| 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 | 33.7 | Very low | 31.6 | Very low | 239 Ų | 239 | 157.8 Ų | 157.8 | 100% | 1.177 | 86% | 0.856 | S | S | * | * | 0 | 91 | 0 | -59.2 | -178.5 | -165.3 | 0 | 0 | 106.3 | |||||
| 2 | I | 32.7 | Very low | 31.1 | Very low | 149 Ų | 149 | 158.8 Ų | 158.8 | 76% | 0.764 | 86% | 0.859 | S | S | * | * | 71.7 | 104.5 | 77.2 | -66.8 | -179.2 | 0 | 0 | 0 | 113.2 | |||||
| 3 | F | 33.8 | Very low | 30.9 | Very low | 190 Ų | 190 | 161.2 Ų | 161.2 | 83% | 0.833 | 86% | 0.86 | S | S | * | * | trans | 61.8 | 149.4 | 144.9 | -69.6 | -104.5 | 0 | 0 | 0 | 120 | ||||
| 4 | G | 28.6 | Very low | 30.7 | Very low | 73 Ų | 73 | 163.6 Ų | 163.6 | 75% | 0.753 | 85% | 0.852 | S | S | * | * | cis | -170.5 | 176.1 | 19.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 5 | R | 38.8 | Very low | 30.3 | Very low | 214 Ų | 214 | 161.1 Ų | 161.1 | 81% | 0.808 | 85% | 0.854 | S | S | * | * | trans | -74.7 | 160.3 | -172.6 | -60.9 | 165.9 | 166.2 | 174.6 | -5.9 | 113.9 | ||||
| 6 | V | 32.1 | Very low | 30.4 | Very low | 141 Ų | 141 | 160.8 Ų | 160.8 | 86% | 0.855 | 84% | 0.843 | S | S | * | * | -143.3 | 127.4 | 128.3 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 7 | L | 30.4 | Very low | 30.1 | Very low | 145 Ų | 145 | 157.6 Ų | 157.6 | 76% | 0.759 | 84% | 0.837 | S | S | * | * | trans | -97.9 | 143.1 | 169.5 | -90.2 | 147.5 | 0 | 0 | 0 | 108.4 | ||||
| 8 | L | 30.9 | Very low | 29.9 | Very low | 172 Ų | 172 | 156.7 Ų | 156.7 | 90% | 0.901 | 84% | 0.838 | S | S | * | * | trans | -118.6 | 127.6 | 160 | -91 | 159.6 | 0 | 0 | 0 | 109.2 | ||||
| 9 | S | 29.5 | Very low | 29.7 | Very low | 115 Ų | 115 | 154 Ų | 154 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -88.1 | 141.3 | -166.9 | 39.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 10 | L | 29.2 | Very low | 29.6 | Very low | 180 Ų | 180 | 152.1 Ų | 152.1 | 94% | 0.942 | 83% | 0.83 | S | S | * | * | trans | -85.8 | 134.4 | 162 | -87.5 | 142.5 | 0 | 0 | 0 | 109.3 | ||||
| 11 | S | 27.5 | Very low | 29.4 | Very low | 118 Ų | 118 | 153.1 Ų | 153.1 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | -128.5 | 115.9 | 167.2 | 164.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 12 | L | 26.6 | Very low | 29.1 | Very low | 170 Ų | 170 | 153.1 Ų | 153.1 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | trans | -97.1 | 129.1 | 174.9 | -162.5 | 85.9 | 0 | 0 | 0 | 108 | ||||
| 13 | H | 28.1 | Very low | 28.7 | Very low | 189 Ų | 189 | 153.8 Ų | 153.8 | 88% | 0.875 | 82% | 0.821 | S | S | * | * | trans | -135.4 | 140.4 | 160.2 | -141.3 | -80.5 | 0 | 0 | 0 | 112.3 | ||||
| 14 | R | 27.8 | Very low | 28.3 | Very low | 196 Ų | 196 | 152 Ų | 152 | 74% | 0.74 | 82% | 0.82 | S | S | * | * | trans | -95.8 | 145.8 | -159.7 | -170.7 | -176.8 | -171.9 | -167.1 | 5 | 110.7 | ||||
| 15 | S | 24.8 | Very low | 28.2 | Very low | 126 Ų | 126 | 156.1 Ų | 156.1 | 88% | 0.881 | 82% | 0.823 | S | S | * | * | trans | -129.7 | 141.4 | 155 | -169.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 16 | K | 31.4 | Very low | 27.7 | Very low | 156 Ų | 156 | 152.1 Ų | 152.1 | 68% | 0.678 | 82% | 0.822 | S | S | * | * | trans | -98.9 | 141.2 | -163 | -71.2 | 174.7 | 175.5 | 172.8 | 0 | 112.5 | ||||
| 17 | S | 26.2 | Very low | 27.5 | Very low | 107 Ų | 107 | 154.5 Ų | 154.5 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | trans | 43.1 | 128.2 | 140 | 70.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 18 | V | 26.8 | Very low | 27.4 | Very low | 141 Ų | 141 | 156.4 Ų | 156.4 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | -152.2 | 122.3 | 105 | 174.7 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 19 | C | 25.1 | Very low | 27.2 | Very low | 105 Ų | 105 | 156.1 Ų | 156.1 | 71% | 0.709 | 83% | 0.825 | S | S | * | * | trans | -102.6 | 120.7 | 173.9 | 178.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 20 | S | 27 | Very low | 27 | Very low | 116 Ų | 116 | 161.9 Ų | 161.9 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | trans | -90.2 | 100.6 | 166.3 | -95.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 21 | Q | 27.2 | Very low | 26.8 | Very low | 173 Ų | 173 | 159.6 Ų | 159.6 | 81% | 0.808 | 82% | 0.822 | S | S | * | * | trans | -68.4 | 125.7 | 164.1 | -70.6 | 172.8 | -10.2 | 0 | 0 | 109 | ||||
| 22 | R | 26.2 | Very low | 26.7 | Very low | 239 Ų | 239 | 165.7 Ų | 165.7 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | -101.5 | 112.2 | 159.8 | -83.6 | -172.6 | 174.8 | -175.1 | -0.5 | 108.4 | N24 | R22-N24 PolarHBondContact O-N 3.37Š| ||
| 23 | L | 25.6 | Very low | 26.7 | Very low | 163 Ų | 163 | 166.4 Ų | 166.4 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -62.8 | 119.4 | 166.7 | -76.1 | 153.1 | 0 | 0 | 0 | 109.2 | ||||
| 24 | N | 25.2 | Very low | 26.7 | Very low | 154 Ų | 154 | 165.4 Ų | 165.4 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | trans | -93.4 | 114 | 162.8 | -87.2 | -32.6 | 0 | 0 | 0 | 108.4 | R22 V26 | R22-N24 PolarHBondContact O-N 3.37Å; N24-V26 PolarHBondContact O-N 3.47Å | ||
| 25 | I | 25.8 | Very low | 26.7 | Very low | 158 Ų | 158 | 163.1 Ų | 163.1 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | trans | -72.4 | 107.3 | 169.9 | -65.8 | 168.2 | 0 | 0 | 0 | 107 | ||||
| 26 | V | 27.6 | Very low | 26.6 | Very low | 131 Ų | 131 | 162.1 Ų | 162.1 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 117.6 | 169.6 | 176.3 | 0 | 0 | 0 | 0 | 107.6 | N24 | N24-V26 PolarHBondContact O-N 3.47Š|
| 27 | K | 28.2 | Very low | 26.3 | Very low | 191 Ų | 191 | 160.5 Ų | 160.5 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 119.5 | 163.5 | -80.7 | -176.5 | 174 | -178.5 | 0 | 108.2 | ||
| 28 | E | 29.2 | Very low | 26.2 | Very low | 185 Ų | 185 | 165.6 Ų | 165.6 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 134.6 | 162.8 | -86.2 | -172.8 | 130.9 | 0 | 0 | 111.4 | ||
| 29 | L | 25.8 | Very low | 26.2 | Very low | 166 Ų | 166 | 163.9 Ų | 163.9 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | -139.4 | 130.4 | 155.3 | -110.2 | 148.8 | 0 | 0 | 0 | 108.8 | ||||
| 30 | R | 25.3 | Very low | 26.3 | Very low | 236 Ų | 236 | 165.8 Ų | 165.8 | 89% | 0.891 | 82% | 0.819 | S | S | * | * | trans | -70.4 | 129.5 | -160.2 | -63.5 | 168.3 | -179.9 | -177.2 | -1.5 | 111.3 | ||||
| 31 | V | 26.1 | Very low | 26.3 | Very low | 131 Ų | 131 | 165.5 Ų | 165.5 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | -88.7 | 115.3 | 165.6 | 176.5 | 0 | 0 | 0 | 0 | 107.9 | K33 | V31-K33 PolarHBondContact O-N 3.29Š| ||
| 32 | W | 24.7 | Very low | 26.2 | Very low | 247 Ų | 247 | 162.8 Ų | 162.8 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | trans | -72.8 | 113.1 | 166.3 | -115.7 | 10 | 0 | 0 | 0 | 108.5 | ||||
| 33 | K | 26.3 | Very low | 26.3 | Very low | 184 Ų | 184 | 156.6 Ų | 156.6 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | -101.7 | 111.9 | 166.4 | -120.8 | 177 | -178.5 | 177.6 | 0 | 107.1 | V31 | V31-K33 PolarHBondContact O-N 3.29Š| ||
| 34 | L | 28.3 | Very low | 26.3 | Very low | 168 Ų | 168 | 158.3 Ų | 158.3 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | trans | -76.2 | 120.5 | 160.9 | -97.8 | 135.5 | 0 | 0 | 0 | 107.6 | ||||
| 35 | L | 27.2 | Very low | 26.3 | Very low | 149 Ų | 149 | 158.7 Ų | 158.7 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | trans | -110.5 | 133.4 | 168.6 | -107.3 | 154.4 | 0 | 0 | 0 | 107.5 | ||||
| 36 | S | 24 | Very low | 26.4 | Very low | 104 Ų | 104 | 159.4 Ų | 159.4 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -173.8 | 135.5 | 149.7 | 166.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 37 | N | 25.2 | Very low | 26.4 | Very low | 122 Ų | 122 | 157.3 Ų | 157.3 | 65% | 0.652 | 81% | 0.807 | S | S | * | * | cis | -176.2 | 130.1 | -14.5 | -96.7 | -30.5 | 0 | 0 | 0 | 101.2 | ||||
| 38 | F | 24 | Very low | 26.4 | Very low | 214 Ų | 214 | 155.5 Ų | 155.5 | 94% | 0.939 | 81% | 0.806 | S | S | * | * | trans | -154.3 | 117.6 | 145 | -110.6 | -76.6 | 0 | 0 | 0 | 108.9 | ||||
| 39 | T | 26.3 | Very low | 26.3 | Very low | 106 Ų | 106 | 155.4 Ų | 155.4 | 65% | 0.65 | 80% | 0.802 | S | S | * | * | trans | -77.4 | 144.7 | 175.9 | 47.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 40 | N | 26.6 | Very low | 26.4 | Very low | 145 Ų | 145 | 153.9 Ų | 153.9 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | -180 | 122.1 | 116.1 | -86.7 | -16.8 | 0 | 0 | 0 | 111.6 | |||||
| 41 | S | 27.3 | Very low | 26.8 | Very low | 109 Ų | 109 | 148.5 Ų | 148.5 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | 24.2 | 138.8 | 140.9 | 64.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 42 | C | 24.8 | Very low | 27 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | cis | -175.3 | 155.2 | 49.9 | -162.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 43 | S | 27.9 | Very low | 27.3 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 70.5 | 118 | 151.6 | 54.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 44 | K | 26.5 | Very low | 27.5 | Very low | 199 Ų | 199 | 147.3 Ų | 147.3 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | trans | -44.2 | 146.1 | 156.2 | -76 | 168.3 | 165.4 | 175 | 0 | 114.7 | ||||
| 45 | L | 26.2 | Very low | 27.5 | Very low | 161 Ų | 161 | 147.3 Ų | 147.3 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | -175.1 | 170.1 | 112.9 | -111.7 | 140.5 | 0 | 0 | 0 | 112.2 | |||||
| 46 | E | 26.8 | Very low | 27.6 | Very low | 173 Ų | 173 | 150.8 Ų | 150.8 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | -84.6 | 155.3 | -144.1 | -68.3 | 170.7 | 141 | 0 | 0 | 117.9 | ||||
| 47 | A | 27.3 | Very low | 27.9 | Very low | 88 Ų | 88 | 151.8 Ų | 151.8 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | 11.1 | 141 | 137.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 48 | L | 27.9 | Very low | 28.1 | Very low | 153 Ų | 153 | 154.9 Ų | 154.9 | 80% | 0.801 | 81% | 0.81 | S | S | * | * | trans | 115.3 | 122.8 | 137.6 | -78 | 160.2 | 0 | 0 | 0 | 119.2 | ||||
| 49 | K | 27.6 | Very low | 28.5 | Very low | 183 Ų | 183 | 152.2 Ų | 152.2 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | trans | 93 | 116.1 | 145.1 | -70.5 | 168.6 | -177.3 | 179.8 | 0 | 119 | ||||
| 50 | T | 28.6 | Very low | 28.6 | Very low | 134 Ų | 134 | 151.5 Ų | 151.5 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -57.8 | 152.7 | 152.4 | 38.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 51 | P | 34.3 | Very low | 28.8 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | -140.2 | 160.2 | 103.7 | 33.8 | -18 | 0 | 0 | 0 | 114.9 | |||||
| 52 | V | 30.3 | Very low | 28.9 | Very low | 124 Ų | 124 | 154.5 Ų | 154.5 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | trans | -59.6 | 135.2 | 174 | 172 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 53 | H | 29.8 | Very low | 29.2 | Very low | 183 Ų | 183 | 154 Ų | 154 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | trans | -167 | 135.6 | 130.6 | -103.5 | -70.4 | 0 | 0 | 0 | 112.4 | ||||
| 54 | R | 29.9 | Very low | 29.1 | Very low | 230 Ų | 230 | 154 Ų | 154 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | trans | -44.6 | 140.7 | 171.4 | -80 | 172.5 | 161.4 | 170 | -5.8 | 112.6 | ||||
| 55 | L | 29.2 | Very low | 29.2 | Very low | 168 Ų | 168 | 150.7 Ų | 150.7 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | -168.2 | 133 | 137.3 | -97.6 | 153.2 | 0 | 0 | 0 | 111.2 | ||||
| 56 | R | 28.9 | Very low | 29.2 | Very low | 221 Ų | 221 | 148.4 Ų | 148.4 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | 8.1 | 134.6 | 164 | -94.5 | 175 | 174.1 | 169.8 | -2.4 | 120.6 | Q58 | R56-Q58 PolarHBondContact O-N 3.06Š| ||
| 57 | P | 30.2 | Very low | 29.3 | Very low | 125 Ų | 125 | 145.8 Ų | 145.8 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -73.7 | 118.1 | 161.7 | 30.4 | -28.4 | 0 | 0 | 0 | 109.9 | ||||
| 58 | Q | 29.8 | Very low | 29.3 | Very low | 187 Ų | 187 | 145.7 Ų | 145.7 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -91.2 | 121.8 | 157.8 | -73.1 | -171.4 | 17.9 | 0 | 0 | 107.9 | R56 A60 | R56-Q58 PolarHBondContact O-N 3.06Å; Q58-A60 PolarHBondContact O-N 2.96Å | ||
| 59 | I | 33.1 | Very low | 29.4 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -75.5 | 105.1 | 170.3 | -64.5 | 168 | 0 | 0 | 0 | 106.2 | V61 | I59-V61 HydrophobicContact CG2-CG2 4.07Š| ||
| 60 | A | 27.5 | Very low | 29.4 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | -92.2 | 107.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q58 Q62 | Q58-A60 PolarHBondContact O-N 2.96Å; A60-Q62 PolarHBondContact O-N 3.12Å | ||
| 61 | V | 30.8 | Very low | 29.4 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | trans | -73.6 | 105.3 | 168.9 | -179.9 | 0 | 0 | 0 | 0 | 107 | I59 | I59-V61 HydrophobicContact CG2-CG2 4.07Š| ||
| 62 | Q | 28.9 | Very low | 29.2 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | -90.5 | 110.1 | 161.2 | -87.6 | -173.6 | -11.6 | 0 | 0 | 108.4 | A60 C64 | A60-Q62 PolarHBondContact O-N 3.12Å; Q62-C64 PolarHBondContact O-N 3.47Å | ||
| 63 | S | 31.7 | Very low | 29.2 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | -70 | 108.9 | 165.2 | 44 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 64 | C | 25.1 | Very low | 29.2 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 76% | 0.757 | 81% | 0.812 | S | S | * | * | trans | -90.8 | 109.2 | 164.8 | -164.7 | 0 | 0 | 0 | 0 | 108.2 | Q62 C66 | Q62-C64 PolarHBondContact O-N 3.47Å; C64-C66 PolarHBondContact O-N 3.35Å | ||
| 65 | V | 30 | Very low | 29.4 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | trans | -82.6 | 101.9 | 169.4 | 179.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 66 | C | 25.6 | Very low | 29.3 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | -87.3 | 107.5 | 167.1 | -71.3 | 0 | 0 | 0 | 0 | 108.5 | C64 A68 | C64-C66 PolarHBondContact O-N 3.35Å; C66-A68 PolarHBondContact O-N 2.87Å | ||
| 67 | S | 29.3 | Very low | 29.4 | Very low | 117 Ų | 117 | 129 Ų | 129 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -70.6 | 117.1 | 173.7 | -156.5 | 0 | 0 | 0 | 0 | 109.4 | A69 | S67-A69 PolarHBondContact O-N 3.28Š| ||
| 68 | A | 27.5 | Very low | 29.4 | Very low | 87 Ų | 87 | 130.9 Ų | 130.9 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | trans | -73.6 | 120.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | C66 V70 | C66-A68 PolarHBondContact O-N 2.87Å; A68-V70 PolarHBondContact O-N 2.81Å | ||
| 69 | A | 29.7 | Very low | 29.4 | Very low | 101 Ų | 101 | 126.9 Ų | 126.9 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -72.7 | 113.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | S67 S71 | S67-A69 PolarHBondContact O-N 3.28Å; A69-S71 PolarHBondContact O-N 2.87Å | ||
| 70 | V | 27.7 | Very low | 29.2 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 76% | 0.758 | 79% | 0.794 | S | S | * | * | trans | -72.9 | 111 | 170.2 | 176.2 | 0 | 0 | 0 | 0 | 107.7 | A68 | A68-V70 PolarHBondContact O-N 2.81Š| ||
| 71 | S | 28.4 | Very low | 29.2 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -82.2 | 114.4 | 164 | -95 | 0 | 0 | 0 | 0 | 109.1 | A69 | A69-S71 PolarHBondContact O-N 2.87Š| ||
| 72 | V | 29.6 | Very low | 29.1 | Very low | 133 Ų | 133 | 129.3 Ų | 129.3 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | trans | -72.5 | 117.5 | 176.3 | 175.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 73 | M | 29.7 | Very low | 29.3 | Very low | 176 Ų | 176 | 129.7 Ų | 129.7 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -97.7 | 130.2 | 161.9 | -87 | -177.5 | 75.1 | 0 | 0 | 109.1 | ||||
| 74 | Q | 31.5 | Very low | 29.2 | Very low | 183 Ų | 183 | 128.2 Ų | 128.2 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | -176.2 | 164.4 | 148.3 | -82.3 | -141.2 | -26.9 | 0 | 0 | 109.3 | ||||
| 75 | P | 33.5 | Very low | 29.4 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | cis | -129.4 | 177 | -41.6 | 35 | -17.7 | 0 | 0 | 0 | 112 | ||||
| 76 | A | 27.3 | Very low | 29.4 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -68 | 150.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 77 | S | 30.8 | Very low | 29.6 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -132.4 | 128.9 | 159.5 | 48.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 78 | I | 30.8 | Very low | 29.6 | Very low | 163 Ų | 163 | 129 Ų | 129 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | -122.6 | 140.6 | 173.9 | -51.1 | 169 | 0 | 0 | 0 | 105.1 | ||||
| 79 | S | 28.9 | Very low | 29.7 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -127.8 | 115.6 | 170.5 | 54.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 80 | Y | 29.6 | Very low | 29.5 | Very low | 200 Ų | 200 | 129.6 Ų | 129.6 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | 48.3 | 140.4 | 128 | -87.9 | -109.7 | 0 | 0 | 0 | 119.4 | |||||
| 81 | E | 27.7 | Very low | 29.6 | Very low | 165 Ų | 165 | 127.3 Ų | 127.3 | 77% | 0.771 | 80% | 0.798 | S | S | * | * | cis | -175.9 | 166.9 | 4.4 | -147.8 | 177 | -163.4 | 0 | 0 | 109.2 | ||||
| 82 | G | 28.5 | Very low | 29.7 | Very low | 65 Ų | 65 | 129.9 Ų | 129.9 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | trans | 131.5 | 82 | 161.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 83 | E | 31.8 | Very low | 29.7 | Very low | 194 Ų | 194 | 129.5 Ų | 129.5 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | 59.2 | 133.2 | 94.7 | -81.4 | -166.4 | 153.7 | 0 | 0 | 115.1 | |||||
| 84 | A | 29.9 | Very low | 29.9 | Very low | 75 Ų | 75 | 127.1 Ų | 127.1 | 62% | 0.62 | 78% | 0.781 | S | S | * | * | cis | -166.7 | 163.3 | 7.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 85 | N | 30.4 | Very low | 29.9 | Very low | 159 Ų | 159 | 126.1 Ų | 126.1 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | 68.8 | 116.8 | 148 | -65 | -20.5 | 0 | 0 | 0 | 123 | ||||
| 86 | A | 28.8 | Very low | 29.9 | Very low | 96 Ų | 96 | 127.5 Ų | 127.5 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | 152.5 | 113.3 | 99.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 87 | V | 29.9 | Very low | 30.1 | Very low | 143 Ų | 143 | 131.8 Ų | 131.8 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | trans | 30.2 | 139.9 | 130.6 | 178.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 88 | A | 28.8 | Very low | 29.9 | Very low | 88 Ų | 88 | 129.6 Ų | 129.6 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 81 | 122.5 | 154.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 89 | S | 29.9 | Very low | 29.7 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | 99.6 | 113.7 | 56.3 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 90 | G | 27 | Very low | 29.5 | Very low | 78 Ų | 78 | 129 Ų | 129 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 88.9 | 144.3 | 142.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 91 | G | 29 | Very low | 29.3 | Very low | 77 Ų | 77 | 123.3 Ų | 123.3 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | 109.9 | 92.6 | 142.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 92 | E | 29.8 | Very low | 29.3 | Very low | 176 Ų | 176 | 118.7 Ų | 118.7 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | 14.4 | 144.8 | 127.1 | -70.8 | 178.7 | 163.6 | 0 | 0 | 122.7 | |||||
| 93 | N | 30.4 | Very low | 29.2 | Very low | 126 Ų | 126 | 121.7 Ų | 121.7 | 67% | 0.674 | 78% | 0.781 | S | S | * | * | trans | 95.3 | 118.8 | 142.9 | -62.1 | -14.7 | 0 | 0 | 0 | 121.9 | ||||
| 94 | D | 33 | Very low | 29.1 | Very low | 126 Ų | 126 | 120.2 Ų | 120.2 | 67% | 0.674 | 77% | 0.774 | S | S | * | * | 74.8 | 123.1 | 121.9 | -62.3 | -24.3 | 0 | 0 | 0 | 123.4 | |||||
| 95 | E | 32.4 | Very low | 28.9 | Very low | 162 Ų | 162 | 122.6 Ų | 122.6 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | 89.2 | 124.7 | 124.4 | -77.9 | -171.2 | -174.9 | 0 | 0 | 122.9 | |||||
| 96 | E | 32.8 | Very low | 28.7 | Very low | 140 Ų | 140 | 122.5 Ų | 122.5 | 65% | 0.654 | 78% | 0.78 | S | S | * | * | 91.2 | 117.4 | 129.8 | -69.3 | -75.3 | 142.8 | 0 | 0 | 121.9 | |||||
| 97 | E | 32.6 | Very low | 28.6 | Very low | 184 Ų | 184 | 124.3 Ų | 124.3 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | 50.2 | 146.3 | 131.3 | -84.3 | -160.3 | 176.6 | 0 | 0 | 124.3 | ||||
| 98 | G | 26.1 | Very low | 28.4 | Very low | 78 Ų | 78 | 125.8 Ų | 125.8 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 155 | 103.2 | 149.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 99 | C | 25.6 | Very low | 28.2 | Very low | 117 Ų | 117 | 128 Ų | 128 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -93 | 176.3 | -176 | -163.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 100 | T | 26.6 | Very low | 28 | Very low | 137 Ų | 137 | 131.1 Ų | 131.1 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | 83.7 | 143.1 | 162.3 | 77.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 101 | G | 25.1 | Very low | 27.9 | Very low | 81 Ų | 81 | 130.7 Ų | 130.7 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | cis | 150.1 | 139.5 | 5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 102 | G | 26.1 | Very low | 27.8 | Very low | 67 Ų | 67 | 137.7 Ų | 137.7 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | trans | 109.2 | 116.2 | 165 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 103 | T | 27.1 | Very low | 27.7 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | 52.3 | 132.7 | 68 | 67.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 104 | E | 29 | Very low | 27.6 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | cis | -172.6 | 168.2 | 3.8 | -109.2 | 177 | -152.1 | 0 | 0 | 107.5 | ||||
| 105 | T | 27.1 | Very low | 27.3 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | trans | 87.9 | 120 | 150.7 | 42.5 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 106 | L | 25.9 | Very low | 27.1 | Very low | 157 Ų | 157 | 141.3 Ų | 141.3 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | 76.2 | 124.4 | 130.3 | -143.2 | 84.5 | 0 | 0 | 0 | 120.7 | ||||
| 107 | V | 25.8 | Very low | 26.8 | Very low | 134 Ų | 134 | 143.8 Ų | 143.8 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | -176 | 135.4 | 106.7 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 108 | E | 25.5 | Very low | 26.7 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -69.1 | 165.1 | 173.3 | -72.6 | 172.5 | 119.7 | 0 | 0 | 114.3 | ||||
| 109 | V | 25.4 | Very low | 26.7 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | -179.4 | 110.4 | 121.2 | 161.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 110 | E | 25.1 | Very low | 26.8 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | 35.3 | 137.8 | 133.2 | -110.5 | -177.2 | 147.2 | 0 | 0 | 124.6 | ||||
| 111 | G | 25.2 | Very low | 26.8 | Very low | 69 Ų | 69 | 147 Ų | 147 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | 156.2 | 89.4 | 142.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 112 | R | 27.7 | Very low | 26.9 | Very low | 225 Ų | 225 | 147.7 Ų | 147.7 | 85% | 0.849 | 80% | 0.802 | S | S | * | * | trans | 37.1 | 154.1 | 142 | -64.9 | -174 | -176.5 | -131.3 | 3.5 | 121 | ||||
| 113 | M | 26.3 | Very low | 26.9 | Very low | 126 Ų | 126 | 153.3 Ų | 153.3 | 62% | 0.621 | 81% | 0.81 | S | S | * | * | cis | -178.2 | 139.8 | -6.5 | -104.4 | 174.7 | 64.8 | 0 | 0 | 104.1 | ||||
| 114 | Q | 28.8 | Very low | 26.9 | Very low | 201 Ų | 201 | 152.6 Ų | 152.6 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | trans | -164.4 | 137.1 | 136.6 | -112 | 167.5 | 46.6 | 0 | 0 | 111.2 | ||||
| 115 | Q | 27.8 | Very low | 26.7 | Very low | 162 Ų | 162 | 152.5 Ų | 152.5 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | trans | -86.3 | 151.1 | -172 | -70.2 | 165.9 | -29.6 | 0 | 0 | 110.9 | ||||
| 116 | D | 26.8 | Very low | 26.7 | Very low | 177 Ų | 177 | 150.5 Ų | 150.5 | 95% | 0.947 | 81% | 0.806 | S | S | * | * | -156.8 | 149.8 | 122.7 | -101.8 | -22.7 | 0 | 0 | 0 | 111.9 | |||||
| 117 | K | 27.9 | Very low | 26.7 | Very low | 192 Ų | 192 | 150.6 Ų | 150.6 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -133 | 125.3 | -149.1 | 177.4 | -166.6 | -167.1 | -175.3 | 0 | 108.2 | ||||
| 118 | I | 29 | Very low | 26.7 | Very low | 182 Ų | 182 | 149 Ų | 149 | 93% | 0.933 | 80% | 0.801 | S | S | * | * | trans | -134.8 | 146.2 | 154.7 | -79 | 149.4 | 0 | 0 | 0 | 109.6 | ||||
| 119 | S | 26.1 | Very low | 26.8 | Very low | 110 Ų | 110 | 147.9 Ų | 147.9 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -71.7 | 154.6 | -147 | -152.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 120 | L | 29 | Very low | 26.8 | Very low | 143 Ų | 143 | 149.5 Ų | 149.5 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -54.1 | 153.8 | 160.5 | -76.9 | 143.3 | 0 | 0 | 0 | 114.3 | ||||
| 121 | T | 26.4 | Very low | 27 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | -162 | 131.9 | 107.1 | 23.3 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 122 | S | 26.7 | Very low | 27.1 | Very low | 97 Ų | 97 | 152 Ų | 152 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -83.7 | 156.8 | 170.2 | 60.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 123 | Q | 26.8 | Very low | 27 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | -170.6 | 143.5 | 109.2 | -115.7 | 177.2 | 13 | 0 | 0 | 112.8 | |||||
| 124 | V | 27.5 | Very low | 27 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | trans | -75.7 | 149.2 | 169.7 | -73.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 125 | D | 24.9 | Very low | 27 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | 177.5 | 158.1 | 108.1 | -100.7 | -25.3 | 0 | 0 | 0 | 113 | |||||
| 126 | A | 26.1 | Very low | 27.1 | Very low | 82 Ų | 82 | 138.6 Ų | 138.6 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | trans | -105.5 | 170.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 127 | I | 26.3 | Very low | 27.1 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | trans | 109.6 | 127.7 | 147.5 | -58.1 | 166.3 | 0 | 0 | 0 | 118.5 | ||||
| 128 | S | 25.3 | Very low | 27.3 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | 112.6 | 104.3 | 144.6 | -85.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 129 | L | 27.1 | Very low | 27.3 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | 45.6 | 141.3 | 107.8 | -105.2 | 152.4 | 0 | 0 | 0 | 123.4 | |||||
| 130 | E | 26.1 | Very low | 27.4 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | 90.3 | 120.8 | 162.2 | -58 | -178.8 | -176.6 | 0 | 0 | 116.7 | ||||
| 131 | V | 29.3 | Very low | 27.5 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | cis | 87.3 | 130.8 | 49.2 | 176 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 132 | H | 28 | Very low | 27.7 | Very low | 188 Ų | 188 | 132.4 Ų | 132.4 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | trans | 80.6 | 136.3 | -174.4 | -61.9 | -76.8 | 0 | 0 | 0 | 115.3 | ||||
| 133 | G | 24.4 | Very low | 27.8 | Very low | 66 Ų | 66 | 130.9 Ų | 130.9 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | cis | 160.9 | 144.5 | 2.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 134 | S | 27.8 | Very low | 28.1 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | 86.4 | 120.6 | 151.4 | -65.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 135 | I | 28.5 | Very low | 28.6 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | 81.1 | 112.8 | 133.1 | -57 | 162.5 | 0 | 0 | 0 | 119.4 | ||||
| 136 | A | 29.3 | Very low | 29.2 | Very low | 99 Ų | 99 | 128.3 Ų | 128.3 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | -166.5 | 124.8 | 120.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 137 | D | 27.4 | Very low | 29.9 | Very low | 156 Ų | 156 | 128 Ų | 128 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -72 | 150.4 | 172.2 | -62.7 | -65 | 0 | 0 | 0 | 112.6 | ||||
| 138 | A | 31.2 | Very low | 30.7 | Very low | 103 Ų | 103 | 124.2 Ų | 124.2 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | -168.4 | 118.7 | 136.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 139 | E | 30.2 | Very low | 31.7 | Very low | 185 Ų | 185 | 123.3 Ų | 123.3 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | -64.1 | 152.3 | 176 | -54.8 | 174.9 | 136 | 0 | 0 | 112.3 | ||||
| 140 | T | 27.8 | Very low | 32.8 | Very low | 138 Ų | 138 | 119.6 Ų | 119.6 | 85% | 0.847 | 75% | 0.754 | S | S | * | * | -175.4 | 135.6 | 119.3 | -65.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 141 | S | 30.8 | Very low | 34 | Very low | 99 Ų | 99 | 116.5 Ų | 116.5 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | trans | -56.9 | 153.6 | -174.4 | 65.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 142 | T | 30.6 | Very low | 35.1 | Very low | 140 Ų | 140 | 118.8 Ų | 118.8 | 86% | 0.859 | 74% | 0.74 | S | S | * | * | -164.6 | 125.6 | 107.7 | -45 | 0 | 0 | 0 | 0 | 109 | |||||
