| 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 | P | 37 | Very low | 35.5 | Very low | 176 Ų | 176 | 145.7 Ų | 145.7 | 100% | 1.143 | 85% | 0.847 | S | S | * | * | 0 | 103.3 | 0 | 3.8 | 18.2 | 0 | 0 | 0 | 111 | |||||
| 2 | L | 39.9 | Very low | 35.3 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 83% | 0.827 | 85% | 0.847 | S | S | * | * | trans | 64.4 | 86 | 159.9 | -52.7 | 173.3 | 0 | 0 | 0 | 117 | ||||
| 3 | T | 37.7 | Very low | 35.2 | Very low | 129 Ų | 129 | 147.2 Ų | 147.2 | 79% | 0.791 | 85% | 0.852 | S | S | * | * | 60.4 | 113.3 | 78.2 | 67.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 4 | A | 38.3 | Very low | 34.9 | Very low | 104 Ų | 104 | 153.6 Ų | 153.6 | 86% | 0.86 | 86% | 0.856 | S | S | * | * | -177.2 | 109.4 | 114.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 5 | D | 33.9 | Very low | 34.8 | Very low | 160 Ų | 160 | 155.5 Ų | 155.5 | 86% | 0.856 | 85% | 0.852 | S | S | * | * | trans | -78.2 | 172 | 162.8 | -92 | -45 | 0 | 0 | 0 | 112.2 | ||||
| 6 | M | 33.4 | Very low | 34.6 | Very low | 173 Ų | 173 | 154.8 Ų | 154.8 | 85% | 0.852 | 85% | 0.853 | S | S | * | * | trans | 123.6 | 97.6 | 149.1 | -63.9 | -86.9 | -86.2 | 0 | 0 | 112.3 | ||||
| 7 | A | 34.8 | Very low | 34.6 | Very low | 77 Ų | 77 | 155.4 Ų | 155.4 | 64% | 0.636 | 85% | 0.853 | S | S | * | * | 70.4 | 105.7 | 68.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 8 | T | 36.1 | Very low | 34.6 | Very low | 135 Ų | 135 | 153.4 Ų | 153.4 | 83% | 0.828 | 85% | 0.852 | S | S | * | * | trans | 36 | 131.1 | 135.8 | 54.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 9 | C | 31.3 | Very low | 34.3 | Very low | 130 Ų | 130 | 149.2 Ų | 149.2 | 88% | 0.878 | 85% | 0.847 | S | S | * | * | -165.4 | 146.7 | 124.3 | -121.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 10 | T | 34.2 | Very low | 34.4 | Very low | 119 Ų | 119 | 148.8 Ų | 148.8 | 73% | 0.73 | 85% | 0.853 | S | S | * | * | trans | -87.3 | 158 | -177.8 | 48.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 11 | R | 34.3 | Very low | 34.4 | Very low | 242 Ų | 242 | 149.5 Ų | 149.5 | 91% | 0.913 | 85% | 0.848 | S | S | * | * | 168 | 137.1 | 120.9 | -93.8 | 171.5 | 174.1 | 165.5 | -1.1 | 114.2 | |||||
| 12 | N | 32.2 | Very low | 34.2 | Very low | 158 Ų | 158 | 149.1 Ų | 149.1 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | trans | -64.6 | 146.7 | 165.9 | -58 | -46.7 | 0 | 0 | 0 | 112.4 | ||||
| 13 | V | 35 | Very low | 34.2 | Very low | 152 Ų | 152 | 150.3 Ų | 150.3 | 92% | 0.921 | 83% | 0.83 | S | S | * | * | trans | -150.3 | 144 | 141.8 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 14 | W | 30.3 | Very low | 34 | Very low | 238 Ų | 238 | 151.9 Ų | 151.9 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | trans | -64.2 | 156 | -172 | -98.9 | 0.5 | 0 | 0 | 0 | 120.2 | ||||
| 15 | K | 33 | Very low | 33.9 | Very low | 182 Ų | 182 | 155.7 Ų | 155.7 | 79% | 0.791 | 84% | 0.838 | S | S | * | * | trans | 5.1 | 134.6 | 139.3 | -75.6 | 179.7 | 173 | 177.7 | 0 | 119.8 | ||||
| 16 | V | 31.6 | Very low | 33.9 | Very low | 144 Ų | 144 | 153.3 Ų | 153.3 | 87% | 0.873 | 83% | 0.834 | S | S | * | * | trans | -144.8 | 136.5 | 135.9 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 17 | L | 35.5 | Very low | 34.2 | Very low | 164 Ų | 164 | 150.1 Ų | 150.1 | 86% | 0.859 | 84% | 0.835 | S | S | * | * | trans | -86 | 144.2 | 175.3 | -84.4 | 150.3 | 0 | 0 | 0 | 112 | ||||
| 18 | S | 34.5 | Very low | 34.1 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 84% | 0.839 | 84% | 0.843 | S | S | * | * | trans | 162.7 | 128.1 | 146.1 | 41 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 19 | G | 29 | Very low | 34.2 | Very low | 73 Ų | 73 | 147 Ų | 147 | 75% | 0.753 | 84% | 0.837 | S | S | * | * | cis | 100.2 | 83.5 | 40.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 20 | C | 36 | Very low | 34.7 | Very low | 142 Ų | 142 | 146.8 Ų | 146.8 | 96% | 0.959 | 83% | 0.834 | S | S | * | * | trans | -163.3 | 133.3 | 151.6 | -117.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 21 | Q | 33.9 | Very low | 34.8 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 76% | 0.762 | 84% | 0.835 | S | S | * | * | trans | -78.3 | 158.6 | -176 | -107.7 | 174.2 | -11.6 | 0 | 0 | 113.5 | ||||
| 22 | K | 32.5 | Very low | 35 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 73% | 0.73 | 83% | 0.834 | S | S | * | * | trans | 79.2 | 116.6 | 143.5 | -72.8 | 168.3 | -176.5 | -176 | 0 | 119.7 | ||||
| 23 | Q | 39.9 | Very low | 35.2 | Very low | 183 Ų | 183 | 143.2 Ų | 143.2 | 86% | 0.855 | 83% | 0.83 | S | S | * | * | -179.3 | 99 | 113.1 | -93 | 172.4 | 4 | 0 | 0 | 107 | |||||
| 24 | L | 33.5 | Very low | 35.3 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | 48.6 | 104.6 | 93.5 | -70.6 | 176.8 | 0 | 0 | 0 | 114.4 | |||||
| 25 | L | 37.6 | Very low | 35.6 | Very low | 184 Ų | 184 | 135.4 Ų | 135.4 | 96% | 0.963 | 82% | 0.819 | S | S | * | * | trans | -147.3 | 131.7 | 134.5 | -95.5 | 173.3 | 0 | 0 | 0 | 109.5 | ||||
| 26 | S | 33.3 | Very low | 36 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -95.2 | 142.5 | -172.9 | 165.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 27 | A | 39.7 | Very low | 36.7 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | trans | -140.1 | 106.9 | 153 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 28 | G | 32.1 | Very low | 37 | Very low | 77 Ų | 77 | 130.3 Ų | 130.3 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -84.1 | 145.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 29 | G | 39.2 | Very low | 37.4 | Very low | 69 Ų | 69 | 128.4 Ų | 128.4 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | -119 | 147.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | S31 | G29-S31 PolarHBondContact O-N 3.41Š| ||
| 30 | P | 41.4 | Very low | 38.1 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -72.8 | 123.8 | -161.9 | 27.1 | -33.4 | 0 | 0 | 0 | 113.2 | ||||
| 31 | S | 35.3 | Very low | 38.3 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -81 | 117.2 | 166.7 | 51.7 | 0 | 0 | 0 | 0 | 110.5 | G29 S33 | G29-S31 PolarHBondContact O-N 3.41Å; S31-S33 PolarHBondContact O-N 3.19Å | ||
| 32 | Y | 39.5 | Very low | 38.9 | Very low | 229 Ų | 229 | 133.1 Ų | 133.1 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | trans | -80.1 | 105 | 158.6 | -79.7 | -84.6 | 0 | 0 | 0 | 108.7 | ||||
| 33 | S | 36.9 | Very low | 39.5 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -80.8 | 107.6 | 170.4 | 52.1 | 0 | 0 | 0 | 0 | 110 | S31 | S31-S33 PolarHBondContact O-N 3.19Š| ||
| 34 | A | 36.6 | Very low | 39.5 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -114.7 | 85.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | S36 | A34-S36 PolarHBondContact O-N 3.32Š| ||
| 35 | V | 36.9 | Very low | 40.2 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -73.3 | 102.7 | 170.4 | 175.3 | 0 | 0 | 0 | 0 | 107.2 | Q37 | V35-Q37 HydrophobicContact CG1-CG 4.41Å; V35-Q37 PolarHBondContact O-N 3.45Å | ||
| 36 | S | 41.6 | Very low | 40.6 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -77.4 | 110.9 | 161.1 | -177.4 | 0 | 0 | 0 | 0 | 107.9 | A34 A38 | A34-S36 PolarHBondContact O-N 3.32Å; S36-A38 VanDerWaalsContact C-N 3.28Å; S36-A38 PolarHBondContact O-N 2.88Å | ||
| 37 | Q | 45.9 | Very low | 41.1 | Very low | 188 Ų | 188 | 130.2 Ų | 130.2 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -69.8 | 86.1 | 169.8 | -71.8 | -176.3 | -11.5 | 0 | 0 | 109.2 | V35 | V35-Q37 HydrophobicContact CG1-CG 4.41Å; V35-Q37 PolarHBondContact O-N 3.45Å | ||
| 38 | A | 42.2 | Very low | 41.3 | Very low | 88 Ų | 88 | 134.2 Ų | 134.2 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -92.2 | 97.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | S36 | S36-A38 VanDerWaalsContact C-N 3.28Å; S36-A38 PolarHBondContact O-N 2.88Å | ||
| 39 | A | 43.3 | Very low | 41.6 | Very low | 80 Ų | 80 | 135 Ų | 135 | 66% | 0.661 | 78% | 0.778 | S | S | * | * | trans | -55.5 | 142 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110 | R41 | A39-R41 PolarHBondContact O-N 2.66Š| ||
| 40 | P | 43 | Very low | 41.8 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -65.6 | 105.7 | 175.5 | 26.3 | -31.6 | 0 | 0 | 0 | 109.1 | T42 | P40-T42 PolarHBondContact O-N 2.87Š| ||
| 41 | R | 39.8 | Very low | 41.9 | Very low | 230 Ų | 230 | 137 Ų | 137 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | -70.9 | 94.9 | 169.1 | -72.4 | -176.2 | 174.6 | 178.3 | -1.3 | 108.2 | A39 L43 | A39-R41 PolarHBondContact O-N 2.66Å; R41-L43 PolarHBondContact O-N 3.15Å | ||
| 42 | T | 45.9 | Very low | 42 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -64.9 | 98.1 | 162.1 | 48.2 | 0 | 0 | 0 | 0 | 108 | P40 P44 | P40-T42 PolarHBondContact O-N 2.87Å; T42-P44 WeakPolarHBondContact O-CD 3.3Å | ||
| 43 | L | 45.7 | Very low | 42.2 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -72 | 122.7 | 169.5 | -65 | 176.2 | 0 | 0 | 0 | 107.9 | R41 I45 | R41-L43 PolarHBondContact O-N 3.15Å; L43-I45 PolarHBondContact O-N 3.05Å | ||
| 44 | P | 39.8 | Very low | 42.1 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -66.3 | 120.2 | 174.7 | 26.3 | -31.5 | 0 | 0 | 0 | 109 | T42 R46 | T42-P44 WeakPolarHBondContact O-CD 3.3Å; P44-R46 PolarHBondContact O-N 3.17Å | ||
| 45 | I | 47.8 | Very low | 42 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | -66.7 | 98.8 | 170.3 | -63.6 | 167.5 | 0 | 0 | 0 | 106.8 | L43 T47 | L43-I45 PolarHBondContact O-N 3.05Å; I45-T47 HydrophobicContact CG2-CG2 4.18Å; I45-T47 PolarHBondContact O-N 2.98Å; I45-T47 VanDerWaalsContact O-N 3.11Å | ||
| 46 | R | 45.9 | Very low | 41.7 | Very low | 200 Ų | 200 | 148.5 Ų | 148.5 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -75.2 | 96.9 | 171.5 | -147.5 | -179.4 | -168.1 | -177.8 | 4.6 | 107.5 | P44 Y48 | P44-R46 PolarHBondContact O-N 3.17Å; R46-Y48 PolarHBondContact O-N 3.42Å; R46-Y48 VanDerWaalsContact O-N 3.11Å | ||
| 47 | T | 44.3 | Very low | 41.4 | Very low | 124 Ų | 124 | 150.9 Ų | 150.9 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | trans | -69.7 | 102.7 | 171 | 50.2 | 0 | 0 | 0 | 0 | 108.5 | I45 A49 | I45-T47 HydrophobicContact CG2-CG2 4.18Å; I45-T47 PolarHBondContact O-N 2.98Å; I45-T47 VanDerWaalsContact O-N 3.11Å; T47-A49 PolarHBondContact O-N 3.29Å | ||
| 48 | Y | 43.3 | Very low | 40.6 | Very low | 189 Ų | 189 | 151.9 Ų | 151.9 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -69.2 | 113.1 | 166.3 | -78.6 | -87 | 0 | 0 | 0 | 108.2 | R46 A50 | R46-Y48 PolarHBondContact O-N 3.42Å; R46-Y48 VanDerWaalsContact O-N 3.11Å; Y48-A50 PolarHBondContact O-N 2.82Å | ||
| 49 | A | 39.7 | Very low | 39.9 | Very low | 94 Ų | 94 | 157.3 Ų | 157.3 | 78% | 0.777 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 116.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | T47 V51 | T47-A49 PolarHBondContact O-N 3.29Å; A49-V51 PolarHBondContact O-N 2.73Å |
| 50 | A | 42.8 | Very low | 39.2 | Very low | 97 Ų | 97 | 161.8 Ų | 161.8 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 117.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y48 R52 | Y48-A50 PolarHBondContact O-N 2.82Å; A50-R52 PolarHBondContact O-N 2.67Å |
| 51 | V | 44.3 | Very low | 38.4 | Very low | 140 Ų | 140 | 165.2 Ų | 165.2 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 118.8 | 168.5 | 175.5 | 0 | 0 | 0 | 0 | 107.7 | A49 A53 | A49-V51 PolarHBondContact O-N 2.73Å; V51-A53 PolarHBondContact O-N 3Å; V51-A53 VanDerWaalsContact O-N 3.15Å |
| 52 | R | 37.7 | Very low | 38 | Very low | 237 Ų | 237 | 159.4 Ų | 159.4 | 89% | 0.894 | 83% | 0.829 | S | S | * | * | trans | -61.2 | 114.4 | 171.5 | -78.8 | -178.6 | 171.1 | 178 | -2.4 | 108.7 | A50 L54 | A50-R52 PolarHBondContact O-N 2.67Å; R52-L54 PolarHBondContact O-N 3.49Å | ||
| 53 | A | 41.7 | Very low | 37.1 | Very low | 97 Ų | 97 | 162.5 Ų | 162.5 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 120.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | V51 K55 | V51-A53 PolarHBondContact O-N 3Å; V51-A53 VanDerWaalsContact O-N 3.15Å; A53-K55 PolarHBondContact O-N 3.22Å |
| 54 | L | 36 | Very low | 36.2 | Very low | 169 Ų | 169 | 165.1 Ų | 165.1 | 89% | 0.885 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 124.9 | 168.6 | -78.9 | 154.5 | 0 | 0 | 0 | 109.2 | R52 K56 | R52-L54 PolarHBondContact O-N 3.49Å; L54-K56 PolarHBondContact O-N 3.1Å |
| 55 | K | 33.7 | Very low | 35.9 | Very low | 202 Ų | 202 | 168.8 Ų | 168.8 | 88% | 0.878 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -63 | 119.9 | 167.6 | -77.4 | -177 | 174.1 | -176.8 | 0 | 108.3 | A53 | A53-K55 PolarHBondContact O-N 3.22Š|
| 56 | K | 31.2 | Very low | 35.3 | Very low | 205 Ų | 205 | 170 Ų | 170 | 89% | 0.891 | 85% | 0.845 | S | S | * | * | trans | -112.6 | 115.8 | 167.5 | -131.8 | 178.7 | -174.5 | 178.4 | 0 | 107 | L54 K58 | L54-K56 PolarHBondContact O-N 3.1Å; K56-K58 PolarHBondContact O-N 3.33Å | ||
| 57 | D | 34.3 | Very low | 34.7 | Very low | 157 Ų | 157 | 170 Ų | 170 | 84% | 0.84 | 85% | 0.851 | S | S | * | * | trans | -62.4 | 126.2 | 176.9 | -59 | -50.9 | 0 | 0 | 0 | 110.5 | ||||
| 58 | K | 29.2 | Very low | 34.3 | Very low | 209 Ų | 209 | 173.7 Ų | 173.7 | 91% | 0.909 | 86% | 0.856 | S | S | * | * | trans | -142 | 121 | 158.6 | -93.7 | -169.5 | 174.9 | -173.8 | 0 | 109.9 | K56 | K56-K58 PolarHBondContact O-N 3.33Š| ||
| 59 | K | 27.4 | Very low | 34.1 | Very low | 202 Ų | 202 | 173 Ų | 173 | 88% | 0.878 | 86% | 0.86 | S | S | * | * | trans | -65.2 | 141 | 173.3 | -103.8 | 175.2 | 168.5 | -179.1 | 0 | 111.8 | ||||
| 60 | E | 28.9 | Very low | 34.1 | Very low | 175 Ų | 175 | 178.2 Ų | 178.2 | 82% | 0.818 | 87% | 0.865 | S | S | * | * | trans | 2.8 | 124.8 | 156 | -66.1 | 169.2 | 156.4 | 0 | 0 | 119.9 | ||||
| 61 | E | 27.5 | Very low | 33.8 | Very low | 190 Ų | 190 | 184.6 Ų | 184.6 | 89% | 0.888 | 87% | 0.868 | S | S | * | * | trans | -139.4 | 125.4 | 132.2 | -84.3 | -173.3 | 171.3 | 0 | 0 | 109 | K63 | E61-K63 PolarHBondContact O-N 3.27Š| ||
| 62 | A | 31 | Very low | 34 | Very low | 108 Ų | 108 | 184 Ų | 184 | 89% | 0.893 | 86% | 0.864 | S | S | * | * | trans | -66.7 | 118 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 63 | K | 27 | Very low | 34.2 | Very low | 195 Ų | 195 | 178.8 Ų | 178.8 | 85% | 0.848 | 85% | 0.853 | S | S | * | * | trans | -103.1 | 122.5 | 166.1 | -75.7 | -173.5 | 177.1 | -176.9 | 0 | 109.2 | E61 E65 | E61-K63 PolarHBondContact O-N 3.27Å; K63-E65 PolarHBondContact O-N 2.62Å | ||
| 64 | K | 27.4 | Very low | 34.5 | Very low | 202 Ų | 202 | 180.5 Ų | 180.5 | 88% | 0.878 | 85% | 0.849 | S | S | * | * | trans | -44.1 | 127.6 | 171.7 | -76 | 172.6 | 171.4 | 175.9 | 0 | 111 | E66 | K64-E66 PolarHBondContact O-N 2.61Å; K64-E66 VanDerWaalsContact O-N 3.1Å | ||
| 65 | E | 33.5 | Very low | 35.4 | Very low | 197 Ų | 197 | 177 Ų | 177 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | trans | -69.3 | 101.1 | 171.5 | -70.9 | -174.3 | 145.7 | 0 | 0 | 109.8 | K63 | K63-E65 PolarHBondContact O-N 2.62Š| ||
| 66 | E | 35.1 | Very low | 36.6 | Very low | 180 Ų | 180 | 176.1 Ų | 176.1 | 84% | 0.841 | 83% | 0.827 | S | S | * | * | trans | -70.3 | 128.4 | 161.5 | -73.1 | 175.8 | 168.6 | 0 | 0 | 108.6 | K64 K68 | K64-E66 PolarHBondContact O-N 2.61Å; K64-E66 VanDerWaalsContact O-N 3.1Å; E66-K68 PolarHBondContact O-N 3.42Å | ||
| 67 | K | 33 | Very low | 37.8 | Very low | 200 Ų | 200 | 173.9 Ų | 173.9 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | trans | -43.9 | 111.7 | 168.1 | -88.6 | 177.9 | 172.3 | 176.3 | 0 | 108.8 | E69 | K67-E69 VanDerWaalsContact C-N 3.3Å; K67-E69 PolarHBondContact O-N 2.95Å | ||
| 68 | K | 35.6 | Very low | 39.4 | Very low | 202 Ų | 202 | 173.7 Ų | 173.7 | 88% | 0.878 | 81% | 0.812 | S | S | * | * | trans | -62.6 | 96.4 | 168.4 | -75.9 | 177.2 | -179.8 | 168.9 | 0 | 107.7 | E66 K70 | E66-K68 PolarHBondContact O-N 3.42Å; K68-K70 PolarHBondContact O-N 3.31Å | ||
| 69 | E | 40 | Very low | 41.2 | Very low | 175 Ų | 175 | 169.1 Ų | 169.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -49 | 130.3 | 161.5 | -70.7 | -178.5 | 160.4 | 0 | 0 | 107.8 | K67 R71 | K67-E69 VanDerWaalsContact C-N 3.3Å; K67-E69 PolarHBondContact O-N 2.95Å; E69-R71 VanDerWaalsContact C-N 3.31Å; E69-R71 PolarHBondContact O-N 3.43Å | ||
| 70 | K | 38.8 | Very low | 43 | Very low | 204 Ų | 204 | 164.7 Ų | 164.7 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | trans | -56.2 | 99 | 173.6 | -77.8 | 176.8 | 177.1 | 173.2 | 0 | 107.1 | K68 V72 | K68-K70 PolarHBondContact O-N 3.31Å; K70-V72 PolarHBondContact O-N 3.31Å | ||
| 71 | R | 37.4 | Very low | 44.8 | Very low | 230 Ų | 230 | 159.2 Ų | 159.2 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | trans | -57 | 114.3 | 170.1 | -70.2 | -174.7 | -178.8 | -171.6 | -0.6 | 106.2 | E69 I73 | E69-R71 VanDerWaalsContact C-N 3.31Å; E69-R71 PolarHBondContact O-N 3.43Å; R71-I73 PolarHBondContact O-N 3.11Å | ||
| 72 | V | 47.5 | Very low | 46.6 | Very low | 127 Ų | 127 | 160.6 Ų | 160.6 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | -62.3 | 107.5 | 167.7 | 179 | 0 | 0 | 0 | 0 | 105.1 | K70 D74 | K70-V72 PolarHBondContact O-N 3.31Å; V72-D74 PolarHBondContact O-N 3.24Å | ||
| 73 | I | 42.1 | Very low | 48.5 | Very low | 129 Ų | 129 | 158.1 Ų | 158.1 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | trans | -71.4 | 111.8 | 174.9 | -61.2 | 170.8 | 0 | 0 | 0 | 105.4 | R71 D75 | R71-I73 PolarHBondContact O-N 3.11Å; I73-D75 VanDerWaalsContact C-N 3.29Å; I73-D75 PolarHBondContact O-N 3.06Å | ||
| 74 | D | 47.2 | Very low | 50.9 | Low | 132 Ų | 132 | 152.1 Ų | 152.1 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | trans | -69.4 | 88.7 | 172.9 | -82.7 | -36.4 | 0 | 0 | 0 | 109.2 | V72 K76 | V72-D74 PolarHBondContact O-N 3.24Å; D74-K76 PolarHBondContact O-N 2.85Å | ||
| 75 | D | 55.4 | Low | 53.1 | Low | 95 Ų | 95 | 146.5 Ų | 146.5 | 51% | 0.508 | 71% | 0.71 | S | S | . | * | G | 310 helix | trans | -73.2 | 20 | -178.3 | -88.4 | -25.7 | 0 | 0 | 0 | 113.9 | I73 D77 | I73-D75 VanDerWaalsContact C-N 3.29Å; I73-D75 PolarHBondContact O-N 3.06Å; D75-D77 VanDerWaalsContact C-N 3.32Å; D75-D77 PolarHBondContact O-N 3.12Å |
| 76 | K | 58.4 | Low | 55.2 | Low | 185 Ų | 185 | 138.2 Ų | 138.2 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -67.2 | -31 | -177.5 | -69.8 | -169 | -180 | 179.3 | 0 | 113.1 | D74 | D74-K76 PolarHBondContact O-N 2.85Š|
| 77 | D | 58.2 | Low | 57.1 | Low | 157 Ų | 157 | 134 Ų | 134 | 84% | 0.84 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -101.2 | 9.5 | -174.2 | -63.6 | -39.1 | 0 | 0 | 0 | 114 | D75 P79 | D75-D77 VanDerWaalsContact C-N 3.32Å; D75-D77 PolarHBondContact O-N 3.12Å; D77-P79 WeakPolarHBondContact O-CD 3.37Å |
| 78 | R | 67.3 | Low | 59.3 | Low | 153 Ų | 153 | 129.7 Ų | 129.7 | 58% | 0.577 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -75.7 | 121 | 177.6 | -165.6 | 176.3 | -168.1 | -175.9 | 5.6 | 110.2 | K80 W87 | R78-K80 PolarHBondContact O-N 3.5Å; R78-W87 HydrophobicContact CG-CZ2 4.44Å; R78-W87 PolarHBondContact O-NE1 3.41Å |
| 79 | P | 66.4 | Low | 61.7 | Low | 114 Ų | 114 | 121.5 Ų | 121.5 | 74% | 0.74 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 131.9 | 178 | 20.8 | -29.8 | 0 | 0 | 0 | 110.3 | D77 | D77-P79 WeakPolarHBondContact O-CD 3.37Š|
| 80 | K | 66.6 | Low | 63.7 | Low | 108 Ų | 108 | 119.5 Ų | 119.5 | 47% | 0.47 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -68.9 | 141.9 | -178 | -62.8 | 170.6 | -173.7 | 173.4 | 0 | 109.7 | R78 T85 | R78-K80 PolarHBondContact O-N 3.5Å; K80-T85 PolarHBondContact NZ-O 3.45Å |
| 81 | P | 66.6 | Low | 65.9 | Low | 61 Ų | 61 | 114.9 Ų | 114.9 | 40% | 0.396 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 144.4 | 168.2 | -20.2 | 30.7 | 0 | 0 | 0 | 110.9 | G83 K84 W87 | P81-G83 PolarHBondContact O-N 3.23Å; P81-K84 HydrophobicContact CG-CD 4.38Å; P81-K84 PolarHBondContact O-N 3.08Å; P81-W87 HydrophobicContact CG-CH2 4.4Å |
| 82 | F | 65.1 | Low | 68.2 | Low | 219 Ų | 219 | 111.7 Ų | 111.7 | 96% | 0.961 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | 131.4 | -179.6 | -169.1 | -96.1 | 0 | 0 | 0 | 111.5 | ||
| 83 | G | 69.7 | Low | 70 | Confident | 55 Ų | 55 | 112 Ų | 112 | 57% | 0.567 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.8 | -0.5 | 178 | 0 | 0 | 0 | 0 | 0 | 116.6 | P81 | P81-G83 PolarHBondContact O-N 3.23Š|
| 84 | K | 77.6 | Confident | 72.2 | Confident | 69 Ų | 69 | 109.9 Ų | 109.9 | 30% | 0.3 | 58% | 0.58 | S | S | . | * | trans | -98.3 | 136.4 | 171.2 | -66.7 | -175.1 | -179.3 | 176.3 | 0 | 111.9 | P81 F98 A100 | P81-K84 HydrophobicContact CG-CD 4.38Å; P81-K84 PolarHBondContact O-N 3.08Å; K84-F98 CarbonylContact C-O 3.58Å; K84-F98 VanDerWaalsContact CA-O 3.27Å; K84-F98 WeakPolarHBondContact CA-O 3.37Å; K84-F98 WeakPolarHBondContact CB-O 3.12Å; K84-A100 HydrophobicContact CD-CB 4.42Å; K84-A100 VanDerWaalsContact NZ-CB 3.34Å | ||
