| 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 | 41 | Very low | 47.5 | Very low | 232 Ų | 232 | 155.5 Ų | 155.5 | 100% | 1.143 | 84% | 0.842 | S | S | * | * | 0 | 109.2 | 0 | -72.4 | 159.9 | 165.6 | 0 | 0 | 105.4 | |||||
| 2 | S | 41.4 | Very low | 48.1 | Very low | 112 Ų | 112 | 152.3 Ų | 152.3 | 78% | 0.783 | 82% | 0.824 | S | S | * | * | 53.1 | 108.5 | 77.6 | 65.6 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 3 | G | 41.1 | Very low | 48.6 | Very low | 64 Ų | 64 | 154.8 Ų | 154.8 | 66% | 0.66 | 83% | 0.831 | S | S | * | * | 119 | 146.8 | 53 | 0 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 4 | D | 42.2 | Very low | 48.9 | Very low | 169 Ų | 169 | 151.4 Ų | 151.4 | 90% | 0.904 | 82% | 0.824 | S | S | * | * | cis | -142.6 | 171.9 | 7.2 | -61.6 | -60.2 | 0 | 0 | 0 | 108.9 | ||||
| 5 | D | 51.2 | Low | 48.7 | Very low | 160 Ų | 160 | 154.1 Ų | 154.1 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | trans | -140.5 | 137.9 | 175.3 | -150.8 | -23 | 0 | 0 | 0 | 110.6 | ||||
| 6 | E | 53.1 | Low | 48.7 | Very low | 185 Ų | 185 | 157.4 Ų | 157.4 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | trans | -90.4 | 120.4 | -166.6 | -66.3 | -169.5 | 123.6 | 0 | 0 | 112.2 | ||||
| 7 | M | 56.4 | Low | 48.4 | Very low | 188 Ų | 188 | 160.3 Ų | 160.3 | 93% | 0.926 | 83% | 0.834 | S | S | * | * | trans | -116 | 105.6 | 168.8 | -81.2 | -163.5 | -100.3 | 0 | 0 | 112.9 | ||||
| 8 | I | 47.8 | Very low | 47.8 | Very low | 171 Ų | 171 | 162.9 Ų | 162.9 | 88% | 0.877 | 84% | 0.838 | S | S | * | * | trans | -52.1 | 135.8 | 167.9 | -76.6 | 165.1 | 0 | 0 | 0 | 111 | ||||
| 9 | F | 44.9 | Very low | 47.2 | Very low | 189 Ų | 189 | 165.2 Ų | 165.2 | 83% | 0.829 | 84% | 0.841 | S | S | * | * | trans | -109 | 111.8 | -178.2 | -169.4 | -90.9 | 0 | 0 | 0 | 112 | ||||
| 10 | D | 50.8 | Low | 46.8 | Very low | 124 Ų | 124 | 167.7 Ų | 167.7 | 66% | 0.663 | 85% | 0.845 | S | S | * | * | trans | -81.1 | 117.3 | -177 | -172.9 | -13.2 | 0 | 0 | 0 | 112.1 | N12 | D10-N12 VanDerWaalsContact C-N 3.32Å; D10-N12 PolarHBondContact O-N 3.2Å | ||
| 11 | P | 53.1 | Low | 46.4 | Very low | 116 Ų | 116 | 169.5 Ų | 169.5 | 75% | 0.753 | 85% | 0.848 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 19 | -160.4 | 32.1 | -38 | 0 | 0 | 0 | 117.2 | ||
| 12 | N | 54.7 | Low | 46.6 | Very low | 118 Ų | 118 | 168 Ų | 168 | 63% | 0.631 | 84% | 0.835 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | -3.6 | -172.9 | -150.1 | 10.7 | 0 | 0 | 0 | 116.9 | D10 | D10-N12 VanDerWaalsContact C-N 3.32Å; D10-N12 PolarHBondContact O-N 3.2Å |
| 13 | M | 54.6 | Low | 46.4 | Very low | 185 Ų | 185 | 168.5 Ų | 168.5 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -105.2 | 52.7 | -168.8 | -83.4 | -70.5 | -80.3 | 0 | 0 | 116.6 | ||
| 14 | S | 51.8 | Low | 45.8 | Very low | 106 Ų | 106 | 174 Ų | 174 | 74% | 0.741 | 84% | 0.842 | S | S | * | * | trans | -147 | 3.9 | 176.1 | 65.4 | 0 | 0 | 0 | 0 | 118.7 | K16 | S14-K16 PolarHBondContact O-N 2.94Š| ||
| 15 | K | 47.1 | Very low | 45.7 | Very low | 192 Ų | 192 | 174.7 Ų | 174.7 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | trans | -79.6 | 74 | -177.1 | -70.4 | 174.2 | -177.6 | 161.4 | 0 | 114.2 | ||||
| 16 | K | 47.7 | Very low | 45 | Very low | 207 Ų | 207 | 173.1 Ų | 173.1 | 90% | 0.9 | 83% | 0.832 | S | S | * | * | trans | -88.8 | 133.4 | 172 | -86.3 | 179.7 | 176.2 | 172 | 0 | 113.5 | S14 | S14-K16 PolarHBondContact O-N 2.94Š| ||
| 17 | K | 44.1 | Very low | 44.2 | Very low | 207 Ų | 207 | 170.5 Ų | 170.5 | 90% | 0.9 | 82% | 0.824 | S | S | * | * | trans | -68.1 | 146.1 | -172.3 | -58.7 | 170.3 | 179.7 | 175 | 0 | 113.7 | ||||
| 18 | K | 37 | Very low | 43.2 | Very low | 208 Ų | 208 | 169.9 Ų | 169.9 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | trans | -143.6 | 109.5 | 158.7 | -103.8 | 176.7 | -176.4 | 173.9 | 0 | 113.7 | ||||
| 19 | K | 36.8 | Very low | 42.5 | Very low | 206 Ų | 206 | 170.1 Ų | 170.1 | 90% | 0.896 | 82% | 0.816 | S | S | * | * | trans | 33.7 | 107 | 152.3 | -57.9 | -173.8 | 177.5 | -173.8 | 0 | 119.6 | ||||
| 20 | K | 38.5 | Very low | 41.7 | Very low | 214 Ų | 214 | 164.8 Ų | 164.8 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 153.5 | 142.6 | -77.3 | -175.3 | 175.1 | -176.8 | 0 | 109.4 | ||
| 21 | K | 40 | Very low | 40.6 | Very low | 206 Ų | 206 | 162.8 Ų | 162.8 | 90% | 0.896 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 152.6 | 164.9 | -71.8 | -174.8 | 176 | -175.6 | 0 | 109.7 | ||
| 22 | K | 44.4 | Very low | 39.4 | Very low | 202 Ų | 202 | 165.7 Ų | 165.7 | 88% | 0.878 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 143.8 | 172.5 | -60.2 | -172 | 176.3 | -171.4 | 0 | 110.8 | ||
| 23 | P | 37.6 | Very low | 38.2 | Very low | 122 Ų | 122 | 163.9 Ų | 163.9 | 79% | 0.792 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 165.5 | 145.8 | 35.1 | -31.4 | 0 | 0 | 0 | 110.3 | ||
| 24 | F | 28.2 | Very low | 37.1 | Very low | 180 Ų | 180 | 160.2 Ų | 160.2 | 79% | 0.789 | 84% | 0.841 | S | S | * | * | trans | -114.6 | 124.5 | 172.7 | 166 | -87.5 | 0 | 0 | 0 | 107.2 | ||||
| 25 | M | 40.5 | Very low | 36 | Very low | 183 Ų | 183 | 161 Ų | 161 | 90% | 0.901 | 85% | 0.846 | S | S | * | * | trans | -146.8 | 156.4 | 165.4 | -81.6 | -54.9 | -161.9 | 0 | 0 | 107.9 | ||||
| 26 | L | 36.6 | Very low | 35.1 | Very low | 126 Ų | 126 | 160.9 Ų | 160.9 | 66% | 0.66 | 85% | 0.849 | S | S | * | * | trans | -126.6 | 145.6 | -173.3 | -172.2 | 73.1 | 0 | 0 | 0 | 106.9 | ||||
| 27 | D | 36.2 | Very low | 34.1 | Very low | 130 Ų | 130 | 158.9 Ų | 158.9 | 70% | 0.695 | 85% | 0.848 | S | S | * | * | trans | 10.8 | 147.6 | 155.4 | -36 | -30.7 | 0 | 0 | 0 | 118.4 | ||||
| 28 | E | 34.8 | Very low | 33.6 | Very low | 175 Ų | 175 | 152.8 Ų | 152.8 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | cis | -159.1 | 151.6 | 9.3 | -142.9 | 165.2 | 138.8 | 0 | 0 | 104.6 | ||||
| 29 | E | 32.2 | Very low | 33.5 | Very low | 176 Ų | 176 | 148.9 Ų | 148.9 | 82% | 0.822 | 83% | 0.833 | S | S | * | * | 151.9 | 155.3 | 76.8 | -176.5 | 179.8 | 166.1 | 0 | 0 | 106.5 | |||||
| 30 | G | 28.5 | Very low | 33.3 | Very low | 77 Ų | 77 | 147.7 Ų | 147.7 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | 65.6 | 127 | 144.7 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 31 | G | 27.8 | Very low | 33.4 | Very low | 82 Ų | 82 | 143.5 Ų | 143.5 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | trans | 114.5 | 106.7 | 136.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 32 | D | 28.4 | Very low | 32.8 | Very low | 177 Ų | 177 | 142.4 Ų | 142.4 | 95% | 0.947 | 82% | 0.823 | S | S | * | * | trans | -78.2 | 160.7 | 159.1 | -67.3 | -82.8 | 0 | 0 | 0 | 112 | ||||
| 33 | G | 30 | Very low | 32.1 | Very low | 81 Ų | 81 | 137.5 Ų | 137.5 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | 145.8 | 119.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 34 | A | 30.1 | Very low | 31.8 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 88% | 0.884 | 83% | 0.825 | S | S | * | * | trans | -121.7 | 134.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 35 | S | 29.4 | Very low | 31.9 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | -154.3 | 158.2 | 164 | 60 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 36 | E | 28.1 | Very low | 31.4 | Very low | 191 Ų | 191 | 139.6 Ų | 139.6 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | trans | -99 | -170 | -170.8 | -63 | 170.5 | 110 | 0 | 0 | 112.4 | ||||
| 37 | D | 27.1 | Very low | 31 | Very low | 164 Ų | 164 | 142 Ų | 142 | 88% | 0.877 | 83% | 0.833 | S | S | * | * | trans | 86.5 | 155 | 160.8 | -113.9 | -45.5 | 0 | 0 | 0 | 121 | ||||
| 38 | A | 33.1 | Very low | 30.7 | Very low | 80 Ų | 80 | 142 Ų | 142 | 66% | 0.661 | 84% | 0.838 | S | S | * | * | trans | -125.8 | 165.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 39 | P | 36.2 | Very low | 30.2 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | -150 | -174.2 | 89.6 | 38 | -18.8 | 0 | 0 | 0 | 114.9 | |||||
| 40 | Q | 31.5 | Very low | 29.9 | Very low | 180 Ų | 180 | 136.3 Ų | 136.3 | 84% | 0.841 | 84% | 0.835 | S | S | * | * | trans | -74.8 | 167.2 | 170.9 | -63.3 | 173.3 | -25.1 | 0 | 0 | 112.2 | ||||
| 41 | P | 40.5 | Very low | 29.8 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | -140.8 | -161.5 | 107.5 | 40.2 | -27 | 0 | 0 | 0 | 114.4 | |||||
| 42 | E | 27.9 | Very low | 29.9 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 85% | 0.85 | 83% | 0.831 | S | S | * | * | trans | -100 | 161 | -150.6 | -62.8 | 160.7 | 97.8 | 0 | 0 | 117.9 | ||||
| 43 | A | 29.9 | Very low | 30 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | trans | 16.6 | 132.4 | 148.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 44 | K | 31.4 | Very low | 30.2 | Very low | 204 Ų | 204 | 146.4 Ų | 146.4 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | trans | -153.6 | 141 | 135.1 | -145.2 | 172.1 | -174.2 | 179 | 0 | 113.2 | ||||
| 45 | E | 28.6 | Very low | 30.4 | Very low | 185 Ų | 185 | 149.7 Ų | 149.7 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -96.9 | 142.1 | 173.5 | -58.3 | 169.2 | 147.5 | 0 | 0 | 110.6 | ||||
| 46 | V | 30.5 | Very low | 30.6 | Very low | 140 Ų | 140 | 150 Ų | 150 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -151.7 | 135.9 | 157.7 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 47 | E | 28.4 | Very low | 30.7 | Very low | 175 Ų | 175 | 147.5 Ų | 147.5 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -101.7 | -171.4 | 174.8 | -65.2 | -174.1 | 123.9 | 0 | 0 | 112.2 | ||||
| 48 | V | 29.3 | Very low | 31 | Very low | 131 Ų | 131 | 149.4 Ų | 149.4 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | 93.5 | 91.8 | 156.7 | -170.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 49 | D | 26.1 | Very low | 31.2 | Very low | 163 Ų | 163 | 152 Ų | 152 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | 87.7 | 152.3 | 120 | -154 | 26.1 | 0 | 0 | 0 | 123.3 | |||||
| 50 | G | 25.3 | Very low | 31.3 | Very low | 69 Ų | 69 | 154.8 Ų | 154.8 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | trans | 79.3 | 129.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 51 | G | 27.1 | Very low | 31.5 | Very low | 67 Ų | 67 | 153.4 Ų | 153.4 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | cis | 158.6 | 153.8 | -4.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 52 | E | 29.3 | Very low | 31 | Very low | 184 Ų | 184 | 154.2 Ų | 154.2 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | 62.2 | 148.6 | 165.3 | -59.7 | 173.6 | 161.8 | 0 | 0 | 117.1 | ||||
| 53 | D | 29.4 | Very low | 31.2 | Very low | 138 Ų | 138 | 147.7 Ų | 147.7 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | cis | -162 | 151.9 | -13.4 | -111.7 | -8.2 | 0 | 0 | 0 | 111.1 | ||||
| 54 | R | 35.6 | Very low | 31.4 | Very low | 239 Ų | 239 | 155.1 Ų | 155.1 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | 179.4 | 99.8 | 138.3 | -106.5 | 173.6 | 177.2 | 148.5 | 4.6 | 114.3 | ||||
| 55 | E | 32.7 | Very low | 31.7 | Very low | 176 Ų | 176 | 156.9 Ų | 156.9 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -91.3 | 152.3 | 153.1 | -61.9 | 179.9 | 148.8 | 0 | 0 | 109.8 | ||||
| 56 | V | 35.1 | Very low | 31.8 | Very low | 128 Ų | 128 | 157.7 Ų | 157.7 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -151 | 101.4 | 160.1 | -172.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 57 | D | 30.3 | Very low | 32.1 | Very low | 140 Ų | 140 | 159.5 Ų | 159.5 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | -90.2 | 164.3 | 164 | -82 | -57.6 | 0 | 0 | 0 | 111.6 | ||||
| 58 | F | 33.2 | Very low | 32.3 | Very low | 204 Ų | 204 | 159 Ų | 159 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | -158.4 | 127.8 | 166.7 | -117.5 | -80.8 | 0 | 0 | 0 | 111 | ||||
| 59 | D | 35.8 | Very low | 32.5 | Very low | 135 Ų | 135 | 157.5 Ų | 157.5 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | -105 | 161.1 | -169.1 | -81.5 | -62.3 | 0 | 0 | 0 | 115.8 | ||||
| 60 | E | 39.6 | Very low | 33.1 | Very low | 183 Ų | 183 | 156.9 Ų | 156.9 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | 40.4 | 152 | 146.6 | -61.5 | -176.8 | 141.2 | 0 | 0 | 122.1 | ||||
| 61 | D | 34.7 | Very low | 33.6 | Very low | 151 Ų | 151 | 161.3 Ų | 161.3 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | cis | -135.8 | -150.6 | -12.5 | -163.9 | -157.9 | 0 | 0 | 0 | 107.3 | ||||
| 62 | D | 31.7 | Very low | 34.2 | Very low | 145 Ų | 145 | 165.4 Ų | 165.4 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | cis | -142.3 | 157.6 | 6.8 | 149.3 | -73.4 | 0 | 0 | 0 | 107.9 | ||||
| 63 | G | 32.2 | Very low | 34.5 | Very low | 44 Ų | 44 | 163.8 Ų | 163.8 | 45% | 0.454 | 81% | 0.805 | S | S | . | * | cis | 142.6 | 73.3 | 1.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 64 | R | 33.6 | Very low | 34.9 | Very low | 256 Ų | 256 | 164.4 Ų | 164.4 | 97% | 0.966 | 81% | 0.808 | S | S | * | * | trans | -151.6 | 133.1 | 170.3 | -137.4 | 167.9 | -171.7 | 159.7 | 5.7 | 118.1 | ||||
| 65 | R | 36.7 | Very low | 35.1 | Very low | 241 Ų | 241 | 159.6 Ų | 159.6 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -76.7 | 150 | 177.4 | -54.8 | 176.1 | -177.8 | -179 | -1 | 113.2 | ||||
| 66 | K | 30.8 | Very low | 35.5 | Very low | 203 Ų | 203 | 158.1 Ų | 158.1 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -160.9 | 125.7 | 133.7 | -121.8 | -179.2 | 179.5 | -172.8 | 0 | 112.8 | ||||
| 67 | E | 37.1 | Very low | 35.6 | Very low | 177 Ų | 177 | 162 Ų | 162 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -104.7 | -164.8 | 160.1 | -63.2 | -179.8 | 154.2 | 0 | 0 | 108.7 | ||||
| 68 | I | 32.7 | Very low | 35.7 | Very low | 164 Ų | 164 | 163 Ų | 163 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | 84.1 | 125.2 | -171.3 | -54.1 | 164.6 | 0 | 0 | 0 | 112 | ||||
| 69 | S | 33.8 | Very low | 35.7 | Very low | 101 Ų | 101 | 159.4 Ų | 159.4 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | cis | -161 | 174.8 | -14.6 | 56 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 70 | D | 39 | Very low | 35.8 | Very low | 149 Ų | 149 | 159.8 Ų | 159.8 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -61.6 | 154.1 | 153.9 | -63 | -77.1 | 0 | 0 | 0 | 111.2 | ||||
| 71 | D | 35.2 | Very low | 35.7 | Very low | 163 Ų | 163 | 159.2 Ų | 159.2 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | -168.6 | 156.3 | 128.6 | -104.9 | -33.4 | 0 | 0 | 0 | 111 | |||||
| 72 | L | 40.5 | Very low | 35.9 | Very low | 152 Ų | 152 | 161.9 Ų | 161.9 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | trans | -115.5 | 154.2 | -179.7 | -81.8 | 165.3 | 0 | 0 | 0 | 111.4 | ||||
| 73 | D | 35.5 | Very low | 36.1 | Very low | 151 Ų | 151 | 165 Ų | 165 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | 63.5 | 149.4 | 172.4 | -57 | -38 | 0 | 0 | 0 | 114.3 | ||||
| 74 | D | 37.1 | Very low | 36.3 | Very low | 150 Ų | 150 | 172.8 Ų | 172.8 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | cis | -145.6 | -172.9 | 45.1 | -166.1 | 9.1 | 0 | 0 | 0 | 113.2 | ||||
| 75 | L | 40.1 | Very low | 36.3 | Very low | 138 Ų | 138 | 170.6 Ų | 170.6 | 72% | 0.723 | 81% | 0.814 | S | S | * | * | trans | -96.5 | 167.8 | -158.6 | -66.9 | 160.4 | 0 | 0 | 0 | 115.2 | ||||
| 76 | N | 40.3 | Very low | 36.3 | Very low | 146 Ų | 146 | 169.1 Ų | 169.1 | 78% | 0.781 | 81% | 0.814 | S | S | * | * | trans | 92.3 | 98.4 | 161.4 | -53.1 | -67.7 | 0 | 0 | 0 | 118.6 | ||||
| 77 | F | 37.4 | Very low | 36.6 | Very low | 209 Ų | 209 | 168.8 Ų | 168.8 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | -130.5 | 129.2 | 124.3 | -153.8 | -97.9 | 0 | 0 | 0 | 111.3 | |||||
| 78 | F | 32.8 | Very low | 36.6 | Very low | 162 Ų | 162 | 166.5 Ų | 166.5 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | -99.6 | 158.4 | -169.5 | -167.8 | -106.6 | 0 | 0 | 0 | 111.1 | ||||
| 79 | N | 33.5 | Very low | 36.7 | Very low | 127 Ų | 127 | 167.8 Ų | 167.8 | 68% | 0.679 | 81% | 0.813 | S | S | * | * | trans | 63.9 | 123.4 | 177.4 | -79 | -40.6 | 0 | 0 | 0 | 115.6 | ||||
| 80 | Q | 37.3 | Very low | 36.5 | Very low | 144 Ų | 144 | 168.9 Ų | 168.9 | 67% | 0.673 | 82% | 0.815 | S | S | * | * | -161.2 | 153.4 | 54 | -75.7 | -176.7 | 53.6 | 0 | 0 | 116 | |||||
| 81 | K | 38.5 | Very low | 35.9 | Very low | 171 Ų | 171 | 171 Ų | 171 | 74% | 0.743 | 82% | 0.818 | S | S | * | * | trans | 67 | 75.7 | 142.5 | -70 | 166 | -178.5 | 158.9 | 0 | 121.7 | ||||
| 82 | K | 38 | Very low | 35.7 | Very low | 206 Ų | 206 | 169.6 Ų | 169.6 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | 36 | 121 | 119.3 | -61.2 | 174.4 | 178.1 | 174.3 | 0 | 120.2 | |||||
| 83 | K | 36.9 | Very low | 35.2 | Very low | 210 Ų | 210 | 168.9 Ų | 168.9 | 91% | 0.913 | 81% | 0.807 | S | S | * | * | -160.3 | 109.5 | 128.8 | -112.1 | 166.5 | -172.5 | 177 | 0 | 115.3 | |||||
| 84 | K | 35.2 | Very low | 34.9 | Very low | 208 Ų | 208 | 168.4 Ų | 168.4 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | trans | 4.2 | 127.5 | 162.1 | -59.8 | 175.4 | 178.9 | 177.3 | 0 | 120.5 | ||||