| 143 | G | 28.3 | Very low | 36.3 | Very low | 66 Ų | 66 | 118.1 Ų | 118.1 | 68% | 0.68 | 73% | 0.734 | S | S | * | * | trans | -79.7 | 159.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 144 | L | 33.8 | Very low | 38.3 | Very low | 176 Ų | 176 | 117.7 Ų | 117.7 | 92% | 0.921 | 72% | 0.721 | S | S | * | * | -172.6 | 145.7 | 129.7 | -90.6 | 169.8 | 0 | 0 | 0 | 109.6 | |||||
| 145 | T | 37.9 | Very low | 40.1 | Very low | 121 Ų | 121 | 118 Ų | 118 | 74% | 0.742 | 71% | 0.708 | S | S | * | * | trans | -62.3 | 161.5 | -157.5 | 58.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 146 | P | 37.3 | Very low | 41.8 | Very low | 108 Ų | 108 | 118.8 Ų | 118.8 | 70% | 0.701 | 70% | 0.701 | S | S | * | * | -142.3 | 90.3 | 124.1 | 36.6 | -19.9 | 0 | 0 | 0 | 113.8 | A148 | P146-A148 PolarHBondContact O-N 3.41Š| |||
| 147 | A | 41.5 | Very low | 43.8 | Very low | 76 Ų | 76 | 122.3 Ų | 122.3 | 63% | 0.628 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -7.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 148 | A | 43.3 | Very low | 45.9 | Very low | 79 Ų | 79 | 120 Ų | 120 | 65% | 0.653 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -90.2 | -14.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | P146 | P146-A148 PolarHBondContact O-N 3.41Å |
| 149 | S | 45.2 | Very low | 47.9 | Very low | 82 Ų | 82 | 124 Ų | 124 | 57% | 0.573 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -94.7 | -26.9 | -174.7 | 78.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 150 | S | 51.1 | Low | 50 | Low | 73 Ų | 73 | 122.9 Ų | 122.9 | 51% | 0.51 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -76.4 | -38.2 | -178.4 | 63.4 | 0 | 0 | 0 | 0 | 112.1 | K152 K153 S154 | S150-K152 PolarHBondContact O-N 3.09Å; S150-K153 PolarHBondContact O-N 2.85Å; S150-S154 WeakPolarHBondContact O-CB 3.15Å; S150-S154 PolarHBondContact O-N 3.34Å |
| 151 | E | 51 | Low | 52.2 | Low | 104 Ų | 104 | 121.5 Ų | 121.5 | 49% | 0.486 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -63.3 | -40.5 | 177.1 | -91.1 | -150.4 | 120.6 | 0 | 0 | 113.2 | K153 S154 K155 | E151-K153 VanDerWaalsContact C-N 3.32Å; E151-K153 PolarHBondContact O-N 2.91Å; E151-S154 PolarHBondContact O-N 2.7Å; E151-S154 PolarHBondContact O-OG 3.42Å; E151-S154 VanDerWaalsContact O-OG 3.07Å; E151-K155 VanDerWaalsContact O-CB 3.29Å; E151-K155 WeakPolarHBondContact O-CB 3.43Å; E151-K155 VanDerWaalsContact O-CG 3.29Å; E151-K155 WeakPolarHBondContact O-CG 3.26Å; E151-K155 PolarHBondContact O-N 3.47Å; E151-K155 IonicContact OE1-NZ 3.83Å; E151-K155 PolarHBondContact OE1-NZ 3.27Å; E151-K155 IonicContact OE2-NZ 3.15Å; E151-K155 PolarHBondContact OE2-NZ 2.87Å |
| 152 | K | 52.3 | Low | 54.4 | Low | 168 Ų | 168 | 125.5 Ų | 125.5 | 73% | 0.73 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68 | -34.3 | 177.8 | -83.7 | 178.6 | 179 | 169.8 | 0 | 111.4 | S150 R156 | S150-K152 PolarHBondContact O-N 3.09Å; K152-R156 VanDerWaalsContact O-CB 3.3Å; K152-R156 WeakPolarHBondContact O-CB 3.23Å; K152-R156 PolarHBondContact O-N 3.38Å |
| 153 | K | 52.6 | Low | 56.6 | Low | 173 Ų | 173 | 123 Ų | 123 | 75% | 0.752 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.8 | -41.6 | 172.5 | -102 | 178.9 | 175.5 | 176.9 | 0 | 111.5 | S150 E151 R156 R157 | S150-K153 PolarHBondContact O-N 2.85Å; E151-K153 VanDerWaalsContact C-N 3.32Å; E151-K153 PolarHBondContact O-N 2.91Å; K153-R156 PolarHBondContact O-N 2.98Å; K153-R157 PolarHBondContact O-N 3.47Å |
| 154 | S | 67.3 | Low | 59 | Low | 58 Ų | 58 | 127.1 Ų | 127.1 | 41% | 0.406 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.6 | -45.2 | 179.6 | 80.7 | 0 | 0 | 0 | 0 | 112.2 | S150 E151 R156 R157 M158 | S150-S154 WeakPolarHBondContact O-CB 3.15Å; S150-S154 PolarHBondContact O-N 3.34Å; E151-S154 PolarHBondContact O-N 2.7Å; E151-S154 PolarHBondContact O-OG 3.42Å; E151-S154 VanDerWaalsContact O-OG 3.07Å; S154-R156 VanDerWaalsContact C-N 3.27Å; S154-R156 PolarHBondContact O-N 3.34Å; S154-R157 PolarHBondContact O-N 3.37Å; S154-M158 WeakPolarHBondContact O-CB 3.3Å; S154-M158 PolarHBondContact O-N 3.33Å |
| 155 | K | 64.9 | Low | 61 | Low | 119 Ų | 119 | 123.7 Ų | 123.7 | 52% | 0.517 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -59.8 | -37.3 | 175.6 | -74.4 | 169.2 | -177.3 | 158 | 0 | 111.7 | E151 R159 | E151-K155 VanDerWaalsContact O-CB 3.29Å; E151-K155 WeakPolarHBondContact O-CB 3.43Å; E151-K155 VanDerWaalsContact O-CG 3.29Å; E151-K155 WeakPolarHBondContact O-CG 3.26Å; E151-K155 PolarHBondContact O-N 3.47Å; E151-K155 IonicContact OE1-NZ 3.83Å; E151-K155 PolarHBondContact OE1-NZ 3.27Å; E151-K155 IonicContact OE2-NZ 3.15Å; E151-K155 PolarHBondContact OE2-NZ 2.87Å; K155-R159 WeakPolarHBondContact O-CB 3.44Å; K155-R159 PolarHBondContact O-N 2.94Å; K155-R159 VanDerWaalsContact O-N 3.09Å |
| 156 | R | 63.5 | Low | 62.6 | Low | 172 Ų | 172 | 124.5 Ų | 124.5 | 65% | 0.649 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74.8 | -33.4 | 178.8 | -156.4 | 173.4 | -177.6 | -173.8 | 0.6 | 112.7 | K152 K153 S154 R160 | K152-R156 VanDerWaalsContact O-CB 3.3Å; K152-R156 WeakPolarHBondContact O-CB 3.23Å; K152-R156 PolarHBondContact O-N 3.38Å; K153-R156 PolarHBondContact O-N 2.98Å; S154-R156 VanDerWaalsContact C-N 3.27Å; S154-R156 PolarHBondContact O-N 3.34Å; R156-R160 WeakPolarHBondContact O-CG 3.34Å; R156-R160 PolarHBondContact O-N 2.87Å |
| 157 | R | 71.4 | Confident | 64.1 | Low | 173 Ų | 173 | 128 Ų | 128 | 65% | 0.653 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.5 | -48.1 | 172.3 | -176 | 177.3 | 173.8 | 176.2 | -0 | 111.1 | K153 S154 R159 R160 E161 | K153-R157 PolarHBondContact O-N 3.47Å; S154-R157 PolarHBondContact O-N 3.37Å; R157-R159 VanDerWaalsContact C-N 3.32Å; R157-R159 PolarHBondContact O-N 3.25Å; R157-R160 WeakPolarHBondContact O-CB 3.38Å; R157-R160 PolarHBondContact O-N 2.93Å; R157-E161 IonicContact NE-OE1 3.07Å; R157-E161 PolarHBondContact O-N 2.88Å |
| 158 | M | 72.7 | Confident | 65.4 | Low | 107 Ų | 107 | 133.9 Ų | 133.9 | 53% | 0.527 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.9 | -37.5 | 179.2 | -158.6 | -167.8 | -68.1 | 0 | 0 | 112.3 | S154 E161 R162 | S154-M158 WeakPolarHBondContact O-CB 3.3Å; S154-M158 PolarHBondContact O-N 3.33Å; M158-E161 PolarHBondContact O-N 3.42Å; M158-R162 PolarHBondContact O-N 3.39Å |
| 159 | R | 72.8 | Confident | 66.6 | Low | 186 Ų | 186 | 137.1 Ų | 137.1 | 70% | 0.702 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.9 | -37 | 173.9 | -170.4 | 175.8 | 178 | -174.1 | 0.2 | 112.8 | K155 R157 I163 | K155-R159 WeakPolarHBondContact O-CB 3.44Å; K155-R159 PolarHBondContact O-N 2.94Å; K155-R159 VanDerWaalsContact O-N 3.09Å; R157-R159 VanDerWaalsContact C-N 3.32Å; R157-R159 PolarHBondContact O-N 3.25Å; R159-I163 HydrophobicContact CG-CD1 4.3Å; R159-I163 VanDerWaalsContact O-CG1 3.3Å; R159-I163 WeakPolarHBondContact O-CG1 3.42Å; R159-I163 PolarHBondContact O-N 3.23Å |
| 160 | R | 74 | Confident | 67.5 | Low | 163 Ų | 163 | 138.8 Ų | 138.8 | 62% | 0.615 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.9 | -37.9 | 176.8 | -75.6 | 174.3 | 176.3 | 179.8 | -1.2 | 111.8 | R156 R157 I163 K164 | R156-R160 WeakPolarHBondContact O-CG 3.34Å; R156-R160 PolarHBondContact O-N 2.87Å; R157-R160 WeakPolarHBondContact O-CB 3.38Å; R157-R160 PolarHBondContact O-N 2.93Å; R160-I163 PolarHBondContact O-N 2.99Å; R160-K164 PolarHBondContact O-N 2.95Å |
| 161 | E | 73.1 | Confident | 67.9 | Low | 108 Ų | 108 | 143.4 Ų | 143.4 | 51% | 0.505 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -68.5 | -41.1 | 175.8 | -75.2 | 177.2 | -170.5 | 0 | 0 | 112.1 | R157 M158 I163 K164 L165 | R157-E161 IonicContact NE-OE1 3.07Å; R157-E161 PolarHBondContact O-N 2.88Å; M158-E161 PolarHBondContact O-N 3.42Å; E161-I163 VanDerWaalsContact C-N 3.33Å; E161-I163 PolarHBondContact O-N 2.9Å; E161-K164 PolarHBondContact O-N 2.9Å; E161-L165 PolarHBondContact O-N 3.38Å |
| 162 | R | 78.2 | Confident | 68.1 | Low | 184 Ų | 184 | 142.2 Ų | 142.2 | 69% | 0.694 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -58.8 | -41.2 | 172.2 | -82.1 | -174.2 | 178.3 | 175.3 | 0.7 | 113 | M158 L165 M166 | M158-R162 PolarHBondContact O-N 3.39Å; R162-L165 PolarHBondContact O-N 3.37Å; R162-M166 PolarHBondContact O-N 3.43Å |
| 163 | I | 76.4 | Confident | 68.3 | Low | 86 Ų | 86 | 136.8 Ų | 136.8 | 44% | 0.441 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.6 | -38.7 | 177.1 | -67.1 | 166.7 | 0 | 0 | 0 | 111.1 | R159 R160 E161 M166 R167 | R159-I163 HydrophobicContact CG-CD1 4.3Å; R159-I163 VanDerWaalsContact O-CG1 3.3Å; R159-I163 WeakPolarHBondContact O-CG1 3.42Å; R159-I163 PolarHBondContact O-N 3.23Å; R160-I163 PolarHBondContact O-N 2.99Å; E161-I163 VanDerWaalsContact C-N 3.33Å; E161-I163 PolarHBondContact O-N 2.9Å; I163-M166 PolarHBondContact O-N 3.39Å; I163-R167 WeakPolarHBondContact O-CG 3.42Å; I163-R167 PolarHBondContact O-N 3.45Å |
| 164 | K | 79.4 | Confident | 68.1 | Low | 153 Ų | 153 | 135.9 Ų | 135.9 | 67% | 0.665 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.6 | -41.4 | 173.6 | -84.7 | -174.9 | 176.5 | -176.6 | 0 | 112 | R160 E161 R167 R168 | R160-K164 PolarHBondContact O-N 2.95Å; E161-K164 PolarHBondContact O-N 2.9Å; K164-R167 PolarHBondContact O-N 3.28Å; K164-R168 WeakPolarHBondContact O-CG 3.27Å; K164-R168 PolarHBondContact O-N 3.45Å |
| 165 | L | 74.6 | Confident | 67.3 | Low | 105 Ų | 105 | 136.2 Ų | 136.2 | 55% | 0.55 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.5 | -44.4 | 177.6 | -163.3 | 88.1 | 0 | 0 | 0 | 111.5 | E161 R162 R167 R168 K169 | E161-L165 PolarHBondContact O-N 3.38Å; R162-L165 PolarHBondContact O-N 3.37Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-R167 PolarHBondContact O-N 3.28Å; L165-R168 PolarHBondContact O-N 2.89Å; L165-K169 PolarHBondContact O-N 3.33Å |
| 166 | M | 72.3 | Confident | 66.7 | Low | 138 Ų | 138 | 133.9 Ų | 133.9 | 68% | 0.68 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61.7 | -39.5 | 175.3 | -82.2 | -162.8 | 174 | 0 | 0 | 112.4 | R162 I163 K169 L170 | R162-M166 PolarHBondContact O-N 3.43Å; I163-M166 PolarHBondContact O-N 3.39Å; M166-K169 PolarHBondContact O-N 2.88Å; M166-L170 WeakPolarHBondContact O-CG 3.15Å; M166-L170 PolarHBondContact O-N 3.48Å |
| 167 | R | 67.9 | Low | 66.2 | Low | 181 Ų | 181 | 128.8 Ų | 128.8 | 68% | 0.683 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.5 | -34.3 | 175.9 | -77.3 | -178.8 | 169.3 | -171.3 | -4.6 | 113.3 | I163 K164 L165 K171 | I163-R167 WeakPolarHBondContact O-CG 3.42Å; I163-R167 PolarHBondContact O-N 3.45Å; K164-R167 PolarHBondContact O-N 3.28Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-R167 PolarHBondContact O-N 3.28Å; R167-K171 PolarHBondContact O-N 3.45Å |
| 168 | R | 69 | Low | 65.3 | Low | 199 Ų | 199 | 124.5 Ų | 124.5 | 75% | 0.751 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.4 | -39.1 | 172.8 | -73 | 176.7 | 80.8 | 162.6 | 4.1 | 111.5 | K164 L165 K171 S172 | K164-R168 WeakPolarHBondContact O-CG 3.27Å; K164-R168 PolarHBondContact O-N 3.45Å; L165-R168 PolarHBondContact O-N 2.89Å; R168-K171 PolarHBondContact O-N 2.99Å; R168-S172 PolarHBondContact O-N 2.74Å |
| 169 | K | 67.9 | Low | 64.2 | Low | 147 Ų | 147 | 126.1 Ų | 126.1 | 64% | 0.639 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.5 | -39.2 | 174.4 | -72.6 | -169.4 | 175.1 | -166 | 0 | 112.7 | L165 M166 S172 A173 | L165-K169 PolarHBondContact O-N 3.33Å; M166-K169 PolarHBondContact O-N 2.88Å; K169-S172 PolarHBondContact O-N 3.44Å; K169-A173 PolarHBondContact O-N 3.28Å |
| 170 | L | 64.5 | Low | 63 | Low | 118 Ų | 118 | 123.5 Ų | 123.5 | 62% | 0.618 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.7 | -42.9 | 174.1 | -74.4 | 162.2 | 0 | 0 | 0 | 112 | M166 S172 A173 E174 | M166-L170 WeakPolarHBondContact O-CG 3.15Å; M166-L170 PolarHBondContact O-N 3.48Å; L170-S172 VanDerWaalsContact C-N 3.3Å; L170-S172 PolarHBondContact O-N 2.87Å; L170-A173 PolarHBondContact O-N 3.47Å; L170-E174 PolarHBondContact O-N 2.75Å |
| 171 | K | 59.9 | Low | 62 | Low | 170 Ų | 170 | 119.3 Ų | 119.3 | 74% | 0.739 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.9 | -32.9 | 173.8 | -85.2 | -173.7 | 171.4 | -167.6 | 0 | 113.7 | R167 R168 A175 | R167-K171 PolarHBondContact O-N 3.45Å; R168-K171 PolarHBondContact O-N 2.99Å; K171-A175 PolarHBondContact O-N 3.24Å |
| 172 | S | 55.5 | Low | 61.1 | Low | 79 Ų | 79 | 122.2 Ų | 122.2 | 55% | 0.552 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.7 | -34.2 | 175.2 | -175 | 0 | 0 | 0 | 0 | 112.6 | R168 K169 L170 S176 | R168-S172 PolarHBondContact O-N 2.74Å; K169-S172 PolarHBondContact O-N 3.44Å; L170-S172 VanDerWaalsContact C-N 3.3Å; L170-S172 PolarHBondContact O-N 2.87Å; S172-S176 PolarHBondContact O-N 2.96Å; S172-S176 VanDerWaalsContact O-N 3.16Å; S172-S176 PolarHBondContact O-OG 3.28Å |
| 173 | A | 55.9 | Low | 59.9 | Low | 54 Ų | 54 | 118.4 Ų | 118.4 | 45% | 0.446 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -72.4 | -36 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K169 L170 S176 A177 | K169-A173 PolarHBondContact O-N 3.28Å; L170-A173 PolarHBondContact O-N 3.47Å; A173-S176 WeakPolarHBondContact CA-OG 3.36Å; A173-S176 PolarHBondContact O-N 3.05Å; A173-S176 PolarHBondContact O-OG 2.98Å; A173-A177 PolarHBondContact O-N 2.9Å; A173-A177 VanDerWaalsContact O-N 3.08Å |
| 174 | E | 48.3 | Very low | 58.5 | Low | 154 Ų | 154 | 120.2 Ų | 120.2 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.7 | -41.1 | 172.2 | -158.7 | 102.7 | -157.9 | 0 | 0 | 111.3 | L170 A177 S178 | L170-E174 PolarHBondContact O-N 2.75Å; E174-A177 PolarHBondContact O-N 2.78Å; E174-S178 PolarHBondContact O-N 3.11Å |
| 175 | A | 50.9 | Low | 57.1 | Low | 64 Ų | 64 | 121.7 Ų | 121.7 | 53% | 0.529 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -67.3 | -34.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | K171 | K171-A175 PolarHBondContact O-N 3.24Å |
| 176 | S | 52.5 | Low | 55.8 | Low | 71 Ų | 71 | 119.7 Ų | 119.7 | 50% | 0.497 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -75.8 | -26.2 | 174.2 | 54.6 | 0 | 0 | 0 | 0 | 113.7 | S172 A173 S178 L179 | S172-S176 PolarHBondContact O-N 2.96Å; S172-S176 VanDerWaalsContact O-N 3.16Å; S172-S176 PolarHBondContact O-OG 3.28Å; A173-S176 WeakPolarHBondContact CA-OG 3.36Å; A173-S176 PolarHBondContact O-N 3.05Å; A173-S176 PolarHBondContact O-OG 2.98Å; S176-S178 VanDerWaalsContact C-N 3.33Å; S176-L179 PolarHBondContact O-N 3.39Å |
| 177 | A | 53 | Low | 54.5 | Low | 65 Ų | 65 | 121.1 Ų | 121.1 | 54% | 0.537 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -70.7 | -31.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A173 E174 L179 M180 | A173-A177 PolarHBondContact O-N 2.9Å; A173-A177 VanDerWaalsContact O-N 3.08Å; E174-A177 PolarHBondContact O-N 2.78Å; A177-L179 PolarHBondContact O-N 2.82Å; A177-M180 PolarHBondContact O-N 2.82Å |
| 178 | S | 51.7 | Low | 53.5 | Low | 83 Ų | 83 | 116 Ų | 116 | 58% | 0.58 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -16.3 | 174.8 | -168 | 0 | 0 | 0 | 0 | 114.2 | E174 S176 S181 | E174-S178 PolarHBondContact O-N 3.11Å; S176-S178 VanDerWaalsContact C-N 3.33Å; S178-S181 PolarHBondContact O-OG 3Å; S178-S181 VanDerWaalsContact O-OG 3.06Å |
| 179 | L | 50.3 | Low | 52.6 | Low | 140 Ų | 140 | 109.7 Ų | 109.7 | 73% | 0.733 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -11.8 | -179 | -152.9 | 125.2 | 0 | 0 | 0 | 112.7 | S176 A177 | S176-L179 PolarHBondContact O-N 3.39Å; A177-L179 PolarHBondContact O-N 2.82Å |
| 180 | M | 46.5 | Very low | 51.8 | Low | 131 Ų | 131 | 108.5 Ų | 108.5 | 65% | 0.645 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -95.1 | -3.2 | 177.4 | -72 | -70.2 | -64.6 | 0 | 0 | 113.1 | A177 L183 | A177-M180 PolarHBondContact O-N 2.82Å; M180-L183 HydrophobicContact CE-CD1 4.28Å |
| 181 | S | 54.9 | Low | 51 | Low | 76 Ų | 76 | 108 Ų | 108 | 53% | 0.531 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -87.4 | -1.6 | 177.4 | 46 | 0 | 0 | 0 | 0 | 114.4 | S178 | S178-S181 PolarHBondContact O-OG 3Å; S178-S181 VanDerWaalsContact O-OG 3.06Å |
| 182 | E | 53.6 | Low | 50.4 | Low | 169 Ų | 169 | 102.8 Ų | 102.8 | 79% | 0.79 | 61% | 0.612 | S | S | * | * | trans | -106.9 | 20.4 | -177.9 | -64.9 | -170 | 165.6 | 0 | 0 | 113.8 | ||||
| 183 | L | 53.5 | Low | 50 | Low | 104 Ų | 104 | 106.8 Ų | 106.8 | 55% | 0.545 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -87.9 | 137.9 | 171.1 | -66.2 | 174.8 | 0 | 0 | 0 | 110.5 | M180 F185 A186 | M180-L183 HydrophobicContact CE-CD1 4.28Å; L183-F185 PolarHBondContact O-N 2.69Å; L183-A186 WeakPolarHBondContact O-CB 3.44Å; L183-A186 PolarHBondContact O-N 3.03Å; L183-A186 VanDerWaalsContact O-N 3.08Å |
| 184 | P | 46.5 | Very low | 49.5 | Very low | 123 Ų | 123 | 113.3 Ų | 113.3 | 80% | 0.799 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -5.3 | -171 | 26.4 | -35 | 0 | 0 | 0 | 114.9 | ||
| 185 | F | 50.3 | Low | 49.6 | Very low | 184 Ų | 184 | 114 Ų | 114 | 81% | 0.807 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -4.8 | 175.6 | -84.3 | -86.9 | 0 | 0 | 0 | 114.3 | L183 L187 | L183-F185 PolarHBondContact O-N 2.69Å; F185-L187 VanDerWaalsContact C-N 3.31Å; F185-L187 PolarHBondContact O-N 3.41Å |
| 186 | A | 46.3 | Very low | 49.8 | Very low | 63 Ų | 63 | 117 Ų | 117 | 52% | 0.521 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -83.6 | 0.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L183 | L183-A186 WeakPolarHBondContact O-CB 3.44Å; L183-A186 PolarHBondContact O-N 3.03Å; L183-A186 VanDerWaalsContact O-N 3.08Å |
| 187 | L | 45.5 | Very low | 49.4 | Very low | 169 Ų | 169 | 116.9 Ų | 116.9 | 89% | 0.885 | 65% | 0.653 | S | S | * | * | trans | -111.8 | 66.1 | 175.1 | -65.2 | 176.4 | 0 | 0 | 0 | 110.6 | F185 | F185-L187 VanDerWaalsContact C-N 3.31Å; F185-L187 PolarHBondContact O-N 3.41Å | ||
| 188 | T | 45.8 | Very low | 48.8 | Very low | 74 Ų | 74 | 120.9 Ų | 120.9 | 45% | 0.454 | 66% | 0.659 | S | S | . | * | trans | -113.9 | 118.5 | 159.6 | 48.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 189 | S | 51.3 | Low | 48.3 | Very low | 66 Ų | 66 | 122.6 Ų | 122.6 | 46% | 0.462 | 67% | 0.668 | S | S | . | * | trans | -62.7 | 158.7 | 179.6 | 46.1 | 0 | 0 | 0 | 0 | 110.8 | T191 T192 | S189-T191 PolarHBondContact O-N 2.87Å; S189-T191 PolarHBondContact OG-OG1 3.2Å; S189-T192 PolarHBondContact O-N 2.99Å; S189-T192 PolarHBondContact O-OG1 2.97Å | ||
| 190 | P | 50.1 | Low | 47.8 | Very low | 122 Ų | 122 | 122.1 Ų | 122.1 | 79% | 0.792 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -13.5 | -177.8 | -22.9 | 32.7 | 0 | 0 | 0 | 114.7 | ||
| 191 | T | 48 | Very low | 47.4 | Very low | 107 Ų | 107 | 121.8 Ų | 121.8 | 66% | 0.656 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -28.5 | -179.1 | 10.1 | 0 | 0 | 0 | 0 | 113.7 | S189 W193 | S189-T191 PolarHBondContact O-N 2.87Å; S189-T191 PolarHBondContact OG-OG1 3.2Å; T191-W193 VanDerWaalsContact C-N 3.33Å; T191-W193 PolarHBondContact O-N 2.91Å |
| 192 | T | 48.4 | Very low | 46.4 | Very low | 61 Ų | 61 | 126.9 Ų | 126.9 | 37% | 0.374 | 69% | 0.694 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.8 | -21.5 | -178.3 | -25.4 | 0 | 0 | 0 | 0 | 113 | S189 | S189-T192 PolarHBondContact O-N 2.99Å; S189-T192 PolarHBondContact O-OG1 2.97Å |
| 193 | W | 46.8 | Very low | 45.6 | Very low | 163 Ų | 163 | 125.6 Ų | 125.6 | 62% | 0.617 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -18.3 | -178.9 | -71.1 | 78.4 | 0 | 0 | 0 | 113.7 | T191 | T191-W193 VanDerWaalsContact C-N 3.33Å; T191-W193 PolarHBondContact O-N 2.91Å |
| 194 | K | 46.2 | Very low | 44.6 | Very low | 191 Ų | 191 | 125.8 Ų | 125.8 | 83% | 0.83 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -24.4 | 178.1 | -147 | 174 | -172.6 | -179 | 0 | 112.4 | ||
| 195 | E | 49.7 | Very low | 44.2 | Very low | 169 Ų | 169 | 129.3 Ų | 129.3 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -15.9 | -179.2 | -157.7 | 168.9 | -168.3 | 0 | 0 | 112.9 | ||
| 196 | L | 55.6 | Low | 43.3 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 65% | 0.654 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | 14.1 | 179.8 | -67 | 174.9 | 0 | 0 | 0 | 114.7 | F198 | L196-F198 HydrophobicContact CB-CD2 4.34Å; L196-F198 HydrophobicContact CB-CE2 4.4Å; L196-F198 WeakPolarHBondContact O-CD2 3.4Å; L196-F198 PolarHBondContact O-N 3.48Å |
| 197 | G | 43.8 | Very low | 42.9 | Very low | 69 Ų | 69 | 136.7 Ų | 136.7 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.9 | 18.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 198 | F | 40 | Very low | 42.2 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 66% | 0.658 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 131.6 | 174.2 | -64.5 | -75.5 | 0 | 0 | 0 | 111.8 | L196 | L196-F198 HydrophobicContact CB-CD2 4.34Å; L196-F198 HydrophobicContact CB-CE2 4.4Å; L196-F198 WeakPolarHBondContact O-CD2 3.4Å; L196-F198 PolarHBondContact O-N 3.48Å |
| 199 | P | 40.9 | Very low | 41.6 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 130.2 | -178.6 | 27 | -31.3 | 0 | 0 | 0 | 112.3 | ||
| 200 | T | 40.5 | Very low | 40.7 | Very low | 130 Ų | 130 | 155.5 Ų | 155.5 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 130.8 | 172.2 | 41.5 | 0 | 0 | 0 | 0 | 111.4 | ||
| 201 | P | 38.7 | Very low | 39.9 | Very low | 123 Ų | 123 | 159 Ų | 159 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -80 | 121.3 | 173.6 | 29.2 | -29.7 | 0 | 0 | 0 | 111.4 | ||
| 202 | E | 33.4 | Very low | 39.1 | Very low | 184 Ų | 184 | 166.3 Ų | 166.3 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 134.3 | 168.8 | -67.8 | -174.6 | 156.2 | 0 | 0 | 111.4 | S204 | E202-S204 PolarHBondContact O-N 3.4Š|
| 203 | T | 36.2 | Very low | 38.3 | Very low | 141 Ų | 141 | 166 Ų | 166 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | trans | -72.5 | 105.2 | 178 | 49.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 204 | S | 33.6 | Very low | 37.4 | Very low | 109 Ų | 109 | 165.8 Ų | 165.8 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | trans | -115.2 | 101.6 | 160.3 | 57.6 | 0 | 0 | 0 | 0 | 109.7 | E202 K206 | E202-S204 PolarHBondContact O-N 3.4Å; S204-K206 PolarHBondContact O-N 3.34Å | ||
| 205 | E | 37 | Very low | 36.8 | Very low | 197 Ų | 197 | 164.6 Ų | 164.6 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -73.2 | 92.4 | 174.8 | -69.6 | -169.2 | 154.5 | 0 | 0 | 110.6 | ||||
| 206 | K | 32 | Very low | 35.9 | Very low | 193 Ų | 193 | 160.1 Ų | 160.1 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | -123.6 | 112.6 | 162.2 | -82.2 | -179.1 | -179.4 | 171.3 | 0 | 111 | S204 | S204-K206 PolarHBondContact O-N 3.34Š| ||
| 207 | K | 36.9 | Very low | 34.6 | Very low | 209 Ų | 209 | 158 Ų | 158 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | trans | 7.5 | 118.3 | 153.9 | -74.6 | 174 | 175.3 | 167 | 0 | 116.8 | ||||
| 208 | R | 30.8 | Very low | 34.2 | Very low | 249 Ų | 249 | 166.4 Ų | 166.4 | 94% | 0.94 | 84% | 0.837 | S | S | * | * | trans | -133.5 | 108.3 | 149 | -77.8 | -169.9 | 144.5 | 179.1 | -6.9 | 113.2 | ||||
| 209 | K | 33 | Very low | 33.9 | Very low | 196 Ų | 196 | 165.9 Ų | 165.9 | 85% | 0.852 | 85% | 0.846 | S | S | * | * | trans | -67.6 | 126.8 | 171.2 | -140.9 | 175.8 | -176.1 | -178.2 | 0 | 108.4 | K211 | K209-K211 PolarHBondContact O-N 3.09Š| ||
| 210 | R | 33.7 | Very low | 33.7 | Very low | 259 Ų | 259 | 167 Ų | 167 | 98% | 0.977 | 85% | 0.846 | S | S | * | * | trans | -73.1 | 115.3 | 171 | -70.7 | 178.7 | 173.8 | 168.8 | -2.2 | 109.2 | ||||
| 211 | K | 32.9 | Very low | 33.5 | Very low | 196 Ų | 196 | 166.7 Ų | 166.7 | 85% | 0.852 | 85% | 0.849 | S | S | * | * | trans | -113.1 | 120.9 | 165.2 | -170.8 | 177.3 | -179.1 | -176.3 | 0 | 106.7 | K209 | K209-K211 PolarHBondContact O-N 3.09Š| ||
| 212 | R | 31.3 | Very low | 33.7 | Very low | 259 Ų | 259 | 169.5 Ų | 169.5 | 98% | 0.977 | 85% | 0.851 | S | S | * | * | trans | -134.2 | 132.4 | 167.3 | -167.1 | 179 | -174.5 | -151.1 | 1 | 107.4 | ||||
| 213 | G | 31 | Very low | 34 | Very low | 56 Ų | 56 | 170.3 Ų | 170.3 | 58% | 0.577 | 86% | 0.855 | S | S | * | * | trans | 113.3 | 121.9 | -165.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 214 | D | 28 | Very low | 34 | Very low | 157 Ų | 157 | 171 Ų | 171 | 84% | 0.84 | 85% | 0.853 | S | S | * | * | cis | -167.8 | 156.5 | 18.1 | -172.7 | 15.6 | 0 | 0 | 0 | 107.1 | ||||
| 215 | I | 33.8 | Very low | 34.2 | Very low | 167 Ų | 167 | 168.8 Ų | 168.8 | 86% | 0.856 | 85% | 0.847 | S | S | * | * | trans | -98.8 | 121 | 177.3 | -59.8 | 172.4 | 0 | 0 | 0 | 108 | ||||
| 216 | G | 31.2 | Very low | 34.3 | Very low | 75 Ų | 75 | 167 Ų | 167 | 77% | 0.773 | 84% | 0.844 | S | S | * | * | trans | 104.5 | 126 | 152.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 217 | G | 28 | Very low | 34.8 | Very low | 80 Ų | 80 | 166.4 Ų | 166.4 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | trans | 138.1 | 70.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 218 | R | 34.3 | Very low | 35.2 | Very low | 245 Ų | 245 | 164.9 Ų | 164.9 | 93% | 0.925 | 84% | 0.838 | S | S | * | * | trans | -36.1 | 129.4 | 156.4 | 170.1 | -179.8 | -176.2 | 159.7 | 0.2 | 114.1 | ||||
| 219 | V | 34.6 | Very low | 35.9 | Very low | 140 Ų | 140 | 162.3 Ų | 162.3 | 85% | 0.848 | 83% | 0.834 | S | S | * | * | -165.3 | 128.7 | 121.5 | -170.9 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 220 | D | 37.2 | Very low | 36.6 | Very low | 143 Ų | 143 | 162.7 Ų | 162.7 | 77% | 0.765 | 84% | 0.835 | S | S | * | * | trans | -63 | 138.3 | 172.4 | -91.8 | -47.7 | 0 | 0 | 0 | 112.8 | ||||
| 221 | S | 36.8 | Very low | 37 | Very low | 123 Ų | 123 | 159.8 Ų | 159.8 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -161.4 | 121.5 | 148.6 | -77.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 222 | E | 41 | Very low | 37.6 | Very low | 182 Ų | 182 | 160.1 Ų | 160.1 | 85% | 0.85 | 83% | 0.831 | S | S | * | * | trans | -78.9 | 161.4 | -172.4 | -50.4 | -151.6 | 131.5 | 0 | 0 | 112 | ||||
| 223 | E | 40.9 | Very low | 38.3 | Very low | 200 Ų | 200 | 156.3 Ų | 156.3 | 94% | 0.935 | 82% | 0.824 | S | S | * | * | trans | 80.3 | 84.2 | 167.2 | -144.2 | 176.3 | 170.3 | 0 | 0 | 117.4 | ||||
| 224 | D | 35.2 | Very low | 39.5 | Very low | 156 Ų | 156 | 158.8 Ų | 158.8 | 83% | 0.834 | 83% | 0.833 | S | S | * | * | trans | -150.2 | 118.7 | 140.9 | -163.4 | 11.5 | 0 | 0 | 0 | 110.3 | D226 | D224-D226 PolarHBondContact O-N 3.1Š| ||
| 225 | G | 37.9 | Very low | 41.8 | Very low | 62 Ų | 62 | 155.7 Ų | 155.7 | 64% | 0.639 | 81% | 0.813 | S | S | * | * | trans | -69.7 | 99.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q227 | G225-Q227 PolarHBondContact O-N 3.21Š| ||
| 226 | D | 39 | Very low | 44.3 | Very low | 159 Ų | 159 | 157.6 Ų | 157.6 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -59.3 | 79 | 173.3 | -125.2 | -19.6 | 0 | 0 | 0 | 110.3 | D224 K228 | D224-D226 PolarHBondContact O-N 3.1Å; D226-K228 PolarHBondContact O-N 2.89Å | ||
| 227 | Q | 42.6 | Very low | 47.2 | Very low | 181 Ų | 181 | 156.7 Ų | 156.7 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -67.2 | 78.3 | 163.2 | -73.7 | -166 | 14.4 | 0 | 0 | 107.5 | G225 K229 | G225-Q227 PolarHBondContact O-N 3.21Å; Q227-K229 PolarHBondContact O-N 3.14Å | ||
| 228 | K | 46 | Very low | 50.4 | Low | 177 Ų | 177 | 153.9 Ų | 153.9 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | -57.3 | 91.5 | 162.6 | -161 | -179.5 | -144.8 | 149.6 | 0 | 106.2 | D226 K230 | D226-K228 PolarHBondContact O-N 2.89Å; K228-K230 VanDerWaalsContact C-N 3.31Å; K228-K230 PolarHBondContact O-N 3.41Å | ||
| 229 | K | 45.8 | Very low | 53.3 | Low | 196 Ų | 196 | 142.6 Ų | 142.6 | 85% | 0.852 | 71% | 0.714 | S | S | * | * | trans | -43 | 99.7 | 172.3 | -84.6 | 178.1 | 175.8 | 171.5 | 0 | 107.1 | Q227 K231 | Q227-K229 PolarHBondContact O-N 3.14Å; K229-K231 VanDerWaalsContact C-N 3.34Å; K229-K231 PolarHBondContact O-N 3.39Å | ||
| 230 | K | 46.9 | Very low | 56.2 | Low | 204 Ų | 204 | 136.2 Ų | 136.2 | 89% | 0.887 | 68% | 0.675 | S | S | * | * | trans | -52.4 | 110.7 | 164.4 | -98.4 | -180 | 175.6 | 174.8 | 0 | 103 | K228 K232 | K228-K230 VanDerWaalsContact C-N 3.31Å; K228-K230 PolarHBondContact O-N 3.41Å; K230-K232 PolarHBondContact O-N 3.23Å | ||
| 231 | K | 42.5 | Very low | 59.1 | Low | 198 Ų | 198 | 129.4 Ų | 129.4 | 86% | 0.861 | 64% | 0.638 | S | S | * | * | trans | -48.5 | 108.9 | 170.7 | -172.5 | -178.3 | -177.3 | -172.8 | 0 | 104.2 | K229 E233 | K229-K231 VanDerWaalsContact C-N 3.34Å; K229-K231 PolarHBondContact O-N 3.39Å; K231-E233 PolarHBondContact O-N 2.65Å | ||
