| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.1 | Very low | 33.1 | Very low | 245 Ų | 245 | 169.3 Ų | 169.3 | 100% | 1.207 | 84% | 0.837 | S | S | * | * | 0 | 138.3 | 0 | -74.7 | 163.6 | 90.5 | 0 | 0 | 108.1 | |||||
| 2 | T | 41.3 | Very low | 33.3 | Very low | 140 Ų | 140 | 165.3 Ų | 165.3 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | trans | -52 | 143.2 | -164.8 | 44.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 3 | P | 41.2 | Very low | 32.7 | Very low | 114 Ų | 114 | 160.4 Ų | 160.4 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | trans | -99.1 | 173.3 | 165.9 | 38.6 | -29.6 | 0 | 0 | 0 | 111.9 | ||||
| 4 | L | 38.1 | Very low | 32.7 | Very low | 162 Ų | 162 | 158 Ų | 158 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | trans | 131.1 | 135.5 | 169.4 | -76.2 | 164.7 | 0 | 0 | 0 | 109.4 | ||||
| 5 | D | 35.9 | Very low | 32.3 | Very low | 130 Ų | 130 | 159.9 Ų | 159.9 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | cis | -168.6 | 155.8 | -1.4 | -156.8 | -5.5 | 0 | 0 | 0 | 108.8 | ||||
| 6 | C | 30.6 | Very low | 32.3 | Very low | 89 Ų | 89 | 165.4 Ų | 165.4 | 60% | 0.601 | 82% | 0.816 | S | S | * | * | trans | 65.9 | 119.6 | 141.2 | -93.4 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 7 | R | 30.6 | Very low | 32.2 | Very low | 234 Ų | 234 | 163.4 Ų | 163.4 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | 96.9 | 84.6 | 138.8 | -64 | 175.4 | -171.7 | -147.1 | 2.7 | 118.7 | ||||
| 8 | R | 28.4 | Very low | 31.9 | Very low | 237 Ų | 237 | 159.4 Ų | 159.4 | 89% | 0.894 | 81% | 0.812 | S | S | * | * | trans | -138.8 | 152.2 | 144.8 | -91.8 | -177 | 175.8 | 175.9 | -1.2 | 109.3 | ||||
| 9 | T | 28.3 | Very low | 31.9 | Very low | 124 Ų | 124 | 164.5 Ų | 164.5 | 76% | 0.761 | 82% | 0.82 | S | S | * | * | trans | 81.9 | 129.6 | -176.1 | 66.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 10 | W | 30 | Very low | 31.8 | Very low | 215 Ų | 215 | 160.2 Ų | 160.2 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | cis | -143 | 134.9 | 43.7 | -77.9 | 76.9 | 0 | 0 | 0 | 114.3 | I12 | W10-I12 HydrophobicContact CD2-CD1 4.45Å; W10-I12 HydrophobicContact CE3-CD1 3.41Å; W10-I12 VanDerWaalsContact CE3-CD1 3.41Å; W10-I12 HydrophobicContact CE3-CG1 3.51Å; W10-I12 HydrophobicContact CZ3-CD1 3.53Å; W10-I12 HydrophobicContact CZ3-CG1 3.98Å | ||
| 11 | L | 25.5 | Very low | 31.5 | Very low | 172 Ų | 172 | 161.5 Ų | 161.5 | 90% | 0.901 | 82% | 0.822 | S | S | * | * | trans | -105.4 | 115.5 | 159.7 | -140.9 | 113.3 | 0 | 0 | 0 | 105.3 | ||||
| 12 | I | 35.2 | Very low | 31.6 | Very low | 121 Ų | 121 | 157.9 Ų | 157.9 | 62% | 0.621 | 81% | 0.807 | S | S | * | * | trans | -129.5 | 116.9 | 165.5 | -57.5 | -177.1 | 0 | 0 | 0 | 108.4 | W10 V14 | W10-I12 HydrophobicContact CD2-CD1 4.45Å; W10-I12 HydrophobicContact CE3-CD1 3.41Å; W10-I12 VanDerWaalsContact CE3-CD1 3.41Å; W10-I12 HydrophobicContact CE3-CG1 3.51Å; W10-I12 HydrophobicContact CZ3-CD1 3.53Å; W10-I12 HydrophobicContact CZ3-CG1 3.98Å; I12-V14 HydrophobicContact CG2-CG2 4Å | ||
| 13 | S | 25.4 | Very low | 31.1 | Very low | 102 Ų | 102 | 156.7 Ų | 156.7 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -86.4 | 130.9 | 162.9 | 175.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 14 | V | 32.9 | Very low | 30.7 | Very low | 127 Ų | 127 | 157.7 Ų | 157.7 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -140.6 | 111.4 | 154.9 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | I12 | I12-V14 HydrophobicContact CG2-CG2 4Š| ||
