| 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 | 36.7 | Very low | 39.5 | Very low | 234 Ų | 234 | 173.6 Ų | 173.6 | 100% | 1.153 | 86% | 0.859 | S | S | * | * | 0 | 97.7 | 0 | -141 | 151 | -163.3 | 0 | 0 | 107.2 | |||||
| 2 | E | 41.7 | Very low | 38.7 | Very low | 166 Ų | 166 | 175.8 Ų | 175.8 | 78% | 0.776 | 85% | 0.853 | S | S | * | * | trans | -62.6 | 139.8 | 178.2 | -63.4 | 160.9 | 148.2 | 0 | 0 | 109.7 | F4 | E2-F4 HydrophobicContact CB-CE2 4.15Š| ||
| 3 | R | 39.1 | Very low | 38.5 | Very low | 233 Ų | 233 | 175.6 Ų | 175.6 | 88% | 0.879 | 85% | 0.849 | S | S | * | * | trans | -132.4 | 108.5 | 164.4 | -71.9 | -168.4 | -178.4 | -178.2 | 2 | 109.9 | ||||
| 4 | F | 36.5 | Very low | 37.8 | Very low | 175 Ų | 175 | 167.3 Ų | 167.3 | 77% | 0.768 | 83% | 0.832 | S | S | * | * | trans | -64.5 | 138.2 | 171.5 | -66.7 | -98.4 | 0 | 0 | 0 | 110.9 | E2 | E2-F4 HydrophobicContact CB-CE2 4.15Š| ||
| 5 | V | 45.7 | Very low | 37.6 | Very low | 138 Ų | 138 | 172.5 Ų | 172.5 | 84% | 0.836 | 84% | 0.841 | S | S | * | * | trans | -105.9 | 111.9 | 163.5 | 178.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 6 | R | 38.8 | Very low | 37.3 | Very low | 237 Ų | 237 | 165.8 Ų | 165.8 | 89% | 0.894 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 134.2 | 169.7 | -85 | -179.5 | 171.9 | -172.5 | -2.3 | 109.4 | ||
| 7 | V | 38.6 | Very low | 36.9 | Very low | 131 Ų | 131 | 166.1 Ų | 166.1 | 79% | 0.794 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 132.6 | 165.2 | 178.1 | 0 | 0 | 0 | 0 | 108 | ||
| 8 | P | 48.2 | Very low | 36.8 | Very low | 119 Ų | 119 | 164.1 Ų | 164.1 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 147 | -175 | 32.6 | -31.8 | 0 | 0 | 0 | 113.2 | ||
| 9 | Y | 32.3 | Very low | 37 | Very low | 237 Ų | 237 | 162.3 Ų | 162.3 | 93% | 0.929 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -60 | 139.7 | 167.5 | -98.2 | -111.7 | 0 | 0 | 0 | 112.2 | ||
| 10 | G | 39.1 | Very low | 37.2 | Very low | 77 Ų | 77 | 160.6 Ų | 160.6 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | trans | -113.4 | 135.3 | 165 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 11 | L | 37.7 | Very low | 37.1 | Very low | 163 Ų | 163 | 161.3 Ų | 161.3 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | trans | -101.3 | 146.4 | -178.9 | -96.2 | 152.6 | 0 | 0 | 0 | 111.2 | ||||
| 12 | Y | 29.6 | Very low | 36.7 | Very low | 200 Ų | 200 | 153.7 Ų | 153.7 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | trans | 67.8 | 136.2 | 157.3 | -112 | -113.8 | 0 | 0 | 0 | 117.6 | ||||
| 13 | Q | 35.8 | Very low | 36.5 | Very low | 173 Ų | 173 | 154.7 Ų | 154.7 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | -176.1 | 135 | 56.5 | -151.3 | 151.9 | 35.2 | 0 | 0 | 104.9 | |||||
| 14 | G | 29.2 | Very low | 36.6 | Very low | 59 Ų | 59 | 149.5 Ų | 149.5 | 61% | 0.608 | 82% | 0.818 | S | S | * | * | 98.3 | 86.5 | 51.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 15 | Y | 35.5 | Very low | 36.2 | Very low | 246 Ų | 246 | 144.9 Ų | 144.9 | 97% | 0.965 | 82% | 0.819 | S | S | * | * | trans | -149.1 | 117.3 | 155.4 | -94.8 | -78.3 | 0 | 0 | 0 | 110.3 | ||||
| 16 | G | 31.6 | Very low | 36 | Very low | 65 Ų | 65 | 147 Ų | 147 | 67% | 0.67 | 83% | 0.825 | S | S | * | * | trans | -89.2 | 164 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 17 | N | 30.2 | Very low | 35.8 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -143.6 | 134.2 | 150.6 | -102.1 | -50.7 | 0 | 0 | 0 | 109.5 | ||||
| 18 | T | 35.7 | Very low | 35.4 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | trans | -80 | 146.6 | -168.7 | 42.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 19 | V | 41.1 | Very low | 34.9 | Very low | 131 Ų | 131 | 141 Ų | 141 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | -63.9 | 161.5 | 165.7 | -157.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 20 | P | 40.3 | Very low | 35 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | -127.4 | 146.5 | 125.9 | 19.7 | -1.9 | 0 | 0 | 0 | 114.8 | |||||
| 21 | L | 36.1 | Very low | 35 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -75.8 | 145.3 | -173 | -174.3 | 72.5 | 0 | 0 | 0 | 113 | ||||
| 22 | G | 28.6 | Very low | 35.1 | Very low | 74 Ų | 74 | 140.4 Ų | 140.4 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | 173.3 | 100.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 23 | Q | 36.6 | Very low | 35.3 | Very low | 187 Ų | 187 | 137.3 Ų | 137.3 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -81.8 | -175 | 165.5 | -73.5 | -169.6 | -39.4 | 0 | 0 | 111.1 | ||||
| 24 | P | 40.8 | Very low | 35.3 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | cis | -130.6 | 165.6 | -18.6 | 21.2 | 2.4 | 0 | 0 | 0 | 113.4 | ||||
| 25 | G | 28 | Very low | 35.6 | Very low | 78 Ų | 78 | 145.9 Ų | 145.9 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -155.1 | 106.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 26 | L | 41.3 | Very low | 36 | Very low | 182 Ų | 182 | 141.2 Ų | 141.2 | 95% | 0.953 | 80% | 0.799 | S | S | * | * | trans | -57.2 | 136.9 | 174.1 | -68.5 | 151.8 | 0 | 0 | 0 | 112.6 | ||||
| 27 | S | 34.5 | Very low | 36.2 | Very low | 124 Ų | 124 | 146.4 Ų | 146.4 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -161.8 | 115.9 | 143.1 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 28 | G | 31 | Very low | 36.7 | Very low | 71 Ų | 71 | 147.3 Ų | 147.3 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | 77 | 74.1 | 127.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | K30 | G28-K30 PolarHBondContact O-N 2.91Å; G28-K30 VanDerWaalsContact O-N 3.16Å | |||
| 29 | H | 37.5 | Very low | 37 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -66.4 | 103.1 | 153.7 | -175.5 | -91.9 | 0 | 0 | 0 | 109.5 | ||||
| 30 | K | 35.1 | Very low | 37.1 | Very low | 198 Ų | 198 | 143.8 Ų | 143.8 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -102.8 | 104.6 | 169.7 | -87.6 | -173 | 178.9 | -85.6 | 0 | 110.3 | G28 | G28-K30 PolarHBondContact O-N 2.91Å; G28-K30 VanDerWaalsContact O-N 3.16Å | ||
| 31 | Q | 38.3 | Very low | 37.3 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -71.6 | 137.1 | 158.4 | -82.8 | -92.5 | -23.4 | 0 | 0 | 109.4 | ||||
| 32 | P | 39.7 | Very low | 37.8 | Very low | 114 Ų | 114 | 142 Ų | 142 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | trans | -86.5 | 115 | 162.6 | 14.3 | 0.7 | 0 | 0 | 0 | 110.1 | ||||
| 33 | D | 34.4 | Very low | 38.5 | Very low | 135 Ų | 135 | 147.3 Ų | 147.3 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -68.9 | 117.7 | 173.3 | -153 | -2.6 | 0 | 0 | 0 | 109.3 | R35 | D33-R35 PolarHBondContact O-N 3.44Š| ||
| 34 | W | 35.9 | Very low | 39 | Very low | 221 Ų | 221 | 146.5 Ų | 146.5 | 84% | 0.837 | 81% | 0.806 | S | S | * | * | trans | -89.2 | 94.1 | 174 | 59 | -81.9 | 0 | 0 | 0 | 108.5 | ||||
| 35 | R | 34.4 | Very low | 38.8 | Very low | 191 Ų | 191 | 145.7 Ų | 145.7 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | trans | -117.6 | 107.2 | 165.8 | -70.7 | -154.3 | 179.3 | -90.6 | 0.3 | 111.3 | D33 | D33-R35 PolarHBondContact O-N 3.44Š| ||
| 36 | Q | 45.9 | Very low | 39.2 | Very low | 149 Ų | 149 | 153.2 Ų | 153.2 | 70% | 0.696 | 81% | 0.814 | S | S | * | * | trans | 32.3 | 113.6 | 136.3 | -56.4 | -179.1 | 25.9 | 0 | 0 | 117.4 | ||||
| 37 | N | 35.7 | Very low | 39.3 | Very low | 173 Ų | 173 | 150 Ų | 150 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | -135.9 | 111.1 | 147 | -115.1 | -42.6 | 0 | 0 | 0 | 109.5 | ||||
| 38 | M | 39 | Very low | 39.5 | Very low | 190 Ų | 190 | 147.1 Ų | 147.1 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | trans | -92.7 | 124.8 | 169.3 | -79.4 | -78.3 | -160.4 | 0 | 0 | 108 | ||||
| 39 | G | 43.6 | Very low | 40.3 | Very low | 68 Ų | 68 | 152 Ų | 152 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -154.2 | 139.7 | 169 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 40 | P | 42.8 | Very low | 40.5 | Very low | 119 Ų | 119 | 151.8 Ų | 151.8 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 151.8 | -170.9 | 32.1 | -33.6 | 0 | 0 | 0 | 112.6 | T42 | P40-T42 PolarHBondContact O-N 2.89Š|
| 41 | P | 44.6 | Very low | 40.9 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 117.4 | -177.5 | 32.9 | -29.7 | 0 | 0 | 0 | 111.1 | ||
| 42 | T | 45.7 | Very low | 40.9 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 123.5 | 169.4 | -47.5 | 0 | 0 | 0 | 0 | 109.8 | P40 | P40-T42 PolarHBondContact O-N 2.89Š|
| 43 | F | 43.6 | Very low | 41.2 | Very low | 187 Ų | 187 | 144.8 Ų | 144.8 | 82% | 0.82 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 151.2 | 171.5 | -100.3 | -112.4 | 0 | 0 | 0 | 111.9 | ||
| 44 | L | 46.3 | Very low | 41.9 | Very low | 169 Ų | 169 | 146 Ų | 146 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | 98.4 | 76.9 | 167.6 | -49.1 | -176.5 | 0 | 0 | 0 | 118 | ||||
| 45 | A | 36.8 | Very low | 41.9 | Very low | 109 Ų | 109 | 139 Ų | 139 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | trans | -158.3 | 130.2 | 141 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 46 | R | 36.3 | Very low | 42.2 | Very low | 236 Ų | 236 | 136.1 Ų | 136.1 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | trans | -110.1 | 168.4 | 174.3 | -149.8 | -157 | 171.9 | 167.2 | -2.6 | 108.5 | ||||
| 47 | P | 43.9 | Very low | 42.2 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | -110.3 | 106.6 | -86.9 | 34.9 | -18.7 | 0 | 0 | 0 | 111.4 | |||||
| 48 | G | 38.2 | Very low | 42.8 | Very low | 65 Ų | 65 | 137.4 Ų | 137.4 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | trans | -97.3 | 138 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | L50 | G48-L50 VanDerWaalsContact C-N 3.3Å; G48-L50 PolarHBondContact O-N 2.87Å | ||
| 49 | L | 48.5 | Very low | 43.5 | Very low | 173 Ų | 173 | 133.4 Ų | 133.4 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -57.7 | 83.1 | 177.9 | -112.2 | 150.2 | 0 | 0 | 0 | 111.5 | V51 | L49-V51 HydrophobicContact CD2-CG2 4.37Å; L49-V51 PolarHBondContact O-N 3.37Å | ||
| 50 | L | 42.4 | Very low | 44.1 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -91.2 | 94.5 | 165.6 | -80.1 | 164.4 | 0 | 0 | 0 | 107.8 | G48 P52 | G48-L50 VanDerWaalsContact C-N 3.3Å; G48-L50 PolarHBondContact O-N 2.87Å; L50-P52 WeakPolarHBondContact O-CD 3.43Å | ||
| 51 | V | 43.9 | Very low | 45.6 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 67% | 0.673 | 76% | 0.763 | S | S | * | * | trans | -60.9 | 123.8 | 162.4 | 175.4 | 0 | 0 | 0 | 0 | 107.2 | L49 A53 | L49-V51 HydrophobicContact CD2-CG2 4.37Å; L49-V51 PolarHBondContact O-N 3.37Å; V51-A53 PolarHBondContact O-N 3.02Å | ||
| 52 | P | 37.4 | Very low | 47.2 | Very low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | trans | -63.8 | 112.2 | 170 | -18.3 | 31.3 | 0 | 0 | 0 | 108.7 | L50 N54 | L50-P52 WeakPolarHBondContact O-CD 3.43Å; P52-N54 PolarHBondContact O-N 2.91Å | ||
| 53 | A | 46.5 | Very low | 48.6 | Very low | 94 Ų | 94 | 132.8 Ų | 132.8 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -74.9 | 51.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | V51 | V51-A53 PolarHBondContact O-N 3.02Š|
| 54 | N | 48 | Very low | 50.1 | Low | 160 Ų | 160 | 129.9 Ų | 129.9 | 86% | 0.856 | 73% | 0.731 | S | S | * | * | trans | -137.7 | 64.5 | 175.1 | -74.5 | -59 | 0 | 0 | 0 | 109.8 | P52 | P52-N54 PolarHBondContact O-N 2.91Š| ||
| 55 | A | 35.6 | Very low | 51.9 | Low | 74 Ų | 74 | 129.4 Ų | 129.4 | 61% | 0.612 | 72% | 0.717 | S | S | * | * | trans | -113.1 | 129.2 | 154 | 0 | 0 | 0 | 0 | 0 | 106.3 | D57 | A55-D57 VanDerWaalsContact C-N 3.3Å; A55-D57 PolarHBondContact O-N 2.93Å | ||
| 56 | P | 41.7 | Very low | 53.9 | Low | 130 Ų | 130 | 126.9 Ų | 126.9 | 84% | 0.844 | 70% | 0.696 | S | S | * | * | trans | -70.3 | 98.6 | 169.2 | 28.9 | -28.6 | 0 | 0 | 0 | 106.4 | Y58 | P56-Y58 PolarHBondContact O-N 3.42Š| ||
| 57 | D | 45.1 | Very low | 56.1 | Low | 150 Ų | 150 | 120.5 Ų | 120.5 | 80% | 0.802 | 68% | 0.676 | S | S | * | * | trans | -56.8 | 98 | 159.3 | -78 | -42.9 | 0 | 0 | 0 | 106.2 | A55 C59 | A55-D57 VanDerWaalsContact C-N 3.3Å; A55-D57 PolarHBondContact O-N 2.93Å; D57-C59 PolarHBondContact O-N 3.37Å | ||
| 58 | Y | 48.3 | Very low | 57.9 | Low | 200 Ų | 200 | 120.4 Ų | 120.4 | 78% | 0.784 | 67% | 0.669 | S | S | * | * | trans | -58.2 | 99.9 | 162 | -163.5 | -86.6 | 0 | 0 | 0 | 104.8 | P56 M60 | P56-Y58 PolarHBondContact O-N 3.42Å; Y58-M60 VanDerWaalsContact C-N 3.26Å; Y58-M60 HydrophobicContact CD1-CE 3.59Å; Y58-M60 HydrophobicContact CE1-CE 3.73Å; Y58-M60 PolarHBondContact O-N 3.27Å | ||
| 59 | C | 53.6 | Low | 59.8 | Low | 105 Ų | 105 | 123.6 Ų | 123.6 | 71% | 0.709 | 67% | 0.665 | S | S | * | * | trans | -56.5 | 91.7 | -172.8 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | D57 D61 | D57-C59 PolarHBondContact O-N 3.37Å; C59-D61 PolarHBondContact O-N 3.38Å | ||
| 60 | M | 56.8 | Low | 61.3 | Low | 115 Ų | 115 | 117.3 Ų | 117.3 | 57% | 0.567 | 64% | 0.638 | S | S | * | * | trans | -68.1 | 105.6 | 163.8 | -81.1 | -69.9 | 109.4 | 0 | 0 | 105.1 | Y58 | Y58-M60 VanDerWaalsContact C-N 3.26Å; Y58-M60 HydrophobicContact CD1-CE 3.59Å; Y58-M60 HydrophobicContact CE1-CE 3.73Å; Y58-M60 PolarHBondContact O-N 3.27Å | ||
| 61 | D | 75.1 | Confident | 63.2 | Low | 68 Ų | 68 | 113.5 Ų | 113.5 | 36% | 0.364 | 62% | 0.618 | S | S | . | * | trans | -36.3 | 120.3 | 173.2 | 173.8 | 16.9 | 0 | 0 | 0 | 109.8 | C59 Y63 K64 R65 | C59-D61 PolarHBondContact O-N 3.38Å; D61-Y63 PolarHBondContact O-N 3.48Å; D61-Y63 PolarHBondContact OD1-N 2.85Å; D61-K64 HydrophobicContact CB-CB 4.32Å; D61-K64 HydrophobicContact CB-CD 4.14Å; D61-K64 HydrophobicContact CB-CG 4.08Å; D61-K64 PolarHBondContact O-N 3.42Å; D61-R65 PolarHBondContact O-N 2.94Å; D61-R65 VanDerWaalsContact O-N 3.08Å | ||
| 62 | P | 77.5 | Confident | 64.7 | Low | 97 Ų | 97 | 112.7 Ų | 112.7 | 63% | 0.63 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -48.7 | -31.9 | -177.4 | -29.5 | 34.6 | 0 | 0 | 0 | 113.2 | A66 | P62-A66 PolarHBondContact O-N 2.87Å |
| 63 | Y | 74.4 | Confident | 66.4 | Low | 159 Ų | 159 | 110.1 Ų | 110.1 | 62% | 0.624 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.6 | -47.6 | 175.9 | -176.8 | -100.3 | 0 | 0 | 0 | 112.7 | D61 R65 A66 Q67 | D61-Y63 PolarHBondContact O-N 3.48Å; D61-Y63 PolarHBondContact OD1-N 2.85Å; Y63-R65 VanDerWaalsContact C-N 3.29Å; Y63-R65 PolarHBondContact O-N 2.92Å; Y63-A66 PolarHBondContact O-N 3.32Å; Y63-A66 VanDerWaalsContact O-N 3.15Å; Y63-Q67 PolarHBondContact O-N 2.92Å |