| 232 | K | 45.6 | Very low | 62 | Low | 202 Ų | 202 | 123.5 Ų | 123.5 | 88% | 0.878 | 60% | 0.597 | S | S | * | * | trans | -51.6 | 101.6 | 175.8 | -115.8 | -176.7 | 177.4 | -176.3 | 0 | 104.1 | K230 S234 | K230-K232 PolarHBondContact O-N 3.23Å; K232-S234 PolarHBondContact O-N 3Å | ||
| 233 | E | 46.4 | Very low | 64.6 | Low | 179 Ų | 179 | 114.9 Ų | 114.9 | 84% | 0.836 | 56% | 0.557 | S | S | * | * | trans | -69 | 97.7 | 175.2 | -165.1 | 163.1 | -141 | 0 | 0 | 102 | K231 Q235 | K231-E233 PolarHBondContact O-N 2.65Å; E233-Q235 VanDerWaalsContact C-N 3.28Å; E233-Q235 PolarHBondContact O-N 2.91Å | ||
| 234 | S | 56.8 | Low | 67.3 | Low | 108 Ų | 108 | 105.8 Ų | 105.8 | 76% | 0.755 | 52% | 0.515 | S | S | * | . | trans | -58.2 | 101.8 | -177.9 | 55.2 | 0 | 0 | 0 | 0 | 105.7 | K232 R236 | K232-S234 PolarHBondContact O-N 3Å; S234-R236 PolarHBondContact O-N 3.34Å | ||
| 235 | Q | 76.1 | Confident | 70.2 | Confident | 93 Ų | 93 | 98.6 Ų | 98.6 | 44% | 0.435 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -61 | 116.1 | -178.1 | -70.9 | -170.6 | -23.4 | 0 | 0 | 106.2 | E233 H286 | E233-Q235 VanDerWaalsContact C-N 3.28Å; E233-Q235 PolarHBondContact O-N 2.91Å; Q235-H286 HydrophobicContact CB-CB 4.04Å; Q235-H286 VanDerWaalsContact CD-CE1 3.46Å; Q235-H286 PolarHBondContact OE1-CE1 3.26Å; Q235-H286 PolarHBondContact OE1-ND1 3.48Å |
| 236 | R | 85.4 | Confident | 72.9 | Confident | 206 Ų | 206 | 98 Ų | 98 | 78% | 0.777 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 130.6 | -175.9 | 179.4 | -179.6 | 176.6 | -170.8 | -3.8 | 107.2 | S234 N238 H286 | S234-R236 PolarHBondContact O-N 3.34Å; R236-N238 PolarHBondContact O-N 3.39Å; R236-H286 PolarHBondContact O-CD2 2.9Å |
| 237 | P | 91.6 | Very high | 75.5 | Confident | 56 Ų | 56 | 92.6 Ų | 92.6 | 36% | 0.364 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -53 | 135.9 | 177.5 | -25.9 | 33.6 | 0 | 0 | 0 | 111.6 | V284 T285 M417 | P237-V284 HydrophobicContact CB-CB 4.18Å; P237-V284 HydrophobicContact CG-CB 4.47Å; P237-V284 HydrophobicContact CG-CG2 4.45Å; P237-T285 WeakPolarHBondContact CA-O 3.4Å; P237-M417 HydrophobicContact CB-CE 4.17Å |
| 238 | N | 95.1 | Very high | 78 | Confident | 22 Ų | 22 | 87.5 Ų | 87.5 | 12% | 0.118 | 42% | 0.421 | C | S | . | . | trans | -123.9 | -13.2 | 177.9 | 64.9 | -16.4 | 0 | 0 | 0 | 112.6 | R236 T285 H286 L287 M417 L418 | R236-N238 PolarHBondContact O-N 3.39Å; N238-T285 PolarHBondContact N-O 3.03Å; N238-T285 PolarHBondContact OD1-O 3.45Å; N238-H286 WeakPolarHBondContact OD1-CA 3.39Å; N238-L287 PolarHBondContact ND2-O 2.91Å; N238-L287 PolarHBondContact OD1-N 2.87Å; N238-M417 WeakPolarHBondContact O-CB 3.36Å; N238-M417 WeakPolarHBondContact O-CG 3.45Å; N238-M417 PolarHBondContact O-N 3.25Å; N238-L418 HydrophobicContact CB-CD1 3.91Å; N238-L418 HydrophobicContact CB-CG 4.37Å | ||
| 239 | Y | 96.3 | Very high | 80.4 | Confident | 8 Ų | 8 | 84.4 Ų | 84.4 | 3% | 0.031 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 155.9 | 176.6 | -79.5 | -87.4 | 0 | 0 | 0 | 111.3 | T285 L287 I293 L414 C415 K419 E430 | Y239-T285 PolarHBondContact N-O 3.44Å; Y239-T285 PolarHBondContact O-N 3.37Å; Y239-T285 VanDerWaalsContact O-O 3.04Å; Y239-L287 HydrophobicContact CD1-CD1 4.16Å; Y239-L287 HydrophobicContact CD2-CB 3.7Å; Y239-L287 HydrophobicContact CD2-CD1 3.73Å; Y239-L287 HydrophobicContact CD2-CG 3.8Å; Y239-L287 HydrophobicContact CE2-CB 4.14Å; Y239-L287 HydrophobicContact CE2-CD1 4.37Å; Y239-L287 HydrophobicContact CG-CB 4.45Å; Y239-L287 HydrophobicContact CG-CD1 3.64Å; Y239-L287 HydrophobicContact CG-CG 4.06Å; Y239-I293 HydrophobicContact CE2-CD1 3.96Å; Y239-I293 HydrophobicContact CE2-CG1 4.01Å; Y239-I293 VanDerWaalsContact OH-CD1 3.27Å; Y239-I293 WeakPolarHBondContact OH-CD1 3.49Å; Y239-L414 HydrophobicContact CD1-CD1 4.45Å; Y239-C415 WeakPolarHBondContact CA-O 3.33Å; Y239-C415 VanDerWaalsContact CD1-O 3.28Å; Y239-C415 WeakPolarHBondContact CD1-O 3.47Å; Y239-K419 WeakPolarHBondContact OH-CE 3.47Å; Y239-E430 HydrophobicContact CD1-CG 4.33Å; Y239-E430 HydrophobicContact CE1-CG 3.58Å; Y239-E430 WeakPolarHBondContact CE1-OE1 3.33Å; Y239-E430 PolarHBondContact OH-OE1 3.47Å |
| 240 | F | 96.2 | Very high | 82.8 | Confident | 5 Ų | 5 | 75 Ų | 75 | 2% | 0.022 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 151.5 | 176.2 | 62.8 | -75.7 | 0 | 0 | 0 | 111.5 | H279 T281 L283 V284 C415 M417 Y427 | F240-H279 AromaticContact CD2-NE2 3.97Å; F240-H279 AromaticContact CE2-CD2 3.53Å; F240-H279 AromaticContact CE2-CE1 3.95Å; F240-H279 AromaticContact CE2-NE2 3.32Å; F240-H279 VanDerWaalsContact CE2-NE2 3.32Å; F240-H279 WeakPolarHBondContact CE2-NE2 3.38Å; F240-H279 AromaticContact CZ-NE2 3.97Å; F240-T281 HydrophobicContact CB-CG2 4.02Å; F240-T281 HydrophobicContact CD2-CG2 4.17Å; F240-T281 HydrophobicContact CG-CG2 4.47Å; F240-L283 CarbonylContact C-O 3.46Å; F240-L283 WeakPolarHBondContact CA-O 3.24Å; F240-L283 WeakPolarHBondContact CB-O 3.47Å; F240-V284 HydrophobicContact CB-CG1 4.13Å; F240-C415 HydrophobicContact CD1-CB 4.16Å; F240-C415 WeakPolarHBondContact CD1-O 3.25Å; F240-C415 HydrophobicContact CD2-CB 4.36Å; F240-C415 HydrophobicContact CE1-CB 3.66Å; F240-C415 HydrophobicContact CE2-CB 3.88Å; F240-C415 HydrophobicContact CG-CB 4.49Å; F240-C415 HydrophobicContact CZ-CB 3.51Å; F240-C415 PolarHBondContact N-O 2.98Å; F240-C415 PolarHBondContact O-N 3.01Å; F240-M417 HydrophobicContact CB-CE 3.78Å; F240-M417 HydrophobicContact CD1-CE 3.57Å; F240-M417 HydrophobicContact CD1-CG 3.45Å; F240-M417 VanDerWaalsContact CD1-CG 3.45Å; F240-M417 HydrophobicContact CD1-SD 4.39Å; F240-M417 HydrophobicContact CE1-CE 4.49Å; F240-M417 HydrophobicContact CE1-CG 3.65Å; F240-M417 HydrophobicContact CG-CE 3.97Å; F240-Y427 HydrophobicContact CE1-CD1 4.02Å; F240-Y427 HydrophobicContact CE1-CE1 4.21Å; F240-Y427 HydrophobicContact CE1-CG 4.31Å; F240-Y427 AromaticContact CZ-CD1 3.8Å; F240-Y427 HydrophobicContact CZ-CD1 3.8Å; F240-Y427 AromaticContact CZ-CD2 3.8Å; F240-Y427 HydrophobicContact CZ-CD2 3.8Å; F240-Y427 AromaticContact CZ-CE1 3.97Å; F240-Y427 HydrophobicContact CZ-CE1 3.97Å; F240-Y427 AromaticContact CZ-CE2 3.99Å; F240-Y427 HydrophobicContact CZ-CE2 3.99Å; F240-Y427 AromaticContact CZ-CG 3.7Å; F240-Y427 HydrophobicContact CZ-CG 3.7Å |
| 241 | V | 96.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 131.2 | 169.3 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | L282 L283 L300 V351 F355 L412 D413 L414 | V241-L282 HydrophobicContact CB-CB 4.41Å; V241-L282 HydrophobicContact CG1-CB 4.41Å; V241-L282 HydrophobicContact CG1-CD1 4.3Å; V241-L282 PolarHBondContact O-N 3.39Å; V241-L283 HydrophobicContact CB-CB 4.21Å; V241-L283 HydrophobicContact CG2-CB 4.29Å; V241-L283 HydrophobicContact CG2-CD2 4.47Å; V241-L283 PolarHBondContact N-O 2.87Å; V241-L300 HydrophobicContact CG1-CD1 4.37Å; V241-V351 HydrophobicContact CB-CG1 4.46Å; V241-V351 HydrophobicContact CG1-CG1 4.35Å; V241-V351 HydrophobicContact CG2-CG1 4.11Å; V241-F355 HydrophobicContact CG2-CE1 4.48Å; V241-F355 HydrophobicContact CG2-CE2 4.4Å; V241-F355 HydrophobicContact CG2-CZ 3.96Å; V241-L412 HydrophobicContact CG1-CB 4.19Å; V241-D413 CarbonylContact C-O 3.55Å; V241-D413 WeakPolarHBondContact CA-O 3.48Å; V241-L414 HydrophobicContact CG2-CD1 4.2Å |
| 242 | S | 97.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 147.9 | -171.9 | 67.3 | 0 | 0 | 0 | 0 | 113.1 | I280 L412 D413 C415 Y426 | S242-I280 CarbonylContact C-O 3.55Å; S242-I280 VanDerWaalsContact CA-O 3.28Å; S242-I280 WeakPolarHBondContact CA-O 3.35Å; S242-L412 CarbonylContact O-C 3.45Å; S242-L412 WeakPolarHBondContact O-CA 3.47Å; S242-D413 PolarHBondContact N-O 3.22Å; S242-D413 PolarHBondContact O-N 3.05Å; S242-D413 PolarHBondContact OG-O 3.48Å; S242-C415 PolarHBondContact OG-SG 2.78Å; S242-Y426 PolarHBondContact OG-OH 2.81Å |
| 243 | I | 97.2 | Very high | 90 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 111.2 | 163.6 | -62.5 | 167.2 | 0 | 0 | 0 | 106.6 | H279 I280 L282 L318 L344 V409 L412 | I243-H279 CarbonylContact O-C 3.53Å; I243-H279 WeakPolarHBondContact O-CA 3.41Å; I243-H279 WeakPolarHBondContact O-CB 3.39Å; I243-I280 HydrophobicContact CB-CB 4.21Å; I243-I280 PolarHBondContact N-O 3.02Å; I243-I280 PolarHBondContact O-N 3.09Å; I243-L282 HydrophobicContact CD1-CD1 4.03Å; I243-L282 HydrophobicContact CD1-CD2 3.78Å; I243-L282 HydrophobicContact CD1-CG 3.99Å; I243-L282 HydrophobicContact CG1-CD1 3.99Å; I243-L282 HydrophobicContact CG1-CD2 4.42Å; I243-L282 HydrophobicContact CG1-CG 4.08Å; I243-L318 HydrophobicContact CD1-CD1 4.33Å; I243-L344 HydrophobicContact CD1-CD1 3.69Å; I243-V409 HydrophobicContact CD1-CG1 4.03Å; I243-V409 HydrophobicContact CD1-CG2 4.25Å; I243-V409 HydrophobicContact CG1-CG1 4.02Å; I243-V409 HydrophobicContact CG2-CB 4.44Å; I243-V409 HydrophobicContact CG2-CG1 3.83Å; I243-V409 HydrophobicContact CG2-CG2 4.14Å; I243-L412 HydrophobicContact CD1-CD2 4.26Å; I243-L412 HydrophobicContact CG1-CD2 3.51Å |
| 244 | P | 96.6 | Very high | 92.4 | Very high | 9 Ų | 9 | 45.6 Ų | 45.6 | 6% | 0.058 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 146 | 175.9 | 29.2 | -34.3 | 0 | 0 | 0 | 110.7 | R411 D413 Y426 | P244-R411 WeakPolarHBondContact CD-O 3.28Å; P244-R411 HydrophobicContact CG-CG 3.69Å; P244-D413 WeakPolarHBondContact CG-OD2 3.47Å; P244-Y426 HydrophobicContact CB-CE1 4.46Å; P244-Y426 HydrophobicContact CB-CE2 4.26Å |
| 245 | I | 96.4 | Very high | 94.3 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | trans | -83.8 | 117.7 | 169.8 | -55.8 | -52.9 | 0 | 0 | 0 | 108.1 | I250 K251 L278 I280 F320 L372 Q407 | I245-I250 HydrophobicContact CG2-CB 4.11Å; I245-I250 HydrophobicContact CG2-CG2 3.89Å; I245-K251 HydrophobicContact CG2-CG 4.26Å; I245-K251 WeakPolarHBondContact O-CE 3.36Å; I245-K251 PolarHBondContact O-NZ 2.94Å; I245-L278 HydrophobicContact CB-CB 4.21Å; I245-L278 HydrophobicContact CG1-CB 4Å; I245-L278 PolarHBondContact N-O 3.44Å; I245-I280 HydrophobicContact CD1-CG1 4.39Å; I245-F320 HydrophobicContact CD1-CE2 3.85Å; I245-F320 HydrophobicContact CD1-CZ 3.82Å; I245-L372 HydrophobicContact CD1-CD1 4.1Å; I245-L372 HydrophobicContact CD1-CD2 4.49Å; I245-L372 HydrophobicContact CG1-CD1 3.67Å; I245-L372 HydrophobicContact CG1-CD2 4.38Å; I245-Q407 HydrophobicContact CD1-CG 3.99Å | ||
| 246 | T | 94.1 | Very high | 95.2 | Very high | 49 Ų | 49 | 44.6 Ų | 44.6 | 30% | 0.301 | 23% | 0.23 | S | C | . | . | trans | -98.8 | -34.9 | 178.3 | 62.2 | 0 | 0 | 0 | 0 | 111.7 | A248 Q407 E410 | T246-A248 PolarHBondContact O-N 3.45Å; T246-Q407 PolarHBondContact OG1-NE2 3.44Å; T246-E410 PolarHBondContact OG1-OE1 2.87Å | ||
| 247 | N | 95.1 | Very high | 95.7 | Very high | 46 Ų | 46 | 34.9 Ų | 34.9 | 25% | 0.246 | 19% | 0.193 | C | C | . | . | trans | -62.8 | 122.3 | -176 | -173.3 | -22.9 | 0 | 0 | 0 | 111.8 | E249 I250 K251 N406 | N247-E249 VanDerWaalsContact OD1-CB 3.27Å; N247-E249 WeakPolarHBondContact OD1-CB 3.3Å; N247-E249 PolarHBondContact OD1-N 2.81Å; N247-I250 HydrophobicContact CB-CD1 3.95Å; N247-I250 HydrophobicContact CB-CG1 4.19Å; N247-K251 PolarHBondContact O-N 3.3Å; N247-N406 PolarHBondContact ND2-O 3.44Å | ||
| 248 | A | 95.1 | Very high | 95.9 | Very high | 74 Ų | 74 | 33 Ų | 33 | 61% | 0.612 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -68.8 | -30.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | T246 K251 S252 | T246-A248 PolarHBondContact O-N 3.45Å; A248-K251 PolarHBondContact O-N 2.84Å; A248-S252 WeakPolarHBondContact O-CB 3.39Å; A248-S252 PolarHBondContact O-N 3.4Å |
| 249 | E | 94.9 | Very high | 95.9 | Very high | 111 Ų | 111 | 36.4 Ų | 36.4 | 52% | 0.519 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.8 | -49.3 | 177.2 | -172.6 | -176.6 | -178.1 | 0 | 0 | 110.6 | N247 K251 S252 L253 | N247-E249 VanDerWaalsContact OD1-CB 3.27Å; N247-E249 WeakPolarHBondContact OD1-CB 3.3Å; N247-E249 PolarHBondContact OD1-N 2.81Å; E249-K251 VanDerWaalsContact C-N 3.31Å; E249-K251 PolarHBondContact O-N 3.43Å; E249-S252 WeakPolarHBondContact O-CB 3.34Å; E249-S252 PolarHBondContact O-N 3.15Å; E249-S252 VanDerWaalsContact O-N 3.14Å; E249-L253 HydrophobicContact CG-CD1 4.21Å; E249-L253 WeakPolarHBondContact O-CG 3.37Å; E249-L253 PolarHBondContact O-N 2.85Å |
| 250 | I | 95.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.2 | -45.8 | 176.3 | -61.8 | 173.6 | 0 | 0 | 0 | 110.1 | I245 N247 S252 L253 V254 F320 L372 F404 Q407 | I245-I250 HydrophobicContact CG2-CB 4.11Å; I245-I250 HydrophobicContact CG2-CG2 3.89Å; N247-I250 HydrophobicContact CB-CD1 3.95Å; N247-I250 HydrophobicContact CB-CG1 4.19Å; I250-S252 VanDerWaalsContact C-N 3.34Å; I250-S252 PolarHBondContact O-N 3.33Å; I250-L253 PolarHBondContact O-N 3.16Å; I250-V254 HydrophobicContact CG2-CG2 4.33Å; I250-V254 WeakPolarHBondContact O-CB 3.5Å; I250-V254 VanDerWaalsContact O-CG2 3.25Å; I250-V254 WeakPolarHBondContact O-CG2 3.4Å; I250-V254 PolarHBondContact O-N 3.01Å; I250-F320 HydrophobicContact CD1-CD2 3.71Å; I250-F320 HydrophobicContact CD1-CE2 4.19Å; I250-L372 HydrophobicContact CG2-CD2 3.77Å; I250-F404 VanDerWaalsContact CG1-O 3.27Å; I250-F404 WeakPolarHBondContact CG1-O 3.24Å; I250-Q407 HydrophobicContact CD1-CB 3.72Å |
| 251 | K | 96.3 | Very high | 95.7 | Very high | 63 Ų | 63 | 36.4 Ų | 36.4 | 27% | 0.274 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.6 | -42.7 | 177.8 | -74.1 | 175.5 | 179.1 | 164.3 | 0 | 112.1 | I245 N247 A248 E249 K255 V275 L278 | I245-K251 HydrophobicContact CG2-CG 4.26Å; I245-K251 WeakPolarHBondContact O-CE 3.36Å; I245-K251 PolarHBondContact O-NZ 2.94Å; N247-K251 PolarHBondContact O-N 3.3Å; A248-K251 PolarHBondContact O-N 2.84Å; E249-K251 VanDerWaalsContact C-N 3.31Å; E249-K251 PolarHBondContact O-N 3.43Å; K251-K255 WeakPolarHBondContact O-CB 3.3Å; K251-K255 PolarHBondContact O-N 3.34Å; K251-V275 HydrophobicContact CB-CG1 3.68Å; K251-V275 HydrophobicContact CD-CG1 4.4Å; K251-V275 HydrophobicContact CG-CG1 3.93Å; K251-L278 HydrophobicContact CG-CD1 4.4Å |
| 252 | S | 96.5 | Very high | 95.6 | Very high | 76 Ų | 76 | 38.8 Ų | 38.8 | 53% | 0.531 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.6 | -47.7 | 178.8 | -169.9 | 0 | 0 | 0 | 0 | 111.3 | A248 E249 I250 V254 K255 E256 | A248-S252 WeakPolarHBondContact O-CB 3.39Å; A248-S252 PolarHBondContact O-N 3.4Å; E249-S252 WeakPolarHBondContact O-CB 3.34Å; E249-S252 PolarHBondContact O-N 3.15Å; E249-S252 VanDerWaalsContact O-N 3.14Å; I250-S252 VanDerWaalsContact C-N 3.34Å; I250-S252 PolarHBondContact O-N 3.33Å; S252-V254 PolarHBondContact O-N 2.91Å; S252-K255 WeakPolarHBondContact O-CB 3.37Å; S252-K255 PolarHBondContact O-N 3.1Å; S252-K255 VanDerWaalsContact O-N 3.14Å; S252-E256 PolarHBondContact O-N 3.33Å |
| 253 | L | 95.4 | Very high | 95.5 | Very high | 25 Ų | 25 | 48.5 Ų | 48.5 | 13% | 0.131 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.4 | -38.7 | 178.8 | -69.5 | 176.9 | 0 | 0 | 0 | 112.4 | E249 I250 K255 E256 V257 F404 | E249-L253 HydrophobicContact CG-CD1 4.21Å; E249-L253 WeakPolarHBondContact O-CG 3.37Å; E249-L253 PolarHBondContact O-N 2.85Å; I250-L253 PolarHBondContact O-N 3.16Å; L253-K255 VanDerWaalsContact C-N 3.29Å; L253-K255 PolarHBondContact O-N 2.96Å; L253-E256 VanDerWaalsContact CD2-OE2 3.31Å; L253-E256 WeakPolarHBondContact CD2-OE2 3.29Å; L253-E256 WeakPolarHBondContact O-CB 3.37Å; L253-E256 PolarHBondContact O-N 2.81Å; L253-V257 WeakPolarHBondContact O-CG2 3.25Å; L253-V257 PolarHBondContact O-N 3.44Å; L253-F404 HydrophobicContact CB-CD1 3.73Å; L253-F404 HydrophobicContact CB-CE1 4.19Å; L253-F404 WeakPolarHBondContact CD1-O 3.43Å |
| 254 | V | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 172.9 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | I250 S252 V257 Q258 L278 V333 L372 V374 F404 | I250-V254 HydrophobicContact CG2-CG2 4.33Å; I250-V254 WeakPolarHBondContact O-CB 3.5Å; I250-V254 VanDerWaalsContact O-CG2 3.25Å; I250-V254 WeakPolarHBondContact O-CG2 3.4Å; I250-V254 PolarHBondContact O-N 3.01Å; S252-V254 PolarHBondContact O-N 2.91Å; V254-V257 PolarHBondContact O-N 3.33Å; V254-Q258 VanDerWaalsContact O-CG 3.29Å; V254-Q258 WeakPolarHBondContact O-CG 3.22Å; V254-Q258 PolarHBondContact O-N 3.38Å; V254-L278 HydrophobicContact CB-CD1 3.98Å; V254-L278 HydrophobicContact CG1-CD1 3.72Å; V254-L278 HydrophobicContact CG1-CD2 4.06Å; V254-L278 HydrophobicContact CG2-CD1 4.31Å; V254-V333 HydrophobicContact CG2-CG2 4.37Å; V254-L372 HydrophobicContact CG2-CD2 4.22Å; V254-V374 HydrophobicContact CG1-CG1 4.16Å; V254-V374 HydrophobicContact CG1-CG2 4.13Å; V254-F404 HydrophobicContact CG2-CD1 4.09Å; V254-F404 HydrophobicContact CG2-CE1 4.25Å |
| 255 | K | 96.4 | Very high | 95.1 | Very high | 107 Ų | 107 | 55.7 Ų | 55.7 | 47% | 0.465 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 174.5 | -174.1 | -178.1 | 168.8 | -170.3 | 0 | 111.4 | K251 S252 L253 V257 Q258 E259 V275 | K251-K255 WeakPolarHBondContact O-CB 3.3Å; K251-K255 PolarHBondContact O-N 3.34Å; S252-K255 WeakPolarHBondContact O-CB 3.37Å; S252-K255 PolarHBondContact O-N 3.1Å; S252-K255 VanDerWaalsContact O-N 3.14Å; L253-K255 VanDerWaalsContact C-N 3.29Å; L253-K255 PolarHBondContact O-N 2.96Å; K255-V257 VanDerWaalsContact C-N 3.35Å; K255-V257 PolarHBondContact O-N 2.95Å; K255-Q258 WeakPolarHBondContact O-CB 3.22Å; K255-Q258 PolarHBondContact O-N 3.19Å; K255-Q258 VanDerWaalsContact O-N 3.13Å; K255-E259 WeakPolarHBondContact CE-OE1 3.33Å; K255-E259 IonicContact NZ-OE1 3.93Å; K255-E259 WeakPolarHBondContact O-CG 3.47Å; K255-E259 PolarHBondContact O-N 2.98Å; K255-V275 HydrophobicContact CB-CG2 3.99Å; K255-V275 HydrophobicContact CG-CG2 4.31Å |
| 256 | E | 95.7 | Very high | 94.9 | Very high | 73 Ų | 73 | 59.6 Ų | 59.6 | 34% | 0.341 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.5 | -47.6 | 175.5 | -169.3 | -154.8 | 139.1 | 0 | 0 | 111.2 | S252 L253 Q258 E259 A260 Y399 K402 | S252-E256 PolarHBondContact O-N 3.33Å; L253-E256 VanDerWaalsContact CD2-OE2 3.31Å; L253-E256 WeakPolarHBondContact CD2-OE2 3.29Å; L253-E256 WeakPolarHBondContact O-CB 3.37Å; L253-E256 PolarHBondContact O-N 2.81Å; E256-Q258 VanDerWaalsContact C-N 3.33Å; E256-Q258 PolarHBondContact O-N 3.43Å; E256-E259 PolarHBondContact O-N 3.47Å; E256-A260 WeakPolarHBondContact O-CB 3.45Å; E256-A260 PolarHBondContact O-N 3.17Å; E256-Y399 WeakPolarHBondContact OE1-CE1 3.43Å; E256-Y399 PolarHBondContact OE1-OH 2.87Å; E256-K402 IonicContact OE1-NZ 2.82Å; E256-K402 PolarHBondContact OE1-NZ 3.42Å; E256-K402 IonicContact OE2-NZ 3.94Å; E256-K402 PolarHBondContact OE2-NZ 3.13Å |
| 257 | V | 94.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 175.2 | 172 | 0 | 0 | 0 | 0 | 111.3 | L253 V254 K255 E259 A260 V261 I323 V374 Y399 F404 | L253-V257 WeakPolarHBondContact O-CG2 3.25Å; L253-V257 PolarHBondContact O-N 3.44Å; V254-V257 PolarHBondContact O-N 3.33Å; K255-V257 VanDerWaalsContact C-N 3.35Å; K255-V257 PolarHBondContact O-N 2.95Å; V257-E259 VanDerWaalsContact C-N 3.34Å; V257-E259 PolarHBondContact O-N 3.04Å; V257-A260 PolarHBondContact O-N 3.19Å; V257-V261 VanDerWaalsContact O-CG2 3.26Å; V257-V261 WeakPolarHBondContact O-CG2 3.43Å; V257-V261 PolarHBondContact O-N 2.86Å; V257-I323 HydrophobicContact CG1-CD1 3.72Å; V257-I323 HydrophobicContact CG2-CD1 4.22Å; V257-V374 HydrophobicContact CG1-CG1 4.39Å; V257-Y399 HydrophobicContact CG2-CD1 3.42Å; V257-Y399 VanDerWaalsContact CG2-CD1 3.42Å; V257-Y399 HydrophobicContact CG2-CD2 4.17Å; V257-Y399 HydrophobicContact CG2-CE1 3.75Å; V257-Y399 HydrophobicContact CG2-CE2 4.45Å; V257-Y399 HydrophobicContact CG2-CG 3.66Å; V257-F404 HydrophobicContact CG2-CE1 3.75Å; V257-F404 HydrophobicContact CG2-CZ 3.84Å |
| 258 | Q | 95.8 | Very high | 94.7 | Very high | 17 Ų | 17 | 62.3 Ų | 62.3 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 178.4 | -72.8 | 177.2 | -11.6 | 0 | 0 | 111.2 | V254 K255 E256 V261 L262 M272 I273 V374 | V254-Q258 VanDerWaalsContact O-CG 3.29Å; V254-Q258 WeakPolarHBondContact O-CG 3.22Å; V254-Q258 PolarHBondContact O-N 3.38Å; K255-Q258 WeakPolarHBondContact O-CB 3.22Å; K255-Q258 PolarHBondContact O-N 3.19Å; K255-Q258 VanDerWaalsContact O-N 3.13Å; E256-Q258 VanDerWaalsContact C-N 3.33Å; E256-Q258 PolarHBondContact O-N 3.43Å; Q258-V261 PolarHBondContact O-N 3.44Å; Q258-L262 WeakPolarHBondContact O-CB 3.35Å; Q258-L262 WeakPolarHBondContact O-CG 3.41Å; Q258-L262 PolarHBondContact O-N 2.71Å; Q258-M272 HydrophobicContact CB-SD 4.39Å; Q258-M272 HydrophobicContact CG-CG 4.49Å; Q258-M272 HydrophobicContact CG-SD 4.01Å; Q258-I273 PolarHBondContact NE2-O 2.88Å; Q258-V374 HydrophobicContact CG-CG1 3.72Å; Q258-V374 PolarHBondContact NE2-O 3.37Å; Q258-V374 VanDerWaalsContact NE2-O 3.12Å |
| 259 | E | 95.8 | Very high | 94.6 | Very high | 94 Ų | 94 | 61.4 Ų | 61.4 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 178.5 | -72 | 176 | -180 | 0 | 0 | 112.3 | K255 E256 V257 V261 L262 R263 | K255-E259 WeakPolarHBondContact CE-OE1 3.33Å; K255-E259 IonicContact NZ-OE1 3.93Å; K255-E259 WeakPolarHBondContact O-CG 3.47Å; K255-E259 PolarHBondContact O-N 2.98Å; E256-E259 PolarHBondContact O-N 3.47Å; V257-E259 VanDerWaalsContact C-N 3.34Å; V257-E259 PolarHBondContact O-N 3.04Å; E259-V261 PolarHBondContact O-N 2.96Å; E259-L262 PolarHBondContact O-N 2.73Å; E259-R263 WeakPolarHBondContact O-CB 3.39Å; E259-R263 PolarHBondContact O-N 2.74Å |
| 260 | A | 94.4 | Very high | 94.5 | Very high | 13 Ų | 13 | 63.7 Ų | 63.7 | 11% | 0.107 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60 | -44.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E256 V257 R263 Y399 | E256-A260 WeakPolarHBondContact O-CB 3.45Å; E256-A260 PolarHBondContact O-N 3.17Å; V257-A260 PolarHBondContact O-N 3.19Å; A260-R263 PolarHBondContact O-N 3.48Å; A260-Y399 HydrophobicContact CB-CE2 3.87Å |
| 261 | V | 93.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 176.2 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | V257 Q258 E259 R263 Q264 E265 L268 M272 M375 L395 | V257-V261 VanDerWaalsContact O-CG2 3.26Å; V257-V261 WeakPolarHBondContact O-CG2 3.43Å; V257-V261 PolarHBondContact O-N 2.86Å; Q258-V261 PolarHBondContact O-N 3.44Å; E259-V261 PolarHBondContact O-N 2.96Å; V261-R263 VanDerWaalsContact C-N 3.33Å; V261-R263 PolarHBondContact O-N 2.71Å; V261-Q264 PolarHBondContact O-N 3Å; V261-E265 PolarHBondContact O-N 3.21Å; V261-L268 HydrophobicContact CG1-CD1 3.72Å; V261-M272 HydrophobicContact CB-CE 3.81Å; V261-M272 HydrophobicContact CG1-CE 3.52Å; V261-M375 HydrophobicContact CB-CE 4.39Å; V261-M375 HydrophobicContact CG1-CE 4.04Å; V261-M375 HydrophobicContact CG2-CE 4.04Å; V261-L395 HydrophobicContact CG1-CB 4.29Å; V261-L395 HydrophobicContact CG1-CD1 4.29Å; V261-L395 HydrophobicContact CG2-CB 4.35Å; V261-L395 WeakPolarHBondContact CG2-O 3.27Å |
| 262 | L | 94.6 | Very high | 94.4 | Very high | 49 Ų | 49 | 61.4 Ų | 61.4 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.7 | -29.3 | -179.7 | -71.3 | 174.7 | 0 | 0 | 0 | 113.2 | Q258 E259 Q264 E265 P266 L268 A269 M272 | Q258-L262 WeakPolarHBondContact O-CB 3.35Å; Q258-L262 WeakPolarHBondContact O-CG 3.41Å; Q258-L262 PolarHBondContact O-N 2.71Å; E259-L262 PolarHBondContact O-N 2.73Å; L262-Q264 PolarHBondContact O-N 3.49Å; L262-E265 CarbonylContact O-C 3.52Å; L262-P266 WeakPolarHBondContact O-CA 3.4Å; L262-P266 WeakPolarHBondContact O-CD 3.36Å; L262-P266 WeakPolarHBondContact O-CG 3.48Å; L262-L268 HydrophobicContact CD2-CB 4.31Å; L262-A269 VanDerWaalsContact CD2-CA 3.45Å; L262-A269 HydrophobicContact CD2-CB 3.91Å; L262-A269 VanDerWaalsContact CD2-N 3.28Å; L262-M272 HydrophobicContact CD1-CG 4.22Å; L262-M272 HydrophobicContact CD2-CE 3.83Å; L262-M272 HydrophobicContact CD2-CG 4.15Å; L262-M272 HydrophobicContact CG-CE 3.87Å; L262-M272 HydrophobicContact CG-CG 4.32Å |
| 263 | R | 95 | Very high | 94.4 | Very high | 205 Ų | 205 | 58.5 Ų | 58.5 | 77% | 0.774 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.2 | -36.5 | 173.2 | -169.7 | 179.2 | -64.6 | 139.6 | 2 | 111.5 | E259 A260 V261 | E259-R263 WeakPolarHBondContact O-CB 3.39Å; E259-R263 PolarHBondContact O-N 2.74Å; A260-R263 PolarHBondContact O-N 3.48Å; V261-R263 VanDerWaalsContact C-N 3.33Å; V261-R263 PolarHBondContact O-N 2.71Å |
| 264 | Q | 93.2 | Very high | 94.3 | Very high | 107 Ų | 107 | 59.5 Ų | 59.5 | 50% | 0.5 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -84.4 | -43.5 | 179.1 | -63.2 | -179.1 | 59.8 | 0 | 0 | 112.5 | V261 L262 L395 | V261-Q264 PolarHBondContact O-N 3Å; L262-Q264 PolarHBondContact O-N 3.49Å; Q264-L395 HydrophobicContact CB-CD2 3.6Å; Q264-L395 HydrophobicContact CG-CD2 4.47Å |
| 265 | E | 92.4 | Very high | 94.3 | Very high | 53 Ų | 53 | 61 Ų | 61 | 25% | 0.248 | 29% | 0.293 | C | S | . | . | trans | -134.4 | 87.1 | -179.6 | -177.8 | 61.2 | -109.7 | 0 | 0 | 111.6 | V261 L262 R267 L268 I388 L395 | V261-E265 PolarHBondContact O-N 3.21Å; L262-E265 CarbonylContact O-C 3.52Å; E265-R267 PolarHBondContact O-N 2.95Å; E265-R267 VanDerWaalsContact O-N 3.13Å; E265-R267 WeakPolarHBondContact OE1-CB 3.2Å; E265-R267 WeakPolarHBondContact OE1-CD 3.43Å; E265-R267 WeakPolarHBondContact OE1-CG 3.34Å; E265-R267 IonicContact OE1-NE 3.95Å; E265-L268 HydrophobicContact CB-CD1 4.02Å; E265-L268 HydrophobicContact CB-CG 4.35Å; E265-L268 HydrophobicContact CG-CD1 3.89Å; E265-L268 HydrophobicContact CG-CG 3.78Å; E265-L268 PolarHBondContact O-N 3.19Å; E265-I388 HydrophobicContact CG-CD1 4.44Å; E265-L395 HydrophobicContact CB-CD1 4.38Å; E265-L395 HydrophobicContact CB-CD2 4.29Å | ||
| 266 | P | 93 | Very high | 94.2 | Very high | 87 Ų | 87 | 59 Ų | 59 | 57% | 0.565 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -62.3 | -23.4 | -177.2 | -24.7 | 33.1 | 0 | 0 | 0 | 114.1 | L262 L268 A269 | L262-P266 WeakPolarHBondContact O-CA 3.4Å; L262-P266 WeakPolarHBondContact O-CD 3.36Å; L262-P266 WeakPolarHBondContact O-CG 3.48Å; P266-L268 PolarHBondContact O-N 2.93Å; P266-L268 VanDerWaalsContact O-N 3.15Å; P266-A269 WeakPolarHBondContact O-CB 3.28Å; P266-A269 PolarHBondContact O-N 2.88Å |
| 267 | R | 91.8 | Very high | 94.3 | Very high | 152 Ų | 152 | 55.6 Ų | 55.6 | 57% | 0.574 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -63.7 | -22.3 | -179.3 | -58.9 | 175.7 | -177.9 | 167.8 | 1 | 111.9 | E265 A269 L383 I388 | E265-R267 PolarHBondContact O-N 2.95Å; E265-R267 VanDerWaalsContact O-N 3.13Å; E265-R267 WeakPolarHBondContact OE1-CB 3.2Å; E265-R267 WeakPolarHBondContact OE1-CD 3.43Å; E265-R267 WeakPolarHBondContact OE1-CG 3.34Å; E265-R267 IonicContact OE1-NE 3.95Å; R267-A269 PolarHBondContact O-N 3.42Å; R267-L383 HydrophobicContact CB-CD2 4.12Å; R267-L383 WeakPolarHBondContact O-CD2 3.08Å; R267-I388 HydrophobicContact CB-CD1 4.06Å |
| 268 | L | 92.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -72.7 | -6 | 178.5 | -68 | 174 | 0 | 0 | 0 | 114.1 | V261 L262 E265 P266 K270 A271 M272 L377 L383 I388 V391 L395 | V261-L268 HydrophobicContact CG1-CD1 3.72Å; L262-L268 HydrophobicContact CD2-CB 4.31Å; E265-L268 HydrophobicContact CB-CD1 4.02Å; E265-L268 HydrophobicContact CB-CG 4.35Å; E265-L268 HydrophobicContact CG-CD1 3.89Å; E265-L268 HydrophobicContact CG-CG 3.78Å; E265-L268 PolarHBondContact O-N 3.19Å; P266-L268 PolarHBondContact O-N 2.93Å; P266-L268 VanDerWaalsContact O-N 3.15Å; L268-K270 PolarHBondContact O-N 2.95Å; L268-K270 VanDerWaalsContact O-N 3.09Å; L268-A271 WeakPolarHBondContact O-CA 3.39Å; L268-A271 WeakPolarHBondContact O-CB 3.43Å; L268-A271 PolarHBondContact O-N 3.47Å; L268-M272 HydrophobicContact CB-CE 4.1Å; L268-M272 PolarHBondContact O-N 3.11Å; L268-L377 HydrophobicContact CD2-CD2 3.74Å; L268-L383 HydrophobicContact CD2-CD1 4.05Å; L268-I388 HydrophobicContact CD2-CG2 4.23Å; L268-V391 HydrophobicContact CD1-CG1 4.46Å; L268-L395 HydrophobicContact CD1-CD1 3.8Å |
| 269 | A | 92.9 | Very high | 94.4 | Very high | 55 Ų | 55 | 56 Ų | 56 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -48.9 | -42.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L262 P266 R267 A271 M272 | L262-A269 VanDerWaalsContact CD2-CA 3.45Å; L262-A269 HydrophobicContact CD2-CB 3.91Å; L262-A269 VanDerWaalsContact CD2-N 3.28Å; P266-A269 WeakPolarHBondContact O-CB 3.28Å; P266-A269 PolarHBondContact O-N 2.88Å; R267-A269 PolarHBondContact O-N 3.42Å; A269-A271 PolarHBondContact O-N 2.93Å; A269-M272 PolarHBondContact O-N 2.94Å |
| 270 | K | 92.7 | Very high | 94.5 | Very high | 158 Ų | 158 | 51.6 Ų | 51.6 | 69% | 0.687 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -72.3 | -14.7 | 179.8 | -66.9 | -177.8 | -179.8 | 176.3 | 0 | 114 | L268 A380 | L268-K270 PolarHBondContact O-N 2.95Å; L268-K270 VanDerWaalsContact O-N 3.09Å; K270-A380 HydrophobicContact CB-CB 3.75Å |