| 85 | K | 33.3 | Very low | 34.5 | Very low | 211 Ų | 211 | 168.4 Ų | 168.4 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | trans | -115.1 | 152.6 | 142.6 | -76.5 | -179.1 | 176.1 | 177.2 | 0 | 109.1 | ||||
| 86 | K | 37.4 | Very low | 34.2 | Very low | 210 Ų | 210 | 170.2 Ų | 170.2 | 91% | 0.913 | 81% | 0.814 | S | S | * | * | trans | -105.8 | 152.8 | 174 | -79 | -171.9 | 175 | -178 | 0 | 111.1 | ||||
| 87 | K | 36.6 | Very low | 33.8 | Very low | 195 Ų | 195 | 172.4 Ų | 172.4 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | trans | -85.2 | 156 | 171.4 | -65 | -176.3 | 178.3 | -175.7 | 0 | 111 | ||||
| 88 | P | 37.7 | Very low | 33.4 | Very low | 129 Ų | 129 | 165.6 Ų | 165.6 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | -68.1 | 164.3 | 165.6 | 31.6 | -35.9 | 0 | 0 | 0 | 111.6 | ||||
| 89 | K | 35 | Very low | 33.3 | Very low | 192 Ų | 192 | 165.6 Ų | 165.6 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -122.1 | 144 | 169.1 | -88.1 | -165.5 | 170.2 | -165 | 0 | 109.9 | ||||
| 90 | T | 28.6 | Very low | 33.2 | Very low | 124 Ų | 124 | 168.8 Ų | 168.8 | 76% | 0.761 | 82% | 0.823 | S | S | * | * | trans | -83.6 | 157.4 | 157.5 | 46 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 91 | F | 26.5 | Very low | 33 | Very low | 192 Ų | 192 | 170 Ų | 170 | 84% | 0.842 | 83% | 0.829 | S | S | * | * | trans | -161.6 | 147.6 | 151.9 | -120.2 | -80.6 | 0 | 0 | 0 | 108 | ||||
| 92 | D | 31.1 | Very low | 32.7 | Very low | 135 Ų | 135 | 167.8 Ų | 167.8 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | trans | -116.6 | 154.2 | -175.3 | -73.6 | -79.2 | 0 | 0 | 0 | 112 | ||||
| 93 | N | 29.9 | Very low | 32.3 | Very low | 136 Ų | 136 | 166.3 Ų | 166.3 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | trans | 73.4 | 151.7 | 151.3 | -73 | 4.3 | 0 | 0 | 0 | 123.6 | ||||
| 94 | D | 28.7 | Very low | 32 | Very low | 142 Ų | 142 | 163.4 Ų | 163.4 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | 61.9 | 108.1 | 156.6 | -50.2 | -27.8 | 0 | 0 | 0 | 121.1 | ||||
| 95 | V | 29.7 | Very low | 31.6 | Very low | 149 Ų | 149 | 162.1 Ų | 162.1 | 90% | 0.903 | 81% | 0.808 | S | S | * | * | -161.5 | 148.4 | 110.5 | 142.1 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 96 | E | 33.7 | Very low | 31.4 | Very low | 176 Ų | 176 | 158.7 Ų | 158.7 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -104.7 | 174.9 | -171.5 | -160.4 | 170.2 | -170.2 | 0 | 0 | 112.7 | ||||
| 97 | E | 31.5 | Very low | 31.1 | Very low | 192 Ų | 192 | 157.1 Ų | 157.1 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | 65.9 | 131 | 169.5 | -55.9 | -157.7 | 110.6 | 0 | 0 | 119.5 | ||||
| 98 | G | 29.3 | Very low | 30.9 | Very low | 67 Ų | 67 | 153.9 Ų | 153.9 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | trans | 163.7 | 80.5 | 170 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 99 | I | 31.1 | Very low | 30.5 | Very low | 161 Ų | 161 | 153 Ų | 153 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | 60.5 | 97.8 | 150.2 | -56.1 | 155.8 | 0 | 0 | 0 | 114.9 | ||||
| 100 | K | 31.1 | Very low | 30.1 | Very low | 195 Ų | 195 | 152.1 Ų | 152.1 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | 52.5 | 156.1 | 71.2 | -85.4 | -175.8 | 175.1 | 176.3 | 0 | 115.7 | |||||
| 101 | E | 33.2 | Very low | 30.1 | Very low | 170 Ų | 170 | 152.5 Ų | 152.5 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 73.8 | 139.3 | 177.2 | -62.1 | -171.7 | -161.2 | 0 | 0 | 115.8 | ||||
| 102 | L | 31.4 | Very low | 30.1 | Very low | 123 Ų | 123 | 150.9 Ų | 150.9 | 64% | 0.644 | 80% | 0.797 | S | S | * | * | cis | -159.3 | 157.4 | 1.4 | -115.1 | 164.9 | 0 | 0 | 0 | 110.8 | ||||
| 103 | K | 30.2 | Very low | 30 | Very low | 176 Ų | 176 | 148.2 Ų | 148.2 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | trans | 70.3 | 149.8 | 155.9 | -79.5 | 161.9 | -176.1 | 171.5 | 0 | 118.4 | ||||
| 104 | I | 29.8 | Very low | 30.1 | Very low | 148 Ų | 148 | 150.9 Ų | 150.9 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | cis | -130.5 | 150.7 | 6.6 | -98.4 | 122.4 | 0 | 0 | 0 | 110.5 | ||||
| 105 | E | 28.6 | Very low | 30.1 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -95.7 | 146.6 | 171.8 | -60.4 | 143.9 | 146.6 | 0 | 0 | 111.7 | ||||
| 106 | T | 27.4 | Very low | 30.2 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | trans | -157.8 | 125.9 | 151.7 | 9.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 107 | E | 32.5 | Very low | 30.1 | Very low | 177 Ų | 177 | 145.7 Ų | 145.7 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | -81.3 | 167.6 | -174.1 | -58.6 | -172.9 | 158.2 | 0 | 0 | 113.3 | ||||
| 108 | P | 31.9 | Very low | 30.3 | Very low | 128 Ų | 128 | 144 Ų | 144 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | -122.7 | 156 | 111.7 | 36.4 | -34.4 | 0 | 0 | 0 | 113.8 | |||||
| 109 | S | 28.7 | Very low | 30.5 | Very low | 109 Ų | 109 | 148 Ų | 148 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -64 | 148.8 | -171.2 | 54.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 110 | E | 26.6 | Very low | 30.5 | Very low | 175 Ų | 175 | 149 Ų | 149 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -72 | 157.5 | 174.4 | -50 | 178.5 | 120 | 0 | 0 | 114.4 | ||||
| 111 | T | 28.5 | Very low | 30.7 | Very low | 131 Ų | 131 | 148.1 Ų | 148.1 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -146.8 | 102.4 | 133.7 | 50.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 112 | N | 28.1 | Very low | 30.7 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | 46.8 | 124.3 | 144.5 | -51.6 | -9.8 | 0 | 0 | 0 | 120.9 | ||||
| 113 | G | 28 | Very low | 31.2 | Very low | 80 Ų | 80 | 147.2 Ų | 147.2 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | 174.4 | 54.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 114 | E | 32.1 | Very low | 31.4 | Very low | 192 Ų | 192 | 148.5 Ų | 148.5 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | trans | -32.2 | 144.5 | -177.4 | 62.8 | -149.3 | 118.9 | 0 | 0 | 121.9 | ||||
| 115 | G | 29.3 | Very low | 31.5 | Very low | 71 Ų | 71 | 151 Ų | 151 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | trans | 83.3 | 85.1 | 156 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 116 | D | 30.8 | Very low | 31.8 | Very low | 147 Ų | 147 | 154.3 Ų | 154.3 | 79% | 0.786 | 83% | 0.829 | S | S | * | * | 47.6 | 98.4 | 80.5 | -159.4 | 32.2 | 0 | 0 | 0 | 113.3 | |||||
| 117 | L | 31.7 | Very low | 32 | Very low | 139 Ų | 139 | 157.7 Ų | 157.7 | 73% | 0.728 | 83% | 0.832 | S | S | * | * | -178.3 | 157.9 | 90 | -87 | 169.7 | 0 | 0 | 0 | 108.8 | |||||
| 118 | M | 35.7 | Very low | 32.3 | Very low | 156 Ų | 156 | 154.8 Ų | 154.8 | 77% | 0.768 | 83% | 0.831 | S | S | * | * | cis | -167.8 | 170.8 | -9.9 | -164.6 | -175.3 | -176 | 0 | 0 | 109.7 | ||||
| 119 | L | 33.4 | Very low | 32.3 | Very low | 153 Ų | 153 | 158.5 Ų | 158.5 | 80% | 0.801 | 83% | 0.834 | S | S | * | * | trans | 93.1 | 143.2 | 148.5 | -136.1 | 72 | 0 | 0 | 0 | 120.5 | ||||
| 120 | E | 31.4 | Very low | 32.6 | Very low | 182 Ų | 182 | 157.6 Ų | 157.6 | 85% | 0.85 | 83% | 0.833 | S | S | * | * | trans | -100.2 | 156.9 | -158.9 | -57.6 | 170.7 | 87.6 | 0 | 0 | 116.3 | G122 | E120-G122 PolarHBondContact O-N 2.61Å; E120-G122 VanDerWaalsContact O-N 3.14Å | ||
| 121 | L | 36.1 | Very low | 32.8 | Very low | 175 Ų | 175 | 156 Ų | 156 | 92% | 0.916 | 84% | 0.835 | S | S | * | * | trans | -78.6 | 90.9 | 168.3 | -79.2 | 89.8 | 0 | 0 | 0 | 113.1 | K123 | L121-K123 PolarHBondContact O-N 3.15Š| ||
| 122 | G | 33.5 | Very low | 32.9 | Very low | 79 Ų | 79 | 156 Ų | 156 | 81% | 0.814 | 83% | 0.83 | S | S | * | * | trans | -66.5 | 115.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | E120 | E120-G122 PolarHBondContact O-N 2.61Å; E120-G122 VanDerWaalsContact O-N 3.14Å | ||
| 123 | K | 41.3 | Very low | 32.9 | Very low | 196 Ų | 196 | 157.1 Ų | 157.1 | 85% | 0.852 | 83% | 0.828 | S | S | * | * | trans | -74.6 | 125.2 | 176.6 | -60.5 | 164.3 | -174.7 | 161.5 | 0 | 112.1 | L121 | L121-K123 PolarHBondContact O-N 3.15Š| ||
| 124 | K | 33.5 | Very low | 33 | Very low | 202 Ų | 202 | 159.4 Ų | 159.4 | 88% | 0.878 | 82% | 0.821 | S | S | * | * | trans | -166.3 | 119.4 | 148 | -102.5 | 137.9 | -168 | 173.3 | 0 | 116.4 | ||||
| 125 | K | 32 | Very low | 32.9 | Very low | 200 Ų | 200 | 157.3 Ų | 157.3 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | 54.7 | 96 | 124.7 | -150 | 173.4 | -168.9 | 177.2 | 0 | 119.1 | |||||
| 126 | R | 34.8 | Very low | 33 | Very low | 252 Ų | 252 | 161.5 Ų | 161.5 | 95% | 0.951 | 82% | 0.819 | S | S | * | * | trans | -56.3 | 142.6 | 163.7 | -78 | 178.7 | 159.1 | -172 | -7.9 | 112.7 | ||||
| 127 | K | 32.9 | Very low | 32.9 | Very low | 209 Ų | 209 | 162.3 Ų | 162.3 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | trans | -141.3 | 141.4 | 154.4 | -163.8 | 177.3 | -177.3 | -175.8 | 0 | 108.4 | ||||
| 128 | S | 38.2 | Very low | 32.9 | Very low | 116 Ų | 116 | 161.7 Ų | 161.7 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -85.7 | 145.9 | -173.7 | 45.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 129 | K | 31.5 | Very low | 32.7 | Very low | 206 Ų | 206 | 162.6 Ų | 162.6 | 90% | 0.896 | 83% | 0.825 | S | S | * | * | trans | -149.1 | 141.4 | 154.6 | -146 | 175.9 | -176.4 | -170.6 | 0 | 108.2 | ||||
| 130 | A | 36.1 | Very low | 32.7 | Very low | 91 Ų | 91 | 163.6 Ų | 163.6 | 75% | 0.752 | 83% | 0.826 | S | S | * | * | trans | -86.7 | 159.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 131 | V | 30.2 | Very low | 33 | Very low | 141 Ų | 141 | 162.4 Ų | 162.4 | 86% | 0.855 | 82% | 0.823 | S | S | * | * | trans | -136.9 | 134.7 | 168.6 | -169.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 132 | N | 30.8 | Very low | 32.9 | Very low | 130 Ų | 130 | 162.4 Ų | 162.4 | 70% | 0.695 | 82% | 0.816 | S | S | * | * | trans | -77.2 | 164.8 | 175 | -65.2 | -4.3 | 0 | 0 | 0 | 110 | ||||
| 133 | F | 26.6 | Very low | 32.6 | Very low | 182 Ų | 182 | 165.4 Ų | 165.4 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | trans | -126.9 | 85.4 | 174.3 | -143.3 | -93.8 | 0 | 0 | 0 | 108.5 | M135 | F133-M135 HydrophobicContact CD1-CG 3.62Å; F133-M135 HydrophobicContact CD1-SD 4.41Å; F133-M135 HydrophobicContact CE1-CG 3.4Å; F133-M135 HydrophobicContact CE1-SD 3.62Å; F133-M135 HydrophobicContact CZ-CG 4.41Å; F133-M135 HydrophobicContact CZ-SD 4.15Å | ||
| 134 | D | 31.1 | Very low | 32 | Very low | 129 Ų | 129 | 162.9 Ų | 162.9 | 69% | 0.69 | 81% | 0.809 | S | S | * | * | trans | -96.7 | 124.5 | 168 | -57.7 | -79.5 | 0 | 0 | 0 | 106.2 | ||||
| 135 | M | 30.9 | Very low | 32.1 | Very low | 147 Ų | 147 | 158.3 Ų | 158.3 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | trans | -123.8 | 106.2 | 176.4 | -70.5 | -96.2 | 64.6 | 0 | 0 | 107.3 | F133 | F133-M135 HydrophobicContact CD1-CG 3.62Å; F133-M135 HydrophobicContact CD1-SD 4.41Å; F133-M135 HydrophobicContact CE1-CG 3.4Å; F133-M135 HydrophobicContact CE1-SD 3.62Å; F133-M135 HydrophobicContact CZ-CG 4.41Å; F133-M135 HydrophobicContact CZ-SD 4.15Å | ||
| 136 | D | 31.3 | Very low | 32.2 | Very low | 159 Ų | 159 | 157.6 Ų | 157.6 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -76 | 165.7 | 171.1 | -77.5 | -60.5 | 0 | 0 | 0 | 111.7 | ||||
| 137 | D | 28.3 | Very low | 32.2 | Very low | 164 Ų | 164 | 153.9 Ų | 153.9 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -73.3 | -175.1 | -167.1 | -158.6 | 4.4 | 0 | 0 | 0 | 115 | ||||
| 138 | D | 31.5 | Very low | 32.2 | Very low | 126 Ų | 126 | 151.3 Ų | 151.3 | 67% | 0.674 | 80% | 0.798 | S | S | * | * | trans | 82.8 | 104.4 | 163.4 | -164.3 | 20 | 0 | 0 | 0 | 119 | ||||
| 139 | M | 31.1 | Very low | 31.9 | Very low | 175 Ų | 175 | 152.9 Ų | 152.9 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | trans | -155.7 | 101.1 | 131.2 | -169.3 | 150.6 | -68.6 | 0 | 0 | 112.4 | ||||
| 140 | E | 32.7 | Very low | 32 | Very low | 175 Ų | 175 | 148.1 Ų | 148.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 25.3 | 133.6 | 152.9 | -58.5 | -167.2 | 135.1 | 0 | 0 | 122.5 | ||||
| 141 | I | 37.8 | Very low | 31.8 | Very low | 156 Ų | 156 | 147.3 Ų | 147.3 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -73.3 | 138.6 | 165.2 | -63.2 | 165.9 | 0 | 0 | 0 | 110.2 | ||||
| 142 | K | 34 | Very low | 32.3 | Very low | 176 Ų | 176 | 148.2 Ų | 148.2 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | -142.7 | 112.2 | 155.5 | -170 | 176 | 177.5 | -167 | 0 | 112.6 | D144 | K142-D144 VanDerWaalsContact CE-OD2 3.26Å; K142-D144 WeakPolarHBondContact CE-OD2 3.42Å; K142-D144 IonicContact NZ-OD2 3.34Å; K142-D144 PolarHBondContact NZ-OD2 3.45Å | ||
| 143 | D | 27.9 | Very low | 32.7 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | trans | -73.8 | 138.3 | 164.2 | -60.1 | -65 | 0 | 0 | 0 | 110.8 | ||||
| 144 | D | 28 | Very low | 33.2 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -154.7 | 127.4 | 150.4 | -98.2 | -49.3 | 0 | 0 | 0 | 106.4 | K142 | K142-D144 VanDerWaalsContact CE-OD2 3.26Å; K142-D144 WeakPolarHBondContact CE-OD2 3.42Å; K142-D144 IonicContact NZ-OD2 3.34Å; K142-D144 PolarHBondContact NZ-OD2 3.45Å | ||
| 145 | A | 37.3 | Very low | 33.6 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | -104.8 | 139.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 146 | Q | 33.2 | Very low | 33.9 | Very low | 185 Ų | 185 | 147.4 Ų | 147.4 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -147.7 | 147.2 | 160 | -163.2 | 165 | -32.7 | 0 | 0 | 110.3 | ||||
| 147 | E | 35.9 | Very low | 34.4 | Very low | 175 Ų | 175 | 147.9 Ų | 147.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -93.7 | -163.6 | -172.6 | -59 | 179.2 | 125.2 | 0 | 0 | 111.7 | ||||
| 148 | D | 31.8 | Very low | 34.7 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | 75.5 | 137.7 | -177.6 | -47.6 | -33 | 0 | 0 | 0 | 115.9 | ||||
| 149 | D | 31.6 | Very low | 35.2 | Very low | 150 Ų | 150 | 147.2 Ų | 147.2 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | cis | -159.2 | 161 | -20.4 | -173.2 | 24.8 | 0 | 0 | 0 | 110.3 | ||||
| 150 | D | 33.5 | Very low | 35.4 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 56% | 0.561 | 77% | 0.766 | S | S | * | * | trans | 49.9 | 71.2 | 157.8 | -133 | 12.5 | 0 | 0 | 0 | 122.1 | K152 | D150-K152 PolarHBondContact O-N 3.06Å; D150-K152 IonicContact OD1-NZ 3.17Å; D150-K152 PolarHBondContact OD1-NZ 3.29Å; D150-K152 IonicContact OD2-NZ 2.7Å; D150-K152 PolarHBondContact OD2-NZ 3.38Å | ||
| 151 | G | 33.3 | Very low | 36.1 | Very low | 75 Ų | 75 | 139.6 Ų | 139.6 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | -94.5 | 64.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | N153 | G151-N153 PolarHBondContact O-N 3.37Å; G151-N153 VanDerWaalsContact O-N 3.11Å | ||
| 152 | K | 40.7 | Very low | 36.1 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | trans | -72.2 | 100.5 | -177.5 | -72.1 | -176.8 | 174.1 | 69.6 | 0 | 114 | D150 | D150-K152 PolarHBondContact O-N 3.06Å; D150-K152 IonicContact OD1-NZ 3.17Å; D150-K152 PolarHBondContact OD1-NZ 3.29Å; D150-K152 IonicContact OD2-NZ 2.7Å; D150-K152 PolarHBondContact OD2-NZ 3.38Å | ||
| 153 | N | 38.6 | Very low | 36.9 | Very low | 140 Ų | 140 | 138.2 Ų | 138.2 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | trans | -63.4 | 140.9 | 162.4 | -89.4 | -101.3 | 0 | 0 | 0 | 111.2 | G151 | G151-N153 PolarHBondContact O-N 3.37Å; G151-N153 VanDerWaalsContact O-N 3.11Å | ||
| 154 | I | 37.4 | Very low | 37.8 | Very low | 152 Ų | 152 | 139.3 Ų | 139.3 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -134.7 | 31.7 | 171.4 | 60.8 | 165 | 0 | 0 | 0 | 113.3 | D156 | I154-D156 PolarHBondContact O-N 3.07Š| ||
| 155 | D | 38.5 | Very low | 39.2 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | trans | -79.1 | 63.1 | 175.7 | -75.4 | -16.8 | 0 | 0 | 0 | 112.4 | ||||
| 156 | D | 37 | Very low | 40.5 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 66% | 0.658 | 74% | 0.736 | S | S | * | * | trans | -128.2 | 75.6 | 160.3 | -175.3 | 2.1 | 0 | 0 | 0 | 110.2 | I154 T158 | I154-D156 PolarHBondContact O-N 3.07Å; D156-T158 VanDerWaalsContact C-N 3.34Å; D156-T158 PolarHBondContact O-N 2.96Å; D156-T158 WeakPolarHBondContact OD1-CA 3.35Å; D156-T158 WeakPolarHBondContact OD1-CB 3.46Å; D156-T158 PolarHBondContact OD1-N 2.84Å; D156-T158 VanDerWaalsContact OD1-N 3.09Å; D156-T158 PolarHBondContact OD1-OG1 2.9Å | ||
| 157 | I | 43 | Very low | 41.7 | Very low | 169 Ų | 169 | 129.9 Ų | 129.9 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | trans | -93.3 | 79.4 | 158.8 | -58 | -176.5 | 0 | 0 | 0 | 107.2 | F159 | I157-F159 PolarHBondContact O-N 3.07Š| ||