| 64 | K | 76.9 | Confident | 67.4 | Low | 125 Ų | 125 | 113.2 Ų | 113.2 | 54% | 0.543 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.6 | -35.8 | 176.5 | -66.1 | -177.1 | -175.6 | 176.7 | 0 | 111.9 | D61 Q67 L68 | D61-K64 HydrophobicContact CB-CB 4.32Å; D61-K64 HydrophobicContact CB-CD 4.14Å; D61-K64 HydrophobicContact CB-CG 4.08Å; D61-K64 PolarHBondContact O-N 3.42Å; K64-Q67 PolarHBondContact O-N 2.83Å; K64-L68 WeakPolarHBondContact O-CB 3.38Å; K64-L68 PolarHBondContact O-N 2.78Å |
| 65 | R | 82.8 | Confident | 68.4 | Low | 160 Ų | 160 | 112.3 Ų | 112.3 | 60% | 0.604 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.7 | -40.9 | 174.4 | -170.4 | 178.4 | -169.4 | 174.7 | 3.4 | 111.7 | D61 Y63 K69 | D61-R65 PolarHBondContact O-N 2.94Å; D61-R65 VanDerWaalsContact O-N 3.08Å; Y63-R65 VanDerWaalsContact C-N 3.29Å; Y63-R65 PolarHBondContact O-N 2.92Å; R65-K69 WeakPolarHBondContact O-CB 3.38Å; R65-K69 VanDerWaalsContact O-CG 3.29Å; R65-K69 WeakPolarHBondContact O-CG 3.16Å; R65-K69 PolarHBondContact O-N 3.27Å; R65-K69 VanDerWaalsContact O-N 3.15Å |
| 66 | A | 79.3 | Confident | 69.5 | Low | 56 Ų | 56 | 112.3 Ų | 112.3 | 46% | 0.463 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.4 | -42.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P62 Y63 K69 A70 | P62-A66 PolarHBondContact O-N 2.87Å; Y63-A66 PolarHBondContact O-N 3.32Å; Y63-A66 VanDerWaalsContact O-N 3.15Å; A66-K69 WeakPolarHBondContact O-CB 3.05Å; A66-K69 PolarHBondContact O-N 2.79Å; A66-A70 PolarHBondContact O-N 3.29Å |
| 67 | Q | 81.4 | Confident | 70.4 | Confident | 101 Ų | 101 | 110.6 Ų | 110.6 | 47% | 0.472 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.9 | -43.6 | 178.8 | -163.9 | 176.5 | 14.5 | 0 | 0 | 112 | Y63 K64 K69 A70 I71 | Y63-Q67 PolarHBondContact O-N 2.92Å; K64-Q67 PolarHBondContact O-N 2.83Å; Q67-K69 VanDerWaalsContact C-N 3.34Å; Q67-K69 PolarHBondContact O-N 3.09Å; Q67-A70 PolarHBondContact O-N 2.92Å; Q67-I71 HydrophobicContact CG-CD1 4.28Å; Q67-I71 WeakPolarHBondContact O-CG1 3.44Å; Q67-I71 PolarHBondContact O-N 3.2Å |
| 68 | L | 82.3 | Confident | 71 | Confident | 111 Ų | 111 | 107.9 Ų | 107.9 | 58% | 0.581 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.7 | -39.9 | 176.1 | -158.3 | 92.5 | 0 | 0 | 0 | 111.8 | K64 A70 I71 L72 | K64-L68 WeakPolarHBondContact O-CB 3.38Å; K64-L68 PolarHBondContact O-N 2.78Å; L68-A70 VanDerWaalsContact C-N 3.33Å; L68-A70 PolarHBondContact O-N 2.83Å; L68-I71 PolarHBondContact O-N 3.22Å; L68-L72 HydrophobicContact CD2-CD1 4.12Å; L68-L72 HydrophobicContact CG-CD1 4.24Å; L68-L72 WeakPolarHBondContact O-CB 3.48Å; L68-L72 VanDerWaalsContact O-CG 3.29Å; L68-L72 WeakPolarHBondContact O-CG 3.37Å; L68-L72 PolarHBondContact O-N 2.76Å |
| 69 | K | 77.5 | Confident | 71.2 | Confident | 132 Ų | 132 | 104 Ų | 104 | 57% | 0.574 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.7 | -40.5 | 174.6 | -78.3 | 176.2 | 177.6 | -176.6 | 0 | 112 | R65 A66 Q67 S73 | R65-K69 WeakPolarHBondContact O-CB 3.38Å; R65-K69 VanDerWaalsContact O-CG 3.29Å; R65-K69 WeakPolarHBondContact O-CG 3.16Å; R65-K69 PolarHBondContact O-N 3.27Å; R65-K69 VanDerWaalsContact O-N 3.15Å; A66-K69 WeakPolarHBondContact O-CB 3.05Å; A66-K69 PolarHBondContact O-N 2.79Å; Q67-K69 VanDerWaalsContact C-N 3.34Å; Q67-K69 PolarHBondContact O-N 3.09Å; K69-S73 PolarHBondContact O-N 2.88Å; K69-S73 VanDerWaalsContact O-N 3.08Å; K69-S73 PolarHBondContact O-OG 2.8Å |
| 70 | A | 80.4 | Confident | 71.1 | Confident | 42 Ų | 42 | 101.2 Ų | 101.2 | 35% | 0.347 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A66 Q67 L68 S73 Q74 | A66-A70 PolarHBondContact O-N 3.29Å; Q67-A70 PolarHBondContact O-N 2.92Å; L68-A70 VanDerWaalsContact C-N 3.33Å; L68-A70 PolarHBondContact O-N 2.83Å; A70-S73 PolarHBondContact O-OG 2.9Å; A70-Q74 WeakPolarHBondContact O-CG 3.42Å; A70-Q74 PolarHBondContact O-N 3.18Å |
| 71 | I | 82.4 | Confident | 70.6 | Confident | 83 Ų | 83 | 101.9 Ų | 101.9 | 43% | 0.426 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69 | -44.6 | 176.7 | -66.2 | 164.5 | 0 | 0 | 0 | 110.5 | Q67 L68 S73 Q74 M75 | Q67-I71 HydrophobicContact CG-CD1 4.28Å; Q67-I71 WeakPolarHBondContact O-CG1 3.44Å; Q67-I71 PolarHBondContact O-N 3.2Å; L68-I71 PolarHBondContact O-N 3.22Å; I71-S73 VanDerWaalsContact C-N 3.33Å; I71-S73 PolarHBondContact O-N 2.78Å; I71-Q74 PolarHBondContact O-N 3Å; I71-M75 HydrophobicContact CG2-CG 4.48Å; I71-M75 HydrophobicContact CG2-SD 3.8Å; I71-M75 WeakPolarHBondContact O-CG 3.08Å; I71-M75 PolarHBondContact O-N 3.36Å |
| 72 | L | 76.4 | Confident | 69.4 | Low | 94 Ų | 94 | 108.3 Ų | 108.3 | 49% | 0.492 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.4 | -34.3 | 179.8 | -71.8 | 169.8 | 0 | 0 | 0 | 112.8 | L68 N76 | L68-L72 HydrophobicContact CD2-CD1 4.12Å; L68-L72 HydrophobicContact CG-CD1 4.24Å; L68-L72 WeakPolarHBondContact O-CB 3.48Å; L68-L72 VanDerWaalsContact O-CG 3.29Å; L68-L72 WeakPolarHBondContact O-CG 3.37Å; L68-L72 PolarHBondContact O-N 2.76Å; L72-N76 PolarHBondContact O-N 2.89Å; L72-N76 VanDerWaalsContact O-N 3.1Å |
| 73 | S | 71.7 | Confident | 67.7 | Low | 57 Ų | 57 | 111.8 Ų | 111.8 | 40% | 0.399 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.5 | -30.2 | 176.5 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | K69 A70 I71 N76 | K69-S73 PolarHBondContact O-N 2.88Å; K69-S73 VanDerWaalsContact O-N 3.08Å; K69-S73 PolarHBondContact O-OG 2.8Å; A70-S73 PolarHBondContact O-OG 2.9Å; I71-S73 VanDerWaalsContact C-N 3.33Å; I71-S73 PolarHBondContact O-N 2.78Å; S73-N76 CarbonylContact O-C 3.59Å |
| 74 | Q | 68.4 | Low | 66 | Low | 159 Ų | 159 | 110 Ų | 110 | 74% | 0.743 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -75.4 | -38.4 | 175.3 | -71.7 | 176.8 | 40.4 | 0 | 0 | 112.2 | A70 I71 | A70-Q74 WeakPolarHBondContact O-CG 3.42Å; A70-Q74 PolarHBondContact O-N 3.18Å; I71-Q74 PolarHBondContact O-N 3Å |
| 75 | M | 68.2 | Low | 64.5 | Low | 140 Ų | 140 | 113.3 Ų | 113.3 | 69% | 0.69 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -78.6 | -21.6 | -179.3 | -65.2 | 178.9 | 76.2 | 0 | 0 | 113.1 | I71 | I71-M75 HydrophobicContact CG2-CG 4.48Å; I71-M75 HydrophobicContact CG2-SD 3.8Å; I71-M75 WeakPolarHBondContact O-CG 3.08Å; I71-M75 PolarHBondContact O-N 3.36Å |
| 76 | N | 59.9 | Low | 62.3 | Low | 74 Ų | 74 | 111 Ų | 111 | 40% | 0.396 | 60% | 0.603 | S | S | . | * | trans | -150.1 | 94.5 | 177.7 | -93 | -72.3 | 0 | 0 | 0 | 111.6 | L72 S73 S78 L79 | L72-N76 PolarHBondContact O-N 2.89Å; L72-N76 VanDerWaalsContact O-N 3.1Å; S73-N76 CarbonylContact O-C 3.59Å; N76-S78 PolarHBondContact O-N 3.29Å; N76-L79 HydrophobicContact CB-CB 3.98Å; N76-L79 HydrophobicContact CB-CD1 3.69Å; N76-L79 HydrophobicContact CB-CG 3.77Å; N76-L79 PolarHBondContact O-N 3.22Å | ||
| 77 | P | 60.5 | Low | 60.6 | Low | 95 Ų | 95 | 114.6 Ų | 114.6 | 62% | 0.617 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -62.3 | -17.4 | 177.2 | 21.5 | -30.6 | 0 | 0 | 0 | 113.6 | S80 | P77-S80 PolarHBondContact O-OG 2.94Š|
| 78 | S | 57 | Low | 59 | Low | 92 Ų | 92 | 116 Ų | 116 | 64% | 0.643 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -82.9 | -9.7 | 175.3 | 50.2 | 0 | 0 | 0 | 0 | 114.9 | N76 | N76-S78 PolarHBondContact O-N 3.29Š|
| 79 | L | 52.5 | Low | 57.7 | Low | 119 Ų | 119 | 118.6 Ų | 118.6 | 62% | 0.623 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -102.4 | 5.7 | 177.9 | -65.8 | -179.9 | 0 | 0 | 0 | 113.6 | N76 | N76-L79 HydrophobicContact CB-CB 3.98Å; N76-L79 HydrophobicContact CB-CD1 3.69Å; N76-L79 HydrophobicContact CB-CG 3.77Å; N76-L79 PolarHBondContact O-N 3.22Å |
| 80 | S | 52.3 | Low | 56.2 | Low | 47 Ų | 47 | 121 Ų | 121 | 33% | 0.329 | 65% | 0.65 | S | S | . | * | S | Bend | trans | -58.5 | 130.2 | 160.8 | 49.5 | 0 | 0 | 0 | 0 | 108 | P77 R82 | P77-S80 PolarHBondContact O-OG 2.94Å; S80-R82 PolarHBondContact O-N 3.17Å |
| 81 | P | 45.7 | Very low | 54.5 | Low | 128 Ų | 128 | 125 Ų | 125 | 83% | 0.831 | 67% | 0.671 | S | S | * | * | trans | -65.8 | 88.1 | 168 | -6 | 20.3 | 0 | 0 | 0 | 105.7 | L83 | P81-L83 PolarHBondContact O-N 2.82Š| ||
| 82 | R | 49.2 | Very low | 52.6 | Low | 204 Ų | 204 | 124.9 Ų | 124.9 | 77% | 0.77 | 69% | 0.69 | S | S | * | * | trans | -60.1 | 113.3 | 166.2 | -64.9 | -149.1 | 176.8 | -161.4 | 1.3 | 104.1 | S80 C84 | S80-R82 PolarHBondContact O-N 3.17Å; R82-C84 VanDerWaalsContact C-N 3.34Å; R82-C84 PolarHBondContact O-N 2.89Å | ||
| 83 | L | 42.9 | Very low | 51.5 | Low | 169 Ų | 169 | 125.6 Ų | 125.6 | 89% | 0.885 | 70% | 0.697 | S | S | * | * | trans | -45.7 | 111.8 | 159.6 | -122.4 | 88.6 | 0 | 0 | 0 | 104.6 | P81 K85 | P81-L83 PolarHBondContact O-N 2.82Å; L83-K85 VanDerWaalsContact C-N 3.33Å; L83-K85 PolarHBondContact O-N 2.8Å | ||
| 84 | C | 39 | Very low | 50.4 | Low | 123 Ų | 123 | 132 Ų | 132 | 83% | 0.831 | 72% | 0.721 | S | S | * | * | trans | -53.1 | 107 | 175.4 | -92.5 | 0 | 0 | 0 | 0 | 106.2 | R82 P86 | R82-C84 VanDerWaalsContact C-N 3.34Å; R82-C84 PolarHBondContact O-N 2.89Å; C84-P86 VanDerWaalsContact O-CD 3.31Å; C84-P86 WeakPolarHBondContact O-CD 3.48Å | ||
| 85 | K | 45.4 | Very low | 49.4 | Very low | 194 Ų | 194 | 130 Ų | 130 | 84% | 0.843 | 72% | 0.72 | S | S | * | * | trans | -60.3 | 117.6 | 164.3 | -125.7 | 124.1 | 176.5 | 178.3 | 0 | 104.1 | L83 N87 | L83-K85 VanDerWaalsContact C-N 3.33Å; L83-K85 PolarHBondContact O-N 2.8Å; K85-N87 PolarHBondContact O-N 2.92Å | ||
| 86 | P | 36.2 | Very low | 48.3 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 71% | 0.714 | 72% | 0.717 | S | S | * | * | trans | -57.2 | 117.5 | 174.2 | 22.2 | -29.6 | 0 | 0 | 0 | 107 | C84 T88 | C84-P86 VanDerWaalsContact O-CD 3.31Å; C84-P86 WeakPolarHBondContact O-CD 3.48Å; P86-T88 VanDerWaalsContact C-N 3.34Å; P86-T88 PolarHBondContact O-N 3.48Å | ||
| 87 | N | 43 | Very low | 47.7 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | -68.8 | 94.2 | 175.4 | 176.8 | 4.5 | 0 | 0 | 0 | 107.6 | K85 K89 | K85-N87 PolarHBondContact O-N 2.92Å; N87-K89 PolarHBondContact O-N 2.8Å; N87-K89 WeakPolarHBondContact OD1-CB 3.18Å; N87-K89 PolarHBondContact OD1-N 3.29Å; N87-K89 VanDerWaalsContact OD1-N 3.12Å | ||
| 88 | T | 47.8 | Very low | 46.8 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -82.9 | 73.9 | 165.4 | 54 | 0 | 0 | 0 | 0 | 108.5 | P86 | P86-T88 VanDerWaalsContact C-N 3.34Å; P86-T88 PolarHBondContact O-N 3.48Å | ||
| 89 | K | 54.6 | Low | 46.2 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | -113.3 | 95 | 158.4 | -88.4 | -174.2 | 167.7 | -173.7 | 0 | 108.4 | N87 | N87-K89 PolarHBondContact O-N 2.8Å; N87-K89 WeakPolarHBondContact OD1-CB 3.18Å; N87-K89 PolarHBondContact OD1-N 3.29Å; N87-K89 VanDerWaalsContact OD1-N 3.12Å | ||
| 90 | E | 46 | Very low | 45.6 | Very low | 182 Ų | 182 | 140.6 Ų | 140.6 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | 47.9 | 85.9 | 132.6 | -61.2 | 176.7 | -162.4 | 0 | 0 | 116.4 | ||||
| 91 | V | 45.8 | Very low | 45.2 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -114.6 | 97.6 | 142.5 | 178.9 | 0 | 0 | 0 | 0 | 105.9 | V93 | V91-V93 HydrophobicContact CG1-CG2 4.13Å; V91-V93 PolarHBondContact O-N 2.95Å | ||
| 92 | G | 42.6 | Very low | 45.5 | Very low | 80 Ų | 80 | 146.3 Ų | 146.3 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -67.9 | 96.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q94 | G92-Q94 PolarHBondContact O-N 2.76Š| ||
| 93 | V | 52.1 | Low | 45.2 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 66% | 0.655 | 80% | 0.796 | S | S | * | * | trans | -86.2 | 97.7 | 165.2 | 179.4 | 0 | 0 | 0 | 0 | 107 | V91 V95 | V91-V93 HydrophobicContact CG1-CG2 4.13Å; V91-V93 PolarHBondContact O-N 2.95Å; V93-V95 HydrophobicContact CG1-CG1 4.12Å; V93-V95 PolarHBondContact O-N 2.81Å | ||
| 94 | Q | 48.1 | Very low | 45.3 | Very low | 192 Ų | 192 | 144.2 Ų | 144.2 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -71.5 | 93.9 | 172.1 | -177.5 | 170.5 | -22.4 | 0 | 0 | 109 | G92 | G92-Q94 PolarHBondContact O-N 2.76Š| ||
| 95 | V | 48.5 | Very low | 45.9 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | trans | -99.2 | 115.6 | 164.7 | -83.5 | 0 | 0 | 0 | 0 | 108.3 | V93 | V93-V95 HydrophobicContact CG1-CG1 4.12Å; V93-V95 PolarHBondContact O-N 2.81Å | ||
| 96 | S | 44 | Very low | 46.3 | Very low | 89 Ų | 89 | 139.1 Ų | 139.1 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | trans | -62.7 | 125.6 | 174.9 | 21.7 | 0 | 0 | 0 | 0 | 109.8 | R98 | S96-R98 PolarHBondContact O-N 3.31Š| ||
| 97 | P | 47.8 | Very low | 47.3 | Very low | 134 Ų | 134 | 140.4 Ų | 140.4 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | trans | -73.1 | 95 | 175.6 | 28.6 | -31.1 | 0 | 0 | 0 | 108.3 | ||||
| 98 | R | 43.1 | Very low | 47.5 | Very low | 221 Ų | 221 | 136.4 Ų | 136.4 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -110 | 97.7 | 166.5 | -70 | -163.2 | 174.6 | -165.2 | 0.1 | 108.6 | S96 | S96-R98 PolarHBondContact O-N 3.31Š| ||
| 99 | V | 44.2 | Very low | 47.4 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | 58.7 | 110.7 | 151.8 | -178.2 | 0 | 0 | 0 | 0 | 115.9 | K101 | V99-K101 PolarHBondContact O-N 3Š| ||
| 100 | D | 40.3 | Very low | 46.9 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -50.4 | 105.4 | 172 | -65 | -62.3 | 0 | 0 | 0 | 112.1 | A102 | D100-A102 PolarHBondContact O-N 2.81Š| ||
| 101 | K | 42.5 | Very low | 46.8 | Very low | 198 Ų | 198 | 137 Ų | 137 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -87.2 | 92.6 | 161.2 | -159.5 | 165 | -175.3 | 173.7 | 0 | 106.8 | V99 V103 | V99-K101 PolarHBondContact O-N 3Å; K101-V103 PolarHBondContact O-N 3.29Å; K101-V103 VanDerWaalsContact O-N 3.08Å | ||
| 102 | A | 52.6 | Low | 46.5 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -55.3 | 113.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | D100 Q104 | D100-A102 PolarHBondContact O-N 2.81Å; A102-Q104 PolarHBondContact O-N 2.94Å | ||
| 103 | V | 43.2 | Very low | 46.3 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -82.5 | 104.4 | 167.1 | -178.7 | 0 | 0 | 0 | 0 | 106.6 | K101 C105 | K101-V103 PolarHBondContact O-N 3.29Å; K101-V103 VanDerWaalsContact O-N 3.08Å; V103-C105 PolarHBondContact O-N 3.11Å | ||
| 104 | Q | 44.9 | Very low | 45.5 | Very low | 193 Ų | 193 | 140.7 Ų | 140.7 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -63.1 | 97.4 | 175 | -174.6 | 171.7 | -40.9 | 0 | 0 | 109.5 | A102 | A102-Q104 PolarHBondContact O-N 2.94Š| ||
