O-N 3.16Å; R58-K60 PolarHBondContact O-N 2.9Å | ||
| 59 | R | 33.7 | Very low | 30.2 | Very low | 240 Ų | 240 | 175.6 Ų | 175.6 | 91% | 0.906 | 85% | 0.854 | S | S | * | * | trans | -71.9 | 113 | 164.8 | -78.3 | -176.1 | 172.1 | -177 | -2.3 | 107.4 | R57 A61 | R57-R59 PolarHBondContact O-N 2.96Å; R59-A61 PolarHBondContact O-N 3.08Å; R59-A61 VanDerWaalsContact O-N 3.07Å | ||
| 60 | K | 31 | Very low | 30.6 | Very low | 205 Ų | 205 | 166.6 Ų | 166.6 | 89% | 0.891 | 84% | 0.837 | S | S | * | * | trans | -61.5 | 106.4 | 172.9 | -142.4 | 178.9 | -171.5 | -177 | 0 | 106.8 | R58 Q62 | R58-K60 PolarHBondContact O-N 2.9Å; K60-Q62 PolarHBondContact O-N 2.66Å | ||
| 61 | A | 30.4 | Very low | 30.9 | Very low | 94 Ų | 94 | 161.5 Ų | 161.5 | 78% | 0.777 | 83% | 0.828 | S | S | * | * | trans | -66 | 104.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | R59 R63 | R59-A61 PolarHBondContact O-N 3.08Å; R59-A61 VanDerWaalsContact O-N 3.07Å; A61-R63 PolarHBondContact O-N 3.17Å; A61-R63 VanDerWaalsContact O-N 3.16Å | ||
| 62 | Q | 32.1 | Very low | 31.1 | Very low | 185 Ų | 185 | 163.2 Ų | 163.2 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -72.1 | 103.2 | 166.5 | -108.5 | 168.8 | -24.6 | 0 | 0 | 107 | K60 L64 | K60-Q62 PolarHBondContact O-N 2.66Å; Q62-L64 PolarHBondContact O-N 2.93Å; Q62-L64 VanDerWaalsContact O-N 3.11Å | ||
| 63 | R | 27.4 | Very low | 31.2 | Very low | 233 Ų | 233 | 159.1 Ų | 159.1 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | trans | -61.2 | 107.8 | 161.6 | -84.1 | 178.4 | 169.4 | 176.2 | -4.7 | 106.8 | A61 C65 | A61-R63 PolarHBondContact O-N 3.17Å; A61-R63 VanDerWaalsContact O-N 3.16Å; R63-C65 PolarHBondContact O-N 2.96Å | ||
| 64 | L | 29.8 | Very low | 31.3 | Very low | 162 Ų | 162 | 162 Ų | 162 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | trans | -66.2 | 108.1 | 159 | -86.3 | 148.6 | 0 | 0 | 0 | 106.3 | Q62 V66 | Q62-L64 PolarHBondContact O-N 2.93Å; Q62-L64 VanDerWaalsContact O-N 3.11Å; L64-V66 PolarHBondContact O-N 3.32Å; L64-V66 VanDerWaalsContact O-N 3.12Å | ||
| 65 | C | 25.3 | Very low | 31.7 | Very low | 124 Ų | 124 | 165.6 Ų | 165.6 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | trans | -69.1 | 103.8 | 168.4 | -67 | 0 | 0 | 0 | 0 | 107.5 | R63 | R63-C65 PolarHBondContact O-N 2.96Š| ||
| 66 | V | 33.3 | Very low | 31.8 | Very low | 132 Ų | 132 | 162.8 Ų | 162.8 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | trans | -84.8 | 106.5 | 163.6 | 178.3 | 0 | 0 | 0 | 0 | 105.5 | L64 Y68 | L64-V66 PolarHBondContact O-N 3.32Å; L64-V66 VanDerWaalsContact O-N 3.12Å; V66-Y68 PolarHBondContact O-N 3.5Å | ||
| 67 | A | 29.2 | Very low | 32.1 | Very low | 98 Ų | 98 | 162.2 Ų | 162.2 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | trans | -81 | 110.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 68 | Y | 38.7 | Very low | 32.5 | Very low | 212 Ų | 212 | 161.2 Ų | 161.2 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | trans | -120.6 | 114.4 | 159.3 | -172.3 | -89.1 | 0 | 0 | 0 | 105.9 | V66 | V66-Y68 PolarHBondContact O-N 3.5Š| ||
| 69 | E | 39.2 | Very low | 33.1 | Very low | 194 Ų | 194 | 153.8 Ų | 153.8 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | trans | -133.4 | 122.5 | 167.6 | -72.4 | -172.4 | 166.1 | 0 | 0 | 108.6 | ||||
| 70 | G | 33.6 | Very low | 33.5 | Very low | 52 Ų | 52 | 150.8 Ų | 150.8 | 54% | 0.536 | 81% | 0.813 | S | S | . | * | trans | -100.5 | 144.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 71 | S | 33.7 | Very low | 34.1 | Very low | 107 Ų | 107 | 146.3 Ų | 146.3 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | 40.4 | 123.5 | 149.4 | 58.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 72 | D | 31 | Very low | 34.8 | Very low | 147 Ų | 147 | 149.7 Ų | 149.7 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | cis | -170.6 | 153.7 | 49.6 | -102.1 | -34.3 | 0 | 0 | 0 | 112.9 | ||||
| 73 | S | 29.6 | Very low | 35.6 | Very low | 102 Ų | 102 | 150.2 Ų | 150.2 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | trans | 69.2 | 104.6 | 145.3 | -54.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 74 | E | 30.8 | Very low | 36.8 | Very low | 170 Ų | 170 | 144.7 Ų | 144.7 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | 155.1 | 126.9 | 99.4 | -74.8 | -148.4 | 124.9 | 0 | 0 | 113 | |||||
| 75 | K | 38.8 | Very low | 38.4 | Very low | 200 Ų | 200 | 142.7 Ų | 142.7 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | trans | 31.4 | 107.8 | 154.2 | -65.2 | 175.7 | -177.3 | 168.2 | 0 | 119.3 | ||||
| 76 | G | 31.1 | Very low | 41.2 | Very low | 77 Ų | 77 | 141.3 Ų | 141.3 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -162.2 | 132.1 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 77 | E | 36.2 | Very low | 44 | Very low | 192 Ų | 192 | 139.5 Ų | 139.5 | 90% | 0.897 | 76% | 0.764 | S | S | * | * | trans | -16.1 | 135.5 | 179.6 | -66.7 | 163.7 | 140.8 | 0 | 0 | 118.7 | A79 | E77-A79 VanDerWaalsContact C-N 3.28Å; E77-A79 PolarHBondContact O-N 2.79Å | ||
| 78 | K | 38.5 | Very low | 47.2 | Very low | 216 Ų | 216 | 140 Ų | 140 | 94% | 0.939 | 75% | 0.749 | S | S | * | * | trans | -63.4 | 83.7 | 171 | -71.1 | -179 | 178.1 | 179.6 | 0 | 110.5 | E80 | K78-E80 PolarHBondContact O-N 3.43Š| ||
| 79 | A | 41.8 | Very low | 49.9 | Very low | 88 Ų | 88 | 130.2 Ų | 130.2 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | -76.2 | 109.4 | 155.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | E77 | E77-A79 VanDerWaalsContact C-N 3.28Å; E77-A79 PolarHBondContact O-N 2.79Å | ||
| 80 | E | 42.7 | Very low | 52.4 | Low | 177 Ų | 177 | 128.6 Ų | 128.6 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | trans | -56 | 126.2 | 164.9 | -75.2 | -143.1 | 146.3 | 0 | 0 | 107.9 | K78 L82 | K78-E80 PolarHBondContact O-N 3.43Å; E80-L82 PolarHBondContact O-N 3.36Å | ||
| 81 | P | 43.9 | Very low | 55.3 | Low | 110 Ų | 110 | 129.6 Ų | 129.6 | 71% | 0.714 | 70% | 0.697 | S | S | * | * | trans | -61.8 | 117 | 176.5 | -9.3 | 20.8 | 0 | 0 | 0 | 107 | K83 | P81-K83 VanDerWaalsContact C-N 3.29Å; P81-K83 PolarHBondContact O-N 2.99Å | ||
| 82 | L | 43.9 | Very low | 58.3 | Low | 166 Ų | 166 | 125.4 Ų | 125.4 | 87% | 0.869 | 67% | 0.665 | S | S | * | * | trans | -54.3 | 98.3 | 168 | -77.7 | 158.6 | 0 | 0 | 0 | 107.1 | E80 V84 | E80-L82 PolarHBondContact O-N 3.36Å; L82-V84 VanDerWaalsContact C-N 3.29Å; L82-V84 PolarHBondContact O-N 3.28Å | ||
| 83 | K | 48.2 | Very low | 61.5 | Low | 195 Ų | 195 | 124.2 Ų | 124.2 | 85% | 0.848 | 66% | 0.655 | S | S | * | * | trans | -66.2 | 92.9 | 179 | -72.4 | -179.5 | -177.3 | 174.8 | 0 | 107.2 | P81 P85 | P81-K83 VanDerWaalsContact C-N 3.29Å; P81-K83 PolarHBondContact O-N 2.99Å; K83-P85 WeakPolarHBondContact O-CD 3.19Å | ||
| 84 | V | 53.1 | Low | 64.8 | Low | 118 Ų | 118 | 123.9 Ų | 123.9 | 72% | 0.715 | 64% | 0.642 | S | S | * | * | trans | -55.7 | 125.5 | 165.6 | -174 | 0 | 0 | 0 | 0 | 105.9 | L82 V86 | L82-V84 VanDerWaalsContact C-N 3.29Å; L82-V84 PolarHBondContact O-N 3.28Å; V84-V86 PolarHBondContact O-N 2.85Å | ||
| 85 | P | 63.8 | Low | 68 | Low | 120 Ų | 120 | 115.9 Ų | 115.9 | 78% | 0.779 | 60% | 0.604 | S | S | * | * | trans | -60.3 | 111.8 | 179.3 | -18.4 | 29.2 | 0 | 0 | 0 | 108.2 | K83 W87 | K83-P85 WeakPolarHBondContact O-CD 3.19Å; P85-W87 PolarHBondContact O-N 2.64Å | ||
| 86 | V | 83.6 | Confident | 70.8 | Confident | 95 Ų | 95 | 106.5 Ų | 106.5 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | trans | -68 | 119.4 | 170.4 | 179.1 | 0 | 0 | 0 | 0 | 105.7 | V84 E88 E268 W269 | V84-V86 PolarHBondContact O-N 2.85Å; V86-E88 PolarHBondContact O-N 2.99Å; V86-E268 WeakPolarHBondContact CG1-O 3.43Å; V86-W269 HydrophobicContact CG1-CB 3.7Å | ||
| 87 | W | 93.3 | Very high | 74.1 | Confident | 94 Ų | 94 | 106.2 Ų | 106.2 | 36% | 0.356 | 55% | 0.547 | S | S | . | . | trans | -56.1 | 132.4 | 175.7 | 171.5 | 89 | 0 | 0 | 0 | 109.3 | P85 P89 T252 K253 W269 | P85-W87 PolarHBondContact O-N 2.64Å; W87-P89 HydrophobicContact CH2-CB 4.15Å; W87-P89 HydrophobicContact CH2-CG 3.75Å; W87-P89 HydrophobicContact CZ3-CG 3.95Å; W87-T252 VanDerWaalsContact CH2-C 3.46Å; W87-K253 VanDerWaalsContact CB-CE 3.44Å; W87-K253 HydrophobicContact CD2-CD 4.14Å; W87-K253 HydrophobicContact CD2-CG 3.37Å; W87-K253 HydrophobicContact CE3-CD 4.13Å; W87-K253 HydrophobicContact CE3-CG 3.35Å; W87-K253 HydrophobicContact CG-CD 4.35Å; W87-K253 HydrophobicContact CG-CG 4Å; W87-K253 HydrophobicContact CH2-CB 4.41Å; W87-K253 HydrophobicContact CH2-CG 3.92Å; W87-K253 VanDerWaalsContact CH2-N 3.29Å; W87-K253 HydrophobicContact CZ2-CB 4.42Å; W87-K253 HydrophobicContact CZ2-CG 3.93Å; W87-K253 HydrophobicContact CZ3-CB 4.48Å; W87-K253 HydrophobicContact CZ3-CG 3.64Å; W87-W269 AromaticContact CE3-CD1 3.97Å; W87-W269 HydrophobicContact CE3-CG 4.35Å; W87-W269 AromaticContact CZ3-CD1 3.74Å; W87-W269 HydrophobicContact CZ3-CG 4.38Å; W87-W269 AromaticContact CZ3-NE1 3.81Å; W87-W269 WeakPolarHBondContact O-CB 3.31Å | ||
| 88 | E | 94.9 | Very high | 77 | Confident | 107 Ų | 107 | 98.2 Ų | 98.2 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | trans | -129 | 151.6 | 172 | 60.9 | 179.5 | -172.1 | 0 | 0 | 110.5 | V86 W92 W269 | V86-E88 PolarHBondContact O-N 2.99Å; E88-W92 PolarHBondContact OE2-NE1 3.44Å; E88-W269 HydrophobicContact CB-CE3 4.03Å | ||
| 89 | P | 95.4 | Very high | 79.9 | Confident | 7 Ų | 7 | 87.9 Ų | 87.9 | 5% | 0.045 | 47% | 0.465 | C | S | . | . | trans | -67.4 | 145.4 | 177.9 | -12.6 | 25.2 | 0 | 0 | 0 | 111.7 | W87 D91 W92 W251 W269 | W87-P89 HydrophobicContact CH2-CB 4.15Å; W87-P89 HydrophobicContact CH2-CG 3.75Å; W87-P89 HydrophobicContact CZ3-CG 3.95Å; P89-D91 PolarHBondContact O-N 2.95Å; P89-W92 HydrophobicContact CB-CB 4.13Å; P89-W92 HydrophobicContact CG-CB 4.24Å; P89-W251 HydrophobicContact CG-CB 4.3Å; P89-W251 HydrophobicContact CG-CG 4.39Å; P89-W269 VanDerWaalsContact CD-CD2 3.48Å; P89-W269 VanDerWaalsContact CD-CE2 3.46Å; P89-W269 HydrophobicContact CG-CD2 4.2Å; P89-W269 HydrophobicContact CG-CE3 4.45Å; P89-W269 HydrophobicContact CG-CH2 3.72Å; P89-W269 HydrophobicContact CG-CZ2 3.39Å; P89-W269 HydrophobicContact CG-CZ3 4.24Å | ||
| 90 | Q | 92.6 | Very high | 82.6 | Confident | 161 Ų | 161 | 88.2 Ų | 88.2 | 75% | 0.752 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 141.6 | 173.1 | -165.6 | 179 | -6.4 | 0 | 0 | 111 | W92 | Q90-W92 PolarHBondContact O-N 3.39Š|
| 91 | D | 94.9 | Very high | 85.3 | Confident | 72 Ų | 72 | 82.2 Ų | 82.2 | 39% | 0.385 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 10.9 | 176.6 | -50.6 | -45.4 | 0 | 0 | 0 | 115.8 | P89 Q93 Q94 Q95 L305 | P89-D91 PolarHBondContact O-N 2.95Å; D91-Q93 PolarHBondContact O-N 2.87Å; D91-Q93 VanDerWaalsContact O-N 3.16Å; D91-Q94 PolarHBondContact O-N 3.36Å; D91-Q94 VanDerWaalsContact O-N 3.15Å; D91-Q95 HydrophobicContact CB-CG 4.42Å; D91-Q95 WeakPolarHBondContact O-CB 3.47Å; D91-Q95 VanDerWaalsContact O-CG 3.26Å; D91-Q95 WeakPolarHBondContact O-CG 3.34Å; D91-Q95 PolarHBondContact O-N 3.35Å; D91-L305 HydrophobicContact CB-CD2 4.39Å |
| 92 | W | 97.1 | Very high | 87.8 | Confident | 20 Ų | 20 | 79 Ų | 79 | 8% | 0.076 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -56.2 | -38.3 | -174.2 | 78.7 | -99.3 | 0 | 0 | 0 | 112.8 | E88 P89 Q90 Q95 L96 W269 L270 P271 L274 | E88-W92 PolarHBondContact OE2-NE1 3.44Å; P89-W92 HydrophobicContact CB-CB 4.13Å; P89-W92 HydrophobicContact CG-CB 4.24Å; Q90-W92 PolarHBondContact O-N 3.39Å; W92-Q95 PolarHBondContact O-N 3.02Å; W92-L96 HydrophobicContact CE3-CD2 4.42Å; W92-L96 HydrophobicContact CZ3-CD2 3.92Å; W92-L96 WeakPolarHBondContact O-CB 3.34Å; W92-L96 PolarHBondContact O-N 3.11Å; W92-W269 HydrophobicContact CB-CH2 4Å; W92-W269 HydrophobicContact CB-CZ3 4.18Å; W92-W269 AromaticContact CD1-CZ3 3.97Å; W92-W269 HydrophobicContact CD2-CH2 4.04Å; W92-W269 AromaticContact CD2-CZ3 3.49Å; W92-W269 HydrophobicContact CD2-CZ3 3.49Å; W92-W269 VanDerWaalsContact CD2-CZ3 3.49Å; W92-W269 AromaticContact CE2-CZ3 3.76Å; W92-W269 HydrophobicContact CE3-CH2 4.2Å; W92-W269 AromaticContact CE3-CZ3 3.87Å; W92-W269 HydrophobicContact CE3-CZ3 3.87Å; W92-W269 AromaticContact CG-CH2 3.97Å; W92-W269 HydrophobicContact CG-CH2 3.97Å; W92-W269 AromaticContact CG-CZ3 3.64Å; W92-W269 HydrophobicContact CG-CZ3 3.64Å; W92-W269 HydrophobicContact CZ2-CZ3 4.36Å; W92-W269 HydrophobicContact CZ3-CZ3 4.46Å; W92-L270 HydrophobicContact CE3-CD1 4.38Å; W92-L270 HydrophobicContact CZ3-CD1 4.11Å; W92-P271 HydrophobicContact CH2-CG 4.01Å; W92-P271 HydrophobicContact CZ2-CG 4.35Å; W92-L274 HydrophobicContact CH2-CD1 3.93Å; W92-L274 HydrophobicContact CZ3-CD1 3.74Å |
| 93 | Q | 97.8 | Very high | 90.4 | Very high | 122 Ų | 122 | 71.6 Ų | 71.6 | 57% | 0.57 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.2 | -50.9 | 179.6 | -65.5 | -179.4 | -21.7 | 0 | 0 | 110.9 | D91 Q95 L96 V97 | D91-Q93 PolarHBondContact O-N 2.87Å; D91-Q93 VanDerWaalsContact O-N 3.16Å; Q93-Q95 VanDerWaalsContact C-N 3.3Å; Q93-Q95 PolarHBondContact O-N 3.12Å; Q93-L96 PolarHBondContact O-N 3.16Å; Q93-V97 WeakPolarHBondContact O-CG2 3.23Å; Q93-V97 PolarHBondContact O-N 3.47Å |
| 94 | Q | 98.4 | Very high | 92.8 | Very high | 94 Ų | 94 | 66.5 Ų | 66.5 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 178 | -171.9 | 59.8 | 53.4 | 0 | 0 | 111 | D91 L96 V97 N98 L305 | D91-Q94 PolarHBondContact O-N 3.36Å; D91-Q94 VanDerWaalsContact O-N 3.15Å; Q94-L96 VanDerWaalsContact C-N 3.33Å; Q94-L96 PolarHBondContact O-N 3.07Å; Q94-V97 PolarHBondContact O-N 3.39Å; Q94-N98 PolarHBondContact NE2-OD1 2.94Å; Q94-N98 WeakPolarHBondContact O-CB 3.38Å; Q94-N98 PolarHBondContact O-N 2.87Å; Q94-N98 PolarHBondContact O-ND2 2.9Å; Q94-L305 HydrophobicContact CB-CD1 3.98Å; Q94-L305 HydrophobicContact CG-CD1 3.54Å |
| 95 | Q | 98.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.009 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 175.3 | -70.4 | 169.3 | 1.3 | 0 | 0 | 112.1 | D91 W92 Q93 N98 I99 W251 N302 L305 | D91-Q95 HydrophobicContact CB-CG 4.42Å; D91-Q95 WeakPolarHBondContact O-CB 3.47Å; D91-Q95 VanDerWaalsContact O-CG 3.26Å; D91-Q95 WeakPolarHBondContact O-CG 3.34Å; D91-Q95 PolarHBondContact O-N 3.35Å; W92-Q95 PolarHBondContact O-N 3.02Å; Q93-Q95 VanDerWaalsContact C-N 3.3Å; Q93-Q95 PolarHBondContact O-N 3.12Å; Q95-N98 PolarHBondContact O-N 3.48Å; Q95-I99 WeakPolarHBondContact O-CD1 3.35Å; Q95-I99 VanDerWaalsContact O-CG1 3.24Å; Q95-I99 WeakPolarHBondContact O-CG1 3.17Å; Q95-I99 PolarHBondContact O-N 3.12Å; Q95-W251 HydrophobicContact CB-CZ2 4.34Å; Q95-N302 VanDerWaalsContact CA-OD1 3.3Å; Q95-N302 WeakPolarHBondContact CA-OD1 2.99Å; Q95-N302 PolarHBondContact O-ND2 3.21Å; Q95-L305 HydrophobicContact CG-CB 4.08Å; Q95-L305 HydrophobicContact CG-CD1 4.35Å; Q95-L305 PolarHBondContact NE2-O 3.39Å; Q95-L305 VanDerWaalsContact NE2-O 3.08Å |
| 96 | L | 98.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.016 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.5 | -44 | 176.2 | -178.8 | 62.9 | 0 | 0 | 0 | 111.8 | W92 Q93 Q94 N98 I99 R100 W251 L274 I278 L281 | W92-L96 HydrophobicContact CE3-CD2 4.42Å; W92-L96 HydrophobicContact CZ3-CD2 3.92Å; W92-L96 WeakPolarHBondContact O-CB 3.34Å; W92-L96 PolarHBondContact O-N 3.11Å; Q93-L96 PolarHBondContact O-N 3.16Å; Q94-L96 VanDerWaalsContact C-N 3.33Å; Q94-L96 PolarHBondContact O-N 3.07Å; L96-N98 VanDerWaalsContact C-N 3.32Å; L96-N98 PolarHBondContact O-N 3.29Å; L96-I99 PolarHBondContact O-N 3.12Å; L96-R100 WeakPolarHBondContact O-CG 3.47Å; L96-R100 PolarHBondContact O-N 3.23Å; L96-W251 HydrophobicContact CD1-CH2 4.24Å; L96-L274 HydrophobicContact CD2-CD1 3.87Å; L96-I278 HydrophobicContact CD1-CD1 4.35Å; L96-L281 HydrophobicContact CD1-CD2 3.49Å; L96-L281 VanDerWaalsContact CD1-CD2 3.49Å |
| 97 | V | 98.6 | Very high | 97 | Very high | 72 Ų | 72 | 69.3 Ų | 69.3 | 44% | 0.436 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56.2 | -47.1 | 174.5 | 167.7 | 0 | 0 | 0 | 0 | 110.9 | Q93 Q94 I99 R100 A101 | Q93-V97 WeakPolarHBondContact O-CG2 3.23Å; Q93-V97 PolarHBondContact O-N 3.47Å; Q94-V97 PolarHBondContact O-N 3.39Å; V97-I99 PolarHBondContact O-N 2.66Å; V97-R100 WeakPolarHBondContact O-CB 3.41Å; V97-R100 PolarHBondContact O-N 3.34Å; V97-A101 PolarHBondContact O-N 3.48Å |
| 98 | N | 98.6 | Very high | 97.2 | Very high | 23 Ų | 23 | 64.9 Ų | 64.9 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63 | -40.7 | 178 | -74.6 | -9.1 | 0 | 0 | 0 | 112.3 | Q94 Q95 L96 A101 M102 L301 N302 | Q94-N98 PolarHBondContact NE2-OD1 2.94Å; Q94-N98 WeakPolarHBondContact O-CB 3.38Å; Q94-N98 PolarHBondContact O-N 2.87Å; Q94-N98 PolarHBondContact O-ND2 2.9Å; Q95-N98 PolarHBondContact O-N 3.48Å; L96-N98 VanDerWaalsContact C-N 3.32Å; L96-N98 PolarHBondContact O-N 3.29Å; N98-A101 PolarHBondContact O-N 2.83Å; N98-M102 WeakPolarHBondContact O-CE 3.46Å; N98-M102 WeakPolarHBondContact O-CG 3.43Å; N98-M102 PolarHBondContact O-N 3.19Å; N98-L301 HydrophobicContact CB-CB 3.81Å; N98-L301 PolarHBondContact ND2-O 3.4Å; N98-L301 VanDerWaalsContact ND2-O 3.16Å; N98-N302 WeakPolarHBondContact CB-OD1 3.49Å; N98-N302 PolarHBondContact ND2-OD1 2.96Å |
| 99 | I | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 175.1 | -67.8 | 163.3 | 0 | 0 | 0 | 110.3 | Q95 L96 V97 A101 M102 R103 L249 W251 L281 L282 F285 N302 | Q95-I99 WeakPolarHBondContact O-CD1 3.35Å; Q95-I99 VanDerWaalsContact O-CG1 3.24Å; Q95-I99 WeakPolarHBondContact O-CG1 3.17Å; Q95-I99 PolarHBondContact O-N 3.12Å; L96-I99 PolarHBondContact O-N 3.12Å; V97-I99 PolarHBondContact O-N 2.66Å; I99-A101 VanDerWaalsContact C-N 3.3Å; I99-A101 PolarHBondContact O-N 3.47Å; I99-M102 HydrophobicContact CG1-CE 4.3Å; I99-M102 PolarHBondContact O-N 3.11Å; I99-R103 HydrophobicContact CG2-CG 4.21Å; I99-R103 VanDerWaalsContact O-CB 3.26Å; I99-R103 WeakPolarHBondContact O-CB 3.29Å; I99-R103 WeakPolarHBondContact O-CG 3.42Å; I99-R103 PolarHBondContact O-N 3Å; I99-L249 HydrophobicContact CD1-CD1 3.91Å; I99-W251 HydrophobicContact CD1-CH2 4.32Å; I99-W251 HydrophobicContact CD1-CZ2 4.38Å; I99-L281 HydrophobicContact CG2-CD1 3.97Å; I99-L281 HydrophobicContact CG2-CD2 3.92Å; I99-L281 HydrophobicContact CG2-CG 3.68Å; I99-L282 HydrophobicContact CD1-CD2 3.88Å; I99-L282 HydrophobicContact CG2-CD2 4.27Å; I99-F285 HydrophobicContact CD1-CD1 4.31Å; I99-F285 HydrophobicContact CD1-CE1 4.27Å; I99-F285 HydrophobicContact CG1-CD1 4.2Å; I99-F285 HydrophobicContact CG1-CD2 4.49Å; I99-F285 HydrophobicContact CG1-CE1 4.11Å; I99-F285 HydrophobicContact CG1-CE2 4.42Å; I99-F285 HydrophobicContact CG1-CG 4.39Å; I99-F285 HydrophobicContact CG1-CZ 4.24Å; I99-F285 HydrophobicContact CG2-CB 3.98Å; I99-F285 HydrophobicContact CG2-CD1 4.36Å; I99-F285 HydrophobicContact CG2-CD2 4.27Å; I99-F285 HydrophobicContact CG2-CG 3.96Å; I99-N302 WeakPolarHBondContact CG1-ND2 3.39Å |
| 100 | R | 98.6 | Very high | 97.3 | Very high | 95 Ų | 95 | 62.3 Ų | 62.3 | 36% | 0.358 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58 | -42.7 | 175.4 | -72.9 | 173.2 | 174.7 | 159.2 | -5.5 | 111.7 | L96 V97 R103 S104 L274 E277 L281 | L96-R100 WeakPolarHBondContact O-CG 3.47Å; L96-R100 PolarHBondContact O-N 3.23Å; V97-R100 WeakPolarHBondContact O-CB 3.41Å; V97-R100 PolarHBondContact O-N 3.34Å; R100-R103 CarbonylContact O-C 3.52Å; R100-R103 PolarHBondContact O-N 3.49Å; R100-R103 VanDerWaalsContact O-N 3.14Å; R100-S104 PolarHBondContact O-N 3.22Å; R100-L274 VanDerWaalsContact NH2-CD2 3.32Å; R100-E277 IonicContact CZ-OE1 3.51Å; R100-E277 IonicContact CZ-OE2 2.77Å; R100-E277 IonicContact NE-OE1 3.66Å; R100-E277 IonicContact NE-OE2 2.71Å; R100-E277 PolarHBondContact NE-OE2 2.99Å; R100-E277 IonicContact NH2-OE1 2.9Å; R100-E277 PolarHBondContact NH2-OE1 3.35Å; R100-E277 IonicContact NH2-OE2 2.76Å; R100-E277 PolarHBondContact NH2-OE2 2.99Å; R100-L281 HydrophobicContact CG-CD1 4.29Å; R100-L281 HydrophobicContact CG-CD2 3.92Å |
| 101 | A | 98.6 | Very high | 97.5 | Very high | 51 Ų | 51 | 56 Ų | 56 | 42% | 0.421 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | V97 N98 I99 R103 S104 L301 | V97-A101 PolarHBondContact O-N 3.48Å; N98-A101 PolarHBondContact O-N 2.83Å; I99-A101 VanDerWaalsContact C-N 3.3Å; I99-A101 PolarHBondContact O-N 3.47Å; A101-R103 PolarHBondContact O-N 3.38Å; A101-S104 WeakPolarHBondContact O-CB 3.41Å; A101-S104 PolarHBondContact O-N 2.95Å; A101-S104 PolarHBondContact O-OG 3.13Å; A101-L301 HydrophobicContact CB-CD1 4.01Å |
| 102 | M | 98.3 | Very high | 97.6 | Very high | 42 Ų | 42 | 58.1 Ų | 58.1 | 21% | 0.207 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.9 | -24.6 | 175.2 | -71.5 | -176 | -74.6 | 0 | 0 | 113.1 | N98 I99 F285 T289 L301 | N98-M102 WeakPolarHBondContact O-CE 3.46Å; N98-M102 WeakPolarHBondContact O-CG 3.43Å; N98-M102 PolarHBondContact O-N 3.19Å; I99-M102 HydrophobicContact CG1-CE 4.3Å; I99-M102 PolarHBondContact O-N 3.11Å; M102-F285 HydrophobicContact CE-CD2 4.15Å; M102-F285 HydrophobicContact CE-CE2 3.34Å; M102-F285 HydrophobicContact CE-CZ 3.9Å; M102-F285 HydrophobicContact SD-CE2 3.89Å; M102-T289 HydrophobicContact SD-CG2 4.35Å; M102-L301 HydrophobicContact CE-CB 4.12Å; M102-L301 HydrophobicContact CG-CB 4.32Å; M102-L301 HydrophobicContact CG-CD1 3.8Å; M102-L301 HydrophobicContact CG-CG 3.78Å; M102-L301 HydrophobicContact SD-CB 4.12Å; M102-L301 HydrophobicContact SD-CG 4.06Å; M102-L301 PolarHBondContact SD-N 3.31Å; M102-L301 VanDerWaalsContact SD-N 3.43Å |