| 158 | T | 34.3 | Very low | 42.8 | Very low | 93 Ų | 93 | 123.4 Ų | 123.4 | 57% | 0.571 | 70% | 0.701 | S | S | * | * | trans | -44.3 | 127.4 | 177.2 | -87.7 | 0 | 0 | 0 | 0 | 112.9 | D156 S160 | D156-T158 VanDerWaalsContact C-N 3.34Å; D156-T158 PolarHBondContact O-N 2.96Å; D156-T158 WeakPolarHBondContact OD1-CA 3.35Å; D156-T158 WeakPolarHBondContact OD1-CB 3.46Å; D156-T158 PolarHBondContact OD1-N 2.84Å; D156-T158 VanDerWaalsContact OD1-N 3.09Å; D156-T158 PolarHBondContact OD1-OG1 2.9Å; T158-S160 VanDerWaalsContact C-N 3.32Å; T158-S160 PolarHBondContact O-N 2.93Å | ||
| 159 | F | 42.7 | Very low | 44 | Very low | 182 Ų | 182 | 120.1 Ų | 120.1 | 80% | 0.798 | 70% | 0.695 | S | S | * | * | trans | -69.4 | 75.6 | -179.6 | 173.5 | -104.4 | 0 | 0 | 0 | 112.6 | I157 S161 | I157-F159 PolarHBondContact O-N 3.07Å; F159-S161 VanDerWaalsContact CE1-OG 3.31Å; F159-S161 WeakPolarHBondContact CE1-OG 3.32Å; F159-S161 VanDerWaalsContact CE2-OG 3.31Å; F159-S161 WeakPolarHBondContact CE2-OG 3.49Å; F159-S161 WeakPolarHBondContact CZ-OG 3.33Å; F159-S161 PolarHBondContact O-N 2.73Å | ||
| 160 | S | 34.6 | Very low | 45.6 | Very low | 102 Ų | 102 | 116.9 Ų | 116.9 | 71% | 0.713 | 70% | 0.698 | S | S | * | * | trans | -83 | 86 | 173.3 | -73.2 | 0 | 0 | 0 | 0 | 111.7 | T158 T162 | T158-S160 VanDerWaalsContact C-N 3.32Å; T158-S160 PolarHBondContact O-N 2.93Å; S160-T162 VanDerWaalsContact C-N 3.33Å; S160-T162 PolarHBondContact O-N 2.92Å | ||
| 161 | S | 47.1 | Very low | 47.1 | Very low | 88 Ų | 88 | 114.4 Ų | 114.4 | 62% | 0.615 | 69% | 0.688 | S | S | * | * | trans | -72.9 | 75.5 | 175.9 | -78 | 0 | 0 | 0 | 0 | 113.6 | F159 | F159-S161 VanDerWaalsContact CE1-OG 3.31Å; F159-S161 WeakPolarHBondContact CE1-OG 3.32Å; F159-S161 VanDerWaalsContact CE2-OG 3.31Å; F159-S161 WeakPolarHBondContact CE2-OG 3.49Å; F159-S161 WeakPolarHBondContact CZ-OG 3.33Å; F159-S161 PolarHBondContact O-N 2.73Å | ||
| 162 | T | 38.7 | Very low | 48.5 | Very low | 108 Ų | 108 | 120.9 Ų | 120.9 | 66% | 0.663 | 70% | 0.699 | S | S | * | * | trans | -137.1 | 120.4 | 166.8 | -49.6 | 0 | 0 | 0 | 0 | 112.1 | S160 L164 | S160-T162 VanDerWaalsContact C-N 3.33Å; S160-T162 PolarHBondContact O-N 2.92Å; T162-L164 PolarHBondContact O-N 2.79Å | ||
| 163 | Q | 50 | Low | 50.2 | Low | 195 Ų | 195 | 122.3 Ų | 122.3 | 91% | 0.911 | 70% | 0.699 | S | S | * | * | trans | -5.8 | 84.3 | 164.6 | -60.5 | 169.5 | -85.2 | 0 | 0 | 117.2 | ||||
| 164 | L | 45.8 | Very low | 52 | Low | 165 Ų | 165 | 122.8 Ų | 122.8 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | trans | -124.5 | 139.8 | 158.6 | -70.5 | 173.3 | 0 | 0 | 0 | 108.8 | T162 | T162-L164 PolarHBondContact O-N 2.79Š| ||
| 165 | G | 58.8 | Low | 54 | Low | 51 Ų | 51 | 120.7 Ų | 120.7 | 53% | 0.526 | 69% | 0.685 | S | S | . | * | trans | -70.1 | -172.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111 | A167 | G165-A167 PolarHBondContact O-N 2.82Š| ||
| 166 | P | 64.8 | Low | 56.3 | Low | 89 Ų | 89 | 116.6 Ų | 116.6 | 58% | 0.578 | 67% | 0.666 | S | S | * | * | trans | -49.4 | 141.7 | 166.7 | -23.5 | 33.6 | 0 | 0 | 0 | 110 | W168 A169 | P166-W168 PolarHBondContact O-N 3.05Å; P166-A169 VanDerWaalsContact O-CB 3.24Å; P166-A169 WeakPolarHBondContact O-CB 3.49Å; P166-A169 PolarHBondContact O-N 2.96Å | ||
| 167 | A | 57.9 | Low | 58.8 | Low | 95 Ų | 95 | 119 Ų | 119 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 0.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | G165 | G165-A167 PolarHBondContact O-N 2.82Š|
| 168 | W | 59.5 | Low | 61 | Low | 39 Ų | 39 | 115.5 Ų | 115.5 | 15% | 0.148 | 65% | 0.65 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -100.7 | -4.6 | 178.8 | -60.3 | 84.8 | 0 | 0 | 0 | 113 | P166 G170 R173 D174 Y175 E179 | P166-W168 PolarHBondContact O-N 3.05Å; W168-G170 PolarHBondContact O-N 3.21Å; W168-R173 HydrophobicContact CE3-CB 4.39Å; W168-R173 HydrophobicContact CH2-CB 4.4Å; W168-R173 HydrophobicContact CH2-CG 4.13Å; W168-R173 HydrophobicContact CZ3-CB 3.67Å; W168-R173 HydrophobicContact CZ3-CG 3.84Å; W168-R173 WeakPolarHBondContact CZ3-O 3.45Å; W168-D174 WeakPolarHBondContact CH2-O 3.3Å; W168-D174 WeakPolarHBondContact CZ3-O 3.37Å; W168-Y175 HydrophobicContact CB-CD1 4.1Å; W168-Y175 HydrophobicContact CB-CE1 3.45Å; W168-Y175 VanDerWaalsContact CB-CE1 3.45Å; W168-Y175 AromaticContact CD2-CD1 3.63Å; W168-Y175 HydrophobicContact CD2-CD1 3.63Å; W168-Y175 AromaticContact CD2-CE1 3.92Å; W168-Y175 HydrophobicContact CD2-CE1 3.92Å; W168-Y175 HydrophobicContact CD2-CG 4.32Å; W168-Y175 AromaticContact CE3-CD1 3.64Å; W168-Y175 HydrophobicContact CE3-CD1 3.64Å; W168-Y175 HydrophobicContact CE3-CD2 4.42Å; W168-Y175 AromaticContact CE3-CE1 3.97Å; W168-Y175 HydrophobicContact CE3-CE1 3.97Å; W168-Y175 AromaticContact CE3-CG 3.9Å; W168-Y175 HydrophobicContact CE3-CG 3.9Å; W168-Y175 AromaticContact CG-CD1 3.78Å; W168-Y175 HydrophobicContact CG-CD1 3.78Å; W168-Y175 AromaticContact CG-CE1 3.67Å; W168-Y175 HydrophobicContact CG-CE1 3.67Å; W168-Y175 HydrophobicContact CZ3-CD1 4.41Å; W168-Y175 HydrophobicContact CZ3-CG 4.3Å; W168-E179 VanDerWaalsContact CE2-OE1 3.25Å; W168-E179 VanDerWaalsContact CZ2-CD 3.42Å; W168-E179 VanDerWaalsContact CZ2-OE1 3.22Å; W168-E179 WeakPolarHBondContact CZ2-OE1 3.43Å; W168-E179 WeakPolarHBondContact CZ2-OE2 3.38Å; W168-E179 PolarHBondContact NE1-OE1 3.04Å |
| 169 | A | 56.8 | Low | 63.5 | Low | 85 Ų | 85 | 114.3 Ų | 114.3 | 70% | 0.702 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 65.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P166 | P166-A169 VanDerWaalsContact O-CB 3.24Å; P166-A169 WeakPolarHBondContact O-CB 3.49Å; P166-A169 PolarHBondContact O-N 2.96Å |
| 170 | G | 63.9 | Low | 65.7 | Low | 83 Ų | 83 | 110 Ų | 110 | 86% | 0.856 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 145.5 | 2.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | W168 | W168-G170 PolarHBondContact O-N 3.21Š|
| 171 | S | 66.8 | Low | 68.3 | Low | 53 Ų | 53 | 107.6 Ų | 107.6 | 37% | 0.371 | 60% | 0.602 | S | S | . | * | trans | -118.6 | 127.7 | -179.9 | 48.6 | 0 | 0 | 0 | 0 | 111.4 | R173 | S171-R173 PolarHBondContact O-N 2.91Š| ||
| 172 | E | 62.1 | Low | 70.3 | Confident | 211 Ų | 211 | 107.6 Ų | 107.6 | 99% | 0.986 | 60% | 0.595 | S | S | * | * | trans | -78.8 | 37.8 | 176.1 | -59.3 | -171.1 | 144.7 | 0 | 0 | 112.3 | ||||
| 173 | R | 75.5 | Confident | 72.6 | Confident | 188 Ų | 188 | 108.7 Ų | 108.7 | 71% | 0.709 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -92 | 143.2 | -178.6 | -171.2 | 177 | -171.7 | 175.5 | 3.2 | 110.1 | W168 S171 Y175 | W168-R173 HydrophobicContact CE3-CB 4.39Å; W168-R173 HydrophobicContact CH2-CB 4.4Å; W168-R173 HydrophobicContact CH2-CG 4.13Å; W168-R173 HydrophobicContact CZ3-CB 3.67Å; W168-R173 HydrophobicContact CZ3-CG 3.84Å; W168-R173 WeakPolarHBondContact CZ3-O 3.45Å; S171-R173 PolarHBondContact O-N 2.91Å; R173-Y175 PolarHBondContact O-N 3.37Å |
| 174 | D | 77.3 | Confident | 74.4 | Confident | 150 Ų | 150 | 103.1 Ų | 103.1 | 80% | 0.802 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 123.2 | 170.3 | -67.6 | -53.4 | 0 | 0 | 0 | 111 | W168 | W168-D174 WeakPolarHBondContact CH2-O 3.3Å; W168-D174 WeakPolarHBondContact CZ3-O 3.37Å |
| 175 | Y | 79.1 | Confident | 76.2 | Confident | 108 Ų | 108 | 100 Ų | 100 | 42% | 0.424 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 137.5 | 179.7 | -63.1 | -102.4 | 0 | 0 | 0 | 111.2 | W168 R173 L180 | W168-Y175 HydrophobicContact CB-CD1 4.1Å; W168-Y175 HydrophobicContact CB-CE1 3.45Å; W168-Y175 VanDerWaalsContact CB-CE1 3.45Å; W168-Y175 AromaticContact CD2-CD1 3.63Å; W168-Y175 HydrophobicContact CD2-CD1 3.63Å; W168-Y175 AromaticContact CD2-CE1 3.92Å; W168-Y175 HydrophobicContact CD2-CE1 3.92Å; W168-Y175 HydrophobicContact CD2-CG 4.32Å; W168-Y175 AromaticContact CE3-CD1 3.64Å; W168-Y175 HydrophobicContact CE3-CD1 3.64Å; W168-Y175 HydrophobicContact CE3-CD2 4.42Å; W168-Y175 AromaticContact CE3-CE1 3.97Å; W168-Y175 HydrophobicContact CE3-CE1 3.97Å; W168-Y175 AromaticContact CE3-CG 3.9Å; W168-Y175 HydrophobicContact CE3-CG 3.9Å; W168-Y175 AromaticContact CG-CD1 3.78Å; W168-Y175 HydrophobicContact CG-CD1 3.78Å; W168-Y175 AromaticContact CG-CE1 3.67Å; W168-Y175 HydrophobicContact CG-CE1 3.67Å; W168-Y175 HydrophobicContact CZ3-CD1 4.41Å; W168-Y175 HydrophobicContact CZ3-CG 4.3Å; R173-Y175 PolarHBondContact O-N 3.37Å; Y175-L180 VanDerWaalsContact CB-CD1 3.46Å; Y175-L180 HydrophobicContact CG-CD1 4.48Å |
| 176 | T | 86.7 | Confident | 77.4 | Confident | 72 Ų | 72 | 102.4 Ų | 102.4 | 44% | 0.442 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 150.1 | 173.7 | 77.1 | 0 | 0 | 0 | 0 | 111.7 | D178 E179 L180 | T176-D178 VanDerWaalsContact C-N 3.26Å; T176-D178 PolarHBondContact O-N 3.48Å; T176-E179 WeakPolarHBondContact CB-OE2 3.03Å; T176-E179 WeakPolarHBondContact CG2-OE2 3.38Å; T176-E179 PolarHBondContact N-OE2 3.49Å; T176-E179 PolarHBondContact O-N 3.1Å; T176-E179 WeakPolarHBondContact OG1-CG 3.46Å; T176-E179 PolarHBondContact OG1-OE2 2.97Å; T176-L180 VanDerWaalsContact O-CD1 3.23Å; T176-L180 WeakPolarHBondContact O-CD1 3.38Å; T176-L180 PolarHBondContact O-N 2.91Å |
| 177 | Y | 89.7 | Confident | 78.4 | Confident | 172 Ų | 172 | 101.1 Ų | 101.1 | 68% | 0.675 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -51.3 | -44.3 | -175.9 | 173.6 | -99.5 | 0 | 0 | 0 | 113.1 | E179 L180 L181 | Y177-E179 PolarHBondContact O-N 3.44Å; Y177-L180 PolarHBondContact O-N 2.9Å; Y177-L181 HydrophobicContact CE1-CD1 3.7Å; Y177-L181 VanDerWaalsContact O-CB 3.29Å; Y177-L181 WeakPolarHBondContact O-CB 3.4Å; Y177-L181 PolarHBondContact O-N 3.43Å |
| 178 | D | 88.1 | Confident | 79.4 | Confident | 97 Ų | 97 | 101.3 Ų | 101.3 | 52% | 0.519 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67 | -24.5 | -177.8 | -60 | -51.7 | 0 | 0 | 0 | 112.8 | T176 N182 | T176-D178 VanDerWaalsContact C-N 3.26Å; T176-D178 PolarHBondContact O-N 3.48Å; D178-N182 VanDerWaalsContact O-CB 3.29Å; D178-N182 WeakPolarHBondContact O-CB 3.43Å; D178-N182 PolarHBondContact O-N 3.3Å; D178-N182 PolarHBondContact O-ND2 2.95Å |
| 179 | E | 86.8 | Confident | 80.3 | Confident | 68 Ų | 68 | 105.3 Ų | 105.3 | 32% | 0.318 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -83.3 | -36.8 | 177.6 | -66.3 | 170.4 | 112 | 0 | 0 | 112.2 | W168 T176 Y177 L181 R183 | W168-E179 VanDerWaalsContact CE2-OE1 3.25Å; W168-E179 VanDerWaalsContact CZ2-CD 3.42Å; W168-E179 VanDerWaalsContact CZ2-OE1 3.22Å; W168-E179 WeakPolarHBondContact CZ2-OE1 3.43Å; W168-E179 WeakPolarHBondContact CZ2-OE2 3.38Å; W168-E179 PolarHBondContact NE1-OE1 3.04Å; T176-E179 WeakPolarHBondContact CB-OE2 3.03Å; T176-E179 WeakPolarHBondContact CG2-OE2 3.38Å; T176-E179 PolarHBondContact N-OE2 3.49Å; T176-E179 PolarHBondContact O-N 3.1Å; T176-E179 WeakPolarHBondContact OG1-CG 3.46Å; T176-E179 PolarHBondContact OG1-OE2 2.97Å; Y177-E179 PolarHBondContact O-N 3.44Å; E179-L181 VanDerWaalsContact C-N 3.3Å; E179-R183 VanDerWaalsContact O-CB 3.24Å; E179-R183 WeakPolarHBondContact O-CB 3.45Å; E179-R183 PolarHBondContact O-N 3.2Å |
| 180 | L | 89.2 | Confident | 81.3 | Confident | 90 Ų | 90 | 107.1 Ų | 107.1 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 165.1 | -72.7 | 98.1 | 0 | 0 | 0 | 110.4 | Y175 T176 Y177 R183 V184 | Y175-L180 VanDerWaalsContact CB-CD1 3.46Å; Y175-L180 HydrophobicContact CG-CD1 4.48Å; T176-L180 VanDerWaalsContact O-CD1 3.23Å; T176-L180 WeakPolarHBondContact O-CD1 3.38Å; T176-L180 PolarHBondContact O-N 2.91Å; Y177-L180 PolarHBondContact O-N 2.9Å; L180-R183 PolarHBondContact O-N 2.89Å; L180-V184 WeakPolarHBondContact O-CG2 3.33Å; L180-V184 PolarHBondContact O-N 3.24Å |
| 181 | L | 90.7 | Very high | 81.7 | Confident | 52 Ų | 52 | 110.6 Ų | 110.6 | 27% | 0.272 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | -179.8 | 175.8 | 145.2 | 0 | 0 | 0 | 111.6 | Y177 E179 R183 V184 F185 | Y177-L181 HydrophobicContact CE1-CD1 3.7Å; Y177-L181 VanDerWaalsContact O-CB 3.29Å; Y177-L181 WeakPolarHBondContact O-CB 3.4Å; Y177-L181 PolarHBondContact O-N 3.43Å; E179-L181 VanDerWaalsContact C-N 3.3Å; L181-R183 PolarHBondContact O-N 3.48Å; L181-V184 PolarHBondContact O-N 3.44Å; L181-F185 HydrophobicContact CD1-CE2 4.23Å; L181-F185 HydrophobicContact CD2-CD2 3.69Å; L181-F185 HydrophobicContact CD2-CE2 3.71Å; L181-F185 HydrophobicContact CG-CD2 3.88Å; L181-F185 HydrophobicContact CG-CE2 3.7Å; L181-F185 VanDerWaalsContact O-CD2 3.26Å; L181-F185 WeakPolarHBondContact O-CD2 3.26Å; L181-F185 PolarHBondContact O-N 3.09Å |
| 182 | N | 87.9 | Confident | 81.8 | Confident | 89 Ų | 89 | 110.1 Ų | 110.1 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 175.2 | -84.7 | -56 | 0 | 0 | 0 | 112.1 | D178 V184 F185 Q186 | D178-N182 VanDerWaalsContact O-CB 3.29Å; D178-N182 WeakPolarHBondContact O-CB 3.43Å; D178-N182 PolarHBondContact O-N 3.3Å; D178-N182 PolarHBondContact O-ND2 2.95Å; N182-V184 PolarHBondContact O-N 2.93Å; N182-F185 PolarHBondContact O-N 3.46Å; N182-Q186 WeakPolarHBondContact O-CB 3.46Å; N182-Q186 PolarHBondContact O-N 2.96Å |
| 183 | R | 86.9 | Confident | 82.2 | Confident | 130 Ų | 130 | 103.9 Ų | 103.9 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 174.6 | -174.4 | 178.6 | -176.9 | 176.3 | 2.3 | 112.1 | E179 L180 L181 Q186 I187 | E179-R183 VanDerWaalsContact O-CB 3.24Å; E179-R183 WeakPolarHBondContact O-CB 3.45Å; E179-R183 PolarHBondContact O-N 3.2Å; L180-R183 PolarHBondContact O-N 2.89Å; L181-R183 PolarHBondContact O-N 3.48Å; R183-Q186 PolarHBondContact O-N 2.85Å; R183-I187 HydrophobicContact CG-CD1 4.09Å; R183-I187 WeakPolarHBondContact O-CD1 3.42Å; R183-I187 VanDerWaalsContact O-CG1 3.27Å; R183-I187 WeakPolarHBondContact O-CG1 3.38Å; R183-I187 PolarHBondContact O-N 2.7Å |
| 184 | V | 87.6 | Confident | 81.5 | Confident | 78 Ų | 78 | 99.3 Ų | 99.3 | 47% | 0.473 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 174.7 | 168 | 0 | 0 | 0 | 0 | 110.8 | L180 L181 N182 Q186 I187 M188 | L180-V184 WeakPolarHBondContact O-CG2 3.33Å; L180-V184 PolarHBondContact O-N 3.24Å; L181-V184 PolarHBondContact O-N 3.44Å; N182-V184 PolarHBondContact O-N 2.93Å; V184-Q186 VanDerWaalsContact C-N 3.3Å; V184-Q186 PolarHBondContact O-N 2.92Å; V184-I187 PolarHBondContact O-N 3.38Å; V184-M188 HydrophobicContact CG1-CG 4.42Å; V184-M188 HydrophobicContact CG1-SD 4.06Å; V184-M188 VanDerWaalsContact O-CG 3.31Å; V184-M188 WeakPolarHBondContact O-CG 3.39Å; V184-M188 PolarHBondContact O-N 2.82Å |
| 185 | F | 84.4 | Confident | 80.6 | Confident | 100 Ų | 100 | 96.8 Ų | 96.8 | 44% | 0.439 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.2 | -33 | 176.9 | -80.2 | -60.5 | 0 | 0 | 0 | 113.1 | L181 N182 M188 R189 | L181-F185 HydrophobicContact CD1-CE2 4.23Å; L181-F185 HydrophobicContact CD2-CD2 3.69Å; L181-F185 HydrophobicContact CD2-CE2 3.71Å; L181-F185 HydrophobicContact CG-CD2 3.88Å; L181-F185 HydrophobicContact CG-CE2 3.7Å; L181-F185 VanDerWaalsContact O-CD2 3.26Å; L181-F185 WeakPolarHBondContact O-CD2 3.26Å; L181-F185 PolarHBondContact O-N 3.09Å; N182-F185 PolarHBondContact O-N 3.46Å; F185-M188 HydrophobicContact CD1-SD 4.42Å; F185-M188 PolarHBondContact O-N 3.02Å; F185-R189 WeakPolarHBondContact O-CG 3.45Å; F185-R189 PolarHBondContact O-N 2.84Å |
| 186 | Q | 84.7 | Confident | 79.7 | Confident | 102 Ų | 102 | 94.9 Ų | 94.9 | 48% | 0.477 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.1 | -48.9 | 171.7 | -179.2 | 166.6 | -3.5 | 0 | 0 | 111.6 | N182 R183 V184 M188 R189 E190 | N182-Q186 WeakPolarHBondContact O-CB 3.46Å; N182-Q186 PolarHBondContact O-N 2.96Å; R183-Q186 PolarHBondContact O-N 2.85Å; V184-Q186 VanDerWaalsContact C-N 3.3Å; V184-Q186 PolarHBondContact O-N 2.92Å; Q186-M188 VanDerWaalsContact C-N 3.25Å; Q186-M188 PolarHBondContact O-N 3.4Å; Q186-R189 WeakPolarHBondContact O-CB 3.43Å; Q186-R189 PolarHBondContact O-N 2.83Å; Q186-R189 VanDerWaalsContact O-N 3.1Å; Q186-E190 VanDerWaalsContact CG-OE1 3.24Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.14Å; Q186-E190 PolarHBondContact NE2-OE1 2.96Å; Q186-E190 WeakPolarHBondContact O-CG 3.46Å; Q186-E190 PolarHBondContact O-N 3.14Å |
| 187 | I | 84.6 | Confident | 78.5 | Confident | 61 Ų | 61 | 95 Ų | 95 | 31% | 0.313 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.9 | -33.8 | 175 | -68 | 164.5 | 0 | 0 | 0 | 111.7 | R183 V184 K191 | R183-I187 HydrophobicContact CG-CD1 4.09Å; R183-I187 WeakPolarHBondContact O-CD1 3.42Å; R183-I187 VanDerWaalsContact O-CG1 3.27Å; R183-I187 WeakPolarHBondContact O-CG1 3.38Å; R183-I187 PolarHBondContact O-N 2.7Å; V184-I187 PolarHBondContact O-N 3.38Å; I187-K191 HydrophobicContact CG2-CD 3.86Å; I187-K191 HydrophobicContact CG2-CG 4.48Å; I187-K191 WeakPolarHBondContact O-CB 3.36Å; I187-K191 WeakPolarHBondContact O-CG 3.26Å; I187-K191 PolarHBondContact O-N 3.42Å |
| 188 | M | 78.9 | Confident | 76.8 | Confident | 99 Ų | 99 | 89.5 Ų | 89.5 | 49% | 0.488 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.7 | -39.6 | 174.3 | -71.5 | -178.9 | 77.4 | 0 | 0 | 112.4 | V184 F185 Q186 N192 | V184-M188 HydrophobicContact CG1-CG 4.42Å; V184-M188 HydrophobicContact CG1-SD 4.06Å; V184-M188 VanDerWaalsContact O-CG 3.31Å; V184-M188 WeakPolarHBondContact O-CG 3.39Å; V184-M188 PolarHBondContact O-N 2.82Å; F185-M188 HydrophobicContact CD1-SD 4.42Å; F185-M188 PolarHBondContact O-N 3.02Å; Q186-M188 VanDerWaalsContact C-N 3.25Å; Q186-M188 PolarHBondContact O-N 3.4Å; M188-N192 PolarHBondContact O-N 3.13Å |