| 105 | C | 50.3 | Low | 44.8 | Very low | 88 Ų | 88 | 137.1 Ų | 137.1 | 60% | 0.595 | 79% | 0.789 | S | S | * | * | trans | -77.1 | 134 | 171.1 | 102.4 | 0 | 0 | 0 | 0 | 109.3 | V103 L107 | V103-C105 PolarHBondContact O-N 3.11Å; C105-L107 PolarHBondContact O-N 2.92Å | ||
| 106 | S | 54.4 | Low | 44.5 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 20.3 | -175.6 | 45.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 107 | L | 56.8 | Low | 44 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | 0.7 | -174.3 | -64.1 | 179.3 | 0 | 0 | 0 | 115.1 | C105 | C105-L107 PolarHBondContact O-N 2.92Š|
| 108 | G | 48.6 | Very low | 43.3 | Very low | 49 Ų | 49 | 144 Ų | 144 | 51% | 0.505 | 80% | 0.802 | S | S | . | * | trans | 63.3 | 165.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R110 | G108-R110 PolarHBondContact O-N 2.94Å; G108-R110 VanDerWaalsContact O-N 3.09Å | ||
| 109 | P | 44.2 | Very low | 42.8 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | trans | -71 | 107.9 | 178.6 | 26.9 | -30.3 | 0 | 0 | 0 | 109.7 | ||||
| 110 | R | 44.7 | Very low | 42.1 | Very low | 223 Ų | 223 | 138.8 Ų | 138.8 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | -101.9 | 106.7 | 166.3 | -72.1 | -170 | 173.6 | -129.5 | -1 | 109.1 | G108 L112 | G108-R110 PolarHBondContact O-N 2.94Å; G108-R110 VanDerWaalsContact O-N 3.09Å; R110-L112 PolarHBondContact O-N 3.2Å | ||
| 111 | T | 44.7 | Very low | 41.7 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | trans | -67.4 | 111.2 | 168.3 | -37.2 | 0 | 0 | 0 | 0 | 108.1 | S113 | T111-S113 PolarHBondContact O-N 2.83Š| ||
| 112 | L | 39.2 | Very low | 41.5 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -79.7 | 104.7 | 168.9 | -69.6 | 176.7 | 0 | 0 | 0 | 108.1 | R110 S114 | R110-L112 PolarHBondContact O-N 3.2Å; L112-S114 PolarHBondContact O-N 3.43Å | ||
| 113 | S | 37.2 | Very low | 41.3 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -68.4 | 105.6 | 170 | 25.9 | 0 | 0 | 0 | 0 | 109.7 | T111 C115 | T111-S113 PolarHBondContact O-N 2.83Å; S113-C115 PolarHBondContact O-N 3.39Å | ||
| 114 | S | 36.8 | Very low | 40.7 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -84.3 | 100 | 166.8 | 161 | 0 | 0 | 0 | 0 | 108.6 | L112 | L112-S114 PolarHBondContact O-N 3.43Š| ||
| 115 | C | 32.8 | Very low | 40.1 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -109.4 | 109.5 | 168.3 | -74.9 | 0 | 0 | 0 | 0 | 109.9 | S113 | S113-C115 PolarHBondContact O-N 3.39Š| ||
| 116 | S | 41.5 | Very low | 39.1 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -69 | 136.9 | 164.5 | 53.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 117 | P | 34.6 | Very low | 38.3 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | trans | -113.1 | 89.1 | 176.6 | 32.6 | -21.4 | 0 | 0 | 0 | 112.7 | ||||
| 118 | W | 32.2 | Very low | 37.5 | Very low | 262 Ų | 262 | 143.6 Ų | 143.6 | 99% | 0.992 | 80% | 0.795 | S | S | * | * | trans | -143.3 | 129.7 | 145.4 | -77.7 | 74.2 | 0 | 0 | 0 | 108.7 | ||||
| 119 | D | 32.8 | Very low | 36.7 | Very low | 176 Ų | 176 | 146.2 Ų | 146.2 | 94% | 0.941 | 81% | 0.812 | S | S | * | * | trans | -69.8 | 158.2 | -159.1 | -83.2 | -59.6 | 0 | 0 | 0 | 119.2 | ||||
| 120 | G | 30.3 | Very low | 36 | Very low | 71 Ų | 71 | 146.6 Ų | 146.6 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | trans | 165.4 | 84.8 | 148.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 121 | R | 31.6 | Very low | 35.3 | Very low | 249 Ų | 249 | 139.1 Ų | 139.1 | 94% | 0.94 | 81% | 0.808 | S | S | * | * | trans | 82.9 | 95.5 | 156 | -55.9 | -177.4 | -154.5 | -129.7 | 1.9 | 121.3 | ||||
| 122 | D | 37.9 | Very low | 34.6 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | 29.8 | 163.2 | 122.3 | -125.4 | -2.2 | 0 | 0 | 0 | 123.3 | |||||
| 123 | P | 47.7 | Very low | 34.1 | Very low | 101 Ų | 101 | 137 Ų | 137 | 66% | 0.656 | 80% | 0.802 | S | S | * | * | -126.5 | 167.9 | -65.3 | 26.5 | -7.8 | 0 | 0 | 0 | 114.5 | |||||
| 124 | R | 31.3 | Very low | 33.9 | Very low | 212 Ų | 212 | 136.9 Ų | 136.9 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | trans | 176.5 | 123.5 | 130 | -87.3 | -114.6 | 178.1 | -120.8 | -1 | 113.8 | ||||
| 125 | E | 31.7 | Very low | 34.7 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | 21.8 | 150.6 | 144.1 | -76 | 162.5 | 125.4 | 0 | 0 | 122 | ||||
| 126 | A | 30.8 | Very low | 34.5 | Very low | 81 Ų | 81 | 135.1 Ų | 135.1 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | cis | -172 | 148.3 | -5.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 127 | L | 37.1 | Very low | 34.2 | Very low | 165 Ų | 165 | 137.3 Ų | 137.3 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | 41.5 | 143.5 | 146.5 | -61 | 177 | 0 | 0 | 0 | 122.8 | ||||
| 128 | P | 40.4 | Very low | 33.9 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | -143.9 | 147.5 | 88.9 | 26.2 | -3.8 | 0 | 0 | 0 | 114.1 | |||||
| 129 | A | 30.6 | Very low | 34.1 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | 68.5 | 130.8 | 75.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 130 | C | 30.2 | Very low | 34.2 | Very low | 142 Ų | 142 | 134 Ų | 134 | 96% | 0.959 | 79% | 0.787 | S | S | * | * | trans | -113.3 | 163.2 | -158.6 | -164.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 131 | G | 29.2 | Very low | 34.4 | Very low | 65 Ų | 65 | 135.1 Ų | 135.1 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | trans | 133.1 | 152.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 132 | V | 30 | Very low | 34.8 | Very low | 136 Ų | 136 | 131 Ų | 131 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | cis | -169.9 | 134.9 | 3.1 | 144 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 133 | T | 29.9 | Very low | 34.6 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | 47.7 | 112.5 | 135.4 | -36.3 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 134 | S | 31.4 | Very low | 33.9 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | 62.4 | -178.7 | 127.4 | -43.1 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 135 | P | 54.6 | Low | 33.9 | Very low | 131 Ų | 131 | 135 Ų | 135 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | -134.9 | -175.1 | -96.3 | 41.7 | -21.2 | 0 | 0 | 0 | 115.8 | |||||
| 136 | G | 29.2 | Very low | 33.8 | Very low | 66 Ų | 66 | 136.4 Ų | 136.4 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | trans | 150.1 | 132.7 | 147.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 137 | T | 35.3 | Very low | 34 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 95% | 0.945 | 79% | 0.79 | S | S | * | * | trans | 95.6 | 128.4 | 130.5 | -17.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 138 | G | 28.1 | Very low | 33.7 | Very low | 68 Ų | 68 | 139.7 Ų | 139.7 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 125.3 | 90.9 | 140.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 139 | R | 35.9 | Very low | 33.3 | Very low | 214 Ų | 214 | 137 Ų | 137 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | 90.5 | 126 | 86.1 | -101.8 | -167.4 | 174.3 | -155.8 | 1.3 | 118.2 | |||||
| 140 | R | 35.1 | Very low | 33.5 | Very low | 201 Ų | 201 | 139.9 Ų | 139.9 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | trans | 93.7 | 115.8 | 138.1 | -86 | -174.2 | -177.4 | -172.5 | -0.8 | 124.6 | ||||
| 141 | S | 34.4 | Very low | 33.5 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | 76.4 | 110.9 | 125 | -56.2 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 142 | L | 39 | Very low | 33.8 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | 70.2 | 127.9 | 99 | -76.1 | 164 | 0 | 0 | 0 | 114.5 | |||||
| 143 | I | 34.6 | Very low | 33.8 | Very low | 164 Ų | 164 | 143.2 Ų | 143.2 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | -173.5 | 152.6 | 78.7 | -77.8 | 173.8 | 0 | 0 | 0 | 111.2 | |||||
| 144 | R | 32.7 | Very low | 34 | Very low | 229 Ų | 229 | 142 Ų | 142 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | -82.7 | 159.1 | 173.1 | -84.6 | 179.7 | 171.2 | -154.3 | -1.1 | 115.1 | ||||
| 145 | L | 32.2 | Very low | 34 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | 173 | 126.7 | 122.8 | -129.8 | 66.6 | 0 | 0 | 0 | 110 | |||||
| 146 | R | 29.3 | Very low | 32.7 | Very low | 183 Ų | 183 | 144.4 Ų | 144.4 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | 55.4 | 136.9 | 76.3 | -127.4 | -171.3 | 169 | 169.4 | -0.9 | 113.4 | |||||
| 147 | R | 34.5 | Very low | 33.2 | Very low | 182 Ų | 182 | 149.1 Ų | 149.1 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | cis | -177.2 | 150.3 | 40.2 | 178.8 | 177.9 | -79.8 | -168.7 | 0.6 | 113.6 | ||||
| 148 | D | 32.1 | Very low | 33.3 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | trans | 17.8 | 154 | 146.4 | -56.9 | -49.8 | 0 | 0 | 0 | 127.2 | ||||
| 149 | G | 32.1 | Very low | 33.2 | Very low | 61 Ų | 61 | 147.9 Ų | 147.9 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | trans | 132.5 | 102.1 | 132.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 150 | D | 33.5 | Very low | 33.7 | Very low | 166 Ų | 166 | 143.5 Ų | 143.5 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | 62.3 | 150.1 | 89.6 | -60 | -29.8 | 0 | 0 | 0 | 114.8 | |||||
| 151 | H | 30.9 | Very low | 33.2 | Very low | 172 Ų | 172 | 143 Ų | 143 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | cis | -174.6 | 172.1 | -23.4 | 177.6 | -94.6 | 0 | 0 | 0 | 106.1 | ||||
| 152 | A | 34.4 | Very low | 32.9 | Very low | 81 Ų | 81 | 142.1 Ų | 142.1 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | trans | 88.6 | 148.5 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 153 | E | 29.6 | Very low | 32.4 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | cis | 177 | 150.6 | -15.9 | 178.1 | -179.3 | 114.7 | 0 | 0 | 105.9 | ||||
| 154 | S | 34.4 | Very low | 32.3 | Very low | 93 Ų | 93 | 136.7 Ų | 136.7 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | trans | 138.6 | 109.1 | 141.5 | -66.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 155 | K | 32.3 | Very low | 32.2 | Very low | 198 Ų | 198 | 133.5 Ų | 133.5 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | 74.6 | 144.9 | 103 | -76.6 | -163 | 178.1 | -175.8 | 0 | 114.9 | |||||
| 156 | A | 27.8 | Very low | 32.2 | Very low | 91 Ų | 91 | 132.1 Ų | 132.1 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | cis | -169.7 | 162.8 | -8.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 157 | L | 39.8 | Very low | 32.3 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | -70.7 | 167.3 | 172 | -67.2 | 159.8 | 0 | 0 | 0 | 112.5 | ||||
| 158 | P | 37.5 | Very low | 32.4 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | -147.1 | 159.5 | 92.9 | 32.4 | -12.2 | 0 | 0 | 0 | 116 | |||||
| 159 | G | 26.1 | Very low | 32.2 | Very low | 71 Ų | 71 | 126.8 Ų | 126.8 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | -91.1 | -155.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 160 | P | 46.1 | Very low | 32.6 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | cis | -137 | -162.8 | -5.8 | 39 | -17.2 | 0 | 0 | 0 | 114 | ||||
| 161 | E | 24.2 | Very low | 33.1 | Very low | 191 Ų | 191 | 127.3 Ų | 127.3 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | trans | 114.7 | 131.1 | 144 | -142.6 | 145.5 | 160.7 | 0 | 0 | 120.3 | ||||
| 162 | G | 27.6 | Very low | 32.8 | Very low | 74 Ų | 74 | 130.5 Ų | 130.5 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | 163.3 | 65.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 163 | A | 28.7 | Very low | 32.6 | Very low | 93 Ų | 93 | 130.6 Ų | 130.6 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | 10 | 131.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 164 | S | 32.5 | Very low | 32.5 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | 172.7 | 109.8 | 106.7 | -72 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 165 | Q | 30.5 | Very low | 32.2 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | -96.3 | 161.7 | 149.2 | -98.7 | -155.1 | -13.2 | 0 | 0 | 108.7 | ||||
| 166 | P | 31.7 | Very low | 31.9 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | -122.5 | 144.1 | 126.6 | -0.4 | 20.7 | 0 | 0 | 0 | 113.9 | |||||
| 167 | Q | 31.2 | Very low | 32.1 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -82.8 | 171.6 | 175.7 | -90.8 | -144.7 | -55.4 | 0 | 0 | 113.9 | ||||
| 168 | P | 37 | Very low | 31.9 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | trans | -97.3 | 167.4 | -176.2 | 38.6 | -33.4 | 0 | 0 | 0 | 114.3 | ||||
| 169 | S | 28.1 | Very low | 31.3 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | 169.8 | 171.2 | 151.9 | 42.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 170 | P | 39.8 | Very low | 31.3 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | -137.4 | -147.6 | -63 | 50.1 | -31.5 | 0 | 0 | 0 | 111.8 | |||||
| 171 | P | 44 | Very low | 30.7 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -120.1 | 178.7 | -138.3 | 29.6 | -3 | 0 | 0 | 0 | 115.7 | ||||
| 172 | R | 25.6 | Very low | 30.6 | Very low | 239 Ų | 239 | 137.4 Ų | 137.4 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | 169.1 | 145.7 | 156.9 | -95.9 | 175.8 | -172.4 | -129.1 | 1.3 | 107.6 | ||||
| 173 | S | 30.1 | Very low | 30.7 | Very low | 83 Ų | 83 | 143 Ų | 143 | 58% | 0.58 | 80% | 0.799 | S | S | * | * | cis | -164.9 | 129 | -6.9 | -84.9 | 0 | 0 | 0 | 0 | 105 | ||||
| 174 | E | 26.5 | Very low | 30.9 | Very low | 190 Ų | 190 | 144 Ų | 144 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | 76.7 | 110.9 | 108.4 | -61 | -166.7 | 113.8 | 0 | 0 | 117.5 | |||||
| 175 | A | 28.7 | Very low | 30.5 | Very low | 94 Ų | 94 | 146.7 Ų | 146.7 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | trans | -171.3 | 102 | 132.9 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 176 | D | 27.1 | Very low | 30.3 | Very low | 146 Ų | 146 | 148 Ų | 148 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | 46.6 | 115.9 | 77.7 | -147.9 | -93.4 | 0 | 0 | 0 | 110 | |||||
| 177 | R | 31.9 | Very low | 30 | Very low | 218 Ų | 218 | 147.7 Ų | 147.7 | 82% | 0.823 | 80% | 0.804 | S | S | * | * | cis | -169.7 | -166.5 | 30.3 | -135.8 | -170.1 | 153.3 | -155.5 | -0.2 | 108.2 | ||||
| 178 | P | 34.6 | Very low | 29.8 | Very low | 97 Ų | 97 | 143 Ų | 143 | 63% | 0.63 | 80% | 0.799 | S | S | * | * | trans | -131.8 | 133.3 | -134.1 | 35.2 | -11 | 0 | 0 | 0 | 115.4 | ||||
| 179 | E | 25.4 | Very low | 29.3 | Very low | 203 Ų | 203 | 146 Ų | 146 | 95% | 0.949 | 80% | 0.804 | S | S | * | * | trans | -139 | 110 | 169.6 | -67.1 | -168.2 | 111.1 | 0 | 0 | 113.8 | ||||