| 271 | A | 94.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -90.2 | -20.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L268 A269 M375 K376 L377 A380 L383 | L268-A271 WeakPolarHBondContact O-CA 3.39Å; L268-A271 WeakPolarHBondContact O-CB 3.43Å; L268-A271 PolarHBondContact O-N 3.47Å; A269-A271 PolarHBondContact O-N 2.93Å; A271-M375 WeakPolarHBondContact O-CA 3.43Å; A271-K376 PolarHBondContact O-N 3.33Å; A271-L377 HydrophobicContact CB-CD2 4.16Å; A271-A380 HydrophobicContact CB-CB 4.23Å; A271-L383 HydrophobicContact CB-CD1 4.38Å |
| 272 | M | 95.3 | Very high | 94.6 | Very high | 16 Ų | 16 | 53.4 Ų | 53.4 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -66.7 | 132.1 | -178.3 | -61.8 | -51.7 | -177.9 | 0 | 0 | 112.1 | Q258 V261 L262 L268 A269 M375 R379 | Q258-M272 HydrophobicContact CB-SD 4.39Å; Q258-M272 HydrophobicContact CG-CG 4.49Å; Q258-M272 HydrophobicContact CG-SD 4.01Å; V261-M272 HydrophobicContact CB-CE 3.81Å; V261-M272 HydrophobicContact CG1-CE 3.52Å; L262-M272 HydrophobicContact CD1-CG 4.22Å; L262-M272 HydrophobicContact CD2-CE 3.83Å; L262-M272 HydrophobicContact CD2-CG 4.15Å; L262-M272 HydrophobicContact CG-CE 3.87Å; L262-M272 HydrophobicContact CG-CG 4.32Å; L268-M272 HydrophobicContact CB-CE 4.1Å; L268-M272 PolarHBondContact O-N 3.11Å; A269-M272 PolarHBondContact O-N 2.94Å; M272-M375 HydrophobicContact CE-CE 3.82Å; M272-M375 HydrophobicContact CE-SD 4.33Å; M272-M375 HydrophobicContact SD-CB 3.65Å; M272-M375 HydrophobicContact SD-CE 3.95Å; M272-M375 HydrophobicContact SD-CG 4.46Å; M272-M375 HydrophobicContact SD-SD 4.31Å; M272-R379 PolarHBondContact O-NH1 3.36Å |
| 273 | I | 95.9 | Very high | 94.5 | Very high | 14 Ų | 14 | 51.9 Ų | 51.9 | 7% | 0.072 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 125.1 | 174.1 | -56.9 | -49.9 | 0 | 0 | 0 | 108.9 | Q258 V275 T277 L278 T373 V374 K376 | Q258-I273 PolarHBondContact NE2-O 2.88Å; I273-V275 PolarHBondContact O-N 3.37Å; I273-T277 WeakPolarHBondContact CG2-OG1 3.31Å; I273-L278 HydrophobicContact CG2-CD2 4.32Å; I273-T373 HydrophobicContact CD1-CG2 4.34Å; I273-T373 HydrophobicContact CG1-CG2 3.8Å; I273-V374 WeakPolarHBondContact CB-O 3.25Å; I273-V374 WeakPolarHBondContact CG1-O 3.44Å; I273-V374 PolarHBondContact N-O 3.26Å; I273-K376 HydrophobicContact CD1-CB 4.21Å |
| 274 | P | 95.3 | Very high | 94.4 | Very high | 47 Ų | 47 | 45.5 Ų | 45.5 | 31% | 0.305 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -55.5 | 132.9 | 175.3 | -25 | 33.5 | 0 | 0 | 0 | 111 | P276 T277 | P274-P276 VanDerWaalsContact C-N 3.28Å; P274-T277 WeakPolarHBondContact CD-OG1 3.14Å; P274-T277 PolarHBondContact O-N 3.11Å; P274-T277 PolarHBondContact O-OG1 3.39Å |
| 275 | V | 95.4 | Very high | 94.4 | Very high | 30 Ų | 30 | 40.7 Ų | 40.7 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -51.1 | -40.3 | -180 | -179.1 | 0 | 0 | 0 | 0 | 112.9 | K251 K255 I273 T277 L278 | K251-V275 HydrophobicContact CB-CG1 3.68Å; K251-V275 HydrophobicContact CD-CG1 4.4Å; K251-V275 HydrophobicContact CG-CG1 3.93Å; K255-V275 HydrophobicContact CB-CG2 3.99Å; K255-V275 HydrophobicContact CG-CG2 4.31Å; I273-V275 PolarHBondContact O-N 3.37Å; V275-T277 PolarHBondContact O-N 3.29Å; V275-T277 VanDerWaalsContact O-N 3.13Å; V275-L278 HydrophobicContact CB-CD1 4.45Å; V275-L278 HydrophobicContact CG1-CD1 4.01Å; V275-L278 WeakPolarHBondContact O-CB 3.48Å; V275-L278 WeakPolarHBondContact O-CD1 3.38Å; V275-L278 VanDerWaalsContact O-CG 3.24Å; V275-L278 WeakPolarHBondContact O-CG 3.48Å; V275-L278 PolarHBondContact O-N 3.49Å |
| 276 | P | 94.9 | Very high | 94.4 | Very high | 66 Ų | 66 | 40.7 Ų | 40.7 | 43% | 0.429 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -64.1 | -19.5 | 177.2 | -23.2 | 34.6 | 0 | 0 | 0 | 114.3 | P274 D424 Y426 | P274-P276 VanDerWaalsContact C-N 3.28Å; P276-D424 VanDerWaalsContact CB-O 3.26Å; P276-D424 WeakPolarHBondContact CB-O 3.31Å; P276-Y426 VanDerWaalsContact O-CD2 3.27Å; P276-Y426 WeakPolarHBondContact O-CD2 3.44Å |
| 277 | T | 95.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -96.6 | 8.6 | -179.8 | 50.7 | 0 | 0 | 0 | 0 | 115.3 | I273 P274 V275 H279 K421 G425 Y427 | I273-T277 WeakPolarHBondContact CG2-OG1 3.31Å; P274-T277 WeakPolarHBondContact CD-OG1 3.14Å; P274-T277 PolarHBondContact O-N 3.11Å; P274-T277 PolarHBondContact O-OG1 3.39Å; V275-T277 PolarHBondContact O-N 3.29Å; V275-T277 VanDerWaalsContact O-N 3.13Å; T277-H279 PolarHBondContact O-N 3.14Å; T277-H279 PolarHBondContact O-ND1 3.23Å; T277-K421 HydrophobicContact CG2-CD 4.23Å; T277-G425 WeakPolarHBondContact CG2-O 3.43Å; T277-Y427 HydrophobicContact CG2-CD2 4.13Å; T277-Y427 HydrophobicContact CG2-CE2 3.85Å |
| 278 | L | 96.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | trans | -63.1 | 126.7 | 177.3 | -71.3 | 176.5 | 0 | 0 | 0 | 110.5 | I245 K251 V254 I273 V275 L372 T373 | I245-L278 HydrophobicContact CB-CB 4.21Å; I245-L278 HydrophobicContact CG1-CB 4Å; I245-L278 PolarHBondContact N-O 3.44Å; K251-L278 HydrophobicContact CG-CD1 4.4Å; V254-L278 HydrophobicContact CB-CD1 3.98Å; V254-L278 HydrophobicContact CG1-CD1 3.72Å; V254-L278 HydrophobicContact CG1-CD2 4.06Å; V254-L278 HydrophobicContact CG2-CD1 4.31Å; I273-L278 HydrophobicContact CG2-CD2 4.32Å; V275-L278 HydrophobicContact CB-CD1 4.45Å; V275-L278 HydrophobicContact CG1-CD1 4.01Å; V275-L278 WeakPolarHBondContact O-CB 3.48Å; V275-L278 WeakPolarHBondContact O-CD1 3.38Å; V275-L278 VanDerWaalsContact O-CG 3.24Å; V275-L278 WeakPolarHBondContact O-CG 3.48Å; V275-L278 PolarHBondContact O-N 3.49Å; L278-L372 HydrophobicContact CB-CD1 3.95Å; L278-L372 HydrophobicContact CD2-CD1 3.99Å; L278-L372 HydrophobicContact CG-CD1 4.46Å; L278-T373 WeakPolarHBondContact CD2-O 3.21Å | ||
| 279 | H | 97.1 | Very high | 94.5 | Very high | 26 Ų | 26 | 34.8 Ų | 34.8 | 12% | 0.12 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 162 | -178.8 | 65.2 | -79.7 | 0 | 0 | 0 | 110.8 | F240 I243 T277 T281 Y426 Y427 | F240-H279 AromaticContact CD2-NE2 3.97Å; F240-H279 AromaticContact CE2-CD2 3.53Å; F240-H279 AromaticContact CE2-CE1 3.95Å; F240-H279 AromaticContact CE2-NE2 3.32Å; F240-H279 VanDerWaalsContact CE2-NE2 3.32Å; F240-H279 WeakPolarHBondContact CE2-NE2 3.38Å; F240-H279 AromaticContact CZ-NE2 3.97Å; I243-H279 CarbonylContact O-C 3.53Å; I243-H279 WeakPolarHBondContact O-CA 3.41Å; I243-H279 WeakPolarHBondContact O-CB 3.39Å; T277-H279 PolarHBondContact O-N 3.14Å; T277-H279 PolarHBondContact O-ND1 3.23Å; H279-T281 PolarHBondContact CD2-OG1 3.22Å; H279-T281 PolarHBondContact NE2-OG1 3.35Å; H279-Y426 HydrophobicContact CB-CE2 4.38Å; H279-Y427 AromaticContact CE1-CE2 3.47Å; H279-Y427 VanDerWaalsContact CE1-CE2 3.47Å; H279-Y427 WeakPolarHBondContact CE1-CE2 3.36Å; H279-Y427 AromaticContact CE1-CZ 3.88Å; H279-Y427 AromaticContact ND1-CE2 3.53Å |
| 280 | I | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 129.7 | 163.1 | -49.9 | 176.9 | 0 | 0 | 0 | 108 | S242 I243 I245 L318 F320 L335 P370 | S242-I280 CarbonylContact C-O 3.55Å; S242-I280 VanDerWaalsContact CA-O 3.28Å; S242-I280 WeakPolarHBondContact CA-O 3.35Å; I243-I280 HydrophobicContact CB-CB 4.21Å; I243-I280 PolarHBondContact N-O 3.02Å; I243-I280 PolarHBondContact O-N 3.09Å; I245-I280 HydrophobicContact CD1-CG1 4.39Å; I280-L318 HydrophobicContact CD1-CD1 3.32Å; I280-F320 HydrophobicContact CD1-CE1 4.2Å; I280-F320 HydrophobicContact CD1-CE2 4.48Å; I280-F320 HydrophobicContact CD1-CZ 3.57Å; I280-F320 HydrophobicContact CG1-CE1 4.39Å; I280-F320 HydrophobicContact CG1-CZ 3.84Å; I280-L335 HydrophobicContact CD1-CD1 4.31Å; I280-P370 HydrophobicContact CG2-CB 3.74Å |
| 281 | T | 95.8 | Very high | 94.7 | Very high | 40 Ų | 40 | 36.9 Ų | 36.9 | 25% | 0.245 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 117.7 | 175.2 | -50 | 0 | 0 | 0 | 0 | 110.3 | F240 H279 V284 F368 | F240-T281 HydrophobicContact CB-CG2 4.02Å; F240-T281 HydrophobicContact CD2-CG2 4.17Å; F240-T281 HydrophobicContact CG-CG2 4.47Å; H279-T281 PolarHBondContact CD2-OG1 3.22Å; H279-T281 PolarHBondContact NE2-OG1 3.35Å; T281-V284 HydrophobicContact CG2-CG1 3.61Å; T281-F368 WeakPolarHBondContact O-CE2 3.32Å |
| 282 | L | 94.3 | Very high | 94.7 | Very high | 12 Ų | 12 | 39.7 Ų | 39.7 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -43.1 | 175.5 | -70.3 | -176 | 0 | 0 | 0 | 112.5 | V241 I243 L344 L347 A348 F368 L412 | V241-L282 HydrophobicContact CB-CB 4.41Å; V241-L282 HydrophobicContact CG1-CB 4.41Å; V241-L282 HydrophobicContact CG1-CD1 4.3Å; V241-L282 PolarHBondContact O-N 3.39Å; I243-L282 HydrophobicContact CD1-CD1 4.03Å; I243-L282 HydrophobicContact CD1-CD2 3.78Å; I243-L282 HydrophobicContact CD1-CG 3.99Å; I243-L282 HydrophobicContact CG1-CD1 3.99Å; I243-L282 HydrophobicContact CG1-CD2 4.42Å; I243-L282 HydrophobicContact CG1-CG 4.08Å; L282-L344 HydrophobicContact CD2-CD1 3.85Å; L282-L347 HydrophobicContact CD1-CD2 4.39Å; L282-L347 HydrophobicContact CD1-CG 4.43Å; L282-A348 HydrophobicContact CD2-CB 4.2Å; L282-F368 HydrophobicContact CD2-CE1 4.49Å; L282-F368 HydrophobicContact CD2-CE2 4.07Å; L282-F368 HydrophobicContact CD2-CZ 3.62Å; L282-L412 HydrophobicContact CD1-CD1 4.03Å; L282-L412 HydrophobicContact CD1-CD2 3.65Å; L282-L412 HydrophobicContact CD1-CG 4.44Å |
| 283 | L | 92.8 | Very high | 94.8 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 144.1 | -174.7 | -179.5 | 67.8 | 0 | 0 | 0 | 109.8 | F240 V241 V351 R352 F355 L361 | F240-L283 CarbonylContact C-O 3.46Å; F240-L283 WeakPolarHBondContact CA-O 3.24Å; F240-L283 WeakPolarHBondContact CB-O 3.47Å; V241-L283 HydrophobicContact CB-CB 4.21Å; V241-L283 HydrophobicContact CG2-CB 4.29Å; V241-L283 HydrophobicContact CG2-CD2 4.47Å; V241-L283 PolarHBondContact N-O 2.87Å; L283-V351 HydrophobicContact CD2-CG1 4.24Å; L283-R352 HydrophobicContact CD1-CB 4.17Å; L283-R352 HydrophobicContact CD1-CG 4.09Å; L283-F355 HydrophobicContact CD2-CB 3.85Å; L283-F355 HydrophobicContact CD2-CD1 3.72Å; L283-F355 HydrophobicContact CD2-CD2 4.06Å; L283-F355 HydrophobicContact CD2-CE1 4.26Å; L283-F355 HydrophobicContact CD2-CG 3.6Å; L283-L361 HydrophobicContact CD1-CD1 3.79Å; L283-L361 HydrophobicContact CD1-CD2 3.84Å; L283-L361 HydrophobicContact CD1-CG 4.49Å; L283-L361 HydrophobicContact CD2-CD1 4.02Å; L283-L361 HydrophobicContact CD2-CD2 4.22Å; L283-L361 HydrophobicContact CG-CD1 4.46Å; L283-L361 HydrophobicContact CG-CD2 4.2Å |
| 284 | V | 93.3 | Very high | 94.8 | Very high | 72 Ų | 72 | 45 Ų | 45 | 44% | 0.436 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 136.3 | 170.8 | -64.7 | 0 | 0 | 0 | 0 | 109.6 | P237 F240 T281 L361 M417 | P237-V284 HydrophobicContact CB-CB 4.18Å; P237-V284 HydrophobicContact CG-CB 4.47Å; P237-V284 HydrophobicContact CG-CG2 4.45Å; F240-V284 HydrophobicContact CB-CG1 4.13Å; T281-V284 HydrophobicContact CG2-CG1 3.61Å; V284-L361 WeakPolarHBondContact O-CD2 3.19Å; V284-M417 HydrophobicContact CG1-CE 4.11Å |
| 285 | T | 93.1 | Very high | 94.9 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 163.5 | -178.2 | -176.3 | 0 | 0 | 0 | 0 | 112.3 | P237 N238 Y239 L287 F355 L360 | P237-T285 WeakPolarHBondContact CA-O 3.4Å; N238-T285 PolarHBondContact N-O 3.03Å; N238-T285 PolarHBondContact OD1-O 3.45Å; Y239-T285 PolarHBondContact N-O 3.44Å; Y239-T285 PolarHBondContact O-N 3.37Å; Y239-T285 VanDerWaalsContact O-O 3.04Å; T285-L287 HydrophobicContact CG2-CD1 4.43Å; T285-L287 HydrophobicContact CG2-CD2 3.98Å; T285-L287 HydrophobicContact CG2-CG 4.05Å; T285-F355 HydrophobicContact CG2-CD1 4.48Å; T285-F355 HydrophobicContact CG2-CE1 4.39Å; T285-L360 PolarHBondContact OG1-O 3.21Å |
| 286 | H | 93.4 | Very high | 94.9 | Very high | 52 Ų | 52 | 44.4 Ų | 44.4 | 24% | 0.241 | 24% | 0.241 | C | C | . | . | trans | -111.9 | 116.7 | 168.5 | 178.9 | -89.6 | 0 | 0 | 0 | 110.8 | Q235 R236 N238 | Q235-H286 HydrophobicContact CB-CB 4.04Å; Q235-H286 VanDerWaalsContact CD-CE1 3.46Å; Q235-H286 PolarHBondContact OE1-CE1 3.26Å; Q235-H286 PolarHBondContact OE1-ND1 3.48Å; R236-H286 PolarHBondContact O-CD2 2.9Å; N238-H286 WeakPolarHBondContact OD1-CA 3.39Å | ||
| 287 | L | 93.6 | Very high | 95 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | trans | -110.6 | 116.1 | 175.4 | -49.5 | 178.3 | 0 | 0 | 0 | 108.6 | N238 Y239 T285 Q292 I293 A296 L360 | N238-L287 PolarHBondContact ND2-O 2.91Å; N238-L287 PolarHBondContact OD1-N 2.87Å; Y239-L287 HydrophobicContact CD1-CD1 4.16Å; Y239-L287 HydrophobicContact CD2-CB 3.7Å; Y239-L287 HydrophobicContact CD2-CD1 3.73Å; Y239-L287 HydrophobicContact CD2-CG 3.8Å; Y239-L287 HydrophobicContact CE2-CB 4.14Å; Y239-L287 HydrophobicContact CE2-CD1 4.37Å; Y239-L287 HydrophobicContact CG-CB 4.45Å; Y239-L287 HydrophobicContact CG-CD1 3.64Å; Y239-L287 HydrophobicContact CG-CG 4.06Å; T285-L287 HydrophobicContact CG2-CD1 4.43Å; T285-L287 HydrophobicContact CG2-CD2 3.98Å; T285-L287 HydrophobicContact CG2-CG 4.05Å; L287-Q292 HydrophobicContact CB-CB 4.16Å; L287-Q292 HydrophobicContact CD2-CB 4.32Å; L287-I293 HydrophobicContact CB-CG1 4.04Å; L287-I293 HydrophobicContact CD1-CG1 4.11Å; L287-A296 HydrophobicContact CD1-CB 3.68Å; L287-A296 HydrophobicContact CD2-CB 4.2Å; L287-L360 HydrophobicContact CD2-CD2 4.04Å | ||
| 288 | A | 91.3 | Very high | 95 | Very high | 69 Ų | 69 | 43.9 Ų | 43.9 | 57% | 0.57 | 24% | 0.242 | S | C | * | . | trans | -90.2 | -26 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 289 | S | 93.7 | Very high | 95 | Very high | 45 Ų | 45 | 44 Ų | 44 | 32% | 0.315 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -131.7 | 161.2 | -176.2 | 60.5 | 0 | 0 | 0 | 0 | 111.5 | E291 Q292 I293 | S289-E291 VanDerWaalsContact C-N 3.26Å; S289-E291 PolarHBondContact O-N 3.49Å; S289-Q292 WeakPolarHBondContact O-CB 3.4Å; S289-Q292 PolarHBondContact O-N 3.02Å; S289-Q292 VanDerWaalsContact O-N 3.11Å; S289-Q292 PolarHBondContact OG-N 3.49Å; S289-I293 WeakPolarHBondContact O-CG1 3.44Å; S289-I293 PolarHBondContact O-N 2.86Å |
| 290 | E | 94.3 | Very high | 94.9 | Very high | 106 Ų | 106 | 42.8 Ų | 42.8 | 50% | 0.495 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.7 | -39.6 | 173.7 | -159.5 | 66.3 | -152 | 0 | 0 | 111.3 | Q292 I293 E294 | E290-Q292 VanDerWaalsContact C-N 3.27Å; E290-Q292 PolarHBondContact O-N 2.65Å; E290-I293 CarbonylContact O-C 3.59Å; E290-I293 WeakPolarHBondContact O-CA 3.22Å; E290-I293 WeakPolarHBondContact O-CB 3.49Å; E290-I293 PolarHBondContact O-N 3.25Å; E290-E294 PolarHBondContact O-N 3.36Å |
| 291 | E | 95.4 | Very high | 94.8 | Very high | 151 Ų | 151 | 45.1 Ų | 45.1 | 71% | 0.706 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -56.7 | -38.4 | 174.2 | -62.6 | 171.8 | -179.9 | 0 | 0 | 112.6 | S289 I293 L295 | S289-E291 VanDerWaalsContact C-N 3.26Å; S289-E291 PolarHBondContact O-N 3.49Å; E291-I293 VanDerWaalsContact C-N 3.34Å; E291-L295 VanDerWaalsContact O-CB 3.23Å; E291-L295 WeakPolarHBondContact O-CB 3.48Å; E291-L295 PolarHBondContact O-N 3.23Å |
| 292 | Q | 95.2 | Very high | 94.8 | Very high | 58 Ų | 58 | 49.4 Ų | 49.4 | 27% | 0.271 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -72.1 | -29.4 | 175.4 | -74.8 | -172.8 | -19.6 | 0 | 0 | 112.4 | L287 S289 E290 A296 L360 | L287-Q292 HydrophobicContact CB-CB 4.16Å; L287-Q292 HydrophobicContact CD2-CB 4.32Å; S289-Q292 WeakPolarHBondContact O-CB 3.4Å; S289-Q292 PolarHBondContact O-N 3.02Å; S289-Q292 VanDerWaalsContact O-N 3.11Å; S289-Q292 PolarHBondContact OG-N 3.49Å; E290-Q292 VanDerWaalsContact C-N 3.27Å; E290-Q292 PolarHBondContact O-N 2.65Å; Q292-A296 VanDerWaalsContact O-CB 3.23Å; Q292-A296 WeakPolarHBondContact O-CB 3.31Å; Q292-A296 PolarHBondContact O-N 2.73Å; Q292-L360 HydrophobicContact CB-CD2 4.33Å; Q292-L360 HydrophobicContact CG-CD2 4.4Å |
| 293 | I | 95.8 | Very high | 94.7 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.8 | -49.1 | 174 | -63 | 166.7 | 0 | 0 | 0 | 109.6 | Y239 L287 S289 E290 E291 L295 A296 A297 E430 | Y239-I293 HydrophobicContact CE2-CD1 3.96Å; Y239-I293 HydrophobicContact CE2-CG1 4.01Å; Y239-I293 VanDerWaalsContact OH-CD1 3.27Å; Y239-I293 WeakPolarHBondContact OH-CD1 3.49Å; L287-I293 HydrophobicContact CB-CG1 4.04Å; L287-I293 HydrophobicContact CD1-CG1 4.11Å; S289-I293 WeakPolarHBondContact O-CG1 3.44Å; S289-I293 PolarHBondContact O-N 2.86Å; E290-I293 CarbonylContact O-C 3.59Å; E290-I293 WeakPolarHBondContact O-CA 3.22Å; E290-I293 WeakPolarHBondContact O-CB 3.49Å; E290-I293 PolarHBondContact O-N 3.25Å; E291-I293 VanDerWaalsContact C-N 3.34Å; I293-L295 PolarHBondContact O-N 2.87Å; I293-A296 PolarHBondContact O-N 3.08Å; I293-A297 WeakPolarHBondContact O-CB 3.18Å; I293-A297 PolarHBondContact O-N 2.88Å; I293-E430 HydrophobicContact CG2-CB 4.16Å; I293-E430 HydrophobicContact CG2-CG 3.77Å |
| 294 | E | 96.4 | Very high | 94.7 | Very high | 128 Ų | 128 | 52.8 Ų | 52.8 | 60% | 0.598 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.4 | -44 | 175.9 | -69.6 | 178.1 | -177.5 | 0 | 0 | 111.6 | E290 A297 A298 | E290-E294 PolarHBondContact O-N 3.36Å; E294-A297 PolarHBondContact O-N 2.79Å; E294-A298 WeakPolarHBondContact O-CB 3.26Å; E294-A298 PolarHBondContact O-N 2.83Å |
| 295 | L | 96.8 | Very high | 94.7 | Very high | 65 Ų | 65 | 53.4 Ų | 53.4 | 34% | 0.34 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 175 | -178.7 | 59.1 | 0 | 0 | 0 | 111.3 | E291 I293 A297 A298 V299 L360 | E291-L295 VanDerWaalsContact O-CB 3.23Å; E291-L295 WeakPolarHBondContact O-CB 3.48Å; E291-L295 PolarHBondContact O-N 3.23Å; I293-L295 PolarHBondContact O-N 2.87Å; L295-A297 VanDerWaalsContact C-N 3.27Å; L295-A297 PolarHBondContact O-N 2.88Å; L295-A298 PolarHBondContact O-N 2.84Å; L295-V299 HydrophobicContact CD1-CG2 4.22Å; L295-V299 HydrophobicContact CG-CG2 4.43Å; L295-V299 WeakPolarHBondContact O-CB 3.49Å; L295-V299 WeakPolarHBondContact O-CG2 3.48Å; L295-V299 PolarHBondContact O-N 3.33Å; L295-L360 HydrophobicContact CD2-CD2 4.03Å; L295-L360 HydrophobicContact CD2-CG 4.47Å; L295-L360 HydrophobicContact CG-CD1 4.33Å; L295-L360 HydrophobicContact CG-CD2 4.34Å |
| 296 | A | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.1 | -38.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L287 Q292 I293 V299 L300 F355 L360 L414 | L287-A296 HydrophobicContact CD1-CB 3.68Å; L287-A296 HydrophobicContact CD2-CB 4.2Å; Q292-A296 VanDerWaalsContact O-CB 3.23Å; Q292-A296 WeakPolarHBondContact O-CB 3.31Å; Q292-A296 PolarHBondContact O-N 2.73Å; I293-A296 PolarHBondContact O-N 3.08Å; A296-V299 PolarHBondContact O-N 2.78Å; A296-L300 PolarHBondContact O-N 2.87Å; A296-F355 HydrophobicContact CB-CE1 3.82Å; A296-F355 HydrophobicContact CB-CZ 4.21Å; A296-L360 HydrophobicContact CB-CD1 3.88Å; A296-L414 HydrophobicContact CB-CD2 3.78Å |
| 297 | A | 96.4 | Very high | 94.7 | Very high | 18 Ų | 18 | 51.7 Ų | 51.7 | 15% | 0.149 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I293 E294 L295 V299 L300 A301 L414 T431 | I293-A297 WeakPolarHBondContact O-CB 3.18Å; I293-A297 PolarHBondContact O-N 2.88Å; E294-A297 PolarHBondContact O-N 2.79Å; L295-A297 VanDerWaalsContact C-N 3.27Å; L295-A297 PolarHBondContact O-N 2.88Å; A297-V299 VanDerWaalsContact C-N 3.32Å; A297-V299 PolarHBondContact O-N 2.75Å; A297-L300 PolarHBondContact O-N 2.83Å; A297-A301 PolarHBondContact O-N 2.89Å; A297-L414 HydrophobicContact CB-CD2 4.36Å; A297-T431 VanDerWaalsContact CA-CG2 3.5Å; A297-T431 HydrophobicContact CB-CG2 3.56Å |
| 298 | A | 96.6 | Very high | 94.6 | Very high | 38 Ų | 38 | 53.9 Ų | 53.9 | 31% | 0.314 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E294 L295 A301 Q302 | E294-A298 WeakPolarHBondContact O-CB 3.26Å; E294-A298 PolarHBondContact O-N 2.83Å; L295-A298 PolarHBondContact O-N 2.84Å; A298-A301 PolarHBondContact O-N 2.83Å; A298-Q302 WeakPolarHBondContact O-CB 3.4Å; A298-Q302 WeakPolarHBondContact O-CG 3.38Å; A298-Q302 PolarHBondContact O-N 2.81Å; A298-Q302 PolarHBondContact O-NE2 3.47Å |
| 299 | V | 96.4 | Very high | 94.7 | Very high | 6 Ų | 6 | 58.1 Ų | 58.1 | 4% | 0.036 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 177.5 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | L295 A296 A297 Q302 A303 R354 F355 Q358 L360 | L295-V299 HydrophobicContact CD1-CG2 4.22Å; L295-V299 HydrophobicContact CG-CG2 4.43Å; L295-V299 WeakPolarHBondContact O-CB 3.49Å; L295-V299 WeakPolarHBondContact O-CG2 3.48Å; L295-V299 PolarHBondContact O-N 3.33Å; A296-V299 PolarHBondContact O-N 2.78Å; A297-V299 VanDerWaalsContact C-N 3.32Å; A297-V299 PolarHBondContact O-N 2.75Å; V299-Q302 PolarHBondContact O-N 2.86Å; V299-A303 PolarHBondContact O-N 2.86Å; V299-A303 VanDerWaalsContact O-N 3.09Å; V299-R354 HydrophobicContact CG1-CB 3.76Å; V299-F355 HydrophobicContact CB-CE2 4.48Å; V299-F355 HydrophobicContact CG1-CD2 3.71Å; V299-F355 HydrophobicContact CG1-CE2 3.88Å; V299-F355 HydrophobicContact CG1-CG 4.45Å; V299-Q358 HydrophobicContact CG2-CB 4.12Å; V299-Q358 HydrophobicContact CG2-CG 3.59Å; V299-L360 HydrophobicContact CG2-CD1 4.26Å |
| 300 | L | 96.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 176.5 | -172.5 | 61.7 | 0 | 0 | 0 | 111.1 | V241 A296 A297 A303 V351 F355 L414 T431 L433 | V241-L300 HydrophobicContact CG1-CD1 4.37Å; A296-L300 PolarHBondContact O-N 2.87Å; A297-L300 PolarHBondContact O-N 2.83Å; L300-A303 WeakPolarHBondContact O-CB 3.22Å; L300-A303 PolarHBondContact O-N 3.48Å; L300-V351 HydrophobicContact CD1-CG1 4.44Å; L300-F355 HydrophobicContact CB-CE2 4.42Å; L300-L414 HydrophobicContact CD2-CB 3.99Å; L300-T431 HydrophobicContact CB-CG2 4.38Å; L300-T431 HydrophobicContact CD2-CG2 4.04Å; L300-L433 HydrophobicContact CD1-CB 4.48Å; L300-L433 HydrophobicContact CD1-CD2 4.22Å; L300-L433 HydrophobicContact CD2-CB 4.43Å; L300-L433 HydrophobicContact CG-CB 4.05Å |
| 301 | A | 94.6 | Very high | 94.4 | Very high | 48 Ų | 48 | 54.2 Ų | 54.2 | 40% | 0.397 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A297 A298 A303 E304 | A297-A301 PolarHBondContact O-N 2.89Å; A298-A301 PolarHBondContact O-N 2.83Å; A301-A303 PolarHBondContact O-N 3.26Å; A301-E304 VanDerWaalsContact O-CB 3.28Å; A301-E304 WeakPolarHBondContact O-CB 3.39Å; A301-E304 PolarHBondContact O-N 3.49Å; A301-E304 VanDerWaalsContact O-N 3.14Å |
| 302 | Q | 94.2 | Very high | 94 | Very high | 130 Ų | 130 | 49.7 Ų | 49.7 | 61% | 0.607 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -67.2 | -16.9 | 176.9 | -72.7 | 171.8 | 45.9 | 0 | 0 | 113.6 | A298 V299 E304 P305 | A298-Q302 WeakPolarHBondContact O-CB 3.4Å; A298-Q302 WeakPolarHBondContact O-CG 3.38Å; A298-Q302 PolarHBondContact O-N 2.81Å; A298-Q302 PolarHBondContact O-NE2 3.47Å; V299-Q302 PolarHBondContact O-N 2.86Å; Q302-E304 VanDerWaalsContact C-N 3.28Å; Q302-P305 WeakPolarHBondContact O-CD 3.28Å |
| 303 | A | 93.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -16.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V299 L300 A301 S306 V307 R354 | V299-A303 PolarHBondContact O-N 2.86Å; V299-A303 VanDerWaalsContact O-N 3.09Å; L300-A303 WeakPolarHBondContact O-CB 3.22Å; L300-A303 PolarHBondContact O-N 3.48Å; A301-A303 PolarHBondContact O-N 3.26Å; A303-S306 PolarHBondContact O-N 2.88Å; A303-S306 VanDerWaalsContact O-N 3.1Å; A303-V307 HydrophobicContact CB-CG2 4.38Å; A303-V307 WeakPolarHBondContact O-CG2 3.44Å; A303-V307 PolarHBondContact O-N 2.87Å; A303-R354 HydrophobicContact CB-CG 4.39Å |
| 304 | E | 92.6 | Very high | 93 | Very high | 98 Ų | 98 | 57.5 Ų | 57.5 | 46% | 0.458 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -44.6 | -56.7 | -178.5 | -171.4 | 179.8 | 155.5 | 0 | 0 | 114.4 | A301 Q302 S306 V307 A308 L433 | A301-E304 VanDerWaalsContact O-CB 3.28Å; A301-E304 WeakPolarHBondContact O-CB 3.39Å; A301-E304 PolarHBondContact O-N 3.49Å; A301-E304 VanDerWaalsContact O-N 3.14Å; Q302-E304 VanDerWaalsContact C-N 3.28Å; E304-S306 VanDerWaalsContact C-N 3.31Å; E304-S306 PolarHBondContact O-N 3.07Å; E304-V307 PolarHBondContact O-N 3.29Å; E304-V307 VanDerWaalsContact O-N 3.16Å; E304-A308 WeakPolarHBondContact O-CB 3.22Å; E304-A308 PolarHBondContact O-N 3.35Å; E304-L433 HydrophobicContact CB-CD1 3.42Å; E304-L433 VanDerWaalsContact CB-CD1 3.42Å; E304-L433 HydrophobicContact CG-CD1 3.7Å |
| 305 | P | 92 | Very high | 92.7 | Very high | 85 Ų | 85 | 56.6 Ų | 56.6 | 55% | 0.552 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.5 | -39.3 | -178 | 23.5 | -35.2 | 0 | 0 | 0 | 112.6 | Q302 A308 E309 | Q302-P305 WeakPolarHBondContact O-CD 3.28Å; P305-A308 PolarHBondContact O-N 3.02Å; P305-E309 WeakPolarHBondContact O-CB 3.15Å; P305-E309 PolarHBondContact O-N 2.89Å |
| 306 | S | 94.3 | Very high | 92.5 | Very high | 23 Ų | 23 | 53.8 Ų | 53.8 | 16% | 0.161 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.8 | -35 | 178.1 | -58.6 | 0 | 0 | 0 | 0 | 112 | A303 E304 L310 R354 | A303-S306 PolarHBondContact O-N 2.88Å; A303-S306 VanDerWaalsContact O-N 3.1Å; E304-S306 VanDerWaalsContact C-N 3.31Å; E304-S306 PolarHBondContact O-N 3.07Å; S306-L310 WeakPolarHBondContact O-CB 3.43Å; S306-L310 PolarHBondContact O-N 2.88Å; S306-R354 PolarHBondContact OG-NH2 3.2Å |
| 307 | V | 93.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.4 | -42.6 | 174.5 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | A303 E304 E309 L310 L311 L347 L350 L433 L435 | A303-V307 HydrophobicContact CB-CG2 4.38Å; A303-V307 WeakPolarHBondContact O-CG2 3.44Å; A303-V307 PolarHBondContact O-N 2.87Å; E304-V307 PolarHBondContact O-N 3.29Å; E304-V307 VanDerWaalsContact O-N 3.16Å; V307-E309 VanDerWaalsContact C-N 3.32Å; V307-E309 PolarHBondContact O-N 3.07Å; V307-L310 WeakPolarHBondContact O-CB 3.23Å; V307-L310 PolarHBondContact O-N 3.28Å; V307-L311 HydrophobicContact CG1-CD1 4.09Å; V307-L311 HydrophobicContact CG1-CG 4.35Å; V307-L311 WeakPolarHBondContact O-CG 3.5Å; V307-L311 PolarHBondContact O-N 3.27Å; V307-L347 HydrophobicContact CB-CD1 4.28Å; V307-L347 HydrophobicContact CG1-CD1 3.6Å; V307-L347 HydrophobicContact CG2-CD1 3.71Å; V307-L350 HydrophobicContact CB-CD2 4.47Å; V307-L350 HydrophobicContact CG2-CD2 3.73Å; V307-L433 HydrophobicContact CG2-CD2 4.19Å; V307-L435 HydrophobicContact CB-CD2 4.28Å; V307-L435 HydrophobicContact CG1-CD1 4.39Å; V307-L435 HydrophobicContact CG1-CD2 3.41Å; V307-L435 VanDerWaalsContact CG1-CD2 3.41Å |
| 308 | A | 91.4 | Very high | 92.4 | Very high | 49 Ų | 49 | 55.5 Ų | 55.5 | 41% | 0.405 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | E304 P305 L311 G312 | E304-A308 WeakPolarHBondContact O-CB 3.22Å; E304-A308 PolarHBondContact O-N 3.35Å; P305-A308 PolarHBondContact O-N 3.02Å; A308-L311 PolarHBondContact O-N 2.93Å; A308-G312 PolarHBondContact O-N 2.89Å |
| 309 | E | 92.4 | Very high | 92.4 | Very high | 158 Ų | 158 | 54.6 Ų | 54.6 | 74% | 0.738 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -62.8 | -45.5 | 173.4 | -175.3 | 179.8 | -174.5 | 0 | 0 | 111.7 | P305 V307 L311 G312 | P305-E309 WeakPolarHBondContact O-CB 3.15Å; P305-E309 PolarHBondContact O-N 2.89Å; V307-E309 VanDerWaalsContact C-N 3.32Å; V307-E309 PolarHBondContact O-N 3.07Å; E309-L311 VanDerWaalsContact C-N 3.31Å; E309-L311 PolarHBondContact O-N 3.42Å; E309-G312 PolarHBondContact O-N 3.06Å; E309-G312 VanDerWaalsContact O-N 3.11Å |
| 310 | L | 92.6 | Very high | 92.4 | Very high | 56 Ų | 56 | 54.3 Ų | 54.3 | 29% | 0.293 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 177.7 | 178.8 | 67.8 | 0 | 0 | 0 | 112.3 | S306 V307 G312 L347 | S306-L310 WeakPolarHBondContact O-CB 3.43Å; S306-L310 PolarHBondContact O-N 2.88Å; V307-L310 WeakPolarHBondContact O-CB 3.23Å; V307-L310 PolarHBondContact O-N 3.28Å; L310-G312 VanDerWaalsContact C-N 3.32Å; L310-L347 HydrophobicContact CD2-CB 3.94Å; L310-L347 HydrophobicContact CD2-CD1 4.35Å |
| 311 | L | 90.7 | Very high | 92.3 | Very high | 13 Ų | 13 | 55.6 Ų | 55.6 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -74.5 | -24.2 | 178.4 | -65.4 | -179.3 | 0 | 0 | 0 | 112.2 | V307 A308 E309 G313 R314 L316 T343 L435 | V307-L311 HydrophobicContact CG1-CD1 4.09Å; V307-L311 HydrophobicContact CG1-CG 4.35Å; V307-L311 WeakPolarHBondContact O-CG 3.5Å; V307-L311 PolarHBondContact O-N 3.27Å; A308-L311 PolarHBondContact O-N 2.93Å; E309-L311 VanDerWaalsContact C-N 3.31Å; E309-L311 PolarHBondContact O-N 3.42Å; L311-G313 PolarHBondContact O-N 2.88Å; L311-R314 WeakPolarHBondContact O-CB 3.42Å; L311-R314 PolarHBondContact O-N 3.48Å; L311-L316 HydrophobicContact CD2-CB 3.86Å; L311-L316 HydrophobicContact CD2-CD2 4.4Å; L311-T343 HydrophobicContact CD2-CG2 4.04Å; L311-L435 HydrophobicContact CD1-CB 4.22Å; L311-L435 HydrophobicContact CD1-CD1 4.34Å |