| 189 | R | 78.9 | Confident | 75.2 | Confident | 123 Ų | 123 | 91.6 Ų | 91.6 | 46% | 0.464 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 172.3 | -78.6 | -177.4 | -70.9 | -116.2 | 2.1 | 111.9 | F185 Q186 P193 V196 | F185-R189 WeakPolarHBondContact O-CG 3.45Å; F185-R189 PolarHBondContact O-N 2.84Å; Q186-R189 WeakPolarHBondContact O-CB 3.43Å; Q186-R189 PolarHBondContact O-N 2.83Å; Q186-R189 VanDerWaalsContact O-N 3.1Å; R189-P193 WeakPolarHBondContact O-CA 3.49Å; R189-P193 WeakPolarHBondContact O-CD 3.44Å; R189-V196 HydrophobicContact CG-CB 3.93Å; R189-V196 HydrophobicContact CG-CG1 3.65Å; R189-V196 HydrophobicContact CG-CG2 3.87Å |
| 190 | E | 77.9 | Confident | 73.9 | Confident | 123 Ų | 123 | 97.6 Ų | 97.6 | 58% | 0.575 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.1 | -40.1 | 179.7 | -72.1 | 165.6 | -173.4 | 0 | 0 | 112.4 | Q186 | Q186-E190 VanDerWaalsContact CG-OE1 3.24Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.14Å; Q186-E190 PolarHBondContact NE2-OE1 2.96Å; Q186-E190 WeakPolarHBondContact O-CG 3.46Å; Q186-E190 PolarHBondContact O-N 3.14Å |
| 191 | K | 72.8 | Confident | 72.4 | Confident | 156 Ų | 156 | 101.8 Ų | 101.8 | 68% | 0.678 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -88.1 | -25.1 | -177 | -68.3 | 179 | 179.7 | 176.4 | 0 | 114.7 | I187 | I187-K191 HydrophobicContact CG2-CD 3.86Å; I187-K191 HydrophobicContact CG2-CG 4.48Å; I187-K191 WeakPolarHBondContact O-CB 3.36Å; I187-K191 WeakPolarHBondContact O-CG 3.26Å; I187-K191 PolarHBondContact O-N 3.42Å |
| 192 | N | 68.9 | Low | 70.9 | Confident | 43 Ų | 43 | 108.3 Ų | 108.3 | 23% | 0.23 | 53% | 0.533 | C | S | . | . | trans | -145.4 | 67.9 | -177.2 | -71.2 | -88.1 | 0 | 0 | 0 | 111.5 | M188 D194 M195 V196 T305 | M188-N192 PolarHBondContact O-N 3.13Å; N192-D194 VanDerWaalsContact C-N 3.34Å; N192-D194 PolarHBondContact O-N 3.15Å; N192-M195 HydrophobicContact CB-CB 3.99Å; N192-M195 HydrophobicContact CB-CG 4.08Å; N192-M195 PolarHBondContact O-N 3.47Å; N192-V196 PolarHBondContact O-N 3.06Å; N192-T305 WeakPolarHBondContact OD1-CA 3.48Å; N192-T305 VanDerWaalsContact OD1-CB 3.3Å; N192-T305 WeakPolarHBondContact OD1-CB 3.24Å; N192-T305 WeakPolarHBondContact OD1-CG2 3.31Å | ||
| 193 | P | 69.3 | Low | 69.8 | Low | 81 Ų | 81 | 108 Ų | 108 | 53% | 0.526 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57.6 | -42.2 | -177.3 | 21.5 | -32.8 | 0 | 0 | 0 | 112.9 | R189 M195 V196 A197 | R189-P193 WeakPolarHBondContact O-CA 3.49Å; R189-P193 WeakPolarHBondContact O-CD 3.44Å; P193-M195 PolarHBondContact O-N 3.34Å; P193-V196 PolarHBondContact O-N 2.98Å; P193-V196 VanDerWaalsContact O-N 3.12Å; P193-A197 PolarHBondContact O-N 3.21Å; P193-A197 VanDerWaalsContact O-N 3.1Å |
| 194 | D | 60.3 | Low | 68.8 | Low | 92 Ų | 92 | 108.4 Ų | 108.4 | 49% | 0.492 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.6 | -18.6 | 176.7 | -79.2 | -74.8 | 0 | 0 | 0 | 114.5 | N192 R201 | N192-D194 VanDerWaalsContact C-N 3.34Å; N192-D194 PolarHBondContact O-N 3.15Å; D194-R201 IonicContact OD1-CZ 3.01Å; D194-R201 VanDerWaalsContact OD1-CZ 3.29Å; D194-R201 IonicContact OD1-NE 2.6Å; D194-R201 PolarHBondContact OD1-NE 3.21Å; D194-R201 IonicContact OD1-NH2 2.67Å; D194-R201 PolarHBondContact OD1-NH2 3.31Å |
| 195 | M | 59.7 | Low | 68.1 | Low | 97 Ų | 97 | 106.6 Ų | 106.6 | 48% | 0.478 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -82.7 | -27.8 | 173.2 | -72.2 | -144 | 71.3 | 0 | 0 | 113 | N192 P193 C285 | N192-M195 HydrophobicContact CB-CB 3.99Å; N192-M195 HydrophobicContact CB-CG 4.08Å; N192-M195 PolarHBondContact O-N 3.47Å; P193-M195 PolarHBondContact O-N 3.34Å; M195-C285 HydrophobicContact CE-CB 3.99Å; M195-C285 HydrophobicContact SD-CB 4.27Å |
| 196 | V | 59.7 | Low | 67.7 | Low | 67 Ų | 67 | 106.5 Ų | 106.5 | 41% | 0.406 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -90.4 | -23.5 | -178.4 | -172.3 | 0 | 0 | 0 | 0 | 112.1 | R189 N192 P193 G198 | R189-V196 HydrophobicContact CG-CB 3.93Å; R189-V196 HydrophobicContact CG-CG1 3.65Å; R189-V196 HydrophobicContact CG-CG2 3.87Å; N192-V196 PolarHBondContact O-N 3.06Å; P193-V196 PolarHBondContact O-N 2.98Å; P193-V196 VanDerWaalsContact O-N 3.12Å; V196-G198 PolarHBondContact O-N 3.47Å |
| 197 | A | 61.2 | Low | 67.5 | Low | 75 Ų | 75 | 105.6 Ų | 105.6 | 62% | 0.62 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -60.8 | -7.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | P193 E199 | P193-A197 PolarHBondContact O-N 3.21Å; P193-A197 VanDerWaalsContact O-N 3.1Å; A197-E199 PolarHBondContact O-N 3.43Å |
| 198 | G | 54.4 | Low | 67.5 | Low | 57 Ų | 57 | 103.2 Ų | 103.2 | 59% | 0.588 | 52% | 0.523 | S | S | * | . | trans | 73.2 | -31 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115 | V196 K200 | V196-G198 PolarHBondContact O-N 3.47Å; G198-K200 PolarHBondContact O-N 3.16Å | ||
| 199 | E | 54.6 | Low | 67.9 | Low | 140 Ų | 140 | 103.3 Ų | 103.3 | 65% | 0.654 | 52% | 0.522 | S | S | * | . | trans | -69.1 | 95.9 | 175 | -174.2 | 159.3 | -134.2 | 0 | 0 | 110.9 | A197 R201 | A197-E199 PolarHBondContact O-N 3.43Å; E199-R201 HydrophobicContact CG-CG 4.21Å; E199-R201 PolarHBondContact O-N 2.9Å | ||
| 200 | K | 58.2 | Low | 68.5 | Low | 195 Ų | 195 | 99.1 Ų | 99.1 | 85% | 0.848 | 51% | 0.51 | S | S | * | . | trans | -65.5 | 75.2 | 167.6 | -69.2 | 161.1 | -176.2 | 157.5 | 0 | 109.2 | G198 K202 | G198-K200 PolarHBondContact O-N 3.16Å; K200-K202 PolarHBondContact O-N 2.91Å | ||
| 201 | R | 57.7 | Low | 69.1 | Low | 177 Ų | 177 | 97 Ų | 97 | 67% | 0.668 | 51% | 0.505 | S | S | * | . | trans | -50.6 | 105.2 | -179 | -59.1 | -168.5 | -155.1 | -128.2 | 15.7 | 108.7 | D194 E199 F203 | D194-R201 IonicContact OD1-CZ 3.01Å; D194-R201 VanDerWaalsContact OD1-CZ 3.29Å; D194-R201 IonicContact OD1-NE 2.6Å; D194-R201 PolarHBondContact OD1-NE 3.21Å; D194-R201 IonicContact OD1-NH2 2.67Å; D194-R201 PolarHBondContact OD1-NH2 3.31Å; E199-R201 HydrophobicContact CG-CG 4.21Å; E199-R201 PolarHBondContact O-N 2.9Å; R201-F203 PolarHBondContact O-N 3.31Å | ||
| 202 | K | 59.9 | Low | 69.8 | Low | 189 Ų | 189 | 97.9 Ų | 97.9 | 82% | 0.822 | 50% | 0.504 | S | S | * | . | trans | -65.5 | 105.4 | 179.7 | -69.5 | 168.4 | -174.9 | 160 | 0 | 107.2 | K200 V204 | K200-K202 PolarHBondContact O-N 2.91Å; K202-V204 WeakPolarHBondContact O-CG2 3.2Å; K202-V204 PolarHBondContact O-N 3.46Å | ||
| 203 | F | 64.4 | Low | 70.7 | Confident | 82 Ų | 82 | 98.9 Ų | 98.9 | 36% | 0.36 | 51% | 0.512 | S | S | . | . | trans | -42.3 | 103.7 | -175.3 | -178 | -97.6 | 0 | 0 | 0 | 112.2 | R201 M205 L229 L230 P288 | R201-F203 PolarHBondContact O-N 3.31Å; F203-M205 VanDerWaalsContact C-N 3.29Å; F203-M205 HydrophobicContact CD1-CB 3.96Å; F203-M205 HydrophobicContact CE1-CB 3.85Å; F203-M205 HydrophobicContact CE1-CG 4.21Å; F203-M205 HydrophobicContact CE1-SD 4.3Å; F203-M205 PolarHBondContact O-N 3.48Å; F203-L229 HydrophobicContact CE1-CD2 3.76Å; F203-L229 HydrophobicContact CE1-CG 4.44Å; F203-L229 HydrophobicContact CZ-CD2 3.6Å; F203-L229 HydrophobicContact CZ-CG 3.77Å; F203-L230 HydrophobicContact CD1-CD2 4.45Å; F203-L230 HydrophobicContact CE1-CD2 3.5Å; F203-L230 HydrophobicContact CZ-CD2 3.69Å; F203-P288 HydrophobicContact CD2-CB 4.11Å; F203-P288 HydrophobicContact CD2-CG 4.1Å; F203-P288 HydrophobicContact CE2-CB 4.41Å | ||
| 204 | V | 65.9 | Low | 71.6 | Confident | 140 Ų | 140 | 97.9 Ų | 97.9 | 85% | 0.848 | 52% | 0.516 | S | S | * | . | trans | -82.7 | 76.9 | -170.7 | -172.4 | 0 | 0 | 0 | 0 | 109.3 | K202 | K202-V204 WeakPolarHBondContact O-CG2 3.2Å; K202-V204 PolarHBondContact O-N 3.46Å | ||
| 205 | M | 72.8 | Confident | 72.8 | Confident | 40 Ų | 40 | 98.1 Ų | 98.1 | 20% | 0.197 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 130.8 | -179.6 | -172.9 | 165.7 | 126.3 | 0 | 0 | 111.9 | F203 I226 L229 L230 L272 I276 | F203-M205 VanDerWaalsContact C-N 3.29Å; F203-M205 HydrophobicContact CD1-CB 3.96Å; F203-M205 HydrophobicContact CE1-CB 3.85Å; F203-M205 HydrophobicContact CE1-CG 4.21Å; F203-M205 HydrophobicContact CE1-SD 4.3Å; F203-M205 PolarHBondContact O-N 3.48Å; M205-I226 HydrophobicContact CE-CB 4.47Å; M205-I226 HydrophobicContact CE-CD1 3.88Å; M205-I226 HydrophobicContact CE-CG1 4.04Å; M205-I226 HydrophobicContact CE-CG2 3.6Å; M205-I226 HydrophobicContact SD-CG2 4.05Å; M205-L229 HydrophobicContact CB-CD2 4.28Å; M205-L229 HydrophobicContact CG-CD2 3.83Å; M205-L230 HydrophobicContact SD-CD1 4.46Å; M205-L230 HydrophobicContact SD-CD2 4.44Å; M205-L272 HydrophobicContact CE-CB 4.44Å; M205-L272 HydrophobicContact CE-CD1 3.93Å; M205-I276 HydrophobicContact SD-CD1 3.8Å |
| 206 | K | 76.3 | Confident | 74.2 | Confident | 97 Ų | 97 | 101.4 Ų | 101.4 | 42% | 0.422 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -49.3 | 126.6 | 171 | -176.5 | 179.3 | 178.2 | -176.5 | 0 | 109.7 | N222 D225 | K206-N222 WeakPolarHBondContact CE-ND2 3.43Å; K206-D225 IonicContact NZ-OD2 2.7Å; K206-D225 PolarHBondContact NZ-OD2 2.92Å |
| 207 | P | 81.5 | Confident | 75.7 | Confident | 83 Ų | 83 | 103.4 Ų | 103.4 | 54% | 0.539 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 136.8 | -172.6 | 22.3 | -32.8 | 0 | 0 | 0 | 111.6 | Q209 | P207-Q209 PolarHBondContact O-N 3.21Å; P207-Q209 VanDerWaalsContact O-N 3.13Å |
| 208 | P | 84.9 | Confident | 77.2 | Confident | 11 Ų | 11 | 99.9 Ų | 99.9 | 7% | 0.071 | 51% | 0.507 | C | S | . | . | trans | -72.6 | 109.5 | -174.3 | 27.5 | -33.7 | 0 | 0 | 0 | 110.7 | V210 F220 I226 Q265 E269 L272 | P208-V210 PolarHBondContact O-N 3.37Å; P208-F220 HydrophobicContact CB-CD2 4.43Å; P208-F220 HydrophobicContact CB-CE2 3.45Å; P208-F220 VanDerWaalsContact CB-CE2 3.45Å; P208-F220 HydrophobicContact CB-CZ 3.79Å; P208-I226 HydrophobicContact CB-CD1 4.29Å; P208-Q265 HydrophobicContact CG-CG 4.49Å; P208-Q265 VanDerWaalsContact O-CG 3.29Å; P208-Q265 WeakPolarHBondContact O-CG 3.36Å; P208-Q265 PolarHBondContact O-NE2 3.41Å; P208-E269 HydrophobicContact CG-CB 4.45Å; P208-L272 HydrophobicContact CB-CD1 3.95Å; P208-L272 HydrophobicContact CG-CD1 4.2Å | ||
| 209 | Q | 87.5 | Confident | 79 | Confident | 101 Ų | 101 | 97.2 Ų | 97.2 | 47% | 0.472 | 48% | 0.479 | S | S | . | . | trans | -84.3 | 112.6 | 179.8 | -74.8 | 171.2 | -34.8 | 0 | 0 | 111 | P207 V221 N222 | P207-Q209 PolarHBondContact O-N 3.21Å; P207-Q209 VanDerWaalsContact O-N 3.13Å; Q209-V221 PolarHBondContact O-N 3.08Å; Q209-N222 PolarHBondContact OE1-ND2 2.83Å; Q209-N222 PolarHBondContact OE1-OD1 3.21Å | ||
| 210 | V | 89.9 | Confident | 80.8 | Confident | 35 Ų | 35 | 90.7 Ų | 90.7 | 21% | 0.212 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 112.5 | -178.2 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | P208 S219 F220 I268 | P208-V210 PolarHBondContact O-N 3.37Å; V210-S219 CarbonylContact C-O 3.48Å; V210-S219 WeakPolarHBondContact CA-O 3.48Å; V210-F220 HydrophobicContact CG2-CD2 4.24Å; V210-I268 HydrophobicContact CG2-CB 4.28Å; V210-I268 HydrophobicContact CG2-CG1 4Å; V210-I268 HydrophobicContact CG2-CG2 4.46Å |
| 211 | V | 90.3 | Very high | 82.3 | Confident | 78 Ų | 78 | 83.5 Ų | 83.5 | 47% | 0.473 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 144.2 | -178.5 | 179.2 | 0 | 0 | 0 | 0 | 109.5 | S218 S219 V221 | V211-S218 CarbonylContact O-C 3.33Å; V211-S219 PolarHBondContact N-O 3.27Å; V211-S219 PolarHBondContact O-N 2.85Å; V211-V221 HydrophobicContact CB-CG2 4.36Å; V211-V221 HydrophobicContact CG2-CG2 3.73Å |
| 212 | R | 88.7 | Confident | 83.8 | Confident | 175 Ų | 175 | 75.6 Ų | 75.6 | 66% | 0.66 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 120.3 | 177.9 | -63.4 | -174 | -175.7 | 108 | 3 | 110.1 | G214 | R212-G214 PolarHBondContact O-N 3.39Å |
| 213 | V | 87.8 | Confident | 85.3 | Confident | 65 Ų | 65 | 66.6 Ų | 66.6 | 39% | 0.394 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 83.8 | 178.1 | 179.4 | 0 | 0 | 0 | 0 | 108.2 | K217 | V213-K217 HydrophobicContact CB-CB 4.3Å; V213-K217 PolarHBondContact N-O 3.18Å; V213-K217 WeakPolarHBondContact O-CB 3.42Å |
| 214 | G | 87.4 | Confident | 86.5 | Confident | 60 Ų | 60 | 63.8 Ų | 63.8 | 62% | 0.619 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | -156.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R212 | R212-G214 PolarHBondContact O-N 3.39Š|
| 215 | T | 87.1 | Confident | 87.7 | Confident | 96 Ų | 96 | 60 Ų | 60 | 59% | 0.589 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -11.5 | -163.7 | 58.6 | 0 | 0 | 0 | 0 | 115.7 | R262 | T215-R262 PolarHBondContact O-NE 3.01Å; T215-R262 PolarHBondContact O-NH2 3.02Å |
| 216 | K | 88.4 | Confident | 88.5 | Confident | 166 Ų | 166 | 58.2 Ų | 58.2 | 72% | 0.722 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.8 | 5.3 | -172.3 | -64 | -179 | -176.5 | 173.7 | 0 | 114.9 | G261 | K216-G261 CarbonylContact C-O 3.59Å; K216-G261 PolarHBondContact O-N 2.83Å |
| 217 | K | 91.9 | Very high | 89.2 | Confident | 109 Ų | 109 | 53.7 Ų | 53.7 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 150.2 | 174.8 | -50.2 | 175.9 | -175.5 | 175.6 | 0 | 110 | V213 I258 I259 G261 | V213-K217 HydrophobicContact CB-CB 4.3Å; V213-K217 PolarHBondContact N-O 3.18Å; V213-K217 WeakPolarHBondContact O-CB 3.42Å; K217-I258 HydrophobicContact CB-CG2 4.21Å; K217-I258 HydrophobicContact CD-CG2 3.99Å; K217-I259 WeakPolarHBondContact CA-O 3.28Å; K217-G261 CarbonylContact C-O 3.55Å |
| 218 | S | 91.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.014 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 130.7 | 169.9 | -52 | 0 | 0 | 0 | 0 | 108 | V211 I259 G261 F263 | V211-S218 CarbonylContact O-C 3.33Å; S218-I259 PolarHBondContact N-O 2.85Å; S218-I259 PolarHBondContact O-N 3.26Å; S218-G261 PolarHBondContact N-O 3.18Å; S218-G261 PolarHBondContact OG-O 2.82Å; S218-F263 PolarHBondContact OG-N 3.27Å; S218-F263 VanDerWaalsContact OG-N 3.14Å |
| 219 | S | 91.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 139.6 | 171.2 | -170.4 | 0 | 0 | 0 | 0 | 110.1 | V210 V211 Q256 L257 | V210-S219 CarbonylContact C-O 3.48Å; V210-S219 WeakPolarHBondContact CA-O 3.48Å; V211-S219 PolarHBondContact N-O 3.27Å; V211-S219 PolarHBondContact O-N 2.85Å; S219-Q256 WeakPolarHBondContact OG-CB 3.48Å; S219-Q256 PolarHBondContact OG-OE1 3.25Å; S219-L257 CarbonylContact C-O 3.55Å; S219-L257 WeakPolarHBondContact CA-O 3.48Å |
| 220 | F | 92.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 107.2 | 171.3 | 177.1 | -155.6 | 0 | 0 | 0 | 107.9 | P208 V210 F223 I226 L241 Q256 L257 I268 L272 | P208-F220 HydrophobicContact CB-CD2 4.43Å; P208-F220 HydrophobicContact CB-CE2 3.45Å; P208-F220 VanDerWaalsContact CB-CE2 3.45Å; P208-F220 HydrophobicContact CB-CZ 3.79Å; V210-F220 HydrophobicContact CG2-CD2 4.24Å; F220-F223 HydrophobicContact CD1-CB 3.99Å; F220-F223 AromaticContact CD1-CD2 3.8Å; F220-F223 HydrophobicContact CD1-CD2 3.8Å; F220-F223 HydrophobicContact CD1-CG 4.37Å; F220-F223 HydrophobicContact CE1-CB 4.28Å; F220-F223 AromaticContact CE1-CD2 3.85Å; F220-F223 HydrophobicContact CE1-CD2 3.85Å; F220-F223 HydrophobicContact CG-CB 4.35Å; F220-I226 HydrophobicContact CE2-CD1 3.9Å; F220-I226 HydrophobicContact CZ-CD1 3.56Å; F220-L241 HydrophobicContact CD1-CD1 4.47Å; F220-L241 HydrophobicContact CE1-CD1 4.43Å; F220-Q256 WeakPolarHBondContact O-CA 3.46Å; F220-L257 HydrophobicContact CB-CB 4.29Å; F220-L257 PolarHBondContact N-O 3.48Å; F220-L257 PolarHBondContact O-N 3.49Å; F220-I268 HydrophobicContact CE1-CG2 4.36Å; F220-L272 HydrophobicContact CE1-CD1 4.38Å; F220-L272 HydrophobicContact CZ-CD1 4.02Å |
| 221 | V | 90.3 | Very high | 89.9 | Confident | 44 Ų | 44 | 61.3 Ų | 61.3 | 27% | 0.267 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -55 | -165.4 | -175 | 0 | 0 | 0 | 0 | 111.1 | Q209 V211 F223 Q256 | Q209-V221 PolarHBondContact O-N 3.08Å; V211-V221 HydrophobicContact CB-CG2 4.36Å; V211-V221 HydrophobicContact CG2-CG2 3.73Å; V221-F223 PolarHBondContact O-N 3.14Å; V221-Q256 HydrophobicContact CG1-CG 4.34Å |
| 222 | N | 89.1 | Confident | 90 | Very high | 11 Ų | 11 | 58.3 Ų | 58.3 | 6% | 0.059 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 27.2 | -173.3 | -58 | -21.1 | 0 | 0 | 0 | 113.6 | K206 Q209 D225 I226 | K206-N222 WeakPolarHBondContact CE-ND2 3.43Å; Q209-N222 PolarHBondContact OE1-ND2 2.83Å; Q209-N222 PolarHBondContact OE1-OD1 3.21Å; N222-D225 HydrophobicContact CB-CB 4.43Å; N222-D225 PolarHBondContact O-N 2.72Å; N222-I226 HydrophobicContact CB-CD1 4.14Å; N222-I226 WeakPolarHBondContact O-CD1 3.29Å; N222-I226 WeakPolarHBondContact O-CG1 3.47Å; N222-I226 PolarHBondContact O-N 3.06Å; N222-I226 VanDerWaalsContact O-N 3.14Å |