| 85 | T | 74.6 | Confident | 74.1 | Confident | 85 Ų | 85 | 107.9 Ų | 107.9 | 52% | 0.521 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -76.6 | -47.7 | 179.6 | -51.7 | 0 | 0 | 0 | 0 | 111.1 | K80 F98 | K80-T85 PolarHBondContact NZ-O 3.45Å; T85-F98 PolarHBondContact N-O 3.14Å |
| 86 | A | 76.1 | Confident | 75.5 | Confident | 22 Ų | 22 | 109 Ų | 109 | 18% | 0.182 | 57% | 0.572 | C | S | . | * | B | Isolated β-bridge | trans | -148.6 | 166.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y99 | A86-Y99 HydrophobicContact CB-CD1 4.5Å; A86-Y99 HydrophobicContact CB-CE1 4.04Å |
| 87 | W | 76.1 | Confident | 76.8 | Confident | 92 Ų | 92 | 110.5 Ų | 110.5 | 35% | 0.348 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -73.4 | -43.6 | 175.1 | -81.4 | 113.4 | 0 | 0 | 0 | 111.9 | R78 P81 A100 | R78-W87 HydrophobicContact CG-CZ2 4.44Å; R78-W87 PolarHBondContact O-NE1 3.41Å; P81-W87 HydrophobicContact CG-CH2 4.4Å; W87-A100 HydrophobicContact CE3-CB 4.27Å; W87-A100 HydrophobicContact CZ3-CB 4.41Å |
| 88 | V | 79.8 | Confident | 78.1 | Confident | 110 Ų | 110 | 107.3 Ų | 107.3 | 67% | 0.667 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -122.3 | 136.9 | 178 | -176.2 | 0 | 0 | 0 | 0 | 107.8 | ||
| 89 | P | 84.8 | Confident | 79 | Confident | 30 Ų | 30 | 102 Ų | 102 | 20% | 0.195 | 53% | 0.532 | C | S | . | . | trans | -66.2 | 140.5 | 172.1 | 29.7 | -35.5 | 0 | 0 | 0 | 110.8 | Y94 Y99 | P89-Y94 HydrophobicContact CB-CD1 3.38Å; P89-Y94 HydrophobicContact CB-CD2 3.91Å; P89-Y94 HydrophobicContact CB-CE1 3.82Å; P89-Y94 HydrophobicContact CB-CE2 4.29Å; P89-Y94 HydrophobicContact CB-CG 3.43Å; P89-Y94 VanDerWaalsContact CB-CG 3.43Å; P89-Y94 HydrophobicContact CG-CD1 3.57Å; P89-Y94 HydrophobicContact CG-CD2 4.13Å; P89-Y94 HydrophobicContact CG-CE1 3.42Å; P89-Y94 VanDerWaalsContact CG-CE1 3.42Å; P89-Y94 HydrophobicContact CG-CE2 3.99Å; P89-Y94 HydrophobicContact CG-CG 3.93Å; P89-Y99 VanDerWaalsContact CA-CE1 3.45Å; P89-Y99 HydrophobicContact CB-CD1 4Å; P89-Y99 HydrophobicContact CB-CE1 3.78Å | ||
| 90 | V | 83.2 | Confident | 79.8 | Confident | 133 Ų | 133 | 97.7 Ų | 97.7 | 81% | 0.806 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -81.4 | -38.7 | 175.4 | 178.8 | 0 | 0 | 0 | 0 | 110 | ||
| 91 | D | 83.8 | Confident | 80.7 | Confident | 106 Ų | 106 | 100 Ų | 100 | 57% | 0.567 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -95.2 | 153 | -178.7 | -52.4 | -47.7 | 0 | 0 | 0 | 111.2 | V93 Y94 | D91-V93 VanDerWaalsContact C-N 3.27Å; D91-V93 PolarHBondContact O-N 3.46Å; D91-Y94 WeakPolarHBondContact O-CD1 3.16Å |
| 92 | D | 85.1 | Confident | 81.7 | Confident | 163 Ų | 163 | 100.9 Ų | 100.9 | 87% | 0.872 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -65.5 | -32.9 | 175.5 | -64.6 | -31.7 | 0 | 0 | 0 | 112.2 | ||
| 93 | V | 87 | Confident | 82.9 | Confident | 135 Ų | 135 | 94.5 Ų | 94.5 | 82% | 0.818 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -104.7 | 112.6 | 178 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | D91 | D91-V93 VanDerWaalsContact C-N 3.27Å; D91-V93 PolarHBondContact O-N 3.46Å |
| 94 | Y | 87.9 | Confident | 84 | Confident | 84 Ų | 84 | 94.4 Ų | 94.4 | 33% | 0.329 | 48% | 0.475 | S | S | . | . | trans | -144.6 | 153.6 | -178.1 | 60.7 | -86.3 | 0 | 0 | 0 | 111.8 | P89 D91 K96 Y99 | P89-Y94 HydrophobicContact CB-CD1 3.38Å; P89-Y94 HydrophobicContact CB-CD2 3.91Å; P89-Y94 HydrophobicContact CB-CE1 3.82Å; P89-Y94 HydrophobicContact CB-CE2 4.29Å; P89-Y94 HydrophobicContact CB-CG 3.43Å; P89-Y94 VanDerWaalsContact CB-CG 3.43Å; P89-Y94 HydrophobicContact CG-CD1 3.57Å; P89-Y94 HydrophobicContact CG-CD2 4.13Å; P89-Y94 HydrophobicContact CG-CE1 3.42Å; P89-Y94 VanDerWaalsContact CG-CE1 3.42Å; P89-Y94 HydrophobicContact CG-CE2 3.99Å; P89-Y94 HydrophobicContact CG-CG 3.93Å; D91-Y94 WeakPolarHBondContact O-CD1 3.16Å; Y94-K96 HydrophobicContact CE2-CG 4.38Å; Y94-K96 PolarHBondContact O-N 3.17Å; Y94-Y99 AromaticContact CD2-CD2 3.53Å; Y94-Y99 HydrophobicContact CD2-CD2 3.53Å; Y94-Y99 AromaticContact CD2-CE2 3.96Å; Y94-Y99 HydrophobicContact CD2-CE2 3.96Å; Y94-Y99 AromaticContact CD2-CG 3.97Å; Y94-Y99 HydrophobicContact CD2-CG 3.97Å; Y94-Y99 HydrophobicContact CE2-CD2 4.36Å; Y94-Y99 HydrophobicContact CE2-CG 4.45Å; Y94-Y99 HydrophobicContact CG-CD2 4.24Å; Y94-Y99 HydrophobicContact CG-CE2 4.22Å | ||
| 95 | V | 86.5 | Confident | 84.8 | Confident | 89 Ų | 89 | 92.8 Ų | 92.8 | 54% | 0.539 | 47% | 0.473 | S | S | . | . | trans | -81.1 | 107.1 | 179.8 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | R97 F98 Y99 | V95-R97 HydrophobicContact CG1-CB 4.18Å; V95-R97 PolarHBondContact O-N 3.14Å; V95-F98 HydrophobicContact CB-CD2 3.83Å; V95-F98 HydrophobicContact CB-CE2 4.18Å; V95-F98 HydrophobicContact CG1-CD2 3.94Å; V95-F98 HydrophobicContact CG1-CE2 4.01Å; V95-F98 PolarHBondContact O-N 3.02Å; V95-Y99 VanDerWaalsContact O-CD2 3.31Å; V95-Y99 WeakPolarHBondContact O-CD2 2.92Å | ||
| 96 | K | 84.6 | Confident | 85.7 | Confident | 118 Ų | 118 | 88.8 Ų | 88.8 | 51% | 0.513 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -47.8 | -29.7 | -176.8 | -70.6 | 179.5 | -177.7 | 170.2 | 0 | 115.1 | Y94 F98 Y99 E306 | Y94-K96 HydrophobicContact CE2-CG 4.38Å; Y94-K96 PolarHBondContact O-N 3.17Å; K96-F98 VanDerWaalsContact C-N 3.28Å; K96-F98 PolarHBondContact O-N 3.01Å; K96-Y99 PolarHBondContact O-N 3.29Å; K96-E306 IonicContact NZ-OE1 2.69Å; K96-E306 PolarHBondContact NZ-OE1 3.4Å; K96-E306 IonicContact NZ-OE2 2.57Å; K96-E306 PolarHBondContact NZ-OE2 2.98Å |
| 97 | R | 85.8 | Confident | 86.5 | Confident | 218 Ų | 218 | 90 Ų | 90 | 82% | 0.823 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -60 | -33.1 | 179 | -175 | 177.8 | 177.4 | -178.6 | -0.6 | 113.4 | V95 | V95-R97 HydrophobicContact CG1-CB 4.18Å; V95-R97 PolarHBondContact O-N 3.14Å |
| 98 | F | 86.1 | Confident | 87.4 | Confident | 90 Ų | 90 | 89.4 Ų | 89.4 | 40% | 0.395 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -92 | -0.1 | -174.2 | -60.9 | -56.6 | 0 | 0 | 0 | 114.3 | K84 T85 V95 K96 | K84-F98 CarbonylContact C-O 3.58Å; K84-F98 VanDerWaalsContact CA-O 3.27Å; K84-F98 WeakPolarHBondContact CA-O 3.37Å; K84-F98 WeakPolarHBondContact CB-O 3.12Å; T85-F98 PolarHBondContact N-O 3.14Å; V95-F98 HydrophobicContact CB-CD2 3.83Å; V95-F98 HydrophobicContact CB-CE2 4.18Å; V95-F98 HydrophobicContact CG1-CD2 3.94Å; V95-F98 HydrophobicContact CG1-CE2 4.01Å; V95-F98 PolarHBondContact O-N 3.02Å; K96-F98 VanDerWaalsContact C-N 3.28Å; K96-F98 PolarHBondContact O-N 3.01Å |
| 99 | Y | 85 | Confident | 88.1 | Confident | 40 Ų | 40 | 84.2 Ų | 84.2 | 16% | 0.157 | 43% | 0.43 | C | S | . | . | B | Isolated β-bridge | trans | -122.4 | 158.4 | -175.8 | -62.6 | -90.9 | 0 | 0 | 0 | 111 | A86 P89 Y94 V95 K96 | A86-Y99 HydrophobicContact CB-CD1 4.5Å; A86-Y99 HydrophobicContact CB-CE1 4.04Å; P89-Y99 VanDerWaalsContact CA-CE1 3.45Å; P89-Y99 HydrophobicContact CB-CD1 4Å; P89-Y99 HydrophobicContact CB-CE1 3.78Å; Y94-Y99 AromaticContact CD2-CD2 3.53Å; Y94-Y99 HydrophobicContact CD2-CD2 3.53Å; Y94-Y99 AromaticContact CD2-CE2 3.96Å; Y94-Y99 HydrophobicContact CD2-CE2 3.96Å; Y94-Y99 AromaticContact CD2-CG 3.97Å; Y94-Y99 HydrophobicContact CD2-CG 3.97Å; Y94-Y99 HydrophobicContact CE2-CD2 4.36Å; Y94-Y99 HydrophobicContact CE2-CG 4.45Å; Y94-Y99 HydrophobicContact CG-CD2 4.24Å; Y94-Y99 HydrophobicContact CG-CE2 4.22Å; V95-Y99 VanDerWaalsContact O-CD2 3.31Å; V95-Y99 WeakPolarHBondContact O-CD2 2.92Å; K96-Y99 PolarHBondContact O-N 3.29Å |
| 100 | A | 83.4 | Confident | 88.5 | Confident | 24 Ų | 24 | 82.9 Ų | 82.9 | 20% | 0.198 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 141 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | K84 W87 V102 | K84-A100 HydrophobicContact CD-CB 4.42Å; K84-A100 VanDerWaalsContact NZ-CB 3.34Å; W87-A100 HydrophobicContact CE3-CB 4.27Å; W87-A100 HydrophobicContact CZ3-CB 4.41Å; A100-V102 PolarHBondContact O-N 2.92Å |
| 101 | R | 85.4 | Confident | 89.1 | Confident | 158 Ų | 158 | 79.4 Ų | 79.4 | 60% | 0.596 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 132.1 | 169.6 | -70.9 | -172.5 | 176.1 | -133.6 | 2 | 108.9 | W309 | R101-W309 HydrophobicContact CB-CD2 4.41Å; R101-W309 VanDerWaalsContact CD-CE2 3.41Å; R101-W309 VanDerWaalsContact NH1-NE1 3.18Å |
| 102 | V | 87.6 | Confident | 89.5 | Confident | 79 Ų | 79 | 76.6 Ų | 76.6 | 48% | 0.479 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 136.7 | 175.7 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | A100 | A100-V102 PolarHBondContact O-N 2.92Š|
| 103 | I | 91.3 | Very high | 90 | Very high | 85 Ų | 85 | 68.9 Ų | 68.9 | 44% | 0.436 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117.4 | 176.9 | -51 | 174.6 | 0 | 0 | 0 | 107.2 | W309 R311 | I103-W309 WeakPolarHBondContact CA-O 3.39Å; I103-R311 HydrophobicContact CG2-CG 3.52Å |
| 104 | H | 93 | Very high | 90.2 | Very high | 52 Ų | 52 | 64.3 Ų | 64.3 | 24% | 0.241 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 171.1 | -176.5 | -62.3 | -79.2 | 0 | 0 | 0 | 111.9 | S109 I308 W309 F310 R311 | H104-S109 WeakPolarHBondContact CB-OG 3.12Å; H104-I308 HydrophobicContact CB-CG2 4.31Å; H104-W309 PolarHBondContact N-O 3.01Å; H104-F310 CarbonylContact O-C 3.57Å; H104-F310 VanDerWaalsContact O-CA 3.23Å; H104-F310 WeakPolarHBondContact O-CA 3.41Å; H104-R311 PolarHBondContact O-N 3.33Å |
| 105 | S | 94.1 | Very high | 90.5 | Very high | 36 Ų | 36 | 67.8 Ų | 67.8 | 25% | 0.252 | 32% | 0.323 | S | S | . | . | trans | -75.5 | 158.5 | 164 | 81.2 | 0 | 0 | 0 | 0 | 109.9 | A107 D108 S109 | S105-A107 VanDerWaalsContact C-N 3.35Å; S105-A107 PolarHBondContact O-N 3.18Å; S105-D108 WeakPolarHBondContact CB-OD2 3.12Å; S105-D108 PolarHBondContact O-N 3.3Å; S105-D108 WeakPolarHBondContact OG-CB 3.3Å; S105-D108 PolarHBondContact OG-N 3Å; S105-D108 VanDerWaalsContact OG-N 3.14Å; S105-D108 PolarHBondContact OG-OD2 2.77Å; S105-S109 WeakPolarHBondContact O-CB 3.15Å; S105-S109 PolarHBondContact O-N 3.33Å; S105-S109 PolarHBondContact O-OG 3.33Å | ||
| 106 | A | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S109 I110 F273 F310 V315 | A106-S109 WeakPolarHBondContact O-CB 3.28Å; A106-S109 PolarHBondContact O-N 2.76Å; A106-I110 WeakPolarHBondContact O-CG1 3.4Å; A106-I110 PolarHBondContact O-N 3.05Å; A106-I110 VanDerWaalsContact O-N 3.1Å; A106-F273 HydrophobicContact CB-CD2 4.32Å; A106-F273 HydrophobicContact CB-CE2 3.97Å; A106-F310 HydrophobicContact CB-CD2 3.84Å; A106-F310 HydrophobicContact CB-CE2 4.33Å; A106-V315 HydrophobicContact CB-CG2 3.23Å |
| 107 | A | 93.3 | Very high | 91.2 | Very high | 47 Ų | 47 | 62 Ų | 62 | 39% | 0.388 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.7 | -48.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S105 S109 I110 D111 | S105-A107 VanDerWaalsContact C-N 3.35Å; S105-A107 PolarHBondContact O-N 3.18Å; A107-S109 PolarHBondContact O-N 3.39Å; A107-I110 PolarHBondContact O-N 2.95Å; A107-I110 VanDerWaalsContact O-N 3.15Å; A107-D111 PolarHBondContact O-N 2.85Å; A107-D111 VanDerWaalsContact O-N 3.11Å |
| 108 | D | 94.3 | Very high | 91.4 | Very high | 81 Ų | 81 | 58.8 Ų | 58.8 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.8 | -36.9 | 177.1 | -59.7 | -34.4 | 0 | 0 | 0 | 111.4 | S105 D111 M112 | S105-D108 WeakPolarHBondContact CB-OD2 3.12Å; S105-D108 PolarHBondContact O-N 3.3Å; S105-D108 WeakPolarHBondContact OG-CB 3.3Å; S105-D108 PolarHBondContact OG-N 3Å; S105-D108 VanDerWaalsContact OG-N 3.14Å; S105-D108 PolarHBondContact OG-OD2 2.77Å; D108-D111 PolarHBondContact O-N 3.12Å; D108-M112 WeakPolarHBondContact O-CB 3.29Å; D108-M112 WeakPolarHBondContact O-CG 3.34Å; D108-M112 PolarHBondContact O-N 3.23Å |
| 109 | S | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 178.6 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | H104 S105 A106 A107 M112 L113 F310 | H104-S109 WeakPolarHBondContact CB-OG 3.12Å; S105-S109 WeakPolarHBondContact O-CB 3.15Å; S105-S109 PolarHBondContact O-N 3.33Å; S105-S109 PolarHBondContact O-OG 3.33Å; A106-S109 WeakPolarHBondContact O-CB 3.28Å; A106-S109 PolarHBondContact O-N 2.76Å; A107-S109 PolarHBondContact O-N 3.39Å; S109-M112 PolarHBondContact O-N 2.9Å; S109-L113 WeakPolarHBondContact O-CG 2.99Å; S109-L113 PolarHBondContact O-N 2.92Å; S109-F310 WeakPolarHBondContact OG-CB 3.41Å |
| 110 | I | 94.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 175.9 | -66.2 | 162.7 | 0 | 0 | 0 | 110.3 | A106 A107 M112 L113 K114 I272 F273 M300 | A106-I110 WeakPolarHBondContact O-CG1 3.4Å; A106-I110 PolarHBondContact O-N 3.05Å; A106-I110 VanDerWaalsContact O-N 3.1Å; A107-I110 PolarHBondContact O-N 2.95Å; A107-I110 VanDerWaalsContact O-N 3.15Å; I110-M112 VanDerWaalsContact C-N 3.35Å; I110-M112 PolarHBondContact O-N 2.92Å; I110-L113 PolarHBondContact O-N 2.8Å; I110-K114 PolarHBondContact O-N 2.96Å; I110-K114 VanDerWaalsContact O-N 3.09Å; I110-I272 HydrophobicContact CD1-CB 4.26Å; I110-I272 HydrophobicContact CD1-CG2 3.94Å; I110-I272 HydrophobicContact CG1-CG2 4Å; I110-I272 HydrophobicContact CG2-CB 4.27Å; I110-I272 HydrophobicContact CG2-CD1 4.01Å; I110-I272 HydrophobicContact CG2-CG2 4.25Å; I110-F273 HydrophobicContact CD1-CB 3.91Å; I110-F273 HydrophobicContact CD1-CD2 4.2Å; I110-M300 HydrophobicContact CD1-CE 4.47Å; I110-M300 HydrophobicContact CG1-CE 3.61Å; I110-M300 HydrophobicContact CG1-SD 4.27Å |
| 111 | D | 94.4 | Very high | 92.2 | Very high | 60 Ų | 60 | 70.3 Ų | 70.3 | 32% | 0.321 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.7 | -37.5 | 179.4 | -73.4 | -13.2 | 0 | 0 | 0 | 112.2 | A107 D108 K114 R115 S269 | A107-D111 PolarHBondContact O-N 2.85Å; A107-D111 VanDerWaalsContact O-N 3.11Å; D108-D111 PolarHBondContact O-N 3.12Å; D111-K114 PolarHBondContact O-N 3.08Å; D111-R115 VanDerWaalsContact O-CG 3.26Å; D111-R115 WeakPolarHBondContact O-CG 3.3Å; D111-R115 PolarHBondContact O-N 3.13Å; D111-S269 PolarHBondContact OD1-OG 2.92Å; D111-S269 VanDerWaalsContact OD1-OG 3.09Å |
| 112 | M | 94 | Very high | 92.5 | Very high | 48 Ų | 48 | 64.1 Ų | 64.1 | 24% | 0.236 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.8 | -46 | 172.7 | -75.5 | -179.8 | -171.6 | 0 | 0 | 111.7 | D108 S109 I110 K114 R115 F116 I308 | D108-M112 WeakPolarHBondContact O-CB 3.29Å; D108-M112 WeakPolarHBondContact O-CG 3.34Å; D108-M112 PolarHBondContact O-N 3.23Å; S109-M112 PolarHBondContact O-N 2.9Å; I110-M112 VanDerWaalsContact C-N 3.35Å; I110-M112 PolarHBondContact O-N 2.92Å; M112-K114 VanDerWaalsContact C-N 3.31Å; M112-K114 PolarHBondContact O-N 3.49Å; M112-R115 WeakPolarHBondContact O-CB 3.47Å; M112-R115 PolarHBondContact O-N 3.24Å; M112-R115 VanDerWaalsContact O-N 3.11Å; M112-F116 HydrophobicContact CB-CE2 4.22Å; M112-F116 HydrophobicContact CB-CZ 4.22Å; M112-F116 WeakPolarHBondContact O-CD2 3.36Å; M112-F116 WeakPolarHBondContact O-CG 3.33Å; M112-F116 PolarHBondContact O-N 2.87Å; M112-I308 HydrophobicContact CB-CD1 3.54Å; M112-I308 HydrophobicContact SD-CD1 4.39Å |
| 113 | L | 93.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 177.9 | -71.9 | 173.7 | 0 | 0 | 0 | 112.1 | S109 I110 F116 Q117 V128 L265 M300 I308 | S109-L113 WeakPolarHBondContact O-CG 2.99Å; S109-L113 PolarHBondContact O-N 2.92Å; I110-L113 PolarHBondContact O-N 2.8Å; L113-F116 HydrophobicContact CD2-CD2 4.4Å; L113-F116 PolarHBondContact O-N 3.43Å; L113-Q117 PolarHBondContact O-N 3.36Å; L113-V128 HydrophobicContact CD1-CG1 4.06Å; L113-L265 HydrophobicContact CB-CD2 3.97Å; L113-M300 HydrophobicContact CD1-CB 3.85Å; L113-M300 HydrophobicContact CD1-CE 4.12Å; L113-I308 HydrophobicContact CD2-CD1 3.87Å; L113-I308 HydrophobicContact CD2-CG1 4.27Å; L113-I308 HydrophobicContact CG-CD1 3.84Å |
| 114 | K | 92.9 | Very high | 92.4 | Very high | 39 Ų | 39 | 62.1 Ų | 62.1 | 17% | 0.17 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.8 | -37.4 | 174.4 | -72.4 | -178.3 | 171.9 | -174.6 | 0 | 112.9 | I110 D111 M112 K118 L265 M267 S269 | I110-K114 PolarHBondContact O-N 2.96Å; I110-K114 VanDerWaalsContact O-N 3.09Å; D111-K114 PolarHBondContact O-N 3.08Å; M112-K114 VanDerWaalsContact C-N 3.31Å; M112-K114 PolarHBondContact O-N 3.49Å; K114-K118 WeakPolarHBondContact O-CG 3.44Å; K114-K118 PolarHBondContact O-N 3.03Å; K114-L265 WeakPolarHBondContact CE-O 3.28Å; K114-L265 HydrophobicContact CG-CD2 4.14Å; K114-M267 VanDerWaalsContact CE-O 3.25Å; K114-M267 WeakPolarHBondContact CE-O 3.13Å; K114-M267 PolarHBondContact NZ-O 2.69Å; K114-S269 PolarHBondContact NZ-OG 2.96Å |
| 115 | R | 93 | Very high | 92.3 | Very high | 156 Ų | 156 | 64.9 Ų | 64.9 | 59% | 0.589 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -66.1 | -43.1 | 174.1 | -71.3 | 171.2 | -168.2 | 173.1 | 6.6 | 111.1 | D111 M112 Q117 K118 L119 | D111-R115 VanDerWaalsContact O-CG 3.26Å; D111-R115 WeakPolarHBondContact O-CG 3.3Å; D111-R115 PolarHBondContact O-N 3.13Å; M112-R115 WeakPolarHBondContact O-CB 3.47Å; M112-R115 PolarHBondContact O-N 3.24Å; M112-R115 VanDerWaalsContact O-N 3.11Å; R115-Q117 PolarHBondContact O-N 2.99Å; R115-K118 PolarHBondContact O-N 2.98Å; R115-L119 WeakPolarHBondContact O-CG 3.33Å; R115-L119 PolarHBondContact O-N 3.4Å |
| 116 | F | 92.8 | Very high | 92.2 | Very high | 60 Ų | 60 | 63.4 Ų | 63.4 | 26% | 0.263 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 177 | -63.2 | -22.7 | 0 | 0 | 0 | 111.3 | M112 L113 K118 L119 D120 I308 | M112-F116 HydrophobicContact CB-CE2 4.22Å; M112-F116 HydrophobicContact CB-CZ 4.22Å; M112-F116 WeakPolarHBondContact O-CD2 3.36Å; M112-F116 WeakPolarHBondContact O-CG 3.33Å; M112-F116 PolarHBondContact O-N 2.87Å; L113-F116 HydrophobicContact CD2-CD2 4.4Å; L113-F116 PolarHBondContact O-N 3.43Å; F116-K118 VanDerWaalsContact C-N 3.27Å; F116-K118 PolarHBondContact O-N 3.29Å; F116-L119 PolarHBondContact O-N 3.09Å; F116-D120 VanDerWaalsContact O-CB 3.32Å; F116-D120 WeakPolarHBondContact O-CB 3.32Å; F116-D120 PolarHBondContact O-N 3.46Å; F116-I308 HydrophobicContact CD2-CD1 4.2Å; F116-I308 HydrophobicContact CE2-CD1 3.57Å; F116-I308 HydrophobicContact CE2-CG1 4.03Å; F116-I308 HydrophobicContact CZ-CD1 4.43Å |
| 117 | Q | 92.6 | Very high | 92.2 | Very high | 25 Ų | 25 | 64.1 Ų | 64.1 | 12% | 0.117 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.7 | -40.3 | 176.3 | 176.2 | -99.9 | -29.9 | 0 | 0 | 113.3 | L113 R115 F121 T122 A124 L265 | L113-Q117 PolarHBondContact O-N 3.36Å; R115-Q117 PolarHBondContact O-N 2.99Å; Q117-F121 PolarHBondContact O-N 3.13Å; Q117-T122 PolarHBondContact NE2-O 3.39Å; Q117-T122 PolarHBondContact O-N 3.38Å; Q117-T122 VanDerWaalsContact O-N 3.17Å; Q117-T122 PolarHBondContact O-OG1 3.44Å; Q117-A124 VanDerWaalsContact NE2-CA 3.3Å; Q117-L265 HydrophobicContact CB-CD1 3.61Å; Q117-L265 HydrophobicContact CG-CD1 3.88Å |
| 118 | K | 91 | Very high | 92.3 | Very high | 151 Ų | 151 | 61.9 Ų | 61.9 | 66% | 0.657 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.9 | -42.3 | 174.5 | -68.2 | 177.5 | -178.6 | -177.4 | 0 | 113.1 | K114 R115 F116 D120 F121 | K114-K118 WeakPolarHBondContact O-CG 3.44Å; K114-K118 PolarHBondContact O-N 3.03Å; R115-K118 PolarHBondContact O-N 2.98Å; F116-K118 VanDerWaalsContact C-N 3.27Å; F116-K118 PolarHBondContact O-N 3.29Å; K118-D120 VanDerWaalsContact C-N 3.35Å; K118-F121 PolarHBondContact O-N 3.44Å |
| 119 | L | 91.7 | Very high | 92.3 | Very high | 122 Ų | 122 | 60.5 Ų | 60.5 | 64% | 0.639 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -69.5 | -34.8 | 180 | -69.4 | 172 | 0 | 0 | 0 | 112.1 | R115 F116 F121 | R115-L119 WeakPolarHBondContact O-CG 3.33Å; R115-L119 PolarHBondContact O-N 3.4Å; F116-L119 PolarHBondContact O-N 3.09Å; L119-F121 VanDerWaalsContact O-CD2 3.29Å; L119-F121 WeakPolarHBondContact O-CD2 3.21Å; L119-F121 WeakPolarHBondContact O-CE2 3.49Å; L119-F121 PolarHBondContact O-N 3.37Å |
| 120 | D | 89.3 | Confident | 92.4 | Very high | 80 Ų | 80 | 60.6 Ų | 60.6 | 43% | 0.428 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -3.5 | -179.8 | -62.5 | -23.4 | 0 | 0 | 0 | 112.2 | F116 K118 T122 | F116-D120 VanDerWaalsContact O-CB 3.32Å; F116-D120 WeakPolarHBondContact O-CB 3.32Å; F116-D120 PolarHBondContact O-N 3.46Å; K118-D120 VanDerWaalsContact C-N 3.35Å; D120-T122 HydrophobicContact CB-CG2 3.82Å; D120-T122 PolarHBondContact O-N 3.16Å |
| 121 | F | 90.4 | Very high | 92.4 | Very high | 194 Ų | 194 | 62.4 Ų | 62.4 | 85% | 0.851 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 39.9 | -175.6 | -61.2 | -86.3 | 0 | 0 | 0 | 113.3 | Q117 K118 L119 | Q117-F121 PolarHBondContact O-N 3.13Å; K118-F121 PolarHBondContact O-N 3.44Å; L119-F121 VanDerWaalsContact O-CD2 3.29Å; L119-F121 WeakPolarHBondContact O-CD2 3.21Å; L119-F121 WeakPolarHBondContact O-CE2 3.49Å; L119-F121 PolarHBondContact O-N 3.37Å |
| 122 | T | 91.6 | Very high | 92.4 | Very high | 29 Ų | 29 | 59.6 Ų | 59.6 | 18% | 0.178 | 29% | 0.292 | C | S | . | . | trans | -99.2 | 160.5 | -176.7 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | Q117 D120 Q126 T304 | Q117-T122 PolarHBondContact NE2-O 3.39Å; Q117-T122 PolarHBondContact O-N 3.38Å; Q117-T122 VanDerWaalsContact O-N 3.17Å; Q117-T122 PolarHBondContact O-OG1 3.44Å; D120-T122 HydrophobicContact CB-CG2 3.82Å; D120-T122 PolarHBondContact O-N 3.16Å; T122-Q126 PolarHBondContact OG1-NE2 3Å; T122-T304 HydrophobicContact CG2-CG2 3.94Å | ||