| 312 | G | 86 | Confident | 92.2 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 58% | 0.577 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 30 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A308 E309 L310 R314 | A308-G312 PolarHBondContact O-N 2.89Å; E309-G312 PolarHBondContact O-N 3.06Å; E309-G312 VanDerWaalsContact O-N 3.11Å; L310-G312 VanDerWaalsContact C-N 3.32Å; G312-R314 VanDerWaalsContact C-N 3.26Å; G312-R314 PolarHBondContact O-N 2.86Å |
| 313 | G | 83.1 | Confident | 92.3 | Very high | 68 Ų | 68 | 47.9 Ų | 47.9 | 70% | 0.701 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 8.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L311 | L311-G313 PolarHBondContact O-N 2.88Š|
| 314 | R | 87.1 | Confident | 92.3 | Very high | 167 Ų | 167 | 55.2 Ų | 55.2 | 63% | 0.63 | 31% | 0.312 | S | S | * | . | trans | -96.1 | 146.7 | 173.9 | -61.1 | 178.5 | -68.4 | 176.2 | -0.5 | 110.7 | L311 G312 | L311-R314 WeakPolarHBondContact O-CB 3.42Å; L311-R314 PolarHBondContact O-N 3.48Å; G312-R314 VanDerWaalsContact C-N 3.26Å; G312-R314 PolarHBondContact O-N 2.86Å | ||
| 315 | D | 90.2 | Very high | 92.3 | Very high | 108 Ų | 108 | 53.9 Ų | 53.9 | 58% | 0.578 | 31% | 0.305 | S | S | * | . | trans | -74.1 | 132.8 | 173.8 | -66.5 | -25.9 | 0 | 0 | 0 | 110.6 | V317 T408 | D315-V317 HydrophobicContact CB-CG2 4.45Å; D315-V317 PolarHBondContact O-N 2.77Å; D315-T408 HydrophobicContact CB-CG2 4.15Å | ||
| 316 | L | 93.4 | Very high | 92.4 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.037 | 29% | 0.292 | C | S | . | . | trans | -84.8 | 110.3 | 171.1 | 178.1 | 59.2 | 0 | 0 | 0 | 109.1 | L311 L318 H340 T343 L344 L347 V409 | L311-L316 HydrophobicContact CD2-CB 3.86Å; L311-L316 HydrophobicContact CD2-CD2 4.4Å; L316-L318 HydrophobicContact CD1-CD2 4Å; L316-L318 HydrophobicContact CD2-CD2 4.42Å; L316-L318 HydrophobicContact CG-CD2 3.98Å; L316-H340 HydrophobicContact CD1-CB 3.96Å; L316-T343 HydrophobicContact CD1-CG2 3.96Å; L316-L344 HydrophobicContact CD2-CB 4.49Å; L316-L344 HydrophobicContact CD2-CD1 4.22Å; L316-L347 HydrophobicContact CD2-CD2 4.06Å; L316-V409 HydrophobicContact CB-CB 4.22Å; L316-V409 HydrophobicContact CB-CG2 4.16Å; L316-V409 HydrophobicContact CD2-CB 4.36Å; L316-V409 HydrophobicContact CD2-CG2 3.88Å; L316-V409 HydrophobicContact CG-CB 4.38Å; L316-V409 HydrophobicContact CG-CG2 3.82Å; L316-V409 WeakPolarHBondContact O-CG2 3.44Å; L316-V409 PolarHBondContact O-N 3.44Å | ||
| 317 | V | 94.8 | Very high | 92.1 | Very high | 53 Ų | 53 | 62 Ų | 62 | 32% | 0.321 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 127.7 | 179.3 | -176.2 | 0 | 0 | 0 | 0 | 110 | D315 P319 H340 N406 | D315-V317 HydrophobicContact CB-CG2 4.45Å; D315-V317 PolarHBondContact O-N 2.77Å; V317-P319 WeakPolarHBondContact O-CD 3.46Å; V317-H340 WeakPolarHBondContact O-CB 3.29Å; V317-N406 HydrophobicContact CG1-CB 3.71Å |
| 318 | L | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 104.8 | -176.8 | -54.4 | -176.9 | 0 | 0 | 0 | 110.1 | I243 I280 L316 F320 L335 H340 L344 Q407 V409 | I243-L318 HydrophobicContact CD1-CD1 4.33Å; I280-L318 HydrophobicContact CD1-CD1 3.32Å; L316-L318 HydrophobicContact CD1-CD2 4Å; L316-L318 HydrophobicContact CD2-CD2 4.42Å; L316-L318 HydrophobicContact CG-CD2 3.98Å; L318-F320 HydrophobicContact CB-CE2 4.42Å; L318-L335 HydrophobicContact CB-CD2 4.15Å; L318-L335 HydrophobicContact CD1-CD2 4.44Å; L318-L335 HydrophobicContact CD2-CD2 4.01Å; L318-L335 HydrophobicContact CG-CD2 4.42Å; L318-H340 HydrophobicContact CD2-CB 4.28Å; L318-L344 HydrophobicContact CD1-CD1 4.42Å; L318-L344 HydrophobicContact CD1-CD2 4.2Å; L318-L344 HydrophobicContact CD2-CB 4.43Å; L318-L344 HydrophobicContact CD2-CD2 3.93Å; L318-Q407 HydrophobicContact CB-CB 4.4Å; L318-Q407 PolarHBondContact N-O 3.48Å; L318-Q407 PolarHBondContact O-N 3.19Å; L318-V409 HydrophobicContact CD1-CG2 3.56Å; L318-V409 HydrophobicContact CD2-CG2 4.41Å; L318-V409 HydrophobicContact CG-CG2 3.73Å |
| 319 | P | 95.8 | Very high | 92 | Very high | 19 Ų | 19 | 66.2 Ų | 66.2 | 12% | 0.123 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 120.9 | 174.3 | 29.6 | -32.4 | 0 | 0 | 0 | 110.5 | V317 L335 D336 H340 F403 N406 | V317-P319 WeakPolarHBondContact O-CD 3.46Å; P319-L335 WeakPolarHBondContact O-CA 3.42Å; P319-D336 HydrophobicContact CB-CB 4.37Å; P319-D336 HydrophobicContact CG-CB 4.14Å; P319-D336 PolarHBondContact O-N 2.92Å; P319-D336 VanDerWaalsContact O-N 3.08Å; P319-H340 WeakPolarHBondContact CD-CE1 3.23Å; P319-H340 WeakPolarHBondContact CD-ND1 3.2Å; P319-H340 WeakPolarHBondContact CG-CE1 3.43Å; P319-F403 HydrophobicContact CB-CE2 4.06Å; P319-N406 WeakPolarHBondContact CA-OD1 3.42Å; P319-N406 WeakPolarHBondContact CB-OD1 3.43Å |
| 320 | F | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 122.3 | 176.1 | -75.8 | -77.1 | 0 | 0 | 0 | 110.8 | I245 I250 I280 L318 V333 G334 L335 L372 F403 F404 G405 Q407 | I245-F320 HydrophobicContact CD1-CE2 3.85Å; I245-F320 HydrophobicContact CD1-CZ 3.82Å; I250-F320 HydrophobicContact CD1-CD2 3.71Å; I250-F320 HydrophobicContact CD1-CE2 4.19Å; I280-F320 HydrophobicContact CD1-CE1 4.2Å; I280-F320 HydrophobicContact CD1-CE2 4.48Å; I280-F320 HydrophobicContact CD1-CZ 3.57Å; I280-F320 HydrophobicContact CG1-CE1 4.39Å; I280-F320 HydrophobicContact CG1-CZ 3.84Å; L318-F320 HydrophobicContact CB-CE2 4.42Å; F320-V333 HydrophobicContact CB-CG1 3.88Å; F320-V333 HydrophobicContact CD1-CB 4.45Å; F320-V333 HydrophobicContact CD1-CG1 4.16Å; F320-V333 HydrophobicContact CG-CG1 4.47Å; F320-G334 WeakPolarHBondContact CA-O 3.5Å; F320-L335 HydrophobicContact CD1-CD1 3.7Å; F320-L335 HydrophobicContact CD1-CG 4.43Å; F320-L335 HydrophobicContact CE1-CD1 3.27Å; F320-L335 HydrophobicContact CE1-CG 4.3Å; F320-L335 HydrophobicContact CZ-CD1 4.02Å; F320-L372 HydrophobicContact CD1-CB 3.95Å; F320-L372 HydrophobicContact CD1-CD2 4.15Å; F320-L372 HydrophobicContact CE1-CB 3.4Å; F320-L372 VanDerWaalsContact CE1-CB 3.4Å; F320-L372 HydrophobicContact CE1-CD2 4.01Å; F320-L372 HydrophobicContact CE1-CG 4.3Å; F320-L372 HydrophobicContact CE2-CD2 4.46Å; F320-L372 HydrophobicContact CG-CD2 4.43Å; F320-L372 HydrophobicContact CZ-CB 4Å; F320-L372 HydrophobicContact CZ-CD2 4.11Å; F320-F403 WeakPolarHBondContact O-CD2 3.5Å; F320-F404 HydrophobicContact CB-CB 3.91Å; F320-F404 PolarHBondContact O-N 3Å; F320-G405 PolarHBondContact N-O 3.04Å; F320-Q407 HydrophobicContact CD2-CB 4.07Å; F320-Q407 HydrophobicContact CE2-CB 3.6Å; F320-Q407 HydrophobicContact CE2-CG 4.29Å |
| 321 | S | 94.2 | Very high | 92.2 | Very high | 29 Ų | 29 | 57.1 Ų | 57.1 | 20% | 0.203 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 134.9 | -178.1 | -169.1 | 0 | 0 | 0 | 0 | 111.5 | G334 | S321-G334 PolarHBondContact N-O 2.77Å; S321-G334 CarbonylContact O-C 3.55Å |
| 322 | G | 93.3 | Very high | 92.5 | Very high | 7 Ų | 7 | 56.7 Ų | 56.7 | 7% | 0.072 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 69.2 | 154.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | V333 G334 T400 K402 | G322-V333 CarbonylContact O-C 3.56Å; G322-V333 WeakPolarHBondContact O-CA 3.28Å; G322-V333 WeakPolarHBondContact O-CG1 3.41Å; G322-G334 PolarHBondContact O-N 3.17Å; G322-T400 CarbonylContact C-O 3.57Å; G322-T400 WeakPolarHBondContact CA-O 3.25Å; G322-K402 PolarHBondContact N-O 3.01Å |
| 323 | I | 94.9 | Very high | 93 | Very high | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 130.6 | 179 | -65.5 | -175.7 | 0 | 0 | 0 | 110.3 | V257 V331 F332 Y396 Y399 T400 F404 | V257-I323 HydrophobicContact CG1-CD1 3.72Å; V257-I323 HydrophobicContact CG2-CD1 4.22Å; I323-V331 HydrophobicContact CG2-CG1 3.27Å; I323-F332 WeakPolarHBondContact CA-O 3.36Å; I323-Y396 HydrophobicContact CB-CD2 4.19Å; I323-Y396 HydrophobicContact CG2-CD2 3.57Å; I323-Y396 HydrophobicContact CG2-CE2 3.89Å; I323-Y396 HydrophobicContact CG2-CG 4.1Å; I323-Y399 VanDerWaalsContact CD1-CB 3.48Å; I323-Y399 HydrophobicContact CD1-CG 4.46Å; I323-T400 PolarHBondContact N-O 2.89Å; I323-F404 HydrophobicContact CD1-CZ 4.05Å; I323-F404 HydrophobicContact CG1-CE2 4.08Å; I323-F404 HydrophobicContact CG1-CZ 3.94Å |
| 324 | R | 93.7 | Very high | 93.5 | Very high | 155 Ų | 155 | 51 Ų | 51 | 59% | 0.585 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 172.1 | 178.6 | -63 | -178.1 | -177.8 | -130.4 | -1.7 | 110.3 | V331 F332 | R324-V331 WeakPolarHBondContact O-CA 3.43Å; R324-F332 HydrophobicContact CB-CD2 4.06Å; R324-F332 HydrophobicContact CB-CE1 4.15Å; R324-F332 HydrophobicContact CB-CE2 3.5Å; R324-F332 HydrophobicContact CB-CZ 3.55Å; R324-F332 HydrophobicContact CG-CE2 4.42Å; R324-F332 PolarHBondContact N-O 2.85Å; R324-F332 PolarHBondContact O-N 3.04Å; R324-F332 VanDerWaalsContact O-O 3.13Å |
| 325 | H | 94.3 | Very high | 93.8 | Very high | 71 Ų | 71 | 44.1 Ų | 44.1 | 33% | 0.329 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 143.5 | -177.9 | 65.6 | 52.3 | 0 | 0 | 0 | 114.3 | V330 V331 Y396 | H325-V330 CarbonylContact C-O 3.58Å; H325-V330 WeakPolarHBondContact CA-O 3.4Å; H325-V330 WeakPolarHBondContact CB-O 3.17Å; H325-V331 HydrophobicContact CB-CG2 4.41Å; H325-Y396 PolarHBondContact CD2-OH 3.18Å; H325-Y396 VanDerWaalsContact CD2-OH 3.26Å |
| 326 | F | 92.7 | Very high | 93.8 | Very high | 61 Ų | 61 | 43.2 Ų | 43.2 | 27% | 0.268 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 109.7 | 165.4 | -64.5 | -56.4 | 0 | 0 | 0 | 109.6 | K328 E329 V330 F332 E369 H371 | F326-K328 PolarHBondContact O-N 3.41Å; F326-E329 PolarHBondContact O-N 2.93Å; F326-V330 HydrophobicContact CB-CB 4.15Å; F326-V330 HydrophobicContact CB-CG2 4.37Å; F326-V330 HydrophobicContact CD2-CB 4.25Å; F326-V330 HydrophobicContact CD2-CG1 4.49Å; F326-V330 PolarHBondContact N-O 3.34Å; F326-V330 PolarHBondContact O-N 3.36Å; F326-F332 AromaticContact CD1-CE1 3.85Å; F326-F332 HydrophobicContact CD1-CE1 3.85Å; F326-F332 HydrophobicContact CD1-CZ 4.31Å; F326-F332 AromaticContact CD2-CD1 3.63Å; F326-F332 HydrophobicContact CD2-CD1 3.63Å; F326-F332 AromaticContact CD2-CE1 3.32Å; F326-F332 HydrophobicContact CD2-CE1 3.32Å; F326-F332 HydrophobicContact CD2-CZ 4.25Å; F326-F332 AromaticContact CE1-CE1 3.74Å; F326-F332 HydrophobicContact CE1-CE1 3.74Å; F326-F332 AromaticContact CE1-CZ 3.8Å; F326-F332 HydrophobicContact CE1-CZ 3.8Å; F326-F332 AromaticContact CE2-CD1 3.6Å; F326-F332 HydrophobicContact CE2-CD1 3.6Å; F326-F332 AromaticContact CE2-CE1 3.22Å; F326-F332 HydrophobicContact CE2-CE1 3.22Å; F326-F332 HydrophobicContact CE2-CG 4.41Å; F326-F332 AromaticContact CE2-CZ 3.74Å; F326-F332 HydrophobicContact CE2-CZ 3.74Å; F326-F332 HydrophobicContact CG-CD1 4.3Å; F326-F332 AromaticContact CG-CE1 3.64Å; F326-F332 HydrophobicContact CG-CE1 3.64Å; F326-F332 HydrophobicContact CZ-CD1 4.24Å; F326-F332 AromaticContact CZ-CE1 3.43Å; F326-F332 HydrophobicContact CZ-CE1 3.43Å; F326-F332 VanDerWaalsContact CZ-CE1 3.43Å; F326-F332 HydrophobicContact CZ-CE2 4.35Å; F326-F332 AromaticContact CZ-CZ 3.49Å; F326-F332 HydrophobicContact CZ-CZ 3.49Å; F326-F332 VanDerWaalsContact CZ-CZ 3.49Å; F326-E369 VanDerWaalsContact CE1-OE2 3.26Å; F326-E369 WeakPolarHBondContact CE1-OE2 3.42Å; F326-E369 HydrophobicContact CZ-CG 4.21Å; F326-H371 HydrophobicContact CE2-CB 4.41Å; F326-H371 AromaticContact CE2-CD2 3.83Å; F326-H371 AromaticContact CE2-CE1 3.82Å; F326-H371 AromaticContact CE2-CG 3.77Å; F326-H371 AromaticContact CE2-ND1 3.75Å; F326-H371 AromaticContact CE2-NE2 3.85Å |
| 327 | R | 89.3 | Confident | 93.5 | Very high | 216 Ų | 216 | 45.7 Ų | 45.7 | 82% | 0.815 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54 | 22.3 | 178.2 | -56.2 | 179.6 | 178 | -177.6 | -1.2 | 114.1 | E329 | R327-E329 PolarHBondContact O-N 3.11Š|
| 328 | K | 89.4 | Confident | 93.3 | Very high | 74 Ų | 74 | 45.1 Ų | 45.1 | 32% | 0.322 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 21.8 | -170.7 | -53.6 | -175.7 | 178.4 | -167.3 | 0 | 113.5 | F326 R390 V391 P393 | F326-K328 PolarHBondContact O-N 3.41Å; K328-R390 HydrophobicContact CB-CB 3.88Å; K328-R390 HydrophobicContact CB-CG 4.09Å; K328-R390 CarbonylContact O-C 3.51Å; K328-R390 VanDerWaalsContact O-CA 3.28Å; K328-R390 WeakPolarHBondContact O-CA 3.44Å; K328-V391 PolarHBondContact O-N 2.82Å; K328-P393 HydrophobicContact CD-CG 4.31Å |
| 329 | E | 91.9 | Very high | 92.9 | Very high | 64 Ų | 64 | 53.1 Ų | 53.1 | 30% | 0.299 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -27.7 | 176.2 | -68.4 | -169.5 | -162.5 | 0 | 0 | 112.8 | F326 R327 L377 R384 | F326-E329 PolarHBondContact O-N 2.93Å; R327-E329 PolarHBondContact O-N 3.11Å; E329-L377 WeakPolarHBondContact O-CB 3.27Å; E329-L377 WeakPolarHBondContact O-CG 3.43Å; E329-L377 PolarHBondContact O-N 2.91Å; E329-R384 IonicContact OE2-CZ 3.61Å; E329-R384 IonicContact OE2-NH2 3.56Å; E329-R384 PolarHBondContact OE2-NH2 3.25Å |
| 330 | V | 94.6 | Very high | 92.7 | Very high | 23 Ų | 23 | 53.2 Ų | 53.2 | 14% | 0.139 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 126 | 174.6 | -167.6 | 0 | 0 | 0 | 0 | 106.6 | H325 F326 T373 M375 K376 | H325-V330 CarbonylContact C-O 3.58Å; H325-V330 WeakPolarHBondContact CA-O 3.4Å; H325-V330 WeakPolarHBondContact CB-O 3.17Å; F326-V330 HydrophobicContact CB-CB 4.15Å; F326-V330 HydrophobicContact CB-CG2 4.37Å; F326-V330 HydrophobicContact CD2-CB 4.25Å; F326-V330 HydrophobicContact CD2-CG1 4.49Å; F326-V330 PolarHBondContact N-O 3.34Å; F326-V330 PolarHBondContact O-N 3.36Å; V330-T373 HydrophobicContact CG1-CG2 3.66Å; V330-M375 WeakPolarHBondContact CA-O 3.16Å; V330-K376 HydrophobicContact CG1-CG 4.39Å; V330-K376 HydrophobicContact CG2-CG 4.04Å |
| 331 | V | 95.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 133.2 | 175.2 | -177.7 | 0 | 0 | 0 | 0 | 107.4 | I323 R324 H325 V374 M375 V391 Y396 | I323-V331 HydrophobicContact CG2-CG1 3.27Å; R324-V331 WeakPolarHBondContact O-CA 3.43Å; H325-V331 HydrophobicContact CB-CG2 4.41Å; V331-V374 PolarHBondContact O-N 3.28Å; V331-M375 HydrophobicContact CB-CE 4.34Å; V331-M375 HydrophobicContact CB-CG 3.58Å; V331-M375 HydrophobicContact CB-SD 4.1Å; V331-M375 HydrophobicContact CG2-CG 3.9Å; V331-M375 HydrophobicContact CG2-SD 3.92Å; V331-M375 PolarHBondContact N-O 2.81Å; V331-M375 PolarHBondContact O-N 3.35Å; V331-M375 VanDerWaalsContact O-N 3.15Å; V331-V391 HydrophobicContact CG2-CB 3.99Å; V331-V391 HydrophobicContact CG2-CG1 4.12Å; V331-V391 HydrophobicContact CG2-CG2 3.98Å; V331-Y396 HydrophobicContact CG1-CD1 4.31Å; V331-Y396 HydrophobicContact CG1-CE1 4.21Å; V331-Y396 HydrophobicContact CG2-CE1 4.01Å |
| 332 | F | 96.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 154.7 | -171.3 | 62.8 | -95.6 | 0 | 0 | 0 | 111 | I323 R324 F326 H371 L372 | I323-F332 WeakPolarHBondContact CA-O 3.36Å; R324-F332 HydrophobicContact CB-CD2 4.06Å; R324-F332 HydrophobicContact CB-CE1 4.15Å; R324-F332 HydrophobicContact CB-CE2 3.5Å; R324-F332 HydrophobicContact CB-CZ 3.55Å; R324-F332 HydrophobicContact CG-CE2 4.42Å; R324-F332 PolarHBondContact N-O 2.85Å; R324-F332 PolarHBondContact O-N 3.04Å; R324-F332 VanDerWaalsContact O-O 3.13Å; F326-F332 AromaticContact CD1-CE1 3.85Å; F326-F332 HydrophobicContact CD1-CE1 3.85Å; F326-F332 HydrophobicContact CD1-CZ 4.31Å; F326-F332 AromaticContact CD2-CD1 3.63Å; F326-F332 HydrophobicContact CD2-CD1 3.63Å; F326-F332 AromaticContact CD2-CE1 3.32Å; F326-F332 HydrophobicContact CD2-CE1 3.32Å; F326-F332 HydrophobicContact CD2-CZ 4.25Å; F326-F332 AromaticContact CE1-CE1 3.74Å; F326-F332 HydrophobicContact CE1-CE1 3.74Å; F326-F332 AromaticContact CE1-CZ 3.8Å; F326-F332 HydrophobicContact CE1-CZ 3.8Å; F326-F332 AromaticContact CE2-CD1 3.6Å; F326-F332 HydrophobicContact CE2-CD1 3.6Å; F326-F332 AromaticContact CE2-CE1 3.22Å; F326-F332 HydrophobicContact CE2-CE1 3.22Å; F326-F332 HydrophobicContact CE2-CG 4.41Å; F326-F332 AromaticContact CE2-CZ 3.74Å; F326-F332 HydrophobicContact CE2-CZ 3.74Å; F326-F332 HydrophobicContact CG-CD1 4.3Å; F326-F332 AromaticContact CG-CE1 3.64Å; F326-F332 HydrophobicContact CG-CE1 3.64Å; F326-F332 HydrophobicContact CZ-CD1 4.24Å; F326-F332 AromaticContact CZ-CE1 3.43Å; F326-F332 HydrophobicContact CZ-CE1 3.43Å; F326-F332 VanDerWaalsContact CZ-CE1 3.43Å; F326-F332 HydrophobicContact CZ-CE2 4.35Å; F326-F332 AromaticContact CZ-CZ 3.49Å; F326-F332 HydrophobicContact CZ-CZ 3.49Å; F326-F332 VanDerWaalsContact CZ-CZ 3.49Å; F332-H371 HydrophobicContact CB-CB 3.97Å; F332-H371 HydrophobicContact CD1-CB 4.41Å; F332-H371 HydrophobicContact CD2-CB 3.33Å; F332-H371 HydrophobicContact CE2-CB 3.75Å; F332-H371 HydrophobicContact CG-CB 3.68Å; F332-H371 HydrophobicContact CZ-CB 4.46Å; F332-L372 CarbonylContact C-O 3.57Å; F332-L372 WeakPolarHBondContact CA-O 3.1Å; F332-L372 VanDerWaalsContact CB-O 3.29Å; F332-L372 WeakPolarHBondContact CB-O 3.39Å |
| 333 | V | 96.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 131.2 | 168.3 | -172.7 | 0 | 0 | 0 | 0 | 108.5 | V254 F320 G322 L372 V374 F404 | V254-V333 HydrophobicContact CG2-CG2 4.37Å; F320-V333 HydrophobicContact CB-CG1 3.88Å; F320-V333 HydrophobicContact CD1-CB 4.45Å; F320-V333 HydrophobicContact CD1-CG1 4.16Å; F320-V333 HydrophobicContact CG-CG1 4.47Å; G322-V333 CarbonylContact O-C 3.56Å; G322-V333 WeakPolarHBondContact O-CA 3.28Å; G322-V333 WeakPolarHBondContact O-CG1 3.41Å; V333-L372 HydrophobicContact CB-CB 4.21Å; V333-L372 HydrophobicContact CB-CD2 4.46Å; V333-L372 PolarHBondContact N-O 2.91Å; V333-L372 PolarHBondContact O-N 2.95Å; V333-V374 HydrophobicContact CG2-CG2 3.7Å; V333-F404 HydrophobicContact CB-CD2 4.45Å; V333-F404 HydrophobicContact CG1-CB 4.32Å; V333-F404 HydrophobicContact CG1-CD2 3.37Å; V333-F404 HydrophobicContact CG1-CE2 3.74Å; V333-F404 HydrophobicContact CG1-CG 3.83Å; V333-F404 HydrophobicContact CG1-CZ 4.45Å; V333-F404 HydrophobicContact CG2-CD1 4.18Å; V333-F404 HydrophobicContact CG2-CD2 4.18Å; V333-F404 HydrophobicContact CG2-CE1 3.96Å; V333-F404 HydrophobicContact CG2-CE2 3.96Å; V333-F404 HydrophobicContact CG2-CG 4.29Å; V333-F404 HydrophobicContact CG2-CZ 3.85Å |
| 334 | G | 94.3 | Very high | 92.6 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 161.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F320 S321 G322 | F320-G334 WeakPolarHBondContact CA-O 3.5Å; S321-G334 PolarHBondContact N-O 2.77Å; S321-G334 CarbonylContact O-C 3.55Å; G322-G334 PolarHBondContact O-N 3.17Å |
| 335 | L | 93.8 | Very high | 92.7 | Very high | 23 Ų | 23 | 54.6 Ų | 54.6 | 12% | 0.12 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 140.1 | 160.7 | -91.9 | 73.3 | 0 | 0 | 0 | 108.7 | I280 L318 P319 F320 L344 P370 | I280-L335 HydrophobicContact CD1-CD1 4.31Å; L318-L335 HydrophobicContact CB-CD2 4.15Å; L318-L335 HydrophobicContact CD1-CD2 4.44Å; L318-L335 HydrophobicContact CD2-CD2 4.01Å; L318-L335 HydrophobicContact CG-CD2 4.42Å; P319-L335 WeakPolarHBondContact O-CA 3.42Å; F320-L335 HydrophobicContact CD1-CD1 3.7Å; F320-L335 HydrophobicContact CD1-CG 4.43Å; F320-L335 HydrophobicContact CE1-CD1 3.27Å; F320-L335 HydrophobicContact CE1-CG 4.3Å; F320-L335 HydrophobicContact CZ-CD1 4.02Å; L335-L344 HydrophobicContact CD2-CD2 3.67Å; L335-P370 HydrophobicContact CD1-CB 4.31Å; L335-P370 HydrophobicContact CD2-CB 4.41Å; L335-P370 HydrophobicContact CD2-CG 4.15Å |
| 336 | D | 89.4 | Confident | 92.7 | Very high | 89 Ų | 89 | 53.7 Ų | 53.7 | 48% | 0.476 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 166.6 | 172.9 | -157.2 | 4.3 | 0 | 0 | 0 | 111.5 | P319 H340 | P319-D336 HydrophobicContact CB-CB 4.37Å; P319-D336 HydrophobicContact CG-CB 4.14Å; P319-D336 PolarHBondContact O-N 2.92Å; P319-D336 VanDerWaalsContact O-N 3.08Å; D336-H340 PolarHBondContact O-CE1 2.78Å; D336-H340 PolarHBondContact O-NE2 2.83Å |
| 337 | G | 87.9 | Confident | 92.8 | Very high | 59 Ų | 59 | 50.8 Ų | 50.8 | 61% | 0.608 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -70 | 149.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 338 | G | 89.8 | Confident | 93.1 | Very high | 42 Ų | 42 | 40.6 Ų | 40.6 | 43% | 0.433 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 160.5 | -176.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | H340 R341 P342 | G338-H340 PolarHBondContact O-N 2.82Å; G338-R341 WeakPolarHBondContact O-CB 3.29Å; G338-R341 PolarHBondContact O-N 2.88Å; G338-R341 VanDerWaalsContact O-N 3.1Å; G338-P342 WeakPolarHBondContact O-CD 3.3Å |
| 339 | E | 88 | Confident | 93.3 | Very high | 167 Ų | 167 | 40.5 Ų | 40.5 | 78% | 0.78 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22.5 | -179.5 | -60.9 | -164.9 | 142.8 | 0 | 0 | 113.7 | R341 P342 T343 | E339-R341 VanDerWaalsContact C-N 3.27Å; E339-R341 PolarHBondContact O-N 3.06Å; E339-P342 WeakPolarHBondContact O-CD 3.39Å; E339-T343 PolarHBondContact O-OG1 3.31Å; E339-T343 VanDerWaalsContact O-OG1 3.14Å |
| 340 | H | 91.8 | Very high | 93.5 | Very high | 22 Ų | 22 | 39.1 Ų | 39.1 | 10% | 0.102 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.9 | -26.5 | 176.4 | 63.7 | -88.3 | 0 | 0 | 0 | 112.3 | L316 V317 L318 P319 D336 G338 T343 L344 | L316-H340 HydrophobicContact CD1-CB 3.96Å; V317-H340 WeakPolarHBondContact O-CB 3.29Å; L318-H340 HydrophobicContact CD2-CB 4.28Å; P319-H340 WeakPolarHBondContact CD-CE1 3.23Å; P319-H340 WeakPolarHBondContact CD-ND1 3.2Å; P319-H340 WeakPolarHBondContact CG-CE1 3.43Å; D336-H340 PolarHBondContact O-CE1 2.78Å; D336-H340 PolarHBondContact O-NE2 2.83Å; G338-H340 PolarHBondContact O-N 2.82Å; H340-T343 PolarHBondContact O-N 2.83Å; H340-L344 VanDerWaalsContact O-CB 3.31Å; H340-L344 WeakPolarHBondContact O-CB 3.35Å; H340-L344 PolarHBondContact O-N 2.81Å |
| 341 | R | 93.4 | Very high | 93.5 | Very high | 64 Ų | 64 | 38 Ų | 38 | 24% | 0.242 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68 | -52.2 | -173.8 | -171.2 | 83.2 | -178.2 | 86 | 10.2 | 112.4 | G338 E339 T343 L344 D345 F368 P370 | G338-R341 WeakPolarHBondContact O-CB 3.29Å; G338-R341 PolarHBondContact O-N 2.88Å; G338-R341 VanDerWaalsContact O-N 3.1Å; E339-R341 VanDerWaalsContact C-N 3.27Å; E339-R341 PolarHBondContact O-N 3.06Å; R341-T343 VanDerWaalsContact C-N 3.26Å; R341-T343 PolarHBondContact O-N 3.17Å; R341-L344 PolarHBondContact O-N 2.98Å; R341-D345 IonicContact CZ-OD1 3.58Å; R341-D345 IonicContact CZ-OD2 2.86Å; R341-D345 IonicContact NH1-OD1 2.95Å; R341-D345 PolarHBondContact NH1-OD1 2.86Å; R341-D345 IonicContact NH1-OD2 3.02Å; R341-D345 IonicContact NH2-OD1 3.35Å; R341-D345 PolarHBondContact O-N 2.88Å; R341-F368 PolarHBondContact NH2-O 2.83Å; R341-F368 VanDerWaalsContact NH2-O 3.11Å; R341-P370 VanDerWaalsContact CZ-CG 3.43Å |
| 342 | P | 94 | Very high | 93.4 | Very high | 77 Ų | 77 | 39.8 Ų | 39.8 | 50% | 0.5 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.1 | -34.2 | 174.4 | -22.7 | 34 | 0 | 0 | 0 | 113.3 | G338 E339 D345 S346 | G338-P342 WeakPolarHBondContact O-CD 3.3Å; E339-P342 WeakPolarHBondContact O-CD 3.39Å; P342-D345 PolarHBondContact O-N 3.28Å; P342-S346 WeakPolarHBondContact O-CB 3.42Å; P342-S346 PolarHBondContact O-N 2.85Å; P342-S346 PolarHBondContact O-OG 3.15Å |
| 343 | T | 94 | Very high | 93.2 | Very high | 35 Ų | 35 | 45.8 Ų | 45.8 | 22% | 0.215 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.4 | -45 | 177.5 | -53.3 | 0 | 0 | 0 | 0 | 110.9 | L311 L316 E339 H340 R341 S346 L347 | L311-T343 HydrophobicContact CD2-CG2 4.04Å; L316-T343 HydrophobicContact CD1-CG2 3.96Å; E339-T343 PolarHBondContact O-OG1 3.31Å; E339-T343 VanDerWaalsContact O-OG1 3.14Å; H340-T343 PolarHBondContact O-N 2.83Å; R341-T343 VanDerWaalsContact C-N 3.26Å; R341-T343 PolarHBondContact O-N 3.17Å; T343-S346 PolarHBondContact O-N 2.95Å; T343-L347 WeakPolarHBondContact O-CB 3.5Å; T343-L347 PolarHBondContact O-N 2.93Å |
| 344 | L | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 175.8 | -177.5 | 63.3 | 0 | 0 | 0 | 112.1 | I243 L282 L316 L318 L335 H340 R341 L347 A348 F368 P370 | I243-L344 HydrophobicContact CD1-CD1 3.69Å; L282-L344 HydrophobicContact CD2-CD1 3.85Å; L316-L344 HydrophobicContact CD2-CB 4.49Å; L316-L344 HydrophobicContact CD2-CD1 4.22Å; L318-L344 HydrophobicContact CD1-CD1 4.42Å; L318-L344 HydrophobicContact CD1-CD2 4.2Å; L318-L344 HydrophobicContact CD2-CB 4.43Å; L318-L344 HydrophobicContact CD2-CD2 3.93Å; L335-L344 HydrophobicContact CD2-CD2 3.67Å; H340-L344 VanDerWaalsContact O-CB 3.31Å; H340-L344 WeakPolarHBondContact O-CB 3.35Å; H340-L344 PolarHBondContact O-N 2.81Å; R341-L344 PolarHBondContact O-N 2.98Å; L344-L347 HydrophobicContact CD1-CD2 4.43Å; L344-L347 WeakPolarHBondContact O-CB 3.35Å; L344-L347 PolarHBondContact O-N 3.19Å; L344-A348 WeakPolarHBondContact O-CB 3.41Å; L344-A348 PolarHBondContact O-N 3.26Å; L344-F368 HydrophobicContact CD2-CE1 4.41Å; L344-F368 HydrophobicContact CD2-CZ 4.37Å; L344-F368 HydrophobicContact CG-CE1 3.97Å; L344-F368 HydrophobicContact CG-CZ 4.13Å; L344-P370 HydrophobicContact CD2-CB 3.76Å; L344-P370 HydrophobicContact CD2-CG 3.8Å |
| 345 | D | 94.6 | Very high | 93.1 | Very high | 52 Ų | 52 | 49.7 Ų | 49.7 | 28% | 0.278 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.1 | -48.5 | 173.9 | -71.4 | -30.4 | 0 | 0 | 0 | 110.4 | R341 P342 L347 A348 E349 F368 | R341-D345 IonicContact CZ-OD1 3.58Å; R341-D345 IonicContact CZ-OD2 2.86Å; R341-D345 IonicContact NH1-OD1 2.95Å; R341-D345 PolarHBondContact NH1-OD1 2.86Å; R341-D345 IonicContact NH1-OD2 3.02Å; R341-D345 IonicContact NH2-OD1 3.35Å; R341-D345 PolarHBondContact O-N 2.88Å; P342-D345 PolarHBondContact O-N 3.28Å; D345-L347 VanDerWaalsContact C-N 3.27Å; D345-L347 PolarHBondContact O-N 2.93Å; D345-A348 PolarHBondContact O-N 3.46Å; D345-A348 VanDerWaalsContact O-N 3.15Å; D345-E349 WeakPolarHBondContact O-CG 3.5Å; D345-E349 PolarHBondContact O-N 3.26Å; D345-F368 WeakPolarHBondContact OD1-CD1 2.88Å |
| 346 | S | 94.9 | Very high | 93.1 | Very high | 52 Ų | 52 | 52.7 Ų | 52.7 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.1 | -37.2 | 176.7 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | P342 T343 E349 L350 | P342-S346 WeakPolarHBondContact O-CB 3.42Å; P342-S346 PolarHBondContact O-N 2.85Å; P342-S346 PolarHBondContact O-OG 3.15Å; T343-S346 PolarHBondContact O-N 2.95Å; S346-E349 PolarHBondContact O-N 3.22Å; S346-L350 VanDerWaalsContact O-CB 3.28Å; S346-L350 WeakPolarHBondContact O-CB 3.49Å; S346-L350 PolarHBondContact O-N 3.35Å |
| 347 | L | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.7 | -47.5 | 174.6 | 179.3 | 61 | 0 | 0 | 0 | 111.3 | L282 V307 L310 L316 T343 L344 D345 E349 L350 V351 L412 | L282-L347 HydrophobicContact CD1-CD2 4.39Å; L282-L347 HydrophobicContact CD1-CG 4.43Å; V307-L347 HydrophobicContact CB-CD1 4.28Å; V307-L347 HydrophobicContact CG1-CD1 3.6Å; V307-L347 HydrophobicContact CG2-CD1 3.71Å; L310-L347 HydrophobicContact CD2-CB 3.94Å; L310-L347 HydrophobicContact CD2-CD1 4.35Å; L316-L347 HydrophobicContact CD2-CD2 4.06Å; T343-L347 WeakPolarHBondContact O-CB 3.5Å; T343-L347 PolarHBondContact O-N 2.93Å; L344-L347 HydrophobicContact CD1-CD2 4.43Å; L344-L347 WeakPolarHBondContact O-CB 3.35Å; L344-L347 PolarHBondContact O-N 3.19Å; D345-L347 VanDerWaalsContact C-N 3.27Å; D345-L347 PolarHBondContact O-N 2.93Å; L347-E349 VanDerWaalsContact C-N 3.3Å; L347-E349 PolarHBondContact O-N 3.44Å; L347-L350 PolarHBondContact O-N 2.81Å; L347-V351 HydrophobicContact CD1-CG2 4.45Å; L347-V351 WeakPolarHBondContact O-CG2 3.24Å; L347-V351 PolarHBondContact O-N 3.23Å; L347-L412 HydrophobicContact CD1-CD1 4.22Å; L347-L412 HydrophobicContact CD2-CD1 4.48Å; L347-L412 HydrophobicContact CD2-CD2 4.38Å |
| 348 | A | 94.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L282 L344 D345 R352 F368 | L282-A348 HydrophobicContact CD2-CB 4.2Å; L344-A348 WeakPolarHBondContact O-CB 3.41Å; L344-A348 PolarHBondContact O-N 3.26Å; D345-A348 PolarHBondContact O-N 3.46Å; D345-A348 VanDerWaalsContact O-N 3.15Å; A348-R352 WeakPolarHBondContact O-CB 3.15Å; A348-R352 PolarHBondContact O-N 2.86Å; A348-F368 HydrophobicContact CB-CD1 3.55Å; A348-F368 HydrophobicContact CB-CD2 4.25Å; A348-F368 HydrophobicContact CB-CE1 3.54Å; A348-F368 HydrophobicContact CB-CE2 4.24Å; A348-F368 HydrophobicContact CB-CG 3.92Å; A348-F368 HydrophobicContact CB-CZ 3.89Å |
| 349 | E | 94.5 | Very high | 93.5 | Very high | 72 Ų | 72 | 56.4 Ų | 56.4 | 34% | 0.336 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 174 | -58.8 | -134.4 | 133.4 | 0 | 0 | 112.5 | D345 S346 L347 R352 R353 | D345-E349 WeakPolarHBondContact O-CG 3.5Å; D345-E349 PolarHBondContact O-N 3.26Å; S346-E349 PolarHBondContact O-N 3.22Å; L347-E349 VanDerWaalsContact C-N 3.3Å; L347-E349 PolarHBondContact O-N 3.44Å; E349-R352 PolarHBondContact O-N 2.92Å; E349-R352 IonicContact OE1-CZ 3.43Å; E349-R352 IonicContact OE1-NH2 3.59Å; E349-R352 PolarHBondContact OE1-NH2 2.82Å; E349-R352 IonicContact OE2-NH2 3.55Å; E349-R353 WeakPolarHBondContact O-CB 3.46Å; E349-R353 WeakPolarHBondContact O-CG 3.4Å; E349-R353 PolarHBondContact O-N 3.04Å; E349-R353 IonicContact OE2-CZ 3.86Å; E349-R353 IonicContact OE2-NE 2.65Å; E349-R353 IonicContact OE2-NH2 3.52Å; E349-R353 PolarHBondContact OE2-NH2 2.58Å |