| 223 | F | 90.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.8 | -48.8 | -171.4 | 174.2 | -103 | 0 | 0 | 0 | 112.5 | F220 V221 I226 C227 P234 L237 L238 L241 I251 L257 | F220-F223 HydrophobicContact CD1-CB 3.99Å; F220-F223 AromaticContact CD1-CD2 3.8Å; F220-F223 HydrophobicContact CD1-CD2 3.8Å; F220-F223 HydrophobicContact CD1-CG 4.37Å; F220-F223 HydrophobicContact CE1-CB 4.28Å; F220-F223 AromaticContact CE1-CD2 3.85Å; F220-F223 HydrophobicContact CE1-CD2 3.85Å; F220-F223 HydrophobicContact CG-CB 4.35Å; V221-F223 PolarHBondContact O-N 3.14Å; F223-I226 PolarHBondContact O-N 3.2Å; F223-C227 PolarHBondContact O-N 2.95Å; F223-C227 VanDerWaalsContact O-N 3.09Å; F223-C227 PolarHBondContact O-SG 3.22Å; F223-P234 HydrophobicContact CE1-CB 3.75Å; F223-P234 HydrophobicContact CZ-CB 4.16Å; F223-L237 HydrophobicContact CD2-CD2 4.49Å; F223-L237 HydrophobicContact CE2-CD2 3.79Å; F223-L238 HydrophobicContact CZ-CB 4.08Å; F223-L241 HydrophobicContact CD2-CD1 4.33Å; F223-L241 HydrophobicContact CE2-CD1 3.97Å; F223-I251 HydrophobicContact CD1-CD1 4.45Å; F223-I251 HydrophobicContact CD1-CG1 4.34Å; F223-I251 HydrophobicContact CE1-CD1 3.65Å; F223-I251 HydrophobicContact CE1-CG1 3.87Å; F223-I251 HydrophobicContact CZ-CD1 4.39Å; F223-L257 HydrophobicContact CB-CB 3.96Å; F223-L257 HydrophobicContact CD1-CB 4.09Å; F223-L257 HydrophobicContact CD2-CB 3.94Å; F223-L257 HydrophobicContact CD2-CD2 3.67Å; F223-L257 HydrophobicContact CD2-CG 4.47Å; F223-L257 HydrophobicContact CE2-CB 4.5Å; F223-L257 HydrophobicContact CE2-CD2 3.6Å; F223-L257 HydrophobicContact CG-CB 3.71Å; F223-L257 HydrophobicContact CG-CD2 4.29Å; F223-L257 HydrophobicContact CZ-CD2 4.18Å |
| 224 | T | 90.7 | Very high | 90.3 | Very high | 24 Ų | 24 | 55.8 Ų | 55.8 | 15% | 0.147 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70 | -35.7 | 178.8 | 44.8 | 0 | 0 | 0 | 0 | 113.4 | I226 C227 K228 N255 | T224-I226 VanDerWaalsContact C-N 3.3Å; T224-I226 PolarHBondContact O-N 2.84Å; T224-C227 PolarHBondContact O-N 3.11Å; T224-K228 WeakPolarHBondContact O-CG 3.45Å; T224-K228 PolarHBondContact O-N 3.23Å; T224-N255 HydrophobicContact CG2-CB 3.72Å |
| 225 | D | 90.4 | Very high | 90.5 | Very high | 61 Ų | 61 | 60.8 Ų | 60.8 | 33% | 0.326 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.7 | -48.2 | 174.8 | -65.6 | 2.8 | 0 | 0 | 0 | 110.2 | K206 N222 C227 K228 L229 | K206-D225 IonicContact NZ-OD2 2.7Å; K206-D225 PolarHBondContact NZ-OD2 2.92Å; N222-D225 HydrophobicContact CB-CB 4.43Å; N222-D225 PolarHBondContact O-N 2.72Å; D225-C227 VanDerWaalsContact C-N 3.35Å; D225-C227 PolarHBondContact O-N 3.35Å; D225-K228 PolarHBondContact O-N 3.36Å; D225-L229 VanDerWaalsContact O-CB 3.26Å; D225-L229 WeakPolarHBondContact O-CB 3.45Å; D225-L229 PolarHBondContact O-N 3.05Å |
| 226 | I | 90.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68 | -35.2 | -179.4 | -71.4 | 163.1 | 0 | 0 | 0 | 111 | M205 P208 F220 N222 F223 T224 L230 | M205-I226 HydrophobicContact CE-CB 4.47Å; M205-I226 HydrophobicContact CE-CD1 3.88Å; M205-I226 HydrophobicContact CE-CG1 4.04Å; M205-I226 HydrophobicContact CE-CG2 3.6Å; M205-I226 HydrophobicContact SD-CG2 4.05Å; P208-I226 HydrophobicContact CB-CD1 4.29Å; F220-I226 HydrophobicContact CE2-CD1 3.9Å; F220-I226 HydrophobicContact CZ-CD1 3.56Å; N222-I226 HydrophobicContact CB-CD1 4.14Å; N222-I226 WeakPolarHBondContact O-CD1 3.29Å; N222-I226 WeakPolarHBondContact O-CG1 3.47Å; N222-I226 PolarHBondContact O-N 3.06Å; N222-I226 VanDerWaalsContact O-N 3.14Å; F223-I226 PolarHBondContact O-N 3.2Å; T224-I226 VanDerWaalsContact C-N 3.3Å; T224-I226 PolarHBondContact O-N 2.84Å; I226-L230 HydrophobicContact CG2-CD1 3.76Å; I226-L230 HydrophobicContact CG2-CG 4.46Å; I226-L230 WeakPolarHBondContact O-CB 3.38Å; I226-L230 WeakPolarHBondContact O-CD1 3.45Å; I226-L230 WeakPolarHBondContact O-CG 3.47Å; I226-L230 PolarHBondContact O-N 3.06Å; I226-L230 VanDerWaalsContact O-N 3.08Å |
| 227 | C | 90.7 | Very high | 91 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.02 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | 172.6 | -64.3 | 0 | 0 | 0 | 0 | 112.5 | F223 T224 D225 H231 R232 P234 | F223-C227 PolarHBondContact O-N 2.95Å; F223-C227 VanDerWaalsContact O-N 3.09Å; F223-C227 PolarHBondContact O-SG 3.22Å; T224-C227 PolarHBondContact O-N 3.11Å; D225-C227 VanDerWaalsContact C-N 3.35Å; D225-C227 PolarHBondContact O-N 3.35Å; C227-H231 PolarHBondContact O-N 2.98Å; C227-R232 PolarHBondContact O-N 2.95Å; C227-P234 HydrophobicContact CB-CB 4.27Å |
| 228 | K | 90.1 | Very high | 91 | Very high | 156 Ų | 156 | 45.3 Ų | 45.3 | 68% | 0.678 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -65 | -50.1 | 175.5 | -70.8 | 172.5 | 179 | -179.2 | 0 | 111.3 | T224 D225 L230 H231 | T224-K228 WeakPolarHBondContact O-CG 3.45Å; T224-K228 PolarHBondContact O-N 3.23Å; D225-K228 PolarHBondContact O-N 3.36Å; K228-L230 PolarHBondContact O-N 3.39Å; K228-H231 WeakPolarHBondContact O-CA 3.44Å; K228-H231 PolarHBondContact O-N 3.47Å |
| 229 | L | 89.6 | Confident | 91.1 | Very high | 74 Ų | 74 | 47.3 Ų | 47.3 | 39% | 0.387 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.6 | -32.3 | 179.6 | -169.6 | 93.4 | 0 | 0 | 0 | 113.1 | F203 M205 D225 | F203-L229 HydrophobicContact CE1-CD2 3.76Å; F203-L229 HydrophobicContact CE1-CG 4.44Å; F203-L229 HydrophobicContact CZ-CD2 3.6Å; F203-L229 HydrophobicContact CZ-CG 3.77Å; M205-L229 HydrophobicContact CB-CD2 4.28Å; M205-L229 HydrophobicContact CG-CD2 3.83Å; D225-L229 VanDerWaalsContact O-CB 3.26Å; D225-L229 WeakPolarHBondContact O-CB 3.45Å; D225-L229 PolarHBondContact O-N 3.05Å |
| 230 | L | 88.9 | Confident | 91.1 | Very high | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 1 | 176.1 | -64.2 | 170.1 | 0 | 0 | 0 | 113.1 | F203 M205 I226 K228 R232 L237 I276 V280 | F203-L230 HydrophobicContact CD1-CD2 4.45Å; F203-L230 HydrophobicContact CE1-CD2 3.5Å; F203-L230 HydrophobicContact CZ-CD2 3.69Å; M205-L230 HydrophobicContact SD-CD1 4.46Å; M205-L230 HydrophobicContact SD-CD2 4.44Å; I226-L230 HydrophobicContact CG2-CD1 3.76Å; I226-L230 HydrophobicContact CG2-CG 4.46Å; I226-L230 WeakPolarHBondContact O-CB 3.38Å; I226-L230 WeakPolarHBondContact O-CD1 3.45Å; I226-L230 WeakPolarHBondContact O-CG 3.47Å; I226-L230 PolarHBondContact O-N 3.06Å; I226-L230 VanDerWaalsContact O-N 3.08Å; K228-L230 PolarHBondContact O-N 3.39Å; L230-R232 VanDerWaalsContact C-N 3.31Å; L230-R232 HydrophobicContact CB-CG 4.19Å; L230-R232 WeakPolarHBondContact O-CG 3.5Å; L230-R232 PolarHBondContact O-N 3.17Å; L230-R232 PolarHBondContact O-NH1 3.1Å; L230-L237 HydrophobicContact CD1-CD1 3.91Å; L230-I276 HydrophobicContact CD1-CG1 4.44Å; L230-I276 HydrophobicContact CD2-CD1 4.37Å; L230-I276 HydrophobicContact CD2-CG1 4.07Å; L230-V280 HydrophobicContact CB-CG2 4.49Å; L230-V280 HydrophobicContact CD2-CG1 4.06Å; L230-V280 HydrophobicContact CD2-CG2 4.32Å |
| 231 | H | 89.8 | Confident | 91.1 | Very high | 155 Ų | 155 | 48 Ų | 48 | 72% | 0.718 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 47.9 | -172.3 | -61.2 | -101.7 | 0 | 0 | 0 | 112.3 | C227 K228 | C227-H231 PolarHBondContact O-N 2.98Å; K228-H231 WeakPolarHBondContact O-CA 3.44Å; K228-H231 PolarHBondContact O-N 3.47Å |
| 232 | R | 92.3 | Very high | 91.2 | Very high | 14 Ų | 14 | 47.4 Ų | 47.4 | 5% | 0.053 | 24% | 0.236 | C | C | . | . | trans | -125.3 | 145 | -178.2 | -68.9 | -63 | 173.1 | -88.1 | 6.3 | 113.2 | C227 L230 Y275 Y279 V280 T290 L301 | C227-R232 PolarHBondContact O-N 2.95Å; L230-R232 VanDerWaalsContact C-N 3.31Å; L230-R232 HydrophobicContact CB-CG 4.19Å; L230-R232 WeakPolarHBondContact O-CG 3.5Å; L230-R232 PolarHBondContact O-N 3.17Å; L230-R232 PolarHBondContact O-NH1 3.1Å; R232-Y275 HydrophobicContact CG-CE1 4.24Å; R232-Y279 PolarHBondContact NE-O 3.1Å; R232-Y279 PolarHBondContact NH2-O 2.99Å; R232-V280 HydrophobicContact CG-CG2 4.38Å; R232-T290 PolarHBondContact NH1-O 3.06Å; R232-T290 PolarHBondContact NH2-O 3.23Å; R232-T290 PolarHBondContact NH2-OG1 2.99Å; R232-L301 VanDerWaalsContact NH2-CD1 3.33Å | ||
| 233 | Q | 91.5 | Very high | 91.3 | Very high | 137 Ų | 137 | 48.2 Ų | 48.2 | 64% | 0.64 | 24% | 0.243 | S | C | * | . | trans | -65.8 | 128.3 | 173.2 | -62.1 | -173 | 10.2 | 0 | 0 | 110.5 | K235 H236 L237 | Q233-K235 PolarHBondContact O-N 3.49Å; Q233-K235 VanDerWaalsContact O-N 3.15Å; Q233-H236 WeakPolarHBondContact O-CB 3.15Å; Q233-H236 PolarHBondContact O-N 3.28Å; Q233-L237 PolarHBondContact O-N 2.86Å | ||
| 234 | P | 91.9 | Very high | 91.4 | Very high | 50 Ų | 50 | 52 Ų | 52 | 33% | 0.325 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.3 | -29.1 | -177.7 | 21.9 | -32.5 | 0 | 0 | 0 | 112.9 | F223 C227 H236 L237 L238 I251 | F223-P234 HydrophobicContact CE1-CB 3.75Å; F223-P234 HydrophobicContact CZ-CB 4.16Å; C227-P234 HydrophobicContact CB-CB 4.27Å; P234-H236 VanDerWaalsContact C-N 3.27Å; P234-H236 PolarHBondContact O-N 3.22Å; P234-L237 PolarHBondContact O-N 3.31Å; P234-L238 WeakPolarHBondContact O-CB 3.36Å; P234-L238 PolarHBondContact O-N 2.9Å; P234-I251 HydrophobicContact CB-CD1 4.39Å |
| 235 | K | 91.6 | Very high | 91.3 | Very high | 166 Ų | 166 | 52.4 Ų | 52.4 | 72% | 0.722 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.4 | -35.2 | 174.3 | -65.8 | 178.3 | -179.3 | 173.8 | 0 | 112.8 | Q233 A239 | Q233-K235 PolarHBondContact O-N 3.49Å; Q233-K235 VanDerWaalsContact O-N 3.15Å; K235-A239 WeakPolarHBondContact O-CB 3.47Å; K235-A239 PolarHBondContact O-N 2.89Å |
| 236 | H | 92.8 | Very high | 91.3 | Very high | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.056 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -76.9 | -47.1 | -179.4 | -172.2 | -83.5 | 0 | 0 | 0 | 111.5 | Q233 P234 L238 A239 F240 Y275 Y279 Y299 I315 | Q233-H236 WeakPolarHBondContact O-CB 3.15Å; Q233-H236 PolarHBondContact O-N 3.28Å; P234-H236 VanDerWaalsContact C-N 3.27Å; P234-H236 PolarHBondContact O-N 3.22Å; H236-L238 VanDerWaalsContact C-N 3.33Å; H236-L238 PolarHBondContact O-N 3.47Å; H236-A239 PolarHBondContact O-N 2.93Å; H236-F240 PolarHBondContact O-N 3.5Å; H236-Y275 AromaticContact CE1-CE2 3.86Å; H236-Y275 AromaticContact ND1-CE2 3.63Å; H236-Y275 AromaticContact ND1-CZ 3.76Å; H236-Y275 PolarHBondContact ND1-OH 2.94Å; H236-Y279 AromaticContact CE1-CD1 3.51Å; H236-Y279 AromaticContact CE1-CE1 3.77Å; H236-Y299 AromaticContact CD2-CE1 3.89Å; H236-Y299 AromaticContact CD2-CZ 3.79Å; H236-I315 VanDerWaalsContact CE1-CD1 3.45Å; H236-I315 WeakPolarHBondContact CE1-CD1 3.29Å; H236-I315 WeakPolarHBondContact NE2-CD1 3.35Å; H236-I315 WeakPolarHBondContact O-CD1 3.26Å |
| 237 | L | 92.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.7 | -37 | 178.5 | -155 | 157 | 0 | 0 | 0 | 111.3 | F223 L230 Q233 P234 F240 L241 L272 Y275 | F223-L237 HydrophobicContact CD2-CD2 4.49Å; F223-L237 HydrophobicContact CE2-CD2 3.79Å; L230-L237 HydrophobicContact CD1-CD1 3.91Å; Q233-L237 PolarHBondContact O-N 2.86Å; P234-L237 PolarHBondContact O-N 3.31Å; L237-F240 PolarHBondContact O-N 2.7Å; L237-L241 HydrophobicContact CD2-CD1 3.6Å; L237-L241 HydrophobicContact CD2-CG 3.99Å; L237-L241 PolarHBondContact O-N 3.48Å; L237-L272 HydrophobicContact CD2-CD2 3.96Å; L237-Y275 HydrophobicContact CB-CE1 4.36Å; L237-Y275 HydrophobicContact CD1-CD1 3.83Å; L237-Y275 HydrophobicContact CD1-CE1 3.54Å; L237-Y275 HydrophobicContact CG-CD1 3.92Å; L237-Y275 HydrophobicContact CG-CE1 3.73Å |
| 238 | L | 92.7 | Very high | 91.1 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 17% | 0.168 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.6 | -50.9 | 169.3 | 176.2 | 65.8 | 0 | 0 | 0 | 112.1 | F223 P234 H236 F240 L241 L242 I251 L257 | F223-L238 HydrophobicContact CZ-CB 4.08Å; P234-L238 WeakPolarHBondContact O-CB 3.36Å; P234-L238 PolarHBondContact O-N 2.9Å; H236-L238 VanDerWaalsContact C-N 3.33Å; H236-L238 PolarHBondContact O-N 3.47Å; L238-F240 VanDerWaalsContact C-N 3.3Å; L238-F240 PolarHBondContact O-N 3.19Å; L238-L241 PolarHBondContact O-N 3.4Å; L238-L242 HydrophobicContact CD1-CD1 3.86Å; L238-L242 HydrophobicContact CD1-CG 4.1Å; L238-L242 HydrophobicContact CG-CD1 4.14Å; L238-L242 WeakPolarHBondContact O-CG 3.18Å; L238-L242 PolarHBondContact O-N 3.34Å; L238-I251 HydrophobicContact CD2-CD1 4.08Å; L238-I251 HydrophobicContact CD2-CG1 4.24Å; L238-L257 HydrophobicContact CD1-CD1 3.41Å; L238-L257 VanDerWaalsContact CD1-CD1 3.41Å; L238-L257 HydrophobicContact CD1-CD2 3.79Å; L238-L257 HydrophobicContact CD1-CG 4.26Å |
| 239 | A | 92.3 | Very high | 91.1 | Very high | 44 Ų | 44 | 48.7 Ų | 48.7 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61 | -39.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K235 H236 A243 I315 | K235-A239 WeakPolarHBondContact O-CB 3.47Å; K235-A239 PolarHBondContact O-N 2.89Å; H236-A239 PolarHBondContact O-N 2.93Å; A239-A243 WeakPolarHBondContact O-CB 3.32Å; A239-A243 PolarHBondContact O-N 2.9Å; A239-I315 HydrophobicContact CB-CD1 4.11Å |
| 240 | F | 93.8 | Very high | 91.2 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.6 | -49.3 | 176.7 | -173.2 | -99.7 | 0 | 0 | 0 | 112.1 | H236 L237 L238 L242 A243 E244 V271 R274 Y275 Y279 I315 | H236-F240 PolarHBondContact O-N 3.5Å; L237-F240 PolarHBondContact O-N 2.7Å; L238-F240 VanDerWaalsContact C-N 3.3Å; L238-F240 PolarHBondContact O-N 3.19Å; F240-L242 VanDerWaalsContact C-N 3.32Å; F240-L242 PolarHBondContact O-N 2.79Å; F240-A243 PolarHBondContact O-N 3.18Å; F240-E244 HydrophobicContact CD1-CG 4.14Å; F240-E244 HydrophobicContact CD2-CG 4.42Å; F240-E244 HydrophobicContact CE1-CG 3.65Å; F240-E244 HydrophobicContact CE2-CG 3.94Å; F240-E244 HydrophobicContact CZ-CG 3.54Å; F240-E244 PolarHBondContact O-N 3.03Å; F240-V271 HydrophobicContact CD1-CG1 4.1Å; F240-V271 HydrophobicContact CE1-CG1 3.79Å; F240-R274 HydrophobicContact CZ-CB 4.42Å; F240-Y275 HydrophobicContact CB-CD2 3.94Å; F240-Y275 HydrophobicContact CB-CE2 4.21Å; F240-Y275 AromaticContact CD1-CD2 3.51Å; F240-Y275 HydrophobicContact CD1-CD2 3.51Å; F240-Y275 AromaticContact CD1-CG 3.94Å; F240-Y275 HydrophobicContact CD1-CG 3.94Å; F240-Y275 HydrophobicContact CD2-CD2 4.14Å; F240-Y275 HydrophobicContact CE1-CD2 4Å; F240-Y275 HydrophobicContact CE1-CG 4.25Å; F240-Y275 AromaticContact CG-CD2 3.57Å; F240-Y275 HydrophobicContact CG-CD2 3.57Å; F240-Y275 HydrophobicContact CG-CE2 4.26Å; F240-Y275 HydrophobicContact CG-CG 4.44Å; F240-Y279 HydrophobicContact CD2-CD2 4.44Å; F240-Y279 AromaticContact CD2-CE2 3.72Å; F240-Y279 HydrophobicContact CD2-CE2 3.72Å; F240-Y279 HydrophobicContact CE2-CD2 4.38Å; F240-Y279 AromaticContact CE2-CE2 3.57Å; F240-Y279 HydrophobicContact CE2-CE2 3.57Å; F240-Y279 HydrophobicContact CZ-CE2 4.34Å; F240-I315 HydrophobicContact CB-CD1 3.83Å; F240-I315 HydrophobicContact CD2-CD1 4.48Å; F240-I315 HydrophobicContact CD2-CG1 4.33Å |
| 241 | L | 92.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.9 | -43.8 | 176.9 | -79.7 | 171.7 | 0 | 0 | 0 | 112 | F220 F223 L237 L238 L245 L257 V271 | F220-L241 HydrophobicContact CD1-CD1 4.47Å; F220-L241 HydrophobicContact CE1-CD1 4.43Å; F223-L241 HydrophobicContact CD2-CD1 4.33Å; F223-L241 HydrophobicContact CE2-CD1 3.97Å; L237-L241 HydrophobicContact CD2-CD1 3.6Å; L237-L241 HydrophobicContact CD2-CG 3.99Å; L237-L241 PolarHBondContact O-N 3.48Å; L238-L241 PolarHBondContact O-N 3.4Å; L241-L245 HydrophobicContact CD2-CD1 4.46Å; L241-L245 WeakPolarHBondContact O-CB 3.3Å; L241-L245 WeakPolarHBondContact O-CD1 3.48Å; L241-L245 WeakPolarHBondContact O-CG 3.16Å; L241-L245 PolarHBondContact O-N 3.14Å; L241-L257 HydrophobicContact CD1-CD2 3.75Å; L241-V271 HydrophobicContact CD2-CB 4.34Å; L241-V271 HydrophobicContact CD2-CG1 3.81Å |
| 242 | L | 91.3 | Very high | 91.3 | Very high | 33 Ų | 33 | 47 Ų | 47 | 17% | 0.173 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.5 | -31.7 | -179.4 | -65.1 | -177.1 | 0 | 0 | 0 | 113 | L238 F240 G246 T247 I259 | L238-L242 HydrophobicContact CD1-CD1 3.86Å; L238-L242 HydrophobicContact CD1-CG 4.1Å; L238-L242 HydrophobicContact CG-CD1 4.14Å; L238-L242 WeakPolarHBondContact O-CG 3.18Å; L238-L242 PolarHBondContact O-N 3.34Å; F240-L242 VanDerWaalsContact C-N 3.32Å; F240-L242 PolarHBondContact O-N 2.79Å; L242-G246 WeakPolarHBondContact O-CA 3.47Å; L242-G246 PolarHBondContact O-N 2.91Å; L242-G246 VanDerWaalsContact O-N 3.1Å; L242-T247 PolarHBondContact O-N 2.85Å; L242-I259 HydrophobicContact CD2-CG2 4.4Å |
| 243 | A | 92.4 | Very high | 90.9 | Very high | 27 Ų | 27 | 49.9 Ų | 49.9 | 22% | 0.223 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.2 | -53.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A239 F240 L245 G246 I315 | A239-A243 WeakPolarHBondContact O-CB 3.32Å; A239-A243 PolarHBondContact O-N 2.9Å; F240-A243 PolarHBondContact O-N 3.18Å; A243-L245 PolarHBondContact O-N 2.83Å; A243-G246 PolarHBondContact O-N 2.9Å; A243-I315 HydrophobicContact CB-CG2 3.91Å |
| 244 | E | 91.7 | Very high | 90.5 | Very high | 81 Ų | 81 | 47.6 Ų | 47.6 | 38% | 0.379 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.5 | -36.5 | -179.2 | -75.7 | -79.6 | 112.9 | 0 | 0 | 113.1 | F240 G246 V271 R274 | F240-E244 HydrophobicContact CD1-CG 4.14Å; F240-E244 HydrophobicContact CD2-CG 4.42Å; F240-E244 HydrophobicContact CE1-CG 3.65Å; F240-E244 HydrophobicContact CE2-CG 3.94Å; F240-E244 HydrophobicContact CZ-CG 3.54Å; F240-E244 PolarHBondContact O-N 3.03Å; E244-G246 VanDerWaalsContact C-N 3.33Å; E244-V271 HydrophobicContact CB-CG1 3.62Å; E244-V271 HydrophobicContact CB-CG2 4.15Å; E244-V271 HydrophobicContact CG-CG1 3.91Å; E244-R274 IonicContact OE2-CZ 3.75Å; E244-R274 IonicContact OE2-NE 2.71Å; E244-R274 IonicContact OE2-NH1 3.29Å; E244-R274 PolarHBondContact OE2-NH1 3.31Å |