| 123 | P | 90.5 | Very high | 92.3 | Very high | 81 Ų | 81 | 60.5 Ų | 60.5 | 53% | 0.526 | 30% | 0.295 | S | S | . | . | trans | -66.6 | 150.3 | -174.9 | 31.6 | -39.4 | 0 | 0 | 0 | 111.7 | D125 Q126 | P123-D125 VanDerWaalsContact C-N 3.32Å; P123-D125 VanDerWaalsContact CB-OD1 3.29Å; P123-D125 WeakPolarHBondContact CB-OD1 3.42Å; P123-D125 PolarHBondContact O-N 3.21Å; P123-Q126 HydrophobicContact CG-CG 4.38Å; P123-Q126 WeakPolarHBondContact O-CG 3.49Å | ||
| 124 | A | 87.1 | Confident | 92.2 | Very high | 41 Ų | 41 | 60.6 Ų | 60.6 | 34% | 0.339 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -23 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q117 Q126 L265 D266 | Q117-A124 VanDerWaalsContact NE2-CA 3.3Å; A124-Q126 PolarHBondContact O-N 3Å; A124-Q126 VanDerWaalsContact O-N 3.16Å; A124-L265 CarbonylContact O-C 3.55Å; A124-L265 WeakPolarHBondContact O-CB 3.29Å; A124-D266 PolarHBondContact O-N 2.96Å |
| 125 | D | 90 | Very high | 91.9 | Very high | 110 Ų | 110 | 60.6 Ų | 60.6 | 59% | 0.588 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | 13.1 | -178.6 | 66 | -22 | 0 | 0 | 0 | 113.9 | P123 | P123-D125 VanDerWaalsContact C-N 3.32Å; P123-D125 VanDerWaalsContact CB-OD1 3.29Å; P123-D125 WeakPolarHBondContact CB-OD1 3.42Å; P123-D125 PolarHBondContact O-N 3.21Å |
| 126 | Q | 91.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 2% | 0.023 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 135.9 | -180 | -86 | -176.7 | -3.7 | 0 | 0 | 112.9 | T122 P123 A124 T264 L265 S302 T304 | T122-Q126 PolarHBondContact OG1-NE2 3Å; P123-Q126 HydrophobicContact CG-CG 4.38Å; P123-Q126 WeakPolarHBondContact O-CG 3.49Å; A124-Q126 PolarHBondContact O-N 3Å; A124-Q126 VanDerWaalsContact O-N 3.16Å; Q126-T264 CarbonylContact O-C 3.38Å; Q126-T264 VanDerWaalsContact O-CA 3.25Å; Q126-T264 WeakPolarHBondContact O-CA 3.47Å; Q126-L265 HydrophobicContact CB-CD1 3.92Å; Q126-L265 HydrophobicContact CB-CG 4.31Å; Q126-L265 PolarHBondContact O-N 3.35Å; Q126-S302 PolarHBondContact OE1-OG 3.11Å; Q126-T304 PolarHBondContact NE2-OG1 3.28Å; Q126-T304 PolarHBondContact OE1-OG1 3.25Å |
| 127 | P | 93.4 | Very high | 90.7 | Very high | 14 Ų | 14 | 58.8 Ų | 58.8 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 135.6 | 177.6 | 31.4 | -34.6 | 0 | 0 | 0 | 111.4 | Y129 Q261 Q303 | P127-Y129 HydrophobicContact CB-CE2 4.05Å; P127-Y129 HydrophobicContact CG-CE2 3.72Å; P127-Q261 HydrophobicContact CB-CG 3.94Å; P127-Q303 HydrophobicContact CG-CG 3.69Å |
| 128 | V | 94.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 123.3 | 172.4 | -176.5 | 0 | 0 | 0 | 0 | 109 | L113 Q261 I262 A263 L265 M300 | L113-V128 HydrophobicContact CD1-CG1 4.06Å; V128-Q261 WeakPolarHBondContact O-CA 3.32Å; V128-I262 HydrophobicContact CB-CD1 4.41Å; V128-I262 HydrophobicContact CB-CG1 4.01Å; V128-I262 HydrophobicContact CG1-CD1 3.8Å; V128-I262 HydrophobicContact CG1-CG1 3.87Å; V128-I262 WeakPolarHBondContact O-CG1 3.45Å; V128-I262 PolarHBondContact O-N 3.2Å; V128-A263 PolarHBondContact N-O 2.65Å; V128-L265 HydrophobicContact CG2-CD2 3.34Å; V128-L265 HydrophobicContact CG2-CG 3.66Å; V128-M300 HydrophobicContact CG1-CE 4.01Å |
| 129 | Y | 95 | Very high | 88.6 | Confident | 52 Ų | 52 | 61.9 Ų | 61.9 | 20% | 0.204 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 146.3 | 175.4 | -61.1 | -78.4 | 0 | 0 | 0 | 111.1 | P127 T260 Q261 M300 S301 Q303 | P127-Y129 HydrophobicContact CB-CE2 4.05Å; P127-Y129 HydrophobicContact CG-CE2 3.72Å; Y129-T260 WeakPolarHBondContact CA-O 3.29Å; Y129-Q261 HydrophobicContact CD1-CB 3.93Å; Y129-Q261 HydrophobicContact CE1-CB 3.8Å; Y129-Q261 HydrophobicContact CE1-CG 4.32Å; Y129-M300 WeakPolarHBondContact O-CA 3.37Å; Y129-S301 PolarHBondContact N-O 2.84Å; Y129-S301 PolarHBondContact O-N 3.47Å; Y129-Q303 HydrophobicContact CE2-CG 4.06Å |
| 130 | I | 95.3 | Very high | 87.3 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 132.2 | 165.6 | -57.8 | -179.2 | 0 | 0 | 0 | 108.5 | L132 R259 T260 I262 L276 I299 M300 F310 | I130-L132 HydrophobicContact CG2-CD1 4.46Å; I130-L132 HydrophobicContact CG2-CD2 3.43Å; I130-L132 VanDerWaalsContact CG2-CD2 3.43Å; I130-L132 HydrophobicContact CG2-CG 3.68Å; I130-R259 WeakPolarHBondContact O-CA 3.43Å; I130-T260 PolarHBondContact N-O 3.06Å; I130-T260 PolarHBondContact O-N 3.39Å; I130-I262 HydrophobicContact CB-CG2 4.26Å; I130-I262 HydrophobicContact CD1-CB 4.24Å; I130-I262 HydrophobicContact CD1-CD1 3.61Å; I130-I262 HydrophobicContact CD1-CG1 4.22Å; I130-I262 HydrophobicContact CD1-CG2 3.35Å; I130-I262 HydrophobicContact CG1-CB 4.42Å; I130-I262 HydrophobicContact CG1-CD1 3.68Å; I130-I262 HydrophobicContact CG1-CG1 4.07Å; I130-I262 HydrophobicContact CG1-CG2 3.56Å; I130-L276 HydrophobicContact CD1-CB 4.19Å; I130-L276 HydrophobicContact CD1-CD1 3.46Å; I130-L276 VanDerWaalsContact CD1-CD1 3.46Å; I130-L276 HydrophobicContact CD1-CG 3.44Å; I130-L276 VanDerWaalsContact CD1-CG 3.44Å; I130-L276 HydrophobicContact CG1-CD1 4.32Å; I130-I299 WeakPolarHBondContact CA-O 3.37Å; I130-M300 HydrophobicContact CG1-CG 4.48Å; I130-F310 HydrophobicContact CG2-CE1 4.37Å; I130-F310 HydrophobicContact CG2-CZ 4.32Å |
| 131 | D | 94.6 | Very high | 86 | Confident | 39 Ų | 39 | 70.8 Ų | 70.8 | 21% | 0.209 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 111 | 168.5 | -60 | -31.6 | 0 | 0 | 0 | 109.2 | V258 R259 I299 | D131-V258 CarbonylContact C-O 3.33Å; D131-V258 WeakPolarHBondContact CA-O 3.21Å; D131-R259 WeakPolarHBondContact OD1-CB 3.47Å; D131-R259 WeakPolarHBondContact OD1-CD 3.47Å; D131-R259 WeakPolarHBondContact OD1-CG 3.44Å; D131-R259 IonicContact OD1-NE 2.67Å; D131-I299 HydrophobicContact CB-CB 4.24Å; D131-I299 PolarHBondContact N-O 2.99Å; D131-I299 PolarHBondContact O-N 2.86Å |
| 132 | L | 94.4 | Very high | 84.9 | Confident | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 130.9 | 175 | -54.2 | 176.8 | 0 | 0 | 0 | 109.4 | I130 L134 F257 V258 L280 V283 V295 R297 A298 | I130-L132 HydrophobicContact CG2-CD1 4.46Å; I130-L132 HydrophobicContact CG2-CD2 3.43Å; I130-L132 VanDerWaalsContact CG2-CD2 3.43Å; I130-L132 HydrophobicContact CG2-CG 3.68Å; L132-L134 HydrophobicContact CB-CD2 4.23Å; L132-F257 CarbonylContact O-C 3.48Å; L132-F257 VanDerWaalsContact O-CA 3.27Å; L132-F257 WeakPolarHBondContact O-CA 3.24Å; L132-V258 HydrophobicContact CB-CB 4.3Å; L132-V258 PolarHBondContact N-O 3.25Å; L132-V258 PolarHBondContact O-N 2.73Å; L132-L280 HydrophobicContact CD1-CD2 3.67Å; L132-L280 HydrophobicContact CD2-CD2 3.9Å; L132-L280 HydrophobicContact CG-CD2 4.45Å; L132-V283 HydrophobicContact CD1-CG1 4.44Å; L132-V283 HydrophobicContact CD1-CG2 4.25Å; L132-V295 HydrophobicContact CB-CG1 4.43Å; L132-V295 HydrophobicContact CD2-CG1 4.16Å; L132-R297 CarbonylContact C-O 3.51Å; L132-R297 WeakPolarHBondContact CA-O 3.5Å; L132-A298 HydrophobicContact CD2-CB 3.58Å |
| 133 | K | 93.1 | Very high | 83.9 | Confident | 66 Ų | 66 | 75.3 Ų | 75.3 | 29% | 0.287 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 121.9 | 166.3 | -164.5 | 178.4 | 179.8 | -145.7 | 0 | 108.5 | F257 E296 R297 | K133-F257 HydrophobicContact CB-CD1 3.89Å; K133-F257 HydrophobicContact CB-CE1 3.57Å; K133-F257 HydrophobicContact CD-CE1 3.7Å; K133-F257 HydrophobicContact CD-CZ 3.93Å; K133-F257 HydrophobicContact CG-CD1 3.96Å; K133-F257 HydrophobicContact CG-CE1 3.41Å; K133-F257 VanDerWaalsContact CG-CE1 3.41Å; K133-F257 HydrophobicContact CG-CZ 3.97Å; K133-E296 HydrophobicContact CB-CB 4.37Å; K133-E296 VanDerWaalsContact CD-OE2 3.28Å; K133-E296 WeakPolarHBondContact CD-OE2 3.28Å; K133-E296 WeakPolarHBondContact CE-OE2 3.41Å; K133-E296 HydrophobicContact CG-CB 4.44Å; K133-E296 IonicContact NZ-OE2 2.97Å; K133-E296 PolarHBondContact NZ-OE2 3.34Å; K133-E296 PolarHBondContact O-N 3.3Å; K133-R297 HydrophobicContact CB-CB 3.85Å; K133-R297 PolarHBondContact N-O 3.32Å; K133-R297 PolarHBondContact O-N 2.87Å |
| 134 | L | 90.9 | Very high | 83 | Confident | 4 Ų | 4 | 72.9 Ų | 72.9 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 141.8 | -176.5 | -57.1 | -178 | 0 | 0 | 0 | 111.9 | L132 M136 V252 C256 V258 V283 F294 V295 | L132-L134 HydrophobicContact CB-CD2 4.23Å; L134-M136 HydrophobicContact CB-CG 4.25Å; L134-M136 PolarHBondContact O-N 3.2Å; L134-V252 HydrophobicContact CD1-CG2 4.05Å; L134-C256 PolarHBondContact N-O 3.32Å; L134-C256 VanDerWaalsContact O-CB 3.3Å; L134-C256 WeakPolarHBondContact O-CB 3.37Å; L134-V258 HydrophobicContact CD1-CG2 3.56Å; L134-V258 HydrophobicContact CG-CG2 4.25Å; L134-V283 HydrophobicContact CD1-CG1 4.25Å; L134-V283 HydrophobicContact CD2-CG1 3.7Å; L134-F294 WeakPolarHBondContact CA-O 3.49Å; L134-F294 HydrophobicContact CB-CE2 4.01Å; L134-F294 HydrophobicContact CB-CZ 4.05Å; L134-F294 HydrophobicContact CD1-CE1 3.87Å; L134-F294 HydrophobicContact CD1-CZ 3.73Å; L134-F294 HydrophobicContact CD2-CD1 4.14Å; L134-F294 HydrophobicContact CD2-CE1 4Å; L134-F294 HydrophobicContact CD2-CZ 4.3Å; L134-F294 HydrophobicContact CG-CE1 4.38Å; L134-F294 HydrophobicContact CG-CZ 4.25Å; L134-V295 HydrophobicContact CD2-CG2 3.93Å |
| 135 | D | 87.1 | Confident | 82.7 | Confident | 39 Ų | 39 | 75.7 Ų | 75.7 | 21% | 0.209 | 35% | 0.352 | C | S | . | . | trans | -86.2 | 91.8 | 171.8 | -76.5 | -5.4 | 0 | 0 | 0 | 110 | K137 R287 F294 E296 | D135-K137 VanDerWaalsContact C-N 3.29Å; D135-R287 VanDerWaalsContact CB-NH1 3.27Å; D135-R287 PolarHBondContact O-NH1 3.15Å; D135-F294 PolarHBondContact N-O 2.79Å; D135-F294 WeakPolarHBondContact O-CD2 3.46Å; D135-F294 WeakPolarHBondContact O-CE2 3.46Å; D135-E296 VanDerWaalsContact CG-CG 3.47Å; D135-E296 VanDerWaalsContact OD1-CB 3.25Å; D135-E296 WeakPolarHBondContact OD1-CB 3.32Å; D135-E296 WeakPolarHBondContact OD1-CG 3.27Å; D135-E296 WeakPolarHBondContact OD2-CG 3.46Å | ||
| 136 | M | 81.7 | Confident | 82.4 | Confident | 12 Ų | 12 | 74.9 Ų | 74.9 | 6% | 0.059 | 35% | 0.353 | C | S | . | . | trans | -87.9 | 1.8 | 178.5 | -58.7 | -171.4 | 81.4 | 0 | 0 | 113.4 | L134 K143 V144 P146 V252 C256 | L134-M136 HydrophobicContact CB-CG 4.25Å; L134-M136 PolarHBondContact O-N 3.2Å; M136-K143 WeakPolarHBondContact O-CA 3.36Å; M136-V144 HydrophobicContact CB-CB 4.28Å; M136-V144 HydrophobicContact CE-CB 4.05Å; M136-V144 HydrophobicContact CE-CG1 4.13Å; M136-V144 WeakPolarHBondContact CE-O 3.2Å; M136-V144 PolarHBondContact O-N 2.76Å; M136-P146 HydrophobicContact CE-CB 4.39Å; M136-V252 HydrophobicContact CE-CG1 4.13Å; M136-V252 HydrophobicContact SD-CG1 3.59Å; M136-V252 VanDerWaalsContact SD-CG1 3.59Å; M136-C256 HydrophobicContact CG-CB 3.91Å; M136-C256 HydrophobicContact SD-CB 3.79Å | ||
| 137 | K | 78.8 | Confident | 82.2 | Confident | 165 Ų | 165 | 76.3 Ų | 76.3 | 72% | 0.717 | 36% | 0.359 | S | S | * | . | B | Isolated β-bridge | trans | -78.9 | 127.1 | 178 | -62.3 | 176.9 | -173.9 | 167.4 | 0 | 109.4 | D135 | D135-K137 VanDerWaalsContact C-N 3.29Å |
| 138 | L | 72.5 | Confident | 82 | Confident | 55 Ų | 55 | 76.7 Ų | 76.7 | 29% | 0.288 | 36% | 0.361 | S | S | . | . | trans | -99.8 | 154.6 | 168.3 | -53.7 | 170.8 | 0 | 0 | 0 | 109.4 | K140 K142 V144 L291 | L138-K140 CarbonylContact C-O 3.55Å; L138-K140 CarbonylContact O-C 3.6Å; L138-K140 PolarHBondContact O-N 3.5Å; L138-K142 VanDerWaalsContact CB-O 3.23Å; L138-K142 WeakPolarHBondContact CB-O 3.37Å; L138-K142 HydrophobicContact CD1-CB 4.05Å; L138-K142 PolarHBondContact N-O 3.28Å; L138-V144 HydrophobicContact CD1-CG2 4.19Å; L138-V144 HydrophobicContact CD2-CG2 3.76Å; L138-V144 HydrophobicContact CG-CG2 4.01Å; L138-L291 HydrophobicContact CD2-CD1 3.43Å; L138-L291 VanDerWaalsContact CD2-CD1 3.43Å | ||
| 139 | E | 67.6 | Low | 81.7 | Confident | 187 Ų | 187 | 76.7 Ų | 76.7 | 87% | 0.874 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -58.1 | -32 | -178.4 | -63.2 | -177.2 | 161.5 | 0 | 0 | 113 | ||
| 140 | K | 64.1 | Low | 81.5 | Confident | 167 Ų | 167 | 76 Ų | 76 | 73% | 0.726 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -91.2 | 138.5 | 167.5 | -59.5 | 179.4 | -176.7 | 177.7 | 0 | 106.2 | L138 K142 | L138-K140 CarbonylContact C-O 3.55Å; L138-K140 CarbonylContact O-C 3.6Å; L138-K140 PolarHBondContact O-N 3.5Å; K140-K142 WeakPolarHBondContact O-CA 3.49Å; K140-K142 PolarHBondContact O-N 2.85Å; K140-K142 VanDerWaalsContact O-O 3.05Å |
| 141 | K | 62.2 | Low | 81.4 | Confident | 221 Ų | 221 | 76.6 Ų | 76.6 | 96% | 0.961 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -42.2 | -2.5 | -178.4 | -64.6 | -179.1 | 178.2 | 178.7 | 0 | 118.2 | ||
| 142 | K | 67.3 | Low | 81.2 | Confident | 155 Ų | 155 | 79.9 Ų | 79.9 | 67% | 0.674 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 137.5 | 164.2 | -58.9 | -173.3 | 176.9 | -172.6 | 0 | 110.1 | L138 K140 | L138-K142 VanDerWaalsContact CB-O 3.23Å; L138-K142 WeakPolarHBondContact CB-O 3.37Å; L138-K142 HydrophobicContact CD1-CB 4.05Å; L138-K142 PolarHBondContact N-O 3.28Å; K140-K142 WeakPolarHBondContact O-CA 3.49Å; K140-K142 PolarHBondContact O-N 2.85Å; K140-K142 VanDerWaalsContact O-O 3.05Å |
| 143 | K | 70.1 | Confident | 81.1 | Confident | 163 Ų | 163 | 80.3 Ų | 80.3 | 71% | 0.709 | 38% | 0.382 | S | S | * | . | B | Isolated β-bridge | trans | -102.9 | 151.9 | 169.5 | -65.4 | 179.7 | 179.7 | -179.2 | 0 | 108 | M136 D145 | M136-K143 WeakPolarHBondContact O-CA 3.36Å; K143-D145 PolarHBondContact O-N 3.08Å |
| 144 | V | 72.3 | Confident | 81.1 | Confident | 31 Ų | 31 | 80.1 Ų | 80.1 | 19% | 0.188 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 132.6 | 163.8 | -179.2 | 0 | 0 | 0 | 0 | 107.1 | M136 L138 | M136-V144 HydrophobicContact CB-CB 4.28Å; M136-V144 HydrophobicContact CE-CB 4.05Å; M136-V144 HydrophobicContact CE-CG1 4.13Å; M136-V144 WeakPolarHBondContact CE-O 3.2Å; M136-V144 PolarHBondContact O-N 2.76Å; L138-V144 HydrophobicContact CD1-CG2 4.19Å; L138-V144 HydrophobicContact CD2-CG2 3.76Å; L138-V144 HydrophobicContact CG-CG2 4.01Å |
| 145 | D | 79.7 | Confident | 81.2 | Confident | 99 Ų | 99 | 82.8 Ų | 82.8 | 53% | 0.529 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 138.2 | 175.4 | -73.7 | -20 | 0 | 0 | 0 | 109.2 | K143 F147 K229 | K143-D145 PolarHBondContact O-N 3.08Å; D145-F147 PolarHBondContact O-N 3.4Å; D145-K229 IonicContact OD2-NZ 3Å; D145-K229 PolarHBondContact OD2-NZ 3.1Å |
| 146 | P | 84.4 | Confident | 81.2 | Confident | 94 Ų | 94 | 85.9 Ų | 85.9 | 61% | 0.61 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 127.1 | 170.3 | 25.8 | -32.9 | 0 | 0 | 0 | 108.8 | M136 V252 | M136-P146 HydrophobicContact CE-CB 4.39Å; P146-V252 HydrophobicContact CB-CB 4.31Å |
| 147 | F | 86.1 | Confident | 81.6 | Confident | 34 Ų | 34 | 86.8 Ų | 86.8 | 15% | 0.149 | 43% | 0.425 | C | S | . | . | trans | -115.7 | 163.5 | -176.9 | 65.3 | -91.7 | 0 | 0 | 0 | 110.8 | D145 Y250 V252 R286 F294 | D145-F147 PolarHBondContact O-N 3.4Å; F147-Y250 AromaticContact CE2-CE2 3.77Å; F147-Y250 HydrophobicContact CE2-CE2 3.77Å; F147-Y250 HydrophobicContact CZ-CE2 4.4Å; F147-V252 HydrophobicContact CD1-CG2 3.9Å; F147-V252 HydrophobicContact CD2-CG2 4.42Å; F147-V252 HydrophobicContact CE1-CG2 3.71Å; F147-V252 HydrophobicContact CE2-CG2 4.25Å; F147-V252 HydrophobicContact CG-CG2 4.25Å; F147-V252 HydrophobicContact CZ-CG2 3.9Å; F147-V252 PolarHBondContact O-N 3.43Å; F147-R286 HydrophobicContact CD2-CG 4.25Å; F147-R286 HydrophobicContact CE1-CB 3.98Å; F147-R286 HydrophobicContact CE1-CG 4.24Å; F147-R286 HydrophobicContact CE2-CB 4.3Å; F147-R286 HydrophobicContact CE2-CG 3.65Å; F147-R286 HydrophobicContact CZ-CB 3.81Å; F147-R286 HydrophobicContact CZ-CG 3.65Å; F147-F294 HydrophobicContact CE1-CZ 4.24Å | ||
| 148 | V | 89.2 | Confident | 81.6 | Confident | 22 Ų | 22 | 84.3 Ų | 84.3 | 13% | 0.133 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 125.9 | 171.8 | -177 | 0 | 0 | 0 | 0 | 106 | R230 E249 Y250 Q251 | V148-R230 HydrophobicContact CB-CG 4.46Å; V148-E249 HydrophobicContact CG1-CG 3.61Å; V148-E249 WeakPolarHBondContact CG1-OE1 3.48Å; V148-Y250 WeakPolarHBondContact CA-O 3.2Å; V148-Q251 HydrophobicContact CB-CB 4.35Å; V148-Q251 HydrophobicContact CG1-CB 4.15Å; V148-Q251 HydrophobicContact CG2-CB 3.66Å |
| 149 | S | 89.4 | Confident | 81.8 | Confident | 2 Ų | 2 | 88.6 Ų | 88.6 | 1% | 0.014 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 154.5 | -174.9 | -167.5 | 0 | 0 | 0 | 0 | 109.5 | E249 Y250 D282 R286 | S149-E249 WeakPolarHBondContact O-CA 3.34Å; S149-Y250 VanDerWaalsContact CB-CZ 3.47Å; S149-Y250 WeakPolarHBondContact CB-OH 3.44Å; S149-Y250 PolarHBondContact N-O 2.8Å; S149-Y250 PolarHBondContact O-N 3.32Å; S149-D282 WeakPolarHBondContact CB-OD2 3.49Å; S149-D282 PolarHBondContact OG-OD2 3.41Å; S149-R286 PolarHBondContact OG-NH2 3.23Å |
| 150 | T | 91.4 | Very high | 82.5 | Confident | 36 Ų | 36 | 87.6 Ų | 87.6 | 22% | 0.221 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 126 | 173.1 | -53 | 0 | 0 | 0 | 0 | 107.8 | F244 H248 | T150-F244 HydrophobicContact CG2-CD1 3.93Å; T150-F244 HydrophobicContact CG2-CE1 4.06Å; T150-H248 WeakPolarHBondContact CA-O 3.49Å |
| 151 | V | 91.8 | Very high | 83.5 | Confident | 16 Ų | 16 | 85.8 Ų | 85.8 | 10% | 0.097 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 138.9 | -176.1 | 177.4 | 0 | 0 | 0 | 0 | 109.2 | L153 H248 Y250 D282 | V151-L153 PolarHBondContact O-N 3.45Å; V151-H248 PolarHBondContact N-O 3.48Å; V151-H248 WeakPolarHBondContact O-CB 3.29Å; V151-H248 PolarHBondContact O-N 3.32Å; V151-Y250 HydrophobicContact CG2-CD1 4.42Å; V151-Y250 HydrophobicContact CG2-CE1 3.7Å; V151-D282 HydrophobicContact CG1-CB 4.47Å; V151-D282 HydrophobicContact CG2-CB 3.42Å; V151-D282 VanDerWaalsContact CG2-CB 3.42Å; V151-D282 WeakPolarHBondContact CG2-OD2 3.45Å |
| 152 | H | 91.7 | Very high | 84.9 | Confident | 108 Ų | 108 | 76.6 Ų | 76.6 | 50% | 0.5 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 120.2 | 169.3 | -175.8 | 71.7 | 0 | 0 | 0 | 109.3 | T246 | H152-T246 PolarHBondContact CE1-OG1 3.06Å; H152-T246 PolarHBondContact ND1-OG1 3.33Å |
| 153 | L | 91.6 | Very high | 86.2 | Confident | 10 Ų | 10 | 74.9 Ų | 74.9 | 5% | 0.052 | 39% | 0.388 | C | S | . | . | trans | -83 | 132.6 | 175.2 | -65.2 | 177.3 | 0 | 0 | 0 | 109.5 | V151 H155 F157 H248 N275 I279 | V151-L153 PolarHBondContact O-N 3.45Å; L153-H155 PolarHBondContact O-N 3.09Å; L153-F157 HydrophobicContact CD1-CD1 4.09Å; L153-F157 HydrophobicContact CD1-CE1 3.58Å; L153-H248 HydrophobicContact CD1-CB 3.69Å; L153-H248 HydrophobicContact CD2-CB 4.48Å; L153-H248 HydrophobicContact CG-CB 3.76Å; L153-N275 HydrophobicContact CD2-CB 4.35Å; L153-I279 HydrophobicContact CD2-CD1 3.87Å; L153-I279 HydrophobicContact CD2-CG1 3.8Å | ||
| 154 | P | 92.3 | Very high | 87.3 | Confident | 62 Ų | 62 | 67.4 Ų | 67.4 | 40% | 0.403 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -63.4 | -32.1 | 179.7 | 24.4 | -32.4 | 0 | 0 | 0 | 112.2 | A274 N275 A278 | P154-A274 HydrophobicContact CG-CB 4.21Å; P154-N275 VanDerWaalsContact CD-OD1 3.28Å; P154-N275 WeakPolarHBondContact CD-OD1 3.42Å; P154-N275 WeakPolarHBondContact CG-OD1 3.31Å; P154-A278 HydrophobicContact CG-CB 4.46Å |
| 155 | H | 93 | Very high | 88.4 | Confident | 61 Ų | 61 | 65.9 Ų | 65.9 | 28% | 0.282 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -119.2 | 104.7 | 176.2 | -55.7 | -65.4 | 0 | 0 | 0 | 110.3 | L153 M267 Q271 N275 | L153-H155 PolarHBondContact O-N 3.09Å; H155-M267 HydrophobicContact CB-CE 3.67Å; H155-Q271 HydrophobicContact CB-CB 4.1Å; H155-Q271 HydrophobicContact CB-CG 4.4Å; H155-N275 WeakPolarHBondContact CB-OD1 3.23Å; H155-N275 PolarHBondContact N-OD1 3.03Å; H155-N275 PolarHBondContact O-ND2 2.73Å; H155-N275 PolarHBondContact O-OD1 2.92Å |
| 156 | P | 88.9 | Confident | 89.2 | Confident | 103 Ų | 103 | 61.2 Ų | 61.2 | 67% | 0.669 | 32% | 0.322 | S | S | * | . | trans | -69.5 | 137.6 | 177 | 28.7 | -33.4 | 0 | 0 | 0 | 110.2 | ||||
| 157 | F | 88.3 | Confident | 89.7 | Confident | 31 Ų | 31 | 56.7 Ų | 56.7 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | trans | -113.1 | -12 | 175.4 | 63.6 | -97.3 | 0 | 0 | 0 | 113 | L153 H248 Q261 I262 M267 | L153-F157 HydrophobicContact CD1-CD1 4.09Å; L153-F157 HydrophobicContact CD1-CE1 3.58Å; F157-H248 AromaticContact CZ-CE1 3.92Å; F157-H248 AromaticContact CZ-ND1 3.99Å; F157-Q261 HydrophobicContact CE2-CG 3.88Å; F157-Q261 HydrophobicContact CZ-CB 4.22Å; F157-Q261 HydrophobicContact CZ-CG 3.8Å; F157-I262 VanDerWaalsContact CD1-O 3.31Å; F157-I262 WeakPolarHBondContact CD1-O 3.49Å; F157-I262 VanDerWaalsContact CE1-C 3.45Å; F157-I262 WeakPolarHBondContact CE1-O 3.36Å; F157-M267 HydrophobicContact CB-CE 4.49Å; F157-M267 HydrophobicContact CB-SD 3.63Å | ||
| 158 | K | 80.8 | Confident | 90.1 | Very high | 114 Ų | 114 | 55.2 Ų | 55.2 | 50% | 0.496 | 29% | 0.287 | S | S | . | . | trans | -91 | 127.5 | 173.6 | -64 | -173.5 | 180 | -178.3 | 0 | 108.7 | E160 | K158-E160 VanDerWaalsContact C-N 3.32Š| ||
| 159 | T | 75.1 | Confident | 90.2 | Very high | 145 Ų | 145 | 58.8 Ų | 58.8 | 89% | 0.89 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -71.2 | -32 | 174.8 | -44.8 | 0 | 0 | 0 | 0 | 111.5 | ||