| 103 | R | 97.9 | Very high | 97.5 | Very high | 10 Ų | 10 | 59.7 Ų | 59.7 | 4% | 0.038 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 8.3 | -177.8 | -64.2 | -64.7 | -64.5 | 125.4 | 15.6 | 113.9 | I99 R100 A101 K105 K106 D107 A108 D111 L281 F285 | I99-R103 HydrophobicContact CG2-CG 4.21Å; I99-R103 VanDerWaalsContact O-CB 3.26Å; I99-R103 WeakPolarHBondContact O-CB 3.29Å; I99-R103 WeakPolarHBondContact O-CG 3.42Å; I99-R103 PolarHBondContact O-N 3Å; R100-R103 CarbonylContact O-C 3.52Å; R100-R103 PolarHBondContact O-N 3.49Å; R100-R103 VanDerWaalsContact O-N 3.14Å; A101-R103 PolarHBondContact O-N 3.38Å; R103-K105 PolarHBondContact O-N 2.98Å; R103-K106 PolarHBondContact O-N 3.47Å; R103-K106 VanDerWaalsContact O-N 3.08Å; R103-D107 IonicContact NH1-OD1 3.24Å; R103-D107 PolarHBondContact NH1-OD1 2.94Å; R103-A108 VanDerWaalsContact NH1-CB 3.33Å; R103-D111 IonicContact CZ-OD2 3.4Å; R103-D111 IonicContact NH1-OD2 2.63Å; R103-D111 PolarHBondContact NH1-OD2 3.37Å; R103-D111 IonicContact NH2-OD1 3.4Å; R103-D111 PolarHBondContact NH2-OD1 2.97Å; R103-D111 IonicContact NH2-OD2 3.96Å; R103-D111 PolarHBondContact NH2-OD2 3.13Å; R103-L281 HydrophobicContact CB-CD1 3.68Å; R103-L281 HydrophobicContact CG-CD1 3.98Å; R103-F285 HydrophobicContact CG-CB 4.18Å |
| 104 | S | 97.7 | Very high | 97.3 | Very high | 88 Ų | 88 | 54.2 Ų | 54.2 | 62% | 0.615 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -33 | -176.9 | 53.7 | 0 | 0 | 0 | 0 | 113.4 | R100 A101 K106 | R100-S104 PolarHBondContact O-N 3.22Å; A101-S104 WeakPolarHBondContact O-CB 3.41Å; A101-S104 PolarHBondContact O-N 2.95Å; A101-S104 PolarHBondContact O-OG 3.13Å; S104-K106 VanDerWaalsContact C-N 3.33Å; S104-K106 PolarHBondContact O-N 3.09Å |
| 105 | K | 97.2 | Very high | 97.1 | Very high | 169 Ų | 169 | 50.9 Ų | 50.9 | 74% | 0.735 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -17.7 | 180 | -66.6 | -176.2 | 179.3 | 179.3 | 0 | 114.7 | R103 D107 | R103-K105 PolarHBondContact O-N 2.98Å; K105-D107 VanDerWaalsContact C-N 3.29Å; K105-D107 HydrophobicContact CB-CB 4.29Å; K105-D107 PolarHBondContact O-N 3.01Å |
| 106 | K | 95.8 | Very high | 96.9 | Very high | 142 Ų | 142 | 56.4 Ų | 56.4 | 62% | 0.617 | 29% | 0.292 | S | S | * | . | trans | 46.5 | 50.4 | -175.5 | -62.2 | -171.4 | 176.4 | -173.4 | 0 | 113.2 | R103 S104 D111 H112 | R103-K106 PolarHBondContact O-N 3.47Å; R103-K106 VanDerWaalsContact O-N 3.08Å; S104-K106 VanDerWaalsContact C-N 3.33Å; S104-K106 PolarHBondContact O-N 3.09Å; K106-D111 VanDerWaalsContact C-CG 3.48Å; K106-D111 VanDerWaalsContact CA-OD2 3.24Å; K106-D111 WeakPolarHBondContact CA-OD2 3.2Å; K106-D111 HydrophobicContact CB-CB 4.07Å; K106-D111 VanDerWaalsContact O-CB 3.24Å; K106-D111 WeakPolarHBondContact O-CB 3.49Å; K106-H112 PolarHBondContact O-CE1 2.94Å; K106-H112 PolarHBondContact O-NE2 3.15Å | ||
| 107 | D | 96.7 | Very high | 96.7 | Very high | 81 Ų | 81 | 60.7 Ų | 60.7 | 43% | 0.433 | 31% | 0.312 | S | S | . | . | trans | -109.7 | 15.3 | -174.7 | 62.6 | -10.9 | 0 | 0 | 0 | 113.7 | R103 K105 D111 Q288 | R103-D107 IonicContact NH1-OD1 3.24Å; R103-D107 PolarHBondContact NH1-OD1 2.94Å; K105-D107 VanDerWaalsContact C-N 3.29Å; K105-D107 HydrophobicContact CB-CB 4.29Å; K105-D107 PolarHBondContact O-N 3.01Å; D107-D111 PolarHBondContact N-OD2 3.41Å; D107-D111 VanDerWaalsContact N-OD2 3.16Å; D107-Q288 PolarHBondContact O-NE2 2.61Å; D107-Q288 PolarHBondContact OD1-NE2 2.9Å | ||
| 108 | A | 97.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -84.3 | 155.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | R103 V110 D111 Q288 | R103-A108 VanDerWaalsContact NH1-CB 3.33Å; A108-V110 HydrophobicContact CB-CG1 4.21Å; A108-V110 PolarHBondContact O-N 3.14Å; A108-V110 VanDerWaalsContact O-N 3.12Å; A108-D111 WeakPolarHBondContact CA-OD2 3.3Å; A108-D111 WeakPolarHBondContact CB-OD2 3.43Å; A108-D111 PolarHBondContact N-OD2 2.7Å; A108-D111 WeakPolarHBondContact O-CB 3.49Å; A108-D111 PolarHBondContact O-N 3.14Å; A108-Q288 HydrophobicContact CB-CG 4.12Å |
| 109 | P | 96.4 | Very high | 96.4 | Very high | 38 Ų | 38 | 59.3 Ų | 59.3 | 25% | 0.247 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -42 | 174.9 | -31.5 | 36.2 | 0 | 0 | 0 | 114.4 | D111 H112 L113 D144 | P109-D111 PolarHBondContact O-N 2.93Å; P109-H112 PolarHBondContact O-N 3.36Å; P109-L113 WeakPolarHBondContact O-CA 2.95Å; P109-L113 VanDerWaalsContact O-CB 3.25Å; P109-L113 WeakPolarHBondContact O-CB 3.33Å; P109-L113 PolarHBondContact O-N 3Å; P109-D144 HydrophobicContact CB-CB 4.25Å |
| 110 | V | 96.2 | Very high | 96.3 | Very high | 23 Ų | 23 | 62.2 Ų | 62.2 | 14% | 0.139 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.9 | -28.2 | -180 | 69.1 | 0 | 0 | 0 | 0 | 113.6 | A108 H112 G114 D144 V283 | A108-V110 HydrophobicContact CB-CG1 4.21Å; A108-V110 PolarHBondContact O-N 3.14Å; A108-V110 VanDerWaalsContact O-N 3.12Å; V110-H112 VanDerWaalsContact C-N 3.26Å; V110-H112 PolarHBondContact O-N 2.95Å; V110-G114 VanDerWaalsContact O-CA 3.24Å; V110-G114 WeakPolarHBondContact O-CA 3.45Å; V110-G114 PolarHBondContact O-N 3.45Å; V110-D144 PolarHBondContact N-OD2 2.77Å; V110-V283 HydrophobicContact CB-CG1 3.77Å; V110-V283 HydrophobicContact CG1-CB 4.34Å; V110-V283 HydrophobicContact CG1-CG1 3.97Å; V110-V283 HydrophobicContact CG2-CB 4.31Å; V110-V283 HydrophobicContact CG2-CG1 3.8Å |
| 111 | D | 96.7 | Very high | 96.1 | Very high | 29 Ų | 29 | 62.2 Ų | 62.2 | 16% | 0.155 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -76.2 | -12.6 | -177 | -54.5 | -53.9 | 0 | 0 | 0 | 113.8 | R103 K106 D107 A108 P109 H117 | R103-D111 IonicContact CZ-OD2 3.4Å; R103-D111 IonicContact NH1-OD2 2.63Å; R103-D111 PolarHBondContact NH1-OD2 3.37Å; R103-D111 IonicContact NH2-OD1 3.4Å; R103-D111 PolarHBondContact NH2-OD1 2.97Å; R103-D111 IonicContact NH2-OD2 3.96Å; R103-D111 PolarHBondContact NH2-OD2 3.13Å; K106-D111 VanDerWaalsContact C-CG 3.48Å; K106-D111 VanDerWaalsContact CA-OD2 3.24Å; K106-D111 WeakPolarHBondContact CA-OD2 3.2Å; K106-D111 HydrophobicContact CB-CB 4.07Å; K106-D111 VanDerWaalsContact O-CB 3.24Å; K106-D111 WeakPolarHBondContact O-CB 3.49Å; D107-D111 PolarHBondContact N-OD2 3.41Å; D107-D111 VanDerWaalsContact N-OD2 3.16Å; A108-D111 WeakPolarHBondContact CA-OD2 3.3Å; A108-D111 WeakPolarHBondContact CB-OD2 3.43Å; A108-D111 PolarHBondContact N-OD2 2.7Å; A108-D111 WeakPolarHBondContact O-CB 3.49Å; A108-D111 PolarHBondContact O-N 3.14Å; P109-D111 PolarHBondContact O-N 2.93Å; D111-H117 PolarHBondContact O-CD2 3.48Å; D111-H117 PolarHBondContact O-NE2 3.44Å |
| 112 | H | 96.1 | Very high | 95.9 | Very high | 116 Ų | 116 | 64.6 Ų | 64.6 | 54% | 0.537 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -127.8 | -23.3 | -177.8 | -55.3 | -38.7 | 0 | 0 | 0 | 112.3 | K106 P109 V110 H117 | K106-H112 PolarHBondContact O-CE1 2.94Å; K106-H112 PolarHBondContact O-NE2 3.15Å; P109-H112 PolarHBondContact O-N 3.36Å; V110-H112 VanDerWaalsContact C-N 3.26Å; V110-H112 PolarHBondContact O-N 2.95Å; H112-H117 VanDerWaalsContact O-CB 3.27Å; H112-H117 WeakPolarHBondContact O-CB 3.36Å |
| 113 | L | 95.8 | Very high | 95.8 | Very high | 52 Ų | 52 | 63.2 Ų | 63.2 | 27% | 0.272 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -125.2 | 3 | -172.4 | -52.3 | 171.2 | 0 | 0 | 0 | 111.8 | P109 C118 D144 Q145 A148 | P109-L113 WeakPolarHBondContact O-CA 2.95Å; P109-L113 VanDerWaalsContact O-CB 3.25Å; P109-L113 WeakPolarHBondContact O-CB 3.33Å; P109-L113 PolarHBondContact O-N 3Å; L113-C118 PolarHBondContact O-SG 3.02Å; L113-C118 VanDerWaalsContact O-SG 3.41Å; L113-D144 HydrophobicContact CB-CB 3.82Å; L113-Q145 HydrophobicContact CD1-CB 4.25Å; L113-Q145 HydrophobicContact CD1-CG 3.59Å; L113-A148 HydrophobicContact CB-CB 4.12Å; L113-A148 HydrophobicContact CD2-CB 3.85Å |
| 114 | G | 93.3 | Very high | 95.8 | Very high | 7 Ų | 7 | 66.7 Ų | 66.7 | 7% | 0.072 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -64.8 | 175.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | V110 E116 H117 C118 | V110-G114 VanDerWaalsContact O-CA 3.24Å; V110-G114 WeakPolarHBondContact O-CA 3.45Å; V110-G114 PolarHBondContact O-N 3.45Å; G114-E116 PolarHBondContact O-N 3.03Å; G114-E116 VanDerWaalsContact O-N 3.13Å; G114-H117 PolarHBondContact O-N 3.33Å; G114-C118 PolarHBondContact O-N 2.89Å; G114-C118 PolarHBondContact O-SG 3.31Å |
| 115 | V | 94 | Very high | 95.8 | Very high | 24 Ų | 24 | 65.7 Ų | 65.7 | 15% | 0.145 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -54.1 | -33.8 | -179.9 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | H117 C118 V132 S135 L136 L224 V228 | V115-H117 PolarHBondContact O-N 3.45Å; V115-H117 VanDerWaalsContact O-N 3.14Å; V115-C118 PolarHBondContact O-N 3.21Å; V115-V132 HydrophobicContact CG2-CG1 3.77Å; V115-S135 WeakPolarHBondContact CG2-OG 3.4Å; V115-L136 HydrophobicContact CB-CD2 3.96Å; V115-L136 HydrophobicContact CB-CG 4.44Å; V115-L136 HydrophobicContact CG1-CD2 4.29Å; V115-L136 HydrophobicContact CG2-CD1 4.26Å; V115-L136 HydrophobicContact CG2-CD2 3.81Å; V115-L136 HydrophobicContact CG2-CG 3.79Å; V115-L224 HydrophobicContact CG1-CD1 4.43Å; V115-V228 HydrophobicContact CG1-CG2 4Å; V115-V228 HydrophobicContact CG2-CG1 4.33Å; V115-V228 HydrophobicContact CG2-CG2 4.47Å |
| 116 | E | 93.6 | Very high | 95.9 | Very high | 118 Ų | 118 | 61.8 Ų | 61.8 | 55% | 0.551 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -64.3 | -16.4 | 179.6 | -66.2 | -176.6 | -164.9 | 0 | 0 | 113.7 | G114 Y119 V228 | G114-E116 PolarHBondContact O-N 3.03Å; G114-E116 VanDerWaalsContact O-N 3.13Å; E116-Y119 WeakPolarHBondContact O-CE1 3.31Å; E116-Y119 PolarHBondContact O-OH 2.68Å; E116-V228 HydrophobicContact CG-CG1 4.24Å; E116-V228 HydrophobicContact CG-CG2 3.92Å |
| 117 | H | 94.7 | Very high | 96 | Very high | 94 Ų | 94 | 56.6 Ų | 56.6 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -113.7 | -3.2 | -179.1 | -57.6 | -66.1 | 0 | 0 | 0 | 113.2 | D111 H112 G114 V115 Y119 | D111-H117 PolarHBondContact O-CD2 3.48Å; D111-H117 PolarHBondContact O-NE2 3.44Å; H112-H117 VanDerWaalsContact O-CB 3.27Å; H112-H117 WeakPolarHBondContact O-CB 3.36Å; G114-H117 PolarHBondContact O-N 3.33Å; V115-H117 PolarHBondContact O-N 3.45Å; V115-H117 VanDerWaalsContact O-N 3.14Å; H117-Y119 PolarHBondContact O-N 2.93Å |
| 118 | C | 94.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 56.6 Ų | 56.6 | 3% | 0.027 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -92.6 | 15.9 | -173 | -75 | 0 | 0 | 0 | 0 | 114.6 | L113 G114 V115 M151 R155 | L113-C118 PolarHBondContact O-SG 3.02Å; L113-C118 VanDerWaalsContact O-SG 3.41Å; G114-C118 PolarHBondContact O-N 2.89Å; G114-C118 PolarHBondContact O-SG 3.31Å; V115-C118 PolarHBondContact O-N 3.21Å; C118-M151 HydrophobicContact CB-CB 4.43Å; C118-M151 HydrophobicContact CB-CG 4.17Å; C118-M151 VanDerWaalsContact O-CE 3.25Å; C118-M151 WeakPolarHBondContact O-CE 3.44Å; C118-R155 PolarHBondContact O-NH1 2.98Å |
| 119 | Y | 96.5 | Very high | 96.1 | Very high | 61 Ų | 61 | 58.3 Ų | 58.3 | 24% | 0.239 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -128.9 | 159.1 | 175.7 | 61.3 | -97.1 | 0 | 0 | 0 | 111.8 | E116 H117 R128 V132 R155 V228 | E116-Y119 WeakPolarHBondContact O-CE1 3.31Å; E116-Y119 PolarHBondContact O-OH 2.68Å; H117-Y119 PolarHBondContact O-N 2.93Å; Y119-R128 VanDerWaalsContact CD2-CD 3.46Å; Y119-R128 HydrophobicContact CD2-CG 3.33Å; Y119-R128 VanDerWaalsContact CE2-CD 3.45Å; Y119-R128 HydrophobicContact CE2-CG 3.85Å; Y119-R128 HydrophobicContact CG-CG 3.78Å; Y119-V132 HydrophobicContact CD1-CG2 3.41Å; Y119-V132 VanDerWaalsContact CD1-CG2 3.41Å; Y119-V132 HydrophobicContact CE1-CG2 4Å; Y119-V132 HydrophobicContact CG-CG2 3.96Å; Y119-R155 VanDerWaalsContact CA-NH1 3.27Å; Y119-R155 PolarHBondContact O-NH1 3.38Å; Y119-V228 HydrophobicContact CE1-CG1 3.92Å |
| 120 | D | 96.1 | Very high | 96.2 | Very high | 61 Ų | 61 | 56.6 Ų | 56.6 | 33% | 0.326 | 30% | 0.304 | S | S | . | . | trans | -80.9 | 116.6 | 172.7 | 178.9 | -0.4 | 0 | 0 | 0 | 109.4 | S122 A123 | D120-S122 VanDerWaalsContact C-N 3.27Å; D120-S122 PolarHBondContact O-N 3.49Å; D120-S122 WeakPolarHBondContact OD1-CB 3.48Å; D120-S122 PolarHBondContact OD1-N 2.88Å; D120-S122 PolarHBondContact OD1-OG 2.94Å; D120-S122 PolarHBondContact OD2-OG 3.45Å; D120-A123 HydrophobicContact CB-CB 3.9Å; D120-A123 WeakPolarHBondContact O-CB 3.45Å; D120-A123 PolarHBondContact O-N 3.2Å; D120-A123 PolarHBondContact OD1-N 3.19Å | ||
| 121 | S | 94.1 | Very high | 96.4 | Very high | 96 Ų | 96 | 55.8 Ų | 55.8 | 67% | 0.671 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -22.8 | -179.5 | 53.8 | 0 | 0 | 0 | 0 | 113 | ||
| 122 | S | 95.8 | Very high | 96.4 | Very high | 101 Ų | 101 | 54.5 Ų | 54.5 | 71% | 0.706 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -14.9 | 177.3 | 74.5 | 0 | 0 | 0 | 0 | 113.1 | D120 | D120-S122 VanDerWaalsContact C-N 3.27Å; D120-S122 PolarHBondContact O-N 3.49Å; D120-S122 WeakPolarHBondContact OD1-CB 3.48Å; D120-S122 PolarHBondContact OD1-N 2.88Å; D120-S122 PolarHBondContact OD1-OG 2.94Å; D120-S122 PolarHBondContact OD2-OG 3.45Å |
| 123 | A | 96.2 | Very high | 96.6 | Very high | 12 Ų | 12 | 49 Ų | 49 | 10% | 0.099 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -68.7 | 151.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D120 V127 | D120-A123 HydrophobicContact CB-CB 3.9Å; D120-A123 WeakPolarHBondContact O-CB 3.45Å; D120-A123 PolarHBondContact O-N 3.2Å; D120-A123 PolarHBondContact OD1-N 3.19Å; A123-V127 HydrophobicContact CB-CB 4.11Å; A123-V127 HydrophobicContact CB-CG1 3.88Å |
| 124 | P | 97.6 | Very high | 96.7 | Very high | 84 Ų | 84 | 46.5 Ų | 46.5 | 55% | 0.545 | 25% | 0.253 | S | S | . | . | trans | -53 | 147 | 174.1 | -26.6 | 34.5 | 0 | 0 | 0 | 112 | K126 V127 R128 | P124-K126 VanDerWaalsContact C-N 3.27Å; P124-K126 PolarHBondContact O-N 3.04Å; P124-K126 VanDerWaalsContact O-N 3.08Å; P124-V127 HydrophobicContact CB-CG2 4.31Å; P124-V127 HydrophobicContact CG-CG2 4.38Å; P124-V127 WeakPolarHBondContact O-CA 3.26Å; P124-V127 WeakPolarHBondContact O-CB 3.39Å; P124-V127 PolarHBondContact O-N 3.12Å; P124-R128 PolarHBondContact O-N 3.41Å | ||
| 125 | P | 97.7 | Very high | 96.9 | Very high | 67 Ų | 67 | 46.2 Ų | 46.2 | 44% | 0.435 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -51.2 | -42.3 | -173.3 | -30.4 | 35.3 | 0 | 0 | 0 | 114.5 | V127 R128 R129 | P125-V127 PolarHBondContact O-N 3.06Å; P125-R128 WeakPolarHBondContact O-CB 3.35Å; P125-R128 PolarHBondContact O-N 3.28Å; P125-R129 WeakPolarHBondContact O-CG 3.25Å; P125-R129 PolarHBondContact O-N 3.01Å |
| 126 | K | 97.8 | Very high | 97.2 | Very high | 87 Ų | 87 | 45.2 Ų | 45.2 | 38% | 0.378 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.9 | -44.4 | 176.2 | 177.2 | -179.4 | 179.6 | -166 | 0 | 112.8 | P124 R129 Y130 G201 G202 D203 | P124-K126 VanDerWaalsContact C-N 3.27Å; P124-K126 PolarHBondContact O-N 3.04Å; P124-K126 VanDerWaalsContact O-N 3.08Å; K126-R129 PolarHBondContact O-N 3.35Å; K126-Y130 PolarHBondContact O-N 3.33Å; K126-Y130 VanDerWaalsContact O-N 3.11Å; K126-G201 WeakPolarHBondContact CE-O 3.24Å; K126-G201 PolarHBondContact NZ-O 2.97Å; K126-G202 WeakPolarHBondContact CE-O 3.47Å; K126-D203 HydrophobicContact CD-CB 4.29Å; K126-D203 HydrophobicContact CG-CB 3.87Å |
| 127 | V | 98.4 | Very high | 97.4 | Very high | 33 Ų | 33 | 40 Ų | 40 | 20% | 0.2 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.7 | -45.6 | 177.3 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | A123 P124 P125 R129 Y130 Q131 L159 T160 | A123-V127 HydrophobicContact CB-CB 4.11Å; A123-V127 HydrophobicContact CB-CG1 3.88Å; P124-V127 HydrophobicContact CB-CG2 4.31Å; P124-V127 HydrophobicContact CG-CG2 4.38Å; P124-V127 WeakPolarHBondContact O-CA 3.26Å; P124-V127 WeakPolarHBondContact O-CB 3.39Å; P124-V127 PolarHBondContact O-N 3.12Å; P125-V127 PolarHBondContact O-N 3.06Å; V127-R129 VanDerWaalsContact C-N 3.34Å; V127-R129 PolarHBondContact O-N 3.35Å; V127-Y130 WeakPolarHBondContact O-CB 3.33Å; V127-Y130 PolarHBondContact O-N 2.87Å; V127-Q131 HydrophobicContact CG1-CG 4.4Å; V127-Q131 VanDerWaalsContact O-CG 3.31Å; V127-Q131 WeakPolarHBondContact O-CG 3.42Å; V127-Q131 PolarHBondContact O-N 3.16Å; V127-L159 WeakPolarHBondContact CG1-O 3.34Å; V127-T160 HydrophobicContact CG1-CG2 4.18Å; V127-T160 HydrophobicContact CG2-CG2 4.13Å |
| 128 | R | 98.3 | Very high | 97.6 | Very high | 80 Ų | 80 | 35.5 Ų | 35.5 | 30% | 0.302 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -56.1 | -46.9 | 177 | -176.3 | 173 | 64.9 | -136.7 | 5.1 | 112.2 | Y119 P124 P125 Y130 Q131 V132 | Y119-R128 VanDerWaalsContact CD2-CD 3.46Å; Y119-R128 HydrophobicContact CD2-CG 3.33Å; Y119-R128 VanDerWaalsContact CE2-CD 3.45Å; Y119-R128 HydrophobicContact CE2-CG 3.85Å; Y119-R128 HydrophobicContact CG-CG 3.78Å; P124-R128 PolarHBondContact O-N 3.41Å; P125-R128 WeakPolarHBondContact O-CB 3.35Å; P125-R128 PolarHBondContact O-N 3.28Å; R128-Y130 PolarHBondContact O-N 3.02Å; R128-Q131 PolarHBondContact O-N 2.96Å; R128-V132 WeakPolarHBondContact O-CG2 3.41Å; R128-V132 PolarHBondContact O-N 3.23Å |
| 129 | R | 98.6 | Very high | 97.6 | Very high | 37 Ų | 37 | 36.6 Ų | 36.6 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.3 | -42.2 | 177.5 | -72.8 | -169.9 | -75.6 | -91.1 | 3.9 | 112.8 | P125 K126 V127 Q131 V132 L133 D203 I204 A229 W230 | P125-R129 WeakPolarHBondContact O-CG 3.25Å; P125-R129 PolarHBondContact O-N 3.01Å; K126-R129 PolarHBondContact O-N 3.35Å; V127-R129 VanDerWaalsContact C-N 3.34Å; V127-R129 PolarHBondContact O-N 3.35Å; R129-Q131 VanDerWaalsContact C-N 3.35Å; R129-Q131 PolarHBondContact O-N 2.85Å; R129-V132 WeakPolarHBondContact O-CB 3.42Å; R129-V132 PolarHBondContact O-N 3.4Å; R129-L133 PolarHBondContact O-N 3.45Å; R129-D203 IonicContact CZ-OD1 3.8Å; R129-D203 IonicContact CZ-OD2 3.3Å; R129-D203 VanDerWaalsContact CZ-OD2 3.3Å; R129-D203 IonicContact NE-OD1 2.93Å; R129-D203 PolarHBondContact NE-OD1 2.97Å; R129-D203 IonicContact NE-OD2 3.17Å; R129-D203 PolarHBondContact NE-OD2 2.92Å; R129-D203 IonicContact NH2-OD1 3.8Å; R129-D203 IonicContact NH2-OD2 2.66Å; R129-D203 PolarHBondContact NH2-OD2 3.11Å; R129-I204 HydrophobicContact CB-CD1 3.84Å; R129-I204 HydrophobicContact CB-CG1 3.96Å; R129-I204 HydrophobicContact CG-CD1 4.45Å; R129-A229 HydrophobicContact CB-CB 4.12Å; R129-A229 HydrophobicContact CG-CB 3.79Å; R129-A229 WeakPolarHBondContact CG-O 3.47Å; R129-W230 VanDerWaalsContact CD-CH2 3.44Å |
| 130 | Y | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.6 | -42.8 | 174.6 | 178.8 | -109.8 | 0 | 0 | 0 | 112.2 | K126 V127 R128 V132 L133 L134 L159 T160 V161 I164 S193 L196 | K126-Y130 PolarHBondContact O-N 3.33Å; K126-Y130 VanDerWaalsContact O-N 3.11Å; V127-Y130 WeakPolarHBondContact O-CB 3.33Å; V127-Y130 PolarHBondContact O-N 2.87Å; R128-Y130 PolarHBondContact O-N 3.02Å; Y130-V132 PolarHBondContact O-N 3.17Å; Y130-L133 PolarHBondContact O-N 2.98Å; Y130-L134 HydrophobicContact CD1-CD1 4.46Å; Y130-L134 HydrophobicContact CD1-CD2 4.37Å; Y130-L134 HydrophobicContact CD2-CD1 3.85Å; Y130-L134 HydrophobicContact CE1-CD1 3.99Å; Y130-L134 HydrophobicContact CE1-CD2 3.55Å; Y130-L134 HydrophobicContact CE1-CG 4.39Å; Y130-L134 HydrophobicContact CE2-CD1 3.3Å; Y130-L134 HydrophobicContact CE2-CD2 4.36Å; Y130-L134 HydrophobicContact CE2-CG 4.46Å; Y130-L134 HydrophobicContact CG-CD1 4.41Å; Y130-L134 PolarHBondContact O-N 3.48Å; Y130-L134 WeakPolarHBondContact OH-CD2 3.41Å; Y130-L159 HydrophobicContact CE1-CD1 4.03Å; Y130-L159 HydrophobicContact CE1-CG 4.34Å; Y130-T160 WeakPolarHBondContact CE1-O 3.13Å; Y130-V161 HydrophobicContact CD1-CG2 4.29Å; Y130-V161 HydrophobicContact CD2-CG2 3.47Å; Y130-V161 VanDerWaalsContact CD2-CG2 3.47Å; Y130-V161 HydrophobicContact CE1-CG2 4.32Å; Y130-V161 HydrophobicContact CE2-CB 4.49Å; Y130-V161 HydrophobicContact CE2-CG2 3.49Å; Y130-V161 VanDerWaalsContact CE2-CG2 3.49Å; Y130-V161 HydrophobicContact CG-CG2 3.87Å; Y130-I164 HydrophobicContact CE1-CG1 4.14Å; Y130-I164 WeakPolarHBondContact OH-CB 3.29Å; Y130-I164 VanDerWaalsContact OH-CG1 3.29Å; Y130-I164 WeakPolarHBondContact OH-CG1 3.33Å; Y130-I164 WeakPolarHBondContact OH-CG2 3.3Å; Y130-S193 PolarHBondContact OH-OG 3.46Å; Y130-L196 HydrophobicContact CD2-CD1 3.68Å; Y130-L196 HydrophobicContact CE2-CD1 3.9Å |
| 131 | Q | 98.7 | Very high | 97.3 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.6 | -39.9 | 176.2 | -65 | -178.4 | 8.1 | 0 | 0 | 112.2 | V127 R128 R129 L134 S135 M151 L159 | V127-Q131 HydrophobicContact CG1-CG 4.4Å; V127-Q131 VanDerWaalsContact O-CG 3.31Å; V127-Q131 WeakPolarHBondContact O-CG 3.42Å; V127-Q131 PolarHBondContact O-N 3.16Å; R128-Q131 PolarHBondContact O-N 2.96Å; R129-Q131 VanDerWaalsContact C-N 3.35Å; R129-Q131 PolarHBondContact O-N 2.85Å; Q131-L134 PolarHBondContact O-N 3.4Å; Q131-S135 WeakPolarHBondContact O-CB 3.45Å; Q131-S135 PolarHBondContact O-N 2.98Å; Q131-M151 HydrophobicContact CB-CE 4.14Å; Q131-M151 WeakPolarHBondContact O-CE 3.31Å; Q131-L159 HydrophobicContact CB-CD2 4.35Å; Q131-L159 HydrophobicContact CG-CB 4.22Å; Q131-L159 HydrophobicContact CG-CD2 3.81Å; Q131-L159 HydrophobicContact CG-CG 3.93Å; Q131-L159 PolarHBondContact NE2-O 3.38Å |