| 245 | L | 89.3 | Confident | 90.2 | Very high | 31 Ų | 31 | 49.5 Ų | 49.5 | 16% | 0.162 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -7.4 | 176.8 | -60.2 | 172.9 | 0 | 0 | 0 | 112.9 | L241 A243 T247 I259 F263 I268 V271 | L241-L245 HydrophobicContact CD2-CD1 4.46Å; L241-L245 WeakPolarHBondContact O-CB 3.3Å; L241-L245 WeakPolarHBondContact O-CD1 3.48Å; L241-L245 WeakPolarHBondContact O-CG 3.16Å; L241-L245 PolarHBondContact O-N 3.14Å; A243-L245 PolarHBondContact O-N 2.83Å; L245-T247 WeakPolarHBondContact O-CG2 3.4Å; L245-T247 PolarHBondContact O-N 3.05Å; L245-I259 HydrophobicContact CD1-CD1 4Å; L245-F263 HydrophobicContact CB-CE1 4.31Å; L245-F263 HydrophobicContact CB-CZ 4.14Å; L245-F263 HydrophobicContact CD1-CE1 4.45Å; L245-F263 HydrophobicContact CD1-CZ 4.42Å; L245-F263 HydrophobicContact CD2-CD1 4.13Å; L245-F263 HydrophobicContact CD2-CE1 3.8Å; L245-F263 HydrophobicContact CD2-CZ 4.43Å; L245-F263 HydrophobicContact CG-CE1 4.42Å; L245-I268 HydrophobicContact CD1-CD1 3.63Å; L245-I268 HydrophobicContact CD2-CD1 4.28Å; L245-V271 HydrophobicContact CD2-CG2 3.98Å |
| 246 | G | 90 | Very high | 90.1 | Very high | 47 Ų | 47 | 44.3 Ų | 44.3 | 49% | 0.485 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 22.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | L242 A243 E244 Q320 | L242-G246 WeakPolarHBondContact O-CA 3.47Å; L242-G246 PolarHBondContact O-N 2.91Å; L242-G246 VanDerWaalsContact O-N 3.1Å; A243-G246 PolarHBondContact O-N 2.9Å; E244-G246 VanDerWaalsContact C-N 3.33Å; G246-Q320 PolarHBondContact O-NE2 3.44Å |
| 247 | T | 88.6 | Confident | 90 | Very high | 31 Ų | 31 | 43.8 Ų | 43.8 | 19% | 0.19 | 28% | 0.284 | C | S | . | . | trans | -113.8 | -174.2 | -171.1 | 48 | 0 | 0 | 0 | 0 | 113.2 | L242 L245 I259 K260 F263 Q320 | L242-T247 PolarHBondContact O-N 2.85Å; L245-T247 WeakPolarHBondContact O-CG2 3.4Å; L245-T247 PolarHBondContact O-N 3.05Å; T247-I259 WeakPolarHBondContact OG1-CG2 3.26Å; T247-K260 WeakPolarHBondContact CG2-O 3.44Å; T247-F263 HydrophobicContact CG2-CE2 4.12Å; T247-F263 HydrophobicContact CG2-CZ 3.76Å; T247-Q320 VanDerWaalsContact C-NE2 3.26Å; T247-Q320 PolarHBondContact O-NE2 2.95Å | ||
| 248 | S | 88.4 | Confident | 90 | Very high | 45 Ų | 45 | 45.6 Ų | 45.6 | 32% | 0.315 | 29% | 0.294 | S | S | . | . | trans | -129.8 | 139.6 | 165.7 | 52.5 | 0 | 0 | 0 | 0 | 109.7 | K260 | S248-K260 WeakPolarHBondContact O-CB 3.42Å; S248-K260 WeakPolarHBondContact O-CD 3.3Å; S248-K260 VanDerWaalsContact O-CG 3.26Å; S248-K260 WeakPolarHBondContact O-CG 3.41Å; S248-K260 PolarHBondContact O-N 3.29Å; S248-K260 PolarHBondContact OG-NZ 3.27Å | ||
| 249 | G | 90.3 | Very high | 90.1 | Very high | 20 Ų | 20 | 44.2 Ų | 44.2 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 173.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I258 | G249-I258 CarbonylContact C-O 3.57Å; G249-I258 WeakPolarHBondContact CA-O 3.46Å |
| 250 | S | 90.6 | Very high | 90 | Very high | 68 Ų | 68 | 47.8 Ų | 47.8 | 48% | 0.476 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 142.2 | 179.7 | 49.5 | 0 | 0 | 0 | 0 | 109.5 | I258 | S250-I258 PolarHBondContact N-O 3.1Å; S250-I258 PolarHBondContact O-N 2.73Å |
| 251 | I | 90.8 | Very high | 89.8 | Confident | 64 Ų | 64 | 48.2 Ų | 48.2 | 33% | 0.328 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 134.4 | 165.6 | -58.2 | 166.6 | 0 | 0 | 0 | 106.9 | F223 P234 L238 Q256 | F223-I251 HydrophobicContact CD1-CD1 4.45Å; F223-I251 HydrophobicContact CD1-CG1 4.34Å; F223-I251 HydrophobicContact CE1-CD1 3.65Å; F223-I251 HydrophobicContact CE1-CG1 3.87Å; F223-I251 HydrophobicContact CZ-CD1 4.39Å; P234-I251 HydrophobicContact CB-CD1 4.39Å; L238-I251 HydrophobicContact CD2-CD1 4.08Å; L238-I251 HydrophobicContact CD2-CG1 4.24Å; I251-Q256 WeakPolarHBondContact CA-O 3.22Å |
| 252 | D | 90.1 | Very high | 89.7 | Confident | 67 Ų | 67 | 56.9 Ų | 56.9 | 36% | 0.358 | 34% | 0.335 | S | S | . | . | trans | -89.5 | 163 | 176.3 | -177.7 | 61 | 0 | 0 | 0 | 111.6 | T254 N255 Q256 I258 | D252-T254 PolarHBondContact O-N 2.93Å; D252-T254 WeakPolarHBondContact OD2-CB 3.49Å; D252-T254 WeakPolarHBondContact OD2-CG2 3.41Å; D252-T254 PolarHBondContact OD2-N 2.84Å; D252-T254 PolarHBondContact OD2-OG1 2.78Å; D252-N255 PolarHBondContact O-N 2.97Å; D252-Q256 PolarHBondContact N-O 3.15Å; D252-I258 HydrophobicContact CB-CD1 3.95Å; D252-I258 HydrophobicContact CB-CG1 4.28Å | ||
| 253 | G | 83.8 | Confident | 89.7 | Confident | 75 Ų | 75 | 56.7 Ų | 56.7 | 77% | 0.773 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N255 | G253-N255 PolarHBondContact O-N 3.18Å; G253-N255 VanDerWaalsContact O-N 3.15Å |
| 254 | T | 83.8 | Confident | 89.6 | Confident | 89 Ų | 89 | 60.8 Ų | 60.8 | 55% | 0.546 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 14.6 | 173.3 | 63.3 | 0 | 0 | 0 | 0 | 114.3 | D252 Q256 | D252-T254 PolarHBondContact O-N 2.93Å; D252-T254 WeakPolarHBondContact OD2-CB 3.49Å; D252-T254 WeakPolarHBondContact OD2-CG2 3.41Å; D252-T254 PolarHBondContact OD2-N 2.84Å; D252-T254 PolarHBondContact OD2-OG1 2.78Å; T254-Q256 PolarHBondContact O-N 2.9Å |
| 255 | N | 85.3 | Confident | 89.6 | Confident | 90 Ų | 90 | 61.4 Ų | 61.4 | 48% | 0.481 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 63.3 | 0.8 | -177.1 | -70.8 | -63.4 | 0 | 0 | 0 | 116.4 | T224 D252 G253 | T224-N255 HydrophobicContact CG2-CB 3.72Å; D252-N255 PolarHBondContact O-N 2.97Å; G253-N255 PolarHBondContact O-N 3.18Å; G253-N255 VanDerWaalsContact O-N 3.15Å |
| 256 | Q | 89.4 | Confident | 89.7 | Confident | 57 Ų | 57 | 67.6 Ų | 67.6 | 27% | 0.266 | 38% | 0.376 | S | S | . | . | trans | -77.3 | 149.5 | 175.2 | -49.8 | -174.7 | 25.9 | 0 | 0 | 111.7 | S219 F220 V221 I251 D252 T254 | S219-Q256 WeakPolarHBondContact OG-CB 3.48Å; S219-Q256 PolarHBondContact OG-OE1 3.25Å; F220-Q256 WeakPolarHBondContact O-CA 3.46Å; V221-Q256 HydrophobicContact CG1-CG 4.34Å; I251-Q256 WeakPolarHBondContact CA-O 3.22Å; D252-Q256 PolarHBondContact N-O 3.15Å; T254-Q256 PolarHBondContact O-N 2.9Å | ||
| 257 | L | 91.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 110.1 | 174.8 | 169.3 | 53 | 0 | 0 | 0 | 111.2 | S219 F220 F223 L238 L241 I259 | S219-L257 CarbonylContact C-O 3.55Å; S219-L257 WeakPolarHBondContact CA-O 3.48Å; F220-L257 HydrophobicContact CB-CB 4.29Å; F220-L257 PolarHBondContact N-O 3.48Å; F220-L257 PolarHBondContact O-N 3.49Å; F223-L257 HydrophobicContact CB-CB 3.96Å; F223-L257 HydrophobicContact CD1-CB 4.09Å; F223-L257 HydrophobicContact CD2-CB 3.94Å; F223-L257 HydrophobicContact CD2-CD2 3.67Å; F223-L257 HydrophobicContact CD2-CG 4.47Å; F223-L257 HydrophobicContact CE2-CB 4.5Å; F223-L257 HydrophobicContact CE2-CD2 3.6Å; F223-L257 HydrophobicContact CG-CB 3.71Å; F223-L257 HydrophobicContact CG-CD2 4.29Å; F223-L257 HydrophobicContact CZ-CD2 4.18Å; L238-L257 HydrophobicContact CD1-CD1 3.41Å; L238-L257 VanDerWaalsContact CD1-CD1 3.41Å; L238-L257 HydrophobicContact CD1-CD2 3.79Å; L238-L257 HydrophobicContact CD1-CG 4.26Å; L241-L257 HydrophobicContact CD1-CD2 3.75Å; L257-I259 HydrophobicContact CD1-CG1 4.25Å; L257-I259 HydrophobicContact CD2-CD1 4.31Å; L257-I259 HydrophobicContact CD2-CG1 4.34Å; L257-I259 HydrophobicContact CG-CD1 4.29Å; L257-I259 HydrophobicContact CG-CG1 3.85Å |
| 258 | I | 92.2 | Very high | 89.8 | Confident | 39 Ų | 39 | 68.1 Ų | 68.1 | 20% | 0.2 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 113.4 | 175.6 | -56.3 | 178.6 | 0 | 0 | 0 | 109.9 | K217 G249 S250 D252 | K217-I258 HydrophobicContact CB-CG2 4.21Å; K217-I258 HydrophobicContact CD-CG2 3.99Å; G249-I258 CarbonylContact C-O 3.57Å; G249-I258 WeakPolarHBondContact CA-O 3.46Å; S250-I258 PolarHBondContact N-O 3.1Å; S250-I258 PolarHBondContact O-N 2.73Å; D252-I258 HydrophobicContact CB-CD1 3.95Å; D252-I258 HydrophobicContact CB-CG1 4.28Å |
| 259 | I | 93.1 | Very high | 90 | Very high | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.015 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 135 | 178.6 | -45.2 | -179.6 | 0 | 0 | 0 | 109.8 | K217 S218 L242 L245 T247 L257 G261 F263 I268 | K217-I259 WeakPolarHBondContact CA-O 3.28Å; S218-I259 PolarHBondContact N-O 2.85Å; S218-I259 PolarHBondContact O-N 3.26Å; L242-I259 HydrophobicContact CD2-CG2 4.4Å; L245-I259 HydrophobicContact CD1-CD1 4Å; T247-I259 WeakPolarHBondContact OG1-CG2 3.26Å; L257-I259 HydrophobicContact CD1-CG1 4.25Å; L257-I259 HydrophobicContact CD2-CD1 4.31Å; L257-I259 HydrophobicContact CD2-CG1 4.34Å; L257-I259 HydrophobicContact CG-CD1 4.29Å; L257-I259 HydrophobicContact CG-CG1 3.85Å; I259-G261 PolarHBondContact O-N 3.33Å; I259-F263 HydrophobicContact CB-CD2 4.42Å; I259-F263 HydrophobicContact CB-CE2 4.43Å; I259-F263 HydrophobicContact CG2-CD2 4.08Å; I259-F263 HydrophobicContact CG2-CE2 3.63Å; I259-I268 HydrophobicContact CD1-CD1 4.33Å |
| 260 | K | 90.6 | Very high | 90.1 | Very high | 120 Ų | 120 | 72 Ų | 72 | 52% | 0.522 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 116.9 | 172.5 | -62.1 | 167.9 | -157.1 | 159.4 | 0 | 109.5 | T247 S248 | T247-K260 WeakPolarHBondContact CG2-O 3.44Å; S248-K260 WeakPolarHBondContact O-CB 3.42Å; S248-K260 WeakPolarHBondContact O-CD 3.3Å; S248-K260 VanDerWaalsContact O-CG 3.26Å; S248-K260 WeakPolarHBondContact O-CG 3.41Å; S248-K260 PolarHBondContact O-N 3.29Å; S248-K260 PolarHBondContact OG-NZ 3.27Å |
| 261 | G | 90.1 | Very high | 90.2 | Very high | 24 Ų | 24 | 69.1 Ų | 69.1 | 25% | 0.247 | 35% | 0.354 | C | S | . | . | S | Bend | trans | 142.4 | 178.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K216 K217 S218 I259 | K216-G261 CarbonylContact C-O 3.59Å; K216-G261 PolarHBondContact O-N 2.83Å; K217-G261 CarbonylContact C-O 3.55Å; S218-G261 PolarHBondContact N-O 3.18Å; S218-G261 PolarHBondContact OG-O 2.82Å; I259-G261 PolarHBondContact O-N 3.33Å |
| 262 | R | 89.9 | Confident | 90.2 | Very high | 183 Ų | 183 | 66.2 Ų | 66.2 | 69% | 0.691 | 34% | 0.339 | S | S | * | . | trans | -113.8 | 98.6 | 171.5 | -69.2 | -177.8 | 179.1 | -171.4 | -1.3 | 108.2 | T215 | T215-R262 PolarHBondContact O-NE 3.01Å; T215-R262 PolarHBondContact O-NH2 3.02Å | ||
| 263 | F | 91 | Very high | 90.2 | Very high | 29 Ų | 29 | 70.8 Ų | 70.8 | 13% | 0.127 | 35% | 0.351 | C | S | . | . | trans | -103.7 | 146.8 | -179.8 | -68.1 | -72.7 | 0 | 0 | 0 | 111.7 | S218 L245 T247 I259 I268 | S218-F263 PolarHBondContact OG-N 3.27Å; S218-F263 VanDerWaalsContact OG-N 3.14Å; L245-F263 HydrophobicContact CB-CE1 4.31Å; L245-F263 HydrophobicContact CB-CZ 4.14Å; L245-F263 HydrophobicContact CD1-CE1 4.45Å; L245-F263 HydrophobicContact CD1-CZ 4.42Å; L245-F263 HydrophobicContact CD2-CD1 4.13Å; L245-F263 HydrophobicContact CD2-CE1 3.8Å; L245-F263 HydrophobicContact CD2-CZ 4.43Å; L245-F263 HydrophobicContact CG-CE1 4.42Å; T247-F263 HydrophobicContact CG2-CE2 4.12Å; T247-F263 HydrophobicContact CG2-CZ 3.76Å; I259-F263 HydrophobicContact CB-CD2 4.42Å; I259-F263 HydrophobicContact CB-CE2 4.43Å; I259-F263 HydrophobicContact CG2-CD2 4.08Å; I259-F263 HydrophobicContact CG2-CE2 3.63Å; F263-I268 HydrophobicContact CB-CD1 4.07Å; F263-I268 HydrophobicContact CB-CG1 4.27Å; F263-I268 HydrophobicContact CD1-CD1 4.48Å; F263-I268 HydrophobicContact CG-CD1 4.2Å | ||
| 264 | Q | 91.8 | Very high | 90.6 | Very high | 113 Ų | 113 | 72.8 Ų | 72.8 | 53% | 0.528 | 34% | 0.335 | S | S | . | . | trans | -97.4 | 147.9 | 168.3 | -59.6 | -173.3 | 7.2 | 0 | 0 | 109.6 | K266 Q267 I268 | Q264-K266 VanDerWaalsContact C-N 3.26Å; Q264-K266 PolarHBondContact O-N 3.2Å; Q264-Q267 HydrophobicContact CB-CG 4.27Å; Q264-Q267 WeakPolarHBondContact O-CB 3.45Å; Q264-Q267 PolarHBondContact O-N 3.38Å; Q264-I268 PolarHBondContact O-N 3.21Å | ||
| 265 | Q | 90.6 | Very high | 91.1 | Very high | 95 Ų | 95 | 68.6 Ų | 68.6 | 44% | 0.444 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -50.6 | -45.3 | 178.5 | -168.4 | 175.9 | 18.6 | 0 | 0 | 112.6 | P208 Q267 I268 E269 | P208-Q265 HydrophobicContact CG-CG 4.49Å; P208-Q265 VanDerWaalsContact O-CG 3.29Å; P208-Q265 WeakPolarHBondContact O-CG 3.36Å; P208-Q265 PolarHBondContact O-NE2 3.41Å; Q265-Q267 PolarHBondContact O-N 2.92Å; Q265-I268 PolarHBondContact O-N 3.28Å; Q265-E269 WeakPolarHBondContact O-CB 3.48Å; Q265-E269 PolarHBondContact O-N 2.71Å |
| 266 | K | 90.8 | Very high | 91.4 | Very high | 161 Ų | 161 | 66 Ų | 66 | 70% | 0.7 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.3 | -28.9 | 177.4 | -60.8 | -172.8 | 177.7 | -175.4 | 0 | 114.3 | Q264 N270 | Q264-K266 VanDerWaalsContact C-N 3.26Å; Q264-K266 PolarHBondContact O-N 3.2Å; K266-N270 WeakPolarHBondContact O-CB 3.36Å; K266-N270 PolarHBondContact O-N 2.96Å |
| 267 | Q | 90.9 | Very high | 91.4 | Very high | 87 Ų | 87 | 70.6 Ų | 70.6 | 41% | 0.407 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -75.3 | -46.1 | 178.1 | -64.8 | 168.7 | -35.3 | 0 | 0 | 110.6 | Q264 Q265 E269 N270 V271 | Q264-Q267 HydrophobicContact CB-CG 4.27Å; Q264-Q267 WeakPolarHBondContact O-CB 3.45Å; Q264-Q267 PolarHBondContact O-N 3.38Å; Q265-Q267 PolarHBondContact O-N 2.92Å; Q267-E269 VanDerWaalsContact C-N 3.32Å; Q267-E269 PolarHBondContact O-N 3.01Å; Q267-N270 PolarHBondContact O-N 2.9Å; Q267-V271 PolarHBondContact O-N 3.23Å |
| 268 | I | 91.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 175.4 | -56.7 | -56.8 | 0 | 0 | 0 | 110.4 | V210 F220 L245 I259 F263 Q264 Q265 N270 V271 L272 | V210-I268 HydrophobicContact CG2-CB 4.28Å; V210-I268 HydrophobicContact CG2-CG1 4Å; V210-I268 HydrophobicContact CG2-CG2 4.46Å; F220-I268 HydrophobicContact CE1-CG2 4.36Å; L245-I268 HydrophobicContact CD1-CD1 3.63Å; L245-I268 HydrophobicContact CD2-CD1 4.28Å; I259-I268 HydrophobicContact CD1-CD1 4.33Å; F263-I268 HydrophobicContact CB-CD1 4.07Å; F263-I268 HydrophobicContact CB-CG1 4.27Å; F263-I268 HydrophobicContact CD1-CD1 4.48Å; F263-I268 HydrophobicContact CG-CD1 4.2Å; Q264-I268 PolarHBondContact O-N 3.21Å; Q265-I268 PolarHBondContact O-N 3.28Å; I268-N270 PolarHBondContact O-N 2.67Å; I268-V271 PolarHBondContact O-N 3Å; I268-L272 HydrophobicContact CG2-CD1 3.81Å; I268-L272 HydrophobicContact CG2-CG 4.34Å; I268-L272 VanDerWaalsContact O-CG 3.32Å; I268-L272 WeakPolarHBondContact O-CG 3.47Å; I268-L272 PolarHBondContact O-N 2.91Å |
| 269 | E | 90.9 | Very high | 91.4 | Very high | 65 Ų | 65 | 73.2 Ų | 73.2 | 30% | 0.304 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 176.1 | -165.1 | -160.2 | 145.3 | 0 | 0 | 112.8 | P208 Q265 Q267 V271 L272 R273 | P208-E269 HydrophobicContact CG-CB 4.45Å; Q265-E269 WeakPolarHBondContact O-CB 3.48Å; Q265-E269 PolarHBondContact O-N 2.71Å; Q267-E269 VanDerWaalsContact C-N 3.32Å; Q267-E269 PolarHBondContact O-N 3.01Å; E269-V271 PolarHBondContact O-N 3.44Å; E269-L272 PolarHBondContact O-N 3.09Å; E269-R273 WeakPolarHBondContact O-CB 3.35Å; E269-R273 VanDerWaalsContact O-CG 3.3Å; E269-R273 WeakPolarHBondContact O-CG 3.47Å; E269-R273 PolarHBondContact O-N 3.4Å; E269-R273 IonicContact OE1-CZ 2.79Å; E269-R273 IonicContact OE1-NE 2.67Å; E269-R273 PolarHBondContact OE1-NE 3.11Å; E269-R273 IonicContact OE1-NH2 3.46Å; E269-R273 PolarHBondContact OE1-NH2 2.89Å |
| 270 | N | 93.1 | Very high | 91.3 | Very high | 83 Ų | 83 | 73.1 Ų | 73.1 | 44% | 0.444 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 176.3 | -176.1 | -23.4 | 0 | 0 | 0 | 111.8 | K266 Q267 I268 R273 R274 | K266-N270 WeakPolarHBondContact O-CB 3.36Å; K266-N270 PolarHBondContact O-N 2.96Å; Q267-N270 PolarHBondContact O-N 2.9Å; I268-N270 PolarHBondContact O-N 2.67Å; N270-R273 PolarHBondContact O-N 2.82Å; N270-R274 PolarHBondContact O-N 2.93Å; N270-R274 VanDerWaalsContact O-N 3.09Å; N270-R274 PolarHBondContact OD1-NE 3.11Å; N270-R274 VanDerWaalsContact OD1-NE 3.11Å; N270-R274 PolarHBondContact OD1-NH2 2.9Å |
| 271 | V | 92.4 | Very high | 91.2 | Very high | 7 Ų | 7 | 69.1 Ų | 69.1 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 175.9 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | F240 L241 E244 L245 Q267 I268 E269 R274 Y275 | F240-V271 HydrophobicContact CD1-CG1 4.1Å; F240-V271 HydrophobicContact CE1-CG1 3.79Å; L241-V271 HydrophobicContact CD2-CB 4.34Å; L241-V271 HydrophobicContact CD2-CG1 3.81Å; E244-V271 HydrophobicContact CB-CG1 3.62Å; E244-V271 HydrophobicContact CB-CG2 4.15Å; E244-V271 HydrophobicContact CG-CG1 3.91Å; L245-V271 HydrophobicContact CD2-CG2 3.98Å; Q267-V271 PolarHBondContact O-N 3.23Å; I268-V271 PolarHBondContact O-N 3Å; E269-V271 PolarHBondContact O-N 3.44Å; V271-R274 WeakPolarHBondContact O-CB 3.37Å; V271-R274 PolarHBondContact O-N 2.78Å; V271-Y275 PolarHBondContact O-N 3.21Å |