| 180 | K | 27 | Very low | 29.5 | Very low | 203 Ų | 203 | 150.5 Ų | 150.5 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | -109.4 | 157.9 | 136.5 | -88.7 | -170.7 | 175.1 | -176.4 | 0 | 105.3 | ||||
| 181 | P | 32 | Very low | 28.8 | Very low | 131 Ų | 131 | 151 Ų | 151 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | cis | -137.3 | 174.7 | 19.1 | 34.6 | -13.4 | 0 | 0 | 0 | 114 | ||||
| 182 | G | 23.6 | Very low | 28.1 | Very low | 76 Ų | 76 | 149.1 Ų | 149.1 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | 172.3 | 81.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 183 | Q | 29.6 | Very low | 28.2 | Very low | 193 Ų | 193 | 145 Ų | 145 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | -115.8 | 140.8 | 127.6 | -76.6 | -160.2 | -55.4 | 0 | 0 | 104.4 | |||||
| 184 | P | 32.6 | Very low | 28.3 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | -127.7 | 168.6 | 58.3 | 22 | 2.4 | 0 | 0 | 0 | 110.6 | |||||
| 185 | E | 24.6 | Very low | 28.6 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | -156.8 | 130 | 83 | -57.3 | -141.4 | 123.9 | 0 | 0 | 108 | |||||
| 186 | E | 25 | Very low | 28.6 | Very low | 188 Ų | 188 | 146 Ų | 146 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | 54.3 | 97.4 | 82.9 | -159.2 | 179.6 | 111.7 | 0 | 0 | 114 | |||||
| 187 | S | 25.5 | Very low | 28.7 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -170.8 | 106.9 | 139 | 175.1 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 188 | G | 26.3 | Very low | 28.6 | Very low | 66 Ų | 66 | 143.5 Ų | 143.5 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | 126.7 | 89.9 | 57.9 | 0 | 0 | 0 | 0 | 0 | 104.7 | |||||
| 189 | E | 28.2 | Very low | 28.4 | Very low | 170 Ų | 170 | 147.9 Ų | 147.9 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | 8.4 | 126.1 | 150 | -154.1 | 164.4 | 96.8 | 0 | 0 | 117.5 | ||||
| 190 | K | 31 | Very low | 28.7 | Very low | 211 Ų | 211 | 143.4 Ų | 143.4 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | -153.1 | 107.9 | 133.7 | -108.8 | 169.2 | -170.4 | -172.1 | 0 | 110.5 | ||||
| 191 | D | 26.5 | Very low | 29.1 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -50.2 | 154.5 | 169 | -89.7 | -66.6 | 0 | 0 | 0 | 115 | ||||
| 192 | A | 27.7 | Very low | 29 | Very low | 77 Ų | 77 | 145.4 Ų | 145.4 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | trans | 43.1 | 116.5 | 141 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 193 | L | 27.5 | Very low | 29.5 | Very low | 154 Ų | 154 | 148 Ų | 148 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | 173.8 | 113.2 | 106.7 | -98.2 | 136.6 | 0 | 0 | 0 | 109.7 | |||||
| 194 | C | 32.7 | Very low | 30 | Very low | 121 Ų | 121 | 145 Ų | 145 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -69.6 | 127 | 146.3 | -176.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 195 | P | 33.1 | Very low | 29.8 | Very low | 94 Ų | 94 | 143 Ų | 143 | 61% | 0.61 | 79% | 0.792 | S | S | * | * | -152.3 | 124.7 | 118.3 | 31.1 | -11.3 | 0 | 0 | 0 | 112.7 | |||||
| 196 | Q | 29.8 | Very low | 30.3 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | -144.4 | 87.5 | 138.3 | -85.7 | -146.3 | 7.5 | 0 | 0 | 109.6 | T198 | Q196-T198 PolarHBondContact O-N 3.21Š| ||
| 197 | E | 27.6 | Very low | 30.8 | Very low | 184 Ų | 184 | 137.8 Ų | 137.8 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -62.6 | 103.5 | 152.2 | -60.4 | -159 | 110.1 | 0 | 0 | 108.6 | K199 | E197-K199 PolarHBondContact O-N 3.14Š| ||
| 198 | T | 30 | Very low | 31.7 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -73.6 | 88.3 | 160.8 | 42.8 | 0 | 0 | 0 | 0 | 108.6 | Q196 S200 | Q196-T198 PolarHBondContact O-N 3.21Å; T198-S200 PolarHBondContact O-N 3.27Å | ||
| 199 | K | 31.5 | Very low | 32.5 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -49.7 | 94.1 | 162.6 | 179 | 175.8 | 179.4 | 173 | 0 | 110.4 | E197 | E197-K199 PolarHBondContact O-N 3.14Š| ||
| 200 | S | 31.7 | Very low | 33.3 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 118.6 | 159.8 | -169.5 | 0 | 0 | 0 | 0 | 108.4 | T198 Q202 | T198-S200 PolarHBondContact O-N 3.27Å; S200-Q202 PolarHBondContact O-N 3.22Å |
| 201 | K | 33.9 | Very low | 34 | Very low | 184 Ų | 184 | 134.6 Ų | 134.6 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59 | 120.5 | -179.1 | -61.5 | 178.5 | 175.1 | -176.2 | 0 | 109.8 | ||
| 202 | Q | 31.1 | Very low | 35.3 | Very low | 191 Ų | 191 | 136 Ų | 136 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -102 | 122.9 | 160 | -75.6 | -173.7 | -0 | 0 | 0 | 108.8 | S200 | S200-Q202 PolarHBondContact O-N 3.22Š|
| 203 | V | 34.1 | Very low | 36.7 | Very low | 132 Ų | 132 | 143.6 Ų | 143.6 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 137.8 | 167.8 | 173.6 | 0 | 0 | 0 | 0 | 107.7 | G205 | V203-G205 PolarHBondContact O-N 3.11Š|
| 204 | P | 38.8 | Very low | 37.9 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 120.3 | 175.4 | 23.2 | -14.5 | 0 | 0 | 0 | 109.5 | ||
| 205 | G | 29.7 | Very low | 39.2 | Very low | 72 Ų | 72 | 144.8 Ų | 144.8 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | -131.9 | 106.9 | 172 | 0 | 0 | 0 | 0 | 0 | 109.2 | V203 A207 | V203-G205 PolarHBondContact O-N 3.11Å; G205-A207 PolarHBondContact O-N 3.23Å | ||
| 206 | D | 35.1 | Very low | 40.6 | Very low | 172 Ų | 172 | 146.6 Ų | 146.6 | 92% | 0.92 | 79% | 0.791 | S | S | * | * | trans | -53 | 121.3 | 172.6 | -104 | -56.4 | 0 | 0 | 0 | 112.1 | ||||
| 207 | A | 34.4 | Very low | 42.3 | Very low | 84 Ų | 84 | 142.1 Ų | 142.1 | 69% | 0.694 | 77% | 0.769 | S | S | * | * | trans | -160.8 | 102.4 | 149.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | G205 T209 | G205-A207 PolarHBondContact O-N 3.23Å; A207-T209 VanDerWaalsContact C-N 3.34Å; A207-T209 PolarHBondContact O-N 3.35Å | ||
| 208 | A | 45.1 | Very low | 44.7 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 87% | 0.868 | 74% | 0.744 | S | S | * | * | trans | -54.7 | 94.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 209 | T | 42.8 | Very low | 47.2 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 73% | 0.73 | 73% | 0.727 | S | S | * | * | trans | -115.8 | 97.2 | 158.8 | -56.8 | 0 | 0 | 0 | 0 | 105.3 | A207 P211 | A207-T209 VanDerWaalsContact C-N 3.34Å; A207-T209 PolarHBondContact O-N 3.35Å; T209-P211 VanDerWaalsContact O-CD 3.23Å; T209-P211 WeakPolarHBondContact O-CD 3.39Å | ||
| 210 | E | 45.1 | Very low | 49.9 | Very low | 165 Ų | 165 | 127 Ų | 127 | 77% | 0.771 | 69% | 0.692 | S | S | * | * | trans | -39.5 | 111.3 | 167.3 | -75.3 | -70.1 | 112.5 | 0 | 0 | 108.9 | L212 | E210-L212 PolarHBondContact O-N 3.26Š| ||
| 211 | P | 45 | Very low | 52.5 | Low | 115 Ų | 115 | 125 Ų | 125 | 75% | 0.747 | 67% | 0.671 | S | S | * | * | trans | -71.6 | 93.9 | 175.3 | 27 | -28.3 | 0 | 0 | 0 | 105.7 | T209 R213 | T209-P211 VanDerWaalsContact O-CD 3.23Å; T209-P211 WeakPolarHBondContact O-CD 3.39Å; P211-R213 WeakPolarHBondContact O-CA 3.07Å; P211-R213 PolarHBondContact O-N 2.77Å | ||
| 212 | L | 54.9 | Low | 55 | Low | 161 Ų | 161 | 117.8 Ų | 117.8 | 84% | 0.843 | 64% | 0.642 | S | S | * | * | trans | -37.3 | 108 | 167.3 | -145.9 | 89.1 | 0 | 0 | 0 | 106.5 | E210 R214 | E210-L212 PolarHBondContact O-N 3.26Å; L212-R214 VanDerWaalsContact C-N 3.29Å; L212-R214 PolarHBondContact O-N 3.3Å | ||
| 213 | R | 56.5 | Low | 57.7 | Low | 236 Ų | 236 | 109.5 Ų | 109.5 | 89% | 0.891 | 60% | 0.603 | S | S | * | * | trans | -47 | 93.1 | -164.8 | -150.2 | -174.7 | -162.3 | -178.6 | 4.4 | 108.5 | P211 P215 | P211-R213 WeakPolarHBondContact O-CA 3.07Å; P211-R213 PolarHBondContact O-N 2.77Å; R213-P215 WeakPolarHBondContact O-CD 3.16Å; R213-P215 VanDerWaalsContact O-N 3.07Å | ||
| 214 | R | 53.3 | Low | 60.3 | Low | 221 Ų | 221 | 104.3 Ų | 104.3 | 83% | 0.834 | 57% | 0.569 | S | S | * | * | trans | -60.8 | 120.8 | -178.8 | -85.4 | -179.3 | 164.8 | 160.3 | -3 | 104.4 | L212 N216 | L212-R214 VanDerWaalsContact C-N 3.29Å; L212-R214 PolarHBondContact O-N 3.3Å; R214-N216 PolarHBondContact O-N 3Å; R214-N216 VanDerWaalsContact O-N 3.08Å | ||
| 215 | P | 58.7 | Low | 62.8 | Low | 79 Ų | 79 | 98.2 Ų | 98.2 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | trans | -59.3 | 125.5 | 176.7 | -12.4 | 23.8 | 0 | 0 | 0 | 106.2 | R213 F217 | R213-P215 WeakPolarHBondContact O-CD 3.16Å; R213-P215 VanDerWaalsContact O-N 3.07Å; P215-F217 HydrophobicContact CB-CD1 4.37Å; P215-F217 HydrophobicContact CB-CD2 3.91Å; P215-F217 HydrophobicContact CB-CE1 3.93Å; P215-F217 HydrophobicContact CB-CE2 3.43Å; P215-F217 VanDerWaalsContact CB-CE2 3.43Å; P215-F217 HydrophobicContact CB-CG 4.37Å; P215-F217 HydrophobicContact CB-CZ 3.44Å; P215-F217 VanDerWaalsContact CB-CZ 3.44Å; P215-F217 HydrophobicContact CG-CD2 4.34Å; P215-F217 HydrophobicContact CG-CE1 4.49Å; P215-F217 HydrophobicContact CG-CE2 3.47Å; P215-F217 VanDerWaalsContact CG-CE2 3.47Å; P215-F217 HydrophobicContact CG-CZ 3.57Å; P215-F217 VanDerWaalsContact O-CD2 3.22Å; P215-F217 WeakPolarHBondContact O-CD2 3.38Å; P215-F217 PolarHBondContact O-N 3.22Å | ||
| 216 | N | 63.3 | Low | 65.8 | Low | 133 Ų | 133 | 95.3 Ų | 95.3 | 71% | 0.711 | 50% | 0.497 | S | S | * | . | trans | -72.2 | 74.7 | 177.6 | -78.8 | -38.9 | 0 | 0 | 0 | 108.4 | R214 Q218 | R214-N216 PolarHBondContact O-N 3Å; R214-N216 VanDerWaalsContact O-N 3.08Å; N216-Q218 PolarHBondContact O-N 3.01Å; N216-Q218 VanDerWaalsContact O-N 3.12Å | ||
| 217 | F | 65.1 | Low | 68.6 | Low | 78 Ų | 78 | 87.1 Ų | 87.1 | 34% | 0.342 | 45% | 0.453 | S | S | . | . | trans | -68.3 | 110.4 | 175.9 | -63.9 | -68.5 | 0 | 0 | 0 | 108.6 | P215 F219 H319 | P215-F217 HydrophobicContact CB-CD1 4.37Å; P215-F217 HydrophobicContact CB-CD2 3.91Å; P215-F217 HydrophobicContact CB-CE1 3.93Å; P215-F217 HydrophobicContact CB-CE2 3.43Å; P215-F217 VanDerWaalsContact CB-CE2 3.43Å; P215-F217 HydrophobicContact CB-CG 4.37Å; P215-F217 HydrophobicContact CB-CZ 3.44Å; P215-F217 VanDerWaalsContact CB-CZ 3.44Å; P215-F217 HydrophobicContact CG-CD2 4.34Å; P215-F217 HydrophobicContact CG-CE1 4.49Å; P215-F217 HydrophobicContact CG-CE2 3.47Å; P215-F217 VanDerWaalsContact CG-CE2 3.47Å; P215-F217 HydrophobicContact CG-CZ 3.57Å; P215-F217 VanDerWaalsContact O-CD2 3.22Å; P215-F217 WeakPolarHBondContact O-CD2 3.38Å; P215-F217 PolarHBondContact O-N 3.22Å; F217-F219 HydrophobicContact CB-CE2 4.11Å; F217-F219 HydrophobicContact CB-CZ 4.34Å; F217-F219 WeakPolarHBondContact O-CD2 3.48Å; F217-F219 PolarHBondContact O-N 3.38Å; F217-H319 AromaticContact CE1-CD2 3.78Å; F217-H319 AromaticContact CE1-CE1 3.9Å; F217-H319 AromaticContact CE1-NE2 3.53Å | ||
| 218 | Q | 78 | Confident | 71.5 | Confident | 70 Ų | 70 | 86 Ų | 86 | 33% | 0.327 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 108.9 | 166.2 | -78.5 | 176.3 | 18.1 | 0 | 0 | 107.6 | N216 I244 K318 V320 | N216-Q218 PolarHBondContact O-N 3.01Å; N216-Q218 VanDerWaalsContact O-N 3.12Å; Q218-I244 HydrophobicContact CB-CG2 4.25Å; Q218-I244 HydrophobicContact CG-CG2 4.23Å; Q218-K318 HydrophobicContact CB-CB 4.19Å; Q218-K318 HydrophobicContact CB-CD 4.32Å; Q218-K318 PolarHBondContact N-O 3.48Å; Q218-K318 VanDerWaalsContact O-CB 3.29Å; Q218-K318 WeakPolarHBondContact O-CB 3.34Å; Q218-K318 PolarHBondContact O-N 3.22Å; Q218-V320 HydrophobicContact CB-CG2 4.43Å; Q218-V320 HydrophobicContact CG-CG2 4.3Å |
| 219 | F | 83.1 | Confident | 73.9 | Confident | 98 Ų | 98 | 81 Ų | 81 | 43% | 0.43 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 144 | 171.3 | -66.1 | -88.7 | 0 | 0 | 0 | 109.2 | F217 S245 F317 | F217-F219 HydrophobicContact CB-CE2 4.11Å; F217-F219 HydrophobicContact CB-CZ 4.34Å; F217-F219 WeakPolarHBondContact O-CD2 3.48Å; F217-F219 PolarHBondContact O-N 3.38Å; F219-S245 VanDerWaalsContact C-OG 3.26Å; F219-S245 VanDerWaalsContact CB-OG 3.24Å; F219-S245 WeakPolarHBondContact CB-OG 3.34Å; F219-S245 WeakPolarHBondContact O-CB 3.48Å; F219-S245 PolarHBondContact O-N 3.21Å; F219-S245 PolarHBondContact O-OG 3.4Å; F219-F317 HydrophobicContact CD1-CD1 4.28Å; F219-F317 HydrophobicContact CD1-CE1 4.27Å; F219-F317 AromaticContact CE1-CD1 3.84Å; F219-F317 HydrophobicContact CE1-CD1 3.84Å; F219-F317 AromaticContact CE1-CE1 3.55Å; F219-F317 HydrophobicContact CE1-CE1 3.55Å; F219-F317 HydrophobicContact CZ-CE1 4.31Å |
| 220 | L | 87.9 | Confident | 76.4 | Confident | 14 Ų | 14 | 82.8 Ų | 82.8 | 7% | 0.073 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 129.7 | 166.9 | -53.7 | 173.9 | 0 | 0 | 0 | 109.5 | W242 C243 I244 Y251 F252 S316 | L220-W242 HydrophobicContact CB-CB 4.36Å; L220-W242 HydrophobicContact CB-CE3 4.05Å; L220-W242 HydrophobicContact CD1-CB 4.3Å; L220-C243 CarbonylContact C-O 3.5Å; L220-C243 WeakPolarHBondContact CA-O 3.17Å; L220-I244 HydrophobicContact CD2-CG1 4.01Å; L220-Y251 HydrophobicContact CD1-CD1 3.7Å; L220-Y251 HydrophobicContact CD1-CE1 4.38Å; L220-Y251 HydrophobicContact CD1-CG 3.97Å; L220-Y251 HydrophobicContact CD2-CD2 4.33Å; L220-Y251 HydrophobicContact CD2-CG 3.96Å; L220-F252 HydrophobicContact CD1-CD2 4.43Å; L220-F252 HydrophobicContact CD1-CE2 3.82Å; L220-S316 WeakPolarHBondContact CB-OG 3.3Å; L220-S316 PolarHBondContact N-O 3.28Å |
| 221 | E | 86.3 | Confident | 78.7 | Confident | 69 Ų | 69 | 79 Ų | 79 | 32% | 0.322 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 133.6 | 178.3 | -169.8 | -175.3 | 166 | 0 | 0 | 109.8 | C243 | E221-C243 PolarHBondContact N-O 3.33Å; E221-C243 PolarHBondContact O-N 3.35Å |
| 222 | P | 85.8 | Confident | 81.1 | Confident | 31 Ų | 31 | 75.4 Ų | 75.4 | 20% | 0.201 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 130 | 170.8 | 30.5 | -32.5 | 0 | 0 | 0 | 109.9 | V241 W242 I271 | P222-V241 CarbonylContact C-O 3.59Å; P222-V241 WeakPolarHBondContact CA-O 3.47Å; P222-W242 HydrophobicContact CB-CE3 4.34Å; P222-W242 HydrophobicContact CB-CH2 4.16Å; P222-W242 HydrophobicContact CB-CZ3 4.03Å; P222-W242 HydrophobicContact CG-CH2 4.5Å; P222-W242 HydrophobicContact CG-CZ3 4.26Å; P222-I271 HydrophobicContact CB-CD1 4.22Å |
| 223 | K | 88.8 | Confident | 83 | Confident | 18 Ų | 18 | 74.4 Ų | 74.4 | 8% | 0.078 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 159.3 | 177.2 | -68 | -167 | 172.8 | 175.3 | 0 | 110.7 | A239 V241 C243 T247 N248 V268 E269 | K223-A239 CarbonylContact O-C 3.6Å; K223-V241 PolarHBondContact N-O 3.32Å; K223-V241 WeakPolarHBondContact O-CB 3.35Å; K223-V241 PolarHBondContact O-N 2.81Å; K223-C243 HydrophobicContact CD-CB 3.93Å; K223-C243 HydrophobicContact CG-CB 4.36Å; K223-T247 PolarHBondContact NZ-O 2.8Å; K223-N248 PolarHBondContact NZ-OD1 3.37Å; K223-V268 HydrophobicContact CB-CG1 3.37Å; K223-V268 HydrophobicContact CD-CG1 3.61Å; K223-V268 HydrophobicContact CG-CG1 4.09Å; K223-E269 WeakPolarHBondContact CB-O 3.47Å |