| 160 | E | 82.7 | Confident | 90.3 | Very high | 165 Ų | 165 | 62.4 Ų | 62.4 | 77% | 0.771 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -85.9 | 132.1 | 179.6 | -63.3 | -175.7 | -174.3 | 0 | 0 | 111.6 | K158 | K158-E160 VanDerWaalsContact C-N 3.32Š|
| 161 | M | 86.3 | Confident | 90.1 | Very high | 130 Ų | 130 | 65.5 Ų | 65.5 | 64% | 0.64 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -77.8 | 146.2 | 171.4 | -61.1 | -176 | -131.6 | 0 | 0 | 110.2 | K163 K245 | M161-K163 PolarHBondContact O-N 3.04Å; M161-K245 HydrophobicContact CB-CG 4.37Å; M161-K245 HydrophobicContact SD-CD 4.41Å; M161-K245 WeakPolarHBondContact SD-CE 3.42Å; M161-K245 HydrophobicContact SD-CG 4.37Å |
| 162 | N | 91 | Very high | 90 | Very high | 27 Ų | 27 | 67 Ų | 67 | 14% | 0.144 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 136.2 | 179.6 | -56.4 | -39.3 | 0 | 0 | 0 | 110.6 | V164 D202 F203 F244 K245 G247 | N162-V164 PolarHBondContact O-N 2.94Å; N162-D202 HydrophobicContact CB-CB 4.23Å; N162-F203 HydrophobicContact CB-CD2 3.81Å; N162-F203 HydrophobicContact CB-CE2 3.81Å; N162-F203 WeakPolarHBondContact ND2-CE2 3.4Å; N162-F244 WeakPolarHBondContact CB-O 3.39Å; N162-F244 PolarHBondContact ND2-O 2.97Å; N162-K245 PolarHBondContact N-O 2.8Å; N162-G247 PolarHBondContact ND2-O 3.26Å |
| 163 | K | 93.2 | Very high | 89.9 | Confident | 119 Ų | 119 | 64.4 Ų | 64.4 | 52% | 0.517 | 35% | 0.351 | S | S | . | . | trans | -80.3 | 115.4 | 174.3 | -65 | 177.7 | -173.8 | 173.8 | 0 | 109.1 | M161 A183 D202 F203 | M161-K163 PolarHBondContact O-N 3.04Å; K163-A183 HydrophobicContact CB-CB 4.29Å; K163-D202 PolarHBondContact N-OD2 2.86Å; K163-D202 PolarHBondContact O-N 2.83Å; K163-F203 PolarHBondContact O-N 2.93Å | ||
| 164 | V | 94.6 | Very high | 89.8 | Confident | 6 Ų | 6 | 64.8 Ų | 64.8 | 4% | 0.036 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127 | 178.5 | -168.6 | 0 | 0 | 0 | 0 | 110.1 | N162 A183 F203 V205 L241 F244 | N162-V164 PolarHBondContact O-N 2.94Å; V164-A183 PolarHBondContact O-N 2.94Å; V164-F203 WeakPolarHBondContact CA-O 3.44Å; V164-F203 HydrophobicContact CG1-CB 4.21Å; V164-F203 HydrophobicContact CG2-CB 4.3Å; V164-V205 HydrophobicContact CG1-CG2 3.77Å; V164-L241 HydrophobicContact CB-CD2 3.9Å; V164-L241 HydrophobicContact CG1-CD2 3.63Å; V164-F244 HydrophobicContact CG1-CB 4.49Å; V164-F244 HydrophobicContact CG2-CB 3.96Å |
| 165 | L | 95.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 133.3 | 173.4 | -172.8 | 153.4 | 0 | 0 | 0 | 109.8 | F167 F184 L190 I194 I199 A201 F203 Y204 V205 | L165-F167 HydrophobicContact CD2-CD1 4.03Å; L165-F167 HydrophobicContact CD2-CD2 3.84Å; L165-F167 HydrophobicContact CD2-CE1 3.78Å; L165-F167 HydrophobicContact CD2-CE2 3.59Å; L165-F167 HydrophobicContact CD2-CG 4.07Å; L165-F167 HydrophobicContact CD2-CZ 3.56Å; L165-F184 WeakPolarHBondContact CA-O 3.02Å; L165-F184 HydrophobicContact CB-CB 4.34Å; L165-F184 HydrophobicContact CD1-CB 3.74Å; L165-F184 HydrophobicContact CD1-CD2 4.36Å; L165-F184 HydrophobicContact CD1-CG 4.34Å; L165-F184 HydrophobicContact CG-CB 3.78Å; L165-L190 HydrophobicContact CD1-CD1 4.29Å; L165-L190 HydrophobicContact CD2-CD1 4.12Å; L165-L190 HydrophobicContact CG-CD1 4.33Å; L165-I194 HydrophobicContact CD1-CD1 3.9Å; L165-I194 HydrophobicContact CD2-CD1 4.47Å; L165-I199 HydrophobicContact CD1-CG2 3.9Å; L165-A201 HydrophobicContact CB-CB 3.67Å; L165-F203 PolarHBondContact N-O 2.91Å; L165-Y204 HydrophobicContact CB-CD1 4.13Å; L165-Y204 HydrophobicContact CB-CE1 4.38Å; L165-Y204 HydrophobicContact CD1-CD1 4.48Å; L165-Y204 HydrophobicContact CD1-CE1 4.19Å; L165-Y204 HydrophobicContact CD2-CD1 4.08Å; L165-Y204 HydrophobicContact CG-CD1 4.46Å; L165-Y204 WeakPolarHBondContact O-CA 3.09Å; L165-V205 PolarHBondContact O-N 3.34Å |
| 166 | V | 95.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 126.2 | -179.4 | -175.7 | 0 | 0 | 0 | 0 | 110.8 | T168 A177 A182 F184 V185 G186 V205 I237 L241 | V166-T168 HydrophobicContact CG1-CG2 3.67Å; V166-A177 HydrophobicContact CB-CB 4.29Å; V166-A177 HydrophobicContact CG1-CB 4.25Å; V166-A177 HydrophobicContact CG2-CB 4.27Å; V166-A182 HydrophobicContact CG2-CB 3.92Å; V166-F184 PolarHBondContact N-O 2.97Å; V166-V185 HydrophobicContact CB-CG2 4.36Å; V166-V185 WeakPolarHBondContact O-CA 3.04Å; V166-G186 PolarHBondContact O-N 3.08Å; V166-V205 CarbonylContact C-O 3.52Å; V166-V205 WeakPolarHBondContact CA-O 3.27Å; V166-V205 HydrophobicContact CG2-CB 4.39Å; V166-I237 HydrophobicContact CG1-CD1 4.31Å; V166-I237 HydrophobicContact CG1-CG2 3.97Å; V166-I237 HydrophobicContact CG2-CG2 4.15Å; V166-L241 HydrophobicContact CG2-CD2 3.74Å; V166-L241 HydrophobicContact CG2-CG 4.37Å |
| 167 | F | 95.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 111.4 | 171.9 | -68 | -72.9 | 0 | 0 | 0 | 111.2 | L165 G186 L190 I194 Y204 V205 A206 V207 M210 I214 L217 | L165-F167 HydrophobicContact CD2-CD1 4.03Å; L165-F167 HydrophobicContact CD2-CD2 3.84Å; L165-F167 HydrophobicContact CD2-CE1 3.78Å; L165-F167 HydrophobicContact CD2-CE2 3.59Å; L165-F167 HydrophobicContact CD2-CG 4.07Å; L165-F167 HydrophobicContact CD2-CZ 3.56Å; F167-G186 VanDerWaalsContact CA-O 3.29Å; F167-G186 WeakPolarHBondContact CA-O 3.33Å; F167-L190 HydrophobicContact CE1-CB 4.04Å; F167-I194 HydrophobicContact CE1-CD1 3.99Å; F167-I194 HydrophobicContact CZ-CD1 3.51Å; F167-Y204 AromaticContact CE2-CD1 3.78Å; F167-Y204 HydrophobicContact CE2-CD1 3.78Å; F167-Y204 HydrophobicContact CE2-CG 4.48Å; F167-Y204 HydrophobicContact CZ-CD1 4.25Å; F167-V205 PolarHBondContact N-O 3.23Å; F167-A206 HydrophobicContact CB-CB 4Å; F167-A206 HydrophobicContact CD2-CB 4.36Å; F167-V207 PolarHBondContact O-N 3.16Å; F167-V207 VanDerWaalsContact O-N 3.13Å; F167-M210 HydrophobicContact CB-CB 4.24Å; F167-M210 HydrophobicContact CB-CG 4.43Å; F167-I214 HydrophobicContact CB-CG2 4.48Å; F167-I214 HydrophobicContact CD1-CG2 4.01Å; F167-I214 HydrophobicContact CD2-CG2 4.22Å; F167-I214 HydrophobicContact CE1-CG2 4.2Å; F167-I214 HydrophobicContact CE2-CG2 4.39Å; F167-I214 HydrophobicContact CG-CG2 4Å; F167-I214 HydrophobicContact CZ-CG2 4.38Å; F167-L217 HydrophobicContact CE1-CD1 4.35Å; F167-L217 HydrophobicContact CE2-CD1 4.46Å; F167-L217 HydrophobicContact CZ-CD1 3.72Å |
| 168 | T | 94 | Very high | 90 | Very high | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.018 | 35% | 0.352 | C | S | . | . | trans | -146.9 | 135.9 | -180 | 51.4 | 0 | 0 | 0 | 0 | 109.5 | V166 Q173 G186 G187 V207 I237 | V166-T168 HydrophobicContact CG1-CG2 3.67Å; T168-Q173 HydrophobicContact CG2-CB 4Å; T168-G186 PolarHBondContact N-O 3.48Å; T168-G186 CarbonylContact O-C 3.49Å; T168-G187 PolarHBondContact O-N 2.86Å; T168-V207 HydrophobicContact CG2-CG2 3.49Å; T168-V207 VanDerWaalsContact CG2-CG2 3.49Å; T168-I237 HydrophobicContact CG2-CD1 3.55Å | ||
| 169 | E | 90.9 | Very high | 90.5 | Very high | 96 Ų | 96 | 68.5 Ų | 68.5 | 45% | 0.449 | 36% | 0.363 | S | S | . | . | trans | -92.8 | -24.7 | 168.2 | -93.6 | 168.3 | -171.4 | 0 | 0 | 113.1 | S171 M210 K213 | E169-S171 PolarHBondContact O-N 2.88Å; E169-M210 HydrophobicContact CB-SD 3.73Å; E169-M210 HydrophobicContact CG-CE 3.92Å; E169-M210 HydrophobicContact CG-SD 3.32Å; E169-M210 WeakPolarHBondContact CG-SD 3.06Å; E169-K213 WeakPolarHBondContact OE1-CD 3.38Å; E169-K213 WeakPolarHBondContact OE1-CE 3.21Å; E169-K213 IonicContact OE1-NZ 2.61Å; E169-K213 PolarHBondContact OE1-NZ 2.67Å; E169-K213 IonicContact OE2-NZ 2.62Å; E169-K213 PolarHBondContact OE2-NZ 3.21Å | ||
| 170 | D | 91.7 | Very high | 91.1 | Very high | 79 Ų | 79 | 64.1 Ų | 64.1 | 42% | 0.422 | 33% | 0.334 | S | S | . | . | trans | -69.6 | 119.5 | 178.4 | -62.9 | -32.5 | 0 | 0 | 0 | 110.9 | G172 Q173 A174 | D170-G172 VanDerWaalsContact C-N 3.29Å; D170-G172 PolarHBondContact O-N 3.11Å; D170-Q173 HydrophobicContact CB-CB 4.03Å; D170-Q173 HydrophobicContact CB-CG 3.93Å; D170-Q173 PolarHBondContact O-N 3Å; D170-Q173 PolarHBondContact OD2-NE2 2.89Å; D170-Q173 VanDerWaalsContact OD2-NE2 3.08Å; D170-A174 WeakPolarHBondContact O-CB 3.35Å; D170-A174 PolarHBondContact O-N 2.77Å | ||
| 171 | S | 88.1 | Confident | 91.3 | Very high | 100 Ų | 100 | 58.3 Ų | 58.3 | 70% | 0.699 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.2 | -38.5 | -179 | 57.5 | 0 | 0 | 0 | 0 | 112.8 | E169 A174 T175 | E169-S171 PolarHBondContact O-N 2.88Å; S171-A174 WeakPolarHBondContact O-CB 3.49Å; S171-A174 PolarHBondContact O-N 3.26Å; S171-T175 PolarHBondContact O-N 2.82Å; S171-T175 PolarHBondContact O-OG1 2.92Å |
| 172 | G | 89.2 | Confident | 91.6 | Very high | 47 Ų | 47 | 52.8 Ų | 52.8 | 49% | 0.485 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.8 | -35.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D170 A174 T175 F176 | D170-G172 VanDerWaalsContact C-N 3.29Å; D170-G172 PolarHBondContact O-N 3.11Å; G172-A174 VanDerWaalsContact C-N 3.34Å; G172-T175 PolarHBondContact O-OG1 3.11Å; G172-F176 WeakPolarHBondContact O-CB 3.35Å; G172-F176 PolarHBondContact O-N 3.43Å |
| 173 | Q | 89.2 | Confident | 91.7 | Very high | 54 Ų | 54 | 53.9 Ų | 53.9 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -72.3 | -33.9 | 173.2 | -66.9 | -176.3 | 14.8 | 0 | 0 | 111.1 | T168 D170 F176 A177 I237 | T168-Q173 HydrophobicContact CG2-CB 4Å; D170-Q173 HydrophobicContact CB-CB 4.03Å; D170-Q173 HydrophobicContact CB-CG 3.93Å; D170-Q173 PolarHBondContact O-N 3Å; D170-Q173 PolarHBondContact OD2-NE2 2.89Å; D170-Q173 VanDerWaalsContact OD2-NE2 3.08Å; Q173-F176 PolarHBondContact O-N 3.44Å; Q173-A177 WeakPolarHBondContact O-CB 3.28Å; Q173-A177 PolarHBondContact O-N 3.45Å; Q173-I237 HydrophobicContact CB-CD1 3.78Å; Q173-I237 HydrophobicContact CG-CD1 4.29Å |
| 174 | A | 90.1 | Very high | 91.7 | Very high | 18 Ų | 18 | 52.1 Ų | 52.1 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D170 S171 G172 A177 K178 V185 | D170-A174 WeakPolarHBondContact O-CB 3.35Å; D170-A174 PolarHBondContact O-N 2.77Å; S171-A174 WeakPolarHBondContact O-CB 3.49Å; S171-A174 PolarHBondContact O-N 3.26Å; G172-A174 VanDerWaalsContact C-N 3.34Å; A174-A177 PolarHBondContact O-N 3.45Å; A174-K178 WeakPolarHBondContact O-CG 3.37Å; A174-K178 PolarHBondContact O-N 3.45Å; A174-K178 VanDerWaalsContact O-N 3.13Å; A174-V185 HydrophobicContact CB-CG1 3.71Å |
| 175 | T | 91.1 | Very high | 91.7 | Very high | 76 Ų | 76 | 52.8 Ų | 52.8 | 47% | 0.466 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 174.2 | 50.9 | 0 | 0 | 0 | 0 | 111 | S171 G172 A177 K178 E179 | S171-T175 PolarHBondContact O-N 2.82Å; S171-T175 PolarHBondContact O-OG1 2.92Å; G172-T175 PolarHBondContact O-OG1 3.11Å; T175-A177 VanDerWaalsContact C-N 3.34Å; T175-A177 PolarHBondContact O-N 3.49Å; T175-K178 WeakPolarHBondContact O-CB 3.42Å; T175-K178 PolarHBondContact O-N 3.47Å; T175-K178 VanDerWaalsContact O-N 3.16Å; T175-E179 WeakPolarHBondContact O-CG 3Å; T175-E179 PolarHBondContact O-N 3.02Å |
| 176 | F | 91.8 | Very high | 91.5 | Very high | 89 Ų | 89 | 53.4 Ų | 53.4 | 39% | 0.39 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 177.5 | -171.7 | -109 | 0 | 0 | 0 | 112.4 | G172 Q173 K178 E179 N180 | G172-F176 WeakPolarHBondContact O-CB 3.35Å; G172-F176 PolarHBondContact O-N 3.43Å; Q173-F176 PolarHBondContact O-N 3.44Å; F176-K178 VanDerWaalsContact C-N 3.34Å; F176-K178 PolarHBondContact O-N 3.48Å; F176-E179 PolarHBondContact O-N 3.29Å; F176-N180 WeakPolarHBondContact CE1-ND2 3.45Å; F176-N180 WeakPolarHBondContact CZ-ND2 3.48Å; F176-N180 PolarHBondContact O-N 3.38Å; F176-N180 VanDerWaalsContact O-N 3.08Å; F176-N180 PolarHBondContact O-ND2 3.34Å |
| 177 | A | 91.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V166 Q173 A174 T175 N180 G181 A182 V185 I237 L241 | V166-A177 HydrophobicContact CB-CB 4.29Å; V166-A177 HydrophobicContact CG1-CB 4.25Å; V166-A177 HydrophobicContact CG2-CB 4.27Å; Q173-A177 WeakPolarHBondContact O-CB 3.28Å; Q173-A177 PolarHBondContact O-N 3.45Å; A174-A177 PolarHBondContact O-N 3.45Å; T175-A177 VanDerWaalsContact C-N 3.34Å; T175-A177 PolarHBondContact O-N 3.49Å; A177-N180 PolarHBondContact O-N 3.34Å; A177-G181 PolarHBondContact O-N 3.32Å; A177-A182 HydrophobicContact CB-CB 4.36Å; A177-A182 WeakPolarHBondContact O-CB 3.2Å; A177-A182 PolarHBondContact O-N 3.33Å; A177-A182 VanDerWaalsContact O-N 3.09Å; A177-V185 HydrophobicContact CB-CG1 4.05Å; A177-V185 HydrophobicContact CB-CG2 3.78Å; A177-I237 HydrophobicContact CB-CG2 3.92Å; A177-L241 HydrophobicContact CB-CD1 4.43Å |
| 178 | K | 91.6 | Very high | 91.1 | Very high | 132 Ų | 132 | 56.2 Ų | 56.2 | 57% | 0.574 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.5 | -44.1 | 176 | -71.5 | 177.3 | -178.5 | -178.6 | 0 | 111.7 | A174 T175 F176 N180 G181 V185 | A174-K178 WeakPolarHBondContact O-CG 3.37Å; A174-K178 PolarHBondContact O-N 3.45Å; A174-K178 VanDerWaalsContact O-N 3.13Å; T175-K178 WeakPolarHBondContact O-CB 3.42Å; T175-K178 PolarHBondContact O-N 3.47Å; T175-K178 VanDerWaalsContact O-N 3.16Å; F176-K178 VanDerWaalsContact C-N 3.34Å; F176-K178 PolarHBondContact O-N 3.48Å; K178-N180 VanDerWaalsContact C-N 3.27Å; K178-N180 PolarHBondContact O-N 2.95Å; K178-G181 PolarHBondContact O-N 3.28Å; K178-V185 HydrophobicContact CG-CB 3.99Å; K178-V185 HydrophobicContact CG-CG2 3.69Å |
| 179 | E | 90.9 | Very high | 91 | Very high | 153 Ų | 153 | 64.1 Ų | 64.1 | 72% | 0.715 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.5 | -35.1 | 176.7 | -71.3 | 170.4 | -172.7 | 0 | 0 | 112.5 | T175 F176 G181 | T175-E179 WeakPolarHBondContact O-CG 3Å; T175-E179 PolarHBondContact O-N 3.02Å; F176-E179 PolarHBondContact O-N 3.29Å; E179-G181 PolarHBondContact O-N 2.58Å |
| 180 | N | 89.4 | Confident | 91.1 | Very high | 52 Ų | 52 | 60.8 Ų | 60.8 | 28% | 0.278 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 6.2 | 176.4 | -75.3 | -86.2 | 0 | 0 | 0 | 113.6 | F176 A177 K178 L241 | F176-N180 WeakPolarHBondContact CE1-ND2 3.45Å; F176-N180 WeakPolarHBondContact CZ-ND2 3.48Å; F176-N180 PolarHBondContact O-N 3.38Å; F176-N180 VanDerWaalsContact O-N 3.08Å; F176-N180 PolarHBondContact O-ND2 3.34Å; A177-N180 PolarHBondContact O-N 3.34Å; K178-N180 VanDerWaalsContact C-N 3.27Å; K178-N180 PolarHBondContact O-N 2.95Å; N180-L241 HydrophobicContact CB-CD1 3.61Å |
| 181 | G | 86.1 | Confident | 91.2 | Very high | 43 Ų | 43 | 58 Ų | 58 | 44% | 0.443 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 31 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A177 K178 E179 | A177-G181 PolarHBondContact O-N 3.32Å; K178-G181 PolarHBondContact O-N 3.28Å; E179-G181 PolarHBondContact O-N 2.58Å |
| 182 | A | 91.8 | Very high | 91.4 | Very high | 14 Ų | 14 | 60 Ų | 60 | 12% | 0.116 | 34% | 0.338 | C | S | . | . | trans | -64.1 | 136.7 | 164 | 0 | 0 | 0 | 0 | 0 | 110.2 | V166 A177 V185 L241 | V166-A182 HydrophobicContact CG2-CB 3.92Å; A177-A182 HydrophobicContact CB-CB 4.36Å; A177-A182 WeakPolarHBondContact O-CB 3.2Å; A177-A182 PolarHBondContact O-N 3.33Å; A177-A182 VanDerWaalsContact O-N 3.09Å; A182-V185 HydrophobicContact CB-CG2 3.5Å; A182-L241 HydrophobicContact CB-CD1 4.18Å; A182-L241 HydrophobicContact CB-CD2 3.98Å | ||
| 183 | A | 92.8 | Very high | 91.7 | Very high | 51 Ų | 51 | 59 Ų | 59 | 42% | 0.421 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -71 | -40.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K163 V164 | K163-A183 HydrophobicContact CB-CB 4.29Å; V164-A183 PolarHBondContact O-N 2.94Å |
| 184 | F | 93.4 | Very high | 92 | Very high | 81 Ų | 81 | 56.5 Ų | 56.5 | 36% | 0.355 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 139.8 | 178.5 | -58.1 | -76.6 | 0 | 0 | 0 | 109.3 | L165 V166 I199 | L165-F184 WeakPolarHBondContact CA-O 3.02Å; L165-F184 HydrophobicContact CB-CB 4.34Å; L165-F184 HydrophobicContact CD1-CB 3.74Å; L165-F184 HydrophobicContact CD1-CD2 4.36Å; L165-F184 HydrophobicContact CD1-CG 4.34Å; L165-F184 HydrophobicContact CG-CB 3.78Å; V166-F184 PolarHBondContact N-O 2.97Å; F184-I199 HydrophobicContact CD1-CG2 4.26Å; F184-I199 HydrophobicContact CD2-CG2 3.8Å; F184-I199 HydrophobicContact CE1-CG2 4.34Å; F184-I199 HydrophobicContact CE2-CG2 3.9Å; F184-I199 HydrophobicContact CG-CG2 3.99Å; F184-I199 HydrophobicContact CZ-CG2 4.17Å |
| 185 | V | 94.8 | Very high | 92.1 | Very high | 21 Ų | 21 | 59.1 Ų | 59.1 | 13% | 0.127 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 129.7 | 179.6 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | V166 A174 A177 K178 A182 | V166-V185 HydrophobicContact CB-CG2 4.36Å; V166-V185 WeakPolarHBondContact O-CA 3.04Å; A174-V185 HydrophobicContact CB-CG1 3.71Å; A177-V185 HydrophobicContact CB-CG1 4.05Å; A177-V185 HydrophobicContact CB-CG2 3.78Å; K178-V185 HydrophobicContact CG-CB 3.99Å; K178-V185 HydrophobicContact CG-CG2 3.69Å; A182-V185 HydrophobicContact CB-CG2 3.5Å |
| 186 | G | 92.4 | Very high | 92.3 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 13% | 0.134 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.2 | 176.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V166 F167 T168 | V166-G186 PolarHBondContact O-N 3.08Å; F167-G186 VanDerWaalsContact CA-O 3.29Å; F167-G186 WeakPolarHBondContact CA-O 3.33Å; T168-G186 PolarHBondContact N-O 3.48Å; T168-G186 CarbonylContact O-C 3.49Å |
| 187 | G | 91.5 | Very high | 92.3 | Very high | 11 Ų | 11 | 62.2 Ų | 62.2 | 11% | 0.113 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -97.4 | -132.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T168 E189 | T168-G187 PolarHBondContact O-N 2.86Å; G187-E189 PolarHBondContact O-N 2.87Å |
| 188 | A | 90.8 | Very high | 92.3 | Very high | 47 Ų | 47 | 69.3 Ų | 69.3 | 39% | 0.388 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -65.7 | -21.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L190 I191 | A188-L190 PolarHBondContact O-N 3.21Å; A188-I191 HydrophobicContact CB-CD1 4.08Å; A188-I191 VanDerWaalsContact O-CB 3.29Å; A188-I191 WeakPolarHBondContact O-CB 3.45Å; A188-I191 VanDerWaalsContact O-CG1 3.3Å; A188-I191 WeakPolarHBondContact O-CG1 3.35Å; A188-I191 PolarHBondContact O-N 2.86Å; A188-I191 VanDerWaalsContact O-N 3.1Å |
| 189 | E | 92.5 | Very high | 92.4 | Very high | 170 Ų | 170 | 64.4 Ų | 64.4 | 79% | 0.794 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -60.2 | -32.3 | -180 | -62.3 | 173.5 | -177.1 | 0 | 0 | 112.7 | G187 I191 P193 | G187-E189 PolarHBondContact O-N 2.87Å; E189-I191 PolarHBondContact O-N 2.84Å; E189-P193 WeakPolarHBondContact O-CD 3.37Å |
| 190 | L | 92.6 | Very high | 92.4 | Very high | 25 Ų | 25 | 61.1 Ų | 61.1 | 13% | 0.131 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -76.3 | -9 | 179.8 | -64.9 | -178.4 | 0 | 0 | 0 | 113.4 | L165 F167 A188 I194 I199 | L165-L190 HydrophobicContact CD1-CD1 4.29Å; L165-L190 HydrophobicContact CD2-CD1 4.12Å; L165-L190 HydrophobicContact CG-CD1 4.33Å; F167-L190 HydrophobicContact CE1-CB 4.04Å; A188-L190 PolarHBondContact O-N 3.21Å; L190-I194 HydrophobicContact CB-CD1 4.23Å; L190-I194 WeakPolarHBondContact O-CB 3.24Å; L190-I194 WeakPolarHBondContact O-CD1 3.01Å; L190-I194 WeakPolarHBondContact O-CG1 3.29Å; L190-I194 PolarHBondContact O-N 2.93Å; L190-I199 HydrophobicContact CD2-CD1 3.87Å |
| 191 | I | 92.9 | Very high | 92.6 | Very high | 20 Ų | 20 | 58.8 Ų | 58.8 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.6 | -45.9 | -177 | -63.7 | 171.1 | 0 | 0 | 0 | 110.9 | A188 E189 I194 L195 K213 L217 | A188-I191 HydrophobicContact CB-CD1 4.08Å; A188-I191 VanDerWaalsContact O-CB 3.29Å; A188-I191 WeakPolarHBondContact O-CB 3.45Å; A188-I191 VanDerWaalsContact O-CG1 3.3Å; A188-I191 WeakPolarHBondContact O-CG1 3.35Å; A188-I191 PolarHBondContact O-N 2.86Å; A188-I191 VanDerWaalsContact O-N 3.1Å; E189-I191 PolarHBondContact O-N 2.84Å; I191-I194 PolarHBondContact O-N 2.87Å; I191-L195 HydrophobicContact CG2-CD1 4.02Å; I191-L195 HydrophobicContact CG2-CG 4.48Å; I191-L195 VanDerWaalsContact O-CG 3.3Å; I191-L195 WeakPolarHBondContact O-CG 3.41Å; I191-L195 PolarHBondContact O-N 3.03Å; I191-K213 VanDerWaalsContact CD1-O 3.28Å; I191-K213 WeakPolarHBondContact CD1-O 3.45Å; I191-L217 HydrophobicContact CG1-CD1 4.25Å; I191-L217 HydrophobicContact CG2-CD2 3.97Å; I191-L217 HydrophobicContact CG2-CG 4.07Å |
| 192 | Q | 94 | Very high | 92.9 | Very high | 143 Ų | 143 | 59.9 Ų | 59.9 | 67% | 0.668 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -66 | -51.6 | -179.3 | -72.5 | -173.7 | -12.7 | 0 | 0 | 112.5 | I194 L195 D196 | Q192-I194 PolarHBondContact O-N 3.36Å; Q192-I194 VanDerWaalsContact O-N 3.15Å; Q192-L195 CarbonylContact O-C 3.5Å; Q192-L195 WeakPolarHBondContact O-CA 3.4Å; Q192-L195 WeakPolarHBondContact O-CB 3.08Å; Q192-L195 PolarHBondContact O-N 2.81Å; Q192-D196 PolarHBondContact O-N 2.55Å |
| 193 | P | 94.6 | Very high | 92.9 | Very high | 26 Ų | 26 | 60 Ų | 60 | 17% | 0.169 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.4 | -33.9 | 176.8 | -26.2 | 34.3 | 0 | 0 | 0 | 113.8 | E189 D196 D197 E198 I199 | E189-P193 WeakPolarHBondContact O-CD 3.37Å; P193-D196 PolarHBondContact O-N 2.78Å; P193-D197 PolarHBondContact O-N 3.28Å; P193-E198 HydrophobicContact CB-CB 4.25Å; P193-E198 PolarHBondContact O-N 3.37Å; P193-I199 HydrophobicContact CB-CB 4.5Å; P193-I199 HydrophobicContact CB-CD1 3.67Å; P193-I199 HydrophobicContact CB-CG1 3.86Å; P193-I199 HydrophobicContact CG-CD1 4.36Å; P193-I199 PolarHBondContact O-N 3.04Å |