| 272 | L | 91.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 174.8 | -71.2 | 167 | 0 | 0 | 0 | 112.1 | M205 P208 F220 L237 I268 E269 R274 Y275 I276 | M205-L272 HydrophobicContact CE-CB 4.44Å; M205-L272 HydrophobicContact CE-CD1 3.93Å; P208-L272 HydrophobicContact CB-CD1 3.95Å; P208-L272 HydrophobicContact CG-CD1 4.2Å; F220-L272 HydrophobicContact CE1-CD1 4.38Å; F220-L272 HydrophobicContact CZ-CD1 4.02Å; L237-L272 HydrophobicContact CD2-CD2 3.96Å; I268-L272 HydrophobicContact CG2-CD1 3.81Å; I268-L272 HydrophobicContact CG2-CG 4.34Å; I268-L272 VanDerWaalsContact O-CG 3.32Å; I268-L272 WeakPolarHBondContact O-CG 3.47Å; I268-L272 PolarHBondContact O-N 2.91Å; E269-L272 PolarHBondContact O-N 3.09Å; L272-R274 VanDerWaalsContact C-N 3.32Å; L272-R274 PolarHBondContact O-N 3.31Å; L272-Y275 WeakPolarHBondContact O-CB 3.45Å; L272-Y275 PolarHBondContact O-N 3.25Å; L272-I276 VanDerWaalsContact O-CG1 3.28Å; L272-I276 WeakPolarHBondContact O-CG1 3.49Å; L272-I276 PolarHBondContact O-N 3.04Å |
| 273 | R | 90.9 | Very high | 91.2 | Very high | 162 Ų | 162 | 64.4 Ų | 64.4 | 61% | 0.611 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -61.7 | -38 | 174 | -74.1 | 173 | -179 | -84.5 | 2.8 | 112.2 | E269 N270 K277 | E269-R273 WeakPolarHBondContact O-CB 3.35Å; E269-R273 VanDerWaalsContact O-CG 3.3Å; E269-R273 WeakPolarHBondContact O-CG 3.47Å; E269-R273 PolarHBondContact O-N 3.4Å; E269-R273 IonicContact OE1-CZ 2.79Å; E269-R273 IonicContact OE1-NE 2.67Å; E269-R273 PolarHBondContact OE1-NE 3.11Å; E269-R273 IonicContact OE1-NH2 3.46Å; E269-R273 PolarHBondContact OE1-NH2 2.89Å; N270-R273 PolarHBondContact O-N 2.82Å; R273-K277 PolarHBondContact O-N 3.2Å |
| 274 | R | 92.1 | Very high | 91.1 | Very high | 118 Ų | 118 | 67.5 Ų | 67.5 | 45% | 0.445 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.5 | -47.6 | 170.2 | -86.4 | 178.6 | -101.2 | 179.6 | -15.7 | 112 | F240 E244 N270 V271 L272 I276 K277 E278 | F240-R274 HydrophobicContact CZ-CB 4.42Å; E244-R274 IonicContact OE2-CZ 3.75Å; E244-R274 IonicContact OE2-NE 2.71Å; E244-R274 IonicContact OE2-NH1 3.29Å; E244-R274 PolarHBondContact OE2-NH1 3.31Å; N270-R274 PolarHBondContact O-N 2.93Å; N270-R274 VanDerWaalsContact O-N 3.09Å; N270-R274 PolarHBondContact OD1-NE 3.11Å; N270-R274 VanDerWaalsContact OD1-NE 3.11Å; N270-R274 PolarHBondContact OD1-NH2 2.9Å; V271-R274 WeakPolarHBondContact O-CB 3.37Å; V271-R274 PolarHBondContact O-N 2.78Å; L272-R274 VanDerWaalsContact C-N 3.32Å; L272-R274 PolarHBondContact O-N 3.31Å; R274-I276 VanDerWaalsContact C-N 3.32Å; R274-I276 PolarHBondContact O-N 3.06Å; R274-K277 PolarHBondContact O-N 3.01Å; R274-E278 PolarHBondContact O-N 3.43Å |
| 275 | Y | 93 | Very high | 90.7 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.8 | -45.5 | 178.7 | -176 | -109.7 | 0 | 0 | 0 | 112.4 | R232 H236 L237 F240 V271 L272 E278 Y279 V280 | R232-Y275 HydrophobicContact CG-CE1 4.24Å; H236-Y275 AromaticContact CE1-CE2 3.86Å; H236-Y275 AromaticContact ND1-CE2 3.63Å; H236-Y275 AromaticContact ND1-CZ 3.76Å; H236-Y275 PolarHBondContact ND1-OH 2.94Å; L237-Y275 HydrophobicContact CB-CE1 4.36Å; L237-Y275 HydrophobicContact CD1-CD1 3.83Å; L237-Y275 HydrophobicContact CD1-CE1 3.54Å; L237-Y275 HydrophobicContact CG-CD1 3.92Å; L237-Y275 HydrophobicContact CG-CE1 3.73Å; F240-Y275 HydrophobicContact CB-CD2 3.94Å; F240-Y275 HydrophobicContact CB-CE2 4.21Å; F240-Y275 AromaticContact CD1-CD2 3.51Å; F240-Y275 HydrophobicContact CD1-CD2 3.51Å; F240-Y275 AromaticContact CD1-CG 3.94Å; F240-Y275 HydrophobicContact CD1-CG 3.94Å; F240-Y275 HydrophobicContact CD2-CD2 4.14Å; F240-Y275 HydrophobicContact CE1-CD2 4Å; F240-Y275 HydrophobicContact CE1-CG 4.25Å; F240-Y275 AromaticContact CG-CD2 3.57Å; F240-Y275 HydrophobicContact CG-CD2 3.57Å; F240-Y275 HydrophobicContact CG-CE2 4.26Å; F240-Y275 HydrophobicContact CG-CG 4.44Å; V271-Y275 PolarHBondContact O-N 3.21Å; L272-Y275 WeakPolarHBondContact O-CB 3.45Å; L272-Y275 PolarHBondContact O-N 3.25Å; Y275-E278 PolarHBondContact O-N 2.9Å; Y275-Y279 AromaticContact CD2-CD2 3.47Å; Y275-Y279 HydrophobicContact CD2-CD2 3.47Å; Y275-Y279 VanDerWaalsContact CD2-CD2 3.47Å; Y275-Y279 HydrophobicContact CD2-CE2 4.21Å; Y275-Y279 AromaticContact CD2-CG 3.99Å; Y275-Y279 HydrophobicContact CD2-CG 3.99Å; Y275-Y279 HydrophobicContact CE2-CD1 4.39Å; Y275-Y279 AromaticContact CE2-CD2 3.55Å; Y275-Y279 HydrophobicContact CE2-CD2 3.55Å; Y275-Y279 HydrophobicContact CE2-CE2 4.39Å; Y275-Y279 AromaticContact CE2-CG 3.58Å; Y275-Y279 HydrophobicContact CE2-CG 3.58Å; Y275-Y279 HydrophobicContact CG-CD2 4.45Å; Y275-Y279 PolarHBondContact O-N 3.32Å; Y275-V280 HydrophobicContact CD1-CG2 4.24Å; Y275-V280 HydrophobicContact CE1-CG2 3.92Å |
| 276 | I | 91.6 | Very high | 90.5 | Very high | 34 Ų | 34 | 68.8 Ų | 68.8 | 17% | 0.174 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 179.9 | -69.1 | 163.1 | 0 | 0 | 0 | 110.8 | M205 L230 L272 R274 E278 V280 T281 | M205-I276 HydrophobicContact SD-CD1 3.8Å; L230-I276 HydrophobicContact CD1-CG1 4.44Å; L230-I276 HydrophobicContact CD2-CD1 4.37Å; L230-I276 HydrophobicContact CD2-CG1 4.07Å; L272-I276 VanDerWaalsContact O-CG1 3.28Å; L272-I276 WeakPolarHBondContact O-CG1 3.49Å; L272-I276 PolarHBondContact O-N 3.04Å; R274-I276 VanDerWaalsContact C-N 3.32Å; R274-I276 PolarHBondContact O-N 3.06Å; I276-E278 VanDerWaalsContact C-N 3.29Å; I276-E278 PolarHBondContact O-N 3.32Å; I276-V280 HydrophobicContact CG2-CB 4.36Å; I276-V280 CarbonylContact O-C 3.47Å; I276-V280 WeakPolarHBondContact O-CA 3.3Å; I276-V280 WeakPolarHBondContact O-CB 3.41Å; I276-V280 PolarHBondContact O-N 3.12Å; I276-V280 VanDerWaalsContact O-N 3.1Å; I276-T281 HydrophobicContact CG2-CG2 4.11Å; I276-T281 PolarHBondContact O-N 3.34Å; I276-T281 PolarHBondContact O-OG1 2.99Å |
| 277 | K | 90.6 | Very high | 90.3 | Very high | 155 Ų | 155 | 61.7 Ų | 61.7 | 67% | 0.674 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.9 | -37.9 | -179.3 | -171.2 | -174.4 | 173.7 | -165.5 | 0 | 112.9 | R273 R274 T281 | R273-K277 PolarHBondContact O-N 3.2Å; R274-K277 PolarHBondContact O-N 3.01Å; K277-T281 WeakPolarHBondContact CA-OG1 3.38Å; K277-T281 PolarHBondContact O-OG1 3.48Å |
| 278 | E | 90.8 | Very high | 90.1 | Very high | 82 Ų | 82 | 59.6 Ų | 59.6 | 38% | 0.383 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -93.7 | -38.1 | -171.1 | -163.8 | 77.7 | -174.6 | 0 | 0 | 113.2 | R274 Y275 I276 V312 | R274-E278 PolarHBondContact O-N 3.43Å; Y275-E278 PolarHBondContact O-N 2.9Å; I276-E278 VanDerWaalsContact C-N 3.29Å; I276-E278 PolarHBondContact O-N 3.32Å; E278-V312 HydrophobicContact CG-CG1 4.45Å |
| 279 | Y | 91.7 | Very high | 89.9 | Confident | 12 Ų | 12 | 63.3 Ų | 63.3 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -119.6 | 0.8 | -169.7 | -59.7 | -90.5 | 0 | 0 | 0 | 114.9 | R232 H236 F240 Y275 V312 A313 I315 | R232-Y279 PolarHBondContact NE-O 3.1Å; R232-Y279 PolarHBondContact NH2-O 2.99Å; H236-Y279 AromaticContact CE1-CD1 3.51Å; H236-Y279 AromaticContact CE1-CE1 3.77Å; F240-Y279 HydrophobicContact CD2-CD2 4.44Å; F240-Y279 AromaticContact CD2-CE2 3.72Å; F240-Y279 HydrophobicContact CD2-CE2 3.72Å; F240-Y279 HydrophobicContact CE2-CD2 4.38Å; F240-Y279 AromaticContact CE2-CE2 3.57Å; F240-Y279 HydrophobicContact CE2-CE2 3.57Å; F240-Y279 HydrophobicContact CZ-CE2 4.34Å; Y275-Y279 AromaticContact CD2-CD2 3.47Å; Y275-Y279 HydrophobicContact CD2-CD2 3.47Å; Y275-Y279 VanDerWaalsContact CD2-CD2 3.47Å; Y275-Y279 HydrophobicContact CD2-CE2 4.21Å; Y275-Y279 AromaticContact CD2-CG 3.99Å; Y275-Y279 HydrophobicContact CD2-CG 3.99Å; Y275-Y279 HydrophobicContact CE2-CD1 4.39Å; Y275-Y279 AromaticContact CE2-CD2 3.55Å; Y275-Y279 HydrophobicContact CE2-CD2 3.55Å; Y275-Y279 HydrophobicContact CE2-CE2 4.39Å; Y275-Y279 AromaticContact CE2-CG 3.58Å; Y275-Y279 HydrophobicContact CE2-CG 3.58Å; Y275-Y279 HydrophobicContact CG-CD2 4.45Å; Y275-Y279 PolarHBondContact O-N 3.32Å; Y279-V312 HydrophobicContact CD1-CG1 3.59Å; Y279-V312 HydrophobicContact CE1-CG1 3.5Å; Y279-V312 VanDerWaalsContact CE1-CG1 3.5Å; Y279-V312 HydrophobicContact CG-CG1 4.39Å; Y279-A313 WeakPolarHBondContact CE1-O 3.33Å; Y279-A313 PolarHBondContact OH-O 3.49Å; Y279-I315 HydrophobicContact CE1-CG1 4.38Å |
| 280 | V | 91 | Very high | 90 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.7 | -47.5 | -179 | -171.3 | 0 | 0 | 0 | 0 | 112.6 | L230 R232 Y275 I276 C282 P288 T290 | L230-V280 HydrophobicContact CB-CG2 4.49Å; L230-V280 HydrophobicContact CD2-CG1 4.06Å; L230-V280 HydrophobicContact CD2-CG2 4.32Å; R232-V280 HydrophobicContact CG-CG2 4.38Å; Y275-V280 HydrophobicContact CD1-CG2 4.24Å; Y275-V280 HydrophobicContact CE1-CG2 3.92Å; I276-V280 HydrophobicContact CG2-CB 4.36Å; I276-V280 CarbonylContact O-C 3.47Å; I276-V280 WeakPolarHBondContact O-CA 3.3Å; I276-V280 WeakPolarHBondContact O-CB 3.41Å; I276-V280 PolarHBondContact O-N 3.12Å; I276-V280 VanDerWaalsContact O-N 3.1Å; V280-C282 PolarHBondContact O-N 3.22Å; V280-P288 HydrophobicContact CG1-CB 4.37Å; V280-T290 WeakPolarHBondContact O-CG2 3.31Å; V280-T290 PolarHBondContact O-OG1 3.2Å |
| 281 | T | 90.3 | Very high | 89.9 | Confident | 35 Ų | 35 | 60 Ų | 60 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -75.8 | 127.9 | 175.7 | 51.2 | 0 | 0 | 0 | 0 | 111.1 | I276 K277 S287 | I276-T281 HydrophobicContact CG2-CG2 4.11Å; I276-T281 PolarHBondContact O-N 3.34Å; I276-T281 PolarHBondContact O-OG1 2.99Å; K277-T281 WeakPolarHBondContact CA-OG1 3.38Å; K277-T281 PolarHBondContact O-OG1 3.48Å; T281-S287 WeakPolarHBondContact CA-O 3.31Å |
| 282 | C | 90.7 | Very high | 89.9 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | trans | -61 | 139.7 | 171.3 | -176.6 | 0 | 0 | 0 | 0 | 111 | V280 T284 C285 R286 S287 T290 C303 C306 S308 | V280-C282 PolarHBondContact O-N 3.22Å; C282-T284 VanDerWaalsContact C-N 3.31Å; C282-T284 PolarHBondContact O-N 3.02Å; C282-T284 PolarHBondContact SG-OG1 2.81Å; C282-C285 VanDerWaalsContact CB-SG 3.53Å; C282-R286 WeakPolarHBondContact O-CA 3.46Å; C282-R286 PolarHBondContact O-N 2.74Å; C282-S287 PolarHBondContact N-O 2.88Å; C282-T290 HydrophobicContact CB-CG2 3.79Å; C282-C303 HydrophobicContact CB-CB 4.04Å; C282-C306 VanDerWaalsContact SG-SG 3.67Å; C282-S308 PolarHBondContact SG-OG 3.33Å | ||
| 283 | H | 87.9 | Confident | 89.9 | Confident | 107 Ų | 107 | 64 Ų | 64 | 50% | 0.495 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -24.1 | -175.5 | -72.6 | 42.3 | 0 | 0 | 0 | 113.6 | ||
| 284 | T | 88.8 | Confident | 89.9 | Confident | 94 Ų | 94 | 62.3 Ų | 62.3 | 58% | 0.577 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -65.1 | 179.8 | 54.1 | 0 | 0 | 0 | 0 | 111.7 | C282 C306 | C282-T284 VanDerWaalsContact C-N 3.31Å; C282-T284 PolarHBondContact O-N 3.02Å; C282-T284 PolarHBondContact SG-OG1 2.81Å; T284-C306 PolarHBondContact OG1-SG 3.43Å; T284-C306 VanDerWaalsContact OG1-SG 3.34Å |
| 285 | C | 84.7 | Confident | 89.7 | Confident | 31 Ų | 31 | 60.4 Ų | 60.4 | 21% | 0.209 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -13.4 | -174.1 | 60.5 | 0 | 0 | 0 | 0 | 114.7 | M195 C282 S287 C303 T305 C306 | M195-C285 HydrophobicContact CE-CB 3.99Å; M195-C285 HydrophobicContact SD-CB 4.27Å; C282-C285 VanDerWaalsContact CB-SG 3.53Å; C285-S287 PolarHBondContact O-N 2.95Å; C285-S287 PolarHBondContact SG-OG 2.98Å; C285-S287 VanDerWaalsContact SG-OG 3.34Å; C285-C303 VanDerWaalsContact SG-SG 3.67Å; C285-T305 PolarHBondContact SG-OG1 2.96Å; C285-C306 HydrophobicContact CB-CB 4.39Å; C285-C306 VanDerWaalsContact SG-SG 3.6Å |
| 286 | R | 86.4 | Confident | 89.5 | Confident | 203 Ų | 203 | 66.3 Ų | 66.3 | 77% | 0.766 | 33% | 0.331 | S | S | * | . | trans | 61.5 | 12.6 | -177 | -50.8 | -177.8 | -174 | 174.9 | 3.6 | 115.9 | C282 | C282-R286 WeakPolarHBondContact O-CA 3.46Å; C282-R286 PolarHBondContact O-N 2.74Å | ||
| 287 | S | 84.9 | Confident | 89.3 | Confident | 13 Ų | 13 | 75.4 Ų | 75.4 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | trans | -66.2 | 148.3 | 170.6 | 70.6 | 0 | 0 | 0 | 0 | 110.9 | T281 C282 C285 D289 T305 | T281-S287 WeakPolarHBondContact CA-O 3.31Å; C282-S287 PolarHBondContact N-O 2.88Å; C285-S287 PolarHBondContact O-N 2.95Å; C285-S287 PolarHBondContact SG-OG 2.98Å; C285-S287 VanDerWaalsContact SG-OG 3.34Å; S287-D289 WeakPolarHBondContact CB-OD2 2.95Å; S287-T305 PolarHBondContact OG-OG1 3.37Å; S287-T305 VanDerWaalsContact OG-OG1 3.06Å | ||
| 288 | P | 86.8 | Confident | 89.3 | Confident | 42 Ų | 42 | 71.9 Ų | 71.9 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -72.1 | -20.5 | 171.2 | 31 | -34.9 | 0 | 0 | 0 | 112.4 | F203 V280 T290 | F203-P288 HydrophobicContact CD2-CB 4.11Å; F203-P288 HydrophobicContact CD2-CG 4.1Å; F203-P288 HydrophobicContact CE2-CB 4.41Å; V280-P288 HydrophobicContact CG1-CB 4.37Å; P288-T290 PolarHBondContact O-N 3.46Å; P288-T290 PolarHBondContact O-OG1 3.24Å |
| 289 | D | 88.6 | Confident | 89.4 | Confident | 79 Ų | 79 | 71 Ų | 71 | 42% | 0.422 | 34% | 0.344 | S | S | . | . | trans | -75.4 | 87.3 | -168.1 | -38.4 | -72.7 | 0 | 0 | 0 | 110.8 | S287 C303 E304 T305 | S287-D289 WeakPolarHBondContact CB-OD2 2.95Å; D289-C303 PolarHBondContact O-SG 3.3Å; D289-E304 PolarHBondContact O-N 3.34Å; D289-T305 HydrophobicContact CB-CG2 4.4Å | ||
| 290 | T | 91.4 | Very high | 89.4 | Confident | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 144.3 | -172.9 | 61.2 | 0 | 0 | 0 | 0 | 110.2 | R232 V280 C282 P288 L301 Q302 C303 | R232-T290 PolarHBondContact NH1-O 3.06Å; R232-T290 PolarHBondContact NH2-O 3.23Å; R232-T290 PolarHBondContact NH2-OG1 2.99Å; V280-T290 WeakPolarHBondContact O-CG2 3.31Å; V280-T290 PolarHBondContact O-OG1 3.2Å; C282-T290 HydrophobicContact CB-CG2 3.79Å; P288-T290 PolarHBondContact O-N 3.46Å; P288-T290 PolarHBondContact O-OG1 3.24Å; T290-L301 HydrophobicContact CG2-CD1 4.39Å; T290-L301 HydrophobicContact CG2-CG 4.34Å; T290-L301 WeakPolarHBondContact OG1-CD1 3.18Å; T290-Q302 CarbonylContact C-O 3.58Å; T290-Q302 VanDerWaalsContact CA-O 3.26Å; T290-Q302 WeakPolarHBondContact CA-O 3.24Å; T290-C303 HydrophobicContact CG2-CB 3.93Å |
| 291 | I | 92.3 | Very high | 89.5 | Confident | 76 Ų | 76 | 73.1 Ų | 73.1 | 39% | 0.39 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 137.4 | 173 | -61.3 | 168 | 0 | 0 | 0 | 108.9 | Q293 Q302 E304 | I291-Q293 HydrophobicContact CG2-CG 3.93Å; I291-Q302 PolarHBondContact N-O 2.93Å; I291-Q302 PolarHBondContact O-N 2.98Å; I291-E304 HydrophobicContact CD1-CG 4.47Å; I291-E304 VanDerWaalsContact CD1-OE1 3.3Å; I291-E304 WeakPolarHBondContact CD1-OE1 3.24Å; I291-E304 VanDerWaalsContact CG1-OE1 3.22Å; I291-E304 WeakPolarHBondContact CG1-OE1 3.27Å |
| 292 | L | 92.3 | Very high | 89.7 | Confident | 29 Ų | 29 | 73.5 Ų | 73.5 | 15% | 0.152 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 101.9 | 170.3 | -167 | 75.5 | 0 | 0 | 0 | 110.2 | Y299 L301 | L292-Y299 HydrophobicContact CD2-CD1 4.08Å; L292-Y299 HydrophobicContact CG-CD1 4.19Å; L292-L301 HydrophobicContact CD1-CB 4.48Å; L292-L301 HydrophobicContact CD1-CD1 4.19Å |
| 293 | Q | 91.7 | Very high | 89.7 | Confident | 65 Ų | 65 | 73.5 Ų | 73.5 | 30% | 0.304 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 160.6 | 173.6 | -64 | -177.1 | -12.9 | 0 | 0 | 110.6 | I291 Y299 F300 | I291-Q293 HydrophobicContact CG2-CG 3.93Å; Q293-Y299 WeakPolarHBondContact O-CA 3.16Å; Q293-F300 PolarHBondContact N-O 3.1Å; Q293-F300 PolarHBondContact O-N 3.29Å |
| 294 | K | 89.9 | Confident | 89.8 | Confident | 126 Ų | 126 | 73.6 Ų | 73.6 | 55% | 0.548 | 35% | 0.354 | S | S | . | . | trans | -134.9 | 85.9 | -177.3 | -172.4 | -151.7 | 165.5 | -163.9 | 0 | 111.4 | T296 L298 Y299 | K294-T296 WeakPolarHBondContact CE-O 3.37Å; K294-L298 WeakPolarHBondContact CG-O 3.46Å; K294-Y299 HydrophobicContact CB-CD1 3.74Å; K294-Y299 HydrophobicContact CB-CE1 3.76Å; K294-Y299 HydrophobicContact CD-CE1 3.96Å; K294-Y299 HydrophobicContact CG-CD1 3.76Å; K294-Y299 HydrophobicContact CG-CE1 3.55Å | ||
| 295 | D | 89.2 | Confident | 89.7 | Confident | 79 Ų | 79 | 70.4 Ų | 70.4 | 42% | 0.422 | 33% | 0.334 | S | S | . | . | trans | -86.2 | 118.3 | 175.2 | -58.3 | -38.8 | 0 | 0 | 0 | 110.5 | R297 L298 F300 | D295-R297 PolarHBondContact O-N 3.44Å; D295-L298 PolarHBondContact N-O 2.95Å; D295-L298 PolarHBondContact O-N 2.85Å; D295-F300 HydrophobicContact CB-CD2 3.92Å; D295-F300 HydrophobicContact CB-CE2 3.9Å | ||
| 296 | T | 88.5 | Confident | 89.8 | Confident | 125 Ų | 125 | 71.4 Ų | 71.4 | 77% | 0.767 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | -99.2 | -178.4 | 71.5 | 0 | 0 | 0 | 0 | 114.2 | K294 | K294-T296 WeakPolarHBondContact CE-O 3.37Š|
| 297 | R | 86.6 | Confident | 89.8 | Confident | 224 Ų | 224 | 68.4 Ų | 68.4 | 85% | 0.845 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | -10.9 | -174.8 | -60.1 | -177 | -178.4 | -175.6 | 2 | 113.5 | D295 | D295-R297 PolarHBondContact O-N 3.44Š|
| 298 | L | 90.6 | Very high | 90.1 | Very high | 82 Ų | 82 | 69.1 Ų | 69.1 | 43% | 0.429 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -106.9 | 166.5 | -177.5 | -61.3 | 179.4 | 0 | 0 | 0 | 110.6 | K294 D295 F300 | K294-L298 WeakPolarHBondContact CG-O 3.46Å; D295-L298 PolarHBondContact N-O 2.95Å; D295-L298 PolarHBondContact O-N 2.85Å; L298-F300 HydrophobicContact CB-CE2 3.95Å; L298-F300 HydrophobicContact CB-CZ 4.37Å; L298-F300 HydrophobicContact CD1-CZ 4.37Å |