| 132 | V | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.7 | -50.9 | 171.7 | 169 | 0 | 0 | 0 | 0 | 110.5 | V115 Y119 R128 R129 Y130 L134 S135 L136 V228 A229 | V115-V132 HydrophobicContact CG2-CG1 3.77Å; Y119-V132 HydrophobicContact CD1-CG2 3.41Å; Y119-V132 VanDerWaalsContact CD1-CG2 3.41Å; Y119-V132 HydrophobicContact CE1-CG2 4Å; Y119-V132 HydrophobicContact CG-CG2 3.96Å; R128-V132 WeakPolarHBondContact O-CG2 3.41Å; R128-V132 PolarHBondContact O-N 3.23Å; R129-V132 WeakPolarHBondContact O-CB 3.42Å; R129-V132 PolarHBondContact O-N 3.4Å; Y130-V132 PolarHBondContact O-N 3.17Å; V132-L134 PolarHBondContact O-N 3.13Å; V132-S135 PolarHBondContact O-N 3.23Å; V132-S135 PolarHBondContact O-OG 3.45Å; V132-L136 HydrophobicContact CG1-CD1 4.16Å; V132-L136 WeakPolarHBondContact O-CG 3.44Å; V132-L136 PolarHBondContact O-N 2.87Å; V132-L136 VanDerWaalsContact O-N 3.15Å; V132-V228 HydrophobicContact CG1-CB 4.09Å; V132-V228 HydrophobicContact CG1-CG1 4.07Å; V132-V228 HydrophobicContact CG2-CG1 3.93Å; V132-A229 HydrophobicContact CB-CB 4.17Å; V132-A229 HydrophobicContact CG1-CB 3.9Å |
| 133 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.8 | -46.7 | 179.2 | 178.3 | 63.2 | 0 | 0 | 0 | 112.1 | R129 Y130 S135 L136 M137 T192 L196 I204 L211 L214 V217 | R129-L133 PolarHBondContact O-N 3.45Å; Y130-L133 PolarHBondContact O-N 2.98Å; L133-S135 VanDerWaalsContact C-N 3.35Å; L133-S135 PolarHBondContact O-N 3.2Å; L133-L136 WeakPolarHBondContact O-CB 3.31Å; L133-L136 PolarHBondContact O-N 3.47Å; L133-M137 HydrophobicContact CD1-CG 4.5Å; L133-M137 HydrophobicContact CG-SD 4.22Å; L133-M137 WeakPolarHBondContact O-CG 3.42Å; L133-M137 PolarHBondContact O-N 3.33Å; L133-T192 HydrophobicContact CD2-CG2 3.99Å; L133-L196 HydrophobicContact CD2-CD1 4.1Å; L133-I204 HydrophobicContact CB-CG2 3.95Å; L133-I204 HydrophobicContact CD2-CB 4.25Å; L133-I204 HydrophobicContact CD2-CG2 3.55Å; L133-I204 HydrophobicContact CG-CG2 4.39Å; L133-L211 HydrophobicContact CD1-CD2 4.39Å; L133-L214 HydrophobicContact CD2-CD1 3.9Å; L133-V217 HydrophobicContact CD1-CG2 4.01Å |
| 134 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -40 | 179.2 | -98.6 | 59.9 | 0 | 0 | 0 | 112.4 | Y130 Q131 V132 L136 M137 L138 M151 L159 I164 I189 | Y130-L134 HydrophobicContact CD1-CD1 4.46Å; Y130-L134 HydrophobicContact CD1-CD2 4.37Å; Y130-L134 HydrophobicContact CD2-CD1 3.85Å; Y130-L134 HydrophobicContact CE1-CD1 3.99Å; Y130-L134 HydrophobicContact CE1-CD2 3.55Å; Y130-L134 HydrophobicContact CE1-CG 4.39Å; Y130-L134 HydrophobicContact CE2-CD1 3.3Å; Y130-L134 HydrophobicContact CE2-CD2 4.36Å; Y130-L134 HydrophobicContact CE2-CG 4.46Å; Y130-L134 HydrophobicContact CG-CD1 4.41Å; Y130-L134 PolarHBondContact O-N 3.48Å; Y130-L134 WeakPolarHBondContact OH-CD2 3.41Å; Q131-L134 PolarHBondContact O-N 3.4Å; V132-L134 PolarHBondContact O-N 3.13Å; L134-L136 VanDerWaalsContact C-N 3.27Å; L134-L136 PolarHBondContact O-N 3.41Å; L134-M137 HydrophobicContact CD1-SD 4.36Å; L134-M137 PolarHBondContact O-N 3.35Å; L134-L138 WeakPolarHBondContact O-CB 3.49Å; L134-L138 VanDerWaalsContact O-CG 3.3Å; L134-L138 WeakPolarHBondContact O-CG 3.48Å; L134-L138 PolarHBondContact O-N 2.91Å; L134-M151 HydrophobicContact CB-CE 4.43Å; L134-M151 HydrophobicContact CB-SD 4.31Å; L134-L159 HydrophobicContact CD2-CD1 3.6Å; L134-L159 HydrophobicContact CD2-CD2 4.18Å; L134-L159 HydrophobicContact CD2-CG 4.24Å; L134-I164 HydrophobicContact CD2-CD1 4.38Å; L134-I164 HydrophobicContact CD2-CG1 4.21Å; L134-I189 HydrophobicContact CD2-CG2 4.25Å; L134-I189 HydrophobicContact CG-CG2 4.38Å |
| 135 | S | 98.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.9 | -39.7 | 176.1 | 76.1 | 0 | 0 | 0 | 0 | 111.9 | V115 Q131 V132 L133 L138 S139 | V115-S135 WeakPolarHBondContact CG2-OG 3.4Å; Q131-S135 WeakPolarHBondContact O-CB 3.45Å; Q131-S135 PolarHBondContact O-N 2.98Å; V132-S135 PolarHBondContact O-N 3.23Å; V132-S135 PolarHBondContact O-OG 3.45Å; L133-S135 VanDerWaalsContact C-N 3.35Å; L133-S135 PolarHBondContact O-N 3.2Å; S135-L138 PolarHBondContact O-N 2.95Å; S135-S139 WeakPolarHBondContact O-CB 3.41Å; S135-S139 PolarHBondContact O-N 3.4Å |
| 136 | L | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67 | -43.4 | 176.3 | -68.7 | 167.8 | 0 | 0 | 0 | 112.1 | V115 V132 L133 L134 L138 S139 M221 L224 A225 | V115-L136 HydrophobicContact CB-CD2 3.96Å; V115-L136 HydrophobicContact CB-CG 4.44Å; V115-L136 HydrophobicContact CG1-CD2 4.29Å; V115-L136 HydrophobicContact CG2-CD1 4.26Å; V115-L136 HydrophobicContact CG2-CD2 3.81Å; V115-L136 HydrophobicContact CG2-CG 3.79Å; V132-L136 HydrophobicContact CG1-CD1 4.16Å; V132-L136 WeakPolarHBondContact O-CG 3.44Å; V132-L136 PolarHBondContact O-N 2.87Å; V132-L136 VanDerWaalsContact O-N 3.15Å; L133-L136 WeakPolarHBondContact O-CB 3.31Å; L133-L136 PolarHBondContact O-N 3.47Å; L134-L136 VanDerWaalsContact C-N 3.27Å; L134-L136 PolarHBondContact O-N 3.41Å; L136-L138 VanDerWaalsContact C-N 3.29Å; L136-L138 PolarHBondContact O-N 2.91Å; L136-S139 PolarHBondContact O-N 3.11Å; L136-S139 PolarHBondContact O-OG 3.34Å; L136-S139 VanDerWaalsContact O-OG 3.09Å; L136-M221 HydrophobicContact CB-CB 4.3Å; L136-M221 HydrophobicContact CB-CG 4.23Å; L136-M221 WeakPolarHBondContact CD1-O 3.24Å; L136-M221 VanDerWaalsContact O-CE 3.28Å; L136-M221 WeakPolarHBondContact O-CE 3.33Å; L136-L224 HydrophobicContact CD1-CB 4.04Å; L136-L224 HydrophobicContact CD2-CB 3.77Å; L136-L224 HydrophobicContact CD2-CD1 3.53Å; L136-L224 HydrophobicContact CD2-CG 4.32Å; L136-A225 HydrophobicContact CD1-CB 3.85Å |
| 137 | M | 98.4 | Very high | 97.3 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.039 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 175.5 | -67.1 | 176.1 | 76.4 | 0 | 0 | 111 | L133 L134 S140 K185 I189 T192 P215 V217 | L133-M137 HydrophobicContact CD1-CG 4.5Å; L133-M137 HydrophobicContact CG-SD 4.22Å; L133-M137 WeakPolarHBondContact O-CG 3.42Å; L133-M137 PolarHBondContact O-N 3.33Å; L134-M137 HydrophobicContact CD1-SD 4.36Å; L134-M137 PolarHBondContact O-N 3.35Å; M137-S140 PolarHBondContact O-OG 3.15Å; M137-K185 WeakPolarHBondContact O-CE 3.42Å; M137-I189 HydrophobicContact CE-CG1 3.99Å; M137-I189 HydrophobicContact SD-CG1 4.35Å; M137-T192 WeakPolarHBondContact CE-OG1 3.44Å; M137-T192 HydrophobicContact SD-CG2 4.25Å; M137-P215 WeakPolarHBondContact CE-O 3.32Å; M137-V217 HydrophobicContact CG-CG2 4.13Å; M137-V217 HydrophobicContact SD-CG2 4.39Å |
| 138 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.7 | -31.4 | 177.7 | -67.2 | -179.1 | 0 | 0 | 0 | 113.2 | L134 S135 L136 S140 T142 T147 A150 M151 L154 I176 V179 K185 I189 | L134-L138 WeakPolarHBondContact O-CB 3.49Å; L134-L138 VanDerWaalsContact O-CG 3.3Å; L134-L138 WeakPolarHBondContact O-CG 3.48Å; L134-L138 PolarHBondContact O-N 2.91Å; S135-L138 PolarHBondContact O-N 2.95Å; L136-L138 VanDerWaalsContact C-N 3.29Å; L136-L138 PolarHBondContact O-N 2.91Å; L138-S140 VanDerWaalsContact C-N 3.28Å; L138-S140 PolarHBondContact O-N 3.45Å; L138-T142 WeakPolarHBondContact O-CB 3.4Å; L138-T142 PolarHBondContact O-OG1 3.31Å; L138-T147 HydrophobicContact CB-CG2 4.04Å; L138-A150 HydrophobicContact CD1-CB 4.14Å; L138-M151 HydrophobicContact CD1-CG 4.31Å; L138-M151 HydrophobicContact CD1-SD 3.73Å; L138-L154 HydrophobicContact CD1-CD1 3.91Å; L138-I176 HydrophobicContact CD1-CG2 4.25Å; L138-I176 HydrophobicContact CD2-CB 4.12Å; L138-I176 HydrophobicContact CD2-CD1 3.99Å; L138-I176 HydrophobicContact CD2-CG2 4.06Å; L138-V179 HydrophobicContact CB-CG1 4.45Å; L138-V179 HydrophobicContact CD2-CG1 4.11Å; L138-V179 HydrophobicContact CD2-CG2 4.47Å; L138-V179 WeakPolarHBondContact O-CG1 3.29Å; L138-K185 HydrophobicContact CD2-CD 4.23Å; L138-K185 PolarHBondContact O-NZ 2.8Å; L138-I189 HydrophobicContact CD2-CD1 3.71Å; L138-I189 HydrophobicContact CG-CD1 4.35Å |
| 139 | S | 96.6 | Very high | 97.3 | Very high | 28 Ų | 28 | 32.1 Ų | 32.1 | 20% | 0.196 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.3 | -20 | -176.6 | 85.7 | 0 | 0 | 0 | 0 | 114.1 | S135 L136 Q141 T142 T147 | S135-S139 WeakPolarHBondContact O-CB 3.41Å; S135-S139 PolarHBondContact O-N 3.4Å; L136-S139 PolarHBondContact O-N 3.11Å; L136-S139 PolarHBondContact O-OG 3.34Å; L136-S139 VanDerWaalsContact O-OG 3.09Å; S139-Q141 PolarHBondContact O-N 3Å; S139-Q141 VanDerWaalsContact O-N 3.1Å; S139-T142 PolarHBondContact O-N 3.21Å; S139-T142 VanDerWaalsContact O-N 3.11Å; S139-T147 WeakPolarHBondContact CA-OG1 3.29Å |
| 140 | S | 93.4 | Very high | 97.3 | Very high | 38 Ų | 38 | 30.3 Ų | 30.3 | 27% | 0.266 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 120.2 | 178.5 | 55.5 | 0 | 0 | 0 | 0 | 111.6 | M137 L138 T142 K185 | M137-S140 PolarHBondContact O-OG 3.15Å; L138-S140 VanDerWaalsContact C-N 3.28Å; L138-S140 PolarHBondContact O-N 3.45Å; S140-T142 PolarHBondContact O-N 3.42Å; S140-T142 VanDerWaalsContact O-N 3.16Å; S140-T142 PolarHBondContact O-OG1 2.95Å; S140-K185 PolarHBondContact O-NZ 3.23Å; S140-K185 WeakPolarHBondContact OG-CE 3.33Å; S140-K185 PolarHBondContact OG-NZ 3.27Å |
| 141 | Q | 92.6 | Very high | 97.3 | Very high | 157 Ų | 157 | 30.3 Ų | 30.3 | 73% | 0.734 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 38.1 | -179.2 | -57.4 | 178.5 | 77.3 | 0 | 0 | 112.9 | S139 F181 | S139-Q141 PolarHBondContact O-N 3Å; S139-Q141 VanDerWaalsContact O-N 3.1Å; Q141-F181 HydrophobicContact CB-CD2 4.37Å; Q141-F181 HydrophobicContact CB-CE2 4.03Å; Q141-F181 HydrophobicContact CG-CE2 4.49Å |
| 142 | T | 95.3 | Very high | 97.3 | Very high | 22 Ų | 22 | 36.1 Ų | 36.1 | 14% | 0.135 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -140 | 140.8 | 179.4 | -60.8 | 0 | 0 | 0 | 0 | 108.9 | L138 S139 S140 V146 T147 V179 G180 K185 | L138-T142 WeakPolarHBondContact O-CB 3.4Å; L138-T142 PolarHBondContact O-OG1 3.31Å; S139-T142 PolarHBondContact O-N 3.21Å; S139-T142 VanDerWaalsContact O-N 3.11Å; S140-T142 PolarHBondContact O-N 3.42Å; S140-T142 VanDerWaalsContact O-N 3.16Å; S140-T142 PolarHBondContact O-OG1 2.95Å; T142-V146 HydrophobicContact CG2-CB 3.73Å; T142-V146 HydrophobicContact CG2-CG1 3.69Å; T142-T147 WeakPolarHBondContact CG2-OG1 3.41Å; T142-V179 HydrophobicContact CG2-CB 4.31Å; T142-V179 HydrophobicContact CG2-CG1 4.12Å; T142-V179 HydrophobicContact CG2-CG2 4.15Å; T142-G180 PolarHBondContact OG1-N 2.94Å; T142-K185 PolarHBondContact OG1-NZ 2.67Å; T142-K185 VanDerWaalsContact OG1-NZ 3.12Å |
| 143 | K | 94.9 | Very high | 97.3 | Very high | 159 Ų | 159 | 40.4 Ų | 40.4 | 69% | 0.691 | 20% | 0.204 | S | C | * | . | trans | -69.5 | 146.4 | 178.4 | -64 | -178.5 | 179.6 | 179.2 | 0 | 110.7 | Q145 V146 T147 | K143-Q145 VanDerWaalsContact C-N 3.29Å; K143-Q145 PolarHBondContact O-N 2.83Å; K143-V146 HydrophobicContact CB-CG2 4.38Å; K143-V146 WeakPolarHBondContact O-CB 3.07Å; K143-V146 PolarHBondContact O-N 2.67Å; K143-T147 PolarHBondContact O-N 3.16Å | ||
| 144 | D | 96.1 | Very high | 97.3 | Very high | 28 Ų | 28 | 40.7 Ų | 40.7 | 15% | 0.15 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -54.5 | -41.4 | -177.1 | -57.7 | -25.5 | 0 | 0 | 0 | 112.7 | P109 V110 L113 V146 T147 A148 Q287 | P109-D144 HydrophobicContact CB-CB 4.25Å; V110-D144 PolarHBondContact N-OD2 2.77Å; L113-D144 HydrophobicContact CB-CB 3.82Å; D144-V146 VanDerWaalsContact C-N 3.31Å; D144-V146 PolarHBondContact O-N 3.45Å; D144-T147 PolarHBondContact O-N 2.95Å; D144-A148 VanDerWaalsContact O-CB 3.31Å; D144-A148 WeakPolarHBondContact O-CB 3.35Å; D144-A148 PolarHBondContact O-N 3.14Å; D144-Q287 PolarHBondContact OD2-NE2 3.21Å |
| 145 | Q | 96.9 | Very high | 97.2 | Very high | 99 Ų | 99 | 44.3 Ų | 44.3 | 46% | 0.463 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.3 | -40.1 | 176.6 | -62.6 | 78.4 | 7.3 | 0 | 0 | 112.9 | L113 K143 G149 | L113-Q145 HydrophobicContact CD1-CB 4.25Å; L113-Q145 HydrophobicContact CD1-CG 3.59Å; K143-Q145 VanDerWaalsContact C-N 3.29Å; K143-Q145 PolarHBondContact O-N 2.83Å; Q145-G149 PolarHBondContact O-N 3.47Å |
| 146 | V | 98.1 | Very high | 97.1 | Very high | 43 Ų | 43 | 47.9 Ų | 47.9 | 26% | 0.261 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -72.2 | -41.3 | -178.8 | 178.1 | 0 | 0 | 0 | 0 | 109.9 | T142 K143 D144 A150 P178 V179 | T142-V146 HydrophobicContact CG2-CB 3.73Å; T142-V146 HydrophobicContact CG2-CG1 3.69Å; K143-V146 HydrophobicContact CB-CG2 4.38Å; K143-V146 WeakPolarHBondContact O-CB 3.07Å; K143-V146 PolarHBondContact O-N 2.67Å; D144-V146 VanDerWaalsContact C-N 3.31Å; D144-V146 PolarHBondContact O-N 3.45Å; V146-A150 PolarHBondContact O-N 2.78Å; V146-P178 HydrophobicContact CG1-CG 3.96Å; V146-V179 HydrophobicContact CG1-CG2 4.07Å |
| 147 | T | 98.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.9 | -48.1 | 175.4 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | L138 S139 T142 K143 D144 G149 A150 M151 | L138-T147 HydrophobicContact CB-CG2 4.04Å; S139-T147 WeakPolarHBondContact CA-OG1 3.29Å; T142-T147 WeakPolarHBondContact CG2-OG1 3.41Å; K143-T147 PolarHBondContact O-N 3.16Å; D144-T147 PolarHBondContact O-N 2.95Å; T147-G149 VanDerWaalsContact C-N 3.34Å; T147-G149 PolarHBondContact O-N 3.34Å; T147-A150 PolarHBondContact O-N 3.03Å; T147-M151 HydrophobicContact CG2-CG 4.46Å; T147-M151 WeakPolarHBondContact O-CG 3.39Å; T147-M151 PolarHBondContact O-N 2.59Å |
| 148 | A | 97.9 | Very high | 96.9 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 16% | 0.157 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L113 D144 A150 M151 Q152 | L113-A148 HydrophobicContact CB-CB 4.12Å; L113-A148 HydrophobicContact CD2-CB 3.85Å; D144-A148 VanDerWaalsContact O-CB 3.31Å; D144-A148 WeakPolarHBondContact O-CB 3.35Å; D144-A148 PolarHBondContact O-N 3.14Å; A148-A150 VanDerWaalsContact C-N 3.35Å; A148-A150 PolarHBondContact O-N 2.95Å; A148-M151 PolarHBondContact O-N 3.44Å; A148-Q152 WeakPolarHBondContact O-CB 3.41Å; A148-Q152 PolarHBondContact O-N 3.31Å |
| 149 | G | 98.2 | Very high | 96.9 | Very high | 18 Ų | 18 | 55.8 Ų | 55.8 | 19% | 0.186 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q145 T147 R153 | Q145-G149 PolarHBondContact O-N 3.47Å; T147-G149 VanDerWaalsContact C-N 3.34Å; T147-G149 PolarHBondContact O-N 3.34Å; G149-R153 PolarHBondContact O-N 3.13Å; G149-R153 PolarHBondContact O-NH1 2.82Å |
| 150 | A | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66 | -44.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L138 V146 T147 A148 Q152 R153 L154 I176 V179 | L138-A150 HydrophobicContact CD1-CB 4.14Å; V146-A150 PolarHBondContact O-N 2.78Å; T147-A150 PolarHBondContact O-N 3.03Å; A148-A150 VanDerWaalsContact C-N 3.35Å; A148-A150 PolarHBondContact O-N 2.95Å; A150-Q152 VanDerWaalsContact C-N 3.32Å; A150-Q152 PolarHBondContact O-N 3.33Å; A150-R153 PolarHBondContact O-N 3.21Å; A150-L154 WeakPolarHBondContact O-CG 3.42Å; A150-L154 PolarHBondContact O-N 2.78Å; A150-I176 HydrophobicContact CB-CB 4.48Å; A150-V179 HydrophobicContact CB-CG2 3.69Å |
| 151 | M | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 176.2 | -72.4 | -58.4 | -62.2 | 0 | 0 | 111.9 | C118 Q131 L134 L138 T147 A148 L154 R155 L159 | C118-M151 HydrophobicContact CB-CB 4.43Å; C118-M151 HydrophobicContact CB-CG 4.17Å; C118-M151 VanDerWaalsContact O-CE 3.25Å; C118-M151 WeakPolarHBondContact O-CE 3.44Å; Q131-M151 HydrophobicContact CB-CE 4.14Å; Q131-M151 WeakPolarHBondContact O-CE 3.31Å; L134-M151 HydrophobicContact CB-CE 4.43Å; L134-M151 HydrophobicContact CB-SD 4.31Å; L138-M151 HydrophobicContact CD1-CG 4.31Å; L138-M151 HydrophobicContact CD1-SD 3.73Å; T147-M151 HydrophobicContact CG2-CG 4.46Å; T147-M151 WeakPolarHBondContact O-CG 3.39Å; T147-M151 PolarHBondContact O-N 2.59Å; A148-M151 PolarHBondContact O-N 3.44Å; M151-L154 PolarHBondContact O-N 2.74Å; M151-L154 HydrophobicContact SD-CD1 4.21Å; M151-R155 WeakPolarHBondContact O-CB 3.22Å; M151-R155 VanDerWaalsContact O-CG 3.29Å; M151-R155 WeakPolarHBondContact O-CG 3.49Å; M151-R155 PolarHBondContact O-N 2.84Å; M151-L159 HydrophobicContact CE-CD2 3.46Å; M151-L159 VanDerWaalsContact CE-CD2 3.46Å; M151-L159 HydrophobicContact SD-CD2 4.27Å |
| 152 | Q | 98.2 | Very high | 97.5 | Very high | 130 Ų | 130 | 51.3 Ų | 51.3 | 61% | 0.607 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -59.3 | -48.9 | 174.8 | -175.6 | -174 | -3.1 | 0 | 0 | 111.7 | A148 A150 L154 R155 A156 | A148-Q152 WeakPolarHBondContact O-CB 3.41Å; A148-Q152 PolarHBondContact O-N 3.31Å; A150-Q152 VanDerWaalsContact C-N 3.32Å; A150-Q152 PolarHBondContact O-N 3.33Å; Q152-L154 PolarHBondContact O-N 3.06Å; Q152-R155 PolarHBondContact O-N 3.49Å; Q152-A156 WeakPolarHBondContact O-CB 3.38Å; Q152-A156 PolarHBondContact O-N 3.24Å |
| 153 | R | 98.4 | Very high | 97.6 | Very high | 91 Ų | 91 | 51.3 Ų | 51.3 | 34% | 0.343 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63 | -41 | 178.5 | -70.2 | -173.1 | -57.2 | -93.3 | 0.3 | 112.4 | G149 A150 A156 L175 Y177 | G149-R153 PolarHBondContact O-N 3.13Å; G149-R153 PolarHBondContact O-NH1 2.82Å; A150-R153 PolarHBondContact O-N 3.21Å; R153-A156 PolarHBondContact O-N 3.13Å; R153-L175 HydrophobicContact CB-CD2 4.24Å; R153-L175 PolarHBondContact NE-O 3.4Å; R153-L175 PolarHBondContact NH2-O 3.37Å; R153-Y177 PolarHBondContact NH2-O 3.45Å |
| 154 | L | 98.4 | Very high | 97.8 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.5 | -46.1 | 175.5 | -72 | 174.1 | 0 | 0 | 0 | 111.7 | L138 A150 M151 Q152 A156 Q157 L159 I164 L172 L175 I176 | L138-L154 HydrophobicContact CD1-CD1 3.91Å; A150-L154 WeakPolarHBondContact O-CG 3.42Å; A150-L154 PolarHBondContact O-N 2.78Å; M151-L154 PolarHBondContact O-N 2.74Å; M151-L154 HydrophobicContact SD-CD1 4.21Å; Q152-L154 PolarHBondContact O-N 3.06Å; L154-A156 VanDerWaalsContact C-N 3.29Å; L154-A156 PolarHBondContact O-N 3.32Å; L154-Q157 PolarHBondContact O-N 3.41Å; L154-L159 HydrophobicContact CB-CB 4.46Å; L154-L159 HydrophobicContact CB-CD1 4.08Å; L154-L159 HydrophobicContact CB-CD2 3.85Å; L154-L159 HydrophobicContact CB-CG 4.36Å; L154-L159 HydrophobicContact CD1-CD1 4.48Å; L154-L159 HydrophobicContact CD1-CD2 4.31Å; L154-I164 HydrophobicContact CD2-CD1 4.21Å; L154-L172 HydrophobicContact CD2-CD1 3.64Å; L154-L175 HydrophobicContact CD2-CB 3.82Å; L154-L175 HydrophobicContact CD2-CD1 4.01Å; L154-I176 HydrophobicContact CD1-CG2 3.82Å; L154-I176 HydrophobicContact CD2-CG2 4.07Å; L154-I176 HydrophobicContact CG-CG2 4.14Å |
| 155 | R | 97.5 | Very high | 97.9 | Very high | 76 Ų | 76 | 45.2 Ų | 45.2 | 29% | 0.287 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63 | -36.1 | 178.7 | -72.6 | -171.6 | -48.6 | -159.5 | 7.8 | 112.3 | C118 Y119 M151 Q152 Q157 G158 L159 | C118-R155 PolarHBondContact O-NH1 2.98Å; Y119-R155 VanDerWaalsContact CA-NH1 3.27Å; Y119-R155 PolarHBondContact O-NH1 3.38Å; M151-R155 WeakPolarHBondContact O-CB 3.22Å; M151-R155 VanDerWaalsContact O-CG 3.29Å; M151-R155 WeakPolarHBondContact O-CG 3.49Å; M151-R155 PolarHBondContact O-N 2.84Å; Q152-R155 PolarHBondContact O-N 3.49Å; R155-Q157 PolarHBondContact O-N 2.96Å; R155-Q157 VanDerWaalsContact O-N 3.11Å; R155-G158 PolarHBondContact O-N 2.99Å; R155-L159 HydrophobicContact CG-CB 4.15Å; R155-L159 HydrophobicContact CG-CD2 4.21Å |
| 156 | A | 97.3 | Very high | 98 | Very high | 78 Ų | 78 | 48.3 Ų | 48.3 | 65% | 0.645 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -17.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q152 R153 L154 | Q152-A156 WeakPolarHBondContact O-CB 3.38Å; Q152-A156 PolarHBondContact O-N 3.24Å; R153-A156 PolarHBondContact O-N 3.13Å; L154-A156 VanDerWaalsContact C-N 3.29Å; L154-A156 PolarHBondContact O-N 3.32Å |
| 157 | Q | 96.4 | Very high | 98 | Very high | 131 Ų | 131 | 47.7 Ų | 47.7 | 61% | 0.612 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 12.8 | 174.1 | -57.3 | -59.8 | -57.9 | 0 | 0 | 112.9 | L154 R155 L175 | L154-Q157 PolarHBondContact O-N 3.41Å; R155-Q157 PolarHBondContact O-N 2.96Å; R155-Q157 VanDerWaalsContact O-N 3.11Å; Q157-L175 HydrophobicContact CG-CD1 4.21Å; Q157-L175 HydrophobicContact CG-CD2 4.13Å |
| 158 | G | 95.4 | Very high | 98 | Very high | 41 Ų | 41 | 51.6 Ų | 51.6 | 42% | 0.423 | 28% | 0.282 | S | S | . | . | trans | 74.2 | 66.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R155 T160 S163 | R155-G158 PolarHBondContact O-N 2.99Å; G158-T160 PolarHBondContact O-N 3.22Å; G158-S163 VanDerWaalsContact O-CB 3.26Å; G158-S163 WeakPolarHBondContact O-CB 3.37Å; G158-S163 PolarHBondContact O-OG 3.07Å | ||
| 159 | L | 98.1 | Very high | 98 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | trans | -66.3 | 101.3 | -172.9 | -175.6 | 54.7 | 0 | 0 | 0 | 113.4 | V127 Y130 Q131 L134 M151 L154 R155 I164 | V127-L159 WeakPolarHBondContact CG1-O 3.34Å; Y130-L159 HydrophobicContact CE1-CD1 4.03Å; Y130-L159 HydrophobicContact CE1-CG 4.34Å; Q131-L159 HydrophobicContact CB-CD2 4.35Å; Q131-L159 HydrophobicContact CG-CB 4.22Å; Q131-L159 HydrophobicContact CG-CD2 3.81Å; Q131-L159 HydrophobicContact CG-CG 3.93Å; Q131-L159 PolarHBondContact NE2-O 3.38Å; L134-L159 HydrophobicContact CD2-CD1 3.6Å; L134-L159 HydrophobicContact CD2-CD2 4.18Å; L134-L159 HydrophobicContact CD2-CG 4.24Å; M151-L159 HydrophobicContact CE-CD2 3.46Å; M151-L159 VanDerWaalsContact CE-CD2 3.46Å; M151-L159 HydrophobicContact SD-CD2 4.27Å; L154-L159 HydrophobicContact CB-CB 4.46Å; L154-L159 HydrophobicContact CB-CD1 4.08Å; L154-L159 HydrophobicContact CB-CD2 3.85Å; L154-L159 HydrophobicContact CB-CG 4.36Å; L154-L159 HydrophobicContact CD1-CD1 4.48Å; L154-L159 HydrophobicContact CD1-CD2 4.31Å; R155-L159 HydrophobicContact CG-CB 4.15Å; R155-L159 HydrophobicContact CG-CD2 4.21Å; L159-I164 HydrophobicContact CD1-CD1 3.72Å; L159-I164 HydrophobicContact CD1-CG1 3.61Å | ||