| 194 | I | 94.6 | Very high | 93 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.4 | -36.7 | 174.6 | -66.2 | 166.6 | 0 | 0 | 0 | 110.7 | L165 F167 L190 I191 Q192 D196 D197 I199 Y204 L217 K220 L221 | L165-I194 HydrophobicContact CD1-CD1 3.9Å; L165-I194 HydrophobicContact CD2-CD1 4.47Å; F167-I194 HydrophobicContact CE1-CD1 3.99Å; F167-I194 HydrophobicContact CZ-CD1 3.51Å; L190-I194 HydrophobicContact CB-CD1 4.23Å; L190-I194 WeakPolarHBondContact O-CB 3.24Å; L190-I194 WeakPolarHBondContact O-CD1 3.01Å; L190-I194 WeakPolarHBondContact O-CG1 3.29Å; L190-I194 PolarHBondContact O-N 2.93Å; I191-I194 PolarHBondContact O-N 2.87Å; Q192-I194 PolarHBondContact O-N 3.36Å; Q192-I194 VanDerWaalsContact O-N 3.15Å; I194-D196 VanDerWaalsContact C-N 3.29Å; I194-D197 PolarHBondContact O-N 2.89Å; I194-I199 HydrophobicContact CG1-CB 4.25Å; I194-Y204 HydrophobicContact CD1-CE1 4.07Å; I194-L217 HydrophobicContact CB-CD2 4.18Å; I194-L217 HydrophobicContact CD1-CD1 4.25Å; I194-L217 HydrophobicContact CG2-CD1 4.36Å; I194-L217 HydrophobicContact CG2-CD2 3.86Å; I194-K220 VanDerWaalsContact O-CD 3.3Å; I194-K220 WeakPolarHBondContact O-CD 3.4Å; I194-K220 WeakPolarHBondContact O-CE 3.45Å; I194-K220 PolarHBondContact O-NZ 2.85Å; I194-L221 HydrophobicContact CG2-CD2 4.26Å |
| 195 | L | 93.2 | Very high | 93.1 | Very high | 73 Ų | 73 | 54.4 Ų | 54.4 | 38% | 0.382 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.4 | -27.6 | 174 | -74.3 | 174.4 | 0 | 0 | 0 | 113.2 | I191 Q192 L217 K220 | I191-L195 HydrophobicContact CG2-CD1 4.02Å; I191-L195 HydrophobicContact CG2-CG 4.48Å; I191-L195 VanDerWaalsContact O-CG 3.3Å; I191-L195 WeakPolarHBondContact O-CG 3.41Å; I191-L195 PolarHBondContact O-N 3.03Å; Q192-L195 CarbonylContact O-C 3.5Å; Q192-L195 WeakPolarHBondContact O-CA 3.4Å; Q192-L195 WeakPolarHBondContact O-CB 3.08Å; Q192-L195 PolarHBondContact O-N 2.81Å; L195-L217 HydrophobicContact CD1-CD2 4.49Å; L195-L217 HydrophobicContact CD2-CD2 3.73Å; L195-L217 HydrophobicContact CG-CD2 3.68Å; L195-K220 HydrophobicContact CD2-CB 4.48Å; L195-K220 HydrophobicContact CD2-CD 4.11Å; L195-K220 PolarHBondContact O-NZ 3.47Å |
| 196 | D | 94.2 | Very high | 93.1 | Very high | 109 Ų | 109 | 53.4 Ų | 53.4 | 58% | 0.583 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 1 | 178.2 | -61.3 | -31.4 | 0 | 0 | 0 | 113.3 | Q192 P193 I194 E198 | Q192-D196 PolarHBondContact O-N 2.55Å; P193-D196 PolarHBondContact O-N 2.78Å; I194-D196 VanDerWaalsContact C-N 3.29Å; D196-E198 HydrophobicContact CB-CG 4.25Å; D196-E198 PolarHBondContact O-N 2.66Å |
| 197 | D | 91.9 | Very high | 93.2 | Very high | 121 Ų | 121 | 53 Ų | 53 | 65% | 0.647 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 16.6 | -178.5 | -69.7 | -53.9 | 0 | 0 | 0 | 114.7 | P193 I194 K220 | P193-D197 PolarHBondContact O-N 3.28Å; I194-D197 PolarHBondContact O-N 2.89Å; D197-K220 WeakPolarHBondContact OD1-CE 3.49Å; D197-K220 IonicContact OD1-NZ 2.73Å; D197-K220 PolarHBondContact OD1-NZ 2.92Å; D197-K220 IonicContact OD2-NZ 2.82Å; D197-K220 PolarHBondContact OD2-NZ 3.26Å |
| 198 | E | 93.1 | Very high | 93.2 | Very high | 149 Ų | 149 | 55 Ų | 55 | 70% | 0.696 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -69.7 | -37.2 | 173.9 | -62.3 | -174.4 | 162.4 | 0 | 0 | 111.8 | P193 D196 | P193-E198 HydrophobicContact CB-CB 4.25Å; P193-E198 PolarHBondContact O-N 3.37Å; D196-E198 HydrophobicContact CB-CG 4.25Å; D196-E198 PolarHBondContact O-N 2.66Å |
| 199 | I | 93.1 | Very high | 93.3 | Very high | 29 Ų | 29 | 58.2 Ų | 58.2 | 15% | 0.149 | 31% | 0.305 | C | S | . | . | trans | -117 | 122.3 | -178.6 | -55.8 | 179.4 | 0 | 0 | 0 | 109.6 | L165 F184 L190 P193 I194 | L165-I199 HydrophobicContact CD1-CG2 3.9Å; F184-I199 HydrophobicContact CD1-CG2 4.26Å; F184-I199 HydrophobicContact CD2-CG2 3.8Å; F184-I199 HydrophobicContact CE1-CG2 4.34Å; F184-I199 HydrophobicContact CE2-CG2 3.9Å; F184-I199 HydrophobicContact CG-CG2 3.99Å; F184-I199 HydrophobicContact CZ-CG2 4.17Å; L190-I199 HydrophobicContact CD2-CD1 3.87Å; P193-I199 HydrophobicContact CB-CB 4.5Å; P193-I199 HydrophobicContact CB-CD1 3.67Å; P193-I199 HydrophobicContact CB-CG1 3.86Å; P193-I199 HydrophobicContact CG-CD1 4.36Å; P193-I199 PolarHBondContact O-N 3.04Å; I194-I199 HydrophobicContact CG1-CB 4.25Å | ||
| 200 | S | 91.4 | Very high | 93.3 | Very high | 84 Ų | 84 | 50.2 Ų | 50.2 | 59% | 0.587 | 27% | 0.268 | S | S | * | . | trans | -126.8 | 129 | 175.6 | 70.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 201 | A | 92.9 | Very high | 93.2 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | trans | -122.9 | 161.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L165 Y204 K224 | L165-A201 HydrophobicContact CB-CB 3.67Å; A201-Y204 HydrophobicContact CB-CE1 4.08Å; A201-Y204 HydrophobicContact CB-CE2 4.32Å; A201-Y204 PolarHBondContact N-OH 2.92Å; A201-Y204 VanDerWaalsContact N-OH 3.14Å; A201-Y204 WeakPolarHBondContact O-CE2 3.23Å; A201-Y204 PolarHBondContact O-OH 3.42Å; A201-K224 PolarHBondContact O-NZ 3.42Å | ||
| 202 | D | 91.9 | Very high | 93.2 | Very high | 65 Ų | 65 | 55.7 Ų | 55.7 | 35% | 0.348 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -79.6 | -49.8 | 176 | -61.9 | -45.7 | 0 | 0 | 0 | 110.3 | N162 K163 | N162-D202 HydrophobicContact CB-CB 4.23Å; K163-D202 PolarHBondContact N-OD2 2.86Å; K163-D202 PolarHBondContact O-N 2.83Å |
| 203 | F | 93.1 | Very high | 93.1 | Very high | 18 Ų | 18 | 53.1 Ų | 53.1 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 138.9 | 178.9 | -65.2 | -84.8 | 0 | 0 | 0 | 111.3 | N162 K163 V164 L165 F244 E249 | N162-F203 HydrophobicContact CB-CD2 3.81Å; N162-F203 HydrophobicContact CB-CE2 3.81Å; N162-F203 WeakPolarHBondContact ND2-CE2 3.4Å; K163-F203 PolarHBondContact O-N 2.93Å; V164-F203 WeakPolarHBondContact CA-O 3.44Å; V164-F203 HydrophobicContact CG1-CB 4.21Å; V164-F203 HydrophobicContact CG2-CB 4.3Å; L165-F203 PolarHBondContact N-O 2.91Å; F203-F244 HydrophobicContact CB-CB 4.13Å; F203-F244 HydrophobicContact CB-CG 4.42Å; F203-F244 HydrophobicContact CD1-CB 4.41Å; F203-F244 AromaticContact CD1-CD1 3.57Å; F203-F244 HydrophobicContact CD1-CD1 3.57Å; F203-F244 HydrophobicContact CD1-CE1 4.23Å; F203-F244 HydrophobicContact CD1-CG 4.24Å; F203-F244 HydrophobicContact CD2-CB 4.29Å; F203-F244 AromaticContact CE1-CD1 3.9Å; F203-F244 HydrophobicContact CE1-CD1 3.9Å; F203-F244 HydrophobicContact CE1-CE1 4.48Å; F203-F244 HydrophobicContact CG-CB 4.01Å; F203-F244 HydrophobicContact CG-CD1 4.05Å; F203-F244 HydrophobicContact CG-CG 4.28Å; F203-E249 HydrophobicContact CE1-CB 3.94Å; F203-E249 HydrophobicContact CE1-CG 4.37Å; F203-E249 HydrophobicContact CZ-CB 3.85Å |
| 204 | Y | 94.4 | Very high | 93 | Very high | 12 Ų | 12 | 51.9 Ų | 51.9 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.7 | 174.5 | -61.4 | -94.7 | 0 | 0 | 0 | 108.2 | L165 F167 I194 A201 L221 K224 | L165-Y204 HydrophobicContact CB-CD1 4.13Å; L165-Y204 HydrophobicContact CB-CE1 4.38Å; L165-Y204 HydrophobicContact CD1-CD1 4.48Å; L165-Y204 HydrophobicContact CD1-CE1 4.19Å; L165-Y204 HydrophobicContact CD2-CD1 4.08Å; L165-Y204 HydrophobicContact CG-CD1 4.46Å; L165-Y204 WeakPolarHBondContact O-CA 3.09Å; F167-Y204 AromaticContact CE2-CD1 3.78Å; F167-Y204 HydrophobicContact CE2-CD1 3.78Å; F167-Y204 HydrophobicContact CE2-CG 4.48Å; F167-Y204 HydrophobicContact CZ-CD1 4.25Å; I194-Y204 HydrophobicContact CD1-CE1 4.07Å; A201-Y204 HydrophobicContact CB-CE1 4.08Å; A201-Y204 HydrophobicContact CB-CE2 4.32Å; A201-Y204 PolarHBondContact N-OH 2.92Å; A201-Y204 VanDerWaalsContact N-OH 3.14Å; A201-Y204 WeakPolarHBondContact O-CE2 3.23Å; A201-Y204 PolarHBondContact O-OH 3.42Å; Y204-L221 HydrophobicContact CD1-CD1 4.09Å; Y204-L221 HydrophobicContact CD2-CD1 4.23Å; Y204-L221 HydrophobicContact CD2-CD2 4.15Å; Y204-L221 HydrophobicContact CE1-CD1 4.26Å; Y204-L221 HydrophobicContact CE1-CD2 4.04Å; Y204-L221 HydrophobicContact CE2-CD1 4.41Å; Y204-L221 HydrophobicContact CE2-CD2 3.56Å; Y204-L221 HydrophobicContact CG-CD1 4.07Å; Y204-L221 VanDerWaalsContact CZ-CD2 3.49Å; Y204-K224 HydrophobicContact CD2-CB 3.89Å; Y204-K224 HydrophobicContact CE2-CB 4.03Å; Y204-K224 HydrophobicContact CE2-CD 3.98Å |
| 205 | V | 94.8 | Very high | 93 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 138.9 | 176.3 | 178.5 | 0 | 0 | 0 | 0 | 108 | V164 L165 V166 F167 T232 A240 F244 | V164-V205 HydrophobicContact CG1-CG2 3.77Å; L165-V205 PolarHBondContact O-N 3.34Å; V166-V205 CarbonylContact C-O 3.52Å; V166-V205 WeakPolarHBondContact CA-O 3.27Å; V166-V205 HydrophobicContact CG2-CB 4.39Å; F167-V205 PolarHBondContact N-O 3.23Å; V205-T232 WeakPolarHBondContact CA-O 3.44Å; V205-A240 HydrophobicContact CG1-CB 4.17Å; V205-F244 HydrophobicContact CG2-CD2 3.74Å; V205-F244 HydrophobicContact CG2-CE2 4.15Å |
| 206 | A | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 145.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F167 L211 I214 P226 T232 V233 T234 | F167-A206 HydrophobicContact CB-CB 4Å; F167-A206 HydrophobicContact CD2-CB 4.36Å; A206-L211 HydrophobicContact CB-CD2 4.25Å; A206-I214 HydrophobicContact CB-CD1 4.02Å; A206-P226 HydrophobicContact CB-CB 4.02Å; A206-P226 HydrophobicContact CB-CG 4.03Å; A206-T232 PolarHBondContact N-O 2.95Å; A206-V233 VanDerWaalsContact O-CA 3.27Å; A206-V233 WeakPolarHBondContact O-CA 3.3Å; A206-T234 PolarHBondContact O-N 3.17Å |
| 207 | V | 94.2 | Very high | 92.9 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.024 | 28% | 0.281 | C | S | . | . | trans | -73.3 | 144.6 | 165.2 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | F167 T168 D209 M210 I237 | F167-V207 PolarHBondContact O-N 3.16Å; F167-V207 VanDerWaalsContact O-N 3.13Å; T168-V207 HydrophobicContact CG2-CG2 3.49Å; T168-V207 VanDerWaalsContact CG2-CG2 3.49Å; V207-D209 HydrophobicContact CG1-CB 4.4Å; V207-D209 PolarHBondContact O-N 2.94Å; V207-D209 VanDerWaalsContact O-N 3.12Å; V207-M210 WeakPolarHBondContact O-CB 3.37Å; V207-M210 PolarHBondContact O-N 2.86Å; V207-I237 HydrophobicContact CG2-CD1 4.34Å | ||
| 208 | P | 92.6 | Very high | 92.9 | Very high | 54 Ų | 54 | 51 Ų | 51 | 35% | 0.351 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -49.7 | -37.8 | 179.1 | -28.5 | 34.7 | 0 | 0 | 0 | 114.1 | M210 L211 V233 N235 | P208-M210 VanDerWaalsContact C-N 3.26Å; P208-M210 PolarHBondContact O-N 3.47Å; P208-L211 VanDerWaalsContact O-CB 3.28Å; P208-L211 WeakPolarHBondContact O-CB 3.38Å; P208-L211 WeakPolarHBondContact O-CG 3.29Å; P208-L211 PolarHBondContact O-N 3.07Å; P208-L211 VanDerWaalsContact O-N 3.14Å; P208-V233 HydrophobicContact CB-CG1 4.36Å; P208-V233 HydrophobicContact CG-CG1 3.92Å; P208-N235 WeakPolarHBondContact CD-OD1 3.32Å; P208-N235 WeakPolarHBondContact CG-OD1 3.31Å |
| 209 | D | 92.1 | Very high | 92.8 | Very high | 114 Ų | 114 | 50.3 Ų | 50.3 | 61% | 0.61 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -65.1 | -30.9 | -178 | -56.5 | -26.9 | 0 | 0 | 0 | 112.6 | V207 L211 T212 | V207-D209 HydrophobicContact CG1-CB 4.4Å; V207-D209 PolarHBondContact O-N 2.94Å; V207-D209 VanDerWaalsContact O-N 3.12Å; D209-L211 VanDerWaalsContact C-N 3.31Å; D209-L211 PolarHBondContact O-N 3.49Å; D209-T212 PolarHBondContact O-OG1 3.33Å |
| 210 | M | 92.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -77.1 | -14.6 | 178 | -68.2 | -54.7 | -61.7 | 0 | 0 | 113.7 | F167 E169 V207 P208 T212 K213 I214 | F167-M210 HydrophobicContact CB-CB 4.24Å; F167-M210 HydrophobicContact CB-CG 4.43Å; E169-M210 HydrophobicContact CB-SD 3.73Å; E169-M210 HydrophobicContact CG-CE 3.92Å; E169-M210 HydrophobicContact CG-SD 3.32Å; E169-M210 WeakPolarHBondContact CG-SD 3.06Å; V207-M210 WeakPolarHBondContact O-CB 3.37Å; V207-M210 PolarHBondContact O-N 2.86Å; P208-M210 VanDerWaalsContact C-N 3.26Å; P208-M210 PolarHBondContact O-N 3.47Å; M210-T212 VanDerWaalsContact C-N 3.25Å; M210-T212 PolarHBondContact O-N 3.33Å; M210-K213 HydrophobicContact CE-CB 4.3Å; M210-K213 HydrophobicContact CE-CD 4.17Å; M210-K213 PolarHBondContact O-N 2.9Å; M210-K213 VanDerWaalsContact O-N 3.08Å; M210-K213 HydrophobicContact SD-CD 4.34Å; M210-I214 PolarHBondContact O-N 2.83Å; M210-I214 VanDerWaalsContact O-N 3.12Å |
| 211 | L | 91.3 | Very high | 92.8 | Very high | 52 Ų | 52 | 48.8 Ų | 48.8 | 27% | 0.272 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -60 | -35.5 | -174.3 | -73.6 | -177.4 | 0 | 0 | 0 | 113.3 | A206 P208 D209 K213 I214 V215 P226 V233 | A206-L211 HydrophobicContact CB-CD2 4.25Å; P208-L211 VanDerWaalsContact O-CB 3.28Å; P208-L211 WeakPolarHBondContact O-CB 3.38Å; P208-L211 WeakPolarHBondContact O-CG 3.29Å; P208-L211 PolarHBondContact O-N 3.07Å; P208-L211 VanDerWaalsContact O-N 3.14Å; D209-L211 VanDerWaalsContact C-N 3.31Å; D209-L211 PolarHBondContact O-N 3.49Å; L211-K213 VanDerWaalsContact C-N 3.3Å; L211-K213 PolarHBondContact O-N 3.21Å; L211-I214 HydrophobicContact CD2-CD1 3.76Å; L211-I214 HydrophobicContact CD2-CG1 4.43Å; L211-I214 WeakPolarHBondContact O-CG1 2.92Å; L211-V215 WeakPolarHBondContact O-CG2 3.5Å; L211-P226 HydrophobicContact CD2-CB 4.4Å; L211-V233 HydrophobicContact CD1-CG1 3.78Å; L211-V233 HydrophobicContact CD1-CG2 4.2Å; L211-V233 HydrophobicContact CD2-CG1 4.46Å; L211-V233 HydrophobicContact CD2-CG2 3.84Å; L211-V233 HydrophobicContact CG-CG1 4.26Å; L211-V233 HydrophobicContact CG-CG2 4.48Å |
| 212 | T | 91.8 | Very high | 92.6 | Very high | 108 Ų | 108 | 57.9 Ų | 57.9 | 66% | 0.663 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -66.7 | -34.4 | 179.2 | 56.1 | 0 | 0 | 0 | 0 | 111.9 | D209 M210 V215 | D209-T212 PolarHBondContact O-OG1 3.33Å; M210-T212 VanDerWaalsContact C-N 3.25Å; M210-T212 PolarHBondContact O-N 3.33Å; T212-V215 WeakPolarHBondContact O-CG2 3.34Å |
| 213 | K | 92.3 | Very high | 92.3 | Very high | 89 Ų | 89 | 60.6 Ų | 60.6 | 39% | 0.387 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -33.3 | -177.3 | -64 | 177.9 | 177 | 179.5 | 0 | 112.3 | E169 I191 M210 L211 V215 P216 | E169-K213 WeakPolarHBondContact OE1-CD 3.38Å; E169-K213 WeakPolarHBondContact OE1-CE 3.21Å; E169-K213 IonicContact OE1-NZ 2.61Å; E169-K213 PolarHBondContact OE1-NZ 2.67Å; E169-K213 IonicContact OE2-NZ 2.62Å; E169-K213 PolarHBondContact OE2-NZ 3.21Å; I191-K213 VanDerWaalsContact CD1-O 3.28Å; I191-K213 WeakPolarHBondContact CD1-O 3.45Å; M210-K213 HydrophobicContact CE-CB 4.3Å; M210-K213 HydrophobicContact CE-CD 4.17Å; M210-K213 PolarHBondContact O-N 2.9Å; M210-K213 VanDerWaalsContact O-N 3.08Å; M210-K213 HydrophobicContact SD-CD 4.34Å; L211-K213 VanDerWaalsContact C-N 3.3Å; L211-K213 PolarHBondContact O-N 3.21Å; K213-V215 VanDerWaalsContact C-N 3.31Å; K213-V215 PolarHBondContact O-N 3.21Å; K213-P216 WeakPolarHBondContact O-CD 3.48Å |
| 214 | I | 93.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -82.7 | -0.3 | -179.7 | 67.8 | 174.2 | 0 | 0 | 0 | 114.4 | F167 A206 M210 L211 P216 L217 F225 P226 | F167-I214 HydrophobicContact CB-CG2 4.48Å; F167-I214 HydrophobicContact CD1-CG2 4.01Å; F167-I214 HydrophobicContact CD2-CG2 4.22Å; F167-I214 HydrophobicContact CE1-CG2 4.2Å; F167-I214 HydrophobicContact CE2-CG2 4.39Å; F167-I214 HydrophobicContact CG-CG2 4Å; F167-I214 HydrophobicContact CZ-CG2 4.38Å; A206-I214 HydrophobicContact CB-CD1 4.02Å; M210-I214 PolarHBondContact O-N 2.83Å; M210-I214 VanDerWaalsContact O-N 3.12Å; L211-I214 HydrophobicContact CD2-CD1 3.76Å; L211-I214 HydrophobicContact CD2-CG1 4.43Å; L211-I214 WeakPolarHBondContact O-CG1 2.92Å; I214-P216 VanDerWaalsContact C-N 3.28Å; I214-L217 HydrophobicContact CB-CD1 4.44Å; I214-L217 WeakPolarHBondContact O-CB 3.02Å; I214-L217 PolarHBondContact O-N 2.7Å; I214-F225 HydrophobicContact CD1-CE2 4.04Å; I214-F225 HydrophobicContact CD1-CZ 4.07Å; I214-F225 HydrophobicContact CG1-CE2 3.97Å; I214-F225 HydrophobicContact CG1-CZ 4.02Å; I214-P226 HydrophobicContact CD1-CB 4.43Å; I214-P226 HydrophobicContact CD1-CG 3.9Å |
| 215 | V | 93.3 | Very high | 92.1 | Very high | 81 Ų | 81 | 64.9 Ų | 64.9 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -49.7 | -39.1 | 178.1 | 177.1 | 0 | 0 | 0 | 0 | 113.9 | L211 T212 K213 L217 K218 | L211-V215 WeakPolarHBondContact O-CG2 3.5Å; T212-V215 WeakPolarHBondContact O-CG2 3.34Å; K213-V215 VanDerWaalsContact C-N 3.31Å; K213-V215 PolarHBondContact O-N 3.21Å; V215-L217 PolarHBondContact O-N 3.47Å; V215-L217 VanDerWaalsContact O-N 3.17Å; V215-K218 WeakPolarHBondContact O-CB 3.3Å; V215-K218 PolarHBondContact O-N 2.78Å |
| 216 | P | 92.3 | Very high | 92 | Very high | 79 Ų | 79 | 65 Ų | 65 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -57.1 | -30.3 | 177.2 | -25.8 | 36.4 | 0 | 0 | 0 | 113.7 | K213 I214 K218 | K213-P216 WeakPolarHBondContact O-CD 3.48Å; I214-P216 VanDerWaalsContact C-N 3.28Å; P216-K218 PolarHBondContact O-N 2.89Å |
| 217 | L | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -74.3 | -9.8 | -179.9 | -62.2 | 179.2 | 0 | 0 | 0 | 113.7 | F167 I191 I194 L195 I214 V215 N219 K220 L221 | F167-L217 HydrophobicContact CE1-CD1 4.35Å; F167-L217 HydrophobicContact CE2-CD1 4.46Å; F167-L217 HydrophobicContact CZ-CD1 3.72Å; I191-L217 HydrophobicContact CG1-CD1 4.25Å; I191-L217 HydrophobicContact CG2-CD2 3.97Å; I191-L217 HydrophobicContact CG2-CG 4.07Å; I194-L217 HydrophobicContact CB-CD2 4.18Å; I194-L217 HydrophobicContact CD1-CD1 4.25Å; I194-L217 HydrophobicContact CG2-CD1 4.36Å; I194-L217 HydrophobicContact CG2-CD2 3.86Å; L195-L217 HydrophobicContact CD1-CD2 4.49Å; L195-L217 HydrophobicContact CD2-CD2 3.73Å; L195-L217 HydrophobicContact CG-CD2 3.68Å; I214-L217 HydrophobicContact CB-CD1 4.44Å; I214-L217 WeakPolarHBondContact O-CB 3.02Å; I214-L217 PolarHBondContact O-N 2.7Å; V215-L217 PolarHBondContact O-N 3.47Å; V215-L217 VanDerWaalsContact O-N 3.17Å; L217-N219 VanDerWaalsContact C-N 3.29Å; L217-N219 PolarHBondContact O-N 2.69Å; L217-K220 PolarHBondContact O-N 3.32Å; L217-K220 VanDerWaalsContact O-N 3.11Å; L217-L221 HydrophobicContact CB-CD1 3.88Å; L217-L221 HydrophobicContact CB-CG 4.15Å; L217-L221 HydrophobicContact CD1-CD1 4.22Å; L217-L221 PolarHBondContact O-N 3.38Å |
| 218 | K | 92.5 | Very high | 91.6 | Very high | 126 Ų | 126 | 73.9 Ų | 73.9 | 55% | 0.548 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56.6 | -40.3 | -174.8 | -175 | 178.1 | 178.8 | -177.6 | 0 | 113.1 | V215 P216 R222 F225 | V215-K218 WeakPolarHBondContact O-CB 3.3Å; V215-K218 PolarHBondContact O-N 2.78Å; P216-K218 PolarHBondContact O-N 2.89Å; K218-R222 WeakPolarHBondContact O-CA 3.32Å; K218-R222 PolarHBondContact O-N 2.57Å; K218-F225 HydrophobicContact CB-CD2 4.22Å; K218-F225 HydrophobicContact CB-CE2 4.2Å |
| 219 | N | 91.7 | Very high | 91.3 | Very high | 134 Ų | 134 | 79.4 Ų | 79.4 | 72% | 0.717 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -72.7 | -31.5 | -178.9 | -71.9 | -15 | 0 | 0 | 0 | 112.7 | L217 R222 | L217-N219 VanDerWaalsContact C-N 3.29Å; L217-N219 PolarHBondContact O-N 2.69Å; N219-R222 WeakPolarHBondContact O-CG 3.36Å; N219-R222 PolarHBondContact O-NE 3.19Å |
| 220 | K | 92.6 | Very high | 91 | Very high | 66 Ų | 66 | 76 Ų | 76 | 29% | 0.287 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -80.8 | -52.3 | 179.6 | -170.7 | 166.3 | -168.5 | 170.5 | 0 | 111.5 | I194 L195 D197 L217 | I194-K220 VanDerWaalsContact O-CD 3.3Å; I194-K220 WeakPolarHBondContact O-CD 3.4Å; I194-K220 WeakPolarHBondContact O-CE 3.45Å; I194-K220 PolarHBondContact O-NZ 2.85Å; L195-K220 HydrophobicContact CD2-CB 4.48Å; L195-K220 HydrophobicContact CD2-CD 4.11Å; L195-K220 PolarHBondContact O-NZ 3.47Å; D197-K220 WeakPolarHBondContact OD1-CE 3.49Å; D197-K220 IonicContact OD1-NZ 2.73Å; D197-K220 PolarHBondContact OD1-NZ 2.92Å; D197-K220 IonicContact OD2-NZ 2.82Å; D197-K220 PolarHBondContact OD2-NZ 3.26Å; L217-K220 PolarHBondContact O-N 3.32Å; L217-K220 VanDerWaalsContact O-N 3.11Å |
| 221 | L | 90.7 | Very high | 90.8 | Very high | 16 Ų | 16 | 77.5 Ų | 77.5 | 8% | 0.084 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -74 | -27.8 | -176.5 | -62.8 | -178.4 | 0 | 0 | 0 | 112.9 | I194 Y204 L217 K223 K224 F225 | I194-L221 HydrophobicContact CG2-CD2 4.26Å; Y204-L221 HydrophobicContact CD1-CD1 4.09Å; Y204-L221 HydrophobicContact CD2-CD1 4.23Å; Y204-L221 HydrophobicContact CD2-CD2 4.15Å; Y204-L221 HydrophobicContact CE1-CD1 4.26Å; Y204-L221 HydrophobicContact CE1-CD2 4.04Å; Y204-L221 HydrophobicContact CE2-CD1 4.41Å; Y204-L221 HydrophobicContact CE2-CD2 3.56Å; Y204-L221 HydrophobicContact CG-CD1 4.07Å; Y204-L221 VanDerWaalsContact CZ-CD2 3.49Å; L217-L221 HydrophobicContact CB-CD1 3.88Å; L217-L221 HydrophobicContact CB-CG 4.15Å; L217-L221 HydrophobicContact CD1-CD1 4.22Å; L217-L221 PolarHBondContact O-N 3.38Å; L221-K223 PolarHBondContact O-N 3.44Å; L221-K224 HydrophobicContact CB-CB 4.41Å; L221-K224 PolarHBondContact O-N 3.27Å; L221-F225 HydrophobicContact CB-CB 4.19Å |