| 350 | L | 94.8 | Very high | 93.7 | Very high | 35 Ų | 35 | 48.8 Ų | 48.8 | 18% | 0.183 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.5 | -51.6 | 179.4 | 175.1 | 63.6 | 0 | 0 | 0 | 110.5 | V307 S346 L347 R352 R353 R354 | V307-L350 HydrophobicContact CB-CD2 4.47Å; V307-L350 HydrophobicContact CG2-CD2 3.73Å; S346-L350 VanDerWaalsContact O-CB 3.28Å; S346-L350 WeakPolarHBondContact O-CB 3.49Å; S346-L350 PolarHBondContact O-N 3.35Å; L347-L350 PolarHBondContact O-N 2.81Å; L350-R352 VanDerWaalsContact C-N 3.33Å; L350-R352 PolarHBondContact O-N 3.18Å; L350-R353 PolarHBondContact O-N 3.3Å; L350-R354 VanDerWaalsContact O-CG 3.31Å; L350-R354 WeakPolarHBondContact O-CG 3.34Å; L350-R354 PolarHBondContact O-N 2.9Å |
| 351 | V | 94.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 178.3 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | V241 L283 L300 L347 R354 F355 L412 | V241-V351 HydrophobicContact CB-CG1 4.46Å; V241-V351 HydrophobicContact CG1-CG1 4.35Å; V241-V351 HydrophobicContact CG2-CG1 4.11Å; L283-V351 HydrophobicContact CD2-CG1 4.24Å; L300-V351 HydrophobicContact CD1-CG1 4.44Å; L347-V351 HydrophobicContact CD1-CG2 4.45Å; L347-V351 WeakPolarHBondContact O-CG2 3.24Å; L347-V351 PolarHBondContact O-N 3.23Å; V351-R354 PolarHBondContact O-N 3Å; V351-F355 HydrophobicContact CG1-CD2 4.08Å; V351-F355 HydrophobicContact CG1-CE2 4Å; V351-F355 VanDerWaalsContact O-CD2 3.22Å; V351-F355 WeakPolarHBondContact O-CD2 3.43Å; V351-F355 PolarHBondContact O-N 2.89Å; V351-F355 VanDerWaalsContact O-N 3.11Å; V351-L412 HydrophobicContact CG2-CD1 4.12Å |
| 352 | R | 94 | Very high | 92.3 | Very high | 37 Ų | 37 | 53.9 Ų | 53.9 | 14% | 0.14 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 176.9 | -179.1 | -179.9 | 66.7 | -112 | 7.8 | 111.9 | L283 A348 E349 L350 R354 F355 E356 L361 | L283-R352 HydrophobicContact CD1-CB 4.17Å; L283-R352 HydrophobicContact CD1-CG 4.09Å; A348-R352 WeakPolarHBondContact O-CB 3.15Å; A348-R352 PolarHBondContact O-N 2.86Å; E349-R352 PolarHBondContact O-N 2.92Å; E349-R352 IonicContact OE1-CZ 3.43Å; E349-R352 IonicContact OE1-NH2 3.59Å; E349-R352 PolarHBondContact OE1-NH2 2.82Å; E349-R352 IonicContact OE2-NH2 3.55Å; L350-R352 VanDerWaalsContact C-N 3.33Å; L350-R352 PolarHBondContact O-N 3.18Å; R352-R354 VanDerWaalsContact C-N 3.34Å; R352-R354 PolarHBondContact O-N 3.28Å; R352-F355 PolarHBondContact O-N 3.36Å; R352-E356 VanDerWaalsContact CG-OE1 3.31Å; R352-E356 WeakPolarHBondContact CG-OE1 3.15Å; R352-E356 WeakPolarHBondContact O-CB 3.47Å; R352-E356 PolarHBondContact O-N 3.09Å; R352-L361 HydrophobicContact CG-CD1 3.91Å; R352-L361 WeakPolarHBondContact O-CD1 3.29Å |
| 353 | R | 93.2 | Very high | 90.7 | Very high | 131 Ų | 131 | 53.4 Ų | 53.4 | 49% | 0.494 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 179.2 | -73.7 | 174.8 | -165.2 | -168.5 | 8.2 | 111.3 | E349 L350 F355 E356 E357 | E349-R353 WeakPolarHBondContact O-CB 3.46Å; E349-R353 WeakPolarHBondContact O-CG 3.4Å; E349-R353 PolarHBondContact O-N 3.04Å; E349-R353 IonicContact OE2-CZ 3.86Å; E349-R353 IonicContact OE2-NE 2.65Å; E349-R353 IonicContact OE2-NH2 3.52Å; E349-R353 PolarHBondContact OE2-NH2 2.58Å; L350-R353 PolarHBondContact O-N 3.3Å; R353-F355 VanDerWaalsContact C-N 3.32Å; R353-F355 PolarHBondContact O-N 2.79Å; R353-E356 PolarHBondContact O-N 3.36Å; R353-E357 WeakPolarHBondContact O-CB 3.47Å; R353-E357 VanDerWaalsContact O-CG 3.29Å; R353-E357 WeakPolarHBondContact O-CG 3.41Å; R353-E357 PolarHBondContact O-N 3.44Å |
| 354 | R | 94.3 | Very high | 88.8 | Confident | 83 Ų | 83 | 59.2 Ų | 59.2 | 31% | 0.313 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 176.5 | -68.9 | -60.7 | -169.8 | -177.6 | 5.8 | 112.9 | V299 A303 S306 L350 V351 R352 E357 Q358 | V299-R354 HydrophobicContact CG1-CB 3.76Å; A303-R354 HydrophobicContact CB-CG 4.39Å; S306-R354 PolarHBondContact OG-NH2 3.2Å; L350-R354 VanDerWaalsContact O-CG 3.31Å; L350-R354 WeakPolarHBondContact O-CG 3.34Å; L350-R354 PolarHBondContact O-N 2.9Å; V351-R354 PolarHBondContact O-N 3Å; R352-R354 VanDerWaalsContact C-N 3.34Å; R352-R354 PolarHBondContact O-N 3.28Å; R354-E357 IonicContact NH1-OE2 3.52Å; R354-Q358 WeakPolarHBondContact O-CG 3.22Å |
| 355 | F | 94.2 | Very high | 87.2 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 0% | 0.004 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -73.2 | -36 | 176.3 | -83.8 | -118.9 | 0 | 0 | 0 | 112.2 | V241 L283 T285 A296 V299 L300 V351 R352 R353 Q358 G359 L360 L361 | V241-F355 HydrophobicContact CG2-CE1 4.48Å; V241-F355 HydrophobicContact CG2-CE2 4.4Å; V241-F355 HydrophobicContact CG2-CZ 3.96Å; L283-F355 HydrophobicContact CD2-CB 3.85Å; L283-F355 HydrophobicContact CD2-CD1 3.72Å; L283-F355 HydrophobicContact CD2-CD2 4.06Å; L283-F355 HydrophobicContact CD2-CE1 4.26Å; L283-F355 HydrophobicContact CD2-CG 3.6Å; T285-F355 HydrophobicContact CG2-CD1 4.48Å; T285-F355 HydrophobicContact CG2-CE1 4.39Å; A296-F355 HydrophobicContact CB-CE1 3.82Å; A296-F355 HydrophobicContact CB-CZ 4.21Å; V299-F355 HydrophobicContact CB-CE2 4.48Å; V299-F355 HydrophobicContact CG1-CD2 3.71Å; V299-F355 HydrophobicContact CG1-CE2 3.88Å; V299-F355 HydrophobicContact CG1-CG 4.45Å; L300-F355 HydrophobicContact CB-CE2 4.42Å; V351-F355 HydrophobicContact CG1-CD2 4.08Å; V351-F355 HydrophobicContact CG1-CE2 4Å; V351-F355 VanDerWaalsContact O-CD2 3.22Å; V351-F355 WeakPolarHBondContact O-CD2 3.43Å; V351-F355 PolarHBondContact O-N 2.89Å; V351-F355 VanDerWaalsContact O-N 3.11Å; R352-F355 PolarHBondContact O-N 3.36Å; R353-F355 VanDerWaalsContact C-N 3.32Å; R353-F355 PolarHBondContact O-N 2.79Å; F355-Q358 PolarHBondContact O-N 3.14Å; F355-G359 PolarHBondContact O-N 3.12Å; F355-L360 HydrophobicContact CB-CB 4.3Å; F355-L360 HydrophobicContact CD1-CB 4.05Å; F355-L360 HydrophobicContact CD1-CD1 3.92Å; F355-L360 HydrophobicContact CE1-CD1 4.31Å; F355-L360 HydrophobicContact CG-CD1 4.32Å; F355-L360 WeakPolarHBondContact O-CB 3.47Å; F355-L360 PolarHBondContact O-N 2.7Å; F355-L361 HydrophobicContact CB-CD1 3.56Å; F355-L361 HydrophobicContact CB-CG 3.9Å |
| 356 | E | 92.8 | Very high | 86.1 | Confident | 87 Ų | 87 | 71.7 Ų | 71.7 | 41% | 0.407 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 175.1 | -90.2 | 165 | -159.7 | 0 | 0 | 111.8 | R352 R353 Q358 G359 L361 | R352-E356 VanDerWaalsContact CG-OE1 3.31Å; R352-E356 WeakPolarHBondContact CG-OE1 3.15Å; R352-E356 WeakPolarHBondContact O-CB 3.47Å; R352-E356 PolarHBondContact O-N 3.09Å; R353-E356 PolarHBondContact O-N 3.36Å; E356-Q358 PolarHBondContact O-N 3.24Å; E356-Q358 VanDerWaalsContact O-N 3.17Å; E356-G359 PolarHBondContact O-N 3.07Å; E356-L361 HydrophobicContact CB-CD1 4.45Å; E356-L361 HydrophobicContact CG-CB 3.9Å; E356-L361 HydrophobicContact CG-CD1 3.71Å; E356-L361 HydrophobicContact CG-CG 4.41Å |
| 357 | E | 92.5 | Very high | 85.5 | Confident | 126 Ų | 126 | 77 Ų | 77 | 59% | 0.589 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -56.3 | -31 | 178 | -77.2 | 167.7 | -172.5 | 0 | 0 | 112.7 | R353 R354 | R353-E357 WeakPolarHBondContact O-CB 3.47Å; R353-E357 VanDerWaalsContact O-CG 3.29Å; R353-E357 WeakPolarHBondContact O-CG 3.41Å; R353-E357 PolarHBondContact O-N 3.44Å; R354-E357 IonicContact NH1-OE2 3.52Å |
| 358 | Q | 93.4 | Very high | 85.2 | Confident | 92 Ų | 92 | 78.9 Ų | 78.9 | 43% | 0.43 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 8.3 | -178.5 | -60.4 | -68.1 | -27.8 | 0 | 0 | 112.7 | V299 R354 F355 E356 L360 | V299-Q358 HydrophobicContact CG2-CB 4.12Å; V299-Q358 HydrophobicContact CG2-CG 3.59Å; R354-Q358 WeakPolarHBondContact O-CG 3.22Å; F355-Q358 PolarHBondContact O-N 3.14Å; E356-Q358 PolarHBondContact O-N 3.24Å; E356-Q358 VanDerWaalsContact O-N 3.17Å; Q358-L360 HydrophobicContact CB-CD1 4.15Å; Q358-L360 HydrophobicContact CB-CG 4.1Å; Q358-L360 PolarHBondContact O-N 3.4Å |
| 359 | G | 90.4 | Very high | 85.1 | Confident | 49 Ų | 49 | 83.7 Ų | 83.7 | 51% | 0.505 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 17.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | F355 E356 L361 | F355-G359 PolarHBondContact O-N 3.12Å; E356-G359 PolarHBondContact O-N 3.07Å; G359-L361 VanDerWaalsContact C-N 3.29Å; G359-L361 PolarHBondContact O-N 3.44Å |
| 360 | L | 90.6 | Very high | 85 | Confident | 7 Ų | 7 | 80.5 Ų | 80.5 | 4% | 0.037 | 41% | 0.409 | C | S | . | . | trans | -83 | -4.2 | -178.9 | -62 | 172.5 | 0 | 0 | 0 | 112.8 | T285 L287 Q292 L295 A296 V299 F355 Q358 | T285-L360 PolarHBondContact OG1-O 3.21Å; L287-L360 HydrophobicContact CD2-CD2 4.04Å; Q292-L360 HydrophobicContact CB-CD2 4.33Å; Q292-L360 HydrophobicContact CG-CD2 4.4Å; L295-L360 HydrophobicContact CD2-CD2 4.03Å; L295-L360 HydrophobicContact CD2-CG 4.47Å; L295-L360 HydrophobicContact CG-CD1 4.33Å; L295-L360 HydrophobicContact CG-CD2 4.34Å; A296-L360 HydrophobicContact CB-CD1 3.88Å; V299-L360 HydrophobicContact CG2-CD1 4.26Å; F355-L360 HydrophobicContact CB-CB 4.3Å; F355-L360 HydrophobicContact CD1-CB 4.05Å; F355-L360 HydrophobicContact CD1-CD1 3.92Å; F355-L360 HydrophobicContact CE1-CD1 4.31Å; F355-L360 HydrophobicContact CG-CD1 4.32Å; F355-L360 WeakPolarHBondContact O-CB 3.47Å; F355-L360 PolarHBondContact O-N 2.7Å; Q358-L360 HydrophobicContact CB-CD1 4.15Å; Q358-L360 HydrophobicContact CB-CG 4.1Å; Q358-L360 PolarHBondContact O-N 3.4Å | ||
| 361 | L | 85.8 | Confident | 85 | Confident | 37 Ų | 37 | 80.9 Ų | 80.9 | 19% | 0.194 | 41% | 0.41 | C | S | . | . | trans | -119.2 | 129.1 | 180 | -72.3 | 168.9 | 0 | 0 | 0 | 111.3 | L283 V284 R352 F355 E356 G359 | L283-L361 HydrophobicContact CD1-CD1 3.79Å; L283-L361 HydrophobicContact CD1-CD2 3.84Å; L283-L361 HydrophobicContact CD1-CG 4.49Å; L283-L361 HydrophobicContact CD2-CD1 4.02Å; L283-L361 HydrophobicContact CD2-CD2 4.22Å; L283-L361 HydrophobicContact CG-CD1 4.46Å; L283-L361 HydrophobicContact CG-CD2 4.2Å; V284-L361 WeakPolarHBondContact O-CD2 3.19Å; R352-L361 HydrophobicContact CG-CD1 3.91Å; R352-L361 WeakPolarHBondContact O-CD1 3.29Å; F355-L361 HydrophobicContact CB-CD1 3.56Å; F355-L361 HydrophobicContact CB-CG 3.9Å; E356-L361 HydrophobicContact CB-CD1 4.45Å; E356-L361 HydrophobicContact CG-CB 3.9Å; E356-L361 HydrophobicContact CG-CD1 3.71Å; E356-L361 HydrophobicContact CG-CG 4.41Å; G359-L361 VanDerWaalsContact C-N 3.29Å; G359-L361 PolarHBondContact O-N 3.44Å | ||
| 362 | Q | 70.1 | Confident | 85.1 | Confident | 156 Ų | 156 | 80.9 Ų | 80.9 | 73% | 0.729 | 41% | 0.41 | S | S | * | . | trans | -125 | 85.4 | 175.7 | -67.1 | -177.1 | 16.7 | 0 | 0 | 109.4 | ||||
| 363 | G | 60.9 | Low | 85.2 | Confident | 68 Ų | 68 | 80.5 Ų | 80.5 | 70% | 0.701 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 169.6 | 169.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 364 | D | 54.2 | Low | 85.4 | Confident | 157 Ų | 157 | 74.3 Ų | 74.3 | 84% | 0.84 | 39% | 0.388 | S | S | * | . | trans | -66 | 138.3 | 179.5 | -60.5 | -39.1 | 0 | 0 | 0 | 111.2 | R366 | D364-R366 PolarHBondContact O-N 3.07Š| ||
| 365 | C | 60.9 | Low | 85.4 | Confident | 94 Ų | 94 | 70.3 Ų | 70.3 | 64% | 0.635 | 37% | 0.373 | S | S | * | . | trans | -60.4 | 102.2 | 169.3 | -133.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 366 | R | 72.8 | Confident | 85.4 | Confident | 220 Ų | 220 | 74.5 Ų | 74.5 | 83% | 0.83 | 39% | 0.392 | S | S | * | . | trans | -87.4 | 141.4 | 168.1 | -70.9 | 179.8 | 178.6 | -110.5 | -4.7 | 108 | D364 F368 | D364-R366 PolarHBondContact O-N 3.07Å; R366-F368 PolarHBondContact O-N 2.86Å | ||
| 367 | D | 81.8 | Confident | 85.4 | Confident | 164 Ų | 164 | 70.5 Ų | 70.5 | 88% | 0.877 | 37% | 0.373 | S | S | * | . | trans | -55.6 | 130.1 | 172.7 | -56.4 | -35.7 | 0 | 0 | 0 | 109.5 | E369 | D367-E369 PolarHBondContact O-N 2.9Š| ||
| 368 | F | 89.5 | Confident | 85.3 | Confident | 39 Ų | 39 | 67.5 Ų | 67.5 | 17% | 0.171 | 37% | 0.366 | C | S | . | . | trans | -82.5 | 109.3 | 179.7 | 169 | -116.2 | 0 | 0 | 0 | 109.5 | T281 L282 R341 L344 D345 A348 R366 P370 | T281-F368 WeakPolarHBondContact O-CE2 3.32Å; L282-F368 HydrophobicContact CD2-CE1 4.49Å; L282-F368 HydrophobicContact CD2-CE2 4.07Å; L282-F368 HydrophobicContact CD2-CZ 3.62Å; R341-F368 PolarHBondContact NH2-O 2.83Å; R341-F368 VanDerWaalsContact NH2-O 3.11Å; L344-F368 HydrophobicContact CD2-CE1 4.41Å; L344-F368 HydrophobicContact CD2-CZ 4.37Å; L344-F368 HydrophobicContact CG-CE1 3.97Å; L344-F368 HydrophobicContact CG-CZ 4.13Å; D345-F368 WeakPolarHBondContact OD1-CD1 2.88Å; A348-F368 HydrophobicContact CB-CD1 3.55Å; A348-F368 HydrophobicContact CB-CD2 4.25Å; A348-F368 HydrophobicContact CB-CE1 3.54Å; A348-F368 HydrophobicContact CB-CE2 4.24Å; A348-F368 HydrophobicContact CB-CG 3.92Å; A348-F368 HydrophobicContact CB-CZ 3.89Å; R366-F368 PolarHBondContact O-N 2.86Å; F368-P370 HydrophobicContact CE1-CB 4.29Å; F368-P370 HydrophobicContact CE1-CG 4.28Å; F368-P370 HydrophobicContact CE2-CB 4.18Å; F368-P370 HydrophobicContact CZ-CB 3.72Å; F368-P370 HydrophobicContact CZ-CG 4.2Å | ||
| 369 | E | 91.6 | Very high | 85.2 | Confident | 101 Ų | 101 | 69 Ų | 69 | 47% | 0.472 | 37% | 0.367 | S | S | . | . | trans | -114.5 | 99.2 | 175.3 | -169.2 | 172.8 | 178.3 | 0 | 0 | 108.1 | F326 D367 H371 | F326-E369 VanDerWaalsContact CE1-OE2 3.26Å; F326-E369 WeakPolarHBondContact CE1-OE2 3.42Å; F326-E369 HydrophobicContact CZ-CG 4.21Å; D367-E369 PolarHBondContact O-N 2.9Å; E369-H371 PolarHBondContact O-N 3.48Å; E369-H371 PolarHBondContact O-ND1 2.86Å | ||
| 370 | P | 93.1 | Very high | 85.1 | Confident | 6 Ų | 6 | 67 Ų | 67 | 4% | 0.039 | 35% | 0.347 | C | S | . | . | trans | -69 | 131.8 | 178.7 | 30.4 | -33.1 | 0 | 0 | 0 | 109.2 | I280 L335 R341 L344 F368 | I280-P370 HydrophobicContact CG2-CB 3.74Å; L335-P370 HydrophobicContact CD1-CB 4.31Å; L335-P370 HydrophobicContact CD2-CB 4.41Å; L335-P370 HydrophobicContact CD2-CG 4.15Å; R341-P370 VanDerWaalsContact CZ-CG 3.43Å; L344-P370 HydrophobicContact CD2-CB 3.76Å; L344-P370 HydrophobicContact CD2-CG 3.8Å; F368-P370 HydrophobicContact CE1-CB 4.29Å; F368-P370 HydrophobicContact CE1-CG 4.28Å; F368-P370 HydrophobicContact CE2-CB 4.18Å; F368-P370 HydrophobicContact CZ-CB 3.72Å; F368-P370 HydrophobicContact CZ-CG 4.2Å | ||
| 371 | H | 94.8 | Very high | 84.9 | Confident | 43 Ų | 43 | 70.1 Ų | 70.1 | 20% | 0.199 | 37% | 0.369 | C | S | . | . | trans | -150.5 | 144.2 | -178.1 | 56 | -82.1 | 0 | 0 | 0 | 109.7 | F326 F332 E369 T373 | F326-H371 HydrophobicContact CE2-CB 4.41Å; F326-H371 AromaticContact CE2-CD2 3.83Å; F326-H371 AromaticContact CE2-CE1 3.82Å; F326-H371 AromaticContact CE2-CG 3.77Å; F326-H371 AromaticContact CE2-ND1 3.75Å; F326-H371 AromaticContact CE2-NE2 3.85Å; F332-H371 HydrophobicContact CB-CB 3.97Å; F332-H371 HydrophobicContact CD1-CB 4.41Å; F332-H371 HydrophobicContact CD2-CB 3.33Å; F332-H371 HydrophobicContact CE2-CB 3.75Å; F332-H371 HydrophobicContact CG-CB 3.68Å; F332-H371 HydrophobicContact CZ-CB 4.46Å; E369-H371 PolarHBondContact O-N 3.48Å; E369-H371 PolarHBondContact O-ND1 2.86Å; H371-T373 PolarHBondContact CD2-OG1 3.15Å; H371-T373 VanDerWaalsContact CD2-OG1 3.28Å | ||
| 372 | L | 96.6 | Very high | 85 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 101.5 | 174 | 174.9 | 60.5 | 0 | 0 | 0 | 109.5 | I245 I250 V254 L278 F320 F332 V333 V374 | I245-L372 HydrophobicContact CD1-CD1 4.1Å; I245-L372 HydrophobicContact CD1-CD2 4.49Å; I245-L372 HydrophobicContact CG1-CD1 3.67Å; I245-L372 HydrophobicContact CG1-CD2 4.38Å; I250-L372 HydrophobicContact CG2-CD2 3.77Å; V254-L372 HydrophobicContact CG2-CD2 4.22Å; L278-L372 HydrophobicContact CB-CD1 3.95Å; L278-L372 HydrophobicContact CD2-CD1 3.99Å; L278-L372 HydrophobicContact CG-CD1 4.46Å; F320-L372 HydrophobicContact CD1-CB 3.95Å; F320-L372 HydrophobicContact CD1-CD2 4.15Å; F320-L372 HydrophobicContact CE1-CB 3.4Å; F320-L372 VanDerWaalsContact CE1-CB 3.4Å; F320-L372 HydrophobicContact CE1-CD2 4.01Å; F320-L372 HydrophobicContact CE1-CG 4.3Å; F320-L372 HydrophobicContact CE2-CD2 4.46Å; F320-L372 HydrophobicContact CG-CD2 4.43Å; F320-L372 HydrophobicContact CZ-CB 4Å; F320-L372 HydrophobicContact CZ-CD2 4.11Å; F332-L372 CarbonylContact C-O 3.57Å; F332-L372 WeakPolarHBondContact CA-O 3.1Å; F332-L372 VanDerWaalsContact CB-O 3.29Å; F332-L372 WeakPolarHBondContact CB-O 3.39Å; V333-L372 HydrophobicContact CB-CB 4.21Å; V333-L372 HydrophobicContact CB-CD2 4.46Å; V333-L372 PolarHBondContact N-O 2.91Å; V333-L372 PolarHBondContact O-N 2.95Å; L372-V374 PolarHBondContact O-N 3.25Å |
| 373 | T | 96.7 | Very high | 85.8 | Confident | 30 Ų | 30 | 68.5 Ų | 68.5 | 18% | 0.184 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 120.8 | -173.5 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | I273 L278 V330 H371 K376 | I273-T373 HydrophobicContact CD1-CG2 4.34Å; I273-T373 HydrophobicContact CG1-CG2 3.8Å; L278-T373 WeakPolarHBondContact CD2-O 3.21Å; V330-T373 HydrophobicContact CG1-CG2 3.66Å; H371-T373 PolarHBondContact CD2-OG1 3.15Å; H371-T373 VanDerWaalsContact CD2-OG1 3.28Å; T373-K376 HydrophobicContact CG2-CB 4.45Å |
| 374 | V | 95.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -41.4 | 176.8 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | V254 V257 Q258 I273 V331 V333 L372 | V254-V374 HydrophobicContact CG1-CG1 4.16Å; V254-V374 HydrophobicContact CG1-CG2 4.13Å; V257-V374 HydrophobicContact CG1-CG1 4.39Å; Q258-V374 HydrophobicContact CG-CG1 3.72Å; Q258-V374 PolarHBondContact NE2-O 3.37Å; Q258-V374 VanDerWaalsContact NE2-O 3.12Å; I273-V374 WeakPolarHBondContact CB-O 3.25Å; I273-V374 WeakPolarHBondContact CG1-O 3.44Å; I273-V374 PolarHBondContact N-O 3.26Å; V331-V374 PolarHBondContact O-N 3.28Å; V333-V374 HydrophobicContact CG2-CG2 3.7Å; L372-V374 PolarHBondContact O-N 3.25Å |
| 375 | M | 94.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 151.8 | 179.5 | 63.2 | 177.4 | 89.7 | 0 | 0 | 112.6 | V261 A271 M272 V330 V331 V391 | V261-M375 HydrophobicContact CB-CE 4.39Å; V261-M375 HydrophobicContact CG1-CE 4.04Å; V261-M375 HydrophobicContact CG2-CE 4.04Å; A271-M375 WeakPolarHBondContact O-CA 3.43Å; M272-M375 HydrophobicContact CE-CE 3.82Å; M272-M375 HydrophobicContact CE-SD 4.33Å; M272-M375 HydrophobicContact SD-CB 3.65Å; M272-M375 HydrophobicContact SD-CE 3.95Å; M272-M375 HydrophobicContact SD-CG 4.46Å; M272-M375 HydrophobicContact SD-SD 4.31Å; V330-M375 WeakPolarHBondContact CA-O 3.16Å; V331-M375 HydrophobicContact CB-CE 4.34Å; V331-M375 HydrophobicContact CB-CG 3.58Å; V331-M375 HydrophobicContact CB-SD 4.1Å; V331-M375 HydrophobicContact CG2-CG 3.9Å; V331-M375 HydrophobicContact CG2-SD 3.92Å; V331-M375 PolarHBondContact N-O 2.81Å; V331-M375 PolarHBondContact O-N 3.35Å; V331-M375 VanDerWaalsContact O-N 3.15Å; M375-V391 HydrophobicContact SD-CG1 3.97Å; M375-V391 HydrophobicContact SD-CG2 4.03Å |
| 376 | K | 95.4 | Very high | 89.7 | Confident | 89 Ų | 89 | 72.5 Ų | 72.5 | 39% | 0.387 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 112.3 | -177.8 | -167.5 | 176.4 | -171.1 | 167.3 | 0 | 111.6 | A271 I273 V330 T373 S378 R379 | A271-K376 PolarHBondContact O-N 3.33Å; I273-K376 HydrophobicContact CD1-CB 4.21Å; V330-K376 HydrophobicContact CG1-CG 4.39Å; V330-K376 HydrophobicContact CG2-CG 4.04Å; T373-K376 HydrophobicContact CG2-CB 4.45Å; K376-S378 WeakPolarHBondContact CD-OG 3.38Å; K376-S378 WeakPolarHBondContact CE-OG 3.28Å; K376-S378 WeakPolarHBondContact CG-OG 3.45Å; K376-S378 PolarHBondContact O-N 2.82Å; K376-S378 VanDerWaalsContact O-N 3.12Å; K376-R379 HydrophobicContact CB-CG 4.33Å; K376-R379 WeakPolarHBondContact O-CB 3.33Å; K376-R379 PolarHBondContact O-N 3.45Å; K376-R379 VanDerWaalsContact O-N 3.09Å |
| 377 | L | 92.8 | Very high | 90.3 | Very high | 3 Ų | 3 | 64.6 Ų | 64.6 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -62.2 | -22.7 | -179.3 | -67.9 | -174 | 0 | 0 | 0 | 113.6 | L268 A271 E329 R379 A380 L383 V391 | L268-L377 HydrophobicContact CD2-CD2 3.74Å; A271-L377 HydrophobicContact CB-CD2 4.16Å; E329-L377 WeakPolarHBondContact O-CB 3.27Å; E329-L377 WeakPolarHBondContact O-CG 3.43Å; E329-L377 PolarHBondContact O-N 2.91Å; L377-R379 PolarHBondContact O-N 3.28Å; L377-A380 CarbonylContact O-C 3.37Å; L377-A380 PolarHBondContact O-N 3.15Å; L377-A380 VanDerWaalsContact O-N 3.14Å; L377-L383 HydrophobicContact CD2-CD1 4.19Å; L377-V391 HydrophobicContact CD1-CG2 3.96Å; L377-V391 HydrophobicContact CD2-CG2 3.97Å; L377-V391 HydrophobicContact CG-CG2 3.9Å |
| 378 | S | 90.6 | Very high | 90.6 | Very high | 63 Ų | 63 | 58.1 Ų | 58.1 | 44% | 0.441 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -64.3 | -23.2 | 177.2 | 74.8 | 0 | 0 | 0 | 0 | 113.1 | K376 A380 | K376-S378 WeakPolarHBondContact CD-OG 3.38Å; K376-S378 WeakPolarHBondContact CE-OG 3.28Å; K376-S378 WeakPolarHBondContact CG-OG 3.45Å; K376-S378 PolarHBondContact O-N 2.82Å; K376-S378 VanDerWaalsContact O-N 3.12Å; S378-A380 VanDerWaalsContact C-N 3.3Å |
| 379 | R | 90.5 | Very high | 90.5 | Very high | 122 Ų | 122 | 62.9 Ų | 62.9 | 46% | 0.46 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -71.8 | -28.7 | 176.1 | -64.7 | -175.5 | 67.7 | -148.1 | -4.1 | 112 | M272 K376 L377 | M272-R379 PolarHBondContact O-NH1 3.36Å; K376-R379 HydrophobicContact CB-CG 4.33Å; K376-R379 WeakPolarHBondContact O-CB 3.33Å; K376-R379 PolarHBondContact O-N 3.45Å; K376-R379 VanDerWaalsContact O-N 3.09Å; L377-R379 PolarHBondContact O-N 3.28Å |
| 380 | A | 88.5 | Confident | 90.4 | Very high | 9 Ų | 9 | 66.4 Ų | 66.4 | 7% | 0.074 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -113.6 | 62 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | K270 A271 L377 S378 K382 L383 | K270-A380 HydrophobicContact CB-CB 3.75Å; A271-A380 HydrophobicContact CB-CB 4.23Å; L377-A380 CarbonylContact O-C 3.37Å; L377-A380 PolarHBondContact O-N 3.15Å; L377-A380 VanDerWaalsContact O-N 3.14Å; S378-A380 VanDerWaalsContact C-N 3.3Å; A380-K382 PolarHBondContact O-N 2.94Å; A380-L383 HydrophobicContact CB-CD1 3.47Å; A380-L383 VanDerWaalsContact CB-CD1 3.47Å; A380-L383 HydrophobicContact CB-CG 3.66Å; A380-L383 VanDerWaalsContact O-CB 3.26Å; A380-L383 WeakPolarHBondContact O-CB 3.27Å; A380-L383 WeakPolarHBondContact O-CG 3.49Å; A380-L383 PolarHBondContact O-N 3.01Å |
| 381 | S | 85.4 | Confident | 90.2 | Very high | 71 Ų | 71 | 66.2 Ų | 66.2 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -54.7 | -28.1 | -177.5 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | L383 R384 | S381-L383 VanDerWaalsContact C-N 3.26Å; S381-L383 PolarHBondContact O-N 2.83Å; S381-R384 PolarHBondContact O-N 2.92Å |
| 382 | K | 88 | Confident | 90 | Very high | 151 Ų | 151 | 69.3 Ų | 69.3 | 66% | 0.657 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -61.8 | -29.2 | 174.5 | -64.2 | -175.7 | -178.8 | -178.6 | 0 | 113 | A380 R384 F385 Q386 | A380-K382 PolarHBondContact O-N 2.94Å; K382-R384 VanDerWaalsContact C-N 3.26Å; K382-R384 PolarHBondContact O-N 2.89Å; K382-F385 WeakPolarHBondContact O-CB 3.34Å; K382-F385 PolarHBondContact O-N 2.78Å; K382-F385 VanDerWaalsContact O-N 3.08Å; K382-Q386 PolarHBondContact O-N 3.12Å |
| 383 | L | 88.3 | Confident | 89.6 | Confident | 9 Ų | 9 | 71.4 Ų | 71.4 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -62 | -33.2 | 178.6 | -65.4 | -177.6 | 0 | 0 | 0 | 112.6 | R267 L268 A271 L377 A380 S381 F385 Q386 G387 I388 | R267-L383 HydrophobicContact CB-CD2 4.12Å; R267-L383 WeakPolarHBondContact O-CD2 3.08Å; L268-L383 HydrophobicContact CD2-CD1 4.05Å; A271-L383 HydrophobicContact CB-CD1 4.38Å; L377-L383 HydrophobicContact CD2-CD1 4.19Å; A380-L383 HydrophobicContact CB-CD1 3.47Å; A380-L383 VanDerWaalsContact CB-CD1 3.47Å; A380-L383 HydrophobicContact CB-CG 3.66Å; A380-L383 VanDerWaalsContact O-CB 3.26Å; A380-L383 WeakPolarHBondContact O-CB 3.27Å; A380-L383 WeakPolarHBondContact O-CG 3.49Å; A380-L383 PolarHBondContact O-N 3.01Å; S381-L383 VanDerWaalsContact C-N 3.26Å; S381-L383 PolarHBondContact O-N 2.83Å; L383-F385 PolarHBondContact O-N 3.35Å; L383-Q386 CarbonylContact O-C 3.46Å; L383-Q386 WeakPolarHBondContact O-CA 3.18Å; L383-Q386 PolarHBondContact O-N 3.28Å; L383-G387 PolarHBondContact O-N 3.09Å; L383-I388 CarbonylContact C-O 3.59Å; L383-I388 HydrophobicContact CB-CB 4.26Å; L383-I388 HydrophobicContact CD2-CD1 4.47Å; L383-I388 PolarHBondContact O-N 3.23Å |
| 384 | R | 86.6 | Confident | 89.3 | Confident | 105 Ų | 105 | 71.4 Ų | 71.4 | 40% | 0.396 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -62.4 | -32.6 | 176.7 | -63.5 | -175.6 | -172.7 | -152.5 | -8.2 | 112.3 | E329 S381 K382 I388 | E329-R384 IonicContact OE2-CZ 3.61Å; E329-R384 IonicContact OE2-NH2 3.56Å; E329-R384 PolarHBondContact OE2-NH2 3.25Å; S381-R384 PolarHBondContact O-N 2.92Å; K382-R384 VanDerWaalsContact C-N 3.26Å; K382-R384 PolarHBondContact O-N 2.89Å; R384-I388 WeakPolarHBondContact CA-O 3.32Å; R384-I388 PolarHBondContact N-O 2.81Å |
| 385 | F | 85.4 | Confident | 89.1 | Confident | 190 Ų | 190 | 72.3 Ų | 72.3 | 83% | 0.833 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -25.3 | 175.8 | -64.8 | -78.3 | 0 | 0 | 0 | 112.3 | K382 L383 G387 | K382-F385 WeakPolarHBondContact O-CB 3.34Å; K382-F385 PolarHBondContact O-N 2.78Å; K382-F385 VanDerWaalsContact O-N 3.08Å; L383-F385 PolarHBondContact O-N 3.35Å; F385-G387 PolarHBondContact O-N 3.21Å |
| 386 | Q | 85.7 | Confident | 88.8 | Confident | 108 Ų | 108 | 72.7 Ų | 72.7 | 51% | 0.505 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 2.3 | 174.8 | -62.6 | 173 | 4.6 | 0 | 0 | 113.1 | K382 L383 | K382-Q386 PolarHBondContact O-N 3.12Å; L383-Q386 CarbonylContact O-C 3.46Å; L383-Q386 WeakPolarHBondContact O-CA 3.18Å; L383-Q386 PolarHBondContact O-N 3.28Å |
| 387 | G | 85.3 | Confident | 88.7 | Confident | 54 Ų | 54 | 71.3 Ų | 71.3 | 56% | 0.557 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.3 | -16.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L383 F385 K389 | L383-G387 PolarHBondContact O-N 3.09Å; F385-G387 PolarHBondContact O-N 3.21Å; G387-K389 PolarHBondContact O-N 3.24Å; G387-K389 VanDerWaalsContact O-N 3.14Å |
| 388 | I | 87.2 | Confident | 88.5 | Confident | 27 Ų | 27 | 77.2 Ų | 77.2 | 14% | 0.138 | 39% | 0.391 | C | S | . | . | trans | -83.2 | 96 | -178.9 | -55.6 | 172.5 | 0 | 0 | 0 | 109.4 | E265 R267 L268 L383 R384 | E265-I388 HydrophobicContact CG-CD1 4.44Å; R267-I388 HydrophobicContact CB-CD1 4.06Å; L268-I388 HydrophobicContact CD2-CG2 4.23Å; L383-I388 CarbonylContact C-O 3.59Å; L383-I388 HydrophobicContact CB-CB 4.26Å; L383-I388 HydrophobicContact CD2-CD1 4.47Å; L383-I388 PolarHBondContact O-N 3.23Å; R384-I388 WeakPolarHBondContact CA-O 3.32Å; R384-I388 PolarHBondContact N-O 2.81Å | ||
| 389 | K | 87.1 | Confident | 88.6 | Confident | 140 Ų | 140 | 75.4 Ų | 75.4 | 61% | 0.609 | 38% | 0.375 | S | S | * | . | trans | -101 | -20.5 | 177.7 | -67 | 178 | -175.5 | 166.8 | 0 | 113.6 | G387 | G387-K389 PolarHBondContact O-N 3.24Å; G387-K389 VanDerWaalsContact O-N 3.14Å | ||
| 390 | R | 90.5 | Very high | 88.6 | Confident | 174 Ų | 174 | 72.2 Ų | 72.2 | 66% | 0.657 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -142.2 | 145.4 | -177.4 | -68.8 | -180 | 177.7 | 175.4 | -2.1 | 108.1 | K328 | K328-R390 HydrophobicContact CB-CB 3.88Å; K328-R390 HydrophobicContact CB-CG 4.09Å; K328-R390 CarbonylContact O-C 3.51Å; K328-R390 VanDerWaalsContact O-CA 3.28Å; K328-R390 WeakPolarHBondContact O-CA 3.44Å |
| 391 | V | 89.6 | Confident | 88.8 | Confident | 2 Ų | 2 | 78.9 Ų | 78.9 | 1% | 0.012 | 40% | 0.403 | C | S | . | . | trans | -77 | 128.5 | 170.5 | -168.8 | 0 | 0 | 0 | 0 | 107.6 | L268 K328 V331 M375 L377 L395 Y396 | L268-V391 HydrophobicContact CD1-CG1 4.46Å; K328-V391 PolarHBondContact O-N 2.82Å; V331-V391 HydrophobicContact CG2-CB 3.99Å; V331-V391 HydrophobicContact CG2-CG1 4.12Å; V331-V391 HydrophobicContact CG2-CG2 3.98Å; M375-V391 HydrophobicContact SD-CG1 3.97Å; M375-V391 HydrophobicContact SD-CG2 4.03Å; L377-V391 HydrophobicContact CD1-CG2 3.96Å; L377-V391 HydrophobicContact CD2-CG2 3.97Å; L377-V391 HydrophobicContact CG-CG2 3.9Å; V391-L395 HydrophobicContact CG1-CD1 4.02Å; V391-Y396 HydrophobicContact CB-CE1 4.48Å; V391-Y396 HydrophobicContact CG1-CD1 4.31Å; V391-Y396 HydrophobicContact CG1-CE1 3.82Å | ||