| 224 | Y | 89 | Confident | 84.8 | Confident | 22 Ų | 22 | 64.4 Ų | 64.4 | 9% | 0.086 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 126.7 | 172.4 | -161.1 | -101.5 | 0 | 0 | 0 | 109.4 | Y226 E237 S238 A239 V268 E269 I290 R294 | Y224-Y226 HydrophobicContact CD1-CD2 4.41Å; Y224-Y226 HydrophobicContact CD1-CE1 4.36Å; Y224-Y226 AromaticContact CD1-CE2 3.73Å; Y224-Y226 HydrophobicContact CD1-CE2 3.73Å; Y224-Y226 AromaticContact CD1-CZ 3.71Å; Y224-Y226 AromaticContact CE1-CE1 3.88Å; Y224-Y226 HydrophobicContact CE1-CE1 3.88Å; Y224-Y226 HydrophobicContact CE1-CE2 4.1Å; Y224-Y226 AromaticContact CE1-CZ 3.64Å; Y224-E237 HydrophobicContact CE1-CB 3.99Å; Y224-E237 HydrophobicContact CE1-CG 4.41Å; Y224-E237 WeakPolarHBondContact OH-CB 3.31Å; Y224-E237 PolarHBondContact OH-OE2 2.88Å; Y224-S238 WeakPolarHBondContact CA-O 3.35Å; Y224-A239 HydrophobicContact CD2-CB 4.03Å; Y224-A239 HydrophobicContact CE2-CB 4.38Å; Y224-V268 CarbonylContact O-C 3.51Å; Y224-V268 VanDerWaalsContact O-CA 3.28Å; Y224-V268 WeakPolarHBondContact O-CA 3.17Å; Y224-E269 PolarHBondContact N-O 3.44Å; Y224-E269 PolarHBondContact O-N 2.69Å; Y224-I290 HydrophobicContact CD2-CB 4.49Å; Y224-I290 HydrophobicContact CD2-CG1 4.35Å; Y224-I290 HydrophobicContact CD2-CG2 3.47Å; Y224-I290 VanDerWaalsContact CD2-CG2 3.47Å; Y224-I290 HydrophobicContact CE2-CG2 4.05Å; Y224-I290 HydrophobicContact CG-CG2 4.29Å; Y224-R294 PolarHBondContact OH-NH1 2.82Å |
| 225 | G | 91.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 145.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E237 S238 R267 | G225-E237 WeakPolarHBondContact O-CA 3.39Å; G225-S238 PolarHBondContact N-O 3.34Å; G225-S238 PolarHBondContact O-N 2.93Å; G225-R267 WeakPolarHBondContact CA-O 3.33Å |
| 226 | Y | 91.4 | Very high | 88.3 | Confident | 12 Ų | 12 | 61.6 Ų | 61.6 | 5% | 0.047 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 132.6 | 176.1 | -55.4 | -100.4 | 0 | 0 | 0 | 109.4 | Y224 E237 P265 Y266 R267 E269 R288 | Y224-Y226 HydrophobicContact CD1-CD2 4.41Å; Y224-Y226 HydrophobicContact CD1-CE1 4.36Å; Y224-Y226 AromaticContact CD1-CE2 3.73Å; Y224-Y226 HydrophobicContact CD1-CE2 3.73Å; Y224-Y226 AromaticContact CD1-CZ 3.71Å; Y224-Y226 AromaticContact CE1-CE1 3.88Å; Y224-Y226 HydrophobicContact CE1-CE1 3.88Å; Y224-Y226 HydrophobicContact CE1-CE2 4.1Å; Y224-Y226 AromaticContact CE1-CZ 3.64Å; Y226-E237 HydrophobicContact CD1-CG 3.67Å; Y226-E237 WeakPolarHBondContact CD1-OE1 3.38Å; Y226-E237 HydrophobicContact CE1-CG 4.09Å; Y226-E237 VanDerWaalsContact CE1-OE1 3.31Å; Y226-E237 WeakPolarHBondContact CE1-OE1 3.49Å; Y226-E237 HydrophobicContact CG-CG 4.49Å; Y226-P265 CarbonylContact O-C 3.54Å; Y226-P265 WeakPolarHBondContact O-CA 3.24Å; Y226-P265 VanDerWaalsContact O-CB 3.23Å; Y226-P265 WeakPolarHBondContact O-CB 3.27Å; Y226-Y266 WeakPolarHBondContact CB-OH 3.24Å; Y226-Y266 WeakPolarHBondContact O-CD1 3.49Å; Y226-Y266 WeakPolarHBondContact O-CE1 3.31Å; Y226-Y266 PolarHBondContact O-N 3.05Å; Y226-R267 HydrophobicContact CD2-CB 3.86Å; Y226-R267 HydrophobicContact CD2-CG 4.09Å; Y226-R267 VanDerWaalsContact CE1-NH2 3.34Å; Y226-R267 HydrophobicContact CE2-CG 4.43Å; Y226-R267 HydrophobicContact CG-CB 4.43Å; Y226-R267 PolarHBondContact N-O 2.8Å; Y226-E269 VanDerWaalsContact CE2-CD 3.42Å; Y226-E269 HydrophobicContact CE2-CG 4.13Å; Y226-E269 WeakPolarHBondContact CE2-OE1 3.37Å; Y226-E269 PolarHBondContact OH-OE1 2.97Å; Y226-E269 PolarHBondContact OH-OE2 3.37Å; Y226-R288 PolarHBondContact OH-NH1 2.9Å |
| 227 | F | 94.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 151.9 | -173.5 | -63.4 | -98 | 0 | 0 | 0 | 111.8 | R235 W236 V241 Q254 F263 P265 | F227-R235 WeakPolarHBondContact O-CA 3.19Å; F227-W236 HydrophobicContact CB-CD2 3.43Å; F227-W236 VanDerWaalsContact CB-CD2 3.43Å; F227-W236 HydrophobicContact CB-CE3 3.78Å; F227-W236 HydrophobicContact CB-CG 4.01Å; F227-W236 HydrophobicContact CB-CH2 3.7Å; F227-W236 HydrophobicContact CB-CZ2 3.35Å; F227-W236 HydrophobicContact CB-CZ3 3.89Å; F227-W236 AromaticContact CD1-CE2 3.96Å; F227-W236 HydrophobicContact CD1-CH2 4.46Å; F227-W236 AromaticContact CD1-CZ2 3.68Å; F227-W236 HydrophobicContact CD1-CZ2 3.68Å; F227-W236 AromaticContact CD2-CD1 3.79Å; F227-W236 AromaticContact CD2-CE2 3.97Å; F227-W236 HydrophobicContact CD2-CG 4.49Å; F227-W236 AromaticContact CD2-NE1 3.42Å; F227-W236 HydrophobicContact CG-CD2 4.15Å; F227-W236 AromaticContact CG-CE2 3.45Å; F227-W236 VanDerWaalsContact CG-CE2 3.45Å; F227-W236 HydrophobicContact CG-CH2 4.4Å; F227-W236 AromaticContact CG-CZ2 3.63Å; F227-W236 HydrophobicContact CG-CZ2 3.63Å; F227-W236 AromaticContact CG-NE1 3.41Å; F227-W236 PolarHBondContact N-O 3.34Å; F227-W236 PolarHBondContact O-N 3.18Å; F227-V241 HydrophobicContact CE2-CG2 3.64Å; F227-V241 HydrophobicContact CZ-CG2 3.57Å; F227-Q254 HydrophobicContact CD1-CB 4.36Å; F227-Q254 HydrophobicContact CE1-CB 3.76Å; F227-Q254 HydrophobicContact CE1-CG 3.99Å; F227-Q254 HydrophobicContact CE2-CG 4.33Å; F227-Q254 HydrophobicContact CZ-CB 3.89Å; F227-Q254 VanDerWaalsContact CZ-CD 3.45Å; F227-Q254 HydrophobicContact CZ-CG 3.63Å; F227-F263 HydrophobicContact CD1-CB 4.37Å; F227-P265 HydrophobicContact CD1-CB 4.05Å; F227-P265 HydrophobicContact CD2-CB 4.29Å; F227-P265 HydrophobicContact CE1-CB 3.78Å; F227-P265 VanDerWaalsContact CE1-CD 3.44Å; F227-P265 HydrophobicContact CE1-CG 4.08Å; F227-P265 VanDerWaalsContact CE1-N 3.28Å; F227-P265 HydrophobicContact CE2-CB 4.01Å; F227-P265 HydrophobicContact CG-CB 4.3Å; F227-P265 HydrophobicContact CZ-CB 3.74Å; F227-P265 HydrophobicContact CZ-CG 4.02Å |
| 228 | H | 95.3 | Very high | 90.6 | Very high | 61 Ų | 61 | 56.4 Ų | 56.4 | 28% | 0.282 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 120.6 | 175.5 | 168 | -107.6 | 0 | 0 | 0 | 109.5 | Y266 | H228-Y266 HydrophobicContact CB-CD1 4.09Å; H228-Y266 HydrophobicContact CB-CE1 4.17Å |
| 229 | C | 96.1 | Very high | 91 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -79.2 | 121.3 | 173 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | D231 C232 K233 T234 W236 C256 F263 | C229-D231 VanDerWaalsContact C-N 3.3Å; C229-D231 PolarHBondContact O-N 3.49Å; C229-C232 VanDerWaalsContact CB-SG 3.59Å; C229-C232 PolarHBondContact SG-N 3.37Å; C229-C232 PolarHBondContact SG-SG 2.95Å; C229-K233 WeakPolarHBondContact O-CA 3.27Å; C229-K233 PolarHBondContact O-N 3.19Å; C229-T234 PolarHBondContact N-O 3.36Å; C229-W236 HydrophobicContact CB-CH2 4.43Å; C229-W236 HydrophobicContact CB-CZ3 3.87Å; C229-C256 HydrophobicContact CB-CB 4.19Å; C229-F263 HydrophobicContact CB-CE2 4.04Å; C229-F263 HydrophobicContact CB-CZ 4.07Å; C229-F263 VanDerWaalsContact SG-CE2 3.53Å; C229-F263 WeakPolarHBondContact SG-CZ 3.45Å | ||
| 230 | K | 94.3 | Very high | 91.1 | Very high | 155 Ų | 155 | 50 Ų | 50 | 67% | 0.674 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -31.6 | 179.2 | -66.7 | -173.4 | 179 | -174.1 | 0 | 112.7 | K233 | K230-K233 PolarHBondContact O-NZ 2.99Š|
| 231 | D | 95.1 | Very high | 91.2 | Very high | 87 Ų | 87 | 49.3 Ų | 49.3 | 47% | 0.465 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -55.5 | -175.9 | -54.5 | -73.9 | 0 | 0 | 0 | 112.3 | C229 K261 | C229-D231 VanDerWaalsContact C-N 3.3Å; C229-D231 PolarHBondContact O-N 3.49Å; D231-K261 IonicContact OD1-NZ 3.9Å; D231-K261 PolarHBondContact OD1-NZ 2.86Å; D231-K261 WeakPolarHBondContact OD2-CD 3.47Å; D231-K261 WeakPolarHBondContact OD2-CE 3.28Å; D231-K261 IonicContact OD2-NZ 2.89Å; D231-K261 PolarHBondContact OD2-NZ 2.87Å |
| 232 | C | 94.9 | Very high | 91.3 | Very high | 38 Ų | 38 | 46.2 Ų | 46.2 | 26% | 0.257 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 8.6 | -174.7 | 71.5 | 0 | 0 | 0 | 0 | 114.3 | C229 T234 C256 K258 C259 | C229-C232 VanDerWaalsContact CB-SG 3.59Å; C229-C232 PolarHBondContact SG-N 3.37Å; C229-C232 PolarHBondContact SG-SG 2.95Å; C232-T234 PolarHBondContact O-N 2.77Å; C232-T234 PolarHBondContact O-OG1 2.97Å; C232-T234 PolarHBondContact SG-OG1 3.2Å; C232-C256 PolarHBondContact SG-SG 2.97Å; C232-K258 HydrophobicContact CB-CB 4.45Å; C232-K258 HydrophobicContact CB-CD 4.24Å; C232-C259 VanDerWaalsContact CB-SG 3.58Å |
| 233 | K | 95 | Very high | 91.5 | Very high | 140 Ų | 140 | 44.7 Ų | 44.7 | 61% | 0.609 | 20% | 0.202 | S | C | * | . | trans | 55.1 | 12.6 | 179.1 | -51.4 | -55.1 | -175.3 | -165 | 0 | 115.6 | C229 K230 R235 | C229-K233 WeakPolarHBondContact O-CA 3.27Å; C229-K233 PolarHBondContact O-N 3.19Å; K230-K233 PolarHBondContact O-NZ 2.99Å; K233-R235 PolarHBondContact O-N 2.98Å | ||
| 234 | T | 94 | Very high | 91.6 | Very high | 27 Ų | 27 | 44.9 Ų | 44.9 | 17% | 0.166 | 20% | 0.204 | C | C | . | . | trans | -71.5 | 129.7 | -179.8 | -61.1 | 0 | 0 | 0 | 0 | 109.2 | C229 C232 W236 K258 | C229-T234 PolarHBondContact N-O 3.36Å; C232-T234 PolarHBondContact O-N 2.77Å; C232-T234 PolarHBondContact O-OG1 2.97Å; C232-T234 PolarHBondContact SG-OG1 3.2Å; T234-W236 HydrophobicContact CG2-CE3 4.49Å; T234-W236 WeakPolarHBondContact O-CZ3 3.23Å; T234-K258 WeakPolarHBondContact OG1-CE 3.1Å; T234-K258 PolarHBondContact OG1-NZ 2.77Å | ||
| 235 | R | 93.5 | Very high | 91.5 | Very high | 196 Ų | 196 | 46.1 Ų | 46.1 | 74% | 0.74 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 140 | 174.1 | -64 | 178.5 | -177.9 | 163.6 | 0.3 | 109 | F227 K233 | F227-R235 WeakPolarHBondContact O-CA 3.19Å; K233-R235 PolarHBondContact O-N 2.98Å |
| 236 | W | 91.6 | Very high | 91.2 | Very high | 45 Ų | 45 | 49.9 Ų | 49.9 | 17% | 0.17 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 163.6 | 174.8 | 72.5 | 97.1 | 0 | 0 | 0 | 111.1 | F227 C229 T234 Q254 C256 F263 | F227-W236 HydrophobicContact CB-CD2 3.43Å; F227-W236 VanDerWaalsContact CB-CD2 3.43Å; F227-W236 HydrophobicContact CB-CE3 3.78Å; F227-W236 HydrophobicContact CB-CG 4.01Å; F227-W236 HydrophobicContact CB-CH2 3.7Å; F227-W236 HydrophobicContact CB-CZ2 3.35Å; F227-W236 HydrophobicContact CB-CZ3 3.89Å; F227-W236 AromaticContact CD1-CE2 3.96Å; F227-W236 HydrophobicContact CD1-CH2 4.46Å; F227-W236 AromaticContact CD1-CZ2 3.68Å; F227-W236 HydrophobicContact CD1-CZ2 3.68Å; F227-W236 AromaticContact CD2-CD1 3.79Å; F227-W236 AromaticContact CD2-CE2 3.97Å; F227-W236 HydrophobicContact CD2-CG 4.49Å; F227-W236 AromaticContact CD2-NE1 3.42Å; F227-W236 HydrophobicContact CG-CD2 4.15Å; F227-W236 AromaticContact CG-CE2 3.45Å; F227-W236 VanDerWaalsContact CG-CE2 3.45Å; F227-W236 HydrophobicContact CG-CH2 4.4Å; F227-W236 AromaticContact CG-CZ2 3.63Å; F227-W236 HydrophobicContact CG-CZ2 3.63Å; F227-W236 AromaticContact CG-NE1 3.41Å; F227-W236 PolarHBondContact N-O 3.34Å; F227-W236 PolarHBondContact O-N 3.18Å; C229-W236 HydrophobicContact CB-CH2 4.43Å; C229-W236 HydrophobicContact CB-CZ3 3.87Å; T234-W236 HydrophobicContact CG2-CE3 4.49Å; T234-W236 WeakPolarHBondContact O-CZ3 3.23Å; W236-Q254 HydrophobicContact CZ2-CB 4.49Å; W236-C256 HydrophobicContact CH2-CB 4.06Å; W236-C256 HydrophobicContact CZ3-CB 4.3Å; W236-F263 HydrophobicContact CH2-CB 4Å; W236-F263 AromaticContact CH2-CD2 3.77Å; W236-F263 HydrophobicContact CH2-CD2 3.77Å; W236-F263 HydrophobicContact CH2-CG 4.05Å; W236-F263 HydrophobicContact CZ2-CB 4.28Å |
| 237 | E | 90.1 | Very high | 91 | Very high | 84 Ų | 84 | 52.1 Ų | 52.1 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 146.2 | -176.7 | -58.5 | 172.5 | 168.8 | 0 | 0 | 109 | Y224 G225 Y226 R294 | Y224-E237 HydrophobicContact CE1-CB 3.99Å; Y224-E237 HydrophobicContact CE1-CG 4.41Å; Y224-E237 WeakPolarHBondContact OH-CB 3.31Å; Y224-E237 PolarHBondContact OH-OE2 2.88Å; G225-E237 WeakPolarHBondContact O-CA 3.39Å; Y226-E237 HydrophobicContact CD1-CG 3.67Å; Y226-E237 WeakPolarHBondContact CD1-OE1 3.38Å; Y226-E237 HydrophobicContact CE1-CG 4.09Å; Y226-E237 VanDerWaalsContact CE1-OE1 3.31Å; Y226-E237 WeakPolarHBondContact CE1-OE1 3.49Å; Y226-E237 HydrophobicContact CG-CG 4.49Å; E237-R294 IonicContact OE2-NH1 2.88Å |
| 238 | S | 86.3 | Confident | 90.8 | Very high | 17 Ų | 17 | 57.1 Ų | 57.1 | 12% | 0.119 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 137 | -177.7 | -173.2 | 0 | 0 | 0 | 0 | 112 | Y224 G225 Y240 Q254 | Y224-S238 WeakPolarHBondContact CA-O 3.35Å; G225-S238 PolarHBondContact N-O 3.34Å; G225-S238 PolarHBondContact O-N 2.93Å; S238-Y240 VanDerWaalsContact C-N 3.25Å; S238-Y240 PolarHBondContact OG-N 3Å; S238-Q254 VanDerWaalsContact CB-OE1 3.24Å; S238-Q254 PolarHBondContact OG-NE2 2.76Å |
| 239 | A | 85.8 | Confident | 90.6 | Very high | 3 Ų | 3 | 61.2 Ų | 61.2 | 3% | 0.025 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K223 Y224 I271 I290 | K223-A239 CarbonylContact O-C 3.6Å; Y224-A239 HydrophobicContact CD2-CB 4.03Å; Y224-A239 HydrophobicContact CE2-CB 4.38Å; A239-I271 HydrophobicContact CB-CD1 4.1Å; A239-I271 WeakPolarHBondContact O-CD1 3.43Å; A239-I290 HydrophobicContact CB-CG2 3.96Å |
| 240 | Y | 85.8 | Confident | 90.4 | Very high | 30 Ų | 30 | 62.6 Ų | 62.6 | 12% | 0.118 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 45.4 | -178.1 | -59.1 | -83.4 | 0 | 0 | 0 | 111.6 | S238 Q254 L292 R294 H296 C311 | S238-Y240 VanDerWaalsContact C-N 3.25Å; S238-Y240 PolarHBondContact OG-N 3Å; Y240-Q254 PolarHBondContact O-NE2 3.41Å; Y240-Q254 VanDerWaalsContact O-NE2 3.11Å; Y240-L292 PolarHBondContact OH-O 2.82Å; Y240-R294 WeakPolarHBondContact CE2-O 3.37Å; Y240-R294 PolarHBondContact OH-O 3.03Å; Y240-H296 AromaticContact CD1-ND1 3.52Å; Y240-H296 HydrophobicContact CD2-CB 4.09Å; Y240-H296 AromaticContact CD2-CG 3.94Å; Y240-H296 AromaticContact CD2-ND1 3.06Å; Y240-H296 WeakPolarHBondContact CD2-ND1 3.37Å; Y240-H296 HydrophobicContact CE1-CB 4.23Å; Y240-H296 AromaticContact CE1-ND1 3.87Å; Y240-H296 HydrophobicContact CE2-CB 3.49Å; Y240-H296 VanDerWaalsContact CE2-CB 3.49Å; Y240-H296 AromaticContact CE2-CG 3.83Å; Y240-H296 AromaticContact CE2-ND1 3.42Å; Y240-H296 WeakPolarHBondContact CE2-ND1 3.23Å; Y240-H296 AromaticContact CG-CE1 3.71Å; Y240-H296 AromaticContact CG-ND1 3.08Å; Y240-H296 AromaticContact CZ-CG 3.98Å; Y240-H296 AromaticContact CZ-ND1 3.82Å; Y240-C311 HydrophobicContact CD1-CB 3.8Å; Y240-C311 HydrophobicContact CE1-CB 4.26Å |