| 222 | R | 89.6 | Confident | 90.8 | Very high | 193 Ų | 193 | 75.5 Ų | 75.5 | 73% | 0.728 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | 41.7 | -91.9 | 178.9 | -59.3 | -172.8 | 179.6 | -160.8 | 1.2 | 114.1 | K218 N219 | K218-R222 WeakPolarHBondContact O-CA 3.32Å; K218-R222 PolarHBondContact O-N 2.57Å; N219-R222 WeakPolarHBondContact O-CG 3.36Å; N219-R222 PolarHBondContact O-NE 3.19Å |
| 223 | K | 86.1 | Confident | 90.9 | Very high | 123 Ų | 123 | 71.1 Ų | 71.1 | 54% | 0.535 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -73.2 | -31.5 | 179.6 | -67 | -175.3 | 175.1 | -168.5 | 0 | 112.3 | L221 F225 R230 Q251 | L221-K223 PolarHBondContact O-N 3.44Å; K223-F225 VanDerWaalsContact C-N 3.33Å; K223-R230 PolarHBondContact O-NH1 2.99Å; K223-R230 PolarHBondContact O-NH2 3.39Å; K223-Q251 VanDerWaalsContact NZ-NE2 3.12Å |
| 224 | K | 89.6 | Confident | 90.9 | Very high | 90 Ų | 90 | 68.6 Ų | 68.6 | 39% | 0.391 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -85.3 | -2.2 | -179.6 | -62.2 | -172.7 | 170.7 | -171.4 | 0 | 113.8 | A201 Y204 L221 | A201-K224 PolarHBondContact O-NZ 3.42Å; Y204-K224 HydrophobicContact CD2-CB 3.89Å; Y204-K224 HydrophobicContact CE2-CB 4.03Å; Y204-K224 HydrophobicContact CE2-CD 3.98Å; L221-K224 HydrophobicContact CB-CB 4.41Å; L221-K224 PolarHBondContact O-N 3.27Å |
| 225 | F | 92.9 | Very high | 90.7 | Very high | 29 Ų | 29 | 73.7 Ų | 73.7 | 13% | 0.127 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -64.6 | 135.5 | -178.7 | -174.9 | -96.1 | 0 | 0 | 0 | 111.3 | I214 K218 L221 K223 K227 | I214-F225 HydrophobicContact CD1-CE2 4.04Å; I214-F225 HydrophobicContact CD1-CZ 4.07Å; I214-F225 HydrophobicContact CG1-CE2 3.97Å; I214-F225 HydrophobicContact CG1-CZ 4.02Å; K218-F225 HydrophobicContact CB-CD2 4.22Å; K218-F225 HydrophobicContact CB-CE2 4.2Å; L221-F225 HydrophobicContact CB-CB 4.19Å; K223-F225 VanDerWaalsContact C-N 3.33Å; F225-K227 PolarHBondContact O-N 2.92Å |
| 226 | P | 92.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 74.4 Ų | 74.4 | 3% | 0.026 | 37% | 0.369 | C | S | . | . | trans | -59.2 | 130.5 | -179 | -23.8 | 32.5 | 0 | 0 | 0 | 112.9 | A206 L211 I214 T232 V233 | A206-P226 HydrophobicContact CB-CB 4.02Å; A206-P226 HydrophobicContact CB-CG 4.03Å; L211-P226 HydrophobicContact CD2-CB 4.4Å; I214-P226 HydrophobicContact CD1-CB 4.43Å; I214-P226 HydrophobicContact CD1-CG 3.9Å; P226-T232 WeakPolarHBondContact CA-OG1 3.49Å; P226-V233 HydrophobicContact CB-CG2 3.83Å | ||
| 227 | K | 91.9 | Very high | 90.5 | Very high | 95 Ų | 95 | 70.9 Ų | 70.9 | 41% | 0.413 | 35% | 0.346 | S | S | . | . | trans | -135.6 | 136.6 | 176.9 | -65.6 | 179.9 | -173.2 | 179.6 | 0 | 110.9 | F225 K229 R230 G231 T232 | F225-K227 PolarHBondContact O-N 2.92Å; K227-K229 VanDerWaalsContact C-N 3.3Å; K227-K229 PolarHBondContact O-N 3.42Å; K227-R230 HydrophobicContact CB-CB 4.47Å; K227-R230 HydrophobicContact CB-CG 4.19Å; K227-R230 PolarHBondContact O-N 2.89Å; K227-G231 PolarHBondContact O-N 3.46Å; K227-T232 PolarHBondContact N-OG1 3.44Å; K227-T232 PolarHBondContact O-OG1 3.3Å | ||
| 228 | S | 89.1 | Confident | 90.4 | Very high | 95 Ų | 95 | 72.3 Ų | 72.3 | 66% | 0.664 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -57.6 | -40.3 | 176 | 174.3 | 0 | 0 | 0 | 0 | 112.6 | R230 G231 | S228-R230 PolarHBondContact O-N 3.42Å; S228-R230 VanDerWaalsContact O-N 3.08Å; S228-G231 PolarHBondContact O-N 2.65Å |
| 229 | K | 86.1 | Confident | 90.3 | Very high | 171 Ų | 171 | 71.8 Ų | 71.8 | 74% | 0.743 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -58.1 | -24.6 | 175.3 | -72.4 | -169.4 | 176.7 | -174.4 | 0 | 114.2 | D145 K227 | D145-K229 IonicContact OD2-NZ 3Å; D145-K229 PolarHBondContact OD2-NZ 3.1Å; K227-K229 VanDerWaalsContact C-N 3.3Å; K227-K229 PolarHBondContact O-N 3.42Å |
| 230 | R | 86.3 | Confident | 90.3 | Very high | 43 Ų | 43 | 65.6 Ų | 65.6 | 16% | 0.162 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -92.5 | -6.3 | 179 | -65.4 | -174.8 | 179.1 | -162 | 9.7 | 113.2 | V148 K223 K227 S228 T232 E249 | V148-R230 HydrophobicContact CB-CG 4.46Å; K223-R230 PolarHBondContact O-NH1 2.99Å; K223-R230 PolarHBondContact O-NH2 3.39Å; K227-R230 HydrophobicContact CB-CB 4.47Å; K227-R230 HydrophobicContact CB-CG 4.19Å; K227-R230 PolarHBondContact O-N 2.89Å; S228-R230 PolarHBondContact O-N 3.42Å; S228-R230 VanDerWaalsContact O-N 3.08Å; R230-T232 HydrophobicContact CB-CG2 4.11Å; R230-T232 PolarHBondContact O-N 3.15Å; R230-E249 IonicContact NH1-OE1 3.66Å; R230-E249 PolarHBondContact NH1-OE1 2.98Å |
| 231 | G | 87.3 | Confident | 90.2 | Very high | 32 Ų | 32 | 62.7 Ų | 62.7 | 33% | 0.33 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 12.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K227 S228 V233 T234 | K227-G231 PolarHBondContact O-N 3.46Å; S228-G231 PolarHBondContact O-N 2.65Å; G231-V233 VanDerWaalsContact C-N 3.3Å; G231-T234 VanDerWaalsContact O-CG2 3.24Å; G231-T234 WeakPolarHBondContact O-CG2 3.25Å |
| 232 | T | 91.2 | Very high | 90.2 | Very high | 11 Ų | 11 | 68.3 Ų | 68.3 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | trans | -86 | -6.9 | 173.8 | 64.5 | 0 | 0 | 0 | 0 | 112.4 | V205 A206 P226 K227 R230 F244 | V205-T232 WeakPolarHBondContact CA-O 3.44Å; A206-T232 PolarHBondContact N-O 2.95Å; P226-T232 WeakPolarHBondContact CA-OG1 3.49Å; K227-T232 PolarHBondContact N-OG1 3.44Å; K227-T232 PolarHBondContact O-OG1 3.3Å; R230-T232 HydrophobicContact CB-CG2 4.11Å; R230-T232 PolarHBondContact O-N 3.15Å; T232-F244 HydrophobicContact CG2-CE1 3.88Å; T232-F244 HydrophobicContact CG2-CE2 4.02Å; T232-F244 HydrophobicContact CG2-CZ 3.49Å; T232-F244 VanDerWaalsContact CG2-CZ 3.49Å | ||
| 233 | V | 94 | Very high | 90.2 | Very high | 16 Ų | 16 | 64 Ų | 64 | 10% | 0.097 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -109.4 | 103.7 | 172.5 | -179.1 | 0 | 0 | 0 | 0 | 107.3 | A206 P208 L211 P226 G231 | A206-V233 VanDerWaalsContact O-CA 3.27Å; A206-V233 WeakPolarHBondContact O-CA 3.3Å; P208-V233 HydrophobicContact CB-CG1 4.36Å; P208-V233 HydrophobicContact CG-CG1 3.92Å; L211-V233 HydrophobicContact CD1-CG1 3.78Å; L211-V233 HydrophobicContact CD1-CG2 4.2Å; L211-V233 HydrophobicContact CD2-CG1 4.46Å; L211-V233 HydrophobicContact CD2-CG2 3.84Å; L211-V233 HydrophobicContact CG-CG1 4.26Å; L211-V233 HydrophobicContact CG-CG2 4.48Å; P226-V233 HydrophobicContact CB-CG2 3.83Å; G231-V233 VanDerWaalsContact C-N 3.3Å |
| 234 | T | 92.1 | Very high | 90.5 | Very high | 35 Ų | 35 | 58.4 Ų | 58.4 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | trans | -152.6 | 143.7 | -169.5 | 47.9 | 0 | 0 | 0 | 0 | 111 | A206 G231 | A206-T234 PolarHBondContact O-N 3.17Å; G231-T234 VanDerWaalsContact O-CG2 3.24Å; G231-T234 WeakPolarHBondContact O-CG2 3.25Å | ||
| 235 | N | 90.7 | Very high | 90.5 | Very high | 109 Ų | 109 | 57.7 Ų | 57.7 | 58% | 0.583 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -78.5 | -26 | 169.4 | -60.4 | -5.5 | 0 | 0 | 0 | 111.3 | P208 I237 | P208-N235 WeakPolarHBondContact CD-OD1 3.32Å; P208-N235 WeakPolarHBondContact CG-OD1 3.31Å; N235-I237 PolarHBondContact O-N 3.49Å; N235-I237 VanDerWaalsContact O-N 3.15Å |
| 236 | N | 90.6 | Very high | 90.3 | Very high | 96 Ų | 96 | 59.7 Ų | 59.7 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | trans | -86.2 | 81 | 179.1 | -64.3 | -12.8 | 0 | 0 | 0 | 111 | S238 Q239 A240 | N236-S238 PolarHBondContact O-N 2.81Å; N236-Q239 PolarHBondContact ND2-OE1 3.44Å; N236-A240 PolarHBondContact O-N 2.83Å | ||
| 237 | I | 90.3 | Very high | 90.1 | Very high | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.5 | -37.4 | -174 | -58.9 | 165.2 | 0 | 0 | 0 | 112.2 | V166 T168 Q173 A177 V207 N235 Q239 A240 L241 | V166-I237 HydrophobicContact CG1-CD1 4.31Å; V166-I237 HydrophobicContact CG1-CG2 3.97Å; V166-I237 HydrophobicContact CG2-CG2 4.15Å; T168-I237 HydrophobicContact CG2-CD1 3.55Å; Q173-I237 HydrophobicContact CB-CD1 3.78Å; Q173-I237 HydrophobicContact CG-CD1 4.29Å; A177-I237 HydrophobicContact CB-CG2 3.92Å; V207-I237 HydrophobicContact CG2-CD1 4.34Å; N235-I237 PolarHBondContact O-N 3.49Å; N235-I237 VanDerWaalsContact O-N 3.15Å; I237-Q239 PolarHBondContact O-N 3.01Å; I237-A240 PolarHBondContact O-N 3.35Å; I237-L241 HydrophobicContact CG2-CD1 3.74Å; I237-L241 HydrophobicContact CG2-CG 3.98Å; I237-L241 WeakPolarHBondContact O-CB 3.28Å; I237-L241 VanDerWaalsContact O-CG 3.28Å; I237-L241 WeakPolarHBondContact O-CG 2.94Å; I237-L241 PolarHBondContact O-N 3.23Å |
| 238 | S | 90 | Very high | 90 | Very high | 30 Ų | 30 | 56.2 Ų | 56.2 | 21% | 0.21 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.6 | -48.9 | -178.9 | 47.2 | 0 | 0 | 0 | 0 | 112.9 | N236 A240 L241 Q242 | N236-S238 PolarHBondContact O-N 2.81Å; S238-A240 VanDerWaalsContact C-N 3.34Å; S238-A240 PolarHBondContact O-N 3.22Å; S238-L241 PolarHBondContact O-N 3.37Å; S238-Q242 WeakPolarHBondContact O-CG 3.25Å; S238-Q242 PolarHBondContact O-N 3.42Å |
| 239 | Q | 90.4 | Very high | 90.1 | Very high | 114 Ų | 114 | 54.8 Ų | 54.8 | 53% | 0.533 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 178.8 | -69.1 | 179 | -15.8 | 0 | 0 | 111.1 | N236 I237 Q242 L243 | N236-Q239 PolarHBondContact ND2-OE1 3.44Å; I237-Q239 PolarHBondContact O-N 3.01Å; Q239-Q242 PolarHBondContact O-N 3.07Å; Q239-L243 WeakPolarHBondContact O-CG 3.16Å; Q239-L243 PolarHBondContact O-N 3.21Å; Q239-L243 VanDerWaalsContact O-N 3.11Å |
| 240 | A | 91.3 | Very high | 90.4 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.4 | -45.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V205 N236 I237 S238 Q242 L243 F244 | V205-A240 HydrophobicContact CG1-CB 4.17Å; N236-A240 PolarHBondContact O-N 2.83Å; I237-A240 PolarHBondContact O-N 3.35Å; S238-A240 VanDerWaalsContact C-N 3.34Å; S238-A240 PolarHBondContact O-N 3.22Å; A240-Q242 PolarHBondContact O-N 2.98Å; A240-L243 PolarHBondContact O-N 3.01Å; A240-F244 HydrophobicContact CB-CD2 4.15Å; A240-F244 HydrophobicContact CB-CE2 4.09Å; A240-F244 WeakPolarHBondContact O-CD2 3.5Å; A240-F244 PolarHBondContact O-N 3.35Å |
| 241 | L | 92.1 | Very high | 90.7 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 178.6 | -75.5 | 175 | 0 | 0 | 0 | 112.3 | V164 V166 A177 N180 A182 I237 S238 L243 F244 K245 | V164-L241 HydrophobicContact CB-CD2 3.9Å; V164-L241 HydrophobicContact CG1-CD2 3.63Å; V166-L241 HydrophobicContact CG2-CD2 3.74Å; V166-L241 HydrophobicContact CG2-CG 4.37Å; A177-L241 HydrophobicContact CB-CD1 4.43Å; N180-L241 HydrophobicContact CB-CD1 3.61Å; A182-L241 HydrophobicContact CB-CD1 4.18Å; A182-L241 HydrophobicContact CB-CD2 3.98Å; I237-L241 HydrophobicContact CG2-CD1 3.74Å; I237-L241 HydrophobicContact CG2-CG 3.98Å; I237-L241 WeakPolarHBondContact O-CB 3.28Å; I237-L241 VanDerWaalsContact O-CG 3.28Å; I237-L241 WeakPolarHBondContact O-CG 2.94Å; I237-L241 PolarHBondContact O-N 3.23Å; S238-L241 PolarHBondContact O-N 3.37Å; L241-L243 VanDerWaalsContact C-N 3.32Å; L241-L243 PolarHBondContact O-N 3.49Å; L241-F244 PolarHBondContact O-N 3.21Å; L241-K245 WeakPolarHBondContact O-CB 3.43Å; L241-K245 PolarHBondContact O-N 3.4Å |
| 242 | Q | 90 | Very high | 90.9 | Very high | 133 Ų | 133 | 46.8 Ų | 46.8 | 62% | 0.621 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -60.2 | -43.1 | 177.2 | -72.3 | 176 | -6.9 | 0 | 0 | 111.9 | S238 Q239 A240 T246 | S238-Q242 WeakPolarHBondContact O-CG 3.25Å; S238-Q242 PolarHBondContact O-N 3.42Å; Q239-Q242 PolarHBondContact O-N 3.07Å; A240-Q242 PolarHBondContact O-N 2.98Å; Q242-T246 PolarHBondContact O-OG1 3.09Å |
| 243 | L | 90.1 | Very high | 90.7 | Very high | 102 Ų | 102 | 50.6 Ų | 50.6 | 53% | 0.534 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.9 | -48 | 178 | -73.7 | 174 | 0 | 0 | 0 | 112.4 | Q239 A240 L241 G247 | Q239-L243 WeakPolarHBondContact O-CG 3.16Å; Q239-L243 PolarHBondContact O-N 3.21Å; Q239-L243 VanDerWaalsContact O-N 3.11Å; A240-L243 PolarHBondContact O-N 3.01Å; L241-L243 VanDerWaalsContact C-N 3.32Å; L241-L243 PolarHBondContact O-N 3.49Å; L243-G247 WeakPolarHBondContact O-CA 3.48Å; L243-G247 PolarHBondContact O-N 3.34Å |
| 244 | F | 91.5 | Very high | 89.9 | Confident | 7 Ų | 7 | 55.2 Ų | 55.2 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -79.6 | -25.7 | -173.8 | -67.5 | -62.3 | 0 | 0 | 0 | 113.7 | T150 N162 V164 F203 V205 T232 A240 L241 T246 | T150-F244 HydrophobicContact CG2-CD1 3.93Å; T150-F244 HydrophobicContact CG2-CE1 4.06Å; N162-F244 WeakPolarHBondContact CB-O 3.39Å; N162-F244 PolarHBondContact ND2-O 2.97Å; V164-F244 HydrophobicContact CG1-CB 4.49Å; V164-F244 HydrophobicContact CG2-CB 3.96Å; F203-F244 HydrophobicContact CB-CB 4.13Å; F203-F244 HydrophobicContact CB-CG 4.42Å; F203-F244 HydrophobicContact CD1-CB 4.41Å; F203-F244 AromaticContact CD1-CD1 3.57Å; F203-F244 HydrophobicContact CD1-CD1 3.57Å; F203-F244 HydrophobicContact CD1-CE1 4.23Å; F203-F244 HydrophobicContact CD1-CG 4.24Å; F203-F244 HydrophobicContact CD2-CB 4.29Å; F203-F244 AromaticContact CE1-CD1 3.9Å; F203-F244 HydrophobicContact CE1-CD1 3.9Å; F203-F244 HydrophobicContact CE1-CE1 4.48Å; F203-F244 HydrophobicContact CG-CB 4.01Å; F203-F244 HydrophobicContact CG-CD1 4.05Å; F203-F244 HydrophobicContact CG-CG 4.28Å; V205-F244 HydrophobicContact CG2-CD2 3.74Å; V205-F244 HydrophobicContact CG2-CE2 4.15Å; T232-F244 HydrophobicContact CG2-CE1 3.88Å; T232-F244 HydrophobicContact CG2-CE2 4.02Å; T232-F244 HydrophobicContact CG2-CZ 3.49Å; T232-F244 VanDerWaalsContact CG2-CZ 3.49Å; A240-F244 HydrophobicContact CB-CD2 4.15Å; A240-F244 HydrophobicContact CB-CE2 4.09Å; A240-F244 WeakPolarHBondContact O-CD2 3.5Å; A240-F244 PolarHBondContact O-N 3.35Å; L241-F244 PolarHBondContact O-N 3.21Å; F244-T246 VanDerWaalsContact C-N 3.33Å; F244-T246 PolarHBondContact O-N 3.46Å |
| 245 | K | 89.4 | Confident | 89.5 | Confident | 74 Ų | 74 | 59 Ų | 59 | 32% | 0.322 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 178.3 | -174.1 | 174.3 | -175.9 | 175.7 | 0 | 112.9 | M161 N162 L241 | M161-K245 HydrophobicContact CB-CG 4.37Å; M161-K245 HydrophobicContact SD-CD 4.41Å; M161-K245 WeakPolarHBondContact SD-CE 3.42Å; M161-K245 HydrophobicContact SD-CG 4.37Å; N162-K245 PolarHBondContact N-O 2.8Å; L241-K245 WeakPolarHBondContact O-CB 3.43Å; L241-K245 PolarHBondContact O-N 3.4Å |
| 246 | T | 88.6 | Confident | 89.4 | Confident | 72 Ų | 72 | 55.6 Ų | 55.6 | 44% | 0.442 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -111 | -3 | 178.8 | 59.9 | 0 | 0 | 0 | 0 | 113 | H152 Q242 F244 | H152-T246 PolarHBondContact CE1-OG1 3.06Å; H152-T246 PolarHBondContact ND1-OG1 3.33Å; Q242-T246 PolarHBondContact O-OG1 3.09Å; F244-T246 VanDerWaalsContact C-N 3.33Å; F244-T246 PolarHBondContact O-N 3.46Å |
| 247 | G | 88.7 | Confident | 89.5 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 5% | 0.052 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 138.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N162 L243 | N162-G247 PolarHBondContact ND2-O 3.26Å; L243-G247 WeakPolarHBondContact O-CA 3.48Å; L243-G247 PolarHBondContact O-N 3.34Å |
| 248 | H | 91.4 | Very high | 89.6 | Confident | 20 Ų | 20 | 53.4 Ų | 53.4 | 9% | 0.093 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 116.1 | 170.3 | -169.4 | 83.1 | 0 | 0 | 0 | 109.5 | T150 V151 L153 F157 T260 Q261 | T150-H248 WeakPolarHBondContact CA-O 3.49Å; V151-H248 PolarHBondContact N-O 3.48Å; V151-H248 WeakPolarHBondContact O-CB 3.29Å; V151-H248 PolarHBondContact O-N 3.32Å; L153-H248 HydrophobicContact CD1-CB 3.69Å; L153-H248 HydrophobicContact CD2-CB 4.48Å; L153-H248 HydrophobicContact CG-CB 3.76Å; F157-H248 AromaticContact CZ-CE1 3.92Å; F157-H248 AromaticContact CZ-ND1 3.99Å; H248-T260 WeakPolarHBondContact NE2-CG2 3.17Å; H248-Q261 PolarHBondContact CE1-O 3.37Å; H248-Q261 PolarHBondContact NE2-O 3.02Å; H248-Q261 VanDerWaalsContact NE2-O 3.11Å |
| 249 | E | 91.1 | Very high | 89.8 | Confident | 66 Ų | 66 | 58.8 Ų | 58.8 | 31% | 0.308 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 132.4 | 178.2 | -173.4 | -179.7 | -159.1 | 0 | 0 | 110.9 | V148 S149 F203 R230 | V148-E249 HydrophobicContact CG1-CG 3.61Å; V148-E249 WeakPolarHBondContact CG1-OE1 3.48Å; S149-E249 WeakPolarHBondContact O-CA 3.34Å; F203-E249 HydrophobicContact CE1-CB 3.94Å; F203-E249 HydrophobicContact CE1-CG 4.37Å; F203-E249 HydrophobicContact CZ-CB 3.85Å; R230-E249 IonicContact NH1-OE1 3.66Å; R230-E249 PolarHBondContact NH1-OE1 2.98Å |
| 250 | Y | 92.6 | Very high | 90 | Very high | 5 Ų | 5 | 53.7 Ų | 53.7 | 2% | 0.02 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 150.7 | 167.1 | 71.9 | -93.2 | 0 | 0 | 0 | 111.2 | F147 V148 S149 V151 V258 T260 D282 V283 | F147-Y250 AromaticContact CE2-CE2 3.77Å; F147-Y250 HydrophobicContact CE2-CE2 3.77Å; F147-Y250 HydrophobicContact CZ-CE2 4.4Å; V148-Y250 WeakPolarHBondContact CA-O 3.2Å; S149-Y250 VanDerWaalsContact CB-CZ 3.47Å; S149-Y250 WeakPolarHBondContact CB-OH 3.44Å; S149-Y250 PolarHBondContact N-O 2.8Å; S149-Y250 PolarHBondContact O-N 3.32Å; V151-Y250 HydrophobicContact CG2-CD1 4.42Å; V151-Y250 HydrophobicContact CG2-CE1 3.7Å; Y250-V258 HydrophobicContact CD2-CG1 3.55Å; Y250-V258 HydrophobicContact CD2-CG2 4.41Å; Y250-V258 HydrophobicContact CE2-CG1 4.28Å; Y250-V258 HydrophobicContact CG-CG1 4.22Å; Y250-T260 WeakPolarHBondContact CB-OG1 3.33Å; Y250-D282 WeakPolarHBondContact CE1-OD2 3.28Å; Y250-D282 PolarHBondContact OH-OD2 3.44Å; Y250-V283 HydrophobicContact CE1-CG2 4.34Å; Y250-V283 HydrophobicContact CE2-CG2 3.59Å; Y250-V283 VanDerWaalsContact CZ-CG2 3.48Å; Y250-V283 VanDerWaalsContact OH-CG2 3.3Å; Y250-V283 WeakPolarHBondContact OH-CG2 3.44Å; Y250-V283 PolarHBondContact OH-N 2.7Å |
| 251 | Q | 91.3 | Very high | 90.1 | Very high | 60 Ų | 60 | 55.6 Ų | 55.6 | 28% | 0.28 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 149.7 | -177.8 | 69.7 | -171.5 | -25.3 | 0 | 0 | 111.4 | V148 K223 | V148-Q251 HydrophobicContact CB-CB 4.35Å; V148-Q251 HydrophobicContact CG1-CB 4.15Å; V148-Q251 HydrophobicContact CG2-CB 3.66Å; K223-Q251 VanDerWaalsContact NZ-NE2 3.12Å |
| 252 | V | 90.9 | Very high | 90.2 | Very high | 12 Ų | 12 | 55.3 Ų | 55.3 | 7% | 0.073 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -82.8 | 121.5 | 166.9 | -171.5 | 0 | 0 | 0 | 0 | 109.1 | L134 M136 P146 F147 V258 | L134-V252 HydrophobicContact CD1-CG2 4.05Å; M136-V252 HydrophobicContact CE-CG1 4.13Å; M136-V252 HydrophobicContact SD-CG1 3.59Å; M136-V252 VanDerWaalsContact SD-CG1 3.59Å; P146-V252 HydrophobicContact CB-CB 4.31Å; F147-V252 HydrophobicContact CD1-CG2 3.9Å; F147-V252 HydrophobicContact CD2-CG2 4.42Å; F147-V252 HydrophobicContact CE1-CG2 3.71Å; F147-V252 HydrophobicContact CE2-CG2 4.25Å; F147-V252 HydrophobicContact CG-CG2 4.25Å; F147-V252 HydrophobicContact CZ-CG2 3.9Å; F147-V252 PolarHBondContact O-N 3.43Å; V252-V258 HydrophobicContact CB-CG2 4.32Å; V252-V258 HydrophobicContact CG2-CG2 3.76Å |
| 253 | E | 87.7 | Confident | 90.4 | Very high | 92 Ų | 92 | 49 Ų | 49 | 43% | 0.43 | 25% | 0.251 | S | S | . | . | trans | -77.2 | 168.4 | 173.9 | -61.8 | -170.7 | 164.8 | 0 | 0 | 111.5 | D255 C256 F257 | E253-D255 PolarHBondContact O-N 2.91Å; E253-C256 PolarHBondContact O-N 3.37Å; E253-C256 VanDerWaalsContact O-N 3.09Å; E253-F257 PolarHBondContact N-O 2.94Å | ||
| 254 | S | 77.6 | Confident | 90.6 | Very high | 113 Ų | 113 | 45.5 Ų | 45.5 | 79% | 0.79 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -29.1 | -173.6 | 48.2 | 0 | 0 | 0 | 0 | 114.2 | C256 | S254-C256 VanDerWaalsContact C-N 3.31Å; S254-C256 PolarHBondContact O-N 3.01Å |
| 255 | D | 82.7 | Confident | 90.7 | Very high | 113 Ų | 113 | 45.5 Ų | 45.5 | 60% | 0.604 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 21 | -176 | -66.7 | -19 | 0 | 0 | 0 | 113.1 | E253 F257 | E253-D255 PolarHBondContact O-N 2.91Å; D255-F257 HydrophobicContact CB-CD2 3.55Å; D255-F257 HydrophobicContact CB-CE2 3.76Å; D255-F257 WeakPolarHBondContact O-CD2 3.44Å; D255-F257 PolarHBondContact O-N 3.4Å |
| 256 | C | 88.8 | Confident | 90.9 | Very high | 38 Ų | 38 | 47.7 Ų | 47.7 | 26% | 0.257 | 25% | 0.25 | S | C | . | . | S | Bend | trans | 62.4 | 26.3 | -177.6 | -48.2 | 0 | 0 | 0 | 0 | 113.2 | L134 M136 E253 S254 | L134-C256 PolarHBondContact N-O 3.32Å; L134-C256 VanDerWaalsContact O-CB 3.3Å; L134-C256 WeakPolarHBondContact O-CB 3.37Å; M136-C256 HydrophobicContact CG-CB 3.91Å; M136-C256 HydrophobicContact SD-CB 3.79Å; E253-C256 PolarHBondContact O-N 3.37Å; E253-C256 VanDerWaalsContact O-N 3.09Å; S254-C256 VanDerWaalsContact C-N 3.31Å; S254-C256 PolarHBondContact O-N 3.01Å |
| 257 | F | 92.4 | Very high | 91.1 | Very high | 53 Ų | 53 | 45.1 Ų | 45.1 | 23% | 0.232 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 144.1 | 173.4 | -67.8 | -70.7 | 0 | 0 | 0 | 110.9 | L132 K133 E253 D255 | L132-F257 CarbonylContact O-C 3.48Å; L132-F257 VanDerWaalsContact O-CA 3.27Å; L132-F257 WeakPolarHBondContact O-CA 3.24Å; K133-F257 HydrophobicContact CB-CD1 3.89Å; K133-F257 HydrophobicContact CB-CE1 3.57Å; K133-F257 HydrophobicContact CD-CE1 3.7Å; K133-F257 HydrophobicContact CD-CZ 3.93Å; K133-F257 HydrophobicContact CG-CD1 3.96Å; K133-F257 HydrophobicContact CG-CE1 3.41Å; K133-F257 VanDerWaalsContact CG-CE1 3.41Å; K133-F257 HydrophobicContact CG-CZ 3.97Å; E253-F257 PolarHBondContact N-O 2.94Å; D255-F257 HydrophobicContact CB-CD2 3.55Å; D255-F257 HydrophobicContact CB-CE2 3.76Å; D255-F257 WeakPolarHBondContact O-CD2 3.44Å; D255-F257 PolarHBondContact O-N 3.4Å |