| 160 | T | 98.5 | Very high | 98 | Very high | 44 Ų | 44 | 57 Ų | 57 | 27% | 0.27 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -139.1 | 167.7 | 177.4 | 64.1 | 0 | 0 | 0 | 0 | 109.8 | V127 Y130 G158 D162 S163 I164 | V127-T160 HydrophobicContact CG1-CG2 4.18Å; V127-T160 HydrophobicContact CG2-CG2 4.13Å; Y130-T160 WeakPolarHBondContact CE1-O 3.13Å; G158-T160 PolarHBondContact O-N 3.22Å; T160-D162 VanDerWaalsContact C-N 3.32Å; T160-D162 PolarHBondContact O-N 3.48Å; T160-S163 PolarHBondContact N-OG 3.41Å; T160-S163 PolarHBondContact O-OG 2.7Å; T160-S163 WeakPolarHBondContact OG1-CB 3.31Å; T160-S163 PolarHBondContact OG1-N 2.99Å; T160-S163 VanDerWaalsContact OG1-N 3.09Å; T160-S163 PolarHBondContact OG1-OG 3.39Å; T160-S163 VanDerWaalsContact OG1-OG 3.13Å; T160-I164 WeakPolarHBondContact O-CG1 3.22Å; T160-I164 PolarHBondContact O-N 3.14Å; T160-I164 VanDerWaalsContact O-N 3.13Å |
| 161 | V | 98.5 | Very high | 98 | Very high | 7 Ų | 7 | 59.7 Ų | 59.7 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.1 | -47.8 | 173.5 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | Y130 I164 L165 S193 L196 Q197 G202 | Y130-V161 HydrophobicContact CD1-CG2 4.29Å; Y130-V161 HydrophobicContact CD2-CG2 3.47Å; Y130-V161 VanDerWaalsContact CD2-CG2 3.47Å; Y130-V161 HydrophobicContact CE1-CG2 4.32Å; Y130-V161 HydrophobicContact CE2-CB 4.49Å; Y130-V161 HydrophobicContact CE2-CG2 3.49Å; Y130-V161 VanDerWaalsContact CE2-CG2 3.49Å; Y130-V161 HydrophobicContact CG-CG2 3.87Å; V161-I164 PolarHBondContact O-N 3.19Å; V161-L165 HydrophobicContact CG1-CD1 3.96Å; V161-L165 HydrophobicContact CG1-CG 4.45Å; V161-L165 WeakPolarHBondContact O-CG 3.49Å; V161-L165 PolarHBondContact O-N 3.27Å; V161-S193 WeakPolarHBondContact CG1-O 3.3Å; V161-L196 HydrophobicContact CG2-CB 4.3Å; V161-L196 HydrophobicContact CG2-CD1 4.23Å; V161-Q197 HydrophobicContact CG1-CB 3.98Å; V161-G202 WeakPolarHBondContact CG2-O 3.49Å |
| 162 | D | 98.2 | Very high | 98 | Very high | 79 Ų | 79 | 59.6 Ų | 59.6 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | -177.6 | -65.5 | -41.7 | 0 | 0 | 0 | 112.2 | T160 I164 L165 Q166 Q197 | T160-D162 VanDerWaalsContact C-N 3.32Å; T160-D162 PolarHBondContact O-N 3.48Å; D162-I164 VanDerWaalsContact C-N 3.32Å; D162-I164 PolarHBondContact O-N 2.97Å; D162-L165 PolarHBondContact O-N 3.43Å; D162-L165 VanDerWaalsContact O-N 3.15Å; D162-Q166 VanDerWaalsContact O-CG 3.3Å; D162-Q166 WeakPolarHBondContact O-CG 3.46Å; D162-Q166 PolarHBondContact O-N 2.86Å; D162-Q197 PolarHBondContact OD1-OE1 3.38Å |
| 163 | S | 98.2 | Very high | 98 | Very high | 22 Ų | 22 | 53.5 Ų | 53.5 | 15% | 0.154 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.8 | -37.7 | 179.2 | 67.1 | 0 | 0 | 0 | 0 | 112.1 | G158 T160 Q166 T167 | G158-S163 VanDerWaalsContact O-CB 3.26Å; G158-S163 WeakPolarHBondContact O-CB 3.37Å; G158-S163 PolarHBondContact O-OG 3.07Å; T160-S163 PolarHBondContact N-OG 3.41Å; T160-S163 PolarHBondContact O-OG 2.7Å; T160-S163 WeakPolarHBondContact OG1-CB 3.31Å; T160-S163 PolarHBondContact OG1-N 2.99Å; T160-S163 VanDerWaalsContact OG1-N 3.09Å; T160-S163 PolarHBondContact OG1-OG 3.39Å; T160-S163 VanDerWaalsContact OG1-OG 3.13Å; S163-Q166 PolarHBondContact O-N 2.99Å; S163-T167 WeakPolarHBondContact O-CB 3.44Å; S163-T167 PolarHBondContact O-N 3.34Å; S163-T167 PolarHBondContact O-OG1 3.04Å |
| 164 | I | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.015 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 173.9 | -72.2 | -69.6 | 0 | 0 | 0 | 111.3 | Y130 L134 L154 L159 T160 V161 D162 Q166 T167 L172 I189 K190 S193 | Y130-I164 HydrophobicContact CE1-CG1 4.14Å; Y130-I164 WeakPolarHBondContact OH-CB 3.29Å; Y130-I164 VanDerWaalsContact OH-CG1 3.29Å; Y130-I164 WeakPolarHBondContact OH-CG1 3.33Å; Y130-I164 WeakPolarHBondContact OH-CG2 3.3Å; L134-I164 HydrophobicContact CD2-CD1 4.38Å; L134-I164 HydrophobicContact CD2-CG1 4.21Å; L154-I164 HydrophobicContact CD2-CD1 4.21Å; L159-I164 HydrophobicContact CD1-CD1 3.72Å; L159-I164 HydrophobicContact CD1-CG1 3.61Å; T160-I164 WeakPolarHBondContact O-CG1 3.22Å; T160-I164 PolarHBondContact O-N 3.14Å; T160-I164 VanDerWaalsContact O-N 3.13Å; V161-I164 PolarHBondContact O-N 3.19Å; D162-I164 VanDerWaalsContact C-N 3.32Å; D162-I164 PolarHBondContact O-N 2.97Å; I164-Q166 VanDerWaalsContact C-N 3.32Å; I164-Q166 PolarHBondContact O-N 3.33Å; I164-T167 PolarHBondContact O-N 2.86Å; I164-L172 HydrophobicContact CD1-CD1 3.64Å; I164-L172 HydrophobicContact CD1-CD2 4.39Å; I164-L172 HydrophobicContact CG2-CD2 4.38Å; I164-I189 HydrophobicContact CD1-CG2 4.5Å; I164-I189 HydrophobicContact CG2-CG2 3.64Å; I164-K190 HydrophobicContact CG2-CD 4.42Å; I164-K190 WeakPolarHBondContact O-CE 3.38Å; I164-K190 PolarHBondContact O-NZ 2.76Å; I164-S193 WeakPolarHBondContact CG2-OG 3.48Å |
| 165 | L | 98.4 | Very high | 98 | Very high | 55 Ų | 55 | 58 Ų | 58 | 29% | 0.288 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.7 | -35.2 | 176.4 | -72.3 | 177.5 | 0 | 0 | 0 | 112.4 | V161 D162 K190 T194 Q197 | V161-L165 HydrophobicContact CG1-CD1 3.96Å; V161-L165 HydrophobicContact CG1-CG 4.45Å; V161-L165 WeakPolarHBondContact O-CG 3.49Å; V161-L165 PolarHBondContact O-N 3.27Å; D162-L165 PolarHBondContact O-N 3.43Å; D162-L165 VanDerWaalsContact O-N 3.15Å; L165-K190 PolarHBondContact O-NZ 2.88Å; L165-T194 WeakPolarHBondContact CD2-OG1 3.49Å; L165-Q197 HydrophobicContact CD1-CB 3.9Å; L165-Q197 HydrophobicContact CD1-CG 4.13Å |
| 166 | Q | 98.3 | Very high | 98.1 | Very high | 164 Ų | 164 | 54.3 Ų | 54.3 | 77% | 0.766 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -78.6 | -25.5 | 177.7 | -68.2 | 170.9 | 9.7 | 0 | 0 | 114 | D162 S163 I164 | D162-Q166 VanDerWaalsContact O-CG 3.3Å; D162-Q166 WeakPolarHBondContact O-CG 3.46Å; D162-Q166 PolarHBondContact O-N 2.86Å; S163-Q166 PolarHBondContact O-N 2.99Å; I164-Q166 VanDerWaalsContact C-N 3.32Å; I164-Q166 PolarHBondContact O-N 3.33Å |
| 167 | T | 98.4 | Very high | 98.1 | Very high | 31 Ų | 31 | 57.4 Ų | 57.4 | 19% | 0.19 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -75.6 | 125.7 | -179.2 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | S163 I164 T171 L172 K190 | S163-T167 WeakPolarHBondContact O-CB 3.44Å; S163-T167 PolarHBondContact O-N 3.34Å; S163-T167 PolarHBondContact O-OG1 3.04Å; I164-T167 PolarHBondContact O-N 2.86Å; T167-T171 HydrophobicContact CG2-CG2 3.76Å; T167-L172 HydrophobicContact CG2-CB 3.99Å; T167-K190 WeakPolarHBondContact O-CE 3.43Å; T167-K190 PolarHBondContact O-NZ 2.71Å |
| 168 | D | 98.2 | Very high | 98.1 | Very high | 86 Ų | 86 | 54.6 Ų | 54.6 | 46% | 0.46 | 30% | 0.297 | S | S | . | . | trans | -66 | 157.9 | 177.2 | 72.8 | 90 | 0 | 0 | 0 | 113.1 | A170 T171 L172 | D168-A170 VanDerWaalsContact C-N 3.27Å; D168-A170 PolarHBondContact O-N 2.86Å; D168-A170 WeakPolarHBondContact OD1-CA 3.46Å; D168-A170 WeakPolarHBondContact OD1-CB 3.48Å; D168-A170 PolarHBondContact OD1-N 3.24Å; D168-T171 PolarHBondContact O-N 3.28Å; D168-T171 PolarHBondContact OD1-N 3.13Å; D168-T171 PolarHBondContact OD1-OG1 3.26Å; D168-T171 WeakPolarHBondContact OD2-CB 3.2Å; D168-T171 PolarHBondContact OD2-OG1 3.41Å; D168-L172 WeakPolarHBondContact O-CB 3.18Å; D168-L172 PolarHBondContact O-N 3.36Å | ||
| 169 | D | 98.3 | Very high | 98.3 | Very high | 92 Ų | 92 | 52.7 Ų | 52.7 | 49% | 0.492 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.3 | -33.2 | -175.2 | -75.5 | 9.6 | 0 | 0 | 0 | 113.4 | G173 V186 K190 | D169-G173 PolarHBondContact O-N 3.07Å; D169-V186 HydrophobicContact CB-CG1 3.81Å; D169-K190 VanDerWaalsContact OD1-CE 3.29Å; D169-K190 WeakPolarHBondContact OD1-CE 2.98Å |
| 170 | A | 98.3 | Very high | 98.1 | Very high | 58 Ų | 58 | 53.7 Ų | 53.7 | 48% | 0.479 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -73.1 | -42.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | D168 G173 K174 | D168-A170 VanDerWaalsContact C-N 3.27Å; D168-A170 PolarHBondContact O-N 2.86Å; D168-A170 WeakPolarHBondContact OD1-CA 3.46Å; D168-A170 WeakPolarHBondContact OD1-CB 3.48Å; D168-A170 PolarHBondContact OD1-N 3.24Å; A170-G173 PolarHBondContact O-N 3.19Å; A170-K174 WeakPolarHBondContact O-CG 3.3Å; A170-K174 PolarHBondContact O-N 3.47Å |
| 171 | T | 98.4 | Very high | 98.1 | Very high | 56 Ų | 56 | 57.6 Ų | 57.6 | 34% | 0.344 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64 | -47.9 | 173.6 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | T167 D168 G173 K174 L175 | T167-T171 HydrophobicContact CG2-CG2 3.76Å; D168-T171 PolarHBondContact O-N 3.28Å; D168-T171 PolarHBondContact OD1-N 3.13Å; D168-T171 PolarHBondContact OD1-OG1 3.26Å; D168-T171 WeakPolarHBondContact OD2-CB 3.2Å; D168-T171 PolarHBondContact OD2-OG1 3.41Å; T171-G173 VanDerWaalsContact C-N 3.28Å; T171-G173 PolarHBondContact O-N 2.84Å; T171-K174 WeakPolarHBondContact O-CB 3.28Å; T171-K174 PolarHBondContact O-N 3.25Å; T171-K174 VanDerWaalsContact O-N 3.14Å; T171-L175 HydrophobicContact CG2-CD1 4.31Å; T171-L175 WeakPolarHBondContact O-CG 3.09Å; T171-L175 PolarHBondContact O-N 3.09Å |
| 172 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 177 | -178.7 | 54.8 | 0 | 0 | 0 | 111.2 | L154 I164 T167 D168 K174 L175 I176 V186 I189 K190 | L154-L172 HydrophobicContact CD2-CD1 3.64Å; I164-L172 HydrophobicContact CD1-CD1 3.64Å; I164-L172 HydrophobicContact CD1-CD2 4.39Å; I164-L172 HydrophobicContact CG2-CD2 4.38Å; T167-L172 HydrophobicContact CG2-CB 3.99Å; D168-L172 WeakPolarHBondContact O-CB 3.18Å; D168-L172 PolarHBondContact O-N 3.36Å; L172-K174 PolarHBondContact O-N 2.89Å; L172-L175 PolarHBondContact O-N 3.38Å; L172-I176 HydrophobicContact CD1-CG2 4.22Å; L172-I176 WeakPolarHBondContact O-CG1 3.43Å; L172-I176 PolarHBondContact O-N 2.93Å; L172-V186 HydrophobicContact CD2-CG1 4.21Å; L172-V186 HydrophobicContact CG-CG2 4.22Å; L172-I189 HydrophobicContact CD2-CG2 4.12Å; L172-K190 HydrophobicContact CD2-CG 4.31Å |
| 173 | G | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.7 | -46.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | D169 A170 T171 L175 I176 Y177 W182 | D169-G173 PolarHBondContact O-N 3.07Å; A170-G173 PolarHBondContact O-N 3.19Å; T171-G173 VanDerWaalsContact C-N 3.28Å; T171-G173 PolarHBondContact O-N 2.84Å; G173-L175 VanDerWaalsContact C-N 3.33Å; G173-L175 PolarHBondContact O-N 2.9Å; G173-I176 PolarHBondContact O-N 2.63Å; G173-Y177 WeakPolarHBondContact O-CB 3.46Å; G173-Y177 PolarHBondContact O-N 3.35Å; G173-W182 VanDerWaalsContact CA-CE3 3.47Å |
| 174 | K | 98.5 | Very high | 98 | Very high | 161 Ų | 161 | 66.6 Ų | 66.6 | 70% | 0.7 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.4 | -41.1 | 175.1 | -71.2 | 170 | -175.5 | 174.4 | 0 | 111.7 | A170 T171 L172 I176 | A170-K174 WeakPolarHBondContact O-CG 3.3Å; A170-K174 PolarHBondContact O-N 3.47Å; T171-K174 WeakPolarHBondContact O-CB 3.28Å; T171-K174 PolarHBondContact O-N 3.25Å; T171-K174 VanDerWaalsContact O-N 3.14Å; L172-K174 PolarHBondContact O-N 2.89Å; K174-I176 VanDerWaalsContact C-N 3.32Å; K174-I176 PolarHBondContact O-N 2.99Å |
| 175 | L | 98.5 | Very high | 97.9 | Very high | 29 Ų | 29 | 67 Ų | 67 | 15% | 0.152 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.5 | -35.8 | 179.5 | -70 | 170.7 | 0 | 0 | 0 | 112.3 | R153 L154 Q157 T171 L172 G173 | R153-L175 HydrophobicContact CB-CD2 4.24Å; R153-L175 PolarHBondContact NE-O 3.4Å; R153-L175 PolarHBondContact NH2-O 3.37Å; L154-L175 HydrophobicContact CD2-CB 3.82Å; L154-L175 HydrophobicContact CD2-CD1 4.01Å; Q157-L175 HydrophobicContact CG-CD1 4.21Å; Q157-L175 HydrophobicContact CG-CD2 4.13Å; T171-L175 HydrophobicContact CG2-CD1 4.31Å; T171-L175 WeakPolarHBondContact O-CG 3.09Å; T171-L175 PolarHBondContact O-N 3.09Å; L172-L175 PolarHBondContact O-N 3.38Å; G173-L175 VanDerWaalsContact C-N 3.33Å; G173-L175 PolarHBondContact O-N 2.9Å |
| 176 | I | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -95.6 | -10.4 | -178.2 | 71 | 170.5 | 0 | 0 | 0 | 114.2 | L138 A150 L154 L172 G173 K174 V179 W182 K185 V186 I189 | L138-I176 HydrophobicContact CD1-CG2 4.25Å; L138-I176 HydrophobicContact CD2-CB 4.12Å; L138-I176 HydrophobicContact CD2-CD1 3.99Å; L138-I176 HydrophobicContact CD2-CG2 4.06Å; A150-I176 HydrophobicContact CB-CB 4.48Å; L154-I176 HydrophobicContact CD1-CG2 3.82Å; L154-I176 HydrophobicContact CD2-CG2 4.07Å; L154-I176 HydrophobicContact CG-CG2 4.14Å; L172-I176 HydrophobicContact CD1-CG2 4.22Å; L172-I176 WeakPolarHBondContact O-CG1 3.43Å; L172-I176 PolarHBondContact O-N 2.93Å; G173-I176 PolarHBondContact O-N 2.63Å; K174-I176 VanDerWaalsContact C-N 3.32Å; K174-I176 PolarHBondContact O-N 2.99Å; I176-V179 WeakPolarHBondContact O-CB 3.38Å; I176-V179 WeakPolarHBondContact O-CG2 3.42Å; I176-V179 PolarHBondContact O-N 3.14Å; I176-W182 HydrophobicContact CD1-CB 3.9Å; I176-W182 HydrophobicContact CG1-CB 3.93Å; I176-K185 HydrophobicContact CD1-CB 4.17Å; I176-V186 HydrophobicContact CD1-CG2 3.8Å; I176-V186 HydrophobicContact CG1-CG2 4.43Å; I176-I189 HydrophobicContact CD1-CD1 4.49Å |
| 177 | Y | 97.4 | Very high | 98 | Very high | 143 Ų | 143 | 62.6 Ų | 62.6 | 56% | 0.561 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 137.6 | 173.3 | -177.8 | -93.8 | 0 | 0 | 0 | 111.2 | R153 G173 W182 | R153-Y177 PolarHBondContact NH2-O 3.45Å; G173-Y177 WeakPolarHBondContact O-CB 3.46Å; G173-Y177 PolarHBondContact O-N 3.35Å; Y177-W182 AromaticContact CD2-CD1 3.86Å; Y177-W182 AromaticContact CD2-NE1 3.65Å |
| 178 | P | 97.6 | Very high | 98 | Very high | 71 Ų | 71 | 65.8 Ų | 65.8 | 46% | 0.461 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -99.9 | 36.2 | 9.2 | 39.9 | -36.6 | 0 | 0 | 0 | 114.5 | V146 G180 | V146-P178 HydrophobicContact CG1-CG 3.96Å; P178-G180 PolarHBondContact O-N 3.25Å |
| 179 | V | 98 | Very high | 98 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -50.8 | 137.5 | 175.1 | 168.6 | 0 | 0 | 0 | 0 | 110.6 | L138 T142 V146 A150 I176 F181 W182 K185 | L138-V179 HydrophobicContact CB-CG1 4.45Å; L138-V179 HydrophobicContact CD2-CG1 4.11Å; L138-V179 HydrophobicContact CD2-CG2 4.47Å; L138-V179 WeakPolarHBondContact O-CG1 3.29Å; T142-V179 HydrophobicContact CG2-CB 4.31Å; T142-V179 HydrophobicContact CG2-CG1 4.12Å; T142-V179 HydrophobicContact CG2-CG2 4.15Å; V146-V179 HydrophobicContact CG1-CG2 4.07Å; A150-V179 HydrophobicContact CB-CG2 3.69Å; I176-V179 WeakPolarHBondContact O-CB 3.38Å; I176-V179 WeakPolarHBondContact O-CG2 3.42Å; I176-V179 PolarHBondContact O-N 3.14Å; V179-F181 PolarHBondContact O-N 3.33Å; V179-W182 WeakPolarHBondContact O-CB 3.29Å; V179-W182 PolarHBondContact O-N 2.92Å; V179-K185 HydrophobicContact CG1-CD 3.52Å |
| 180 | G | 95.4 | Very high | 98 | Very high | 23 Ų | 23 | 58.9 Ų | 58.9 | 24% | 0.237 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 136.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | T142 P178 W182 K185 | T142-G180 PolarHBondContact OG1-N 2.94Å; P178-G180 PolarHBondContact O-N 3.25Å; G180-W182 PolarHBondContact O-N 3.41Å; G180-K185 WeakPolarHBondContact O-CD 3.23Å; G180-K185 WeakPolarHBondContact O-CE 3.03Å; G180-K185 PolarHBondContact O-NZ 3.33Å |
| 181 | F | 96.7 | Very high | 98 | Very high | 126 Ų | 126 | 59.8 Ų | 59.8 | 55% | 0.553 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 32 | -177.6 | -50.1 | -83.3 | 0 | 0 | 0 | 114.3 | Q141 V179 R183 S184 K185 | Q141-F181 HydrophobicContact CB-CD2 4.37Å; Q141-F181 HydrophobicContact CB-CE2 4.03Å; Q141-F181 HydrophobicContact CG-CE2 4.49Å; V179-F181 PolarHBondContact O-N 3.33Å; F181-R183 PolarHBondContact O-N 3.34Å; F181-R183 VanDerWaalsContact O-N 3.11Å; F181-S184 PolarHBondContact O-N 3.12Å; F181-S184 VanDerWaalsContact O-N 3.08Å; F181-K185 PolarHBondContact O-N 3.36Å; F181-K185 VanDerWaalsContact O-N 3.1Å |
| 182 | W | 97.6 | Very high | 98 | Very high | 57 Ų | 57 | 57.1 Ų | 57.1 | 22% | 0.216 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -52.7 | -37.5 | -174.1 | 68.6 | -94.4 | 0 | 0 | 0 | 114 | G173 I176 Y177 V179 G180 S184 K185 V186 | G173-W182 VanDerWaalsContact CA-CE3 3.47Å; I176-W182 HydrophobicContact CD1-CB 3.9Å; I176-W182 HydrophobicContact CG1-CB 3.93Å; Y177-W182 AromaticContact CD2-CD1 3.86Å; Y177-W182 AromaticContact CD2-NE1 3.65Å; V179-W182 WeakPolarHBondContact O-CB 3.29Å; V179-W182 PolarHBondContact O-N 2.92Å; G180-W182 PolarHBondContact O-N 3.41Å; W182-S184 PolarHBondContact O-N 3.06Å; W182-K185 CarbonylContact O-C 3.34Å; W182-K185 PolarHBondContact O-N 3.14Å; W182-K185 VanDerWaalsContact O-N 3.09Å; W182-V186 HydrophobicContact CE3-CG2 3.98Å; W182-V186 HydrophobicContact CZ3-CG2 4.33Å; W182-V186 WeakPolarHBondContact O-CG2 3.5Å; W182-V186 PolarHBondContact O-N 2.97Å |
| 183 | R | 97.5 | Very high | 98 | Very high | 183 Ų | 183 | 57.1 Ų | 57.1 | 69% | 0.691 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -58.5 | -46 | 178.9 | -68.3 | -175.4 | 175.4 | 87 | -1.7 | 112.3 | F181 K185 | F181-R183 PolarHBondContact O-N 3.34Å; F181-R183 VanDerWaalsContact O-N 3.11Å; R183-K185 VanDerWaalsContact C-N 3.34Å |
| 184 | S | 97.6 | Very high | 98 | Very high | 57 Ų | 57 | 59.6 Ų | 59.6 | 40% | 0.399 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.9 | -37 | 175.5 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | F181 W182 K187 Y188 | F181-S184 PolarHBondContact O-N 3.12Å; F181-S184 VanDerWaalsContact O-N 3.08Å; W182-S184 PolarHBondContact O-N 3.06Å; S184-K187 WeakPolarHBondContact O-CB 3.48Å; S184-K187 PolarHBondContact O-N 2.84Å; S184-Y188 WeakPolarHBondContact O-CD2 3.5Å; S184-Y188 PolarHBondContact O-N 3.26Å |
| 185 | K | 98.3 | Very high | 98.1 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 5% | 0.048 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.9 | -37.4 | 177.9 | -71.4 | 173.6 | 173.3 | 172 | 0 | 112.9 | M137 L138 S140 T142 I176 V179 G180 F181 W182 R183 K187 Y188 I189 | M137-K185 WeakPolarHBondContact O-CE 3.42Å; L138-K185 HydrophobicContact CD2-CD 4.23Å; L138-K185 PolarHBondContact O-NZ 2.8Å; S140-K185 PolarHBondContact O-NZ 3.23Å; S140-K185 WeakPolarHBondContact OG-CE 3.33Å; S140-K185 PolarHBondContact OG-NZ 3.27Å; T142-K185 PolarHBondContact OG1-NZ 2.67Å; T142-K185 VanDerWaalsContact OG1-NZ 3.12Å; I176-K185 HydrophobicContact CD1-CB 4.17Å; V179-K185 HydrophobicContact CG1-CD 3.52Å; G180-K185 WeakPolarHBondContact O-CD 3.23Å; G180-K185 WeakPolarHBondContact O-CE 3.03Å; G180-K185 PolarHBondContact O-NZ 3.33Å; F181-K185 PolarHBondContact O-N 3.36Å; F181-K185 VanDerWaalsContact O-N 3.1Å; W182-K185 CarbonylContact O-C 3.34Å; W182-K185 PolarHBondContact O-N 3.14Å; W182-K185 VanDerWaalsContact O-N 3.09Å; R183-K185 VanDerWaalsContact C-N 3.34Å; K185-K187 VanDerWaalsContact C-N 3.32Å; K185-K187 PolarHBondContact O-N 2.77Å; K185-Y188 PolarHBondContact O-N 3.22Å; K185-I189 HydrophobicContact CB-CD1 4.47Å; K185-I189 VanDerWaalsContact O-CB 3.3Å; K185-I189 WeakPolarHBondContact O-CB 3.39Å; K185-I189 WeakPolarHBondContact O-CD1 3.47Å; K185-I189 WeakPolarHBondContact O-CG1 3.4Å; K185-I189 PolarHBondContact O-N 2.9Å |
| 186 | V | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.036 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -53.3 | -52 | 171.5 | 168.1 | 0 | 0 | 0 | 0 | 110 | D169 L172 I176 W182 Y188 I189 K190 | D169-V186 HydrophobicContact CB-CG1 3.81Å; L172-V186 HydrophobicContact CD2-CG1 4.21Å; L172-V186 HydrophobicContact CG-CG2 4.22Å; I176-V186 HydrophobicContact CD1-CG2 3.8Å; I176-V186 HydrophobicContact CG1-CG2 4.43Å; W182-V186 HydrophobicContact CE3-CG2 3.98Å; W182-V186 HydrophobicContact CZ3-CG2 4.33Å; W182-V186 WeakPolarHBondContact O-CG2 3.5Å; W182-V186 PolarHBondContact O-N 2.97Å; V186-Y188 PolarHBondContact O-N 3.44Å; V186-I189 PolarHBondContact O-N 3.45Å; V186-K190 WeakPolarHBondContact O-CB 3.25Å; V186-K190 WeakPolarHBondContact O-CG 3.43Å; V186-K190 PolarHBondContact O-N 3.26Å |
| 187 | K | 98.4 | Very high | 98.1 | Very high | 122 Ų | 122 | 56 Ų | 56 | 53% | 0.53 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.9 | -48.9 | 178.3 | -179.5 | 178.9 | 176.9 | 178.8 | 0 | 112 | S184 K185 K190 Q191 | S184-K187 WeakPolarHBondContact O-CB 3.48Å; S184-K187 PolarHBondContact O-N 2.84Å; K185-K187 VanDerWaalsContact C-N 3.32Å; K185-K187 PolarHBondContact O-N 2.77Å; K187-K190 PolarHBondContact O-N 2.98Å; K187-Q191 VanDerWaalsContact CE-NE2 3.31Å; K187-Q191 HydrophobicContact CG-CG 4.45Å; K187-Q191 WeakPolarHBondContact O-CB 3.17Å; K187-Q191 VanDerWaalsContact O-CG 3.23Å; K187-Q191 WeakPolarHBondContact O-CG 3.28Å; K187-Q191 PolarHBondContact O-N 3.04Å |
| 188 | Y | 98.3 | Very high | 98.1 | Very high | 97 Ų | 97 | 56.2 Ų | 56.2 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | -179.4 | -64 | -32.3 | 0 | 0 | 0 | 113.1 | S184 K185 V186 Q191 T192 P215 | S184-Y188 WeakPolarHBondContact O-CD2 3.5Å; S184-Y188 PolarHBondContact O-N 3.26Å; K185-Y188 PolarHBondContact O-N 3.22Å; V186-Y188 PolarHBondContact O-N 3.44Å; Y188-Q191 PolarHBondContact O-N 3.43Å; Y188-T192 WeakPolarHBondContact O-CB 3.27Å; Y188-T192 PolarHBondContact O-N 3.29Å; Y188-T192 PolarHBondContact O-OG1 3.35Å; Y188-P215 HydrophobicContact CD1-CB 3.91Å; Y188-P215 HydrophobicContact CG-CB 4.47Å |
| 189 | I | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 177 | -72.8 | 166.1 | 0 | 0 | 0 | 110.2 | L134 M137 L138 I164 L172 I176 K185 V186 T192 S193 | L134-I189 HydrophobicContact CD2-CG2 4.25Å; L134-I189 HydrophobicContact CG-CG2 4.38Å; M137-I189 HydrophobicContact CE-CG1 3.99Å; M137-I189 HydrophobicContact SD-CG1 4.35Å; L138-I189 HydrophobicContact CD2-CD1 3.71Å; L138-I189 HydrophobicContact CG-CD1 4.35Å; I164-I189 HydrophobicContact CD1-CG2 4.5Å; I164-I189 HydrophobicContact CG2-CG2 3.64Å; L172-I189 HydrophobicContact CD2-CG2 4.12Å; I176-I189 HydrophobicContact CD1-CD1 4.49Å; K185-I189 HydrophobicContact CB-CD1 4.47Å; K185-I189 VanDerWaalsContact O-CB 3.3Å; K185-I189 WeakPolarHBondContact O-CB 3.39Å; K185-I189 WeakPolarHBondContact O-CD1 3.47Å; K185-I189 WeakPolarHBondContact O-CG1 3.4Å; K185-I189 PolarHBondContact O-N 2.9Å; V186-I189 PolarHBondContact O-N 3.45Å; I189-T192 PolarHBondContact O-N 2.91Å; I189-S193 WeakPolarHBondContact O-CB 3.37Å; I189-S193 PolarHBondContact O-N 3.47Å; I189-S193 PolarHBondContact O-OG 3Å |