| 392 | E | 89.2 | Confident | 89.1 | Confident | 109 Ų | 109 | 78.4 Ų | 78.4 | 51% | 0.509 | 39% | 0.392 | S | S | . | . | trans | -71.6 | 127.2 | 177.1 | -165.3 | -70.7 | 126.7 | 0 | 0 | 108.3 | G394 L395 Y396 | E392-G394 PolarHBondContact O-N 3.19Å; E392-G394 PolarHBondContact OE1-N 3.04Å; E392-G394 WeakPolarHBondContact OE2-CA 3.27Å; E392-G394 PolarHBondContact OE2-N 3.39Å; E392-L395 HydrophobicContact CB-CD1 4.19Å; E392-L395 HydrophobicContact CB-CG 4.23Å; E392-L395 WeakPolarHBondContact O-CB 3.09Å; E392-L395 PolarHBondContact O-N 3.46Å; E392-L395 PolarHBondContact OE2-N 2.67Å; E392-Y396 WeakPolarHBondContact O-CE1 3.43Å | ||
| 393 | P | 88.8 | Confident | 89.5 | Confident | 44 Ų | 44 | 76 Ų | 76 | 29% | 0.286 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -66 | -28.5 | -176.3 | -24.3 | 35.3 | 0 | 0 | 0 | 116 | K328 L395 Y396 S397 | K328-P393 HydrophobicContact CD-CG 4.31Å; P393-L395 PolarHBondContact O-N 3.34Å; P393-Y396 HydrophobicContact CB-CE2 4.3Å; P393-Y396 PolarHBondContact O-N 3.06Å; P393-Y396 VanDerWaalsContact O-N 3.15Å; P393-S397 PolarHBondContact O-N 3.44Å |
| 394 | G | 90.4 | Very high | 89.8 | Confident | 29 Ų | 29 | 75.5 Ų | 75.5 | 30% | 0.299 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -58.6 | -26.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | E392 Y396 S397 | E392-G394 PolarHBondContact O-N 3.19Å; E392-G394 PolarHBondContact OE1-N 3.04Å; E392-G394 WeakPolarHBondContact OE2-CA 3.27Å; E392-G394 PolarHBondContact OE2-N 3.39Å; G394-Y396 PolarHBondContact O-N 3.07Å; G394-Y396 VanDerWaalsContact O-N 3.11Å; G394-S397 PolarHBondContact O-N 3.38Å; G394-S397 PolarHBondContact O-OG 3.24Å; G394-S397 VanDerWaalsContact O-OG 3.14Å |
| 395 | L | 90.1 | Very high | 90.2 | Very high | 20 Ų | 20 | 70.6 Ų | 70.6 | 11% | 0.105 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -59.4 | -23.5 | 174.9 | -64.5 | 174.5 | 0 | 0 | 0 | 114.1 | V261 Q264 E265 L268 V391 E392 P393 | V261-L395 HydrophobicContact CG1-CB 4.29Å; V261-L395 HydrophobicContact CG1-CD1 4.29Å; V261-L395 HydrophobicContact CG2-CB 4.35Å; V261-L395 WeakPolarHBondContact CG2-O 3.27Å; Q264-L395 HydrophobicContact CB-CD2 3.6Å; Q264-L395 HydrophobicContact CG-CD2 4.47Å; E265-L395 HydrophobicContact CB-CD1 4.38Å; E265-L395 HydrophobicContact CB-CD2 4.29Å; L268-L395 HydrophobicContact CD1-CD1 3.8Å; V391-L395 HydrophobicContact CG1-CD1 4.02Å; E392-L395 HydrophobicContact CB-CD1 4.19Å; E392-L395 HydrophobicContact CB-CG 4.23Å; E392-L395 WeakPolarHBondContact O-CB 3.09Å; E392-L395 PolarHBondContact O-N 3.46Å; E392-L395 PolarHBondContact OE2-N 2.67Å; P393-L395 PolarHBondContact O-N 3.34Å |
| 396 | Y | 90.1 | Very high | 90.6 | Very high | 8 Ų | 8 | 65.2 Ų | 65.2 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -132.5 | 19.9 | -178.3 | 54.4 | -97.3 | 0 | 0 | 0 | 112.8 | I323 H325 V331 V391 E392 P393 G394 D398 Y399 T400 | I323-Y396 HydrophobicContact CB-CD2 4.19Å; I323-Y396 HydrophobicContact CG2-CD2 3.57Å; I323-Y396 HydrophobicContact CG2-CE2 3.89Å; I323-Y396 HydrophobicContact CG2-CG 4.1Å; H325-Y396 PolarHBondContact CD2-OH 3.18Å; H325-Y396 VanDerWaalsContact CD2-OH 3.26Å; V331-Y396 HydrophobicContact CG1-CD1 4.31Å; V331-Y396 HydrophobicContact CG1-CE1 4.21Å; V331-Y396 HydrophobicContact CG2-CE1 4.01Å; V391-Y396 HydrophobicContact CB-CE1 4.48Å; V391-Y396 HydrophobicContact CG1-CD1 4.31Å; V391-Y396 HydrophobicContact CG1-CE1 3.82Å; E392-Y396 WeakPolarHBondContact O-CE1 3.43Å; P393-Y396 HydrophobicContact CB-CE2 4.3Å; P393-Y396 PolarHBondContact O-N 3.06Å; P393-Y396 VanDerWaalsContact O-N 3.15Å; G394-Y396 PolarHBondContact O-N 3.07Å; G394-Y396 VanDerWaalsContact O-N 3.11Å; Y396-D398 PolarHBondContact O-N 3.11Å; Y396-Y399 PolarHBondContact O-N 3.03Å; Y396-Y399 VanDerWaalsContact O-N 3.07Å; Y396-T400 PolarHBondContact O-N 3.44Å |
| 397 | S | 91.7 | Very high | 91.1 | Very high | 59 Ų | 59 | 60.1 Ų | 60.1 | 41% | 0.413 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -54.4 | -42.1 | -178.2 | 49.2 | 0 | 0 | 0 | 0 | 112.2 | P393 G394 Y399 T400 | P393-S397 PolarHBondContact O-N 3.44Å; G394-S397 PolarHBondContact O-N 3.38Å; G394-S397 PolarHBondContact O-OG 3.24Å; G394-S397 VanDerWaalsContact O-OG 3.14Å; S397-Y399 PolarHBondContact O-N 3Å; S397-T400 WeakPolarHBondContact O-CB 3.47Å; S397-T400 PolarHBondContact O-N 2.91Å; S397-T400 VanDerWaalsContact O-N 3.12Å; S397-T400 PolarHBondContact O-OG1 3.44Å |
| 398 | D | 90.1 | Very high | 91.5 | Very high | 128 Ų | 128 | 60 Ų | 60 | 68% | 0.684 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -65.7 | -15.2 | -175.5 | -52.5 | -14.4 | 0 | 0 | 0 | 112.8 | Y396 | Y396-D398 PolarHBondContact O-N 3.11Š|
| 399 | Y | 90.9 | Very high | 91.9 | Very high | 25 Ų | 25 | 59 Ų | 59 | 10% | 0.098 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -112.6 | 3.5 | -175.6 | -58.3 | -83.5 | 0 | 0 | 0 | 112.5 | E256 V257 A260 I323 Y396 S397 D401 K402 | E256-Y399 WeakPolarHBondContact OE1-CE1 3.43Å; E256-Y399 PolarHBondContact OE1-OH 2.87Å; V257-Y399 HydrophobicContact CG2-CD1 3.42Å; V257-Y399 VanDerWaalsContact CG2-CD1 3.42Å; V257-Y399 HydrophobicContact CG2-CD2 4.17Å; V257-Y399 HydrophobicContact CG2-CE1 3.75Å; V257-Y399 HydrophobicContact CG2-CE2 4.45Å; V257-Y399 HydrophobicContact CG2-CG 3.66Å; A260-Y399 HydrophobicContact CB-CE2 3.87Å; I323-Y399 VanDerWaalsContact CD1-CB 3.48Å; I323-Y399 HydrophobicContact CD1-CG 4.46Å; Y396-Y399 PolarHBondContact O-N 3.03Å; Y396-Y399 VanDerWaalsContact O-N 3.07Å; S397-Y399 PolarHBondContact O-N 3Å; Y399-D401 VanDerWaalsContact C-N 3.27Å; Y399-D401 PolarHBondContact O-N 3.14Å; Y399-K402 HydrophobicContact CD1-CD 3.52Å; Y399-K402 HydrophobicContact CE1-CD 3.97Å; Y399-K402 PolarHBondContact O-N 3.36Å |
| 400 | T | 91.3 | Very high | 92.2 | Very high | 55 Ų | 55 | 56.7 Ų | 56.7 | 34% | 0.337 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -37 | -174.5 | -54.4 | 0 | 0 | 0 | 0 | 112.5 | G322 I323 Y396 S397 | G322-T400 CarbonylContact C-O 3.57Å; G322-T400 WeakPolarHBondContact CA-O 3.25Å; I323-T400 PolarHBondContact N-O 2.89Å; Y396-T400 PolarHBondContact O-N 3.44Å; S397-T400 WeakPolarHBondContact O-CB 3.47Å; S397-T400 PolarHBondContact O-N 2.91Å; S397-T400 VanDerWaalsContact O-N 3.12Å; S397-T400 PolarHBondContact O-OG1 3.44Å |
| 401 | D | 91.9 | Very high | 92.4 | Very high | 149 Ų | 149 | 52.1 Ų | 52.1 | 80% | 0.797 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | 14.2 | -179.1 | -57.3 | -50.5 | 0 | 0 | 0 | 112.5 | Y399 | Y399-D401 VanDerWaalsContact C-N 3.27Å; Y399-D401 PolarHBondContact O-N 3.14Å |
| 402 | K | 93.6 | Very high | 92.8 | Very high | 61 Ų | 61 | 52 Ų | 52 | 27% | 0.265 | 27% | 0.274 | S | S | . | . | trans | -72.2 | 134.8 | -179.9 | -168.7 | 177.5 | -172.5 | 175.8 | 0 | 110.1 | E256 G322 Y399 F404 | E256-K402 IonicContact OE1-NZ 2.82Å; E256-K402 PolarHBondContact OE1-NZ 3.42Å; E256-K402 IonicContact OE2-NZ 3.94Å; E256-K402 PolarHBondContact OE2-NZ 3.13Å; G322-K402 PolarHBondContact N-O 3.01Å; Y399-K402 HydrophobicContact CD1-CD 3.52Å; Y399-K402 HydrophobicContact CE1-CD 3.97Å; Y399-K402 PolarHBondContact O-N 3.36Å; K402-F404 HydrophobicContact CB-CE2 4.34Å; K402-F404 VanDerWaalsContact O-CD2 3.24Å; K402-F404 WeakPolarHBondContact O-CD2 3.41Å; K402-F404 WeakPolarHBondContact O-CE2 3.47Å | ||
| 403 | F | 95.3 | Very high | 93.1 | Very high | 99 Ų | 99 | 46.8 Ų | 46.8 | 43% | 0.434 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 128.7 | 168.7 | -176 | -111.7 | 0 | 0 | 0 | 110 | P319 F320 G405 | P319-F403 HydrophobicContact CB-CE2 4.06Å; F320-F403 WeakPolarHBondContact O-CD2 3.5Å; F403-G405 VanDerWaalsContact CE1-CA 3.44Å |
| 404 | F | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -16.6 | -176.8 | -75.5 | -99.2 | 0 | 0 | 0 | 113.4 | I250 L253 V254 V257 F320 I323 V333 K402 | I250-F404 VanDerWaalsContact CG1-O 3.27Å; I250-F404 WeakPolarHBondContact CG1-O 3.24Å; L253-F404 HydrophobicContact CB-CD1 3.73Å; L253-F404 HydrophobicContact CB-CE1 4.19Å; L253-F404 WeakPolarHBondContact CD1-O 3.43Å; V254-F404 HydrophobicContact CG2-CD1 4.09Å; V254-F404 HydrophobicContact CG2-CE1 4.25Å; V257-F404 HydrophobicContact CG2-CE1 3.75Å; V257-F404 HydrophobicContact CG2-CZ 3.84Å; F320-F404 HydrophobicContact CB-CB 3.91Å; F320-F404 PolarHBondContact O-N 3Å; I323-F404 HydrophobicContact CD1-CZ 4.05Å; I323-F404 HydrophobicContact CG1-CE2 4.08Å; I323-F404 HydrophobicContact CG1-CZ 3.94Å; V333-F404 HydrophobicContact CB-CD2 4.45Å; V333-F404 HydrophobicContact CG1-CB 4.32Å; V333-F404 HydrophobicContact CG1-CD2 3.37Å; V333-F404 HydrophobicContact CG1-CE2 3.74Å; V333-F404 HydrophobicContact CG1-CG 3.83Å; V333-F404 HydrophobicContact CG1-CZ 4.45Å; V333-F404 HydrophobicContact CG2-CD1 4.18Å; V333-F404 HydrophobicContact CG2-CD2 4.18Å; V333-F404 HydrophobicContact CG2-CE1 3.96Å; V333-F404 HydrophobicContact CG2-CE2 3.96Å; V333-F404 HydrophobicContact CG2-CG 4.29Å; V333-F404 HydrophobicContact CG2-CZ 3.85Å; K402-F404 HydrophobicContact CB-CE2 4.34Å; K402-F404 VanDerWaalsContact O-CD2 3.24Å; K402-F404 WeakPolarHBondContact O-CD2 3.41Å; K402-F404 WeakPolarHBondContact O-CE2 3.47Å |
| 405 | G | 94.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 119.2 | -179.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F320 F403 | F320-G405 PolarHBondContact N-O 3.04Å; F403-G405 VanDerWaalsContact CE1-CA 3.44Å |
| 406 | N | 94.8 | Very high | 94.2 | Very high | 77 Ų | 77 | 42.5 Ų | 42.5 | 41% | 0.412 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.4 | -177.4 | -69.8 | -42.4 | 0 | 0 | 0 | 110.8 | N247 V317 P319 | N247-N406 PolarHBondContact ND2-O 3.44Å; V317-N406 HydrophobicContact CG1-CB 3.71Å; P319-N406 WeakPolarHBondContact CA-OD1 3.42Å; P319-N406 WeakPolarHBondContact CB-OD1 3.43Å |
| 407 | Q | 95.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 114.1 | 174.3 | 177.8 | 60 | 57.7 | 0 | 0 | 110.4 | I245 T246 I250 L318 F320 | I245-Q407 HydrophobicContact CD1-CG 3.99Å; T246-Q407 PolarHBondContact OG1-NE2 3.44Å; I250-Q407 HydrophobicContact CD1-CB 3.72Å; L318-Q407 HydrophobicContact CB-CB 4.4Å; L318-Q407 PolarHBondContact N-O 3.48Å; L318-Q407 PolarHBondContact O-N 3.19Å; F320-Q407 HydrophobicContact CD2-CB 4.07Å; F320-Q407 HydrophobicContact CE2-CB 3.6Å; F320-Q407 HydrophobicContact CE2-CG 4.29Å |
| 408 | T | 94.6 | Very high | 94.6 | Very high | 51 Ų | 51 | 49.3 Ų | 49.3 | 31% | 0.313 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 129.6 | 169.7 | -54.2 | 0 | 0 | 0 | 0 | 109.9 | D315 E410 | D315-T408 HydrophobicContact CB-CG2 4.15Å; T408-E410 PolarHBondContact O-N 3Å; T408-E410 VanDerWaalsContact O-N 3.17Å |
| 409 | V | 94.3 | Very high | 94.8 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | trans | -80.8 | 98.3 | 179.1 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | I243 L316 L318 L412 L435 | I243-V409 HydrophobicContact CD1-CG1 4.03Å; I243-V409 HydrophobicContact CD1-CG2 4.25Å; I243-V409 HydrophobicContact CG1-CG1 4.02Å; I243-V409 HydrophobicContact CG2-CB 4.44Å; I243-V409 HydrophobicContact CG2-CG1 3.83Å; I243-V409 HydrophobicContact CG2-CG2 4.14Å; L316-V409 HydrophobicContact CB-CB 4.22Å; L316-V409 HydrophobicContact CB-CG2 4.16Å; L316-V409 HydrophobicContact CD2-CB 4.36Å; L316-V409 HydrophobicContact CD2-CG2 3.88Å; L316-V409 HydrophobicContact CG-CB 4.38Å; L316-V409 HydrophobicContact CG-CG2 3.82Å; L316-V409 WeakPolarHBondContact O-CG2 3.44Å; L316-V409 PolarHBondContact O-N 3.44Å; L318-V409 HydrophobicContact CD1-CG2 3.56Å; L318-V409 HydrophobicContact CD2-CG2 4.41Å; L318-V409 HydrophobicContact CG-CG2 3.73Å; V409-L412 HydrophobicContact CG1-CD2 4.17Å; V409-L435 HydrophobicContact CB-CD1 4.42Å; V409-L435 HydrophobicContact CG1-CD1 3.56Å | ||
| 410 | E | 93.4 | Very high | 95.1 | Very high | 91 Ų | 91 | 54.9 Ų | 54.9 | 43% | 0.425 | 27% | 0.267 | S | S | . | . | trans | -86.2 | -33.7 | -179 | -67.4 | 165.5 | -142.1 | 0 | 0 | 112.8 | T246 T408 L435 G436 | T246-E410 PolarHBondContact OG1-OE1 2.87Å; T408-E410 PolarHBondContact O-N 3Å; T408-E410 VanDerWaalsContact O-N 3.17Å; E410-L435 PolarHBondContact O-N 3.3Å; E410-G436 PolarHBondContact O-N 2.88Å | ||
| 411 | R | 95.1 | Very high | 95.3 | Very high | 78 Ų | 78 | 56.7 Ų | 56.7 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 159.1 | -174 | 77.6 | -175.3 | -169.6 | -149.9 | -3.1 | 113.8 | P244 D413 L433 | P244-R411 WeakPolarHBondContact CD-O 3.28Å; P244-R411 HydrophobicContact CG-CG 3.69Å; R411-D413 WeakPolarHBondContact CD-OD1 3.48Å; R411-D413 IonicContact CZ-OD2 3.92Å; R411-D413 IonicContact NE-OD1 3.22Å; R411-D413 PolarHBondContact NE-OD1 3.46Å; R411-D413 VanDerWaalsContact NE-OD1 3.15Å; R411-D413 IonicContact NE-OD2 2.81Å; R411-D413 PolarHBondContact NE-OD2 2.95Å; R411-D413 IonicContact NH2-OD2 3.46Å; R411-D413 PolarHBondContact NH2-OD2 3.12Å; R411-L433 CarbonylContact C-O 3.46Å; R411-L433 WeakPolarHBondContact CA-O 2.84Å; R411-L433 WeakPolarHBondContact CB-O 3.35Å |
| 412 | L | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 127.5 | 168.9 | -51.7 | -174.2 | 0 | 0 | 0 | 110.1 | V241 S242 I243 L282 L347 V351 V409 S432 L433 L435 | V241-L412 HydrophobicContact CG1-CB 4.19Å; S242-L412 CarbonylContact O-C 3.45Å; S242-L412 WeakPolarHBondContact O-CA 3.47Å; I243-L412 HydrophobicContact CD1-CD2 4.26Å; I243-L412 HydrophobicContact CG1-CD2 3.51Å; L282-L412 HydrophobicContact CD1-CD1 4.03Å; L282-L412 HydrophobicContact CD1-CD2 3.65Å; L282-L412 HydrophobicContact CD1-CG 4.44Å; L347-L412 HydrophobicContact CD1-CD1 4.22Å; L347-L412 HydrophobicContact CD2-CD1 4.48Å; L347-L412 HydrophobicContact CD2-CD2 4.38Å; V351-L412 HydrophobicContact CG2-CD1 4.12Å; V409-L412 HydrophobicContact CG1-CD2 4.17Å; L412-S432 CarbonylContact O-C 3.47Å; L412-S432 WeakPolarHBondContact O-CA 3.41Å; L412-L433 HydrophobicContact CB-CB 4.32Å; L412-L433 HydrophobicContact CD1-CD2 4.21Å; L412-L433 PolarHBondContact N-O 3.14Å; L412-L433 PolarHBondContact O-N 3Å; L412-L435 HydrophobicContact CD2-CD1 4.06Å; L412-L435 HydrophobicContact CG-CD1 4.04Å; L412-L435 HydrophobicContact CG-CD2 4.47Å; L412-L435 HydrophobicContact CG-CG 4.44Å |
| 413 | D | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.7 | -176.6 | -64 | -27.5 | 0 | 0 | 0 | 110.7 | V241 S242 P244 R411 C415 Y426 T429 S432 | V241-D413 CarbonylContact C-O 3.55Å; V241-D413 WeakPolarHBondContact CA-O 3.48Å; S242-D413 PolarHBondContact N-O 3.22Å; S242-D413 PolarHBondContact O-N 3.05Å; S242-D413 PolarHBondContact OG-O 3.48Å; P244-D413 WeakPolarHBondContact CG-OD2 3.47Å; R411-D413 WeakPolarHBondContact CD-OD1 3.48Å; R411-D413 IonicContact CZ-OD2 3.92Å; R411-D413 IonicContact NE-OD1 3.22Å; R411-D413 PolarHBondContact NE-OD1 3.46Å; R411-D413 VanDerWaalsContact NE-OD1 3.15Å; R411-D413 IonicContact NE-OD2 2.81Å; R411-D413 PolarHBondContact NE-OD2 2.95Å; R411-D413 IonicContact NH2-OD2 3.46Å; R411-D413 PolarHBondContact NH2-OD2 3.12Å; D413-C415 PolarHBondContact O-N 2.87Å; D413-Y426 HydrophobicContact CB-CE1 4.36Å; D413-Y426 WeakPolarHBondContact OD2-CE1 3.27Å; D413-T429 HydrophobicContact CB-CG2 3.81Å; D413-S432 VanDerWaalsContact OD1-CB 3.25Å; D413-S432 WeakPolarHBondContact OD1-CB 3.43Å; D413-S432 PolarHBondContact OD1-OG 3.02Å |
| 414 | L | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 106.4 | 167.3 | 178.5 | 61.9 | 0 | 0 | 0 | 109 | Y239 V241 A296 A297 L300 T429 E430 T431 | Y239-L414 HydrophobicContact CD1-CD1 4.45Å; V241-L414 HydrophobicContact CG2-CD1 4.2Å; A296-L414 HydrophobicContact CB-CD2 3.78Å; A297-L414 HydrophobicContact CB-CD2 4.36Å; L300-L414 HydrophobicContact CD2-CB 3.99Å; L414-T429 WeakPolarHBondContact O-CA 3.36Å; L414-E430 HydrophobicContact CD2-CB 4.26Å; L414-E430 HydrophobicContact CG-CB 4.39Å; L414-E430 PolarHBondContact O-N 3.08Å; L414-T431 HydrophobicContact CB-CG2 3.79Å; L414-T431 HydrophobicContact CD2-CG2 4.15Å; L414-T431 PolarHBondContact N-O 3.33Å |
| 415 | C | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 143.6 | -170.8 | -64.6 | 0 | 0 | 0 | 0 | 113.3 | Y239 F240 S242 D413 Y427 H428 | Y239-C415 WeakPolarHBondContact CA-O 3.33Å; Y239-C415 VanDerWaalsContact CD1-O 3.28Å; Y239-C415 WeakPolarHBondContact CD1-O 3.47Å; F240-C415 HydrophobicContact CD1-CB 4.16Å; F240-C415 WeakPolarHBondContact CD1-O 3.25Å; F240-C415 HydrophobicContact CD2-CB 4.36Å; F240-C415 HydrophobicContact CE1-CB 3.66Å; F240-C415 HydrophobicContact CE2-CB 3.88Å; F240-C415 HydrophobicContact CG-CB 4.49Å; F240-C415 HydrophobicContact CZ-CB 3.51Å; F240-C415 PolarHBondContact N-O 2.98Å; F240-C415 PolarHBondContact O-N 3.01Å; S242-C415 PolarHBondContact OG-SG 2.78Å; D413-C415 PolarHBondContact O-N 2.87Å; C415-Y427 HydrophobicContact CB-CG 4.48Å; C415-H428 CarbonylContact C-O 3.41Å; C415-H428 VanDerWaalsContact CA-O 3.27Å; C415-H428 WeakPolarHBondContact CA-O 3.34Å |
| 416 | S | 96.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 134.4 | 170.1 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | L418 K419 H428 | S416-L418 PolarHBondContact OG-N 3.32Å; S416-K419 WeakPolarHBondContact OG-CG 3.24Å; S416-K419 PolarHBondContact OG-N 3.14Å; S416-H428 PolarHBondContact N-O 3.13Å |
| 417 | M | 95.3 | Very high | 95.3 | Very high | 75 Ų | 75 | 60 Ų | 60 | 37% | 0.369 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -79.8 | -20.6 | 173.7 | -60.5 | -172.3 | -173.9 | 0 | 0 | 113.3 | P237 N238 F240 V284 | P237-M417 HydrophobicContact CB-CE 4.17Å; N238-M417 WeakPolarHBondContact O-CB 3.36Å; N238-M417 WeakPolarHBondContact O-CG 3.45Å; N238-M417 PolarHBondContact O-N 3.25Å; F240-M417 HydrophobicContact CB-CE 3.78Å; F240-M417 HydrophobicContact CD1-CE 3.57Å; F240-M417 HydrophobicContact CD1-CG 3.45Å; F240-M417 VanDerWaalsContact CD1-CG 3.45Å; F240-M417 HydrophobicContact CD1-SD 4.39Å; F240-M417 HydrophobicContact CE1-CE 4.49Å; F240-M417 HydrophobicContact CE1-CG 3.65Å; F240-M417 HydrophobicContact CG-CE 3.97Å; V284-M417 HydrophobicContact CG1-CE 4.11Å |
| 418 | L | 93.6 | Very high | 95.4 | Very high | 135 Ų | 135 | 62.8 Ų | 62.8 | 71% | 0.707 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -113.5 | -28.9 | -167.3 | -59.4 | 179.6 | 0 | 0 | 0 | 113.4 | N238 S416 | N238-L418 HydrophobicContact CB-CD1 3.91Å; N238-L418 HydrophobicContact CB-CG 4.37Å; S416-L418 PolarHBondContact OG-N 3.32Å |
| 419 | K | 95.5 | Very high | 95.5 | Very high | 77 Ų | 77 | 61.7 Ų | 61.7 | 34% | 0.335 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -65.6 | 159 | 176.3 | -70.6 | 179.5 | 175.3 | -177.2 | 0 | 110.9 | Y239 S416 H428 E430 | Y239-K419 WeakPolarHBondContact OH-CE 3.47Å; S416-K419 WeakPolarHBondContact OG-CG 3.24Å; S416-K419 PolarHBondContact OG-N 3.14Å; K419-H428 HydrophobicContact CB-CB 3.78Å; K419-H428 WeakPolarHBondContact CD-CD2 3.36Å; K419-E430 WeakPolarHBondContact CD-OE1 3.47Å; K419-E430 VanDerWaalsContact CE-OE1 3.26Å; K419-E430 WeakPolarHBondContact CE-OE1 3.26Å; K419-E430 VanDerWaalsContact NZ-CD 3.27Å; K419-E430 IonicContact NZ-OE1 3.24Å; K419-E430 PolarHBondContact NZ-OE1 3.28Å; K419-E430 IonicContact NZ-OE2 2.67Å; K419-E430 PolarHBondContact NZ-OE2 3.3Å; K419-E430 VanDerWaalsContact NZ-OE2 3.07Å |
| 420 | K | 95.8 | Very high | 95.5 | Very high | 192 Ų | 192 | 63.7 Ų | 63.7 | 84% | 0.835 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 138.7 | 177.3 | -72.2 | -175.5 | 179.4 | 178.6 | 0 | 110 | H428 | K420-H428 WeakPolarHBondContact O-CB 3.47Š|
| 421 | K | 95.5 | Very high | 95.6 | Very high | 94 Ų | 94 | 61.1 Ų | 61.1 | 41% | 0.409 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 156.2 | 174.7 | -70.5 | 177.4 | 168.9 | -162.1 | 0 | 111.5 | T277 G425 Y426 | T277-K421 HydrophobicContact CG2-CD 4.23Å; K421-G425 WeakPolarHBondContact CD-O 3.41Å; K421-Y426 VanDerWaalsContact CA-O 3.3Å; K421-Y426 WeakPolarHBondContact CA-O 3.31Å; K421-Y426 WeakPolarHBondContact CB-O 3.42Å |
| 422 | Q | 94.6 | Very high | 95.7 | Very high | 79 Ų | 79 | 59.9 Ų | 59.9 | 37% | 0.369 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 171.8 | 175.8 | -67.3 | -173.8 | 50 | 0 | 0 | 111.5 | D424 G425 Y426 Y427 T429 | Q422-D424 VanDerWaalsContact C-N 3.26Å; Q422-D424 WeakPolarHBondContact CB-OD1 3.42Å; Q422-D424 PolarHBondContact O-N 3.04Å; Q422-G425 WeakPolarHBondContact O-CA 3.3Å; Q422-G425 PolarHBondContact O-N 3.5Å; Q422-Y426 PolarHBondContact N-O 3.29Å; Q422-Y427 PolarHBondContact NE2-O 2.65Å; Q422-T429 PolarHBondContact NE2-OG1 3.2Å |
| 423 | Q | 93.3 | Very high | 95.6 | Very high | 208 Ų | 208 | 60.1 Ų | 60.1 | 97% | 0.972 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -32.3 | -179 | -64.8 | -178.4 | 14 | 0 | 0 | 112.4 | G425 | Q423-G425 PolarHBondContact O-N 3.35Š|
| 424 | D | 91.3 | Very high | 95.4 | Very high | 93 Ų | 93 | 65.5 Ų | 65.5 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -7.5 | 173.4 | 67 | -5.5 | 0 | 0 | 0 | 113.3 | P276 Q422 Y426 | P276-D424 VanDerWaalsContact CB-O 3.26Å; P276-D424 WeakPolarHBondContact CB-O 3.31Å; Q422-D424 VanDerWaalsContact C-N 3.26Å; Q422-D424 WeakPolarHBondContact CB-OD1 3.42Å; Q422-D424 PolarHBondContact O-N 3.04Å; D424-Y426 WeakPolarHBondContact OD1-CB 3.37Å; D424-Y426 PolarHBondContact OD1-N 3.4Å |
| 425 | G | 93.1 | Very high | 94.8 | Very high | 21 Ų | 21 | 67 Ų | 67 | 22% | 0.216 | 33% | 0.33 | C | S | . | . | S | Bend | trans | 85 | 0.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T277 K421 Q422 Q423 | T277-G425 WeakPolarHBondContact CG2-O 3.43Å; K421-G425 WeakPolarHBondContact CD-O 3.41Å; Q422-G425 WeakPolarHBondContact O-CA 3.3Å; Q422-G425 PolarHBondContact O-N 3.5Å; Q423-G425 PolarHBondContact O-N 3.35Å |
| 426 | Y | 96.5 | Very high | 93.2 | Very high | 8 Ų | 8 | 69.4 Ų | 69.4 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 169.5 | 174 | -164 | -120.6 | 0 | 0 | 0 | 111.7 | S242 P244 P276 H279 D413 K421 Q422 D424 | S242-Y426 PolarHBondContact OG-OH 2.81Å; P244-Y426 HydrophobicContact CB-CE1 4.46Å; P244-Y426 HydrophobicContact CB-CE2 4.26Å; P276-Y426 VanDerWaalsContact O-CD2 3.27Å; P276-Y426 WeakPolarHBondContact O-CD2 3.44Å; H279-Y426 HydrophobicContact CB-CE2 4.38Å; D413-Y426 HydrophobicContact CB-CE1 4.36Å; D413-Y426 WeakPolarHBondContact OD2-CE1 3.27Å; K421-Y426 VanDerWaalsContact CA-O 3.3Å; K421-Y426 WeakPolarHBondContact CA-O 3.31Å; K421-Y426 WeakPolarHBondContact CB-O 3.42Å; Q422-Y426 PolarHBondContact N-O 3.29Å; D424-Y426 WeakPolarHBondContact OD1-CB 3.37Å; D424-Y426 PolarHBondContact OD1-N 3.4Å |
| 427 | Y | 97.1 | Very high | 91.1 | Very high | 46 Ų | 46 | 72.7 Ų | 72.7 | 18% | 0.18 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 151 | 177.1 | -68.9 | -89.3 | 0 | 0 | 0 | 111.4 | F240 T277 H279 C415 Q422 T429 | F240-Y427 HydrophobicContact CE1-CD1 4.02Å; F240-Y427 HydrophobicContact CE1-CE1 4.21Å; F240-Y427 HydrophobicContact CE1-CG 4.31Å; F240-Y427 AromaticContact CZ-CD1 3.8Å; F240-Y427 HydrophobicContact CZ-CD1 3.8Å; F240-Y427 AromaticContact CZ-CD2 3.8Å; F240-Y427 HydrophobicContact CZ-CD2 3.8Å; F240-Y427 AromaticContact CZ-CE1 3.97Å; F240-Y427 HydrophobicContact CZ-CE1 3.97Å; F240-Y427 AromaticContact CZ-CE2 3.99Å; F240-Y427 HydrophobicContact CZ-CE2 3.99Å; F240-Y427 AromaticContact CZ-CG 3.7Å; F240-Y427 HydrophobicContact CZ-CG 3.7Å; T277-Y427 HydrophobicContact CG2-CD2 4.13Å; T277-Y427 HydrophobicContact CG2-CE2 3.85Å; H279-Y427 AromaticContact CE1-CE2 3.47Å; H279-Y427 VanDerWaalsContact CE1-CE2 3.47Å; H279-Y427 WeakPolarHBondContact CE1-CE2 3.36Å; H279-Y427 AromaticContact CE1-CZ 3.88Å; H279-Y427 AromaticContact ND1-CE2 3.53Å; C415-Y427 HydrophobicContact CB-CG 4.48Å; Q422-Y427 PolarHBondContact NE2-O 2.65Å; Y427-T429 PolarHBondContact O-N 2.7Å; Y427-T429 PolarHBondContact O-OG1 2.87Å |
| 428 | H | 97 | Very high | 88.8 | Confident | 60 Ų | 60 | 79.2 Ų | 79.2 | 28% | 0.278 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 123.4 | 169.3 | -174.8 | 79.2 | 0 | 0 | 0 | 109.2 | C415 S416 K419 K420 E430 | C415-H428 CarbonylContact C-O 3.41Å; C415-H428 VanDerWaalsContact CA-O 3.27Å; C415-H428 WeakPolarHBondContact CA-O 3.34Å; S416-H428 PolarHBondContact N-O 3.13Å; K419-H428 HydrophobicContact CB-CB 3.78Å; K419-H428 WeakPolarHBondContact CD-CD2 3.36Å; K420-H428 WeakPolarHBondContact O-CB 3.47Å; H428-E430 IonicContact CD2-OE1 2.75Å; H428-E430 PolarHBondContact CD2-OE1 3.46Å; H428-E430 IonicContact CD2-OE2 2.9Å; H428-E430 IonicContact NE2-OE1 2.91Å; H428-E430 IonicContact NE2-OE2 3.79Å |
| 429 | T | 97.1 | Very high | 86.5 | Confident | 29 Ų | 29 | 83 Ų | 83 | 18% | 0.178 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 121.9 | -175.5 | -59.9 | 0 | 0 | 0 | 0 | 108.6 | D413 L414 Q422 Y427 T431 S432 | D413-T429 HydrophobicContact CB-CG2 3.81Å; L414-T429 WeakPolarHBondContact O-CA 3.36Å; Q422-T429 PolarHBondContact NE2-OG1 3.2Å; Y427-T429 PolarHBondContact O-N 2.7Å; Y427-T429 PolarHBondContact O-OG1 2.87Å; T429-T431 WeakPolarHBondContact CG2-O 3.39Å; T429-S432 WeakPolarHBondContact CG2-OG 3.26Å |
| 430 | E | 95.6 | Very high | 84.1 | Confident | 49 Ų | 49 | 90.3 Ų | 90.3 | 23% | 0.229 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -38.5 | 178.5 | -51.8 | -69 | 174.9 | 0 | 0 | 110.5 | Y239 I293 L414 K419 H428 | Y239-E430 HydrophobicContact CD1-CG 4.33Å; Y239-E430 HydrophobicContact CE1-CG 3.58Å; Y239-E430 WeakPolarHBondContact CE1-OE1 3.33Å; Y239-E430 PolarHBondContact OH-OE1 3.47Å; I293-E430 HydrophobicContact CG2-CB 4.16Å; I293-E430 HydrophobicContact CG2-CG 3.77Å; L414-E430 HydrophobicContact CD2-CB 4.26Å; L414-E430 HydrophobicContact CG-CB 4.39Å; L414-E430 PolarHBondContact O-N 3.08Å; K419-E430 WeakPolarHBondContact CD-OE1 3.47Å; K419-E430 VanDerWaalsContact CE-OE1 3.26Å; K419-E430 WeakPolarHBondContact CE-OE1 3.26Å; K419-E430 VanDerWaalsContact NZ-CD 3.27Å; K419-E430 IonicContact NZ-OE1 3.24Å; K419-E430 PolarHBondContact NZ-OE1 3.28Å; K419-E430 IonicContact NZ-OE2 2.67Å; K419-E430 PolarHBondContact NZ-OE2 3.3Å; K419-E430 VanDerWaalsContact NZ-OE2 3.07Å; H428-E430 IonicContact CD2-OE1 2.75Å; H428-E430 PolarHBondContact CD2-OE1 3.46Å; H428-E430 IonicContact CD2-OE2 2.9Å; H428-E430 IonicContact NE2-OE1 2.91Å; H428-E430 IonicContact NE2-OE2 3.79Å |
| 431 | T | 95.8 | Very high | 81.7 | Confident | 37 Ų | 37 | 85.1 Ų | 85.1 | 23% | 0.227 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 157.3 | 175.4 | -170.2 | 0 | 0 | 0 | 0 | 110.8 | A297 L300 L414 T429 | A297-T431 VanDerWaalsContact CA-CG2 3.5Å; A297-T431 HydrophobicContact CB-CG2 3.56Å; L300-T431 HydrophobicContact CB-CG2 4.38Å; L300-T431 HydrophobicContact CD2-CG2 4.04Å; L414-T431 HydrophobicContact CB-CG2 3.79Å; L414-T431 HydrophobicContact CD2-CG2 4.15Å; L414-T431 PolarHBondContact N-O 3.33Å; T429-T431 WeakPolarHBondContact CG2-O 3.39Å |
| 432 | S | 96.5 | Very high | 79.5 | Confident | 52 Ų | 52 | 89.1 Ų | 89.1 | 36% | 0.364 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 129.7 | 177.4 | -67.3 | 0 | 0 | 0 | 0 | 109.8 | L412 D413 T429 | L412-S432 CarbonylContact O-C 3.47Å; L412-S432 WeakPolarHBondContact O-CA 3.41Å; D413-S432 VanDerWaalsContact OD1-CB 3.25Å; D413-S432 WeakPolarHBondContact OD1-CB 3.43Å; D413-S432 PolarHBondContact OD1-OG 3.02Å; T429-S432 WeakPolarHBondContact CG2-OG 3.26Å |
| 433 | L | 94.9 | Very high | 77.8 | Confident | 5 Ų | 5 | 87.7 Ų | 87.7 | 3% | 0.026 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119.2 | 172.1 | 172.2 | 66.8 | 0 | 0 | 0 | 109.3 | L300 E304 V307 R411 L412 L435 | L300-L433 HydrophobicContact CD1-CB 4.48Å; L300-L433 HydrophobicContact CD1-CD2 4.22Å; L300-L433 HydrophobicContact CD2-CB 4.43Å; L300-L433 HydrophobicContact CG-CB 4.05Å; E304-L433 HydrophobicContact CB-CD1 3.42Å; E304-L433 VanDerWaalsContact CB-CD1 3.42Å; E304-L433 HydrophobicContact CG-CD1 3.7Å; V307-L433 HydrophobicContact CG2-CD2 4.19Å; R411-L433 CarbonylContact C-O 3.46Å; R411-L433 WeakPolarHBondContact CA-O 2.84Å; R411-L433 WeakPolarHBondContact CB-O 3.35Å; L412-L433 HydrophobicContact CB-CB 4.32Å; L412-L433 HydrophobicContact CD1-CD2 4.21Å; L412-L433 PolarHBondContact N-O 3.14Å; L412-L433 PolarHBondContact O-N 3Å; L433-L435 HydrophobicContact CD2-CD2 4.08Å; L433-L435 HydrophobicContact CG-CD2 4.07Å |
| 434 | Q | 92.9 | Very high | 76.7 | Confident | 113 Ų | 113 | 82.9 Ų | 82.9 | 53% | 0.528 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 133.3 | 178.5 | -60.4 | -70.7 | 22.6 | 0 | 0 | 111.1 | ||
| 435 | L | 85.9 | Confident | 76.1 | Confident | 32 Ų | 32 | 85.5 Ų | 85.5 | 17% | 0.168 | 44% | 0.436 | C | S | . | . | trans | -106.4 | -25.3 | 178.9 | -53.6 | -172.8 | 0 | 0 | 0 | 112.2 | V307 L311 V409 E410 L412 L433 | V307-L435 HydrophobicContact CB-CD2 4.28Å; V307-L435 HydrophobicContact CG1-CD1 4.39Å; V307-L435 HydrophobicContact CG1-CD2 3.41Å; V307-L435 VanDerWaalsContact CG1-CD2 3.41Å; L311-L435 HydrophobicContact CD1-CB 4.22Å; L311-L435 HydrophobicContact CD1-CD1 4.34Å; V409-L435 HydrophobicContact CB-CD1 4.42Å; V409-L435 HydrophobicContact CG1-CD1 3.56Å; E410-L435 PolarHBondContact O-N 3.3Å; L412-L435 HydrophobicContact CD2-CD1 4.06Å; L412-L435 HydrophobicContact CG-CD1 4.04Å; L412-L435 HydrophobicContact CG-CD2 4.47Å; L412-L435 HydrophobicContact CG-CG 4.44Å; L433-L435 HydrophobicContact CD2-CD2 4.08Å; L433-L435 HydrophobicContact CG-CD2 4.07Å | ||