| 299 | Y | 92.1 | Very high | 90.3 | Very high | 62 Ų | 62 | 75 Ų | 75 | 24% | 0.243 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 137.3 | 169.1 | -67.6 | -80 | 0 | 0 | 0 | 109.2 | H236 L292 Q293 K294 V312 | H236-Y299 AromaticContact CD2-CE1 3.89Å; H236-Y299 AromaticContact CD2-CZ 3.79Å; L292-Y299 HydrophobicContact CD2-CD1 4.08Å; L292-Y299 HydrophobicContact CG-CD1 4.19Å; Q293-Y299 WeakPolarHBondContact O-CA 3.16Å; K294-Y299 HydrophobicContact CB-CD1 3.74Å; K294-Y299 HydrophobicContact CB-CE1 3.76Å; K294-Y299 HydrophobicContact CD-CE1 3.96Å; K294-Y299 HydrophobicContact CG-CD1 3.76Å; K294-Y299 HydrophobicContact CG-CE1 3.55Å; Y299-V312 PolarHBondContact O-N 3.03Å |
| 300 | F | 93.1 | Very high | 90.4 | Very high | 56 Ų | 56 | 72.8 Ų | 72.8 | 25% | 0.246 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 123.5 | 176.5 | -69 | -86.6 | 0 | 0 | 0 | 108.7 | Q293 D295 L298 C310 | Q293-F300 PolarHBondContact N-O 3.1Å; Q293-F300 PolarHBondContact O-N 3.29Å; D295-F300 HydrophobicContact CB-CD2 3.92Å; D295-F300 HydrophobicContact CB-CE2 3.9Å; L298-F300 HydrophobicContact CB-CE2 3.95Å; L298-F300 HydrophobicContact CB-CZ 4.37Å; L298-F300 HydrophobicContact CD1-CZ 4.37Å; F300-C310 WeakPolarHBondContact CA-O 3.48Å |
| 301 | L | 92.8 | Very high | 90.4 | Very high | 2 Ų | 2 | 76.8 Ų | 76.8 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 108.6 | 171.7 | -171.7 | 72.3 | 0 | 0 | 0 | 107.3 | R232 T290 L292 C310 V312 | R232-L301 VanDerWaalsContact NH2-CD1 3.33Å; T290-L301 HydrophobicContact CG2-CD1 4.39Å; T290-L301 HydrophobicContact CG2-CG 4.34Å; T290-L301 WeakPolarHBondContact OG1-CD1 3.18Å; L292-L301 HydrophobicContact CD1-CB 4.48Å; L292-L301 HydrophobicContact CD1-CD1 4.19Å; L301-C310 PolarHBondContact N-O 3.26Å; L301-C310 PolarHBondContact O-N 3.39Å; L301-V312 HydrophobicContact CB-CG2 3.64Å; L301-V312 HydrophobicContact CD2-CG2 4.41Å |
| 302 | Q | 93.4 | Very high | 90.3 | Very high | 44 Ų | 44 | 73.6 Ų | 73.6 | 21% | 0.206 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 125.3 | 172.2 | -178.9 | 166.8 | -27.6 | 0 | 0 | 108.5 | T290 I291 S308 R309 | T290-Q302 CarbonylContact C-O 3.58Å; T290-Q302 VanDerWaalsContact CA-O 3.26Å; T290-Q302 WeakPolarHBondContact CA-O 3.24Å; I291-Q302 PolarHBondContact N-O 2.93Å; I291-Q302 PolarHBondContact O-N 2.98Å; Q302-S308 WeakPolarHBondContact CA-O 3.43Å; Q302-R309 HydrophobicContact CB-CG 4.25Å; Q302-R309 HydrophobicContact CG-CG 4.14Å |
| 303 | C | 92.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 75.2 Ų | 75.2 | 1% | 0.007 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 144.2 | 176.4 | -174.1 | 0 | 0 | 0 | 0 | 111.4 | C282 C285 D289 T290 T305 C306 H307 S308 | C282-C303 HydrophobicContact CB-CB 4.04Å; C285-C303 VanDerWaalsContact SG-SG 3.67Å; D289-C303 PolarHBondContact O-SG 3.3Å; T290-C303 HydrophobicContact CG2-CB 3.93Å; C303-T305 PolarHBondContact SG-OG1 2.85Å; C303-C306 VanDerWaalsContact CB-SG 3.59Å; C303-H307 WeakPolarHBondContact O-CA 3.47Å; C303-H307 PolarHBondContact O-N 3.18Å; C303-S308 PolarHBondContact N-O 2.91Å |
| 304 | E | 89.1 | Confident | 90.1 | Very high | 110 Ų | 110 | 74.2 Ų | 74.2 | 51% | 0.514 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -86 | -36.7 | 178.6 | -64.9 | 179.5 | -163.9 | 0 | 0 | 111.9 | D289 I291 H307 | D289-E304 PolarHBondContact O-N 3.34Å; I291-E304 HydrophobicContact CD1-CG 4.47Å; I291-E304 VanDerWaalsContact CD1-OE1 3.3Å; I291-E304 WeakPolarHBondContact CD1-OE1 3.24Å; I291-E304 VanDerWaalsContact CG1-OE1 3.22Å; I291-E304 WeakPolarHBondContact CG1-OE1 3.27Å; E304-H307 PolarHBondContact O-CE1 3.44Å; E304-H307 PolarHBondContact O-ND1 3.38Å; E304-H307 VanDerWaalsContact O-ND1 3.11Å |
| 305 | T | 86.9 | Confident | 90.1 | Very high | 26 Ų | 26 | 70 Ų | 70 | 16% | 0.16 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -70.7 | -54.5 | -179.9 | 59 | 0 | 0 | 0 | 0 | 112 | N192 C285 S287 D289 C303 | N192-T305 WeakPolarHBondContact OD1-CA 3.48Å; N192-T305 VanDerWaalsContact OD1-CB 3.3Å; N192-T305 WeakPolarHBondContact OD1-CB 3.24Å; N192-T305 WeakPolarHBondContact OD1-CG2 3.31Å; C285-T305 PolarHBondContact SG-OG1 2.96Å; S287-T305 PolarHBondContact OG-OG1 3.37Å; S287-T305 VanDerWaalsContact OG-OG1 3.06Å; D289-T305 HydrophobicContact CB-CG2 4.4Å; C303-T305 PolarHBondContact SG-OG1 2.85Å |
| 306 | C | 86.5 | Confident | 90 | Very high | 52 Ų | 52 | 75 Ų | 75 | 35% | 0.351 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -100.1 | 1.3 | -175.3 | 71.9 | 0 | 0 | 0 | 0 | 114.9 | C282 T284 C285 C303 S308 | C282-C306 VanDerWaalsContact SG-SG 3.67Å; T284-C306 PolarHBondContact OG1-SG 3.43Å; T284-C306 VanDerWaalsContact OG1-SG 3.34Å; C285-C306 HydrophobicContact CB-CB 4.39Å; C285-C306 VanDerWaalsContact SG-SG 3.6Å; C303-C306 VanDerWaalsContact CB-SG 3.59Å; C306-S308 PolarHBondContact O-N 2.86Å; C306-S308 PolarHBondContact SG-OG 2.73Å |
| 307 | H | 87.8 | Confident | 89.5 | Confident | 140 Ų | 140 | 73 Ų | 73 | 65% | 0.648 | 37% | 0.374 | S | S | * | . | trans | 58.1 | 5.3 | 178 | -69.6 | 65.8 | 0 | 0 | 0 | 116.2 | C303 E304 | C303-H307 WeakPolarHBondContact O-CA 3.47Å; C303-H307 PolarHBondContact O-N 3.18Å; E304-H307 PolarHBondContact O-CE1 3.44Å; E304-H307 PolarHBondContact O-ND1 3.38Å; E304-H307 VanDerWaalsContact O-ND1 3.11Å | ||
| 308 | S | 90 | Very high | 89 | Confident | 29 Ų | 29 | 64.9 Ų | 64.9 | 20% | 0.203 | 36% | 0.361 | C | S | . | . | trans | -66.2 | 141 | -179.9 | 71 | 0 | 0 | 0 | 0 | 112 | C282 Q302 C303 C306 | C282-S308 PolarHBondContact SG-OG 3.33Å; Q302-S308 WeakPolarHBondContact CA-O 3.43Å; C303-S308 PolarHBondContact N-O 2.91Å; C306-S308 PolarHBondContact O-N 2.86Å; C306-S308 PolarHBondContact SG-OG 2.73Å | ||
| 309 | R | 91.3 | Very high | 88.4 | Confident | 166 Ų | 166 | 70.2 Ų | 70.2 | 63% | 0.626 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 116.5 | 168.3 | -72.8 | 178.6 | 164.3 | -173.5 | -10.9 | 110.2 | Q302 | Q302-R309 HydrophobicContact CB-CG 4.25Å; Q302-R309 HydrophobicContact CG-CG 4.14Å |
| 310 | C | 90.8 | Very high | 87.5 | Confident | 31 Ų | 31 | 72.1 Ų | 72.1 | 21% | 0.209 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129 | 175.5 | -59.2 | 0 | 0 | 0 | 0 | 109.9 | F300 L301 | F300-C310 WeakPolarHBondContact CA-O 3.48Å; L301-C310 PolarHBondContact N-O 3.26Å; L301-C310 PolarHBondContact O-N 3.39Å |
| 311 | S | 91.6 | Very high | 86.2 | Confident | 88 Ų | 88 | 72.1 Ų | 72.1 | 62% | 0.615 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 126.9 | 168 | 53.1 | 0 | 0 | 0 | 0 | 109.8 | ||
| 312 | V | 90.8 | Very high | 85.1 | Confident | 9 Ų | 9 | 75.5 Ų | 75.5 | 6% | 0.055 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 147.6 | 178 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | E278 Y279 Y299 L301 S314 | E278-V312 HydrophobicContact CG-CG1 4.45Å; Y279-V312 HydrophobicContact CD1-CG1 3.59Å; Y279-V312 HydrophobicContact CE1-CG1 3.5Å; Y279-V312 VanDerWaalsContact CE1-CG1 3.5Å; Y279-V312 HydrophobicContact CG-CG1 4.39Å; Y299-V312 PolarHBondContact O-N 3.03Å; L301-V312 HydrophobicContact CB-CG2 3.64Å; L301-V312 HydrophobicContact CD2-CG2 4.41Å; V312-S314 PolarHBondContact O-N 2.85Å |
| 313 | A | 89.6 | Confident | 84.1 | Confident | 62 Ų | 62 | 78.5 Ų | 78.5 | 51% | 0.512 | 45% | 0.445 | S | S | . | . | trans | -55.3 | 135.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y279 | Y279-A313 WeakPolarHBondContact CE1-O 3.33Å; Y279-A313 PolarHBondContact OH-O 3.49Å | ||
| 314 | S | 89.9 | Confident | 83.1 | Confident | 45 Ų | 45 | 80.4 Ų | 80.4 | 32% | 0.315 | 46% | 0.464 | S | S | . | . | trans | -70.6 | 139.5 | 170.6 | 54.1 | 0 | 0 | 0 | 0 | 110.2 | V312 K316 | V312-S314 PolarHBondContact O-N 2.85Å; S314-K316 PolarHBondContact O-N 3.32Å | ||
| 315 | I | 90.1 | Very high | 82.1 | Confident | 38 Ų | 38 | 82 Ų | 82 | 20% | 0.195 | 47% | 0.47 | C | S | . | . | trans | -63.6 | 98.2 | 178.9 | -57 | 167.6 | 0 | 0 | 0 | 109.4 | H236 A239 F240 A243 Y279 A317 | H236-I315 VanDerWaalsContact CE1-CD1 3.45Å; H236-I315 WeakPolarHBondContact CE1-CD1 3.29Å; H236-I315 WeakPolarHBondContact NE2-CD1 3.35Å; H236-I315 WeakPolarHBondContact O-CD1 3.26Å; A239-I315 HydrophobicContact CB-CD1 4.11Å; F240-I315 HydrophobicContact CB-CD1 3.83Å; F240-I315 HydrophobicContact CD2-CD1 4.48Å; F240-I315 HydrophobicContact CD2-CG1 4.33Å; A243-I315 HydrophobicContact CB-CG2 3.91Å; Y279-I315 HydrophobicContact CE1-CG1 4.38Å; I315-A317 PolarHBondContact O-N 3.48Å | ||
| 316 | K | 85.5 | Confident | 81.1 | Confident | 183 Ų | 183 | 89.4 Ų | 89.4 | 80% | 0.796 | 50% | 0.495 | S | S | * | . | trans | -81.5 | 100.5 | 171.3 | -67.2 | 175.8 | -173.9 | 174.3 | 0 | 108.3 | S314 G318 | S314-K316 PolarHBondContact O-N 3.32Å; K316-G318 PolarHBondContact O-N 2.98Å; K316-G318 VanDerWaalsContact O-N 3.14Å | ||
| 317 | A | 79.4 | Confident | 80.4 | Confident | 82 Ų | 82 | 89.6 Ų | 89.6 | 68% | 0.678 | 50% | 0.5 | S | S | * | . | trans | -59 | 117.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | I315 | I315-A317 PolarHBondContact O-N 3.48Š| ||
| 318 | G | 75.2 | Confident | 79.9 | Confident | 55 Ų | 55 | 89.3 Ų | 89.3 | 57% | 0.567 | 50% | 0.499 | S | S | * | . | trans | -61.3 | 160.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | K316 Q320 | K316-G318 PolarHBondContact O-N 2.98Å; K316-G318 VanDerWaalsContact O-N 3.14Å; G318-Q320 PolarHBondContact O-N 2.69Å | ||
| 319 | F | 77.8 | Confident | 79.4 | Confident | 193 Ų | 193 | 93.6 Ų | 93.6 | 85% | 0.846 | 52% | 0.519 | S | S | * | . | trans | -63.2 | 97.4 | -178.7 | 179.1 | -99 | 0 | 0 | 0 | 111.6 | A321 | F319-A321 HydrophobicContact CD1-CB 4.46Å; F319-A321 HydrophobicContact CE1-CB 4.1Å; F319-A321 PolarHBondContact O-N 2.87Å | ||
| 320 | Q | 73.1 | Confident | 78.9 | Confident | 102 Ų | 102 | 95.1 Ų | 95.1 | 48% | 0.477 | 53% | 0.525 | S | S | . | . | trans | -76.8 | 95.5 | 177.6 | -173.2 | 173.1 | 76.1 | 0 | 0 | 109.8 | G246 T247 G318 V322 | G246-Q320 PolarHBondContact O-NE2 3.44Å; T247-Q320 VanDerWaalsContact C-NE2 3.26Å; T247-Q320 PolarHBondContact O-NE2 2.95Å; G318-Q320 PolarHBondContact O-N 2.69Å; Q320-V322 WeakPolarHBondContact O-CG2 3.23Å; Q320-V322 PolarHBondContact O-N 3.09Å; Q320-V322 VanDerWaalsContact O-N 3.11Å | ||
| 321 | A | 67.6 | Low | 78.4 | Confident | 57 Ų | 57 | 97.3 Ų | 97.3 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | trans | -56.1 | 115.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F319 T323 | F319-A321 HydrophobicContact CD1-CB 4.46Å; F319-A321 HydrophobicContact CE1-CB 4.1Å; F319-A321 PolarHBondContact O-N 2.87Å; A321-T323 HydrophobicContact CB-CG2 4.23Å; A321-T323 PolarHBondContact O-N 2.77Å | ||
| 322 | V | 69.1 | Low | 78.1 | Confident | 73 Ų | 73 | 101.6 Ų | 101.6 | 44% | 0.442 | 55% | 0.553 | S | S | . | * | trans | -80.4 | 46.3 | -171.6 | -155.9 | 0 | 0 | 0 | 0 | 112.7 | Q320 G324 K325 R326 | Q320-V322 WeakPolarHBondContact O-CG2 3.23Å; Q320-V322 PolarHBondContact O-N 3.09Å; Q320-V322 VanDerWaalsContact O-N 3.11Å; V322-G324 PolarHBondContact O-N 2.86Å; V322-K325 HydrophobicContact CG1-CB 3.73Å; V322-K325 HydrophobicContact CG1-CD 3.72Å; V322-K325 HydrophobicContact CG1-CG 3.68Å; V322-R326 WeakPolarHBondContact O-CG 3.34Å; V322-R326 PolarHBondContact O-N 2.85Å | ||
| 323 | T | 71.4 | Confident | 77.6 | Confident | 106 Ų | 106 | 105.2 Ų | 105.2 | 65% | 0.65 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -57.5 | -48.8 | -177.4 | 54.5 | 0 | 0 | 0 | 0 | 111.6 | A321 K325 R326 A327 | A321-T323 HydrophobicContact CB-CG2 4.23Å; A321-T323 PolarHBondContact O-N 2.77Å; T323-K325 PolarHBondContact O-N 3.21Å; T323-R326 PolarHBondContact O-N 2.86Å; T323-A327 WeakPolarHBondContact O-CB 3.39Å; T323-A327 PolarHBondContact O-N 2.97Å |
| 324 | G | 70.9 | Confident | 76.5 | Confident | 41 Ų | 41 | 111.9 Ų | 111.9 | 42% | 0.423 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -59 | -47.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V322 A327 Q328 | V322-G324 PolarHBondContact O-N 2.86Å; G324-A327 PolarHBondContact O-N 3.3Å; G324-Q328 WeakPolarHBondContact O-CB 3.22Å; G324-Q328 WeakPolarHBondContact O-CG 3.43Å; G324-Q328 PolarHBondContact O-N 3.33Å |
| 325 | K | 68.6 | Low | 75.8 | Confident | 143 Ų | 143 | 115.2 Ų | 115.2 | 62% | 0.622 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.3 | -37.4 | 179.1 | -53.7 | -173.6 | -174.8 | 177.1 | 0 | 111.7 | V322 T323 Q328 L329 | V322-K325 HydrophobicContact CG1-CB 3.73Å; V322-K325 HydrophobicContact CG1-CD 3.72Å; V322-K325 HydrophobicContact CG1-CG 3.68Å; T323-K325 PolarHBondContact O-N 3.21Å; K325-Q328 PolarHBondContact O-N 3.33Å; K325-L329 WeakPolarHBondContact O-CB 3.29Å; K325-L329 VanDerWaalsContact O-CG 3.3Å; K325-L329 WeakPolarHBondContact O-CG 3.43Å; K325-L329 PolarHBondContact O-N 2.92Å |
| 326 | R | 65.2 | Low | 75 | Confident | 183 Ų | 183 | 119.3 Ų | 119.3 | 69% | 0.691 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.6 | -40.2 | 175.9 | -73.2 | -178.9 | 176 | -175.6 | -0.9 | 111.8 | V322 T323 L329 R330 | V322-R326 WeakPolarHBondContact O-CG 3.34Å; V322-R326 PolarHBondContact O-N 2.85Å; T323-R326 PolarHBondContact O-N 2.86Å; R326-L329 PolarHBondContact O-N 3.29Å; R326-R330 WeakPolarHBondContact O-CG 3.02Å; R326-R330 PolarHBondContact O-N 3.48Å; R326-R330 VanDerWaalsContact O-N 3.1Å |
| 327 | A | 72.1 | Confident | 74.5 | Confident | 56 Ų | 56 | 115.7 Ų | 115.7 | 46% | 0.463 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -64.5 | -44.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T323 G324 L329 R330 A331 | T323-A327 WeakPolarHBondContact O-CB 3.39Å; T323-A327 PolarHBondContact O-N 2.97Å; G324-A327 PolarHBondContact O-N 3.3Å; A327-L329 VanDerWaalsContact C-N 3.34Å; A327-L329 PolarHBondContact O-N 3.19Å; A327-R330 PolarHBondContact O-N 3.35Å; A327-A331 WeakPolarHBondContact O-CB 3.35Å; A327-A331 PolarHBondContact O-N 2.59Å |
| 328 | Q | 78.3 | Confident | 74.2 | Confident | 133 Ų | 133 | 117.7 Ų | 117.7 | 62% | 0.621 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.5 | -30.3 | 177.5 | -74.3 | 175.3 | -17.5 | 0 | 0 | 113.9 | G324 K325 K332 | G324-Q328 WeakPolarHBondContact O-CB 3.22Å; G324-Q328 WeakPolarHBondContact O-CG 3.43Å; G324-Q328 PolarHBondContact O-N 3.33Å; K325-Q328 PolarHBondContact O-N 3.33Å; Q328-K332 VanDerWaalsContact O-CG 3.32Å; Q328-K332 WeakPolarHBondContact O-CG 3.26Å; Q328-K332 PolarHBondContact O-N 2.98Å |
| 329 | L | 79.8 | Confident | 74.1 | Confident | 120 Ų | 120 | 121.6 Ų | 121.6 | 63% | 0.628 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -72.7 | -40.5 | 173.2 | -74.2 | 167.4 | 0 | 0 | 0 | 111.5 | K325 R326 A327 K332 A333 | K325-L329 WeakPolarHBondContact O-CB 3.29Å; K325-L329 VanDerWaalsContact O-CG 3.3Å; K325-L329 WeakPolarHBondContact O-CG 3.43Å; K325-L329 PolarHBondContact O-N 2.92Å; R326-L329 PolarHBondContact O-N 3.29Å; A327-L329 VanDerWaalsContact C-N 3.34Å; A327-L329 PolarHBondContact O-N 3.19Å; L329-K332 PolarHBondContact O-N 3.11Å; L329-A333 PolarHBondContact O-N 2.67Å |
| 330 | R | 81.1 | Confident | 73.9 | Confident | 198 Ų | 198 | 116.9 Ų | 116.9 | 75% | 0.747 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.2 | -45.2 | 172.7 | -73.3 | 176.1 | 173.7 | -175.6 | -4.5 | 111.8 | R326 A327 K332 A333 N334 | R326-R330 WeakPolarHBondContact O-CG 3.02Å; R326-R330 PolarHBondContact O-N 3.48Å; R326-R330 VanDerWaalsContact O-N 3.1Å; A327-R330 PolarHBondContact O-N 3.35Å; R330-K332 PolarHBondContact O-N 3.14Å; R330-A333 PolarHBondContact O-N 2.6Å; R330-N334 PolarHBondContact O-N 3.34Å |
| 331 | A | 80.2 | Confident | 73.9 | Confident | 77 Ų | 77 | 117.9 Ų | 117.9 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 10.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A327 | A327-A331 WeakPolarHBondContact O-CB 3.35Å; A327-A331 PolarHBondContact O-N 2.59Å |
| 332 | K | 84 | Confident | 74.4 | Confident | 178 Ų | 178 | 122.6 Ų | 122.6 | 77% | 0.774 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.4 | 2.8 | 169.7 | -76.5 | -175.8 | 171.8 | -161.8 | 0 | 112.7 | Q328 L329 R330 | Q328-K332 VanDerWaalsContact O-CG 3.32Å; Q328-K332 WeakPolarHBondContact O-CG 3.26Å; Q328-K332 PolarHBondContact O-N 2.98Å; L329-K332 PolarHBondContact O-N 3.11Å; R330-K332 PolarHBondContact O-N 3.14Å |
| 333 | A | 81.6 | Confident | 74.8 | Confident | 84 Ų | 84 | 126.8 Ų | 126.8 | 69% | 0.694 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | -4.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L329 R330 | L329-A333 PolarHBondContact O-N 2.67Å; R330-A333 PolarHBondContact O-N 2.6Å |
| 334 | N | 64.9 | Low | 75.1 | Confident | 202 Ų | 202 | 128.6 Ų | 128.6 | 100% | 1.08 | 67% | 0.671 | S | S | * | * | trans | -107.9 | 0 | 160.2 | -66 | 12.3 | 0 | 0 | 0 | 108 | R330 | R330-N334 PolarHBondContact O-N 3.34Š|
Retrieved 334 of 334 residues in 889 ms
(Link to these results)