| 190 | K | 98.6 | Very high | 98.1 | Very high | 33 Ų | 33 | 64.7 Ų | 64.7 | 14% | 0.143 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.9 | -53.1 | 175.6 | -78.2 | -67.2 | -153.2 | 171.6 | 0 | 111.9 | I164 L165 T167 D169 L172 V186 K187 T192 S193 T194 | I164-K190 HydrophobicContact CG2-CD 4.42Å; I164-K190 WeakPolarHBondContact O-CE 3.38Å; I164-K190 PolarHBondContact O-NZ 2.76Å; L165-K190 PolarHBondContact O-NZ 2.88Å; T167-K190 WeakPolarHBondContact O-CE 3.43Å; T167-K190 PolarHBondContact O-NZ 2.71Å; D169-K190 VanDerWaalsContact OD1-CE 3.29Å; D169-K190 WeakPolarHBondContact OD1-CE 2.98Å; L172-K190 HydrophobicContact CD2-CG 4.31Å; V186-K190 WeakPolarHBondContact O-CB 3.25Å; V186-K190 WeakPolarHBondContact O-CG 3.43Å; V186-K190 PolarHBondContact O-N 3.26Å; K187-K190 PolarHBondContact O-N 2.98Å; K190-T192 VanDerWaalsContact C-N 3.34Å; K190-T192 PolarHBondContact O-N 3.24Å; K190-S193 PolarHBondContact O-N 2.66Å; K190-T194 PolarHBondContact O-N 3.33Å; K190-T194 PolarHBondContact O-OG1 3.46Å; K190-T194 VanDerWaalsContact O-OG1 3.12Å |
| 191 | Q | 98.8 | Very high | 98.2 | Very high | 77 Ų | 77 | 66.1 Ų | 66.1 | 36% | 0.36 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60 | -43.8 | 179.8 | -71.1 | 177.1 | -25.9 | 0 | 0 | 112.2 | K187 Y188 T194 I195 P215 | K187-Q191 VanDerWaalsContact CE-NE2 3.31Å; K187-Q191 HydrophobicContact CG-CG 4.45Å; K187-Q191 WeakPolarHBondContact O-CB 3.17Å; K187-Q191 VanDerWaalsContact O-CG 3.23Å; K187-Q191 WeakPolarHBondContact O-CG 3.28Å; K187-Q191 PolarHBondContact O-N 3.04Å; Y188-Q191 PolarHBondContact O-N 3.43Å; Q191-T194 PolarHBondContact O-N 3.27Å; Q191-I195 WeakPolarHBondContact O-CG1 3.47Å; Q191-I195 PolarHBondContact O-N 3.08Å; Q191-P215 HydrophobicContact CB-CB 4.39Å; Q191-P215 HydrophobicContact CB-CG 3.98Å |
| 192 | T | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.4 | -50.8 | 175.5 | -64.3 | 0 | 0 | 0 | 0 | 110 | L133 M137 Y188 I189 K190 T194 I195 L196 L214 P215 | L133-T192 HydrophobicContact CD2-CG2 3.99Å; M137-T192 WeakPolarHBondContact CE-OG1 3.44Å; M137-T192 HydrophobicContact SD-CG2 4.25Å; Y188-T192 WeakPolarHBondContact O-CB 3.27Å; Y188-T192 PolarHBondContact O-N 3.29Å; Y188-T192 PolarHBondContact O-OG1 3.35Å; I189-T192 PolarHBondContact O-N 2.91Å; K190-T192 VanDerWaalsContact C-N 3.34Å; K190-T192 PolarHBondContact O-N 3.24Å; T192-T194 VanDerWaalsContact C-N 3.29Å; T192-T194 PolarHBondContact O-N 3.12Å; T192-I195 WeakPolarHBondContact O-CA 3.47Å; T192-I195 WeakPolarHBondContact O-CB 3.28Å; T192-I195 PolarHBondContact O-N 3.25Å; T192-L196 HydrophobicContact CG2-CD1 4.26Å; T192-L196 HydrophobicContact CG2-CG 4.2Å; T192-L196 VanDerWaalsContact O-CG 3.31Å; T192-L196 WeakPolarHBondContact O-CG 3.47Å; T192-L196 PolarHBondContact O-N 2.9Å; T192-L214 HydrophobicContact CG2-CB 4.35Å; T192-L214 HydrophobicContact CG2-CD1 4.06Å; T192-L214 HydrophobicContact CG2-CD2 4.32Å; T192-L214 HydrophobicContact CG2-CG 4.48Å; T192-P215 PolarHBondContact OG1-O 3.39Å |
| 193 | S | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.9 | -38.9 | -179.4 | -53.4 | 0 | 0 | 0 | 0 | 112.2 | Y130 V161 I164 I189 K190 L196 Q197 | Y130-S193 PolarHBondContact OH-OG 3.46Å; V161-S193 WeakPolarHBondContact CG1-O 3.3Å; I164-S193 WeakPolarHBondContact CG2-OG 3.48Å; I189-S193 WeakPolarHBondContact O-CB 3.37Å; I189-S193 PolarHBondContact O-N 3.47Å; I189-S193 PolarHBondContact O-OG 3Å; K190-S193 PolarHBondContact O-N 2.66Å; S193-L196 PolarHBondContact O-N 3.22Å; S193-Q197 WeakPolarHBondContact O-CB 3.19Å; S193-Q197 PolarHBondContact O-N 3.01Å |
| 194 | T | 98.8 | Very high | 98.4 | Very high | 54 Ų | 54 | 50.4 Ų | 50.4 | 33% | 0.331 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 173 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | L165 K190 Q191 T192 Q197 Q198 | L165-T194 WeakPolarHBondContact CD2-OG1 3.49Å; K190-T194 PolarHBondContact O-N 3.33Å; K190-T194 PolarHBondContact O-OG1 3.46Å; K190-T194 VanDerWaalsContact O-OG1 3.12Å; Q191-T194 PolarHBondContact O-N 3.27Å; T192-T194 VanDerWaalsContact C-N 3.29Å; T192-T194 PolarHBondContact O-N 3.12Å; T194-Q197 PolarHBondContact O-N 2.86Å; T194-Q198 HydrophobicContact CG2-CG 4.44Å; T194-Q198 WeakPolarHBondContact O-CB 3.11Å; T194-Q198 VanDerWaalsContact O-CG 3.29Å; T194-Q198 WeakPolarHBondContact O-CG 3.43Å; T194-Q198 PolarHBondContact O-N 3.04Å |
| 195 | I | 98.8 | Very high | 98.4 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 21% | 0.205 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62 | -44.2 | 177.9 | -69 | 163.5 | 0 | 0 | 0 | 110.7 | Q191 T192 Q198 R199 Y200 L214 P215 | Q191-I195 WeakPolarHBondContact O-CG1 3.47Å; Q191-I195 PolarHBondContact O-N 3.08Å; T192-I195 WeakPolarHBondContact O-CA 3.47Å; T192-I195 WeakPolarHBondContact O-CB 3.28Å; T192-I195 PolarHBondContact O-N 3.25Å; I195-Q198 PolarHBondContact O-N 3.43Å; I195-R199 WeakPolarHBondContact O-CB 3.36Å; I195-R199 PolarHBondContact O-N 3.45Å; I195-Y200 HydrophobicContact CG2-CD2 4.29Å; I195-Y200 HydrophobicContact CG2-CE2 3.91Å; I195-L214 HydrophobicContact CB-CD2 4.39Å; I195-L214 HydrophobicContact CG2-CD2 3.8Å; I195-P215 HydrophobicContact CD1-CG 3.95Å |
| 196 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.4 | -47 | 178.2 | -61.3 | -169.2 | 0 | 0 | 0 | 111.2 | Y130 L133 V161 T192 S193 Q198 Y200 G201 G202 D203 I204 L214 | Y130-L196 HydrophobicContact CD2-CD1 3.68Å; Y130-L196 HydrophobicContact CE2-CD1 3.9Å; L133-L196 HydrophobicContact CD2-CD1 4.1Å; V161-L196 HydrophobicContact CG2-CB 4.3Å; V161-L196 HydrophobicContact CG2-CD1 4.23Å; T192-L196 HydrophobicContact CG2-CD1 4.26Å; T192-L196 HydrophobicContact CG2-CG 4.2Å; T192-L196 VanDerWaalsContact O-CG 3.31Å; T192-L196 WeakPolarHBondContact O-CG 3.47Å; T192-L196 PolarHBondContact O-N 2.9Å; S193-L196 PolarHBondContact O-N 3.22Å; L196-Q198 VanDerWaalsContact C-N 3.35Å; L196-Q198 PolarHBondContact O-N 2.95Å; L196-Y200 HydrophobicContact CD2-CD2 3.92Å; L196-Y200 CarbonylContact O-C 3.09Å; L196-Y200 WeakPolarHBondContact O-CA 3.5Å; L196-Y200 PolarHBondContact O-N 3.29Å; L196-G201 PolarHBondContact O-N 2.79Å; L196-G202 PolarHBondContact O-N 2.85Å; L196-D203 WeakPolarHBondContact CD2-O 3.43Å; L196-I204 HydrophobicContact CD1-CG2 3.92Å; L196-L214 HydrophobicContact CD2-CD1 4.14Å; L196-L214 HydrophobicContact CD2-CD2 4.03Å |
| 197 | Q | 98.6 | Very high | 98.3 | Very high | 75 Ų | 75 | 51.6 Ų | 51.6 | 35% | 0.35 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 178.1 | -168.1 | 63.5 | 19.1 | 0 | 0 | 112 | V161 D162 L165 S193 T194 | V161-Q197 HydrophobicContact CG1-CB 3.98Å; D162-Q197 PolarHBondContact OD1-OE1 3.38Å; L165-Q197 HydrophobicContact CD1-CB 3.9Å; L165-Q197 HydrophobicContact CD1-CG 4.13Å; S193-Q197 WeakPolarHBondContact O-CB 3.19Å; S193-Q197 PolarHBondContact O-N 3.01Å; T194-Q197 PolarHBondContact O-N 2.86Å |
| 198 | Q | 98.3 | Very high | 98.3 | Very high | 147 Ų | 147 | 47.5 Ų | 47.5 | 69% | 0.687 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -78.7 | -35.8 | -173.3 | -70.8 | 175.4 | -9.7 | 0 | 0 | 114 | T194 I195 L196 | T194-Q198 HydrophobicContact CG2-CG 4.44Å; T194-Q198 WeakPolarHBondContact O-CB 3.11Å; T194-Q198 VanDerWaalsContact O-CG 3.29Å; T194-Q198 WeakPolarHBondContact O-CG 3.43Å; T194-Q198 PolarHBondContact O-N 3.04Å; I195-Q198 PolarHBondContact O-N 3.43Å; L196-Q198 VanDerWaalsContact C-N 3.35Å; L196-Q198 PolarHBondContact O-N 2.95Å |
| 199 | R | 98.2 | Very high | 98.3 | Very high | 189 Ų | 189 | 46.8 Ų | 46.8 | 71% | 0.713 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -113.2 | -25.3 | -169.1 | -60.1 | -171.2 | -176.1 | -174.9 | -1.3 | 114.5 | I195 | I195-R199 WeakPolarHBondContact O-CB 3.36Å; I195-R199 PolarHBondContact O-N 3.45Å |
| 200 | Y | 98.1 | Very high | 98.3 | Very high | 62 Ų | 62 | 50.6 Ų | 50.6 | 24% | 0.243 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -121.4 | 17.4 | -172.8 | -57.9 | -79.6 | 0 | 0 | 0 | 111.8 | I195 L196 G202 D203 P205 | I195-Y200 HydrophobicContact CG2-CD2 4.29Å; I195-Y200 HydrophobicContact CG2-CE2 3.91Å; L196-Y200 HydrophobicContact CD2-CD2 3.92Å; L196-Y200 CarbonylContact O-C 3.09Å; L196-Y200 WeakPolarHBondContact O-CA 3.5Å; L196-Y200 PolarHBondContact O-N 3.29Å; Y200-G202 PolarHBondContact O-N 3.42Å; Y200-G202 VanDerWaalsContact O-N 3.1Å; Y200-D203 WeakPolarHBondContact CB-O 3.47Å; Y200-D203 PolarHBondContact O-N 3.36Å; Y200-P205 HydrophobicContact CD1-CB 4.26Å; Y200-P205 HydrophobicContact CD1-CG 4.1Å; Y200-P205 HydrophobicContact CD2-CG 4.23Å; Y200-P205 HydrophobicContact CE1-CB 3.82Å; Y200-P205 HydrophobicContact CE1-CG 3.73Å; Y200-P205 HydrophobicContact CE2-CG 3.85Å; Y200-P205 HydrophobicContact CG-CG 4.34Å |
| 201 | G | 97.1 | Very high | 98.3 | Very high | 52 Ų | 52 | 49 Ų | 49 | 54% | 0.536 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 26.8 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | K126 L196 | K126-G201 WeakPolarHBondContact CE-O 3.24Å; K126-G201 PolarHBondContact NZ-O 2.97Å; L196-G201 PolarHBondContact O-N 2.79Å |
| 202 | G | 97.3 | Very high | 98.3 | Very high | 4 Ų | 4 | 48 Ų | 48 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 7.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | K126 V161 L196 Y200 | K126-G202 WeakPolarHBondContact CE-O 3.47Å; V161-G202 WeakPolarHBondContact CG2-O 3.49Å; L196-G202 PolarHBondContact O-N 2.85Å; Y200-G202 PolarHBondContact O-N 3.42Å; Y200-G202 VanDerWaalsContact O-N 3.1Å |
| 203 | D | 98.5 | Very high | 98.3 | Very high | 27 Ų | 27 | 51.8 Ų | 51.8 | 14% | 0.144 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -99.5 | 170.4 | 170.8 | -152.3 | -15.5 | 0 | 0 | 0 | 110.6 | K126 R129 L196 Y200 | K126-D203 HydrophobicContact CD-CB 4.29Å; K126-D203 HydrophobicContact CG-CB 3.87Å; R129-D203 IonicContact CZ-OD1 3.8Å; R129-D203 IonicContact CZ-OD2 3.3Å; R129-D203 VanDerWaalsContact CZ-OD2 3.3Å; R129-D203 IonicContact NE-OD1 2.93Å; R129-D203 PolarHBondContact NE-OD1 2.97Å; R129-D203 IonicContact NE-OD2 3.17Å; R129-D203 PolarHBondContact NE-OD2 2.92Å; R129-D203 IonicContact NH2-OD1 3.8Å; R129-D203 IonicContact NH2-OD2 2.66Å; R129-D203 PolarHBondContact NH2-OD2 3.11Å; L196-D203 WeakPolarHBondContact CD2-O 3.43Å; Y200-D203 WeakPolarHBondContact CB-O 3.47Å; Y200-D203 PolarHBondContact O-N 3.36Å |
| 204 | I | 98.5 | Very high | 98.3 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 157.7 | 172.6 | 73.5 | 173.1 | 0 | 0 | 0 | 110.4 | R129 L133 L196 L211 A229 W230 | R129-I204 HydrophobicContact CB-CD1 3.84Å; R129-I204 HydrophobicContact CB-CG1 3.96Å; R129-I204 HydrophobicContact CG-CD1 4.45Å; L133-I204 HydrophobicContact CB-CG2 3.95Å; L133-I204 HydrophobicContact CD2-CB 4.25Å; L133-I204 HydrophobicContact CD2-CG2 3.55Å; L133-I204 HydrophobicContact CG-CG2 4.39Å; L196-I204 HydrophobicContact CD1-CG2 3.92Å; I204-L211 HydrophobicContact CB-CD2 4.47Å; I204-L211 HydrophobicContact CD1-CD2 4.45Å; I204-A229 HydrophobicContact CD1-CB 3.72Å; I204-W230 HydrophobicContact CG1-CZ2 3.85Å; I204-W230 WeakPolarHBondContact O-CZ2 3.44Å |
| 205 | P | 98.3 | Very high | 98.2 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.013 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 151.6 | 172.8 | -16 | 28.1 | 0 | 0 | 0 | 112.5 | Y200 E210 L211 L214 W230 | Y200-P205 HydrophobicContact CD1-CB 4.26Å; Y200-P205 HydrophobicContact CD1-CG 4.1Å; Y200-P205 HydrophobicContact CD2-CG 4.23Å; Y200-P205 HydrophobicContact CE1-CB 3.82Å; Y200-P205 HydrophobicContact CE1-CG 3.73Å; Y200-P205 HydrophobicContact CE2-CG 3.85Å; Y200-P205 HydrophobicContact CG-CG 4.34Å; P205-E210 HydrophobicContact CB-CB 3.43Å; P205-E210 VanDerWaalsContact CB-CB 3.43Å; P205-E210 HydrophobicContact CB-CG 4.49Å; P205-E210 HydrophobicContact CG-CB 3.96Å; P205-L211 HydrophobicContact CB-CG 4.32Å; P205-L211 HydrophobicContact CG-CD2 4.4Å; P205-L214 HydrophobicContact CG-CD1 4.22Å; P205-W230 PolarHBondContact O-NE1 3.1Å |
| 206 | A | 97.5 | Very high | 98.1 | Very high | 60 Ų | 60 | 51 Ų | 51 | 50% | 0.496 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -101.1 | 21.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | M226 W230 | A206-M226 VanDerWaalsContact O-CE 3.25Å; A206-M226 WeakPolarHBondContact O-CE 3.15Å; A206-W230 HydrophobicContact CB-CD2 4.21Å; A206-W230 HydrophobicContact CB-CH2 4.24Å; A206-W230 HydrophobicContact CB-CZ2 3.87Å |
| 207 | S | 98.3 | Very high | 98 | Very high | 37 Ų | 37 | 51.5 Ų | 51.5 | 26% | 0.259 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -137.2 | 148.8 | 176.1 | 80 | 0 | 0 | 0 | 0 | 111.9 | A209 E210 L211 | S207-A209 VanDerWaalsContact C-N 3.33Å; S207-A209 PolarHBondContact O-N 2.81Å; S207-E210 WeakPolarHBondContact CB-OE2 3.19Å; S207-E210 PolarHBondContact O-N 3.17Å; S207-E210 WeakPolarHBondContact OG-CB 3.45Å; S207-E210 VanDerWaalsContact OG-CG 3.23Å; S207-E210 WeakPolarHBondContact OG-CG 3.43Å; S207-E210 PolarHBondContact OG-N 3.27Å; S207-E210 PolarHBondContact OG-OE2 3.06Å; S207-L211 WeakPolarHBondContact O-CB 3.32Å; S207-L211 WeakPolarHBondContact O-CD1 3.41Å; S207-L211 VanDerWaalsContact O-CG 3.31Å; S207-L211 WeakPolarHBondContact O-CG 3.4Å; S207-L211 PolarHBondContact O-N 2.79Å |
| 208 | V | 98.2 | Very high | 97.9 | Very high | 37 Ų | 37 | 49.2 Ų | 49.2 | 22% | 0.224 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.5 | -44 | 178.6 | 175.2 | 0 | 0 | 0 | 0 | 111 | E210 L211 V212 A222 M226 S234 | V208-E210 PolarHBondContact O-N 3.05Å; V208-L211 PolarHBondContact O-N 2.97Å; V208-V212 HydrophobicContact CG1-CG2 4.31Å; V208-V212 VanDerWaalsContact O-CG2 3.32Å; V208-V212 WeakPolarHBondContact O-CG2 3.48Å; V208-V212 PolarHBondContact O-N 3.33Å; V208-A222 HydrophobicContact CG1-CB 3.9Å; V208-M226 HydrophobicContact CG2-CG 3.75Å; V208-S234 WeakPolarHBondContact CG2-OG 3.09Å |
| 209 | A | 98.3 | Very high | 97.8 | Very high | 81 Ų | 81 | 44.9 Ų | 44.9 | 67% | 0.669 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -61.8 | -43.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S207 A213 | S207-A209 VanDerWaalsContact C-N 3.33Å; S207-A209 PolarHBondContact O-N 2.81Å; A209-A213 PolarHBondContact O-N 2.7Å |
| 210 | E | 98.4 | Very high | 97.7 | Very high | 80 Ų | 80 | 38.2 Ų | 38.2 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -72.9 | -36.1 | 178.4 | -68 | 172.2 | 113.5 | 0 | 0 | 112.4 | P205 S207 V208 A213 | P205-E210 HydrophobicContact CB-CB 3.43Å; P205-E210 VanDerWaalsContact CB-CB 3.43Å; P205-E210 HydrophobicContact CB-CG 4.49Å; P205-E210 HydrophobicContact CG-CB 3.96Å; S207-E210 WeakPolarHBondContact CB-OE2 3.19Å; S207-E210 PolarHBondContact O-N 3.17Å; S207-E210 WeakPolarHBondContact OG-CB 3.45Å; S207-E210 VanDerWaalsContact OG-CG 3.23Å; S207-E210 WeakPolarHBondContact OG-CG 3.43Å; S207-E210 PolarHBondContact OG-N 3.27Å; S207-E210 PolarHBondContact OG-OE2 3.06Å; V208-E210 PolarHBondContact O-N 3.05Å; E210-A213 WeakPolarHBondContact O-CB 3.47Å; E210-A213 PolarHBondContact O-N 2.78Å |
| 211 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 173.5 | -77.1 | 163.8 | 0 | 0 | 0 | 111.3 | L133 I204 P205 S207 V208 A213 L214 V217 A222 A225 M226 | L133-L211 HydrophobicContact CD1-CD2 4.39Å; I204-L211 HydrophobicContact CB-CD2 4.47Å; I204-L211 HydrophobicContact CD1-CD2 4.45Å; P205-L211 HydrophobicContact CB-CG 4.32Å; P205-L211 HydrophobicContact CG-CD2 4.4Å; S207-L211 WeakPolarHBondContact O-CB 3.32Å; S207-L211 WeakPolarHBondContact O-CD1 3.41Å; S207-L211 VanDerWaalsContact O-CG 3.31Å; S207-L211 WeakPolarHBondContact O-CG 3.4Å; S207-L211 PolarHBondContact O-N 2.79Å; V208-L211 PolarHBondContact O-N 2.97Å; L211-A213 PolarHBondContact O-N 3.34Å; L211-L214 HydrophobicContact CD2-CD1 4.21Å; L211-L214 VanDerWaalsContact O-CB 3.29Å; L211-L214 WeakPolarHBondContact O-CB 3.43Å; L211-L214 WeakPolarHBondContact O-CG 3.39Å; L211-L214 PolarHBondContact O-N 3.28Å; L211-V217 VanDerWaalsContact O-CB 3.28Å; L211-V217 WeakPolarHBondContact O-CB 3.24Å; L211-V217 WeakPolarHBondContact O-CG1 3.42Å; L211-A222 HydrophobicContact CB-CB 3.66Å; L211-A222 HydrophobicContact CD1-CB 4.31Å; L211-A225 HydrophobicContact CD1-CB 3.98Å; L211-A225 HydrophobicContact CD2-CB 4.34Å; L211-M226 HydrophobicContact CD1-CG 3.94Å; L211-M226 HydrophobicContact CD1-SD 3.72Å |
| 212 | V | 98.4 | Very high | 97.8 | Very high | 57 Ų | 57 | 33.8 Ų | 33.8 | 35% | 0.345 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.1 | -25 | 176.7 | 172.8 | 0 | 0 | 0 | 0 | 112.3 | V208 L214 P219 A222 | V208-V212 HydrophobicContact CG1-CG2 4.31Å; V208-V212 VanDerWaalsContact O-CG2 3.32Å; V208-V212 WeakPolarHBondContact O-CG2 3.48Å; V208-V212 PolarHBondContact O-N 3.33Å; V212-L214 PolarHBondContact O-N 2.75Å; V212-P219 HydrophobicContact CG2-CG 4.45Å; V212-A222 HydrophobicContact CG2-CB 3.62Å |
| 213 | A | 98.3 | Very high | 97.8 | Very high | 78 Ų | 78 | 34.3 Ų | 34.3 | 65% | 0.645 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -12.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A209 E210 L211 | A209-A213 PolarHBondContact O-N 2.7Å; E210-A213 WeakPolarHBondContact O-CB 3.47Å; E210-A213 PolarHBondContact O-N 2.78Å; L211-A213 PolarHBondContact O-N 3.34Å |
| 214 | L | 98.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -74.9 | 141.4 | 176.8 | -60.5 | 173.9 | 0 | 0 | 0 | 111.5 | L133 T192 I195 L196 P205 L211 V212 G216 V217 | L133-L214 HydrophobicContact CD2-CD1 3.9Å; T192-L214 HydrophobicContact CG2-CB 4.35Å; T192-L214 HydrophobicContact CG2-CD1 4.06Å; T192-L214 HydrophobicContact CG2-CD2 4.32Å; T192-L214 HydrophobicContact CG2-CG 4.48Å; I195-L214 HydrophobicContact CB-CD2 4.39Å; I195-L214 HydrophobicContact CG2-CD2 3.8Å; L196-L214 HydrophobicContact CD2-CD1 4.14Å; L196-L214 HydrophobicContact CD2-CD2 4.03Å; P205-L214 HydrophobicContact CG-CD1 4.22Å; L211-L214 HydrophobicContact CD2-CD1 4.21Å; L211-L214 VanDerWaalsContact O-CB 3.29Å; L211-L214 WeakPolarHBondContact O-CB 3.43Å; L211-L214 WeakPolarHBondContact O-CG 3.39Å; L211-L214 PolarHBondContact O-N 3.28Å; V212-L214 PolarHBondContact O-N 2.75Å; L214-G216 PolarHBondContact O-N 3.11Å; L214-V217 HydrophobicContact CB-CB 4.11Å; L214-V217 HydrophobicContact CB-CG2 3.72Å; L214-V217 HydrophobicContact CD1-CG2 4.47Å; L214-V217 PolarHBondContact O-N 3.1Å; L214-V217 VanDerWaalsContact O-N 3.13Å |
| 215 | P | 97.8 | Very high | 97.8 | Very high | 31 Ų | 31 | 33.6 Ų | 33.6 | 20% | 0.201 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 123.4 | 179.1 | -25.1 | 33.9 | 0 | 0 | 0 | 112.9 | M137 Y188 Q191 T192 I195 V217 | M137-P215 WeakPolarHBondContact CE-O 3.32Å; Y188-P215 HydrophobicContact CD1-CB 3.91Å; Y188-P215 HydrophobicContact CG-CB 4.47Å; Q191-P215 HydrophobicContact CB-CB 4.39Å; Q191-P215 HydrophobicContact CB-CG 3.98Å; T192-P215 PolarHBondContact OG1-O 3.39Å; I195-P215 HydrophobicContact CD1-CG 3.95Å; P215-V217 VanDerWaalsContact C-N 3.29Å; P215-V217 PolarHBondContact O-N 2.78Å |
| 216 | G | 95.5 | Very high | 97.8 | Very high | 42 Ų | 42 | 34 Ų | 34 | 43% | 0.433 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 5.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | L214 | L214-G216 PolarHBondContact O-N 3.11Š|
| 217 | V | 98.1 | Very high | 97.8 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | trans | -98.9 | 117.7 | 176.2 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | L133 M137 L211 L214 P215 M221 | L133-V217 HydrophobicContact CD1-CG2 4.01Å; M137-V217 HydrophobicContact CG-CG2 4.13Å; M137-V217 HydrophobicContact SD-CG2 4.39Å; L211-V217 VanDerWaalsContact O-CB 3.28Å; L211-V217 WeakPolarHBondContact O-CB 3.24Å; L211-V217 WeakPolarHBondContact O-CG1 3.42Å; L214-V217 HydrophobicContact CB-CB 4.11Å; L214-V217 HydrophobicContact CB-CG2 3.72Å; L214-V217 HydrophobicContact CD1-CG2 4.47Å; L214-V217 PolarHBondContact O-N 3.1Å; L214-V217 VanDerWaalsContact O-N 3.13Å; P215-V217 VanDerWaalsContact C-N 3.29Å; P215-V217 PolarHBondContact O-N 2.78Å; V217-M221 HydrophobicContact CG1-CB 3.88Å | ||
| 218 | G | 96.5 | Very high | 97.7 | Very high | 27 Ų | 27 | 32.5 Ų | 32.5 | 28% | 0.278 | 22% | 0.22 | S | C | . | . | trans | -99.8 | 172 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K220 M221 A222 | G218-K220 VanDerWaalsContact C-N 3.33Å; G218-K220 PolarHBondContact O-N 2.96Å; G218-M221 WeakPolarHBondContact O-CB 3.18Å; G218-M221 PolarHBondContact O-N 3.43Å; G218-A222 PolarHBondContact O-N 3.34Å | ||
| 219 | P | 96.2 | Very high | 97.7 | Very high | 55 Ų | 55 | 31.2 Ų | 31.2 | 36% | 0.357 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -51.6 | -45 | -177.9 | -29.1 | 35.4 | 0 | 0 | 0 | 114.2 | V212 M221 A222 H223 E260 | V212-P219 HydrophobicContact CG2-CG 4.45Å; P219-M221 VanDerWaalsContact C-N 3.31Å; P219-M221 PolarHBondContact O-N 2.91Å; P219-A222 PolarHBondContact O-N 3.48Å; P219-A222 VanDerWaalsContact O-N 3.14Å; P219-H223 PolarHBondContact O-CD2 2.9Å; P219-H223 PolarHBondContact O-N 3.32Å; P219-E260 WeakPolarHBondContact CB-OE2 3.35Å |