| 258 | V | 94.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 114.2 | 165.9 | 174 | 0 | 0 | 0 | 0 | 106.7 | D131 L132 L134 Y250 V252 T260 | D131-V258 CarbonylContact C-O 3.33Å; D131-V258 WeakPolarHBondContact CA-O 3.21Å; L132-V258 HydrophobicContact CB-CB 4.3Å; L132-V258 PolarHBondContact N-O 3.25Å; L132-V258 PolarHBondContact O-N 2.73Å; L134-V258 HydrophobicContact CD1-CG2 3.56Å; L134-V258 HydrophobicContact CG-CG2 4.25Å; Y250-V258 HydrophobicContact CD2-CG1 3.55Å; Y250-V258 HydrophobicContact CD2-CG2 4.41Å; Y250-V258 HydrophobicContact CE2-CG1 4.28Å; Y250-V258 HydrophobicContact CG-CG1 4.22Å; V252-V258 HydrophobicContact CB-CG2 4.32Å; V252-V258 HydrophobicContact CG2-CG2 3.76Å; V258-T260 VanDerWaalsContact CG1-OG1 3.29Å; V258-T260 WeakPolarHBondContact CG1-OG1 3.46Å |
| 259 | R | 93.6 | Very high | 91.6 | Very high | 143 Ų | 143 | 48.5 Ų | 48.5 | 54% | 0.54 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 118.4 | 174 | 176.1 | 161.5 | -171.6 | -167.4 | 2.9 | 109.4 | I130 D131 | I130-R259 WeakPolarHBondContact O-CA 3.43Å; D131-R259 WeakPolarHBondContact OD1-CB 3.47Å; D131-R259 WeakPolarHBondContact OD1-CD 3.47Å; D131-R259 WeakPolarHBondContact OD1-CG 3.44Å; D131-R259 IonicContact OD1-NE 2.67Å |
| 260 | T | 94.3 | Very high | 91.8 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 5% | 0.049 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 139.8 | -169.2 | -51.1 | 0 | 0 | 0 | 0 | 111.1 | Y129 I130 H248 Y250 V258 | Y129-T260 WeakPolarHBondContact CA-O 3.29Å; I130-T260 PolarHBondContact N-O 3.06Å; I130-T260 PolarHBondContact O-N 3.39Å; H248-T260 WeakPolarHBondContact NE2-CG2 3.17Å; Y250-T260 WeakPolarHBondContact CB-OG1 3.33Å; V258-T260 VanDerWaalsContact CG1-OG1 3.29Å; V258-T260 WeakPolarHBondContact CG1-OG1 3.46Å |
| 261 | Q | 94.5 | Very high | 91.9 | Very high | 44 Ų | 44 | 56.3 Ų | 56.3 | 21% | 0.206 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 130 | 172.4 | -175.6 | -174.7 | -4.3 | 0 | 0 | 110 | P127 V128 Y129 F157 H248 | P127-Q261 HydrophobicContact CB-CG 3.94Å; V128-Q261 WeakPolarHBondContact O-CA 3.32Å; Y129-Q261 HydrophobicContact CD1-CB 3.93Å; Y129-Q261 HydrophobicContact CE1-CB 3.8Å; Y129-Q261 HydrophobicContact CE1-CG 4.32Å; F157-Q261 HydrophobicContact CE2-CG 3.88Å; F157-Q261 HydrophobicContact CZ-CB 4.22Å; F157-Q261 HydrophobicContact CZ-CG 3.8Å; H248-Q261 PolarHBondContact CE1-O 3.37Å; H248-Q261 PolarHBondContact NE2-O 3.02Å; H248-Q261 VanDerWaalsContact NE2-O 3.11Å |
| 262 | I | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | -28.7 | -174.7 | 61.9 | 162.6 | 0 | 0 | 0 | 114.2 | V128 I130 F157 I272 N275 L276 I279 M300 | V128-I262 HydrophobicContact CB-CD1 4.41Å; V128-I262 HydrophobicContact CB-CG1 4.01Å; V128-I262 HydrophobicContact CG1-CD1 3.8Å; V128-I262 HydrophobicContact CG1-CG1 3.87Å; V128-I262 WeakPolarHBondContact O-CG1 3.45Å; V128-I262 PolarHBondContact O-N 3.2Å; I130-I262 HydrophobicContact CB-CG2 4.26Å; I130-I262 HydrophobicContact CD1-CB 4.24Å; I130-I262 HydrophobicContact CD1-CD1 3.61Å; I130-I262 HydrophobicContact CD1-CG1 4.22Å; I130-I262 HydrophobicContact CD1-CG2 3.35Å; I130-I262 HydrophobicContact CG1-CB 4.42Å; I130-I262 HydrophobicContact CG1-CD1 3.68Å; I130-I262 HydrophobicContact CG1-CG1 4.07Å; I130-I262 HydrophobicContact CG1-CG2 3.56Å; F157-I262 VanDerWaalsContact CD1-O 3.31Å; F157-I262 WeakPolarHBondContact CD1-O 3.49Å; F157-I262 VanDerWaalsContact CE1-C 3.45Å; F157-I262 WeakPolarHBondContact CE1-O 3.36Å; I262-I272 HydrophobicContact CD1-CG2 3.9Å; I262-N275 PolarHBondContact O-ND2 3.18Å; I262-L276 HydrophobicContact CD1-CB 4.24Å; I262-L276 HydrophobicContact CD1-CD1 4.06Å; I262-I279 HydrophobicContact CB-CD1 4.17Å; I262-I279 HydrophobicContact CG2-CD1 3.37Å; I262-M300 HydrophobicContact CD1-CE 4.02Å |
| 263 | A | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.1 | 178 | -170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V128 M267 I272 | V128-A263 PolarHBondContact N-O 2.65Å; A263-M267 HydrophobicContact CB-SD 3.79Å; A263-I272 HydrophobicContact CB-CB 4.28Å; A263-I272 HydrophobicContact CB-CG1 3.79Å; A263-I272 HydrophobicContact CB-CG2 4.04Å |
| 264 | T | 93.6 | Very high | 92.6 | Very high | 28 Ų | 28 | 52.5 Ų | 52.5 | 17% | 0.172 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 154.6 | 162.1 | 50.6 | 0 | 0 | 0 | 0 | 109.8 | Q126 D266 M267 | Q126-T264 CarbonylContact O-C 3.38Å; Q126-T264 VanDerWaalsContact O-CA 3.25Å; Q126-T264 WeakPolarHBondContact O-CA 3.47Å; T264-D266 PolarHBondContact O-N 2.84Å; T264-M267 WeakPolarHBondContact O-CB 3.48Å; T264-M267 PolarHBondContact O-N 2.86Å |
| 265 | L | 93.3 | Very high | 93.4 | Very high | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -21.8 | -176.8 | -75 | -179.8 | 0 | 0 | 0 | 113.8 | L113 K114 Q117 A124 Q126 V128 M267 | L113-L265 HydrophobicContact CB-CD2 3.97Å; K114-L265 WeakPolarHBondContact CE-O 3.28Å; K114-L265 HydrophobicContact CG-CD2 4.14Å; Q117-L265 HydrophobicContact CB-CD1 3.61Å; Q117-L265 HydrophobicContact CG-CD1 3.88Å; A124-L265 CarbonylContact O-C 3.55Å; A124-L265 WeakPolarHBondContact O-CB 3.29Å; Q126-L265 HydrophobicContact CB-CD1 3.92Å; Q126-L265 HydrophobicContact CB-CG 4.31Å; Q126-L265 PolarHBondContact O-N 3.35Å; V128-L265 HydrophobicContact CG2-CD2 3.34Å; V128-L265 HydrophobicContact CG2-CG 3.66Å; L265-M267 PolarHBondContact O-N 3.46Å |
| 266 | D | 92.7 | Very high | 94 | Very high | 121 Ų | 121 | 41.8 Ų | 41.8 | 65% | 0.647 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -25.6 | 175 | -168 | 38.6 | 0 | 0 | 0 | 113 | A124 T264 | A124-D266 PolarHBondContact O-N 2.96Å; T264-D266 PolarHBondContact O-N 2.84Å |
| 267 | M | 94.1 | Very high | 94.2 | Very high | 18 Ų | 18 | 43 Ų | 43 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -67.6 | 149.2 | 179.3 | -61.4 | -179.6 | 77 | 0 | 0 | 112.1 | K114 H155 F157 A263 T264 L265 Q271 I272 | K114-M267 VanDerWaalsContact CE-O 3.25Å; K114-M267 WeakPolarHBondContact CE-O 3.13Å; K114-M267 PolarHBondContact NZ-O 2.69Å; H155-M267 HydrophobicContact CB-CE 3.67Å; F157-M267 HydrophobicContact CB-CE 4.49Å; F157-M267 HydrophobicContact CB-SD 3.63Å; A263-M267 HydrophobicContact CB-SD 3.79Å; T264-M267 WeakPolarHBondContact O-CB 3.48Å; T264-M267 PolarHBondContact O-N 2.86Å; L265-M267 PolarHBondContact O-N 3.46Å; M267-Q271 HydrophobicContact CE-CB 4.09Å; M267-I272 HydrophobicContact CB-CD1 4.29Å; M267-I272 HydrophobicContact CB-CG1 3.91Å |
| 268 | P | 94.9 | Very high | 94.3 | Very high | 62 Ų | 62 | 41.7 Ų | 41.7 | 40% | 0.403 | 21% | 0.213 | S | C | . | . | trans | -63.3 | 148.7 | 174.3 | 28.4 | -36.1 | 0 | 0 | 0 | 111.5 | E270 Q271 I272 | P268-E270 PolarHBondContact O-N 3.3Å; P268-Q271 HydrophobicContact CG-CB 3.96Å; P268-Q271 HydrophobicContact CG-CG 3.55Å; P268-Q271 PolarHBondContact O-N 3.11Å; P268-Q271 VanDerWaalsContact O-N 3.08Å; P268-I272 PolarHBondContact O-N 2.97Å | ||
| 269 | S | 94.9 | Very high | 94.2 | Very high | 34 Ų | 34 | 41.7 Ų | 41.7 | 24% | 0.238 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.4 | -33 | -169.9 | -59.1 | 0 | 0 | 0 | 0 | 112.3 | D111 K114 I272 F273 | D111-S269 PolarHBondContact OD1-OG 2.92Å; D111-S269 VanDerWaalsContact OD1-OG 3.09Å; K114-S269 PolarHBondContact NZ-OG 2.96Å; S269-I272 PolarHBondContact O-N 3.34Å; S269-F273 WeakPolarHBondContact O-CB 3.35Å; S269-F273 PolarHBondContact O-N 3.11Å |
| 270 | E | 94.9 | Very high | 94.2 | Very high | 165 Ų | 165 | 34.9 Ų | 34.9 | 77% | 0.771 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -63 | -41.9 | 176.7 | -62.1 | 175.7 | -174.9 | 0 | 0 | 112.6 | P268 F273 A274 | P268-E270 PolarHBondContact O-N 3.3Å; E270-F273 PolarHBondContact O-N 3.1Å; E270-A274 PolarHBondContact O-N 2.99Å |
| 271 | Q | 95.1 | Very high | 94.1 | Very high | 69 Ų | 69 | 37.4 Ų | 37.4 | 32% | 0.322 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -69.6 | -38.6 | 179.2 | -69.6 | 178.2 | 7.6 | 0 | 0 | 111.5 | H155 M267 P268 F273 A274 N275 | H155-Q271 HydrophobicContact CB-CB 4.1Å; H155-Q271 HydrophobicContact CB-CG 4.4Å; M267-Q271 HydrophobicContact CE-CB 4.09Å; P268-Q271 HydrophobicContact CG-CB 3.96Å; P268-Q271 HydrophobicContact CG-CG 3.55Å; P268-Q271 PolarHBondContact O-N 3.11Å; P268-Q271 VanDerWaalsContact O-N 3.08Å; Q271-F273 VanDerWaalsContact C-N 3.3Å; Q271-F273 PolarHBondContact O-N 3.49Å; Q271-A274 PolarHBondContact O-N 3.43Å; Q271-N275 PolarHBondContact O-N 2.85Å |
| 272 | I | 94.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 174.3 | -58.4 | 176.4 | 0 | 0 | 0 | 109.8 | I110 I262 A263 M267 P268 S269 N275 L276 | I110-I272 HydrophobicContact CD1-CB 4.26Å; I110-I272 HydrophobicContact CD1-CG2 3.94Å; I110-I272 HydrophobicContact CG1-CG2 4Å; I110-I272 HydrophobicContact CG2-CB 4.27Å; I110-I272 HydrophobicContact CG2-CD1 4.01Å; I110-I272 HydrophobicContact CG2-CG2 4.25Å; I262-I272 HydrophobicContact CD1-CG2 3.9Å; A263-I272 HydrophobicContact CB-CB 4.28Å; A263-I272 HydrophobicContact CB-CG1 3.79Å; A263-I272 HydrophobicContact CB-CG2 4.04Å; M267-I272 HydrophobicContact CB-CD1 4.29Å; M267-I272 HydrophobicContact CB-CG1 3.91Å; P268-I272 PolarHBondContact O-N 2.97Å; S269-I272 PolarHBondContact O-N 3.34Å; I272-N275 PolarHBondContact O-N 3.32Å; I272-L276 WeakPolarHBondContact O-CB 3.5Å; I272-L276 PolarHBondContact O-N 3.09Å |
| 273 | F | 95 | Very high | 93.8 | Very high | 58 Ų | 58 | 36.8 Ų | 36.8 | 25% | 0.254 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.2 | -44.5 | 177.8 | -173.8 | -88.9 | 0 | 0 | 0 | 112.1 | A106 I110 S269 E270 Q271 N275 L276 Q277 V315 | A106-F273 HydrophobicContact CB-CD2 4.32Å; A106-F273 HydrophobicContact CB-CE2 3.97Å; I110-F273 HydrophobicContact CD1-CB 3.91Å; I110-F273 HydrophobicContact CD1-CD2 4.2Å; S269-F273 WeakPolarHBondContact O-CB 3.35Å; S269-F273 PolarHBondContact O-N 3.11Å; E270-F273 PolarHBondContact O-N 3.1Å; Q271-F273 VanDerWaalsContact C-N 3.3Å; Q271-F273 PolarHBondContact O-N 3.49Å; F273-N275 PolarHBondContact O-N 3.15Å; F273-L276 WeakPolarHBondContact O-CB 3.33Å; F273-L276 PolarHBondContact O-N 3.32Å; F273-Q277 PolarHBondContact O-N 2.99Å; F273-V315 HydrophobicContact CE1-CG1 4.29Å; F273-V315 HydrophobicContact CE2-CB 4.47Å; F273-V315 HydrophobicContact CE2-CG1 4.25Å; F273-V315 HydrophobicContact CE2-CG2 3.86Å; F273-V315 HydrophobicContact CZ-CB 4.26Å; F273-V315 HydrophobicContact CZ-CG1 3.92Å; F273-V315 HydrophobicContact CZ-CG2 4.12Å |
| 274 | A | 94.8 | Very high | 93.5 | Very high | 26 Ų | 26 | 38.5 Ų | 38.5 | 22% | 0.215 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.5 | -41.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P154 E270 Q271 L276 Q277 A278 | P154-A274 HydrophobicContact CG-CB 4.21Å; E270-A274 PolarHBondContact O-N 2.99Å; Q271-A274 PolarHBondContact O-N 3.43Å; A274-L276 VanDerWaalsContact C-N 3.35Å; A274-Q277 PolarHBondContact O-N 3.41Å; A274-A278 PolarHBondContact O-N 3.25Å |
| 275 | N | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.4 | -42.7 | 173.6 | -76.9 | -4.2 | 0 | 0 | 0 | 112.1 | L153 P154 H155 I262 Q271 I272 F273 Q277 A278 I279 | L153-N275 HydrophobicContact CD2-CB 4.35Å; P154-N275 VanDerWaalsContact CD-OD1 3.28Å; P154-N275 WeakPolarHBondContact CD-OD1 3.42Å; P154-N275 WeakPolarHBondContact CG-OD1 3.31Å; H155-N275 WeakPolarHBondContact CB-OD1 3.23Å; H155-N275 PolarHBondContact N-OD1 3.03Å; H155-N275 PolarHBondContact O-ND2 2.73Å; H155-N275 PolarHBondContact O-OD1 2.92Å; I262-N275 PolarHBondContact O-ND2 3.18Å; Q271-N275 PolarHBondContact O-N 2.85Å; I272-N275 PolarHBondContact O-N 3.32Å; F273-N275 PolarHBondContact O-N 3.15Å; N275-Q277 VanDerWaalsContact C-N 3.33Å; N275-Q277 PolarHBondContact O-N 2.88Å; N275-A278 PolarHBondContact O-N 3.34Å; N275-I279 PolarHBondContact O-N 3.47Å |
| 276 | L | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 176.9 | -171.9 | 152.1 | 0 | 0 | 0 | 111 | I130 I262 I272 F273 A274 I279 L280 M300 F310 V315 | I130-L276 HydrophobicContact CD1-CB 4.19Å; I130-L276 HydrophobicContact CD1-CD1 3.46Å; I130-L276 VanDerWaalsContact CD1-CD1 3.46Å; I130-L276 HydrophobicContact CD1-CG 3.44Å; I130-L276 VanDerWaalsContact CD1-CG 3.44Å; I130-L276 HydrophobicContact CG1-CD1 4.32Å; I262-L276 HydrophobicContact CD1-CB 4.24Å; I262-L276 HydrophobicContact CD1-CD1 4.06Å; I272-L276 WeakPolarHBondContact O-CB 3.5Å; I272-L276 PolarHBondContact O-N 3.09Å; F273-L276 WeakPolarHBondContact O-CB 3.33Å; F273-L276 PolarHBondContact O-N 3.32Å; A274-L276 VanDerWaalsContact C-N 3.35Å; L276-I279 PolarHBondContact O-N 2.93Å; L276-L280 HydrophobicContact CD2-CD1 3.44Å; L276-L280 VanDerWaalsContact CD2-CD1 3.44Å; L276-L280 HydrophobicContact CD2-CG 4.06Å; L276-L280 WeakPolarHBondContact O-CG 3.49Å; L276-L280 PolarHBondContact O-N 2.95Å; L276-M300 HydrophobicContact CD1-CE 3.7Å; L276-M300 HydrophobicContact CD1-CG 4.41Å; L276-M300 HydrophobicContact CD1-SD 3.64Å; L276-F310 HydrophobicContact CD1-CE2 4.33Å; L276-F310 HydrophobicContact CD1-CZ 4.17Å; L276-F310 HydrophobicContact CD2-CE2 4.16Å; L276-F310 HydrophobicContact CD2-CZ 4.49Å; L276-V315 HydrophobicContact CD2-CB 4.03Å; L276-V315 HydrophobicContact CD2-CG1 3.54Å; L276-V315 HydrophobicContact CD2-CG2 3.74Å |
| 277 | Q | 93.9 | Very high | 92.2 | Very high | 64 Ų | 64 | 41.6 Ų | 41.6 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 176.8 | -173.4 | 175.8 | 20.3 | 0 | 0 | 112.5 | F273 A274 N275 I279 L280 T281 V315 | F273-Q277 PolarHBondContact O-N 2.99Å; A274-Q277 PolarHBondContact O-N 3.41Å; N275-Q277 VanDerWaalsContact C-N 3.33Å; N275-Q277 PolarHBondContact O-N 2.88Å; Q277-I279 PolarHBondContact O-N 3.08Å; Q277-L280 PolarHBondContact O-N 3.01Å; Q277-T281 WeakPolarHBondContact O-CB 3.4Å; Q277-T281 PolarHBondContact O-N 3.02Å; Q277-T281 PolarHBondContact O-OG1 3.2Å; Q277-V315 HydrophobicContact CB-CG1 3.67Å; Q277-V315 HydrophobicContact CG-CG1 4.03Å; Q277-V315 WeakPolarHBondContact CG-O 3.45Å; Q277-V315 PolarHBondContact NE2-O 3Å |
| 278 | A | 93.6 | Very high | 91.1 | Very high | 25 Ų | 25 | 44.5 Ų | 44.5 | 21% | 0.207 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.2 | -45.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P154 A274 N275 D282 | P154-A278 HydrophobicContact CG-CB 4.46Å; A274-A278 PolarHBondContact O-N 3.25Å; N275-A278 PolarHBondContact O-N 3.34Å; A278-D282 PolarHBondContact O-N 3.34Å; A278-D282 VanDerWaalsContact O-N 3.1Å |
| 279 | I | 93.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.3 | -47.6 | 178.6 | -67.5 | 167.9 | 0 | 0 | 0 | 111.2 | L153 I262 N275 L276 Q277 T281 D282 V283 | L153-I279 HydrophobicContact CD2-CD1 3.87Å; L153-I279 HydrophobicContact CD2-CG1 3.8Å; I262-I279 HydrophobicContact CB-CD1 4.17Å; I262-I279 HydrophobicContact CG2-CD1 3.37Å; N275-I279 PolarHBondContact O-N 3.47Å; L276-I279 PolarHBondContact O-N 2.93Å; Q277-I279 PolarHBondContact O-N 3.08Å; I279-T281 VanDerWaalsContact C-N 3.29Å; I279-T281 PolarHBondContact O-N 3.18Å; I279-D282 PolarHBondContact O-N 2.98Å; I279-V283 HydrophobicContact CG2-CG2 4.15Å; I279-V283 WeakPolarHBondContact O-CB 3.48Å; I279-V283 VanDerWaalsContact O-CG2 3.24Å; I279-V283 WeakPolarHBondContact O-CG2 3.22Å; I279-V283 PolarHBondContact O-N 3.43Å |
| 280 | L | 92.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 179.8 | -74.6 | -176.6 | 0 | 0 | 0 | 112.2 | L132 L276 Q277 V283 C284 F310 T312 V315 L316 | L132-L280 HydrophobicContact CD1-CD2 3.67Å; L132-L280 HydrophobicContact CD2-CD2 3.9Å; L132-L280 HydrophobicContact CG-CD2 4.45Å; L276-L280 HydrophobicContact CD2-CD1 3.44Å; L276-L280 VanDerWaalsContact CD2-CD1 3.44Å; L276-L280 HydrophobicContact CD2-CG 4.06Å; L276-L280 WeakPolarHBondContact O-CG 3.49Å; L276-L280 PolarHBondContact O-N 2.95Å; Q277-L280 PolarHBondContact O-N 3.01Å; L280-V283 PolarHBondContact O-N 3.16Å; L280-C284 WeakPolarHBondContact O-CB 3.39Å; L280-C284 PolarHBondContact O-N 2.61Å; L280-C284 PolarHBondContact O-SG 3.5Å; L280-C284 VanDerWaalsContact O-SG 3.35Å; L280-F310 HydrophobicContact CD1-CE2 4.43Å; L280-T312 HydrophobicContact CD1-CG2 4.29Å; L280-T312 HydrophobicContact CD2-CG2 4.24Å; L280-V315 HydrophobicContact CD1-CB 3.86Å; L280-V315 HydrophobicContact CD1-CG1 4.04Å; L280-V315 HydrophobicContact CD1-CG2 4.31Å; L280-L316 HydrophobicContact CB-CD2 3.94Å |
| 281 | T | 91.6 | Very high | 87.7 | Confident | 60 Ų | 60 | 44.1 Ų | 44.1 | 37% | 0.368 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 177.1 | -55.7 | 0 | 0 | 0 | 0 | 111 | Q277 I279 C284 S285 | Q277-T281 WeakPolarHBondContact O-CB 3.4Å; Q277-T281 PolarHBondContact O-N 3.02Å; Q277-T281 PolarHBondContact O-OG1 3.2Å; I279-T281 VanDerWaalsContact C-N 3.29Å; I279-T281 PolarHBondContact O-N 3.18Å; T281-C284 PolarHBondContact O-N 3.14Å; T281-S285 WeakPolarHBondContact O-CB 3.26Å; T281-S285 PolarHBondContact O-N 3.5Å |
| 282 | D | 91.4 | Very high | 86.7 | Confident | 32 Ų | 32 | 42.8 Ų | 42.8 | 17% | 0.171 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 176.4 | -176.4 | 63.7 | 0 | 0 | 0 | 111.7 | S149 V151 Y250 A278 I279 C284 S285 R286 | S149-D282 WeakPolarHBondContact CB-OD2 3.49Å; S149-D282 PolarHBondContact OG-OD2 3.41Å; V151-D282 HydrophobicContact CG1-CB 4.47Å; V151-D282 HydrophobicContact CG2-CB 3.42Å; V151-D282 VanDerWaalsContact CG2-CB 3.42Å; V151-D282 WeakPolarHBondContact CG2-OD2 3.45Å; Y250-D282 WeakPolarHBondContact CE1-OD2 3.28Å; Y250-D282 PolarHBondContact OH-OD2 3.44Å; A278-D282 PolarHBondContact O-N 3.34Å; A278-D282 VanDerWaalsContact O-N 3.1Å; I279-D282 PolarHBondContact O-N 2.98Å; D282-C284 PolarHBondContact O-N 3Å; D282-S285 WeakPolarHBondContact O-CB 3.36Å; D282-S285 PolarHBondContact O-N 3.43Å; D282-S285 VanDerWaalsContact O-N 3.15Å; D282-S285 PolarHBondContact O-OG 3.02Å; D282-R286 WeakPolarHBondContact O-CG 3.42Å; D282-R286 PolarHBondContact O-N 3.25Å |
| 283 | V | 90.8 | Very high | 86 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58 | -48 | 177.4 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | L132 L134 Y250 I279 L280 S285 R286 F294 | L132-V283 HydrophobicContact CD1-CG1 4.44Å; L132-V283 HydrophobicContact CD1-CG2 4.25Å; L134-V283 HydrophobicContact CD1-CG1 4.25Å; L134-V283 HydrophobicContact CD2-CG1 3.7Å; Y250-V283 HydrophobicContact CE1-CG2 4.34Å; Y250-V283 HydrophobicContact CE2-CG2 3.59Å; Y250-V283 VanDerWaalsContact CZ-CG2 3.48Å; Y250-V283 VanDerWaalsContact OH-CG2 3.3Å; Y250-V283 WeakPolarHBondContact OH-CG2 3.44Å; Y250-V283 PolarHBondContact OH-N 2.7Å; I279-V283 HydrophobicContact CG2-CG2 4.15Å; I279-V283 WeakPolarHBondContact O-CB 3.48Å; I279-V283 VanDerWaalsContact O-CG2 3.24Å; I279-V283 WeakPolarHBondContact O-CG2 3.22Å; I279-V283 PolarHBondContact O-N 3.43Å; L280-V283 PolarHBondContact O-N 3.16Å; V283-S285 VanDerWaalsContact C-N 3.31Å; V283-S285 PolarHBondContact O-N 2.98Å; V283-R286 WeakPolarHBondContact O-CB 3.37Å; V283-R286 PolarHBondContact O-N 3.07Å; V283-F294 HydrophobicContact CG1-CD1 3.82Å; V283-F294 HydrophobicContact CG1-CE1 3.71Å; V283-F294 VanDerWaalsContact O-CD1 3.28Å; V283-F294 WeakPolarHBondContact O-CD1 3.33Å; V283-F294 WeakPolarHBondContact O-CE1 3.25Å |
| 284 | C | 88.3 | Confident | 85.6 | Confident | 36 Ų | 36 | 45.6 Ų | 45.6 | 24% | 0.243 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.9 | -33.2 | 178.1 | -74 | 0 | 0 | 0 | 0 | 112.6 | L280 T281 D282 R286 R287 L316 | L280-C284 WeakPolarHBondContact O-CB 3.39Å; L280-C284 PolarHBondContact O-N 2.61Å; L280-C284 PolarHBondContact O-SG 3.5Å; L280-C284 VanDerWaalsContact O-SG 3.35Å; T281-C284 PolarHBondContact O-N 3.14Å; D282-C284 PolarHBondContact O-N 3Å; C284-R286 PolarHBondContact O-N 3.27Å; C284-R287 PolarHBondContact O-N 2.93Å; C284-L316 HydrophobicContact CB-CD2 4.37Å |
| 285 | S | 87.1 | Confident | 85.4 | Confident | 80 Ų | 80 | 45.1 Ų | 45.1 | 56% | 0.559 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.1 | -24.3 | 177.6 | 82.5 | 0 | 0 | 0 | 0 | 113.6 | T281 D282 V283 R287 | T281-S285 WeakPolarHBondContact O-CB 3.26Å; T281-S285 PolarHBondContact O-N 3.5Å; D282-S285 WeakPolarHBondContact O-CB 3.36Å; D282-S285 PolarHBondContact O-N 3.43Å; D282-S285 VanDerWaalsContact O-N 3.15Å; D282-S285 PolarHBondContact O-OG 3.02Å; V283-S285 VanDerWaalsContact C-N 3.31Å; V283-S285 PolarHBondContact O-N 2.98Å; S285-R287 VanDerWaalsContact C-N 3.27Å; S285-R287 PolarHBondContact O-N 3.14Å |
| 286 | R | 84.4 | Confident | 85.1 | Confident | 114 Ų | 114 | 49.8 Ų | 49.8 | 43% | 0.43 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -17.2 | -178.1 | -62.1 | -71.5 | -176.2 | -167.4 | 1.2 | 113.3 | F147 S149 D282 V283 C284 | F147-R286 HydrophobicContact CD2-CG 4.25Å; F147-R286 HydrophobicContact CE1-CB 3.98Å; F147-R286 HydrophobicContact CE1-CG 4.24Å; F147-R286 HydrophobicContact CE2-CB 4.3Å; F147-R286 HydrophobicContact CE2-CG 3.65Å; F147-R286 HydrophobicContact CZ-CB 3.81Å; F147-R286 HydrophobicContact CZ-CG 3.65Å; S149-R286 PolarHBondContact OG-NH2 3.23Å; D282-R286 WeakPolarHBondContact O-CG 3.42Å; D282-R286 PolarHBondContact O-N 3.25Å; V283-R286 WeakPolarHBondContact O-CB 3.37Å; V283-R286 PolarHBondContact O-N 3.07Å; C284-R286 PolarHBondContact O-N 3.27Å |