| 241 | V | 89.5 | Confident | 90.2 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 128.5 | 169.1 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | P222 K223 F227 V250 P265 | P222-V241 CarbonylContact C-O 3.59Å; P222-V241 WeakPolarHBondContact CA-O 3.47Å; K223-V241 PolarHBondContact N-O 3.32Å; K223-V241 WeakPolarHBondContact O-CB 3.35Å; K223-V241 PolarHBondContact O-N 2.81Å; F227-V241 HydrophobicContact CE2-CG2 3.64Å; F227-V241 HydrophobicContact CZ-CG2 3.57Å; V241-V250 HydrophobicContact CG1-CB 4.48Å; V241-V250 HydrophobicContact CG1-CG1 3.93Å; V241-V250 HydrophobicContact CG1-CG2 3.77Å; V241-P265 HydrophobicContact CG1-CG 4.01Å |
| 242 | W | 89.4 | Confident | 89.9 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 1% | 0.011 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 114.6 | -177.8 | -64.7 | 94.4 | 0 | 0 | 0 | 109.5 | L220 P222 V250 Y251 F252 | L220-W242 HydrophobicContact CB-CB 4.36Å; L220-W242 HydrophobicContact CB-CE3 4.05Å; L220-W242 HydrophobicContact CD1-CB 4.3Å; P222-W242 HydrophobicContact CB-CE3 4.34Å; P222-W242 HydrophobicContact CB-CH2 4.16Å; P222-W242 HydrophobicContact CB-CZ3 4.03Å; P222-W242 HydrophobicContact CG-CH2 4.5Å; P222-W242 HydrophobicContact CG-CZ3 4.26Å; W242-V250 WeakPolarHBondContact O-CA 3.44Å; W242-Y251 PolarHBondContact O-N 3.08Å; W242-F252 HydrophobicContact CB-CD2 3.83Å; W242-F252 AromaticContact CD1-CD2 3.95Å; W242-F252 HydrophobicContact CG-CD2 4.02Å |
| 243 | C | 90.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 151.8 | 177.9 | -68.2 | 0 | 0 | 0 | 0 | 110.7 | L220 E221 K223 S245 K249 | L220-C243 CarbonylContact C-O 3.5Å; L220-C243 WeakPolarHBondContact CA-O 3.17Å; E221-C243 PolarHBondContact N-O 3.33Å; E221-C243 PolarHBondContact O-N 3.35Å; K223-C243 HydrophobicContact CD-CB 3.93Å; K223-C243 HydrophobicContact CG-CB 4.36Å; C243-S245 PolarHBondContact O-N 3.01Å; C243-K249 CarbonylContact C-O 3.46Å; C243-K249 WeakPolarHBondContact CA-O 3.44Å |
| 244 | I | 89.9 | Confident | 89.7 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 11% | 0.113 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 124.7 | 169.7 | -58.5 | 169.8 | 0 | 0 | 0 | 108 | Q218 L220 G246 T247 K249 | Q218-I244 HydrophobicContact CB-CG2 4.25Å; Q218-I244 HydrophobicContact CG-CG2 4.23Å; L220-I244 HydrophobicContact CD2-CG1 4.01Å; I244-G246 PolarHBondContact O-N 3.12Å; I244-T247 WeakPolarHBondContact CB-OG1 3.11Å; I244-T247 CarbonylContact O-C 3.55Å; I244-T247 WeakPolarHBondContact O-CA 3.47Å; I244-T247 PolarHBondContact O-N 3.2Å; I244-T247 VanDerWaalsContact O-O 3.06Å; I244-T247 PolarHBondContact O-OG1 3.24Å; I244-K249 HydrophobicContact CD1-CB 4.29Å; I244-K249 HydrophobicContact CD1-CD 3.95Å; I244-K249 HydrophobicContact CD1-CG 4.16Å; I244-K249 PolarHBondContact N-O 3.39Å |
| 245 | S | 87.3 | Confident | 89.7 | Confident | 48 Ų | 48 | 54.6 Ų | 54.6 | 34% | 0.336 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | 136.9 | -179.4 | -69.5 | 0 | 0 | 0 | 0 | 111.3 | F219 C243 T247 | F219-S245 VanDerWaalsContact C-OG 3.26Å; F219-S245 VanDerWaalsContact CB-OG 3.24Å; F219-S245 WeakPolarHBondContact CB-OG 3.34Å; F219-S245 WeakPolarHBondContact O-CB 3.48Å; F219-S245 PolarHBondContact O-N 3.21Å; F219-S245 PolarHBondContact O-OG 3.4Å; C243-S245 PolarHBondContact O-N 3.01Å; S245-T247 PolarHBondContact O-N 3.47Å |
| 246 | G | 83.9 | Confident | 89.7 | Confident | 79 Ų | 79 | 45.2 Ų | 45.2 | 81% | 0.814 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -3.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | I244 | I244-G246 PolarHBondContact O-N 3.12Š|
| 247 | T | 88.2 | Confident | 89.7 | Confident | 59 Ų | 59 | 45.9 Ų | 45.9 | 36% | 0.362 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -132.5 | 170.6 | 177.2 | 78.6 | 0 | 0 | 0 | 0 | 112 | K223 I244 S245 K249 | K223-T247 PolarHBondContact NZ-O 2.8Å; I244-T247 WeakPolarHBondContact CB-OG1 3.11Å; I244-T247 CarbonylContact O-C 3.55Å; I244-T247 WeakPolarHBondContact O-CA 3.47Å; I244-T247 PolarHBondContact O-N 3.2Å; I244-T247 VanDerWaalsContact O-O 3.06Å; I244-T247 PolarHBondContact O-OG1 3.24Å; S245-T247 PolarHBondContact O-N 3.47Å; T247-K249 PolarHBondContact OG1-N 3.48Å; T247-K249 VanDerWaalsContact OG1-N 3.17Å |
| 248 | N | 89.8 | Confident | 89.9 | Confident | 105 Ų | 105 | 48.9 Ų | 48.9 | 56% | 0.561 | 26% | 0.262 | S | S | * | . | trans | -99.3 | 15.7 | 169.4 | -67.1 | -26.3 | 0 | 0 | 0 | 112.4 | K223 V250 | K223-N248 PolarHBondContact NZ-OD1 3.37Å; N248-V250 PolarHBondContact O-N 2.66Å | ||
| 249 | K | 91.3 | Very high | 90.2 | Very high | 146 Ų | 146 | 50 Ų | 50 | 64% | 0.635 | 27% | 0.269 | S | S | * | . | trans | -77.5 | 112.2 | -179.5 | -176 | 168.9 | 177.1 | 177.2 | 0 | 110.3 | C243 I244 T247 | C243-K249 CarbonylContact C-O 3.46Å; C243-K249 WeakPolarHBondContact CA-O 3.44Å; I244-K249 HydrophobicContact CD1-CB 4.29Å; I244-K249 HydrophobicContact CD1-CD 3.95Å; I244-K249 HydrophobicContact CD1-CG 4.16Å; I244-K249 PolarHBondContact N-O 3.39Å; T247-K249 PolarHBondContact OG1-N 3.48Å; T247-K249 VanDerWaalsContact OG1-N 3.17Å | ||
| 250 | V | 91.9 | Very high | 90.5 | Very high | 29 Ų | 29 | 54.4 Ų | 54.4 | 18% | 0.176 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -72.6 | 136.2 | 179.5 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | V241 W242 N248 F252 P265 V268 | V241-V250 HydrophobicContact CG1-CB 4.48Å; V241-V250 HydrophobicContact CG1-CG1 3.93Å; V241-V250 HydrophobicContact CG1-CG2 3.77Å; W242-V250 WeakPolarHBondContact O-CA 3.44Å; N248-V250 PolarHBondContact O-N 2.66Å; V250-F252 WeakPolarHBondContact CG1-O 3.41Å; V250-P265 HydrophobicContact CG2-CG 3.56Å; V250-V268 HydrophobicContact CG2-CG2 4.11Å |
| 251 | Y | 89.7 | Confident | 90.9 | Very high | 104 Ų | 104 | 58 Ų | 58 | 41% | 0.408 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -99.4 | -40.2 | -179.8 | -163.8 | -103.1 | 0 | 0 | 0 | 112.6 | L220 W242 K318 | L220-Y251 HydrophobicContact CD1-CD1 3.7Å; L220-Y251 HydrophobicContact CD1-CE1 4.38Å; L220-Y251 HydrophobicContact CD1-CG 3.97Å; L220-Y251 HydrophobicContact CD2-CD2 4.33Å; L220-Y251 HydrophobicContact CD2-CG 3.96Å; W242-Y251 PolarHBondContact O-N 3.08Å; Y251-K318 HydrophobicContact CD2-CD 4.21Å; Y251-K318 HydrophobicContact CE2-CD 3.51Å; Y251-K318 HydrophobicContact CE2-CG 4.28Å |
| 252 | F | 90.1 | Very high | 91.1 | Very high | 46 Ų | 46 | 61.1 Ų | 61.1 | 20% | 0.202 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -114.1 | 126.1 | 178.7 | -62.4 | -67.7 | 0 | 0 | 0 | 110.9 | L220 W242 V250 R303 | L220-F252 HydrophobicContact CD1-CD2 4.43Å; L220-F252 HydrophobicContact CD1-CE2 3.82Å; W242-F252 HydrophobicContact CB-CD2 3.83Å; W242-F252 AromaticContact CD1-CD2 3.95Å; W242-F252 HydrophobicContact CG-CD2 4.02Å; V250-F252 WeakPolarHBondContact CG1-O 3.41Å; F252-R303 HydrophobicContact CB-CB 4.16Å; F252-R303 HydrophobicContact CD1-CB 4.2Å; F252-R303 HydrophobicContact CD2-CB 3.65Å; F252-R303 HydrophobicContact CD2-CG 3.87Å; F252-R303 HydrophobicContact CE2-CB 4.04Å; F252-R303 HydrophobicContact CE2-CG 3.74Å; F252-R303 HydrophobicContact CG-CB 3.75Å; F252-R303 HydrophobicContact CG-CG 4.38Å; F252-R303 HydrophobicContact CZ-CB 4.47Å; F252-R303 HydrophobicContact CZ-CG 4.15Å |
| 253 | K | 92.4 | Very high | 91.3 | Very high | 99 Ų | 99 | 62.3 Ų | 62.3 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | trans | -74.8 | 159 | 173.3 | -64.1 | -176.8 | -179.2 | 176.9 | 0 | 111 | S262 N264 G302 | K253-S262 WeakPolarHBondContact CD-OG 3.35Å; K253-N264 WeakPolarHBondContact CG-OD1 3.49Å; K253-G302 WeakPolarHBondContact O-CA 3.45Å; K253-G302 PolarHBondContact O-N 3.03Å | ||
| 254 | Q | 92.9 | Very high | 91.5 | Very high | 9 Ų | 9 | 66.6 Ų | 66.6 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 148.5 | 169.9 | -65 | -168.5 | 3.3 | 0 | 0 | 110.6 | F227 W236 S238 Y240 S262 F263 L300 | F227-Q254 HydrophobicContact CD1-CB 4.36Å; F227-Q254 HydrophobicContact CE1-CB 3.76Å; F227-Q254 HydrophobicContact CE1-CG 3.99Å; F227-Q254 HydrophobicContact CE2-CG 4.33Å; F227-Q254 HydrophobicContact CZ-CB 3.89Å; F227-Q254 VanDerWaalsContact CZ-CD 3.45Å; F227-Q254 HydrophobicContact CZ-CG 3.63Å; W236-Q254 HydrophobicContact CZ2-CB 4.49Å; S238-Q254 VanDerWaalsContact CB-OE1 3.24Å; S238-Q254 PolarHBondContact OG-NE2 2.76Å; Y240-Q254 PolarHBondContact O-NE2 3.41Å; Y240-Q254 VanDerWaalsContact O-NE2 3.11Å; Q254-S262 CarbonylContact O-C 3.52Å; Q254-S262 WeakPolarHBondContact O-CA 3.41Å; Q254-F263 PolarHBondContact N-O 3.45Å; Q254-F263 VanDerWaalsContact N-O 3.09Å; Q254-F263 PolarHBondContact O-N 3.06Å; Q254-L300 CarbonylContact C-O 3.51Å; Q254-L300 WeakPolarHBondContact CA-O 3.5Å |
| 255 | L | 93.9 | Very high | 91.7 | Very high | 21 Ų | 21 | 66.3 Ų | 66.3 | 11% | 0.11 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 141.3 | -179.6 | -63.8 | 82.1 | 0 | 0 | 0 | 110 | Q260 K261 L300 K305 | L255-Q260 WeakPolarHBondContact CD2-O 3.06Å; L255-K261 CarbonylContact C-O 3.41Å; L255-K261 VanDerWaalsContact CA-O 3.3Å; L255-K261 WeakPolarHBondContact CA-O 3.41Å; L255-L300 HydrophobicContact CB-CD2 4.44Å; L255-L300 WeakPolarHBondContact CD1-O 3.19Å; L255-L300 PolarHBondContact N-O 2.78Å; L255-K305 HydrophobicContact CD1-CD 3.75Å; L255-K305 HydrophobicContact CD2-CD 3.67Å; L255-K305 HydrophobicContact CG-CD 4.4Å |
| 256 | C | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 36% | 0.364 | C | S | . | . | trans | -68.9 | 132.6 | 167.8 | 177 | 0 | 0 | 0 | 0 | 109.8 | C229 C232 W236 K258 C259 Q260 K261 F263 | C229-C256 HydrophobicContact CB-CB 4.19Å; C232-C256 PolarHBondContact SG-SG 2.97Å; W236-C256 HydrophobicContact CH2-CB 4.06Å; W236-C256 HydrophobicContact CZ3-CB 4.3Å; C256-K258 PolarHBondContact O-N 2.83Å; C256-C259 HydrophobicContact CB-CB 4.19Å; C256-Q260 VanDerWaalsContact O-CA 3.27Å; C256-Q260 WeakPolarHBondContact O-CA 3.49Å; C256-Q260 PolarHBondContact O-N 2.83Å; C256-K261 PolarHBondContact N-O 2.91Å; C256-F263 HydrophobicContact CB-CD2 4.02Å; C256-F263 HydrophobicContact CB-CE2 3.76Å | ||
| 257 | C | 92 | Very high | 92.4 | Very high | 58 Ų | 58 | 72.1 Ų | 72.1 | 39% | 0.392 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -30.8 | 179 | 58.2 | 0 | 0 | 0 | 0 | 114.4 | Q260 L300 | C257-Q260 PolarHBondContact O-NE2 3.16Å; C257-L300 HydrophobicContact CB-CD1 3.78Å; C257-L300 HydrophobicContact CB-CD2 4.13Å |
| 258 | K | 93.4 | Very high | 92.6 | Very high | 148 Ų | 148 | 70.6 Ų | 70.6 | 64% | 0.643 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -45.8 | -179 | -59 | -176 | -177 | 178 | 0 | 112.4 | C232 T234 C256 | C232-K258 HydrophobicContact CB-CB 4.45Å; C232-K258 HydrophobicContact CB-CD 4.24Å; T234-K258 WeakPolarHBondContact OG1-CE 3.1Å; T234-K258 PolarHBondContact OG1-NZ 2.77Å; C256-K258 PolarHBondContact O-N 2.83Å |
| 259 | C | 93.6 | Very high | 92.6 | Very high | 40 Ų | 40 | 68.2 Ų | 68.2 | 27% | 0.27 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -15.5 | -171.3 | -56.6 | 0 | 0 | 0 | 0 | 113.5 | C232 C256 K261 | C232-C259 VanDerWaalsContact CB-SG 3.58Å; C256-C259 HydrophobicContact CB-CB 4.19Å; C259-K261 HydrophobicContact CB-CB 4.29Å; C259-K261 HydrophobicContact CB-CD 4.25Å; C259-K261 HydrophobicContact CB-CG 4.16Å; C259-K261 PolarHBondContact O-N 2.85Å |
| 260 | Q | 92.1 | Very high | 92.4 | Very high | 96 Ų | 96 | 63.2 Ų | 63.2 | 45% | 0.449 | 31% | 0.308 | S | S | . | . | trans | 53 | 17.3 | -171.3 | -61.3 | -63.8 | -24.2 | 0 | 0 | 114.2 | L255 C256 C257 | L255-Q260 WeakPolarHBondContact CD2-O 3.06Å; C256-Q260 VanDerWaalsContact O-CA 3.27Å; C256-Q260 WeakPolarHBondContact O-CA 3.49Å; C256-Q260 PolarHBondContact O-N 2.83Å; C257-Q260 PolarHBondContact O-NE2 3.16Å | ||
| 261 | K | 94.1 | Very high | 92 | Very high | 104 Ų | 104 | 62.5 Ų | 62.5 | 45% | 0.452 | 30% | 0.303 | S | S | . | . | trans | -84.1 | 145.1 | 173.4 | -70 | 176.3 | -175.6 | -174.2 | 0 | 110.1 | D231 L255 C256 C259 F263 | D231-K261 IonicContact OD1-NZ 3.9Å; D231-K261 PolarHBondContact OD1-NZ 2.86Å; D231-K261 WeakPolarHBondContact OD2-CD 3.47Å; D231-K261 WeakPolarHBondContact OD2-CE 3.28Å; D231-K261 IonicContact OD2-NZ 2.89Å; D231-K261 PolarHBondContact OD2-NZ 2.87Å; L255-K261 CarbonylContact C-O 3.41Å; L255-K261 VanDerWaalsContact CA-O 3.3Å; L255-K261 WeakPolarHBondContact CA-O 3.41Å; C256-K261 PolarHBondContact N-O 2.91Å; C259-K261 HydrophobicContact CB-CB 4.29Å; C259-K261 HydrophobicContact CB-CD 4.25Å; C259-K261 HydrophobicContact CB-CG 4.16Å; C259-K261 PolarHBondContact O-N 2.85Å; K261-F263 HydrophobicContact CB-CD2 4.48Å; K261-F263 HydrophobicContact CB-CE2 3.66Å; K261-F263 HydrophobicContact CB-CZ 4.08Å; K261-F263 WeakPolarHBondContact O-CD2 3.08Å; K261-F263 WeakPolarHBondContact O-CE2 3.24Å | ||
| 262 | S | 93.1 | Very high | 91.8 | Very high | 67 Ų | 67 | 62 Ų | 62 | 47% | 0.469 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 132.4 | -179.9 | 70.6 | 0 | 0 | 0 | 0 | 112 | K253 Q254 | K253-S262 WeakPolarHBondContact CD-OG 3.35Å; Q254-S262 CarbonylContact O-C 3.52Å; Q254-S262 WeakPolarHBondContact O-CA 3.41Å |
| 263 | F | 94.7 | Very high | 91.3 | Very high | 29 Ų | 29 | 60.3 Ų | 60.3 | 13% | 0.127 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 144.2 | -180 | -68.1 | -85.5 | 0 | 0 | 0 | 110.7 | F227 C229 W236 Q254 C256 K261 | F227-F263 HydrophobicContact CD1-CB 4.37Å; C229-F263 HydrophobicContact CB-CE2 4.04Å; C229-F263 HydrophobicContact CB-CZ 4.07Å; C229-F263 VanDerWaalsContact SG-CE2 3.53Å; C229-F263 WeakPolarHBondContact SG-CZ 3.45Å; W236-F263 HydrophobicContact CH2-CB 4Å; W236-F263 AromaticContact CH2-CD2 3.77Å; W236-F263 HydrophobicContact CH2-CD2 3.77Å; W236-F263 HydrophobicContact CH2-CG 4.05Å; W236-F263 HydrophobicContact CZ2-CB 4.28Å; Q254-F263 PolarHBondContact N-O 3.45Å; Q254-F263 VanDerWaalsContact N-O 3.09Å; Q254-F263 PolarHBondContact O-N 3.06Å; C256-F263 HydrophobicContact CB-CD2 4.02Å; C256-F263 HydrophobicContact CB-CE2 3.76Å; K261-F263 HydrophobicContact CB-CD2 4.48Å; K261-F263 HydrophobicContact CB-CE2 3.66Å; K261-F263 HydrophobicContact CB-CZ 4.08Å; K261-F263 WeakPolarHBondContact O-CD2 3.08Å; K261-F263 WeakPolarHBondContact O-CE2 3.24Å |
| 264 | N | 94.2 | Very high | 90.7 | Very high | 89 Ų | 89 | 62.6 Ų | 62.6 | 48% | 0.476 | 31% | 0.311 | S | S | . | . | trans | -84.1 | 147.4 | 162.7 | -74.7 | -40.9 | 0 | 0 | 0 | 108.9 | K253 | K253-N264 WeakPolarHBondContact CG-OD1 3.49Š| ||