| 220 | K | 96 | Very high | 97.7 | Very high | 50 Ų | 50 | 31 Ų | 31 | 22% | 0.217 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57 | -42.6 | 176.2 | -176.9 | -99.5 | 179.1 | 170.3 | 0 | 113 | G218 L224 A237 V238 D239 | G218-K220 VanDerWaalsContact C-N 3.33Å; G218-K220 PolarHBondContact O-N 2.96Å; K220-L224 HydrophobicContact CD-CD1 3.93Å; K220-L224 VanDerWaalsContact NZ-CD1 3.28Å; K220-L224 WeakPolarHBondContact O-CG 3.25Å; K220-L224 PolarHBondContact O-N 3.23Å; K220-L224 VanDerWaalsContact O-N 3.11Å; K220-A237 HydrophobicContact CG-CB 4.25Å; K220-V238 WeakPolarHBondContact CB-O 3.27Å; K220-V238 WeakPolarHBondContact CG-O 3.44Å; K220-D239 HydrophobicContact CD-CB 4.27Å; K220-D239 HydrophobicContact CG-CB 4.31Å; K220-D239 IonicContact NZ-OD2 3.44Å |
| 221 | M | 97.9 | Very high | 97.6 | Very high | 21 Ų | 21 | 30.3 Ų | 30.3 | 10% | 0.103 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.7 | -40.7 | 178.4 | -64 | -179.5 | -175.6 | 0 | 0 | 110.7 | L136 V217 G218 P219 L224 A225 | L136-M221 HydrophobicContact CB-CB 4.3Å; L136-M221 HydrophobicContact CB-CG 4.23Å; L136-M221 WeakPolarHBondContact CD1-O 3.24Å; L136-M221 VanDerWaalsContact O-CE 3.28Å; L136-M221 WeakPolarHBondContact O-CE 3.33Å; V217-M221 HydrophobicContact CG1-CB 3.88Å; G218-M221 WeakPolarHBondContact O-CB 3.18Å; G218-M221 PolarHBondContact O-N 3.43Å; P219-M221 VanDerWaalsContact C-N 3.31Å; P219-M221 PolarHBondContact O-N 2.91Å; M221-L224 PolarHBondContact O-N 3.31Å; M221-A225 VanDerWaalsContact O-CB 3.31Å; M221-A225 WeakPolarHBondContact O-CB 3.46Å; M221-A225 PolarHBondContact O-N 3.47Å |
| 222 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.4 | -44.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V208 L211 V212 G218 P219 A225 M226 | V208-A222 HydrophobicContact CG1-CB 3.9Å; L211-A222 HydrophobicContact CB-CB 3.66Å; L211-A222 HydrophobicContact CD1-CB 4.31Å; V212-A222 HydrophobicContact CG2-CB 3.62Å; G218-A222 PolarHBondContact O-N 3.34Å; P219-A222 PolarHBondContact O-N 3.48Å; P219-A222 VanDerWaalsContact O-N 3.14Å; A222-A225 PolarHBondContact O-N 3.03Å; A222-M226 WeakPolarHBondContact O-CG 3.12Å; A222-M226 PolarHBondContact O-N 2.88Å |
| 223 | H | 98.1 | Very high | 97.4 | Very high | 14 Ų | 14 | 33 Ų | 33 | 7% | 0.065 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.1 | -42.8 | 174.9 | -71 | -62 | 0 | 0 | 0 | 112.7 | P219 M226 A227 S234 G235 A237 | P219-H223 PolarHBondContact O-CD2 2.9Å; P219-H223 PolarHBondContact O-N 3.32Å; H223-M226 PolarHBondContact O-N 2.99Å; H223-A227 PolarHBondContact O-N 2.76Å; H223-S234 PolarHBondContact ND1-OG 3.31Å; H223-G235 PolarHBondContact ND1-N 2.96Å; H223-A237 HydrophobicContact CB-CB 4.29Å |
| 224 | L | 97.8 | Very high | 97.4 | Very high | 17 Ų | 17 | 31.2 Ų | 31.2 | 9% | 0.089 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.7 | -39.2 | 174.4 | -74.9 | -175.5 | 0 | 0 | 0 | 112.7 | V115 L136 K220 M221 A227 V228 A237 | V115-L224 HydrophobicContact CG1-CD1 4.43Å; L136-L224 HydrophobicContact CD1-CB 4.04Å; L136-L224 HydrophobicContact CD2-CB 3.77Å; L136-L224 HydrophobicContact CD2-CD1 3.53Å; L136-L224 HydrophobicContact CD2-CG 4.32Å; K220-L224 HydrophobicContact CD-CD1 3.93Å; K220-L224 VanDerWaalsContact NZ-CD1 3.28Å; K220-L224 WeakPolarHBondContact O-CG 3.25Å; K220-L224 PolarHBondContact O-N 3.23Å; K220-L224 VanDerWaalsContact O-N 3.11Å; M221-L224 PolarHBondContact O-N 3.31Å; L224-A227 PolarHBondContact O-N 2.85Å; L224-V228 WeakPolarHBondContact O-CB 3.43Å; L224-V228 WeakPolarHBondContact O-CG2 3.39Å; L224-V228 PolarHBondContact O-N 3.41Å; L224-A237 HydrophobicContact CD1-CB 4.48Å; L224-A237 HydrophobicContact CD2-CB 3.47Å; L224-A237 VanDerWaalsContact CD2-CB 3.47Å; L224-A237 HydrophobicContact CG-CB 3.57Å |
| 225 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64 | -42.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L136 L211 M221 A222 A227 A229 W230 | L136-A225 HydrophobicContact CD1-CB 3.85Å; L211-A225 HydrophobicContact CD1-CB 3.98Å; L211-A225 HydrophobicContact CD2-CB 4.34Å; M221-A225 VanDerWaalsContact O-CB 3.31Å; M221-A225 WeakPolarHBondContact O-CB 3.46Å; M221-A225 PolarHBondContact O-N 3.47Å; A222-A225 PolarHBondContact O-N 3.03Å; A225-A227 PolarHBondContact O-N 3.11Å; A225-A229 WeakPolarHBondContact O-CA 3.45Å; A225-A229 WeakPolarHBondContact O-CB 3.29Å; A225-A229 PolarHBondContact O-N 3.23Å; A225-W230 PolarHBondContact O-N 3.24Å |
| 226 | M | 98.5 | Very high | 97.3 | Very high | 12 Ų | 12 | 29.8 Ų | 29.8 | 6% | 0.059 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.5 | -45.5 | 173.3 | -69.1 | -55.4 | -58.7 | 0 | 0 | 112.1 | A206 V208 L211 A222 H223 W230 G231 T232 S234 | A206-M226 VanDerWaalsContact O-CE 3.25Å; A206-M226 WeakPolarHBondContact O-CE 3.15Å; V208-M226 HydrophobicContact CG2-CG 3.75Å; L211-M226 HydrophobicContact CD1-CG 3.94Å; L211-M226 HydrophobicContact CD1-SD 3.72Å; A222-M226 WeakPolarHBondContact O-CG 3.12Å; A222-M226 PolarHBondContact O-N 2.88Å; H223-M226 PolarHBondContact O-N 2.99Å; M226-W230 HydrophobicContact CE-CB 4.19Å; M226-W230 HydrophobicContact CE-CG 4.33Å; M226-W230 CarbonylContact O-C 3.57Å; M226-W230 WeakPolarHBondContact O-CA 3.31Å; M226-W230 VanDerWaalsContact O-CB 3.3Å; M226-W230 WeakPolarHBondContact O-CB 3.32Å; M226-W230 PolarHBondContact O-N 2.92Å; M226-W230 HydrophobicContact SD-CG 4.36Å; M226-G231 PolarHBondContact O-N 3.08Å; M226-G231 VanDerWaalsContact O-N 3.12Å; M226-T232 CarbonylContact C-O 3.32Å; M226-T232 WeakPolarHBondContact CB-O 3Å; M226-T232 HydrophobicContact CE-CG2 4.24Å; M226-T232 PolarHBondContact O-N 3.11Å; M226-S234 WeakPolarHBondContact CB-OG 3.31Å |
| 227 | A | 97.3 | Very high | 97.4 | Very high | 36 Ų | 36 | 28 Ų | 28 | 30% | 0.298 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.2 | -50.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | H223 L224 A225 G231 T232 | H223-A227 PolarHBondContact O-N 2.76Å; L224-A227 PolarHBondContact O-N 2.85Å; A225-A227 PolarHBondContact O-N 3.11Å; A227-G231 WeakPolarHBondContact O-CA 3.41Å; A227-G231 PolarHBondContact O-N 3.45Å; A227-G231 VanDerWaalsContact O-N 3.12Å; A227-T232 WeakPolarHBondContact CA-O 3.29Å; A227-T232 PolarHBondContact N-O 3.09Å |
| 228 | V | 97.3 | Very high | 97.4 | Very high | 29 Ų | 29 | 27.9 Ų | 27.9 | 18% | 0.176 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -85.8 | -39.9 | -170.7 | -178.1 | 0 | 0 | 0 | 0 | 112.4 | V115 E116 Y119 V132 L224 | V115-V228 HydrophobicContact CG1-CG2 4Å; V115-V228 HydrophobicContact CG2-CG1 4.33Å; V115-V228 HydrophobicContact CG2-CG2 4.47Å; E116-V228 HydrophobicContact CG-CG1 4.24Å; E116-V228 HydrophobicContact CG-CG2 3.92Å; Y119-V228 HydrophobicContact CE1-CG1 3.92Å; V132-V228 HydrophobicContact CG1-CB 4.09Å; V132-V228 HydrophobicContact CG1-CG1 4.07Å; V132-V228 HydrophobicContact CG2-CG1 3.93Å; L224-V228 WeakPolarHBondContact O-CB 3.43Å; L224-V228 WeakPolarHBondContact O-CG2 3.39Å; L224-V228 PolarHBondContact O-N 3.41Å |
| 229 | A | 97.6 | Very high | 97.3 | Very high | 10 Ų | 10 | 27.8 Ų | 27.8 | 8% | 0.083 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -85.7 | -34.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R129 V132 I204 A225 | R129-A229 HydrophobicContact CB-CB 4.12Å; R129-A229 HydrophobicContact CG-CB 3.79Å; R129-A229 WeakPolarHBondContact CG-O 3.47Å; V132-A229 HydrophobicContact CB-CB 4.17Å; V132-A229 HydrophobicContact CG1-CB 3.9Å; I204-A229 HydrophobicContact CD1-CB 3.72Å; A225-A229 WeakPolarHBondContact O-CA 3.45Å; A225-A229 WeakPolarHBondContact O-CB 3.29Å; A225-A229 PolarHBondContact O-N 3.23Å |
| 230 | W | 97.8 | Very high | 97.3 | Very high | 76 Ų | 76 | 29.8 Ų | 29.8 | 29% | 0.288 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -111.7 | -8.7 | -175.4 | -63.8 | 112 | 0 | 0 | 0 | 114.5 | R129 I204 P205 A206 A225 M226 T232 | R129-W230 VanDerWaalsContact CD-CH2 3.44Å; I204-W230 HydrophobicContact CG1-CZ2 3.85Å; I204-W230 WeakPolarHBondContact O-CZ2 3.44Å; P205-W230 PolarHBondContact O-NE1 3.1Å; A206-W230 HydrophobicContact CB-CD2 4.21Å; A206-W230 HydrophobicContact CB-CH2 4.24Å; A206-W230 HydrophobicContact CB-CZ2 3.87Å; A225-W230 PolarHBondContact O-N 3.24Å; M226-W230 HydrophobicContact CE-CB 4.19Å; M226-W230 HydrophobicContact CE-CG 4.33Å; M226-W230 CarbonylContact O-C 3.57Å; M226-W230 WeakPolarHBondContact O-CA 3.31Å; M226-W230 VanDerWaalsContact O-CB 3.3Å; M226-W230 WeakPolarHBondContact O-CB 3.32Å; M226-W230 PolarHBondContact O-N 2.92Å; M226-W230 HydrophobicContact SD-CG 4.36Å; W230-T232 PolarHBondContact O-N 3.27Å |
| 231 | G | 96.4 | Very high | 97.4 | Very high | 66 Ų | 66 | 29.2 Ų | 29.2 | 68% | 0.68 | 18% | 0.184 | S | C | * | . | S | Bend | trans | 70.8 | 17.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | M226 A227 | M226-G231 PolarHBondContact O-N 3.08Å; M226-G231 VanDerWaalsContact O-N 3.12Å; A227-G231 WeakPolarHBondContact O-CA 3.41Å; A227-G231 PolarHBondContact O-N 3.45Å; A227-G231 VanDerWaalsContact O-N 3.12Å |
| 232 | T | 97.2 | Very high | 97.4 | Very high | 69 Ų | 69 | 28.2 Ų | 28.2 | 42% | 0.423 | 18% | 0.179 | S | C | . | . | trans | -117 | 118.9 | -172.6 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | M226 A227 W230 S234 | M226-T232 CarbonylContact C-O 3.32Å; M226-T232 WeakPolarHBondContact CB-O 3Å; M226-T232 HydrophobicContact CE-CG2 4.24Å; M226-T232 PolarHBondContact O-N 3.11Å; A227-T232 WeakPolarHBondContact CA-O 3.29Å; A227-T232 PolarHBondContact N-O 3.09Å; W230-T232 PolarHBondContact O-N 3.27Å; T232-S234 PolarHBondContact O-N 3.28Å; T232-S234 VanDerWaalsContact O-N 3.14Å | ||
| 233 | V | 96.9 | Very high | 97.4 | Very high | 45 Ų | 45 | 30 Ų | 30 | 27% | 0.273 | 19% | 0.188 | S | C | . | . | trans | -81 | 94.7 | 174.5 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | R272 W275 H276 | V233-R272 PolarHBondContact O-NH2 3.18Å; V233-W275 HydrophobicContact CG1-CB 3.76Å; V233-W275 HydrophobicContact CG1-CE3 4.35Å; V233-H276 HydrophobicContact CG2-CB 3.84Å | ||
| 234 | S | 97 | Very high | 97.4 | Very high | 40 Ų | 40 | 31.3 Ų | 31.3 | 28% | 0.28 | 19% | 0.192 | S | C | . | . | trans | -89.7 | -13.8 | -179.1 | 61.2 | 0 | 0 | 0 | 0 | 114.3 | V208 H223 M226 T232 | V208-S234 WeakPolarHBondContact CG2-OG 3.09Å; H223-S234 PolarHBondContact ND1-OG 3.31Å; M226-S234 WeakPolarHBondContact CB-OG 3.31Å; T232-S234 PolarHBondContact O-N 3.28Å; T232-S234 VanDerWaalsContact O-N 3.14Å | ||
| 235 | G | 97.3 | Very high | 97.4 | Very high | 7 Ų | 7 | 30.5 Ų | 30.5 | 7% | 0.072 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 167.9 | 169.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | H223 A237 E267 | H223-G235 PolarHBondContact ND1-N 2.96Å; G235-A237 PolarHBondContact O-N 3.18Å; G235-E267 WeakPolarHBondContact CA-OE1 3.47Å |
| 236 | I | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -76.9 | 121.7 | 178.2 | -58.1 | 172.2 | 0 | 0 | 0 | 109 | V238 R263 L266 E267 L270 W275 I278 | I236-V238 HydrophobicContact CB-CG2 4.49Å; I236-V238 HydrophobicContact CG2-CG2 3.96Å; I236-V238 PolarHBondContact O-N 3.47Å; I236-V238 VanDerWaalsContact O-N 3.13Å; I236-R263 HydrophobicContact CB-CG 4.27Å; I236-R263 VanDerWaalsContact O-CD 3.28Å; I236-R263 WeakPolarHBondContact O-CD 3.29Å; I236-R263 VanDerWaalsContact O-CG 3.27Å; I236-R263 WeakPolarHBondContact O-CG 3.35Å; I236-L266 HydrophobicContact CD1-CB 3.58Å; I236-L266 HydrophobicContact CD1-CD1 4.49Å; I236-L266 HydrophobicContact CG2-CD1 4.42Å; I236-E267 HydrophobicContact CB-CG 4.39Å; I236-E267 HydrophobicContact CD1-CG 3.72Å; I236-E267 HydrophobicContact CG1-CG 3.83Å; I236-E267 PolarHBondContact N-OE1 2.79Å; I236-L270 HydrophobicContact CD1-CD2 3.88Å; I236-W275 HydrophobicContact CD1-CD2 4.21Å; I236-W275 HydrophobicContact CD1-CG 3.97Å; I236-W275 HydrophobicContact CG1-CB 3.81Å; I236-W275 HydrophobicContact CG1-CD2 3.71Å; I236-W275 HydrophobicContact CG1-CE3 4.23Å; I236-W275 HydrophobicContact CG1-CG 3.5Å; I236-W275 VanDerWaalsContact CG1-CG 3.5Å; I236-I278 HydrophobicContact CG2-CB 4.4Å; I236-I278 HydrophobicContact CG2-CG2 4.04Å | ||
| 237 | A | 96.9 | Very high | 97.4 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 4% | 0.041 | 20% | 0.195 | C | C | . | . | trans | -73.6 | 104.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | K220 H223 L224 G235 N279 | K220-A237 HydrophobicContact CG-CB 4.25Å; H223-A237 HydrophobicContact CB-CB 4.29Å; L224-A237 HydrophobicContact CD1-CB 4.48Å; L224-A237 HydrophobicContact CD2-CB 3.47Å; L224-A237 VanDerWaalsContact CD2-CB 3.47Å; L224-A237 HydrophobicContact CG-CB 3.57Å; G235-A237 PolarHBondContact O-N 3.18Å; A237-N279 HydrophobicContact CB-CB 4.02Å; A237-N279 WeakPolarHBondContact O-CB 3.4Å; A237-N279 PolarHBondContact O-ND2 3.16Å | ||
| 238 | V | 97.6 | Very high | 97.4 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | trans | -101.7 | 117.1 | 179.2 | -177.1 | 0 | 0 | 0 | 0 | 111.1 | K220 I236 V242 H243 P259 T262 R263 L266 | K220-V238 WeakPolarHBondContact CB-O 3.27Å; K220-V238 WeakPolarHBondContact CG-O 3.44Å; I236-V238 HydrophobicContact CB-CG2 4.49Å; I236-V238 HydrophobicContact CG2-CG2 3.96Å; I236-V238 PolarHBondContact O-N 3.47Å; I236-V238 VanDerWaalsContact O-N 3.13Å; V238-V242 HydrophobicContact CB-CB 4.44Å; V238-V242 HydrophobicContact CB-CG1 4.24Å; V238-V242 HydrophobicContact CG1-CB 3.94Å; V238-V242 HydrophobicContact CG1-CG1 3.89Å; V238-V242 HydrophobicContact CG2-CG1 3.91Å; V238-H243 HydrophobicContact CG1-CB 3.93Å; V238-P259 HydrophobicContact CB-CB 4.27Å; V238-P259 WeakPolarHBondContact CB-O 3.37Å; V238-P259 HydrophobicContact CG1-CB 3.83Å; V238-P259 WeakPolarHBondContact CG1-O 3.41Å; V238-T262 HydrophobicContact CG1-CG2 4.17Å; V238-R263 HydrophobicContact CB-CB 4.37Å; V238-R263 HydrophobicContact CG2-CB 3.64Å; V238-R263 HydrophobicContact CG2-CG 4.23Å; V238-L266 HydrophobicContact CG2-CD1 4.45Å | ||
| 239 | D | 95.3 | Very high | 97.4 | Very high | 25 Ų | 25 | 31.9 Ų | 31.9 | 13% | 0.134 | 19% | 0.185 | C | C | . | . | trans | -110.7 | -167.8 | 167.1 | 63.1 | 22.2 | 0 | 0 | 0 | 111.9 | K220 H241 V242 H243 V283 | K220-D239 HydrophobicContact CD-CB 4.27Å; K220-D239 HydrophobicContact CG-CB 4.31Å; K220-D239 IonicContact NZ-OD2 3.44Å; D239-H241 PolarHBondContact O-N 3.37Å; D239-H241 WeakPolarHBondContact OD1-CA 3.4Å; D239-H241 WeakPolarHBondContact OD1-CB 3.13Å; D239-H241 IonicContact OD1-CD2 3.76Å; D239-H241 PolarHBondContact OD1-N 3.4Å; D239-V242 PolarHBondContact O-N 2.88Å; D239-V242 PolarHBondContact OD1-N 3.08Å; D239-V242 VanDerWaalsContact OD1-N 3.08Å; D239-H243 WeakPolarHBondContact O-CB 3.33Å; D239-H243 PolarHBondContact O-N 2.93Å; D239-V283 WeakPolarHBondContact OD2-CG2 3.5Å | ||
| 240 | T | 95.6 | Very high | 97.4 | Very high | 96 Ų | 96 | 39.3 Ų | 39.3 | 59% | 0.589 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -64.1 | -23.8 | -179.6 | 58.7 | 0 | 0 | 0 | 0 | 113.5 | R244 | T240-R244 WeakPolarHBondContact O-CB 3.5Å; T240-R244 PolarHBondContact O-N 3.31Å; T240-R244 PolarHBondContact O-NH1 2.88Å; T240-R244 VanDerWaalsContact O-NH1 3.1Å |
| 241 | H | 97.5 | Very high | 97.4 | Very high | 38 Ų | 38 | 35.7 Ų | 35.7 | 18% | 0.176 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -76 | -56.1 | 174.5 | -65.7 | -100 | 0 | 0 | 0 | 109.8 | D239 H243 R244 I245 V283 | D239-H241 PolarHBondContact O-N 3.37Å; D239-H241 WeakPolarHBondContact OD1-CA 3.4Å; D239-H241 WeakPolarHBondContact OD1-CB 3.13Å; D239-H241 IonicContact OD1-CD2 3.76Å; D239-H241 PolarHBondContact OD1-N 3.4Å; H241-H243 VanDerWaalsContact C-N 3.33Å; H241-H243 PolarHBondContact O-N 3.16Å; H241-R244 PolarHBondContact ND1-NH2 3.28Å; H241-R244 PolarHBondContact O-N 3.26Å; H241-I245 HydrophobicContact CB-CD1 4.38Å; H241-I245 WeakPolarHBondContact O-CB 3.34Å; H241-I245 WeakPolarHBondContact O-CD1 3.47Å; H241-I245 VanDerWaalsContact O-CG1 3.27Å; H241-I245 WeakPolarHBondContact O-CG1 3.16Å; H241-I245 PolarHBondContact O-N 3.46Å; H241-V283 HydrophobicContact CB-CG2 4.09Å |
| 242 | V | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57 | -48.7 | 179.5 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | V238 D239 R244 I245 A246 L266 I278 L282 | V238-V242 HydrophobicContact CB-CB 4.44Å; V238-V242 HydrophobicContact CB-CG1 4.24Å; V238-V242 HydrophobicContact CG1-CB 3.94Å; V238-V242 HydrophobicContact CG1-CG1 3.89Å; V238-V242 HydrophobicContact CG2-CG1 3.91Å; D239-V242 PolarHBondContact O-N 2.88Å; D239-V242 PolarHBondContact OD1-N 3.08Å; D239-V242 VanDerWaalsContact OD1-N 3.08Å; V242-R244 PolarHBondContact O-N 3.24Å; V242-I245 PolarHBondContact O-N 3.14Å; V242-A246 WeakPolarHBondContact O-CB 3.23Å; V242-A246 PolarHBondContact O-N 3.4Å; V242-L266 HydrophobicContact CG1-CD1 4.04Å; V242-I278 HydrophobicContact CG1-CG2 4.18Å; V242-L282 HydrophobicContact CB-CD1 4.48Å; V242-L282 HydrophobicContact CG1-CD1 4.11Å; V242-L282 HydrophobicContact CG2-CB 4.12Å; V242-L282 HydrophobicContact CG2-CD1 4.45Å |
| 243 | H | 98.4 | Very high | 97.2 | Very high | 39 Ų | 39 | 35.1 Ų | 35.1 | 18% | 0.181 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.7 | -51.9 | 177.7 | 177.7 | 66.7 | 0 | 0 | 0 | 112.2 | V238 D239 H241 N247 T256 S258 T262 | V238-H243 HydrophobicContact CG1-CB 3.93Å; D239-H243 WeakPolarHBondContact O-CB 3.33Å; D239-H243 PolarHBondContact O-N 2.93Å; H241-H243 VanDerWaalsContact C-N 3.33Å; H241-H243 PolarHBondContact O-N 3.16Å; H243-N247 PolarHBondContact CE1-ND2 3.42Å; H243-N247 PolarHBondContact ND1-ND2 2.91Å; H243-N247 PolarHBondContact O-N 3.28Å; H243-N247 PolarHBondContact O-ND2 3.15Å; H243-T256 PolarHBondContact CE1-O 3.39Å; H243-S258 PolarHBondContact ND1-O 3.4Å; H243-T262 PolarHBondContact CE1-OG1 2.95Å; H243-T262 PolarHBondContact ND1-OG1 3.21Å |
| 244 | R | 98.3 | Very high | 97.1 | Very high | 40 Ų | 40 | 41.2 Ų | 41.2 | 15% | 0.151 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.8 | -46.3 | -179.3 | 179.5 | -177.6 | 70.8 | -105.9 | 7.2 | 112 | T240 H241 V242 N247 R248 G286 C290 | T240-R244 WeakPolarHBondContact O-CB 3.5Å; T240-R244 PolarHBondContact O-N 3.31Å; T240-R244 PolarHBondContact O-NH1 2.88Å; T240-R244 VanDerWaalsContact O-NH1 3.1Å; H241-R244 PolarHBondContact ND1-NH2 3.28Å; H241-R244 PolarHBondContact O-N 3.26Å; V242-R244 PolarHBondContact O-N 3.24Å; R244-N247 PolarHBondContact O-N 2.63Å; R244-R248 WeakPolarHBondContact O-CG 3.34Å; R244-R248 PolarHBondContact O-N 3.44Å; R244-G286 PolarHBondContact NH2-O 3.45Å; R244-C290 PolarHBondContact NE-O 3.5Å; R244-C290 PolarHBondContact NH2-O 3.26Å |
| 245 | I | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.9 | -44.5 | -174.7 | -67.1 | 159.9 | 0 | 0 | 0 | 110.4 | H241 V242 N247 R248 L249 L282 F285 C290 | H241-I245 HydrophobicContact CB-CD1 4.38Å; H241-I245 WeakPolarHBondContact O-CB 3.34Å; H241-I245 WeakPolarHBondContact O-CD1 3.47Å; H241-I245 VanDerWaalsContact O-CG1 3.27Å; H241-I245 WeakPolarHBondContact O-CG1 3.16Å; H241-I245 PolarHBondContact O-N 3.46Å; V242-I245 PolarHBondContact O-N 3.14Å; I245-N247 VanDerWaalsContact C-N 3.3Å; I245-N247 PolarHBondContact O-N 2.75Å; I245-R248 PolarHBondContact O-N 3.24Å; I245-R248 VanDerWaalsContact O-N 3.14Å; I245-L249 HydrophobicContact CG2-CD1 3.64Å; I245-L249 HydrophobicContact CG2-CG 4.17Å; I245-L249 WeakPolarHBondContact O-CB 3.35Å; I245-L249 WeakPolarHBondContact O-CG 3.5Å; I245-L249 PolarHBondContact O-N 2.86Å; I245-L282 HydrophobicContact CD1-CB 4.1Å; I245-L282 WeakPolarHBondContact CD1-O 3.39Å; I245-L282 HydrophobicContact CG2-CD1 4.35Å; I245-L282 HydrophobicContact CG2-CD2 4.03Å; I245-F285 HydrophobicContact CD1-CD1 3.96Å; I245-F285 HydrophobicContact CG1-CD1 4.47Å; I245-F285 HydrophobicContact CG2-CD1 4.25Å; I245-F285 HydrophobicContact CG2-CE1 4.31Å; I245-C290 HydrophobicContact CD1-CB 4.33Å; I245-C290 HydrophobicContact CG1-CB 4.03Å |
| 246 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.2 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | V242 R250 W251 T262 L266 | V242-A246 WeakPolarHBondContact O-CB 3.23Å; V242-A246 PolarHBondContact O-N 3.4Å; A246-R250 PolarHBondContact O-N 3.25Å; A246-R250 VanDerWaalsContact O-N 3.08Å; A246-W251 HydrophobicContact CB-CB 4.1Å; A246-W251 PolarHBondContact O-N 3.21Å; A246-T262 HydrophobicContact CB-CG2 3.75Å; A246-L266 HydrophobicContact CB-CD1 4.38Å; A246-L266 HydrophobicContact CB-CD2 4.33Å |
| 247 | N | 98.1 | Very high | 97 | Very high | 38 Ų | 38 | 53.2 Ų | 53.2 | 20% | 0.203 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 175.8 | -79 | -76.6 | 0 | 0 | 0 | 112.8 | H243 R244 I245 R250 A255 T256 | H243-N247 PolarHBondContact CE1-ND2 3.42Å; H243-N247 PolarHBondContact ND1-ND2 2.91Å; H243-N247 PolarHBondContact O-N 3.28Å; H243-N247 PolarHBondContact O-ND2 3.15Å; R244-N247 PolarHBondContact O-N 2.63Å; I245-N247 VanDerWaalsContact C-N 3.3Å; I245-N247 PolarHBondContact O-N 2.75Å; N247-R250 PolarHBondContact O-N 3.46Å; N247-A255 WeakPolarHBondContact OD1-CA 3.35Å; N247-T256 PolarHBondContact ND2-OG1 3.48Å; N247-T256 PolarHBondContact OD1-N 3.32Å; N247-T256 PolarHBondContact OD1-OG1 2.92Å |
| 248 | R | 97.5 | Very high | 97 | Very high | 60 Ų | 60 | 54.6 Ų | 54.6 | 23% | 0.226 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.7 | -39 | 177.3 | -78.4 | 178.8 | 177 | 173.9 | -0.7 | 113 | R244 I245 R250 C290 L291 P292 A308 | R244-R248 WeakPolarHBondContact O-CG 3.34Å; R244-R248 PolarHBondContact O-N 3.44Å; I245-R248 PolarHBondContact O-N 3.24Å; I245-R248 VanDerWaalsContact O-N 3.14Å; R248-R250 PolarHBondContact O-N 2.87Å; R248-C290 PolarHBondContact NH1-SG 2.92Å; R248-L291 PolarHBondContact NH1-O 2.88Å; R248-L291 PolarHBondContact NH2-O 3.44Å; R248-P292 PolarHBondContact NH2-O 3.41Å; R248-A308 HydrophobicContact CB-CB 3.89Å; R248-A308 HydrophobicContact CG-CB 4.02Å |