| 287 | R | 80.4 | Confident | 85 | Confident | 26 Ų | 26 | 53.8 Ų | 53.8 | 10% | 0.098 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -114.5 | 133.4 | 175.3 | -173.1 | 173 | 173.2 | -178.8 | -12.8 | 109.3 | D135 C284 S285 A289 L291 F294 | D135-R287 VanDerWaalsContact CB-NH1 3.27Å; D135-R287 PolarHBondContact O-NH1 3.15Å; C284-R287 PolarHBondContact O-N 2.93Å; S285-R287 VanDerWaalsContact C-N 3.27Å; S285-R287 PolarHBondContact O-N 3.14Å; R287-A289 PolarHBondContact O-N 3.28Å; R287-L291 HydrophobicContact CG-CB 4.36Å; R287-L291 HydrophobicContact CG-CD1 4.06Å; R287-L291 VanDerWaalsContact NE-CB 3.29Å; R287-L291 PolarHBondContact NH2-O 3.29Å; R287-F294 HydrophobicContact CB-CB 4.28Å; R287-F294 HydrophobicContact CB-CD1 4.14Å; R287-F294 HydrophobicContact CB-CD2 3.93Å; R287-F294 HydrophobicContact CB-CE1 4.45Å; R287-F294 HydrophobicContact CB-CE2 4.24Å; R287-F294 HydrophobicContact CB-CG 3.86Å; R287-F294 HydrophobicContact CB-CZ 4.48Å; R287-F294 HydrophobicContact CG-CD2 4.19Å; R287-F294 HydrophobicContact CG-CG 4.45Å |
| 288 | P | 72.6 | Confident | 85 | Confident | 80 Ų | 80 | 51 Ų | 51 | 52% | 0.519 | 31% | 0.31 | S | S | . | . | trans | -63.2 | 138 | 176 | 26 | -33.7 | 0 | 0 | 0 | 110.6 | S290 L291 | P288-S290 PolarHBondContact O-N 3.34Å; P288-L291 HydrophobicContact CG-CD1 3.67Å; P288-L291 HydrophobicContact CG-CG 4.13Å; P288-L291 PolarHBondContact O-N 2.95Å | ||
| 289 | A | 69.8 | Low | 85.1 | Confident | 100 Ų | 100 | 50.4 Ų | 50.4 | 83% | 0.826 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -59.1 | -22.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R287 L291 G292 | R287-A289 PolarHBondContact O-N 3.28Å; A289-L291 PolarHBondContact O-N 3.11Å; A289-L291 VanDerWaalsContact O-N 3.16Å; A289-G292 PolarHBondContact O-N 2.85Å |
| 290 | S | 70.6 | Confident | 85.2 | Confident | 107 Ų | 107 | 50.3 Ų | 50.3 | 75% | 0.748 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -63.1 | -19.1 | 179.2 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | P288 | P288-S290 PolarHBondContact O-N 3.34Š|
| 291 | L | 71.7 | Confident | 85.3 | Confident | 45 Ų | 45 | 50.8 Ų | 50.8 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -93 | 7.7 | -174.1 | -64.6 | 174.9 | 0 | 0 | 0 | 113.7 | L138 R287 P288 A289 | L138-L291 HydrophobicContact CD2-CD1 3.43Å; L138-L291 VanDerWaalsContact CD2-CD1 3.43Å; R287-L291 HydrophobicContact CG-CB 4.36Å; R287-L291 HydrophobicContact CG-CD1 4.06Å; R287-L291 VanDerWaalsContact NE-CB 3.29Å; R287-L291 PolarHBondContact NH2-O 3.29Å; P288-L291 HydrophobicContact CG-CD1 3.67Å; P288-L291 HydrophobicContact CG-CG 4.13Å; P288-L291 PolarHBondContact O-N 2.95Å; A289-L291 PolarHBondContact O-N 3.11Å; A289-L291 VanDerWaalsContact O-N 3.16Å |
| 292 | G | 74.4 | Confident | 85.4 | Confident | 41 Ų | 41 | 48.2 Ų | 48.2 | 42% | 0.423 | 29% | 0.291 | S | S | . | . | trans | 79.1 | -166.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | A289 F294 | A289-G292 PolarHBondContact O-N 2.85Å; G292-F294 PolarHBondContact O-N 3.44Å | ||
| 293 | P | 80.4 | Confident | 85.1 | Confident | 108 Ų | 108 | 52.8 Ų | 52.8 | 70% | 0.701 | 31% | 0.311 | S | S | * | . | trans | -62.2 | 131.7 | -173.4 | 25.7 | -33.4 | 0 | 0 | 0 | 111.2 | ||||
| 294 | F | 86.8 | Confident | 84.9 | Confident | 10 Ų | 10 | 56.3 Ų | 56.3 | 4% | 0.044 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -88.2 | -32.3 | -179.3 | -175 | -142.7 | 0 | 0 | 0 | 113.3 | L134 D135 F147 V283 R287 G292 | L134-F294 WeakPolarHBondContact CA-O 3.49Å; L134-F294 HydrophobicContact CB-CE2 4.01Å; L134-F294 HydrophobicContact CB-CZ 4.05Å; L134-F294 HydrophobicContact CD1-CE1 3.87Å; L134-F294 HydrophobicContact CD1-CZ 3.73Å; L134-F294 HydrophobicContact CD2-CD1 4.14Å; L134-F294 HydrophobicContact CD2-CE1 4Å; L134-F294 HydrophobicContact CD2-CZ 4.3Å; L134-F294 HydrophobicContact CG-CE1 4.38Å; L134-F294 HydrophobicContact CG-CZ 4.25Å; D135-F294 PolarHBondContact N-O 2.79Å; D135-F294 WeakPolarHBondContact O-CD2 3.46Å; D135-F294 WeakPolarHBondContact O-CE2 3.46Å; F147-F294 HydrophobicContact CE1-CZ 4.24Å; V283-F294 HydrophobicContact CG1-CD1 3.82Å; V283-F294 HydrophobicContact CG1-CE1 3.71Å; V283-F294 VanDerWaalsContact O-CD1 3.28Å; V283-F294 WeakPolarHBondContact O-CD1 3.33Å; V283-F294 WeakPolarHBondContact O-CE1 3.25Å; R287-F294 HydrophobicContact CB-CB 4.28Å; R287-F294 HydrophobicContact CB-CD1 4.14Å; R287-F294 HydrophobicContact CB-CD2 3.93Å; R287-F294 HydrophobicContact CB-CE1 4.45Å; R287-F294 HydrophobicContact CB-CE2 4.24Å; R287-F294 HydrophobicContact CB-CG 3.86Å; R287-F294 HydrophobicContact CB-CZ 4.48Å; R287-F294 HydrophobicContact CG-CD2 4.19Å; R287-F294 HydrophobicContact CG-CG 4.45Å; G292-F294 PolarHBondContact O-N 3.44Å |
| 295 | V | 89.8 | Confident | 84.6 | Confident | 17 Ų | 17 | 55.2 Ų | 55.2 | 10% | 0.103 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 113.7 | -178.8 | -174.6 | 0 | 0 | 0 | 0 | 109.4 | L132 L134 A298 T312 | L132-V295 HydrophobicContact CB-CG1 4.43Å; L132-V295 HydrophobicContact CD2-CG1 4.16Å; L134-V295 HydrophobicContact CD2-CG2 3.93Å; V295-A298 HydrophobicContact CG1-CB 4.21Å; V295-T312 HydrophobicContact CB-CG2 4.12Å; V295-T312 HydrophobicContact CG1-CG2 3.8Å |
| 296 | E | 89.5 | Confident | 84.6 | Confident | 97 Ų | 97 | 57.1 Ų | 57.1 | 45% | 0.453 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | -38.3 | -179.5 | -136.8 | -176.5 | -150.5 | 0 | 0 | 111.3 | K133 D135 | K133-E296 HydrophobicContact CB-CB 4.37Å; K133-E296 VanDerWaalsContact CD-OE2 3.28Å; K133-E296 WeakPolarHBondContact CD-OE2 3.28Å; K133-E296 WeakPolarHBondContact CE-OE2 3.41Å; K133-E296 HydrophobicContact CG-CB 4.44Å; K133-E296 IonicContact NZ-OE2 2.97Å; K133-E296 PolarHBondContact NZ-OE2 3.34Å; K133-E296 PolarHBondContact O-N 3.3Å; D135-E296 VanDerWaalsContact CG-CG 3.47Å; D135-E296 VanDerWaalsContact OD1-CB 3.25Å; D135-E296 WeakPolarHBondContact OD1-CB 3.32Å; D135-E296 WeakPolarHBondContact OD1-CG 3.27Å; D135-E296 WeakPolarHBondContact OD2-CG 3.46Å |
| 297 | R | 91.6 | Very high | 84.9 | Confident | 84 Ų | 84 | 53.8 Ų | 53.8 | 32% | 0.317 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 136.1 | -178.3 | -178.4 | 178.7 | 68.2 | 177.5 | 4.8 | 110 | L132 K133 I299 W309 | L132-R297 CarbonylContact C-O 3.51Å; L132-R297 WeakPolarHBondContact CA-O 3.5Å; K133-R297 HydrophobicContact CB-CB 3.85Å; K133-R297 PolarHBondContact N-O 3.32Å; K133-R297 PolarHBondContact O-N 2.87Å; R297-I299 HydrophobicContact CG-CD1 4.26Å; R297-I299 HydrophobicContact CG-CG1 4.12Å; R297-W309 VanDerWaalsContact CD-CH2 3.41Å; R297-W309 HydrophobicContact CG-CE3 4.22Å; R297-W309 HydrophobicContact CG-CH2 4.27Å; R297-W309 HydrophobicContact CG-CZ3 4.09Å |
| 298 | A | 94.9 | Very high | 85.6 | Confident | 5 Ų | 5 | 53 Ų | 53 | 4% | 0.041 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 132.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L132 V295 F310 T312 | L132-A298 HydrophobicContact CD2-CB 3.58Å; V295-A298 HydrophobicContact CG1-CB 4.21Å; A298-F310 HydrophobicContact CB-CD1 3.97Å; A298-F310 HydrophobicContact CB-CD2 4.43Å; A298-F310 HydrophobicContact CB-CE1 3.47Å; A298-F310 VanDerWaalsContact CB-CE1 3.47Å; A298-F310 HydrophobicContact CB-CE2 3.99Å; A298-F310 HydrophobicContact CB-CG 4.45Å; A298-F310 HydrophobicContact CB-CZ 3.5Å; A298-F310 PolarHBondContact O-N 3.27Å; A298-T312 HydrophobicContact CB-CG2 3.52Å |
| 299 | I | 95.3 | Very high | 86.6 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 7% | 0.067 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 136 | -177.1 | -62.2 | 174.3 | 0 | 0 | 0 | 108.1 | I130 D131 R297 A307 I308 W309 | I130-I299 WeakPolarHBondContact CA-O 3.37Å; D131-I299 HydrophobicContact CB-CB 4.24Å; D131-I299 PolarHBondContact N-O 2.99Å; D131-I299 PolarHBondContact O-N 2.86Å; R297-I299 HydrophobicContact CG-CD1 4.26Å; R297-I299 HydrophobicContact CG-CG1 4.12Å; I299-A307 HydrophobicContact CG2-CB 3.57Å; I299-I308 CarbonylContact C-O 3.59Å; I299-I308 VanDerWaalsContact CA-O 3.29Å; I299-I308 WeakPolarHBondContact CA-O 3.27Å; I299-W309 HydrophobicContact CD1-CZ2 4.36Å; I299-W309 HydrophobicContact CG1-CD2 4.43Å; I299-W309 HydrophobicContact CG1-CG 4.2Å |
| 300 | M | 95.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 138.6 | 166.8 | -57.5 | -179.3 | 65.5 | 0 | 0 | 109.2 | I110 L113 V128 Y129 I130 I262 L276 I308 F310 | I110-M300 HydrophobicContact CD1-CE 4.47Å; I110-M300 HydrophobicContact CG1-CE 3.61Å; I110-M300 HydrophobicContact CG1-SD 4.27Å; L113-M300 HydrophobicContact CD1-CB 3.85Å; L113-M300 HydrophobicContact CD1-CE 4.12Å; V128-M300 HydrophobicContact CG1-CE 4.01Å; Y129-M300 WeakPolarHBondContact O-CA 3.37Å; I130-M300 HydrophobicContact CG1-CG 4.48Å; I262-M300 HydrophobicContact CD1-CE 4.02Å; L276-M300 HydrophobicContact CD1-CE 3.7Å; L276-M300 HydrophobicContact CD1-CG 4.41Å; L276-M300 HydrophobicContact CD1-SD 3.64Å; M300-I308 PolarHBondContact N-O 2.79Å; M300-I308 PolarHBondContact O-N 2.91Å; M300-F310 HydrophobicContact CB-CD1 4.43Å; M300-F310 HydrophobicContact CB-CE1 4.44Å; M300-F310 HydrophobicContact CG-CD1 3.46Å; M300-F310 VanDerWaalsContact CG-CD1 3.46Å; M300-F310 HydrophobicContact CG-CE1 3.29Å; M300-F310 HydrophobicContact CG-CG 4.31Å; M300-F310 HydrophobicContact CG-CZ 4.04Å; M300-F310 HydrophobicContact SD-CD1 4.1Å; M300-F310 HydrophobicContact SD-CE1 4.12Å; M300-F310 HydrophobicContact SD-CG 4.39Å; M300-F310 HydrophobicContact SD-CZ 4.46Å |
| 301 | S | 94.4 | Very high | 88.8 | Confident | 11 Ų | 11 | 49.8 Ų | 49.8 | 8% | 0.077 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 149.9 | 176.3 | 57.8 | 0 | 0 | 0 | 0 | 110.9 | Y129 | Y129-S301 PolarHBondContact N-O 2.84Å; Y129-S301 PolarHBondContact O-N 3.47Å |
| 302 | S | 93.3 | Very high | 89.5 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | trans | -100.3 | 175.6 | 162.3 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | Q126 T304 | Q126-S302 PolarHBondContact OE1-OG 3.11Å; S302-T304 VanDerWaalsContact C-N 3.26Å; S302-T304 PolarHBondContact O-N 3.22Å | ||
| 303 | Q | 86.9 | Confident | 89.9 | Confident | 127 Ų | 127 | 54.5 Ų | 54.5 | 59% | 0.593 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -59.5 | -36.2 | 177 | -73.1 | -177.8 | -11.5 | 0 | 0 | 113.3 | P127 Y129 | P127-Q303 HydrophobicContact CG-CG 3.69Å; Y129-Q303 HydrophobicContact CE2-CG 4.06Å |
| 304 | T | 84.8 | Confident | 89.8 | Confident | 75 Ų | 75 | 52.2 Ų | 52.2 | 46% | 0.46 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -109.3 | -30.3 | -172.6 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | T122 Q126 S302 | T122-T304 HydrophobicContact CG2-CG2 3.94Å; Q126-T304 PolarHBondContact NE2-OG1 3.28Å; Q126-T304 PolarHBondContact OE1-OG1 3.25Å; S302-T304 VanDerWaalsContact C-N 3.26Å; S302-T304 PolarHBondContact O-N 3.22Å |
| 305 | S | 83.5 | Confident | 89.4 | Confident | 13 Ų | 13 | 52 Ų | 52 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -77.9 | 158.5 | -175.1 | -45.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 306 | E | 85.9 | Confident | 88.9 | Confident | 119 Ų | 119 | 53.7 Ų | 53.7 | 56% | 0.556 | 27% | 0.266 | S | S | * | . | trans | -64.9 | 151.4 | 173.2 | -65.5 | -169.9 | 160.4 | 0 | 0 | 112.9 | K96 I308 | K96-E306 IonicContact NZ-OE1 2.69Å; K96-E306 PolarHBondContact NZ-OE1 3.4Å; K96-E306 IonicContact NZ-OE2 2.57Å; K96-E306 PolarHBondContact NZ-OE2 2.98Å; E306-I308 PolarHBondContact O-N 2.75Å | ||
| 307 | A | 91.8 | Very high | 87.8 | Confident | 44 Ų | 44 | 52.7 Ų | 52.7 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | trans | -72 | 112 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I299 | I299-A307 HydrophobicContact CG2-CB 3.57Š| ||
| 308 | I | 94 | Very high | 85.9 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 5% | 0.051 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 130.1 | 179.3 | -49.7 | -178.3 | 0 | 0 | 0 | 109.7 | H104 M112 L113 F116 I299 M300 E306 | H104-I308 HydrophobicContact CB-CG2 4.31Å; M112-I308 HydrophobicContact CB-CD1 3.54Å; M112-I308 HydrophobicContact SD-CD1 4.39Å; L113-I308 HydrophobicContact CD2-CD1 3.87Å; L113-I308 HydrophobicContact CD2-CG1 4.27Å; L113-I308 HydrophobicContact CG-CD1 3.84Å; F116-I308 HydrophobicContact CD2-CD1 4.2Å; F116-I308 HydrophobicContact CE2-CD1 3.57Å; F116-I308 HydrophobicContact CE2-CG1 4.03Å; F116-I308 HydrophobicContact CZ-CD1 4.43Å; I299-I308 CarbonylContact C-O 3.59Å; I299-I308 VanDerWaalsContact CA-O 3.29Å; I299-I308 WeakPolarHBondContact CA-O 3.27Å; M300-I308 PolarHBondContact N-O 2.79Å; M300-I308 PolarHBondContact O-N 2.91Å; E306-I308 PolarHBondContact O-N 2.75Å |
| 309 | W | 94.5 | Very high | 83.7 | Confident | 63 Ų | 63 | 61.2 Ų | 61.2 | 24% | 0.239 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 133.6 | 177 | -71.2 | 36.9 | 0 | 0 | 0 | 109 | R101 I103 H104 R297 I299 | R101-W309 HydrophobicContact CB-CD2 4.41Å; R101-W309 VanDerWaalsContact CD-CE2 3.41Å; R101-W309 VanDerWaalsContact NH1-NE1 3.18Å; I103-W309 WeakPolarHBondContact CA-O 3.39Å; H104-W309 PolarHBondContact N-O 3.01Å; R297-W309 VanDerWaalsContact CD-CH2 3.41Å; R297-W309 HydrophobicContact CG-CE3 4.22Å; R297-W309 HydrophobicContact CG-CH2 4.27Å; R297-W309 HydrophobicContact CG-CZ3 4.09Å; I299-W309 HydrophobicContact CD1-CZ2 4.36Å; I299-W309 HydrophobicContact CG1-CD2 4.43Å; I299-W309 HydrophobicContact CG1-CG 4.2Å |
| 310 | F | 94.2 | Very high | 80.8 | Confident | 7 Ų | 7 | 64.8 Ų | 64.8 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 156.8 | -178.2 | 74.2 | -80.7 | 0 | 0 | 0 | 112.6 | H104 A106 S109 I130 L276 L280 A298 M300 T312 | H104-F310 CarbonylContact O-C 3.57Å; H104-F310 VanDerWaalsContact O-CA 3.23Å; H104-F310 WeakPolarHBondContact O-CA 3.41Å; A106-F310 HydrophobicContact CB-CD2 3.84Å; A106-F310 HydrophobicContact CB-CE2 4.33Å; S109-F310 WeakPolarHBondContact OG-CB 3.41Å; I130-F310 HydrophobicContact CG2-CE1 4.37Å; I130-F310 HydrophobicContact CG2-CZ 4.32Å; L276-F310 HydrophobicContact CD1-CE2 4.33Å; L276-F310 HydrophobicContact CD1-CZ 4.17Å; L276-F310 HydrophobicContact CD2-CE2 4.16Å; L276-F310 HydrophobicContact CD2-CZ 4.49Å; L280-F310 HydrophobicContact CD1-CE2 4.43Å; A298-F310 HydrophobicContact CB-CD1 3.97Å; A298-F310 HydrophobicContact CB-CD2 4.43Å; A298-F310 HydrophobicContact CB-CE1 3.47Å; A298-F310 VanDerWaalsContact CB-CE1 3.47Å; A298-F310 HydrophobicContact CB-CE2 3.99Å; A298-F310 HydrophobicContact CB-CG 4.45Å; A298-F310 HydrophobicContact CB-CZ 3.5Å; A298-F310 PolarHBondContact O-N 3.27Å; M300-F310 HydrophobicContact CB-CD1 4.43Å; M300-F310 HydrophobicContact CB-CE1 4.44Å; M300-F310 HydrophobicContact CG-CD1 3.46Å; M300-F310 VanDerWaalsContact CG-CD1 3.46Å; M300-F310 HydrophobicContact CG-CE1 3.29Å; M300-F310 HydrophobicContact CG-CG 4.31Å; M300-F310 HydrophobicContact CG-CZ 4.04Å; M300-F310 HydrophobicContact SD-CD1 4.1Å; M300-F310 HydrophobicContact SD-CE1 4.12Å; M300-F310 HydrophobicContact SD-CG 4.39Å; M300-F310 HydrophobicContact SD-CZ 4.46Å; F310-T312 HydrophobicContact CE2-CG2 4.42Å |
| 311 | R | 91.3 | Very high | 77.9 | Confident | 150 Ų | 150 | 72.2 Ų | 72.2 | 57% | 0.566 | 39% | 0.392 | S | S | * | . | trans | -81.2 | 130.1 | 175.2 | -60.1 | -173.7 | -173.3 | 172.8 | 2.1 | 110.2 | I103 H104 S314 | I103-R311 HydrophobicContact CG2-CG 3.52Å; H104-R311 PolarHBondContact O-N 3.33Å; R311-S314 PolarHBondContact O-OG 3.45Å | ||
| 312 | T | 87.4 | Confident | 74.9 | Confident | 25 Ų | 25 | 77.8 Ų | 77.8 | 15% | 0.153 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -76.2 | -28.3 | 174.9 | 42.5 | 0 | 0 | 0 | 0 | 112.9 | L280 V295 A298 F310 S314 V315 L316 | L280-T312 HydrophobicContact CD1-CG2 4.29Å; L280-T312 HydrophobicContact CD2-CG2 4.24Å; V295-T312 HydrophobicContact CB-CG2 4.12Å; V295-T312 HydrophobicContact CG1-CG2 3.8Å; A298-T312 HydrophobicContact CB-CG2 3.52Å; F310-T312 HydrophobicContact CE2-CG2 4.42Å; T312-S314 PolarHBondContact O-N 3.15Å; T312-V315 PolarHBondContact O-N 3.21Å; T312-L316 PolarHBondContact O-N 2.77Å |
| 313 | E | 83.4 | Confident | 72.1 | Confident | 160 Ų | 160 | 83.9 Ų | 83.9 | 75% | 0.748 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -31 | 179.6 | -64.2 | 172.4 | -175.4 | 0 | 0 | 113.1 | V315 | E313-V315 PolarHBondContact O-N 3Š|
| 314 | S | 77.2 | Confident | 69.7 | Low | 60 Ų | 60 | 86.7 Ų | 86.7 | 42% | 0.42 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -9.9 | 179.5 | 59.1 | 0 | 0 | 0 | 0 | 113.9 | R311 T312 | R311-S314 PolarHBondContact O-OG 3.45Å; T312-S314 PolarHBondContact O-N 3.15Å |
| 315 | V | 79.1 | Confident | 67.2 | Low | 4 Ų | 4 | 96.1 Ų | 96.1 | 2% | 0.024 | 51% | 0.505 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -35.5 | -173.6 | -171.6 | 0 | 0 | 0 | 0 | 112.5 | A106 F273 L276 Q277 L280 T312 E313 | A106-V315 HydrophobicContact CB-CG2 3.23Å; F273-V315 HydrophobicContact CE1-CG1 4.29Å; F273-V315 HydrophobicContact CE2-CB 4.47Å; F273-V315 HydrophobicContact CE2-CG1 4.25Å; F273-V315 HydrophobicContact CE2-CG2 3.86Å; F273-V315 HydrophobicContact CZ-CB 4.26Å; F273-V315 HydrophobicContact CZ-CG1 3.92Å; F273-V315 HydrophobicContact CZ-CG2 4.12Å; L276-V315 HydrophobicContact CD2-CB 4.03Å; L276-V315 HydrophobicContact CD2-CG1 3.54Å; L276-V315 HydrophobicContact CD2-CG2 3.74Å; Q277-V315 HydrophobicContact CB-CG1 3.67Å; Q277-V315 HydrophobicContact CG-CG1 4.03Å; Q277-V315 WeakPolarHBondContact CG-O 3.45Å; Q277-V315 PolarHBondContact NE2-O 3Å; L280-V315 HydrophobicContact CD1-CB 3.86Å; L280-V315 HydrophobicContact CD1-CG1 4.04Å; L280-V315 HydrophobicContact CD1-CG2 4.31Å; T312-V315 PolarHBondContact O-N 3.21Å; E313-V315 PolarHBondContact O-N 3Å |
| 316 | L | 78 | Confident | 66.4 | Low | 54 Ų | 54 | 100.3 Ų | 100.3 | 28% | 0.283 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -61.7 | 131.7 | 176.9 | -67.1 | 171.8 | 0 | 0 | 0 | 108.3 | L280 C284 T312 E318 | L280-L316 HydrophobicContact CB-CD2 3.94Å; C284-L316 HydrophobicContact CB-CD2 4.37Å; T312-L316 PolarHBondContact O-N 2.77Å; L316-E318 PolarHBondContact O-N 3.3Å; L316-E318 VanDerWaalsContact O-N 3.14Å |
| 317 | P | 66.4 | Low | 65.4 | Low | 75 Ų | 75 | 99.3 Ų | 99.3 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 126.5 | 169.2 | 24.5 | -30.1 | 0 | 0 | 0 | 106.6 | A319 | P317-A319 PolarHBondContact O-N 3.28Š|
| 318 | E | 53.5 | Low | 63.9 | Low | 177 Ų | 177 | 102.4 Ų | 102.4 | 83% | 0.827 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -50.7 | 117 | 170.4 | -71.6 | -173.3 | 168.1 | 0 | 0 | 105.5 | L316 A320 | L316-E318 PolarHBondContact O-N 3.3Å; L316-E318 VanDerWaalsContact O-N 3.14Å; E318-A320 PolarHBondContact O-N 2.97Å |
| 319 | A | 46.7 | Very low | 62.2 | Low | 91 Ų | 91 | 107.8 Ų | 107.8 | 75% | 0.752 | 56% | 0.562 | S | S | * | * | trans | -51.4 | 110.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 105.4 | P317 Q321 | P317-A319 PolarHBondContact O-N 3.28Å; A319-Q321 PolarHBondContact O-N 2.84Å | ||
| 320 | A | 35.6 | Very low | 60.2 | Low | 88 Ų | 88 | 110.6 Ų | 110.6 | 73% | 0.727 | 58% | 0.582 | S | S | * | * | trans | -45.5 | 114.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | E318 T322 | E318-A320 PolarHBondContact O-N 2.97Å; A320-T322 PolarHBondContact O-N 3.46Å | ||
| 321 | Q | 33.3 | Very low | 57.9 | Low | 157 Ų | 157 | 117.5 Ų | 117.5 | 73% | 0.734 | 62% | 0.619 | S | S | * | * | trans | -48.2 | 113.4 | 174.9 | -69.2 | 175.1 | 11.6 | 0 | 0 | 104 | A319 D323 | A319-Q321 PolarHBondContact O-N 2.84Å; Q321-D323 PolarHBondContact O-N 3.37Å | ||
| 322 | T | 33.1 | Very low | 55.5 | Low | 127 Ų | 127 | 115.2 Ų | 115.2 | 78% | 0.779 | 62% | 0.623 | S | S | * | * | trans | -69.4 | 90.5 | 177.5 | -42.2 | 0 | 0 | 0 | 0 | 102.7 | A320 E324 | A320-T322 PolarHBondContact O-N 3.46Å; T322-E324 PolarHBondContact O-N 3.42Å | ||
| 323 | D | 33.6 | Very low | 53 | Low | 136 Ų | 136 | 122.2 Ų | 122.2 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | trans | -62.7 | 84 | 169.3 | -74.4 | -32.2 | 0 | 0 | 0 | 105.3 | Q321 K325 | Q321-D323 PolarHBondContact O-N 3.37Å; D323-K325 VanDerWaalsContact C-N 3.31Å; D323-K325 PolarHBondContact O-N 3.1Å | ||
| 324 | E | 36.9 | Very low | 50.5 | Low | 185 Ų | 185 | 119 Ų | 119 | 86% | 0.864 | 65% | 0.651 | S | S | * | * | trans | -62.6 | 99.7 | 160.5 | -74.1 | -173.9 | 164.4 | 0 | 0 | 106.4 | T322 | T322-E324 PolarHBondContact O-N 3.42Š| ||
| 325 | K | 32.8 | Very low | 48.1 | Very low | 274 Ų | 274 | 124.4 Ų | 124.4 | 100% | 1.191 | 67% | 0.672 | S | S | * | * | trans | -98.3 | 0 | 156.9 | -89.8 | -174.1 | 177.2 | 177.1 | 0 | 109.4 | D323 | D323-K325 VanDerWaalsContact C-N 3.31Å; D323-K325 PolarHBondContact O-N 3.1Å |
Retrieved 325 of 325 residues in 180.9 ms
(Link to these results)