| 15 | K | 27.4 | Very low | 30.5 | Very low | 187 Ų | 187 | 157.8 Ų | 157.8 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -62.5 | 141.4 | 160.8 | -77.1 | 172.2 | 170.9 | 174.6 | 0 | 110.3 | ||||
| 16 | R | 32.3 | Very low | 30.2 | Very low | 248 Ų | 248 | 156.2 Ų | 156.2 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | trans | -149.1 | 137.3 | 140.2 | -107.6 | 177.3 | -166.3 | 164.4 | 3.8 | 111 | ||||
| 17 | T | 30.2 | Very low | 30.4 | Very low | 130 Ų | 130 | 163 Ų | 163 | 80% | 0.798 | 82% | 0.815 | S | S | * | * | trans | -89.1 | 151.8 | -168.7 | 35.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 18 | A | 27.3 | Very low | 30.6 | Very low | 92 Ų | 92 | 157.4 Ų | 157.4 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | 60.6 | 115.4 | 141.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 19 | R | 31 | Very low | 30.8 | Very low | 256 Ų | 256 | 157.3 Ų | 157.3 | 97% | 0.966 | 81% | 0.807 | S | S | * | * | 163.4 | 140.4 | 115.7 | -91.6 | -177 | -178.6 | -155.6 | 1.2 | 109.6 | |||||
| 20 | G | 29.5 | Very low | 31.2 | Very low | 78 Ų | 78 | 160.9 Ų | 160.9 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 137.2 | 57.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | L22 | G20-L22 PolarHBondContact O-N 3.35Š| ||
| 21 | E | 26.5 | Very low | 31.2 | Very low | 188 Ų | 188 | 158.9 Ų | 158.9 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -58.6 | 113 | 157.9 | -177.3 | 178.7 | -167.2 | 0 | 0 | 109.6 | ||||
| 22 | L | 35.2 | Very low | 31.7 | Very low | 169 Ų | 169 | 156 Ų | 156 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | trans | -142.8 | 99.8 | 156.5 | -84.7 | -176.6 | 0 | 0 | 0 | 110.8 | G20 C24 | G20-L22 PolarHBondContact O-N 3.35Å; L22-C24 PolarHBondContact O-N 3.37Å | ||
| 23 | D | 32.4 | Very low | 31.8 | Very low | 116 Ų | 116 | 159.9 Ų | 159.9 | 62% | 0.62 | 82% | 0.818 | S | S | * | * | trans | -55.1 | 109.1 | 167.8 | -138.2 | 7 | 0 | 0 | 0 | 110.6 | K25 | D23-K25 PolarHBondContact O-N 3.46Å; D23-K25 IonicContact OD2-NZ 3.49Å; D23-K25 PolarHBondContact OD2-NZ 2.75Å | ||
| 24 | C | 32.7 | Very low | 32.1 | Very low | 135 Ų | 135 | 165 Ų | 165 | 91% | 0.912 | 83% | 0.827 | S | S | * | * | trans | -78.9 | 72.1 | 170.3 | -72.7 | 0 | 0 | 0 | 0 | 109.9 | L22 | L22-C24 PolarHBondContact O-N 3.37Š| ||
| 25 | K | 33.9 | Very low | 32.2 | Very low | 163 Ų | 163 | 165 Ų | 165 | 71% | 0.709 | 83% | 0.829 | S | S | * | * | trans | -72.5 | 124.2 | 168.9 | -87.5 | -179.3 | 174.7 | 110.4 | 0 | 110.9 | D23 R27 | D23-K25 PolarHBondContact O-N 3.46Å; D23-K25 IonicContact OD2-NZ 3.49Å; D23-K25 PolarHBondContact OD2-NZ 2.75Å; K25-R27 PolarHBondContact O-N 2.93Å | ||
| 26 | A | 28.8 | Very low | 32.4 | Very low | 98 Ų | 98 | 165.7 Ų | 165.7 | 81% | 0.81 | 83% | 0.832 | S | S | * | * | trans | -48.1 | 129 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 27 | R | 34.9 | Very low | 32.6 | Very low | 232 Ų | 232 | 158.7 Ų | 158.7 | 88% | 0.875 | 82% | 0.822 | S | S | * | * | trans | -141.4 | 102 | 157.6 | -97.4 | -175.9 | 178.5 | -175.5 | -0.5 | 111.5 | K25 | K25-R27 PolarHBondContact O-N 2.93Š| ||
| 28 | T | 34.7 | Very low | 32.6 | Very low | 116 Ų | 116 | 159.5 Ų | 159.5 | 71% | 0.712 | 83% | 0.827 | S | S | * | * | 38.4 | 108.1 | 125.7 | 53 | 0 | 0 | 0 | 0 | 118 | K30 | T28-K30 PolarHBondContact O-N 3.48Š| |||