| 249 | L | 97.3 | Very high | 97 | Very high | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -4.3 | 177.1 | -64.4 | 175.6 | 0 | 0 | 0 | 113 | I99 I245 W251 C306 | I99-L249 HydrophobicContact CD1-CD1 3.91Å; I245-L249 HydrophobicContact CG2-CD1 3.64Å; I245-L249 HydrophobicContact CG2-CG 4.17Å; I245-L249 WeakPolarHBondContact O-CB 3.35Å; I245-L249 WeakPolarHBondContact O-CG 3.5Å; I245-L249 PolarHBondContact O-N 2.86Å; L249-W251 VanDerWaalsContact C-N 3.27Å; L249-W251 HydrophobicContact CB-CD2 4.41Å; L249-W251 HydrophobicContact CB-CG 4.05Å; L249-W251 HydrophobicContact CD1-CD2 4.27Å; L249-W251 HydrophobicContact CD1-CH2 4.39Å; L249-W251 HydrophobicContact CD1-CZ2 3.75Å; L249-W251 PolarHBondContact O-N 3.01Å; L249-C306 HydrophobicContact CD2-CB 4.21Å |
| 250 | R | 96.8 | Very high | 97.1 | Very high | 165 Ų | 165 | 59.2 Ų | 59.2 | 62% | 0.623 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 39.9 | -172.2 | -59.1 | -172.8 | -179.6 | -174 | 2.3 | 113.2 | A246 N247 R248 T252 P307 | A246-R250 PolarHBondContact O-N 3.25Å; A246-R250 VanDerWaalsContact O-N 3.08Å; N247-R250 PolarHBondContact O-N 3.46Å; R248-R250 PolarHBondContact O-N 2.87Å; R250-T252 PolarHBondContact O-N 3Å; R250-T252 VanDerWaalsContact O-N 3.09Å; R250-P307 HydrophobicContact CB-CG 4.34Å; R250-P307 HydrophobicContact CG-CB 4.03Å; R250-P307 HydrophobicContact CG-CG 3.87Å |
| 251 | W | 97.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -71.9 | 7.3 | 171.5 | -74.8 | 10.4 | 0 | 0 | 0 | 114 | P89 Q95 L96 I99 A246 L249 L266 W269 I278 L282 | P89-W251 HydrophobicContact CG-CB 4.3Å; P89-W251 HydrophobicContact CG-CG 4.39Å; Q95-W251 HydrophobicContact CB-CZ2 4.34Å; L96-W251 HydrophobicContact CD1-CH2 4.24Å; I99-W251 HydrophobicContact CD1-CH2 4.32Å; I99-W251 HydrophobicContact CD1-CZ2 4.38Å; A246-W251 HydrophobicContact CB-CB 4.1Å; A246-W251 PolarHBondContact O-N 3.21Å; L249-W251 VanDerWaalsContact C-N 3.27Å; L249-W251 HydrophobicContact CB-CD2 4.41Å; L249-W251 HydrophobicContact CB-CG 4.05Å; L249-W251 HydrophobicContact CD1-CD2 4.27Å; L249-W251 HydrophobicContact CD1-CH2 4.39Å; L249-W251 HydrophobicContact CD1-CZ2 3.75Å; L249-W251 PolarHBondContact O-N 3.01Å; W251-L266 HydrophobicContact CB-CD2 3.83Å; W251-L266 HydrophobicContact CE3-CD2 4.15Å; W251-W269 HydrophobicContact CB-CZ2 3.98Å; W251-W269 HydrophobicContact CD2-CZ2 4.46Å; W251-W269 HydrophobicContact CG-CZ2 4.17Å; W251-W269 PolarHBondContact O-NE1 3.09Å; W251-I278 HydrophobicContact CZ3-CD1 4.21Å; W251-L282 HydrophobicContact CH2-CD2 4.41Å; W251-L282 HydrophobicContact CZ3-CD1 3.94Å; W251-L282 HydrophobicContact CZ3-CD2 4.43Å | ||
| 252 | T | 96.7 | Very high | 97.2 | Very high | 8 Ų | 8 | 57 Ų | 57 | 5% | 0.049 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -129.3 | 139.4 | 176.9 | 61.6 | 0 | 0 | 0 | 0 | 108.9 | W87 R250 K254 T256 T262 A265 | W87-T252 VanDerWaalsContact CH2-C 3.46Å; R250-T252 PolarHBondContact O-N 3Å; R250-T252 VanDerWaalsContact O-N 3.09Å; T252-K254 VanDerWaalsContact CB-O 3.28Å; T252-K254 WeakPolarHBondContact CB-O 3.26Å; T252-K254 PolarHBondContact O-N 2.98Å; T252-K254 VanDerWaalsContact O-N 3.12Å; T252-K254 PolarHBondContact OG1-O 3.41Å; T252-T256 HydrophobicContact CG2-CG2 4.07Å; T252-T262 HydrophobicContact CG2-CG2 4.2Å; T252-A265 HydrophobicContact CG2-CB 3.74Å |
| 253 | K | 93.6 | Very high | 97.2 | Very high | 115 Ų | 115 | 59.2 Ų | 59.2 | 50% | 0.5 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -51.9 | -37.4 | 179.5 | -70.9 | 171 | -177.3 | 153.3 | 0 | 112.8 | W87 E268 | W87-K253 VanDerWaalsContact CB-CE 3.44Å; W87-K253 HydrophobicContact CD2-CD 4.14Å; W87-K253 HydrophobicContact CD2-CG 3.37Å; W87-K253 HydrophobicContact CE3-CD 4.13Å; W87-K253 HydrophobicContact CE3-CG 3.35Å; W87-K253 HydrophobicContact CG-CD 4.35Å; W87-K253 HydrophobicContact CG-CG 4Å; W87-K253 HydrophobicContact CH2-CB 4.41Å; W87-K253 HydrophobicContact CH2-CG 3.92Å; W87-K253 VanDerWaalsContact CH2-N 3.29Å; W87-K253 HydrophobicContact CZ2-CB 4.42Å; W87-K253 HydrophobicContact CZ2-CG 3.93Å; W87-K253 HydrophobicContact CZ3-CB 4.48Å; W87-K253 HydrophobicContact CZ3-CG 3.64Å; K253-E268 IonicContact NZ-OE2 2.66Å; K253-E268 PolarHBondContact NZ-OE2 3.24Å |
| 254 | K | 94.6 | Very high | 97.1 | Very high | 173 Ų | 173 | 59.3 Ų | 59.3 | 75% | 0.752 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -132.6 | 154.6 | 176.4 | -62.6 | -179.5 | -177.2 | 177 | 0 | 108.4 | T252 T256 | T252-K254 VanDerWaalsContact CB-O 3.28Å; T252-K254 WeakPolarHBondContact CB-O 3.26Å; T252-K254 PolarHBondContact O-N 2.98Å; T252-K254 VanDerWaalsContact O-N 3.12Å; T252-K254 PolarHBondContact OG1-O 3.41Å; K254-T256 PolarHBondContact O-N 3.12Å |
| 255 | A | 95.8 | Very high | 97.1 | Very high | 88 Ų | 88 | 58.1 Ų | 58.1 | 73% | 0.727 | 29% | 0.29 | S | S | * | . | trans | -58.9 | 126.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | N247 | N247-A255 WeakPolarHBondContact OD1-CA 3.35Š| ||
| 256 | T | 97.6 | Very high | 97.1 | Very high | 22 Ų | 22 | 58.1 Ų | 58.1 | 14% | 0.135 | 29% | 0.289 | C | S | . | . | trans | -94.5 | 148.1 | -179.2 | 48.4 | 0 | 0 | 0 | 0 | 109.7 | H243 N247 T252 K254 E261 T262 A265 | H243-T256 PolarHBondContact CE1-O 3.39Å; N247-T256 PolarHBondContact ND2-OG1 3.48Å; N247-T256 PolarHBondContact OD1-N 3.32Å; N247-T256 PolarHBondContact OD1-OG1 2.92Å; T252-T256 HydrophobicContact CG2-CG2 4.07Å; K254-T256 PolarHBondContact O-N 3.12Å; T256-E261 HydrophobicContact CG2-CB 3.89Å; T256-T262 PolarHBondContact OG1-OG1 3.42Å; T256-A265 HydrophobicContact CG2-CB 4.31Å | ||
| 257 | K | 97 | Very high | 97 | Very high | 190 Ų | 190 | 60.3 Ų | 60.3 | 83% | 0.826 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -102.5 | -17.9 | -176.2 | -63.9 | -178.6 | -178.8 | 178.9 | 0 | 113.1 | E261 | K257-E261 PolarHBondContact N-OE2 3.16Š|
| 258 | S | 97.3 | Very high | 96.9 | Very high | 34 Ų | 34 | 63.8 Ų | 63.8 | 24% | 0.238 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -131.4 | 153.7 | -179.4 | 66.9 | 0 | 0 | 0 | 0 | 112 | H243 E260 E261 T262 | H243-S258 PolarHBondContact ND1-O 3.4Å; S258-E260 PolarHBondContact O-N 2.88Å; S258-E261 PolarHBondContact O-N 3.09Å; S258-E261 WeakPolarHBondContact OG-CB 3.3Å; S258-E261 VanDerWaalsContact OG-CG 3.23Å; S258-E261 WeakPolarHBondContact OG-CG 3.24Å; S258-E261 PolarHBondContact OG-N 2.83Å; S258-E261 PolarHBondContact OG-OE1 3.02Å; S258-T262 PolarHBondContact O-N 3.5Å; S258-T262 VanDerWaalsContact O-N 3.11Å; S258-T262 PolarHBondContact O-OG1 2.84Å |
| 259 | P | 96.9 | Very high | 96.9 | Very high | 54 Ų | 54 | 61.8 Ų | 61.8 | 35% | 0.351 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57 | -34.5 | 173.4 | -28.3 | 36.8 | 0 | 0 | 0 | 113.6 | V238 T262 R263 | V238-P259 HydrophobicContact CB-CB 4.27Å; V238-P259 WeakPolarHBondContact CB-O 3.37Å; V238-P259 HydrophobicContact CG1-CB 3.83Å; V238-P259 WeakPolarHBondContact CG1-O 3.41Å; P259-T262 PolarHBondContact O-N 3.5Å; P259-R263 PolarHBondContact O-N 3.08Å |
| 260 | E | 96.7 | Very high | 96.9 | Very high | 74 Ų | 74 | 61.7 Ų | 61.7 | 35% | 0.346 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.3 | -41.3 | 179.4 | -168.8 | 58.2 | -142.9 | 0 | 0 | 111.8 | P219 S258 T262 R263 A264 | P219-E260 WeakPolarHBondContact CB-OE2 3.35Å; S258-E260 PolarHBondContact O-N 2.88Å; E260-T262 VanDerWaalsContact C-N 3.31Å; E260-T262 PolarHBondContact O-N 2.77Å; E260-R263 WeakPolarHBondContact O-CB 3.36Å; E260-R263 PolarHBondContact O-N 2.87Å; E260-R263 IonicContact OE1-CZ 2.67Å; E260-R263 IonicContact OE1-NE 3.53Å; E260-R263 PolarHBondContact OE1-NE 3.38Å; E260-R263 IonicContact OE1-NH2 2.98Å; E260-R263 PolarHBondContact OE1-NH2 3.4Å; E260-R263 IonicContact OE2-NE 2.78Å; E260-A264 PolarHBondContact O-N 3.08Å |
| 261 | E | 97.8 | Very high | 96.9 | Very high | 89 Ų | 89 | 56.1 Ų | 56.1 | 42% | 0.416 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 171.1 | -76.2 | 161.3 | -135.9 | 0 | 0 | 111.7 | T256 K257 S258 A265 | T256-E261 HydrophobicContact CG2-CB 3.89Å; K257-E261 PolarHBondContact N-OE2 3.16Å; S258-E261 PolarHBondContact O-N 3.09Å; S258-E261 WeakPolarHBondContact OG-CB 3.3Å; S258-E261 VanDerWaalsContact OG-CG 3.23Å; S258-E261 WeakPolarHBondContact OG-CG 3.24Å; S258-E261 PolarHBondContact OG-N 2.83Å; S258-E261 PolarHBondContact OG-OE1 3.02Å; E261-A265 VanDerWaalsContact O-CB 3.29Å; E261-A265 WeakPolarHBondContact O-CB 3.24Å; E261-A265 PolarHBondContact O-N 3.26Å |
| 262 | T | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 175.2 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | V238 H243 A246 T252 T256 S258 P259 E260 A265 L266 | V238-T262 HydrophobicContact CG1-CG2 4.17Å; H243-T262 PolarHBondContact CE1-OG1 2.95Å; H243-T262 PolarHBondContact ND1-OG1 3.21Å; A246-T262 HydrophobicContact CB-CG2 3.75Å; T252-T262 HydrophobicContact CG2-CG2 4.2Å; T256-T262 PolarHBondContact OG1-OG1 3.42Å; S258-T262 PolarHBondContact O-N 3.5Å; S258-T262 VanDerWaalsContact O-N 3.11Å; S258-T262 PolarHBondContact O-OG1 2.84Å; P259-T262 PolarHBondContact O-N 3.5Å; E260-T262 VanDerWaalsContact C-N 3.31Å; E260-T262 PolarHBondContact O-N 2.77Å; T262-A265 PolarHBondContact O-N 2.87Å; T262-L266 HydrophobicContact CG2-CD1 3.87Å; T262-L266 HydrophobicContact CG2-CG 4.1Å; T262-L266 WeakPolarHBondContact O-CB 3.45Å; T262-L266 VanDerWaalsContact O-CG 3.29Å; T262-L266 WeakPolarHBondContact O-CG 3.48Å; T262-L266 PolarHBondContact O-N 3.27Å |
| 263 | R | 98.1 | Very high | 96.8 | Very high | 45 Ų | 45 | 69.9 Ų | 69.9 | 17% | 0.17 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.4 | -55.5 | 177.4 | -176.5 | -172.4 | 72.2 | 78.2 | 8.7 | 110.1 | I236 V238 P259 E260 A265 L266 E267 | I236-R263 HydrophobicContact CB-CG 4.27Å; I236-R263 VanDerWaalsContact O-CD 3.28Å; I236-R263 WeakPolarHBondContact O-CD 3.29Å; I236-R263 VanDerWaalsContact O-CG 3.27Å; I236-R263 WeakPolarHBondContact O-CG 3.35Å; V238-R263 HydrophobicContact CB-CB 4.37Å; V238-R263 HydrophobicContact CG2-CB 3.64Å; V238-R263 HydrophobicContact CG2-CG 4.23Å; P259-R263 PolarHBondContact O-N 3.08Å; E260-R263 WeakPolarHBondContact O-CB 3.36Å; E260-R263 PolarHBondContact O-N 2.87Å; E260-R263 IonicContact OE1-CZ 2.67Å; E260-R263 IonicContact OE1-NE 3.53Å; E260-R263 PolarHBondContact OE1-NE 3.38Å; E260-R263 IonicContact OE1-NH2 2.98Å; E260-R263 PolarHBondContact OE1-NH2 3.4Å; E260-R263 IonicContact OE2-NE 2.78Å; R263-A265 VanDerWaalsContact C-N 3.28Å; R263-A265 PolarHBondContact O-N 3.4Å; R263-L266 PolarHBondContact O-N 2.84Å; R263-L266 VanDerWaalsContact O-N 3.14Å; R263-E267 WeakPolarHBondContact CD-OE1 3.26Å; R263-E267 HydrophobicContact CG-CG 4.34Å; R263-E267 VanDerWaalsContact CG-OE1 3.24Å; R263-E267 WeakPolarHBondContact CG-OE1 3.2Å; R263-E267 IonicContact CZ-OE1 3.44Å; R263-E267 IonicContact CZ-OE2 3.16Å; R263-E267 IonicContact NH1-OE1 3.74Å; R263-E267 PolarHBondContact NH1-OE1 3.44Å; R263-E267 IonicContact NH1-OE2 3.7Å; R263-E267 PolarHBondContact NH1-OE2 3.38Å; R263-E267 WeakPolarHBondContact O-CG 3.35Å; R263-E267 PolarHBondContact O-N 3.16Å |
| 264 | A | 97.4 | Very high | 97 | Very high | 42 Ų | 42 | 65.8 Ų | 65.8 | 35% | 0.347 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56 | -45.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E260 L266 E267 E268 | E260-A264 PolarHBondContact O-N 3.08Å; A264-L266 PolarHBondContact O-N 2.88Å; A264-E267 PolarHBondContact O-N 3.01Å; A264-E268 WeakPolarHBondContact O-CG 3.46Å; A264-E268 PolarHBondContact O-N 3.12Å; A264-E268 VanDerWaalsContact O-N 3.12Å |
| 265 | A | 97.5 | Very high | 97.1 | Very high | 15 Ų | 15 | 59 Ų | 59 | 12% | 0.124 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.2 | -33.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T252 T256 E261 T262 R263 W269 | T252-A265 HydrophobicContact CG2-CB 3.74Å; T256-A265 HydrophobicContact CG2-CB 4.31Å; E261-A265 VanDerWaalsContact O-CB 3.29Å; E261-A265 WeakPolarHBondContact O-CB 3.24Å; E261-A265 PolarHBondContact O-N 3.26Å; T262-A265 PolarHBondContact O-N 2.87Å; R263-A265 VanDerWaalsContact C-N 3.28Å; R263-A265 PolarHBondContact O-N 3.4Å; A265-W269 PolarHBondContact O-NE1 2.69Å |
| 266 | L | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -75 | -42.5 | 175.5 | -71.1 | 175.1 | 0 | 0 | 0 | 111.3 | I236 V238 V242 A246 W251 T262 R263 A264 E268 W269 L270 | I236-L266 HydrophobicContact CD1-CB 3.58Å; I236-L266 HydrophobicContact CD1-CD1 4.49Å; I236-L266 HydrophobicContact CG2-CD1 4.42Å; V238-L266 HydrophobicContact CG2-CD1 4.45Å; V242-L266 HydrophobicContact CG1-CD1 4.04Å; A246-L266 HydrophobicContact CB-CD1 4.38Å; A246-L266 HydrophobicContact CB-CD2 4.33Å; W251-L266 HydrophobicContact CB-CD2 3.83Å; W251-L266 HydrophobicContact CE3-CD2 4.15Å; T262-L266 HydrophobicContact CG2-CD1 3.87Å; T262-L266 HydrophobicContact CG2-CG 4.1Å; T262-L266 WeakPolarHBondContact O-CB 3.45Å; T262-L266 VanDerWaalsContact O-CG 3.29Å; T262-L266 WeakPolarHBondContact O-CG 3.48Å; T262-L266 PolarHBondContact O-N 3.27Å; R263-L266 PolarHBondContact O-N 2.84Å; R263-L266 VanDerWaalsContact O-N 3.14Å; A264-L266 PolarHBondContact O-N 2.88Å; L266-E268 PolarHBondContact O-N 3.1Å; L266-W269 HydrophobicContact CD2-CZ2 3.91Å; L266-W269 PolarHBondContact O-N 3.27Å; L266-L270 WeakPolarHBondContact O-CB 3.07Å; L266-L270 PolarHBondContact O-N 3.15Å |
| 267 | E | 97.3 | Very high | 97 | Very high | 46 Ų | 46 | 61.8 Ų | 61.8 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.6 | -21.5 | -179.9 | -69.9 | -178.3 | -172.6 | 0 | 0 | 113.2 | G235 I236 R263 A264 W269 W275 | G235-E267 WeakPolarHBondContact CA-OE1 3.47Å; I236-E267 HydrophobicContact CB-CG 4.39Å; I236-E267 HydrophobicContact CD1-CG 3.72Å; I236-E267 HydrophobicContact CG1-CG 3.83Å; I236-E267 PolarHBondContact N-OE1 2.79Å; R263-E267 WeakPolarHBondContact CD-OE1 3.26Å; R263-E267 HydrophobicContact CG-CG 4.34Å; R263-E267 VanDerWaalsContact CG-OE1 3.24Å; R263-E267 WeakPolarHBondContact CG-OE1 3.2Å; R263-E267 IonicContact CZ-OE1 3.44Å; R263-E267 IonicContact CZ-OE2 3.16Å; R263-E267 IonicContact NH1-OE1 3.74Å; R263-E267 PolarHBondContact NH1-OE1 3.44Å; R263-E267 IonicContact NH1-OE2 3.7Å; R263-E267 PolarHBondContact NH1-OE2 3.38Å; R263-E267 WeakPolarHBondContact O-CG 3.35Å; R263-E267 PolarHBondContact O-N 3.16Å; A264-E267 PolarHBondContact O-N 3.01Å; E267-W269 PolarHBondContact O-N 3.12Å; E267-W275 HydrophobicContact CB-CH2 3.72Å; E267-W275 HydrophobicContact CB-CZ2 3.56Å; E267-W275 HydrophobicContact CG-CD2 4.3Å; E267-W275 HydrophobicContact CG-CE3 4.28Å; E267-W275 HydrophobicContact CG-CH2 3.51Å; E267-W275 HydrophobicContact CG-CZ2 3.53Å; E267-W275 HydrophobicContact CG-CZ3 3.9Å |
| 268 | E | 96.3 | Very high | 97 | Very high | 111 Ų | 111 | 52.8 Ų | 52.8 | 52% | 0.519 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -27.1 | 173.9 | -84 | 178.6 | -153.1 | 0 | 0 | 113.7 | V86 K253 A264 L266 | V86-E268 WeakPolarHBondContact CG1-O 3.43Å; K253-E268 IonicContact NZ-OE2 2.66Å; K253-E268 PolarHBondContact NZ-OE2 3.24Å; A264-E268 WeakPolarHBondContact O-CG 3.46Å; A264-E268 PolarHBondContact O-N 3.12Å; A264-E268 VanDerWaalsContact O-N 3.12Å; L266-E268 PolarHBondContact O-N 3.1Å |
| 269 | W | 96.4 | Very high | 97 | Very high | 19 Ų | 19 | 52 Ų | 52 | 7% | 0.072 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -139.1 | -28.2 | -170.4 | 70.4 | -95.5 | 0 | 0 | 0 | 115.5 | V86 W87 E88 P89 W92 W251 A265 L266 E267 P271 | V86-W269 HydrophobicContact CG1-CB 3.7Å; W87-W269 AromaticContact CE3-CD1 3.97Å; W87-W269 HydrophobicContact CE3-CG 4.35Å; W87-W269 AromaticContact CZ3-CD1 3.74Å; W87-W269 HydrophobicContact CZ3-CG 4.38Å; W87-W269 AromaticContact CZ3-NE1 3.81Å; W87-W269 WeakPolarHBondContact O-CB 3.31Å; E88-W269 HydrophobicContact CB-CE3 4.03Å; P89-W269 VanDerWaalsContact CD-CD2 3.48Å; P89-W269 VanDerWaalsContact CD-CE2 3.46Å; P89-W269 HydrophobicContact CG-CD2 4.2Å; P89-W269 HydrophobicContact CG-CE3 4.45Å; P89-W269 HydrophobicContact CG-CH2 3.72Å; P89-W269 HydrophobicContact CG-CZ2 3.39Å; P89-W269 HydrophobicContact CG-CZ3 4.24Å; W92-W269 HydrophobicContact CB-CH2 4Å; W92-W269 HydrophobicContact CB-CZ3 4.18Å; W92-W269 AromaticContact CD1-CZ3 3.97Å; W92-W269 HydrophobicContact CD2-CH2 4.04Å; W92-W269 AromaticContact CD2-CZ3 3.49Å; W92-W269 HydrophobicContact CD2-CZ3 3.49Å; W92-W269 VanDerWaalsContact CD2-CZ3 3.49Å; W92-W269 AromaticContact CE2-CZ3 3.76Å; W92-W269 HydrophobicContact CE3-CH2 4.2Å; W92-W269 AromaticContact CE3-CZ3 3.87Å; W92-W269 HydrophobicContact CE3-CZ3 3.87Å; W92-W269 AromaticContact CG-CH2 3.97Å; W92-W269 HydrophobicContact CG-CH2 3.97Å; W92-W269 AromaticContact CG-CZ3 3.64Å; W92-W269 HydrophobicContact CG-CZ3 3.64Å; W92-W269 HydrophobicContact CZ2-CZ3 4.36Å; W92-W269 HydrophobicContact CZ3-CZ3 4.46Å; W251-W269 HydrophobicContact CB-CZ2 3.98Å; W251-W269 HydrophobicContact CD2-CZ2 4.46Å; W251-W269 HydrophobicContact CG-CZ2 4.17Å; W251-W269 PolarHBondContact O-NE1 3.09Å; A265-W269 PolarHBondContact O-NE1 2.69Å; L266-W269 HydrophobicContact CD2-CZ2 3.91Å; L266-W269 PolarHBondContact O-N 3.27Å; E267-W269 PolarHBondContact O-N 3.12Å; W269-P271 WeakPolarHBondContact O-CD 3.16Å |
| 270 | L | 97 | Very high | 97 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -70.6 | 128.3 | -177 | -174.2 | 76 | 0 | 0 | 0 | 109.8 | W92 I236 L266 R272 L274 W275 I278 | W92-L270 HydrophobicContact CE3-CD1 4.38Å; W92-L270 HydrophobicContact CZ3-CD1 4.11Å; I236-L270 HydrophobicContact CD1-CD2 3.88Å; L266-L270 WeakPolarHBondContact O-CB 3.07Å; L266-L270 PolarHBondContact O-N 3.15Å; L270-R272 PolarHBondContact O-N 3.4Å; L270-L274 HydrophobicContact CD1-CB 4.45Å; L270-L274 HydrophobicContact CD1-CD1 3.88Å; L270-L274 HydrophobicContact CD2-CB 4.2Å; L270-L274 HydrophobicContact CG-CB 4.23Å; L270-L274 HydrophobicContact CG-CD1 4.39Å; L270-W275 PolarHBondContact O-NE1 2.88Å; L270-I278 HydrophobicContact CD2-CD1 3.8Å; L270-I278 HydrophobicContact CD2-CG1 3.45Å; L270-I278 VanDerWaalsContact CD2-CG1 3.45Å |
| 271 | P | 97.1 | Very high | 97 | Very high | 47 Ų | 47 | 48.4 Ų | 48.4 | 31% | 0.305 | 24% | 0.239 | S | C | . | . | trans | -51.9 | 134.5 | 176.5 | -27.7 | 34 | 0 | 0 | 0 | 112.5 | W92 W269 E273 L274 | W92-P271 HydrophobicContact CH2-CG 4.01Å; W92-P271 HydrophobicContact CZ2-CG 4.35Å; W269-P271 WeakPolarHBondContact O-CD 3.16Å; P271-E273 WeakPolarHBondContact CB-OE2 3.38Å; P271-E273 PolarHBondContact O-N 2.72Å; P271-L274 HydrophobicContact CB-CD1 4.26Å; P271-L274 HydrophobicContact CB-CG 4.25Å; P271-L274 HydrophobicContact CG-CD1 4.22Å; P271-L274 WeakPolarHBondContact O-CB 3.49Å; P271-L274 PolarHBondContact O-N 2.91Å | ||
| 272 | R | 95.8 | Very high | 97.1 | Very high | 158 Ų | 158 | 44.1 Ų | 44.1 | 60% | 0.596 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -61.6 | -30.1 | -170.5 | -170 | 172.5 | -179.6 | -144 | -3.6 | 112.8 | V233 L270 L274 W275 | V233-R272 PolarHBondContact O-NH2 3.18Å; L270-R272 PolarHBondContact O-N 3.4Å; R272-L274 PolarHBondContact O-N 3.47Å; R272-W275 HydrophobicContact CG-CD2 4.1Å; R272-W275 HydrophobicContact CG-CE3 4.23Å; R272-W275 WeakPolarHBondContact O-CB 3.27Å; R272-W275 PolarHBondContact O-N 2.79Å; R272-W275 VanDerWaalsContact O-N 3.13Å |
| 273 | E | 96.7 | Very high | 97.1 | Very high | 140 Ų | 140 | 44.5 Ų | 44.5 | 65% | 0.654 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -61.3 | -28.4 | 178.4 | -57 | 69.3 | -146.3 | 0 | 0 | 111.2 | P271 H276 | P271-E273 WeakPolarHBondContact CB-OE2 3.38Å; P271-E273 PolarHBondContact O-N 2.72Å; E273-H276 PolarHBondContact O-CE1 3.28Å; E273-H276 PolarHBondContact O-ND1 3.5Å |
| 274 | L | 97 | Very high | 97.1 | Very high | 28 Ų | 28 | 42.4 Ų | 42.4 | 15% | 0.147 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -83.9 | -17.4 | -179.4 | -54.7 | -178.1 | 0 | 0 | 0 | 112.8 | W92 L96 R100 L270 P271 R272 H276 E277 I278 | W92-L274 HydrophobicContact CH2-CD1 3.93Å; W92-L274 HydrophobicContact CZ3-CD1 3.74Å; L96-L274 HydrophobicContact CD2-CD1 3.87Å; R100-L274 VanDerWaalsContact NH2-CD2 3.32Å; L270-L274 HydrophobicContact CD1-CB 4.45Å; L270-L274 HydrophobicContact CD1-CD1 3.88Å; L270-L274 HydrophobicContact CD2-CB 4.2Å; L270-L274 HydrophobicContact CG-CB 4.23Å; L270-L274 HydrophobicContact CG-CD1 4.39Å; P271-L274 HydrophobicContact CB-CD1 4.26Å; P271-L274 HydrophobicContact CB-CG 4.25Å; P271-L274 HydrophobicContact CG-CD1 4.22Å; P271-L274 WeakPolarHBondContact O-CB 3.49Å; P271-L274 PolarHBondContact O-N 2.91Å; R272-L274 PolarHBondContact O-N 3.47Å; L274-H276 PolarHBondContact O-N 2.7Å; L274-E277 HydrophobicContact CB-CG 4.4Å; L274-E277 WeakPolarHBondContact O-CG 3.44Å; L274-E277 PolarHBondContact O-N 3.43Å; L274-I278 WeakPolarHBondContact O-CG1 3.33Å; L274-I278 PolarHBondContact O-N 3.46Å |
| 275 | W | 97.6 | Very high | 97.1 | Very high | 32 Ų | 32 | 40.6 Ų | 40.6 | 12% | 0.121 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.5 | -33.1 | -170.1 | -70.4 | 15.1 | 0 | 0 | 0 | 113.6 | V233 I236 E267 L270 R272 | V233-W275 HydrophobicContact CG1-CB 3.76Å; V233-W275 HydrophobicContact CG1-CE3 4.35Å; I236-W275 HydrophobicContact CD1-CD2 4.21Å; I236-W275 HydrophobicContact CD1-CG 3.97Å; I236-W275 HydrophobicContact CG1-CB 3.81Å; I236-W275 HydrophobicContact CG1-CD2 3.71Å; I236-W275 HydrophobicContact CG1-CE3 4.23Å; I236-W275 HydrophobicContact CG1-CG 3.5Å; I236-W275 VanDerWaalsContact CG1-CG 3.5Å; E267-W275 HydrophobicContact CB-CH2 3.72Å; E267-W275 HydrophobicContact CB-CZ2 3.56Å; E267-W275 HydrophobicContact CG-CD2 4.3Å; E267-W275 HydrophobicContact CG-CE3 4.28Å; E267-W275 HydrophobicContact CG-CH2 3.51Å; E267-W275 HydrophobicContact CG-CZ2 3.53Å; E267-W275 HydrophobicContact CG-CZ3 3.9Å; L270-W275 PolarHBondContact O-NE1 2.88Å; R272-W275 HydrophobicContact CG-CD2 4.1Å; R272-W275 HydrophobicContact CG-CE3 4.23Å; R272-W275 WeakPolarHBondContact O-CB 3.27Å; R272-W275 PolarHBondContact O-N 2.79Å; R272-W275 VanDerWaalsContact O-N 3.13Å |