| 436 | G | 63.1 | Low | 75.5 | Confident | 49 Ų | 49 | 86.5 Ų | 86.5 | 51% | 0.505 | 44% | 0.442 | S | S | . | . | trans | -97.6 | 108.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E410 | E410-G436 PolarHBondContact O-N 2.88Š| ||
| 437 | G | 53.1 | Low | 74.8 | Confident | 72 Ų | 72 | 90.4 Ų | 90.4 | 74% | 0.742 | 46% | 0.46 | S | S | * | . | trans | -175.1 | -16.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 438 | R | 47.5 | Very low | 74.3 | Confident | 213 Ų | 213 | 92.8 Ų | 92.8 | 80% | 0.804 | 48% | 0.476 | S | S | * | . | trans | -108.9 | 60.6 | 167.8 | -60.6 | -173.2 | -167.9 | -101.4 | 1 | 110.3 | R440 | R438-R440 PolarHBondContact O-N 3.03Š| ||
| 439 | R | 43.9 | Very low | 74 | Confident | 213 Ų | 213 | 95 Ų | 95 | 80% | 0.804 | 49% | 0.489 | S | S | * | . | trans | -58.9 | 103.7 | 133.1 | -81.9 | -156.6 | -166.3 | -123.6 | 3.9 | 103.6 | S441 | R439-S441 PolarHBondContact O-N 3.14Š| ||
| 440 | R | 44.7 | Very low | 73.7 | Confident | 231 Ų | 231 | 100.8 Ų | 100.8 | 87% | 0.872 | 51% | 0.507 | S | S | * | . | -53.7 | 103.1 | 130 | -117.4 | -176.9 | 177.9 | 177.6 | -0.6 | 101.2 | R438 E442 | R438-R440 PolarHBondContact O-N 3.03Å; R440-E442 PolarHBondContact O-N 3.25Å | |||
| 441 | S | 45.8 | Very low | 73.6 | Confident | 83 Ų | 83 | 102.4 Ų | 102.4 | 58% | 0.58 | 52% | 0.52 | S | S | * | . | trans | -39.4 | 131.6 | 159.1 | 11.2 | 0 | 0 | 0 | 0 | 104.5 | R439 P443 | R439-S441 PolarHBondContact O-N 3.14Å; S441-P443 WeakPolarHBondContact O-CA 3.29Å; S441-P443 WeakPolarHBondContact O-CD 3.33Å | ||
| 442 | E | 50.8 | Low | 73.5 | Confident | 179 Ų | 179 | 103.3 Ų | 103.3 | 84% | 0.836 | 53% | 0.528 | S | S | * | . | trans | -40.6 | 115.6 | 165.9 | -163.8 | 172.5 | -155.4 | 0 | 0 | 105.4 | R440 D444 | R440-E442 PolarHBondContact O-N 3.25Å; E442-D444 PolarHBondContact O-N 2.93Å | ||
| 443 | P | 58.2 | Low | 73.4 | Confident | 49 Ų | 49 | 108.7 Ų | 108.7 | 32% | 0.318 | 54% | 0.541 | S | S | . | . | trans | -55.4 | 122.3 | -164.8 | 18.3 | -30.3 | 0 | 0 | 0 | 105.8 | S441 E445 E447 L448 | S441-P443 WeakPolarHBondContact O-CA 3.29Å; S441-P443 WeakPolarHBondContact O-CD 3.33Å; P443-E445 PolarHBondContact O-N 3.38Å; P443-E447 HydrophobicContact CB-CB 4.15Å; P443-L448 HydrophobicContact CB-CD2 4.22Å; P443-L448 HydrophobicContact CB-CG 4.07Å; P443-L448 HydrophobicContact CG-CD1 4.21Å; P443-L448 HydrophobicContact CG-CD2 3.71Å; P443-L448 HydrophobicContact CG-CG 3.87Å | ||
| 444 | D | 70.2 | Confident | 73.5 | Confident | 106 Ų | 106 | 117.1 Ų | 117.1 | 57% | 0.567 | 57% | 0.572 | S | S | * | * | trans | -47.3 | 145.6 | -178.2 | 177.5 | 30.5 | 0 | 0 | 0 | 108.5 | E442 A446 E447 L448 | E442-D444 PolarHBondContact O-N 2.93Å; D444-A446 CarbonylContact O-C 3.58Å; D444-A446 PolarHBondContact O-N 2.82Å; D444-A446 WeakPolarHBondContact OD2-CB 3.49Å; D444-E447 WeakPolarHBondContact O-CA 3.38Å; D444-E447 WeakPolarHBondContact O-CB 3.45Å; D444-E447 PolarHBondContact O-N 2.89Å; D444-L448 PolarHBondContact O-N 3.04Å; D444-L448 VanDerWaalsContact O-N 3.09Å | ||
| 445 | E | 77.6 | Confident | 73.7 | Confident | 149 Ų | 149 | 117.3 Ų | 117.3 | 70% | 0.696 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -53.5 | -33.4 | -177.1 | -169.8 | 178.1 | 173.5 | 0 | 0 | 110.4 | P443 E447 L448 L449 | P443-E445 PolarHBondContact O-N 3.38Å; E445-E447 PolarHBondContact O-N 3.18Å; E445-L448 PolarHBondContact O-N 3.06Å; E445-L449 HydrophobicContact CG-CD1 4.31Å; E445-L449 WeakPolarHBondContact O-CB 3.43Å; E445-L449 VanDerWaalsContact O-CG 3.25Å; E445-L449 WeakPolarHBondContact O-CG 3.47Å; E445-L449 PolarHBondContact O-N 3.44Å |
| 446 | A | 80.4 | Confident | 74.2 | Confident | 41 Ų | 41 | 120.1 Ų | 120.1 | 34% | 0.339 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.3 | -37 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D444 R450 | D444-A446 CarbonylContact O-C 3.58Å; D444-A446 PolarHBondContact O-N 2.82Å; D444-A446 WeakPolarHBondContact OD2-CB 3.49Å; A446-R450 WeakPolarHBondContact O-CB 3.49Å; A446-R450 VanDerWaalsContact O-CG 3.24Å; A446-R450 WeakPolarHBondContact O-CG 3.33Å; A446-R450 PolarHBondContact O-N 3.21Å |
| 447 | E | 83.3 | Confident | 75.8 | Confident | 91 Ų | 91 | 121.8 Ų | 121.8 | 43% | 0.425 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.4 | -42.8 | 172.8 | -86.7 | -164.4 | 163.8 | 0 | 0 | 112.6 | P443 D444 E445 L449 R450 V451 | P443-E447 HydrophobicContact CB-CB 4.15Å; D444-E447 WeakPolarHBondContact O-CA 3.38Å; D444-E447 WeakPolarHBondContact O-CB 3.45Å; D444-E447 PolarHBondContact O-N 2.89Å; E445-E447 PolarHBondContact O-N 3.18Å; E447-L449 VanDerWaalsContact C-N 3.32Å; E447-L449 PolarHBondContact O-N 3Å; E447-R450 PolarHBondContact O-N 2.88Å; E447-R450 IonicContact OE1-NH2 3.71Å; E447-V451 WeakPolarHBondContact O-CG2 3.47Å; E447-V451 PolarHBondContact O-N 3.26Å |
| 448 | L | 87 | Confident | 77.8 | Confident | 96 Ų | 96 | 122.5 Ų | 122.5 | 50% | 0.503 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.9 | -40.8 | 175.8 | -71.7 | 171 | 0 | 0 | 0 | 111.5 | P443 D444 E445 V451 S452 | P443-L448 HydrophobicContact CB-CD2 4.22Å; P443-L448 HydrophobicContact CB-CG 4.07Å; P443-L448 HydrophobicContact CG-CD1 4.21Å; P443-L448 HydrophobicContact CG-CD2 3.71Å; P443-L448 HydrophobicContact CG-CG 3.87Å; D444-L448 PolarHBondContact O-N 3.04Å; D444-L448 VanDerWaalsContact O-N 3.09Å; E445-L448 PolarHBondContact O-N 3.06Å; L448-V451 PolarHBondContact O-N 3.5Å; L448-S452 WeakPolarHBondContact O-CB 3.26Å; L448-S452 PolarHBondContact O-N 3.48Å; L448-S452 PolarHBondContact O-OG 2.95Å |
| 449 | L | 89.6 | Confident | 80.2 | Confident | 106 Ų | 106 | 115.1 Ų | 115.1 | 56% | 0.555 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.1 | -39.3 | 173.5 | -72.5 | 169.3 | 0 | 0 | 0 | 112 | E445 E447 S452 R453 | E445-L449 HydrophobicContact CG-CD1 4.31Å; E445-L449 WeakPolarHBondContact O-CB 3.43Å; E445-L449 VanDerWaalsContact O-CG 3.25Å; E445-L449 WeakPolarHBondContact O-CG 3.47Å; E445-L449 PolarHBondContact O-N 3.44Å; E447-L449 VanDerWaalsContact C-N 3.32Å; E447-L449 PolarHBondContact O-N 3Å; L449-S452 WeakPolarHBondContact CA-OG 3.43Å; L449-S452 PolarHBondContact O-OG 3.46Å; L449-R453 WeakPolarHBondContact O-CB 3.46Å; L449-R453 PolarHBondContact O-N 3.45Å |
| 450 | R | 91.2 | Very high | 82.7 | Confident | 150 Ų | 150 | 108.6 Ų | 108.6 | 57% | 0.566 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.4 | -42.9 | 174.8 | -75.9 | -174.1 | -61.6 | -143.2 | 10.8 | 112.5 | A446 E447 R454 | A446-R450 WeakPolarHBondContact O-CB 3.49Å; A446-R450 VanDerWaalsContact O-CG 3.24Å; A446-R450 WeakPolarHBondContact O-CG 3.33Å; A446-R450 PolarHBondContact O-N 3.21Å; E447-R450 PolarHBondContact O-N 2.88Å; E447-R450 IonicContact OE1-NH2 3.71Å; R450-R454 PolarHBondContact O-N 2.88Å |
| 451 | V | 92.3 | Very high | 85.2 | Confident | 83 Ų | 83 | 100.9 Ų | 100.9 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.7 | -45.1 | -179.7 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | E447 L448 R454 L455 | E447-V451 WeakPolarHBondContact O-CG2 3.47Å; E447-V451 PolarHBondContact O-N 3.26Å; L448-V451 PolarHBondContact O-N 3.5Å; V451-R454 PolarHBondContact O-N 3.45Å; V451-L455 HydrophobicContact CG1-CD1 4.09Å; V451-L455 WeakPolarHBondContact O-CG 3.26Å; V451-L455 PolarHBondContact O-N 3.48Å |
| 452 | S | 94.6 | Very high | 87.6 | Confident | 56 Ų | 56 | 105 Ų | 105 | 39% | 0.392 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 175.9 | 57.3 | 0 | 0 | 0 | 0 | 111.7 | L448 L449 R454 L455 V456 | L448-S452 WeakPolarHBondContact O-CB 3.26Å; L448-S452 PolarHBondContact O-N 3.48Å; L448-S452 PolarHBondContact O-OG 2.95Å; L449-S452 WeakPolarHBondContact CA-OG 3.43Å; L449-S452 PolarHBondContact O-OG 3.46Å; S452-R454 PolarHBondContact O-N 2.9Å; S452-L455 PolarHBondContact O-N 3.24Å; S452-V456 WeakPolarHBondContact O-CG2 3.3Å; S452-V456 PolarHBondContact O-N 2.89Å |
| 453 | R | 95.4 | Very high | 89.7 | Confident | 166 Ų | 166 | 99.1 Ų | 99.1 | 63% | 0.626 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.5 | -47 | 173.9 | -177.7 | 177.1 | 172.5 | -163.4 | -5.3 | 112.1 | L449 L455 V456 E457 | L449-R453 WeakPolarHBondContact O-CB 3.46Å; L449-R453 PolarHBondContact O-N 3.45Å; R453-L455 PolarHBondContact O-N 3.24Å; R453-V456 PolarHBondContact O-N 3.19Å; R453-E457 HydrophobicContact CG-CG 4.41Å; R453-E457 IonicContact CZ-OE1 3.97Å; R453-E457 IonicContact NE-OE1 2.82Å; R453-E457 PolarHBondContact NE-OE1 3.27Å; R453-E457 IonicContact NH2-OE1 3.92Å; R453-E457 PolarHBondContact NH2-OE1 3.37Å; R453-E457 WeakPolarHBondContact O-CG 3.02Å; R453-E457 PolarHBondContact O-N 3.17Å |
| 454 | R | 95.7 | Very high | 91.5 | Very high | 182 Ų | 182 | 102.1 Ų | 102.1 | 69% | 0.687 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.6 | -43 | 176.6 | -83.2 | -175.2 | 178.4 | -178.7 | 0.6 | 112.6 | R450 V451 S452 V456 E457 D458 | R450-R454 PolarHBondContact O-N 2.88Å; V451-R454 PolarHBondContact O-N 3.45Å; S452-R454 PolarHBondContact O-N 2.9Å; R454-V456 VanDerWaalsContact C-N 3.3Å; R454-V456 PolarHBondContact O-N 3.13Å; R454-E457 PolarHBondContact O-N 3.09Å; R454-D458 WeakPolarHBondContact O-CB 3.13Å; R454-D458 PolarHBondContact O-N 2.98Å |
| 455 | L | 96.8 | Very high | 92.6 | Very high | 116 Ų | 116 | 102.8 Ų | 102.8 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.6 | -39.7 | 178.1 | -73.4 | 169.3 | 0 | 0 | 0 | 111.7 | V451 S452 R453 A459 | V451-L455 HydrophobicContact CG1-CD1 4.09Å; V451-L455 WeakPolarHBondContact O-CG 3.26Å; V451-L455 PolarHBondContact O-N 3.48Å; S452-L455 PolarHBondContact O-N 3.24Å; R453-L455 PolarHBondContact O-N 3.24Å; L455-A459 WeakPolarHBondContact O-CB 3.49Å; L455-A459 PolarHBondContact O-N 3.39Å |
| 456 | V | 97.3 | Very high | 93.4 | Very high | 92 Ų | 92 | 101 Ų | 101 | 56% | 0.558 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.7 | -46.7 | 175 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | S452 R453 R454 D458 A459 V460 | S452-V456 WeakPolarHBondContact O-CG2 3.3Å; S452-V456 PolarHBondContact O-N 2.89Å; R453-V456 PolarHBondContact O-N 3.19Å; R454-V456 VanDerWaalsContact C-N 3.3Å; R454-V456 PolarHBondContact O-N 3.13Å; V456-D458 VanDerWaalsContact C-N 3.34Å; V456-D458 PolarHBondContact O-N 3.28Å; V456-A459 PolarHBondContact O-N 3.02Å; V456-V460 HydrophobicContact CG1-CG2 4.34Å; V456-V460 WeakPolarHBondContact O-CB 3.21Å; V456-V460 VanDerWaalsContact O-CG2 3.3Å; V456-V460 WeakPolarHBondContact O-CG2 3.16Å; V456-V460 PolarHBondContact O-N 2.98Å |
| 457 | E | 95.9 | Very high | 94 | Very high | 84 Ų | 84 | 106 Ų | 106 | 39% | 0.393 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 177.7 | -74.2 | 173.8 | 173.6 | 0 | 0 | 112 | R453 R454 S461 | R453-E457 HydrophobicContact CG-CG 4.41Å; R453-E457 IonicContact CZ-OE1 3.97Å; R453-E457 IonicContact NE-OE1 2.82Å; R453-E457 PolarHBondContact NE-OE1 3.27Å; R453-E457 IonicContact NH2-OE1 3.92Å; R453-E457 PolarHBondContact NH2-OE1 3.37Å; R453-E457 WeakPolarHBondContact O-CG 3.02Å; R453-E457 PolarHBondContact O-N 3.17Å; R454-E457 PolarHBondContact O-N 3.09Å; E457-S461 VanDerWaalsContact O-CB 3.3Å; E457-S461 WeakPolarHBondContact O-CB 3.33Å; E457-S461 PolarHBondContact O-N 2.94Å; E457-S461 PolarHBondContact O-OG 3.15Å |
| 458 | D | 96.9 | Very high | 94.3 | Very high | 86 Ų | 86 | 108.2 Ų | 108.2 | 46% | 0.46 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 174.6 | -101 | 31.7 | 0 | 0 | 0 | 111.8 | R454 V456 S461 R462 | R454-D458 WeakPolarHBondContact O-CB 3.13Å; R454-D458 PolarHBondContact O-N 2.98Å; V456-D458 VanDerWaalsContact C-N 3.34Å; V456-D458 PolarHBondContact O-N 3.28Å; D458-S461 PolarHBondContact O-N 3.33Å; D458-R462 WeakPolarHBondContact O-CB 3.4Å; D458-R462 VanDerWaalsContact O-CG 3.25Å; D458-R462 WeakPolarHBondContact O-CG 3Å; D458-R462 PolarHBondContact O-N 3.28Å; D458-R462 IonicContact OD2-NH2 3.74Å |
| 459 | A | 96.6 | Very high | 94.3 | Very high | 58 Ų | 58 | 108.5 Ų | 108.5 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L455 V456 R462 A463 | L455-A459 WeakPolarHBondContact O-CB 3.49Å; L455-A459 PolarHBondContact O-N 3.39Å; V456-A459 PolarHBondContact O-N 3.02Å; A459-R462 PolarHBondContact O-N 3.36Å; A459-A463 WeakPolarHBondContact O-CB 3.42Å; A459-A463 PolarHBondContact O-N 2.99Å |
| 460 | V | 97.2 | Very high | 94.1 | Very high | 76 Ų | 76 | 107.9 Ų | 107.9 | 46% | 0.461 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 176.2 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | V456 R462 A463 L464 | V456-V460 HydrophobicContact CG1-CG2 4.34Å; V456-V460 WeakPolarHBondContact O-CB 3.21Å; V456-V460 VanDerWaalsContact O-CG2 3.3Å; V456-V460 WeakPolarHBondContact O-CG2 3.16Å; V456-V460 PolarHBondContact O-N 2.98Å; V460-R462 VanDerWaalsContact C-N 3.34Å; V460-R462 PolarHBondContact O-N 3.25Å; V460-A463 PolarHBondContact O-N 3.41Å; V460-L464 HydrophobicContact CG1-CD1 3.98Å; V460-L464 HydrophobicContact CG1-CG 4.46Å; V460-L464 WeakPolarHBondContact O-CB 3.42Å; V460-L464 WeakPolarHBondContact O-CG 3.49Å; V460-L464 PolarHBondContact O-N 3.04Å |
| 461 | S | 96.2 | Very high | 93.6 | Very high | 69 Ų | 69 | 103.7 Ų | 103.7 | 48% | 0.483 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 178.3 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | E457 D458 L464 Q465 | E457-S461 VanDerWaalsContact O-CB 3.3Å; E457-S461 WeakPolarHBondContact O-CB 3.33Å; E457-S461 PolarHBondContact O-N 2.94Å; E457-S461 PolarHBondContact O-OG 3.15Å; D458-S461 PolarHBondContact O-N 3.33Å; S461-L464 PolarHBondContact O-N 3.39Å; S461-Q465 WeakPolarHBondContact O-CB 3.22Å; S461-Q465 PolarHBondContact O-N 3.36Å |
| 462 | R | 95.9 | Very high | 92.4 | Very high | 171 Ų | 171 | 105.7 Ų | 105.7 | 65% | 0.645 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.2 | -42.7 | 175.1 | -70.7 | 172.9 | -162.9 | -128.7 | 4.8 | 111.8 | D458 A459 V460 Q465 Q466 | D458-R462 WeakPolarHBondContact O-CB 3.4Å; D458-R462 VanDerWaalsContact O-CG 3.25Å; D458-R462 WeakPolarHBondContact O-CG 3Å; D458-R462 PolarHBondContact O-N 3.28Å; D458-R462 IonicContact OD2-NH2 3.74Å; A459-R462 PolarHBondContact O-N 3.36Å; V460-R462 VanDerWaalsContact C-N 3.34Å; V460-R462 PolarHBondContact O-N 3.25Å; R462-Q465 PolarHBondContact O-N 3.22Å; R462-Q466 WeakPolarHBondContact O-CB 3.21Å; R462-Q466 PolarHBondContact O-N 3.04Å |
| 463 | A | 95.8 | Very high | 90.7 | Very high | 55 Ų | 55 | 110 Ų | 110 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A459 V460 Q466 Y467 | A459-A463 WeakPolarHBondContact O-CB 3.42Å; A459-A463 PolarHBondContact O-N 2.99Å; V460-A463 PolarHBondContact O-N 3.41Å; A463-Q466 PolarHBondContact O-N 3.03Å; A463-Y467 WeakPolarHBondContact O-CB 3.44Å; A463-Y467 PolarHBondContact O-N 3.16Å |
| 464 | L | 95.3 | Very high | 88.8 | Confident | 111 Ų | 111 | 108.5 Ų | 108.5 | 58% | 0.581 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.8 | -40.4 | 175.2 | -78.9 | 170.2 | 0 | 0 | 0 | 112.2 | V460 S461 Q466 Y467 K468 | V460-L464 HydrophobicContact CG1-CD1 3.98Å; V460-L464 HydrophobicContact CG1-CG 4.46Å; V460-L464 WeakPolarHBondContact O-CB 3.42Å; V460-L464 WeakPolarHBondContact O-CG 3.49Å; V460-L464 PolarHBondContact O-N 3.04Å; S461-L464 PolarHBondContact O-N 3.39Å; L464-Q466 VanDerWaalsContact C-N 3.35Å; L464-Y467 PolarHBondContact O-N 3.33Å; L464-K468 WeakPolarHBondContact O-CB 3.13Å; L464-K468 PolarHBondContact O-N 3.32Å |
| 465 | Q | 93.6 | Very high | 86.7 | Confident | 121 Ų | 121 | 103.1 Ų | 103.1 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.6 | -40.6 | 177 | -169.6 | 172 | 12.6 | 0 | 0 | 111.4 | S461 R462 K468 Q469 | S461-Q465 WeakPolarHBondContact O-CB 3.22Å; S461-Q465 PolarHBondContact O-N 3.36Å; R462-Q465 PolarHBondContact O-N 3.22Å; Q465-K468 PolarHBondContact O-N 3.39Å; Q465-Q469 WeakPolarHBondContact O-CG 3.48Å; Q465-Q469 PolarHBondContact O-N 3.46Å |
| 466 | Q | 93.8 | Very high | 84.4 | Confident | 110 Ų | 110 | 100.3 Ų | 100.3 | 51% | 0.514 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.2 | -48.8 | 173.3 | -177.7 | 177.6 | -13.6 | 0 | 0 | 111.1 | R462 A463 L464 K468 Q469 E470 | R462-Q466 WeakPolarHBondContact O-CB 3.21Å; R462-Q466 PolarHBondContact O-N 3.04Å; A463-Q466 PolarHBondContact O-N 3.03Å; L464-Q466 VanDerWaalsContact C-N 3.35Å; Q466-K468 VanDerWaalsContact C-N 3.31Å; Q466-K468 PolarHBondContact O-N 3.43Å; Q466-Q469 PolarHBondContact O-N 3.08Å; Q466-Q469 VanDerWaalsContact O-N 3.09Å; Q466-E470 HydrophobicContact CG-CG 4.39Å; Q466-E470 VanDerWaalsContact CG-OE1 3.3Å; Q466-E470 WeakPolarHBondContact CG-OE1 3.42Å; Q466-E470 PolarHBondContact NE2-OE1 3.23Å; Q466-E470 WeakPolarHBondContact O-CG 3.5Å; Q466-E470 PolarHBondContact O-N 2.89Å |
| 467 | Y | 93 | Very high | 82.1 | Confident | 148 Ų | 148 | 99.5 Ų | 99.5 | 58% | 0.58 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -57 | -43.8 | 176.1 | 174.9 | -99.2 | 0 | 0 | 0 | 112.2 | A463 L464 Q469 E470 T471 | A463-Y467 WeakPolarHBondContact O-CB 3.44Å; A463-Y467 PolarHBondContact O-N 3.16Å; L464-Y467 PolarHBondContact O-N 3.33Å; Y467-Q469 VanDerWaalsContact C-N 3.34Å; Y467-Q469 PolarHBondContact O-N 3.26Å; Y467-E470 PolarHBondContact O-N 3.37Å; Y467-T471 HydrophobicContact CD1-CG2 4.3Å; Y467-T471 HydrophobicContact CD2-CG2 4.03Å; Y467-T471 HydrophobicContact CE1-CG2 3.88Å; Y467-T471 HydrophobicContact CE2-CG2 3.6Å; Y467-T471 HydrophobicContact CG-CG2 4.37Å; Y467-T471 WeakPolarHBondContact O-CB 3.45Å; Y467-T471 WeakPolarHBondContact O-CG2 3.39Å; Y467-T471 PolarHBondContact O-N 3.3Å; Y467-T471 PolarHBondContact O-OG1 3.06Å |
| 468 | K | 90.9 | Very high | 79.8 | Confident | 136 Ų | 136 | 101 Ų | 101 | 59% | 0.591 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.2 | -38.4 | 177 | -172.8 | 176.4 | 179.1 | -179.6 | 0 | 111.8 | L464 Q465 Q466 T471 L472 | L464-K468 WeakPolarHBondContact O-CB 3.13Å; L464-K468 PolarHBondContact O-N 3.32Å; Q465-K468 PolarHBondContact O-N 3.39Å; Q466-K468 VanDerWaalsContact C-N 3.31Å; Q466-K468 PolarHBondContact O-N 3.43Å; K468-T471 WeakPolarHBondContact CA-OG1 3.4Å; K468-T471 PolarHBondContact O-OG1 3.41Å; K468-L472 HydrophobicContact CG-CD1 3.76Å; K468-L472 HydrophobicContact CG-CG 4.44Å; K468-L472 VanDerWaalsContact O-CB 3.27Å; K468-L472 WeakPolarHBondContact O-CB 3.39Å; K468-L472 WeakPolarHBondContact O-CD1 3.49Å; K468-L472 WeakPolarHBondContact O-CG 3.43Å; K468-L472 PolarHBondContact O-N 3.36Å; K468-L472 VanDerWaalsContact O-N 3.12Å |
| 469 | Q | 87.5 | Confident | 76.9 | Confident | 103 Ų | 103 | 105 Ų | 105 | 48% | 0.481 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.4 | -44.1 | 175.5 | -76.9 | 176.2 | 1 | 0 | 0 | 111.8 | Q465 Q466 Y467 L472 Q473 | Q465-Q469 WeakPolarHBondContact O-CG 3.48Å; Q465-Q469 PolarHBondContact O-N 3.46Å; Q466-Q469 PolarHBondContact O-N 3.08Å; Q466-Q469 VanDerWaalsContact O-N 3.09Å; Y467-Q469 VanDerWaalsContact C-N 3.34Å; Y467-Q469 PolarHBondContact O-N 3.26Å; Q469-L472 PolarHBondContact O-N 3.18Å; Q469-Q473 VanDerWaalsContact O-CB 3.23Å; Q469-Q473 WeakPolarHBondContact O-CB 3.43Å; Q469-Q473 VanDerWaalsContact O-CG 3.26Å; Q469-Q473 WeakPolarHBondContact O-CG 3.34Å; Q469-Q473 PolarHBondContact O-N 2.87Å |
| 470 | E | 85.4 | Confident | 74.5 | Confident | 93 Ų | 93 | 107.1 Ų | 107.1 | 44% | 0.435 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.5 | -39.7 | 179.9 | -71.7 | 174.9 | -175 | 0 | 0 | 111.9 | Q466 Y467 N474 | Q466-E470 HydrophobicContact CG-CG 4.39Å; Q466-E470 VanDerWaalsContact CG-OE1 3.3Å; Q466-E470 WeakPolarHBondContact CG-OE1 3.42Å; Q466-E470 PolarHBondContact NE2-OE1 3.23Å; Q466-E470 WeakPolarHBondContact O-CG 3.5Å; Q466-E470 PolarHBondContact O-N 2.89Å; Y467-E470 PolarHBondContact O-N 3.37Å; E470-N474 WeakPolarHBondContact O-CB 3.49Å; E470-N474 PolarHBondContact O-N 3.45Å; E470-N474 PolarHBondContact O-ND2 2.94Å |
| 471 | T | 79.3 | Confident | 71.8 | Confident | 62 Ų | 62 | 107.9 Ų | 107.9 | 38% | 0.38 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -71.7 | -33.3 | 177.1 | 49.4 | 0 | 0 | 0 | 0 | 113.4 | Y467 K468 G475 | Y467-T471 HydrophobicContact CD1-CG2 4.3Å; Y467-T471 HydrophobicContact CD2-CG2 4.03Å; Y467-T471 HydrophobicContact CE1-CG2 3.88Å; Y467-T471 HydrophobicContact CE2-CG2 3.6Å; Y467-T471 HydrophobicContact CG-CG2 4.37Å; Y467-T471 WeakPolarHBondContact O-CB 3.45Å; Y467-T471 WeakPolarHBondContact O-CG2 3.39Å; Y467-T471 PolarHBondContact O-N 3.3Å; Y467-T471 PolarHBondContact O-OG1 3.06Å; K468-T471 WeakPolarHBondContact CA-OG1 3.4Å; K468-T471 PolarHBondContact O-OG1 3.41Å; T471-G475 PolarHBondContact O-N 3.08Å |
| 472 | L | 66.5 | Low | 69.1 | Low | 125 Ų | 125 | 109 Ų | 109 | 65% | 0.654 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -81.4 | -32.4 | 176.7 | -66.9 | 173.5 | 0 | 0 | 0 | 112.8 | K468 Q469 | K468-L472 HydrophobicContact CG-CD1 3.76Å; K468-L472 HydrophobicContact CG-CG 4.44Å; K468-L472 VanDerWaalsContact O-CB 3.27Å; K468-L472 WeakPolarHBondContact O-CB 3.39Å; K468-L472 WeakPolarHBondContact O-CD1 3.49Å; K468-L472 WeakPolarHBondContact O-CG 3.43Å; K468-L472 PolarHBondContact O-N 3.36Å; K468-L472 VanDerWaalsContact O-N 3.12Å; Q469-L472 PolarHBondContact O-N 3.18Å |
| 473 | Q | 59.7 | Low | 66.3 | Low | 146 Ų | 146 | 109.5 Ų | 109.5 | 68% | 0.682 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -78.6 | -29.6 | 175.8 | -70.7 | 179 | 22.6 | 0 | 0 | 112.6 | Q469 G475 | Q469-Q473 VanDerWaalsContact O-CB 3.23Å; Q469-Q473 WeakPolarHBondContact O-CB 3.43Å; Q469-Q473 VanDerWaalsContact O-CG 3.26Å; Q469-Q473 WeakPolarHBondContact O-CG 3.34Å; Q469-Q473 PolarHBondContact O-N 2.87Å; Q473-G475 VanDerWaalsContact C-N 3.32Å |
| 474 | N | 56.2 | Low | 63.3 | Low | 135 Ų | 135 | 115.7 Ų | 115.7 | 72% | 0.722 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 1.7 | 174.1 | -63.6 | -31.2 | 0 | 0 | 0 | 113.5 | E470 G476 | E470-N474 WeakPolarHBondContact O-CB 3.49Å; E470-N474 PolarHBondContact O-N 3.45Å; E470-N474 PolarHBondContact O-ND2 2.94Å; N474-G476 VanDerWaalsContact C-N 3.28Å; N474-G476 PolarHBondContact O-N 3.26Å |
| 475 | G | 50.8 | Low | 60.4 | Low | 68 Ų | 68 | 116.8 Ų | 116.8 | 70% | 0.701 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -1.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | T471 Q473 | T471-G475 PolarHBondContact O-N 3.08Å; Q473-G475 VanDerWaalsContact C-N 3.32Å |
| 476 | G | 49.5 | Very low | 57.9 | Low | 57 Ų | 57 | 117 Ų | 117 | 59% | 0.588 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -120.9 | 95.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | N474 | N474-G476 VanDerWaalsContact C-N 3.28Å; N474-G476 PolarHBondContact O-N 3.26Å |
| 477 | G | 48.1 | Very low | 54.7 | Low | 75 Ų | 75 | 115.2 Ų | 115.2 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | trans | -58.2 | 151.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 478 | P | 46.5 | Very low | 51.6 | Low | 115 Ų | 115 | 113 Ų | 113 | 75% | 0.747 | 71% | 0.712 | S | S | * | * | -149.7 | 149.3 | 86.9 | 35.5 | -17.4 | 0 | 0 | 0 | 114.9 | |||||
| 479 | N | 38 | Very low | 48.7 | Very low | 170 Ų | 170 | 112.4 Ų | 112.4 | 91% | 0.909 | 72% | 0.72 | S | S | * | * | trans | -145.3 | 89.5 | 140.1 | -99.1 | -26.2 | 0 | 0 | 0 | 109.1 | ||||
| 480 | A | 45.2 | Very low | 46.1 | Very low | 103 Ų | 103 | 116.1 Ų | 116.1 | 85% | 0.851 | 74% | 0.737 | S | S | * | * | trans | -76.9 | 105.2 | 150.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 481 | A | 39.9 | Very low | 43.5 | Very low | 92 Ų | 92 | 120 Ų | 120 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | trans | -175.2 | 118.8 | 145.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 482 | A | 41 | Very low | 41.2 | Very low | 94 Ų | 94 | 123.3 Ų | 123.3 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | trans | 61.7 | 101.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 483 | L | 35.3 | Very low | 39.7 | Very low | 180 Ų | 180 | 125.9 Ų | 125.9 | 94% | 0.942 | 78% | 0.782 | S | S | * | * | -150.1 | 140.4 | 115.1 | -127.4 | 81 | 0 | 0 | 0 | 109.9 | |||||
| 484 | Q | 33.6 | Very low | 38.3 | Very low | 185 Ų | 185 | 124.4 Ų | 124.4 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -72.5 | 147.3 | -165.7 | -62.6 | 161.4 | -2.8 | 0 | 0 | 112.1 | ||||
| 485 | T | 34.8 | Very low | 37.2 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -59.4 | 148.7 | 153.5 | 13.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 486 | P | 39.9 | Very low | 36.3 | Very low | 127 Ų | 127 | 126.5 Ų | 126.5 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | -149.9 | 159.9 | 93.3 | 36.4 | -18 | 0 | 0 | 0 | 117 | |||||
| 487 | G | 26.6 | Very low | 35.6 | Very low | 71 Ų | 71 | 129.7 Ų | 129.7 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | trans | 95.3 | 97 | 155.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 488 | S | 28.7 | Very low | 34.9 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | 96 | 131.9 | 74.6 | -178.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 489 | T | 29.9 | Very low | 34.3 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | 69.3 | 129.9 | 155.7 | 35.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 490 | E | 32.4 | Very low | 34.5 | Very low | 182 Ų | 182 | 128.6 Ų | 128.6 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | cis | -150.5 | 167 | 17.4 | -76.5 | -156.9 | 136.6 | 0 | 0 | 112.4 | ||||
| 491 | E | 32.2 | Very low | 34.1 | Very low | 174 Ų | 174 | 127.9 Ų | 127.9 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | -50 | 145.6 | 168.3 | -48.3 | 179.3 | 150.5 | 0 | 0 | 114.4 | ||||
| 492 | T | 30.3 | Very low | 34.1 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | -175.8 | 119.1 | 107.5 | 3.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 493 | K | 34.2 | Very low | 34.1 | Very low | 180 Ų | 180 | 130.5 Ų | 130.5 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | 33.1 | 136.5 | 131.2 | -85.2 | -176.7 | 172.8 | 174.5 | 0 | 122.9 | ||||
| 494 | T | 31.3 | Very low | 34.2 | Very low | 114 Ų | 114 | 127 Ų | 127 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | trans | 69 | 144.1 | 135.4 | 56.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 495 | D | 32.9 | Very low | 34.7 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | cis | -164.2 | 147.9 | 6.7 | -122.2 | -42 | 0 | 0 | 0 | 108.5 | ||||
| 496 | T | 32.9 | Very low | 35.4 | Very low | 114 Ų | 114 | 135 Ų | 135 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | trans | 25.7 | 143.4 | 132.1 | -42.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 497 | T | 33.3 | Very low | 35.2 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | trans | 112.5 | 97.4 | 147.8 | -36 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 498 | A | 33.7 | Very low | 35.6 | Very low | 73 Ų | 73 | 138.7 Ų | 138.7 | 60% | 0.603 | 75% | 0.754 | S | S | * | * | 75.5 | 127.5 | 66.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 499 | N | 35.2 | Very low | 36 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | trans | 72.6 | 145.1 | 158.4 | -53 | -17.7 | 0 | 0 | 0 | 114.9 | ||||
| 500 | S | 40.3 | Very low | 36.4 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | cis | -163 | 138.2 | 28.3 | 72.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 501 | S | 38.1 | Very low | 36.6 | Very low | 88 Ų | 88 | 139.3 Ų | 139.3 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | 84.4 | 116.2 | 97.9 | -164.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 502 | T | 40.5 | Very low | 36.9 | Very low | 118 Ų | 118 | 137 Ų | 137 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | trans | 55.8 | 142.5 | 132.4 | 66.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 503 | D | 39.1 | Very low | 37.4 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | cis | 178.6 | 162.9 | 39.4 | -149 | -14 | 0 | 0 | 0 | 108 | ||||
| 504 | N | 38.9 | Very low | 37.6 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 57% | 0.567 | 74% | 0.739 | S | S | * | * | trans | 69.1 | 111 | 153.3 | -68.4 | -48.1 | 0 | 0 | 0 | 119.6 | ||||
| 505 | R | 44.3 | Very low | 38.1 | Very low | 219 Ų | 219 | 135.8 Ų | 135.8 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | 70.9 | 113.5 | 75.4 | -163.2 | -179.6 | -158.5 | 172.6 | 4.5 | 108.6 | |||||
| 506 | K | 48.3 | Very low | 38.6 | Very low | 267 Ų | 267 | 136 Ų | 136 | 100% | 1.161 | 75% | 0.745 | S | S | * | * | -166.9 | 0 | 60.1 | -154.1 | 173.4 | -172.2 | -179.5 | 0 | 110.6 |
Retrieved 506 of 506 residues in 188.6 ms
(Link to these results)