| 265 | P | 94.3 | Very high | 90.2 | Very high | 16 Ų | 16 | 66.8 Ų | 66.8 | 10% | 0.104 | 34% | 0.337 | C | S | . | . | trans | -65.1 | 145.1 | 169.5 | 30 | -33.4 | 0 | 0 | 0 | 109.6 | Y226 F227 V241 V250 V268 | Y226-P265 CarbonylContact O-C 3.54Å; Y226-P265 WeakPolarHBondContact O-CA 3.24Å; Y226-P265 VanDerWaalsContact O-CB 3.23Å; Y226-P265 WeakPolarHBondContact O-CB 3.27Å; F227-P265 HydrophobicContact CD1-CB 4.05Å; F227-P265 HydrophobicContact CD2-CB 4.29Å; F227-P265 HydrophobicContact CE1-CB 3.78Å; F227-P265 VanDerWaalsContact CE1-CD 3.44Å; F227-P265 HydrophobicContact CE1-CG 4.08Å; F227-P265 VanDerWaalsContact CE1-N 3.28Å; F227-P265 HydrophobicContact CE2-CB 4.01Å; F227-P265 HydrophobicContact CG-CB 4.3Å; F227-P265 HydrophobicContact CZ-CB 3.74Å; F227-P265 HydrophobicContact CZ-CG 4.02Å; V241-P265 HydrophobicContact CG1-CG 4.01Å; V250-P265 HydrophobicContact CG2-CG 3.56Å; P265-V268 HydrophobicContact CB-CG2 4.02Å; P265-V268 HydrophobicContact CG-CG2 3.52Å | ||
| 266 | Y | 94.3 | Very high | 89.8 | Confident | 135 Ų | 135 | 67.8 Ų | 67.8 | 53% | 0.529 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -86.9 | -20.7 | 175.6 | 66.3 | -94.4 | 0 | 0 | 0 | 112.1 | Y226 H228 | Y226-Y266 WeakPolarHBondContact CB-OH 3.24Å; Y226-Y266 WeakPolarHBondContact O-CD1 3.49Å; Y226-Y266 WeakPolarHBondContact O-CE1 3.31Å; Y226-Y266 PolarHBondContact O-N 3.05Å; H228-Y266 HydrophobicContact CB-CD1 4.09Å; H228-Y266 HydrophobicContact CB-CE1 4.17Å |
| 267 | R | 91.8 | Very high | 89.3 | Confident | 114 Ų | 114 | 71.5 Ų | 71.5 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 140.1 | 174 | -173.9 | 169.5 | 72.6 | -139 | -7.3 | 109.3 | G225 Y226 E269 | G225-R267 WeakPolarHBondContact CA-O 3.33Å; Y226-R267 HydrophobicContact CD2-CB 3.86Å; Y226-R267 HydrophobicContact CD2-CG 4.09Å; Y226-R267 VanDerWaalsContact CE1-NH2 3.34Å; Y226-R267 HydrophobicContact CE2-CG 4.43Å; Y226-R267 HydrophobicContact CG-CB 4.43Å; Y226-R267 PolarHBondContact N-O 2.8Å; R267-E269 WeakPolarHBondContact CD-OE1 3.35Å; R267-E269 IonicContact CZ-OE1 2.87Å; R267-E269 IonicContact NE-OE1 2.9Å; R267-E269 PolarHBondContact NE-OE1 3.08Å; R267-E269 IonicContact NH2-OE1 3.86Å |
| 268 | V | 91.1 | Very high | 88.8 | Confident | 28 Ų | 28 | 75.2 Ų | 75.2 | 17% | 0.17 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 131.2 | 178 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | K223 Y224 V250 P265 | K223-V268 HydrophobicContact CB-CG1 3.37Å; K223-V268 HydrophobicContact CD-CG1 3.61Å; K223-V268 HydrophobicContact CG-CG1 4.09Å; Y224-V268 CarbonylContact O-C 3.51Å; Y224-V268 VanDerWaalsContact O-CA 3.28Å; Y224-V268 WeakPolarHBondContact O-CA 3.17Å; V250-V268 HydrophobicContact CG2-CG2 4.11Å; P265-V268 HydrophobicContact CB-CG2 4.02Å; P265-V268 HydrophobicContact CG-CG2 3.52Å |
| 269 | E | 90.8 | Very high | 87.9 | Confident | 54 Ų | 54 | 71.9 Ų | 71.9 | 25% | 0.252 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 152.8 | -178.8 | -73.1 | 166.8 | -151.5 | 0 | 0 | 109.8 | K223 Y224 Y226 R267 R288 | K223-E269 WeakPolarHBondContact CB-O 3.47Å; Y224-E269 PolarHBondContact N-O 3.44Å; Y224-E269 PolarHBondContact O-N 2.69Å; Y226-E269 VanDerWaalsContact CE2-CD 3.42Å; Y226-E269 HydrophobicContact CE2-CG 4.13Å; Y226-E269 WeakPolarHBondContact CE2-OE1 3.37Å; Y226-E269 PolarHBondContact OH-OE1 2.97Å; Y226-E269 PolarHBondContact OH-OE2 3.37Å; R267-E269 WeakPolarHBondContact CD-OE1 3.35Å; R267-E269 IonicContact CZ-OE1 2.87Å; R267-E269 IonicContact NE-OE1 2.9Å; R267-E269 PolarHBondContact NE-OE1 3.08Å; R267-E269 IonicContact NH2-OE1 3.86Å; E269-R288 IonicContact OE2-NH1 3.56Å; E269-R288 PolarHBondContact OE2-NH1 2.89Å |
| 270 | A | 86.8 | Confident | 87.1 | Confident | 41 Ų | 41 | 76.9 Ų | 76.9 | 34% | 0.339 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 148.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q272 I290 | A270-Q272 VanDerWaalsContact C-N 3.3Å; A270-Q272 HydrophobicContact CB-CG 4.03Å; A270-Q272 PolarHBondContact O-N 2.97Å; A270-I290 WeakPolarHBondContact O-CD1 3.48Å |
| 271 | I | 84.2 | Confident | 86.5 | Confident | 15 Ų | 15 | 73.7 Ų | 73.7 | 8% | 0.077 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -80.8 | 78.6 | 175.9 | -59.4 | -173.2 | 0 | 0 | 0 | 109.2 | P222 A239 S279 I290 L292 | P222-I271 HydrophobicContact CB-CD1 4.22Å; A239-I271 HydrophobicContact CB-CD1 4.1Å; A239-I271 WeakPolarHBondContact O-CD1 3.43Å; I271-S279 WeakPolarHBondContact O-CA 3.49Å; I271-S279 WeakPolarHBondContact O-CB 3.47Å; I271-I290 HydrophobicContact CB-CD1 4.43Å; I271-I290 HydrophobicContact CB-CG2 4.04Å; I271-I290 HydrophobicContact CD1-CG2 4.07Å; I271-I290 HydrophobicContact CG1-CG2 3.78Å; I271-I290 HydrophobicContact CG2-CB 3.79Å; I271-I290 HydrophobicContact CG2-CD1 4.43Å; I271-I290 HydrophobicContact CG2-CG2 3.47Å; I271-I290 VanDerWaalsContact CG2-CG2 3.47Å; I271-L292 HydrophobicContact CD1-CD2 3.8Å; I271-L292 HydrophobicContact CG2-CD2 4.13Å; I271-L292 HydrophobicContact CG2-CG 4.43Å |
| 272 | Q | 84 | Confident | 85.8 | Confident | 92 Ų | 92 | 74.2 Ų | 74.2 | 43% | 0.43 | 40% | 0.4 | S | S | . | . | trans | -136.5 | 150.9 | -175.9 | -64.5 | 178.5 | 10.5 | 0 | 0 | 112.4 | A270 S277 | A270-Q272 VanDerWaalsContact C-N 3.3Å; A270-Q272 HydrophobicContact CB-CG 4.03Å; A270-Q272 PolarHBondContact O-N 2.97Å; Q272-S277 PolarHBondContact OE1-O 3.45Å | ||
| 273 | C | 80.4 | Confident | 85.2 | Confident | 12 Ų | 12 | 72.2 Ų | 72.2 | 8% | 0.081 | 39% | 0.386 | C | S | . | . | trans | -67.3 | 132.7 | 171.4 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | T275 C276 S277 K278 C281 | C273-T275 VanDerWaalsContact C-N 3.25Å; C273-T275 PolarHBondContact O-N 3.28Å; C273-T275 PolarHBondContact SG-N 3.48Å; C273-T275 VanDerWaalsContact SG-N 3.39Å; C273-C276 VanDerWaalsContact CB-SG 3.57Å; C273-C276 VanDerWaalsContact SG-SG 3.65Å; C273-S277 WeakPolarHBondContact O-CA 3.16Å; C273-S277 PolarHBondContact O-N 3Å; C273-K278 WeakPolarHBondContact CB-O 3.33Å; C273-K278 PolarHBondContact N-O 3.06Å; C273-C281 HydrophobicContact CB-CB 4.21Å; C273-C281 WeakPolarHBondContact CB-SG 3.1Å; C273-C281 PolarHBondContact SG-SG 3.15Å | ||
| 274 | Q | 80.3 | Confident | 84.2 | Confident | 146 Ų | 146 | 77.3 Ų | 77.3 | 68% | 0.682 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -27.5 | 176.4 | -164.9 | 66.4 | 32.4 | 0 | 0 | 113.2 | ||
| 275 | T | 82.6 | Confident | 82.9 | Confident | 98 Ų | 98 | 79.8 Ų | 79.8 | 60% | 0.601 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -38.6 | -175.3 | -49.2 | 0 | 0 | 0 | 0 | 112.9 | C273 | C273-T275 VanDerWaalsContact C-N 3.25Å; C273-T275 PolarHBondContact O-N 3.28Å; C273-T275 PolarHBondContact SG-N 3.48Å; C273-T275 VanDerWaalsContact SG-N 3.39Å |
| 276 | C | 84.9 | Confident | 81.3 | Confident | 42 Ų | 42 | 84 Ų | 84 | 28% | 0.284 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | 1.6 | -173.8 | 69 | 0 | 0 | 0 | 0 | 114.4 | C273 K278 C281 | C273-C276 VanDerWaalsContact CB-SG 3.57Å; C273-C276 VanDerWaalsContact SG-SG 3.65Å; C276-K278 PolarHBondContact O-N 3.37Å; C276-C281 WeakPolarHBondContact SG-CB 3.42Å |
| 277 | S | 81.8 | Confident | 79.6 | Confident | 77 Ų | 77 | 86.3 Ų | 86.3 | 54% | 0.538 | 46% | 0.46 | S | S | . | . | trans | 58.4 | 8.8 | 179.6 | -52.8 | 0 | 0 | 0 | 0 | 115.9 | Q272 C273 | Q272-S277 PolarHBondContact OE1-O 3.45Å; C273-S277 WeakPolarHBondContact O-CA 3.16Å; C273-S277 PolarHBondContact O-N 3Å | ||
| 278 | K | 81.5 | Confident | 78 | Confident | 136 Ų | 136 | 86.4 Ų | 86.4 | 59% | 0.591 | 46% | 0.46 | S | S | * | . | trans | -85.4 | 143.9 | 176 | -64.3 | 174.6 | 179.4 | 177.9 | 0 | 110.8 | C273 C276 C281 | C273-K278 WeakPolarHBondContact CB-O 3.33Å; C273-K278 PolarHBondContact N-O 3.06Å; C276-K278 PolarHBondContact O-N 3.37Å; K278-C281 HydrophobicContact CB-CB 4.3Å | ||
| 279 | S | 76.4 | Confident | 76.3 | Confident | 78 Ų | 78 | 88.5 Ų | 88.5 | 55% | 0.545 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -70.5 | -33.2 | 174.4 | 53.5 | 0 | 0 | 0 | 0 | 112.8 | I271 | I271-S279 WeakPolarHBondContact O-CA 3.49Å; I271-S279 WeakPolarHBondContact O-CB 3.47Å |
| 280 | H | 76.9 | Confident | 74.7 | Confident | 146 Ų | 146 | 87.2 Ų | 87.2 | 68% | 0.676 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -120.2 | 112.5 | 172.7 | -60.7 | -79.9 | 0 | 0 | 0 | 108.8 | ||
| 281 | C | 78.6 | Confident | 73.3 | Confident | 29 Ų | 29 | 88.9 Ų | 88.9 | 20% | 0.196 | 47% | 0.466 | C | S | . | . | trans | -138.5 | 153.6 | -178.8 | 79.9 | 0 | 0 | 0 | 0 | 112.1 | C273 C276 K278 | C273-C281 HydrophobicContact CB-CB 4.21Å; C273-C281 WeakPolarHBondContact CB-SG 3.1Å; C273-C281 PolarHBondContact SG-SG 3.15Å; C276-C281 WeakPolarHBondContact SG-CB 3.42Å; K278-C281 HydrophobicContact CB-CB 4.3Å | ||
| 282 | S | 78.4 | Confident | 72.2 | Confident | 115 Ų | 115 | 91 Ų | 91 | 80% | 0.804 | 48% | 0.477 | S | S | * | . | trans | -104.5 | 15.2 | 176 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 283 | C | 82 | Confident | 70.8 | Confident | 25 Ų | 25 | 97.7 Ų | 97.7 | 17% | 0.169 | 50% | 0.498 | C | S | . | . | trans | -56 | 140.8 | -177.4 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | K286 | C283-K286 WeakPolarHBondContact O-CE 3.18Å; C283-K286 WeakPolarHBondContact O-CG 3.32Å | ||
| 284 | P | 74 | Confident | 70 | Confident | 136 Ų | 136 | 102.8 Ų | 102.8 | 88% | 0.883 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -75.3 | -30.2 | -176.1 | 27.2 | -33.8 | 0 | 0 | 0 | 113.5 | K286 | P284-K286 PolarHBondContact O-N 3.41Š|
| 285 | Q | 66 | Low | 69.2 | Low | 140 Ų | 140 | 101.2 Ų | 101.2 | 65% | 0.654 | 52% | 0.518 | S | S | * | . | trans | -96.1 | 69.1 | -176.7 | -132.9 | 170.1 | 8.5 | 0 | 0 | 111.1 | K287 | Q285-K287 VanDerWaalsContact C-N 3.27Å; Q285-K287 PolarHBondContact O-N 3.08Å | ||
| 286 | K | 60.6 | Low | 69 | Low | 104 Ų | 104 | 98.7 Ų | 98.7 | 45% | 0.452 | 50% | 0.499 | S | S | . | . | trans | -77.7 | 63.2 | -173.1 | -64.8 | 175.2 | 167 | -157.9 | 0 | 112.7 | C283 P284 R288 H289 | C283-K286 WeakPolarHBondContact O-CE 3.18Å; C283-K286 WeakPolarHBondContact O-CG 3.32Å; P284-K286 PolarHBondContact O-N 3.41Å; K286-R288 PolarHBondContact O-N 3.26Å; K286-H289 HydrophobicContact CB-CB 4.41Å; K286-H289 VanDerWaalsContact CB-CD2 3.45Å; K286-H289 WeakPolarHBondContact CB-CD2 3.42Å; K286-H289 WeakPolarHBondContact CD-CD2 2.98Å; K286-H289 WeakPolarHBondContact CD-NE2 3.15Å; K286-H289 WeakPolarHBondContact CE-NE2 3.45Å; K286-H289 WeakPolarHBondContact CG-CD2 3.04Å; K286-H289 PolarHBondContact NZ-CE1 3.06Å; K286-H289 PolarHBondContact NZ-NE2 3.02Å | ||
| 287 | K | 59.5 | Low | 68.8 | Low | 184 Ų | 184 | 104 Ų | 104 | 80% | 0.8 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -22 | 177.1 | -71.2 | -170.5 | 178.6 | -178.5 | 0 | 113.3 | Q285 | Q285-K287 VanDerWaalsContact C-N 3.27Å; Q285-K287 PolarHBondContact O-N 3.08Å |
| 288 | R | 57.6 | Low | 69 | Low | 117 Ų | 117 | 103.8 Ų | 103.8 | 44% | 0.442 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.3 | 75.7 | 170.1 | -69.3 | -171.7 | -176.2 | -157 | 2.3 | 110 | Y226 E269 K286 I290 | Y226-R288 PolarHBondContact OH-NH1 2.9Å; E269-R288 IonicContact OE2-NH1 3.56Å; E269-R288 PolarHBondContact OE2-NH1 2.89Å; K286-R288 PolarHBondContact O-N 3.26Å; R288-I290 VanDerWaalsContact C-N 3.28Å; R288-I290 PolarHBondContact O-N 3.1Å; R288-I290 VanDerWaalsContact O-N 3.14Å |
| 289 | H | 55.7 | Low | 69.2 | Low | 72 Ų | 72 | 102 Ų | 102 | 33% | 0.333 | 50% | 0.498 | S | S | . | . | trans | -71.9 | 98.2 | 153.1 | -111.8 | -113.4 | 0 | 0 | 0 | 106.3 | K286 D291 | K286-H289 HydrophobicContact CB-CB 4.41Å; K286-H289 VanDerWaalsContact CB-CD2 3.45Å; K286-H289 WeakPolarHBondContact CB-CD2 3.42Å; K286-H289 WeakPolarHBondContact CD-CD2 2.98Å; K286-H289 WeakPolarHBondContact CD-NE2 3.15Å; K286-H289 WeakPolarHBondContact CE-NE2 3.45Å; K286-H289 WeakPolarHBondContact CG-CD2 3.04Å; K286-H289 PolarHBondContact NZ-CE1 3.06Å; K286-H289 PolarHBondContact NZ-NE2 3.02Å; H289-D291 WeakPolarHBondContact CB-OD1 3.29Å; H289-D291 IonicContact CG-OD1 3.67Å; H289-D291 IonicContact ND1-OD1 2.93Å; H289-D291 PolarHBondContact ND1-OD1 3.32Å; H289-D291 PolarHBondContact O-N 2.7Å | ||
| 290 | I | 57.5 | Low | 69.8 | Low | 27 Ų | 27 | 99 Ų | 99 | 14% | 0.138 | 48% | 0.476 | C | S | . | . | trans | -71.5 | 75.5 | 164.4 | -60 | 164.7 | 0 | 0 | 0 | 104.5 | Y224 A239 A270 I271 R288 L292 | Y224-I290 HydrophobicContact CD2-CB 4.49Å; Y224-I290 HydrophobicContact CD2-CG1 4.35Å; Y224-I290 HydrophobicContact CD2-CG2 3.47Å; Y224-I290 VanDerWaalsContact CD2-CG2 3.47Å; Y224-I290 HydrophobicContact CE2-CG2 4.05Å; Y224-I290 HydrophobicContact CG-CG2 4.29Å; A239-I290 HydrophobicContact CB-CG2 3.96Å; A270-I290 WeakPolarHBondContact O-CD1 3.48Å; I271-I290 HydrophobicContact CB-CD1 4.43Å; I271-I290 HydrophobicContact CB-CG2 4.04Å; I271-I290 HydrophobicContact CD1-CG2 4.07Å; I271-I290 HydrophobicContact CG1-CG2 3.78Å; I271-I290 HydrophobicContact CG2-CB 3.79Å; I271-I290 HydrophobicContact CG2-CD1 4.43Å; I271-I290 HydrophobicContact CG2-CG2 3.47Å; I271-I290 VanDerWaalsContact CG2-CG2 3.47Å; R288-I290 VanDerWaalsContact C-N 3.28Å; R288-I290 PolarHBondContact O-N 3.1Å; R288-I290 VanDerWaalsContact O-N 3.14Å; I290-L292 PolarHBondContact O-N 2.98Å | ||
| 291 | D | 57.4 | Low | 70.3 | Confident | 75 Ų | 75 | 92.2 Ų | 92.2 | 40% | 0.401 | 44% | 0.444 | S | S | . | . | trans | -61.6 | 106.7 | -177.6 | -77 | -37.9 | 0 | 0 | 0 | 106.3 | H289 R293 R294 | H289-D291 WeakPolarHBondContact CB-OD1 3.29Å; H289-D291 IonicContact CG-OD1 3.67Å; H289-D291 IonicContact ND1-OD1 2.93Å; H289-D291 PolarHBondContact ND1-OD1 3.32Å; H289-D291 PolarHBondContact O-N 2.7Å; D291-R293 HydrophobicContact CB-CB 4.27Å; D291-R293 PolarHBondContact O-N 2.87Å; D291-R294 VanDerWaalsContact O-CB 3.24Å; D291-R294 WeakPolarHBondContact O-CB 3.22Å; D291-R294 PolarHBondContact O-N 2.99Å | ||
| 292 | L | 60.4 | Low | 70.7 | Confident | 60 Ų | 60 | 92.3 Ų | 92.3 | 31% | 0.314 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -12.4 | 160.5 | -64.7 | 173.4 | 0 | 0 | 0 | 110.9 | Y240 I271 I290 | Y240-L292 PolarHBondContact OH-O 2.82Å; I271-L292 HydrophobicContact CD1-CD2 3.8Å; I271-L292 HydrophobicContact CG2-CD2 4.13Å; I271-L292 HydrophobicContact CG2-CG 4.43Å; I290-L292 PolarHBondContact O-N 2.98Å |
| 293 | R | 54.3 | Low | 71.1 | Confident | 232 Ų | 232 | 87.6 Ų | 87.6 | 88% | 0.875 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -6.8 | 171 | -74 | -176.8 | 145.4 | -148.9 | -5 | 114.4 | D291 | D291-R293 HydrophobicContact CB-CB 4.27Å; D291-R293 PolarHBondContact O-N 2.87Å |