| 276 | H | 94.6 | Very high | 97.2 | Very high | 125 Ų | 125 | 39.9 Ų | 39.9 | 58% | 0.579 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -67.6 | -38 | 179.1 | 82.5 | -80 | 0 | 0 | 0 | 112.7 | V233 E273 L274 | V233-H276 HydrophobicContact CG2-CB 3.84Å; E273-H276 PolarHBondContact O-CE1 3.28Å; E273-H276 PolarHBondContact O-ND1 3.5Å; L274-H276 PolarHBondContact O-N 2.7Å |
| 277 | E | 95.5 | Very high | 97.1 | Very high | 43 Ų | 43 | 42.3 Ų | 42.3 | 20% | 0.201 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -82.2 | -26.7 | -174.7 | 57.9 | 156.9 | -152.2 | 0 | 0 | 113 | R100 L274 N279 G280 L281 | R100-E277 IonicContact CZ-OE1 3.51Å; R100-E277 IonicContact CZ-OE2 2.77Å; R100-E277 IonicContact NE-OE1 3.66Å; R100-E277 IonicContact NE-OE2 2.71Å; R100-E277 PolarHBondContact NE-OE2 2.99Å; R100-E277 IonicContact NH2-OE1 2.9Å; R100-E277 PolarHBondContact NH2-OE1 3.35Å; R100-E277 IonicContact NH2-OE2 2.76Å; R100-E277 PolarHBondContact NH2-OE2 2.99Å; L274-E277 HydrophobicContact CB-CG 4.4Å; L274-E277 WeakPolarHBondContact O-CG 3.44Å; L274-E277 PolarHBondContact O-N 3.43Å; E277-N279 PolarHBondContact O-N 3.25Å; E277-G280 PolarHBondContact O-N 2.81Å; E277-L281 WeakPolarHBondContact O-CB 3.43Å; E277-L281 PolarHBondContact O-N 2.88Å |
| 278 | I | 97.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57 | -45.5 | -169 | -71.1 | -59.8 | 0 | 0 | 0 | 112.6 | L96 I236 V242 W251 L270 L274 L282 | L96-I278 HydrophobicContact CD1-CD1 4.35Å; I236-I278 HydrophobicContact CG2-CB 4.4Å; I236-I278 HydrophobicContact CG2-CG2 4.04Å; V242-I278 HydrophobicContact CG1-CG2 4.18Å; W251-I278 HydrophobicContact CZ3-CD1 4.21Å; L270-I278 HydrophobicContact CD2-CD1 3.8Å; L270-I278 HydrophobicContact CD2-CG1 3.45Å; L270-I278 VanDerWaalsContact CD2-CG1 3.45Å; L274-I278 WeakPolarHBondContact O-CG1 3.33Å; L274-I278 PolarHBondContact O-N 3.46Å; I278-L282 HydrophobicContact CG2-CD1 3.83Å; I278-L282 HydrophobicContact CG2-CG 4.26Å; I278-L282 VanDerWaalsContact O-CB 3.32Å; I278-L282 WeakPolarHBondContact O-CB 3.15Å; I278-L282 VanDerWaalsContact O-CG 3.31Å; I278-L282 WeakPolarHBondContact O-CG 3.28Å; I278-L282 PolarHBondContact O-N 3.27Å |
| 279 | N | 97.3 | Very high | 97.2 | Very high | 16 Ų | 16 | 37.9 Ų | 37.9 | 9% | 0.086 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.4 | -57.9 | -176 | -177.3 | -95.3 | 0 | 0 | 0 | 111.1 | A237 E277 L281 L282 V283 | A237-N279 HydrophobicContact CB-CB 4.02Å; A237-N279 WeakPolarHBondContact O-CB 3.4Å; A237-N279 PolarHBondContact O-ND2 3.16Å; E277-N279 PolarHBondContact O-N 3.25Å; N279-L281 VanDerWaalsContact C-N 3.3Å; N279-L281 PolarHBondContact O-N 3.14Å; N279-L282 PolarHBondContact O-N 2.75Å; N279-V283 VanDerWaalsContact O-CB 3.29Å; N279-V283 WeakPolarHBondContact O-CB 3.1Å; N279-V283 WeakPolarHBondContact O-CG2 3.3Å; N279-V283 PolarHBondContact O-N 2.83Å |
| 280 | G | 96.9 | Very high | 97.3 | Very high | 29 Ų | 29 | 37.7 Ų | 37.7 | 30% | 0.299 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.5 | -43 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E277 G284 | E277-G280 PolarHBondContact O-N 2.81Å; G280-G284 PolarHBondContact O-N 3.43Å; G280-G284 VanDerWaalsContact O-N 3.08Å |
| 281 | L | 98.3 | Very high | 97.3 | Very high | 24 Ų | 24 | 39.5 Ų | 39.5 | 13% | 0.126 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.2 | -52.3 | 179.7 | -175.2 | 67.7 | 0 | 0 | 0 | 112.1 | L96 I99 R100 R103 E277 N279 F285 | L96-L281 HydrophobicContact CD1-CD2 3.49Å; L96-L281 VanDerWaalsContact CD1-CD2 3.49Å; I99-L281 HydrophobicContact CG2-CD1 3.97Å; I99-L281 HydrophobicContact CG2-CD2 3.92Å; I99-L281 HydrophobicContact CG2-CG 3.68Å; R100-L281 HydrophobicContact CG-CD1 4.29Å; R100-L281 HydrophobicContact CG-CD2 3.92Å; R103-L281 HydrophobicContact CB-CD1 3.68Å; R103-L281 HydrophobicContact CG-CD1 3.98Å; E277-L281 WeakPolarHBondContact O-CB 3.43Å; E277-L281 PolarHBondContact O-N 2.88Å; N279-L281 VanDerWaalsContact C-N 3.3Å; N279-L281 PolarHBondContact O-N 3.14Å; L281-F285 WeakPolarHBondContact O-CB 3.43Å; L281-F285 PolarHBondContact O-N 3.11Å |
| 282 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -75.2 | -30 | -177 | -63.9 | -170.2 | 0 | 0 | 0 | 112.9 | I99 V242 I245 W251 I278 N279 G286 | I99-L282 HydrophobicContact CD1-CD2 3.88Å; I99-L282 HydrophobicContact CG2-CD2 4.27Å; V242-L282 HydrophobicContact CB-CD1 4.48Å; V242-L282 HydrophobicContact CG1-CD1 4.11Å; V242-L282 HydrophobicContact CG2-CB 4.12Å; V242-L282 HydrophobicContact CG2-CD1 4.45Å; I245-L282 HydrophobicContact CD1-CB 4.1Å; I245-L282 WeakPolarHBondContact CD1-O 3.39Å; I245-L282 HydrophobicContact CG2-CD1 4.35Å; I245-L282 HydrophobicContact CG2-CD2 4.03Å; W251-L282 HydrophobicContact CH2-CD2 4.41Å; W251-L282 HydrophobicContact CZ3-CD1 3.94Å; W251-L282 HydrophobicContact CZ3-CD2 4.43Å; I278-L282 HydrophobicContact CG2-CD1 3.83Å; I278-L282 HydrophobicContact CG2-CG 4.26Å; I278-L282 VanDerWaalsContact O-CB 3.32Å; I278-L282 WeakPolarHBondContact O-CB 3.15Å; I278-L282 VanDerWaalsContact O-CG 3.31Å; I278-L282 WeakPolarHBondContact O-CG 3.28Å; I278-L282 PolarHBondContact O-N 3.27Å; N279-L282 PolarHBondContact O-N 2.75Å; L282-G286 PolarHBondContact O-N 3.36Å |
| 283 | V | 97.9 | Very high | 97.3 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.8 | -53.7 | 171.7 | 171.2 | 0 | 0 | 0 | 0 | 109.6 | V110 D239 H241 N279 F285 G286 Q287 | V110-V283 HydrophobicContact CB-CG1 3.77Å; V110-V283 HydrophobicContact CG1-CB 4.34Å; V110-V283 HydrophobicContact CG1-CG1 3.97Å; V110-V283 HydrophobicContact CG2-CB 4.31Å; V110-V283 HydrophobicContact CG2-CG1 3.8Å; D239-V283 WeakPolarHBondContact OD2-CG2 3.5Å; H241-V283 HydrophobicContact CB-CG2 4.09Å; N279-V283 VanDerWaalsContact O-CB 3.29Å; N279-V283 WeakPolarHBondContact O-CB 3.1Å; N279-V283 WeakPolarHBondContact O-CG2 3.3Å; N279-V283 PolarHBondContact O-N 2.83Å; V283-F285 PolarHBondContact O-N 3.31Å; V283-G286 CarbonylContact O-C 3.43Å; V283-G286 PolarHBondContact O-N 3.08Å; V283-G286 VanDerWaalsContact O-N 3.09Å; V283-Q287 HydrophobicContact CG1-CG 4.38Å; V283-Q287 VanDerWaalsContact O-CG 3.31Å; V283-Q287 WeakPolarHBondContact O-CG 3.12Å; V283-Q287 PolarHBondContact O-N 3.23Å |
| 284 | G | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.5 | -42.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | G280 G286 Q287 Q288 | G280-G284 PolarHBondContact O-N 3.43Å; G280-G284 VanDerWaalsContact O-N 3.08Å; G284-G286 VanDerWaalsContact C-N 3.3Å; G284-G286 PolarHBondContact O-N 2.92Å; G284-Q287 WeakPolarHBondContact O-CB 3.36Å; G284-Q287 PolarHBondContact O-N 2.8Å; G284-Q287 VanDerWaalsContact O-N 3.11Å; G284-Q288 PolarHBondContact O-N 3.5Å; G284-Q288 VanDerWaalsContact O-N 3.14Å |
| 285 | F | 98.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.2 | -39.6 | 173.9 | -179.7 | -118.8 | 0 | 0 | 0 | 112.6 | I99 M102 R103 I245 L281 V283 Q287 T289 C290 | I99-F285 HydrophobicContact CD1-CD1 4.31Å; I99-F285 HydrophobicContact CD1-CE1 4.27Å; I99-F285 HydrophobicContact CG1-CD1 4.2Å; I99-F285 HydrophobicContact CG1-CD2 4.49Å; I99-F285 HydrophobicContact CG1-CE1 4.11Å; I99-F285 HydrophobicContact CG1-CE2 4.42Å; I99-F285 HydrophobicContact CG1-CG 4.39Å; I99-F285 HydrophobicContact CG1-CZ 4.24Å; I99-F285 HydrophobicContact CG2-CB 3.98Å; I99-F285 HydrophobicContact CG2-CD1 4.36Å; I99-F285 HydrophobicContact CG2-CD2 4.27Å; I99-F285 HydrophobicContact CG2-CG 3.96Å; M102-F285 HydrophobicContact CE-CD2 4.15Å; M102-F285 HydrophobicContact CE-CE2 3.34Å; M102-F285 HydrophobicContact CE-CZ 3.9Å; M102-F285 HydrophobicContact SD-CE2 3.89Å; R103-F285 HydrophobicContact CG-CB 4.18Å; I245-F285 HydrophobicContact CD1-CD1 3.96Å; I245-F285 HydrophobicContact CG1-CD1 4.47Å; I245-F285 HydrophobicContact CG2-CD1 4.25Å; I245-F285 HydrophobicContact CG2-CE1 4.31Å; L281-F285 WeakPolarHBondContact O-CB 3.43Å; L281-F285 PolarHBondContact O-N 3.11Å; V283-F285 PolarHBondContact O-N 3.31Å; F285-Q287 VanDerWaalsContact C-N 3.34Å; F285-T289 HydrophobicContact CD2-CG2 4.3Å; F285-T289 VanDerWaalsContact CE2-CB 3.45Å; F285-T289 HydrophobicContact CE2-CG2 3.51Å; F285-T289 HydrophobicContact CZ-CG2 4.04Å; F285-T289 WeakPolarHBondContact O-CA 3.49Å; F285-T289 PolarHBondContact O-N 3.14Å; F285-C290 HydrophobicContact CD1-CB 3.8Å; F285-C290 HydrophobicContact CE1-CB 3.41Å; F285-C290 VanDerWaalsContact CE1-CB 3.41Å; F285-C290 HydrophobicContact CZ-CB 3.9Å; F285-C290 PolarHBondContact O-N 3.37Å |
| 286 | G | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -74.6 | -19.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R244 L282 V283 G284 | R244-G286 PolarHBondContact NH2-O 3.45Å; L282-G286 PolarHBondContact O-N 3.36Å; V283-G286 CarbonylContact O-C 3.43Å; V283-G286 PolarHBondContact O-N 3.08Å; V283-G286 VanDerWaalsContact O-N 3.09Å; G284-G286 VanDerWaalsContact C-N 3.3Å; G284-G286 PolarHBondContact O-N 2.92Å |
| 287 | Q | 97.3 | Very high | 97.3 | Very high | 51 Ų | 51 | 44.5 Ų | 44.5 | 24% | 0.238 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -79.9 | -29.4 | 174.2 | -74.5 | 175.7 | -17.5 | 0 | 0 | 112.2 | D144 V283 G284 F285 L291 | D144-Q287 PolarHBondContact OD2-NE2 3.21Å; V283-Q287 HydrophobicContact CG1-CG 4.38Å; V283-Q287 VanDerWaalsContact O-CG 3.31Å; V283-Q287 WeakPolarHBondContact O-CG 3.12Å; V283-Q287 PolarHBondContact O-N 3.23Å; G284-Q287 WeakPolarHBondContact O-CB 3.36Å; G284-Q287 PolarHBondContact O-N 2.8Å; G284-Q287 VanDerWaalsContact O-N 3.11Å; F285-Q287 VanDerWaalsContact C-N 3.34Å; Q287-L291 VanDerWaalsContact O-CD2 3.3Å; Q287-L291 WeakPolarHBondContact O-CD2 3.4Å |
| 288 | Q | 97.6 | Very high | 97.2 | Very high | 41 Ų | 41 | 50.3 Ų | 50.3 | 19% | 0.192 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -110.7 | -37.3 | -172.5 | -65.2 | 175.7 | -37 | 0 | 0 | 114.6 | D107 A108 G284 R296 | D107-Q288 PolarHBondContact O-NE2 2.61Å; D107-Q288 PolarHBondContact OD1-NE2 2.9Å; A108-Q288 HydrophobicContact CB-CG 4.12Å; G284-Q288 PolarHBondContact O-N 3.5Å; G284-Q288 VanDerWaalsContact O-N 3.14Å; Q288-R296 WeakPolarHBondContact O-CD 3.35Å; Q288-R296 PolarHBondContact O-NH1 3.31Å |
| 289 | T | 98 | Very high | 97.1 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 14% | 0.135 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -61.1 | -168.4 | -53.9 | 0 | 0 | 0 | 0 | 112.1 | M102 F285 L291 R296 C300 | M102-T289 HydrophobicContact SD-CG2 4.35Å; F285-T289 HydrophobicContact CD2-CG2 4.3Å; F285-T289 VanDerWaalsContact CE2-CB 3.45Å; F285-T289 HydrophobicContact CE2-CG2 3.51Å; F285-T289 HydrophobicContact CZ-CG2 4.04Å; F285-T289 WeakPolarHBondContact O-CA 3.49Å; F285-T289 PolarHBondContact O-N 3.14Å; T289-L291 PolarHBondContact O-N 2.99Å; T289-R296 HydrophobicContact CG2-CB 4.42Å; T289-R296 PolarHBondContact O-N 3.06Å; T289-C300 HydrophobicContact CG2-CB 4.07Å |
| 290 | C | 98.1 | Very high | 97.1 | Very high | 16 Ų | 16 | 54.2 Ų | 54.2 | 11% | 0.108 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -86.3 | 59.2 | -177.5 | -164.6 | 0 | 0 | 0 | 0 | 111.7 | R244 I245 R248 F285 | R244-C290 PolarHBondContact NE-O 3.5Å; R244-C290 PolarHBondContact NH2-O 3.26Å; I245-C290 HydrophobicContact CD1-CB 4.33Å; I245-C290 HydrophobicContact CG1-CB 4.03Å; R248-C290 PolarHBondContact NH1-SG 2.92Å; F285-C290 HydrophobicContact CD1-CB 3.8Å; F285-C290 HydrophobicContact CE1-CB 3.41Å; F285-C290 VanDerWaalsContact CE1-CB 3.41Å; F285-C290 HydrophobicContact CZ-CB 3.9Å; F285-C290 PolarHBondContact O-N 3.37Å |
| 291 | L | 97.7 | Very high | 97.2 | Very high | 43 Ų | 43 | 57.5 Ų | 57.5 | 23% | 0.225 | 30% | 0.296 | C | S | . | . | trans | -59.6 | 151.2 | -177.2 | -58 | 178.6 | 0 | 0 | 0 | 111.9 | R248 Q287 T289 V293 R296 | R248-L291 PolarHBondContact NH1-O 2.88Å; R248-L291 PolarHBondContact NH2-O 3.44Å; Q287-L291 VanDerWaalsContact O-CD2 3.3Å; Q287-L291 WeakPolarHBondContact O-CD2 3.4Å; T289-L291 PolarHBondContact O-N 2.99Å; L291-V293 VanDerWaalsContact C-N 3.29Å; L291-V293 WeakPolarHBondContact CB-O 3.37Å; L291-V293 PolarHBondContact O-N 3.01Å; L291-R296 HydrophobicContact CD1-CG 4.45Å | ||
| 292 | P | 95.9 | Very high | 97.1 | Very high | 83 Ų | 83 | 56.4 Ų | 56.4 | 54% | 0.539 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -59.7 | -41.6 | 177.8 | 23.3 | -32.9 | 0 | 0 | 0 | 111.9 | R248 | R248-P292 PolarHBondContact NH2-O 3.41Š|
| 293 | V | 95.6 | Very high | 97 | Very high | 110 Ų | 110 | 59.9 Ų | 59.9 | 67% | 0.667 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -116.1 | 134 | 177.5 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | L291 | L291-V293 VanDerWaalsContact C-N 3.29Å; L291-V293 WeakPolarHBondContact CB-O 3.37Å; L291-V293 PolarHBondContact O-N 3.01Å |
| 294 | R | 94.6 | Very high | 96.9 | Very high | 225 Ų | 225 | 63.7 Ų | 63.7 | 85% | 0.849 | 34% | 0.339 | S | S | * | . | S | Bend | trans | 47.5 | 64.3 | -179 | -63.6 | 178.6 | -172.9 | 171.7 | 1.6 | 112.5 | ||
| 295 | P | 97.2 | Very high | 96.8 | Very high | 41 Ų | 41 | 66 Ų | 66 | 27% | 0.266 | 35% | 0.351 | S | S | . | . | trans | -56.9 | 148.5 | 174.3 | 26.9 | -34.9 | 0 | 0 | 0 | 110.8 | C297 | P295-C297 PolarHBondContact O-N 3.24Š| ||
| 296 | R | 96.9 | Very high | 96.6 | Very high | 156 Ų | 156 | 66.6 Ų | 66.6 | 59% | 0.589 | 36% | 0.356 | S | S | * | . | trans | -80.3 | 56.1 | -177.8 | -62.1 | -178.2 | 176.2 | 170.9 | -7.1 | 111.5 | Q288 T289 L291 Q298 A299 C300 | Q288-R296 WeakPolarHBondContact O-CD 3.35Å; Q288-R296 PolarHBondContact O-NH1 3.31Å; T289-R296 HydrophobicContact CG2-CB 4.42Å; T289-R296 PolarHBondContact O-N 3.06Å; L291-R296 HydrophobicContact CD1-CG 4.45Å; R296-Q298 VanDerWaalsContact C-N 3.3Å; R296-Q298 PolarHBondContact O-N 3.33Å; R296-A299 PolarHBondContact O-N 3.23Å; R296-C300 PolarHBondContact O-N 3.48Å | ||
| 297 | C | 96.9 | Very high | 96.4 | Very high | 20 Ų | 20 | 68 Ų | 68 | 14% | 0.135 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -59.6 | -36.8 | -172.7 | -66.3 | 0 | 0 | 0 | 0 | 113.3 | P295 A299 C300 A309 L312 | P295-C297 PolarHBondContact O-N 3.24Å; C297-A299 PolarHBondContact O-N 2.78Å; C297-C300 VanDerWaalsContact O-CB 3.27Å; C297-C300 WeakPolarHBondContact O-CB 3.27Å; C297-C300 PolarHBondContact O-N 3.06Å; C297-A309 HydrophobicContact CB-CB 4.25Å; C297-L312 HydrophobicContact CB-CD1 3.85Å |
| 298 | Q | 94.6 | Very high | 96.2 | Very high | 166 Ų | 166 | 68.2 Ų | 68.2 | 78% | 0.776 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -62.6 | -29 | -179.5 | -67.1 | 174.5 | -6.4 | 0 | 0 | 113.6 | R296 | R296-Q298 VanDerWaalsContact C-N 3.3Å; R296-Q298 PolarHBondContact O-N 3.33Å |
| 299 | A | 94.4 | Very high | 95.8 | Very high | 81 Ų | 81 | 66.5 Ų | 66.5 | 67% | 0.669 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -100.4 | 5.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R296 C297 | R296-A299 PolarHBondContact O-N 3.23Å; C297-A299 PolarHBondContact O-N 2.78Å |
| 300 | C | 97.7 | Very high | 94.9 | Very high | 17 Ų | 17 | 72 Ų | 72 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | trans | -88.3 | 124.7 | -176.3 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | T289 R296 C297 N302 Q303 | T289-C300 HydrophobicContact CG2-CB 4.07Å; R296-C300 PolarHBondContact O-N 3.48Å; C297-C300 VanDerWaalsContact O-CB 3.27Å; C297-C300 WeakPolarHBondContact O-CB 3.27Å; C297-C300 PolarHBondContact O-N 3.06Å; C300-N302 PolarHBondContact O-N 2.91Å; C300-Q303 WeakPolarHBondContact O-CB 3.45Å; C300-Q303 PolarHBondContact O-N 3.11Å | ||
| 301 | L | 97.9 | Very high | 93.4 | Very high | 98 Ų | 98 | 75.5 Ų | 75.5 | 51% | 0.513 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -17.5 | 176.1 | -62.2 | -176.3 | 0 | 0 | 0 | 113.3 | N98 A101 M102 | N98-L301 HydrophobicContact CB-CB 3.81Å; N98-L301 PolarHBondContact ND2-O 3.4Å; N98-L301 VanDerWaalsContact ND2-O 3.16Å; A101-L301 HydrophobicContact CB-CD1 4.01Å; M102-L301 HydrophobicContact CE-CB 4.12Å; M102-L301 HydrophobicContact CG-CB 4.32Å; M102-L301 HydrophobicContact CG-CD1 3.8Å; M102-L301 HydrophobicContact CG-CG 3.78Å; M102-L301 HydrophobicContact SD-CB 4.12Å; M102-L301 HydrophobicContact SD-CG 4.06Å; M102-L301 PolarHBondContact SD-N 3.31Å; M102-L301 VanDerWaalsContact SD-N 3.43Å |
| 302 | N | 97.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 80.6 Ų | 80.6 | 1% | 0.005 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 7.1 | 174.5 | -73.6 | -30.7 | 0 | 0 | 0 | 114.4 | Q95 N98 I99 C300 A304 L305 C306 | Q95-N302 VanDerWaalsContact CA-OD1 3.3Å; Q95-N302 WeakPolarHBondContact CA-OD1 2.99Å; Q95-N302 PolarHBondContact O-ND2 3.21Å; N98-N302 WeakPolarHBondContact CB-OD1 3.49Å; N98-N302 PolarHBondContact ND2-OD1 2.96Å; I99-N302 WeakPolarHBondContact CG1-ND2 3.39Å; C300-N302 PolarHBondContact O-N 2.91Å; N302-A304 VanDerWaalsContact C-N 3.32Å; N302-A304 PolarHBondContact O-N 3.44Å; N302-L305 CarbonylContact O-C 3.56Å; N302-L305 PolarHBondContact O-N 2.94Å; N302-C306 HydrophobicContact CB-CB 4.39Å; N302-C306 WeakPolarHBondContact O-CA 3.49Å; N302-C306 WeakPolarHBondContact O-CB 3.48Å; N302-C306 PolarHBondContact O-N 2.77Å |
| 303 | Q | 96.5 | Very high | 91.5 | Very high | 73 Ų | 73 | 80.5 Ų | 80.5 | 34% | 0.341 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -49.3 | -175.4 | -172.3 | -175.5 | 20.4 | 0 | 0 | 112.7 | C300 L305 A309 | C300-Q303 WeakPolarHBondContact O-CB 3.45Å; C300-Q303 PolarHBondContact O-N 3.11Å; Q303-L305 VanDerWaalsContact C-N 3.34Å; Q303-L305 PolarHBondContact O-N 2.97Å; Q303-A309 HydrophobicContact CG-CB 4.42Å |
| 304 | A | 95 | Very high | 91.3 | Very high | 89 Ų | 89 | 78.9 Ų | 78.9 | 74% | 0.736 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -28.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | N302 | N302-A304 VanDerWaalsContact C-N 3.32Å; N302-A304 PolarHBondContact O-N 3.44Å |
| 305 | L | 95.6 | Very high | 91.2 | Very high | 48 Ų | 48 | 70.8 Ų | 70.8 | 25% | 0.251 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -14.6 | -176 | -56.8 | 178 | 0 | 0 | 0 | 113.3 | D91 Q94 Q95 N302 Q303 P307 | D91-L305 HydrophobicContact CB-CD2 4.39Å; Q94-L305 HydrophobicContact CB-CD1 3.98Å; Q94-L305 HydrophobicContact CG-CD1 3.54Å; Q95-L305 HydrophobicContact CG-CB 4.08Å; Q95-L305 HydrophobicContact CG-CD1 4.35Å; Q95-L305 PolarHBondContact NE2-O 3.39Å; Q95-L305 VanDerWaalsContact NE2-O 3.08Å; N302-L305 CarbonylContact O-C 3.56Å; N302-L305 PolarHBondContact O-N 2.94Å; Q303-L305 VanDerWaalsContact C-N 3.34Å; Q303-L305 PolarHBondContact O-N 2.97Å; L305-P307 WeakPolarHBondContact O-CD 3.03Å |
| 306 | C | 96.3 | Very high | 90.8 | Very high | 16 Ų | 16 | 72.5 Ų | 72.5 | 11% | 0.108 | 43% | 0.428 | C | S | . | . | trans | -89.5 | 116.6 | -171.4 | 179 | 0 | 0 | 0 | 0 | 110.2 | L249 N302 A308 A309 Q310 | L249-C306 HydrophobicContact CD2-CB 4.21Å; N302-C306 HydrophobicContact CB-CB 4.39Å; N302-C306 WeakPolarHBondContact O-CA 3.49Å; N302-C306 WeakPolarHBondContact O-CB 3.48Å; N302-C306 PolarHBondContact O-N 2.77Å; C306-A308 PolarHBondContact O-N 3.35Å; C306-A308 VanDerWaalsContact O-N 3.11Å; C306-A309 HydrophobicContact CB-CB 3.95Å; C306-A309 PolarHBondContact O-N 3.4Å; C306-Q310 PolarHBondContact O-N 3.27Å | ||
| 307 | P | 93.1 | Very high | 90.4 | Very high | 32 Ų | 32 | 67.3 Ų | 67.3 | 21% | 0.208 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.5 | 179.4 | -25.2 | 36.3 | 0 | 0 | 0 | 113.6 | R250 L305 A309 | R250-P307 HydrophobicContact CB-CG 4.34Å; R250-P307 HydrophobicContact CG-CB 4.03Å; R250-P307 HydrophobicContact CG-CG 3.87Å; L305-P307 WeakPolarHBondContact O-CD 3.03Å; P307-A309 VanDerWaalsContact C-N 3.33Å |
| 308 | A | 92.9 | Very high | 90 | Very high | 55 Ų | 55 | 70.5 Ų | 70.5 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -6.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R248 C306 | R248-A308 HydrophobicContact CB-CB 3.89Å; R248-A308 HydrophobicContact CG-CB 4.02Å; C306-A308 PolarHBondContact O-N 3.35Å; C306-A308 VanDerWaalsContact O-N 3.11Å |
| 309 | A | 90.3 | Very high | 89.7 | Confident | 5 Ų | 5 | 63.6 Ų | 63.6 | 4% | 0.041 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | C297 Q303 C306 P307 G311 L312 | C297-A309 HydrophobicContact CB-CB 4.25Å; Q303-A309 HydrophobicContact CG-CB 4.42Å; C306-A309 HydrophobicContact CB-CB 3.95Å; C306-A309 PolarHBondContact O-N 3.4Å; P307-A309 VanDerWaalsContact C-N 3.33Å; A309-G311 PolarHBondContact O-N 3.32Å; A309-L312 HydrophobicContact CB-CD1 4.42Å; A309-L312 PolarHBondContact O-N 2.88Å |
| 310 | Q | 77.4 | Confident | 89.3 | Confident | 138 Ų | 138 | 62.3 Ų | 62.3 | 65% | 0.645 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 122.9 | 177.1 | -69.1 | 176.9 | -10.8 | 0 | 0 | 110.1 | C306 | C306-Q310 PolarHBondContact O-N 3.27Š|
| 311 | G | 66.4 | Low | 88.6 | Confident | 88 Ų | 88 | 66.1 Ų | 66.1 | 91% | 0.907 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | 11.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | A309 | A309-G311 PolarHBondContact O-N 3.32Š|
| 312 | L | 64.1 | Low | 87.7 | Confident | 150 Ų | 150 | 63.2 Ų | 63.2 | 79% | 0.785 | 41% | 0.408 | S | S | * | . | trans | -90.8 | 0 | 168.9 | -73.4 | 174.1 | 0 | 0 | 0 | 113 | C297 A309 | C297-L312 HydrophobicContact CB-CD1 3.85Å; A309-L312 HydrophobicContact CB-CD1 4.42Å; A309-L312 PolarHBondContact O-N 2.88Å |
Retrieved 312 of 312 residues in 93.9 ms
(Link to these results)