| 294 | R | 63.6 | Low | 71.2 | Confident | 119 Ų | 119 | 86.4 Ų | 86.4 | 45% | 0.449 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -56.1 | 125.8 | 173.6 | -167.7 | 171.4 | -177.5 | 164.5 | -5.4 | 106.8 | Y224 E237 Y240 D291 H296 | Y224-R294 PolarHBondContact OH-NH1 2.82Å; E237-R294 IonicContact OE2-NH1 2.88Å; Y240-R294 WeakPolarHBondContact CE2-O 3.37Å; Y240-R294 PolarHBondContact OH-O 3.03Å; D291-R294 VanDerWaalsContact O-CB 3.24Å; D291-R294 WeakPolarHBondContact O-CB 3.22Å; D291-R294 PolarHBondContact O-N 2.99Å; R294-H296 PolarHBondContact O-N 3Å |
| 295 | P | 63.2 | Low | 71.8 | Confident | 113 Ų | 113 | 83.1 Ų | 83.1 | 73% | 0.734 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 117.8 | -168.6 | 17.9 | -30.4 | 0 | 0 | 0 | 110 | R297 | P295-R297 PolarHBondContact O-N 3.03Š|
| 296 | H | 79.2 | Confident | 72.6 | Confident | 45 Ų | 45 | 83.4 Ų | 83.4 | 21% | 0.208 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 118.7 | 178.2 | -176.2 | 63.5 | 0 | 0 | 0 | 109.7 | Y240 R294 Q298 C301 C304 C311 | Y240-H296 AromaticContact CD1-ND1 3.52Å; Y240-H296 HydrophobicContact CD2-CB 4.09Å; Y240-H296 AromaticContact CD2-CG 3.94Å; Y240-H296 AromaticContact CD2-ND1 3.06Å; Y240-H296 WeakPolarHBondContact CD2-ND1 3.37Å; Y240-H296 HydrophobicContact CE1-CB 4.23Å; Y240-H296 AromaticContact CE1-ND1 3.87Å; Y240-H296 HydrophobicContact CE2-CB 3.49Å; Y240-H296 VanDerWaalsContact CE2-CB 3.49Å; Y240-H296 AromaticContact CE2-CG 3.83Å; Y240-H296 AromaticContact CE2-ND1 3.42Å; Y240-H296 WeakPolarHBondContact CE2-ND1 3.23Å; Y240-H296 AromaticContact CG-CE1 3.71Å; Y240-H296 AromaticContact CG-ND1 3.08Å; Y240-H296 AromaticContact CZ-CG 3.98Å; Y240-H296 AromaticContact CZ-ND1 3.82Å; R294-H296 PolarHBondContact O-N 3Å; H296-Q298 PolarHBondContact O-N 3.18Å; H296-C301 VanDerWaalsContact CE1-CB 3.41Å; H296-C301 WeakPolarHBondContact CE1-CB 3.33Å; H296-C301 VanDerWaalsContact CE1-SG 3.57Å; H296-C304 PolarHBondContact NE2-SG 2.92Å; H296-C311 VanDerWaalsContact CE1-CB 3.49Å; H296-C311 WeakPolarHBondContact CE1-CB 3.33Å; H296-C311 VanDerWaalsContact CE1-SG 3.51Å; H296-C311 WeakPolarHBondContact NE2-CB 3.48Å; H296-C311 PolarHBondContact NE2-SG 2.79Å; H296-C311 VanDerWaalsContact NE2-SG 3.36Å |
| 297 | R | 81.1 | Confident | 73.7 | Confident | 155 Ų | 155 | 82.8 Ų | 82.8 | 59% | 0.585 | 38% | 0.382 | S | S | * | . | trans | -85.5 | 87.5 | 172.7 | -72.8 | -170.6 | -175.6 | -174.6 | -0.8 | 110.1 | P295 E299 L300 C301 | P295-R297 PolarHBondContact O-N 3.03Å; R297-E299 VanDerWaalsContact CA-OE2 3.27Å; R297-E299 WeakPolarHBondContact CA-OE2 3.43Å; R297-E299 VanDerWaalsContact CB-OE1 3.31Å; R297-E299 WeakPolarHBondContact CB-OE1 3.32Å; R297-E299 WeakPolarHBondContact CG-OE1 3.42Å; R297-E299 PolarHBondContact O-N 3.12Å; R297-L300 HydrophobicContact CB-CB 4.3Å; R297-L300 HydrophobicContact CB-CD1 4.13Å; R297-L300 HydrophobicContact CB-CG 4.23Å; R297-L300 PolarHBondContact O-N 3.37Å; R297-L300 VanDerWaalsContact O-N 3.11Å; R297-C301 PolarHBondContact O-N 3.08Å | ||
| 298 | Q | 85.4 | Confident | 74.5 | Confident | 71 Ų | 71 | 86.6 Ų | 86.6 | 33% | 0.332 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -58.6 | -37.1 | -176.4 | 169.8 | 158.6 | 14 | 0 | 0 | 112.5 | H296 L300 C301 C304 K305 K307 | H296-Q298 PolarHBondContact O-N 3.18Å; Q298-L300 PolarHBondContact O-N 3.02Å; Q298-C301 PolarHBondContact O-N 3.36Å; Q298-C304 HydrophobicContact CG-CB 4.27Å; Q298-C304 PolarHBondContact NE2-O 3.15Å; Q298-K305 WeakPolarHBondContact O-CA 3.45Å; Q298-K305 PolarHBondContact O-N 3.06Å; Q298-K307 PolarHBondContact NE2-O 2.98Å |
| 299 | E | 85.3 | Confident | 75.3 | Confident | 100 Ų | 100 | 85.7 Ų | 85.7 | 47% | 0.467 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -62.5 | -23.5 | 178.3 | 75.4 | -68.1 | 173.8 | 0 | 0 | 113.1 | R297 K305 | R297-E299 VanDerWaalsContact CA-OE2 3.27Å; R297-E299 WeakPolarHBondContact CA-OE2 3.43Å; R297-E299 VanDerWaalsContact CB-OE1 3.31Å; R297-E299 WeakPolarHBondContact CB-OE1 3.32Å; R297-E299 WeakPolarHBondContact CG-OE1 3.42Å; R297-E299 PolarHBondContact O-N 3.12Å; E299-K305 WeakPolarHBondContact O-CD 3.31Å |
| 300 | L | 88.8 | Confident | 76.2 | Confident | 15 Ų | 15 | 85.6 Ų | 85.6 | 8% | 0.079 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -104.5 | -6.3 | 179.8 | -54.3 | -178.5 | 0 | 0 | 0 | 113.4 | Q254 L255 C257 R297 Q298 | Q254-L300 CarbonylContact C-O 3.51Å; Q254-L300 WeakPolarHBondContact CA-O 3.5Å; L255-L300 HydrophobicContact CB-CD2 4.44Å; L255-L300 WeakPolarHBondContact CD1-O 3.19Å; L255-L300 PolarHBondContact N-O 2.78Å; C257-L300 HydrophobicContact CB-CD1 3.78Å; C257-L300 HydrophobicContact CB-CD2 4.13Å; R297-L300 HydrophobicContact CB-CB 4.3Å; R297-L300 HydrophobicContact CB-CD1 4.13Å; R297-L300 HydrophobicContact CB-CG 4.23Å; R297-L300 PolarHBondContact O-N 3.37Å; R297-L300 VanDerWaalsContact O-N 3.11Å; Q298-L300 PolarHBondContact O-N 3.02Å |
| 301 | C | 88.8 | Confident | 77 | Confident | 2 Ų | 2 | 84.4 Ų | 84.4 | 1% | 0.014 | 39% | 0.392 | C | S | . | . | B | Isolated β-bridge | trans | -96.3 | 115.8 | -174.9 | -176.7 | 0 | 0 | 0 | 0 | 111.4 | H296 R297 Q298 R303 C304 K305 C311 | H296-C301 VanDerWaalsContact CE1-CB 3.41Å; H296-C301 WeakPolarHBondContact CE1-CB 3.33Å; H296-C301 VanDerWaalsContact CE1-SG 3.57Å; R297-C301 PolarHBondContact O-N 3.08Å; Q298-C301 PolarHBondContact O-N 3.36Å; C301-R303 PolarHBondContact O-N 2.93Å; C301-C304 PolarHBondContact O-N 3.38Å; C301-K305 WeakPolarHBondContact O-CB 3.29Å; C301-K305 PolarHBondContact O-N 3.04Å; C301-C311 VanDerWaalsContact SG-SG 3.64Å |
| 302 | G | 86.3 | Confident | 77.2 | Confident | 31 Ų | 31 | 83.2 Ų | 83.2 | 32% | 0.32 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -7.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | K253 | K253-G302 WeakPolarHBondContact O-CA 3.45Å; K253-G302 PolarHBondContact O-N 3.03Å |
| 303 | R | 85.7 | Confident | 77 | Confident | 16 Ų | 16 | 87 Ų | 87 | 6% | 0.06 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -47.2 | 173.5 | 178.3 | 176.2 | 165.4 | 150.1 | -4 | 112.7 | F252 C301 K307 F309 S316 | F252-R303 HydrophobicContact CB-CB 4.16Å; F252-R303 HydrophobicContact CD1-CB 4.2Å; F252-R303 HydrophobicContact CD2-CB 3.65Å; F252-R303 HydrophobicContact CD2-CG 3.87Å; F252-R303 HydrophobicContact CE2-CB 4.04Å; F252-R303 HydrophobicContact CE2-CG 3.74Å; F252-R303 HydrophobicContact CG-CB 3.75Å; F252-R303 HydrophobicContact CG-CG 4.38Å; F252-R303 HydrophobicContact CZ-CB 4.47Å; F252-R303 HydrophobicContact CZ-CG 4.15Å; C301-R303 PolarHBondContact O-N 2.93Å; R303-K307 WeakPolarHBondContact O-CD 3.29Å; R303-K307 WeakPolarHBondContact O-CE 3.49Å; R303-K307 PolarHBondContact O-NZ 3.32Å; R303-F309 HydrophobicContact CG-CE2 4.15Å; R303-S316 PolarHBondContact NH1-OG 3.34Å |
| 304 | C | 85.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -4.3 | -170.5 | 61.2 | 0 | 0 | 0 | 0 | 114 | H296 Q298 C301 D306 K307 F309 C311 | H296-C304 PolarHBondContact NE2-SG 2.92Å; Q298-C304 HydrophobicContact CG-CB 4.27Å; Q298-C304 PolarHBondContact NE2-O 3.15Å; C301-C304 PolarHBondContact O-N 3.38Å; C304-D306 PolarHBondContact O-N 3.02Å; C304-K307 PolarHBondContact O-N 2.98Å; C304-F309 HydrophobicContact CB-CE2 4.46Å; C304-F309 WeakPolarHBondContact CB-O 3.4Å; C304-C311 PolarHBondContact SG-SG 2.95Å |
| 305 | K | 85.3 | Confident | 77 | Confident | 68 Ų | 68 | 83.1 Ų | 83.1 | 30% | 0.296 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 126.2 | 171 | -178 | -178.9 | -179.6 | -71 | 0 | 108.2 | L255 Q298 E299 C301 K307 | L255-K305 HydrophobicContact CD1-CD 3.75Å; L255-K305 HydrophobicContact CD2-CD 3.67Å; L255-K305 HydrophobicContact CG-CD 4.4Å; Q298-K305 WeakPolarHBondContact O-CA 3.45Å; Q298-K305 PolarHBondContact O-N 3.06Å; E299-K305 WeakPolarHBondContact O-CD 3.31Å; C301-K305 WeakPolarHBondContact O-CB 3.29Å; C301-K305 PolarHBondContact O-N 3.04Å; K305-K307 PolarHBondContact O-N 3.23Å |
| 306 | D | 82.3 | Confident | 76.8 | Confident | 145 Ų | 145 | 78.5 Ų | 78.5 | 78% | 0.775 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 14.4 | -179.1 | -44.1 | -38.8 | 0 | 0 | 0 | 115.1 | C304 | C304-D306 PolarHBondContact O-N 3.02Š|
| 307 | K | 83.9 | Confident | 75.8 | Confident | 91 Ų | 91 | 81.6 Ų | 81.6 | 40% | 0.396 | 39% | 0.394 | S | S | . | . | trans | -107.9 | 150.5 | 178.1 | -53 | -164.5 | -170.6 | -173.3 | 0 | 112.2 | Q298 R303 C304 K305 F309 | Q298-K307 PolarHBondContact NE2-O 2.98Å; R303-K307 WeakPolarHBondContact O-CD 3.29Å; R303-K307 WeakPolarHBondContact O-CE 3.49Å; R303-K307 PolarHBondContact O-NZ 3.32Å; C304-K307 PolarHBondContact O-N 2.98Å; K305-K307 PolarHBondContact O-N 3.23Å; K307-F309 HydrophobicContact CB-CD1 3.96Å; K307-F309 HydrophobicContact CB-CE1 3.85Å; K307-F309 HydrophobicContact CB-CZ 4.29Å; K307-F309 HydrophobicContact CD-CD1 4.29Å; K307-F309 HydrophobicContact CD-CE1 3.34Å; K307-F309 HydrophobicContact CD-CE2 4.35Å; K307-F309 HydrophobicContact CD-CZ 3.38Å; K307-F309 HydrophobicContact CG-CE1 4.21Å; K307-F309 HydrophobicContact CG-CZ 4.44Å; K307-F309 PolarHBondContact O-N 2.96Å | ||
| 308 | R | 76.9 | Confident | 74.9 | Confident | 265 Ų | 265 | 76.5 Ų | 76.5 | 100% | 1 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -74.2 | -2 | 178.6 | -62.2 | -174.3 | -179.3 | -178 | 0.5 | 114.4 | ||
| 309 | F | 75.3 | Confident | 73.3 | Confident | 98 Ų | 98 | 80.1 Ų | 80.1 | 43% | 0.43 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -113.9 | 145 | 179.2 | 65.5 | -99.9 | 0 | 0 | 0 | 111.8 | R303 C304 K307 | R303-F309 HydrophobicContact CG-CE2 4.15Å; C304-F309 HydrophobicContact CB-CE2 4.46Å; C304-F309 WeakPolarHBondContact CB-O 3.4Å; K307-F309 HydrophobicContact CB-CD1 3.96Å; K307-F309 HydrophobicContact CB-CE1 3.85Å; K307-F309 HydrophobicContact CB-CZ 4.29Å; K307-F309 HydrophobicContact CD-CD1 4.29Å; K307-F309 HydrophobicContact CD-CE1 3.34Å; K307-F309 HydrophobicContact CD-CE2 4.35Å; K307-F309 HydrophobicContact CD-CZ 3.38Å; K307-F309 HydrophobicContact CG-CE1 4.21Å; K307-F309 HydrophobicContact CG-CZ 4.44Å; K307-F309 PolarHBondContact O-N 2.96Å |
| 310 | S | 72.9 | Confident | 71.7 | Confident | 69 Ų | 69 | 78.6 Ų | 78.6 | 48% | 0.483 | 39% | 0.39 | S | S | . | . | trans | -85.7 | 154.6 | 175.1 | 66.9 | 0 | 0 | 0 | 0 | 111.4 | G312 | S310-G312 PolarHBondContact O-N 3.09Š| ||
| 311 | C | 74.3 | Confident | 69.2 | Low | 2 Ų | 2 | 89.6 Ų | 89.6 | 1% | 0.014 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 0.3 | 171.6 | -72.4 | 0 | 0 | 0 | 0 | 113.8 | Y240 H296 C301 C304 | Y240-C311 HydrophobicContact CD1-CB 3.8Å; Y240-C311 HydrophobicContact CE1-CB 4.26Å; H296-C311 VanDerWaalsContact CE1-CB 3.49Å; H296-C311 WeakPolarHBondContact CE1-CB 3.33Å; H296-C311 VanDerWaalsContact CE1-SG 3.51Å; H296-C311 WeakPolarHBondContact NE2-CB 3.48Å; H296-C311 PolarHBondContact NE2-SG 2.79Å; H296-C311 VanDerWaalsContact NE2-SG 3.36Å; C301-C311 VanDerWaalsContact SG-SG 3.64Å; C304-C311 PolarHBondContact SG-SG 2.95Å |
| 312 | G | 62.3 | Low | 68.2 | Low | 51 Ų | 51 | 94 Ų | 94 | 53% | 0.526 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -11.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | S310 | S310-G312 PolarHBondContact O-N 3.09Š|
| 313 | N | 55.9 | Low | 67.3 | Low | 140 Ų | 140 | 97.3 Ų | 97.3 | 75% | 0.749 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -112.8 | 115 | 178.9 | -115.3 | -22.3 | 0 | 0 | 0 | 111.4 | Y315 | N313-Y315 PolarHBondContact O-N 3.27Š|
| 314 | I | 62.3 | Low | 66.2 | Low | 91 Ų | 91 | 101.8 Ų | 101.8 | 47% | 0.467 | 50% | 0.497 | S | S | . | . | trans | -83.8 | 105.1 | -170.3 | -61.8 | 163.5 | 0 | 0 | 0 | 108.2 | ||||
| 315 | Y | 55.8 | Low | 65.1 | Low | 177 Ų | 177 | 107.8 Ų | 107.8 | 69% | 0.694 | 53% | 0.526 | S | S | * | . | -170.1 | 106 | 129 | -82 | -68.7 | 0 | 0 | 0 | 106.2 | N313 F317 | N313-Y315 PolarHBondContact O-N 3.27Å; Y315-F317 HydrophobicContact CD1-CZ 4.36Å; Y315-F317 HydrophobicContact CG-CE2 4.38Å; Y315-F317 HydrophobicContact CG-CZ 4.26Å | |||
| 316 | S | 58.3 | Low | 63.8 | Low | 17 Ų | 17 | 110.3 Ų | 110.3 | 12% | 0.119 | 54% | 0.54 | C | S | . | . | trans | -105.2 | 103.6 | 169.4 | 39.4 | 0 | 0 | 0 | 0 | 109.1 | L220 R303 | L220-S316 WeakPolarHBondContact CB-OG 3.3Å; L220-S316 PolarHBondContact N-O 3.28Å; R303-S316 PolarHBondContact NH1-OG 3.34Å | ||
| 317 | F | 58.7 | Low | 62.6 | Low | 109 Ų | 109 | 108 Ų | 108 | 48% | 0.478 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 129.5 | 166.9 | -54.7 | -85.3 | 0 | 0 | 0 | 108.3 | F219 Y315 | F219-F317 HydrophobicContact CD1-CD1 4.28Å; F219-F317 HydrophobicContact CD1-CE1 4.27Å; F219-F317 AromaticContact CE1-CD1 3.84Å; F219-F317 HydrophobicContact CE1-CD1 3.84Å; F219-F317 AromaticContact CE1-CE1 3.55Å; F219-F317 HydrophobicContact CE1-CE1 3.55Å; F219-F317 HydrophobicContact CZ-CE1 4.31Å; Y315-F317 HydrophobicContact CD1-CZ 4.36Å; Y315-F317 HydrophobicContact CG-CE2 4.38Å; Y315-F317 HydrophobicContact CG-CZ 4.26Å |
| 318 | K | 63.5 | Low | 61.1 | Low | 49 Ų | 49 | 109.2 Ų | 109.2 | 21% | 0.213 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 114.2 | 158.5 | -173 | -173 | 175.3 | -165 | 0 | 107.1 | Q218 Y251 V320 | Q218-K318 HydrophobicContact CB-CB 4.19Å; Q218-K318 HydrophobicContact CB-CD 4.32Å; Q218-K318 PolarHBondContact N-O 3.48Å; Q218-K318 VanDerWaalsContact O-CB 3.29Å; Q218-K318 WeakPolarHBondContact O-CB 3.34Å; Q218-K318 PolarHBondContact O-N 3.22Å; Y251-K318 HydrophobicContact CD2-CD 4.21Å; Y251-K318 HydrophobicContact CE2-CD 3.51Å; Y251-K318 HydrophobicContact CE2-CG 4.28Å; K318-V320 HydrophobicContact CD-CG2 3.89Å; K318-V320 HydrophobicContact CG-CG2 4.03Å; K318-V320 PolarHBondContact O-N 3.31Å |
| 319 | H | 51 | Low | 59.9 | Low | 147 Ų | 147 | 97.2 Ų | 97.2 | 68% | 0.681 | 50% | 0.498 | S | S | * | . | trans | -74 | 116.4 | 163 | -73 | 69.3 | 0 | 0 | 0 | 106.7 | F217 | F217-H319 AromaticContact CE1-CD2 3.78Å; F217-H319 AromaticContact CE1-CE1 3.9Å; F217-H319 AromaticContact CE1-NE2 3.53Å | ||
| 320 | V | 51.5 | Low | 58.6 | Low | 67 Ų | 67 | 97.2 Ų | 97.2 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | trans | -103.2 | 108.5 | 164 | -172.9 | 0 | 0 | 0 | 0 | 104.5 | Q218 K318 | Q218-V320 HydrophobicContact CB-CG2 4.43Å; Q218-V320 HydrophobicContact CG-CG2 4.3Å; K318-V320 HydrophobicContact CD-CG2 3.89Å; K318-V320 HydrophobicContact CG-CG2 4.03Å; K318-V320 PolarHBondContact O-N 3.31Å | ||
| 321 | M | 36.1 | Very low | 57.3 | Low | 247 Ų | 247 | 99.7 Ų | 99.7 | 100% | 1.217 | 51% | 0.506 | S | S | * | . | trans | -80.7 | 0 | 174.8 | -170.5 | 177.9 | -68.3 | 0 | 0 | 109.6 |
Retrieved 321 of 321 residues in 162.6 ms
(Link to these results)