| 29 | R | 32.2 | Very low | 32.6 | Very low | 235 Ų | 235 | 158.6 Ų | 158.6 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 119.6 | 153.1 | -78.2 | 178.1 | 169.2 | 175 | -3.3 | 110.1 | ||
| 30 | K | 36.9 | Very low | 32.6 | Very low | 199 Ų | 199 | 152.9 Ų | 152.9 | 87% | 0.865 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 120.5 | 154.2 | -80.7 | -173.1 | 176.3 | -179.1 | 0 | 108.5 | T28 | T28-K30 PolarHBondContact O-N 3.48Š|
| 31 | H | 29.5 | Very low | 32.6 | Very low | 173 Ų | 173 | 154.9 Ų | 154.9 | 80% | 0.801 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 128.3 | 165.7 | -77.6 | -92.9 | 0 | 0 | 0 | 108.9 | ||
| 32 | S | 37.6 | Very low | 32.7 | Very low | 110 Ų | 110 | 151.8 Ų | 151.8 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | trans | -141.8 | 110.7 | 155.6 | 65.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 33 | K | 36.1 | Very low | 32.5 | Very low | 204 Ų | 204 | 148.3 Ų | 148.3 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | 33.7 | 112.9 | 140.7 | -59.7 | -177.8 | 179 | 179.1 | 0 | 117.9 | ||||
| 34 | K | 32.3 | Very low | 32.2 | Very low | 208 Ų | 208 | 151.7 Ų | 151.7 | 90% | 0.904 | 83% | 0.827 | S | S | * | * | trans | -55.7 | 144.1 | 154.8 | -81.5 | 179.5 | 173 | 178.3 | 0 | 110.5 | ||||
| 35 | P | 34.1 | Very low | 31.9 | Very low | 127 Ų | 127 | 153.4 Ų | 153.4 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | -130.6 | 171.9 | 120.4 | 28.3 | -11.9 | 0 | 0 | 0 | 113.2 | |||||
| 36 | K | 33.4 | Very low | 31.8 | Very low | 202 Ų | 202 | 151.1 Ų | 151.1 | 88% | 0.878 | 83% | 0.831 | S | S | * | * | trans | -72.1 | 153.2 | -168.9 | -71.9 | 171.1 | 173.3 | 174.9 | 0 | 114.1 | ||||
| 37 | S | 34.9 | Very low | 31.8 | Very low | 102 Ų | 102 | 150 Ų | 150 | 71% | 0.713 | 83% | 0.829 | S | S | * | * | trans | 6 | 129.9 | 160.9 | 64.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 38 | T | 30.7 | Very low | 31.6 | Very low | 146 Ų | 146 | 146 Ų | 146 | 90% | 0.896 | 82% | 0.823 | S | S | * | * | 179.2 | 143.4 | 119.6 | 21.1 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 39 | G | 28.3 | Very low | 31.4 | Very low | 73 Ų | 73 | 148.3 Ų | 148.3 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | trans | 75 | 103.8 | 156 | 0 | 0 | 0 | 0 | 0 | 118.2 | P41 | G39-P41 WeakPolarHBondContact O-CD 3.41Š| ||
| 40 | C | 29.2 | Very low | 31.7 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 92% | 0.919 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 122.5 | 151.8 | -77.1 | 0 | 0 | 0 | 0 | 108.6 | ||
| 41 | P | 30.8 | Very low | 31.6 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 127.6 | 157 | 23.2 | -8.1 | 0 | 0 | 0 | 109.2 | G39 A43 | G39-P41 WeakPolarHBondContact O-CD 3.41Å; P41-A43 PolarHBondContact O-N 3.44Å |
| 42 | S | 28.4 | Very low | 31.9 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 125 | 168.4 | -172.4 | 0 | 0 | 0 | 0 | 110 | ||
| 43 | A | 31.7 | Very low | 31.6 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -139.7 | 123.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | P41 | P41-A43 PolarHBondContact O-N 3.44Š| ||
| 44 | K | 24.9 | Very low | 31.6 | Very low | 187 Ų | 187 | 135.6 Ų | 135.6 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -68.5 | 168.2 | -180 | -67.1 | 170.4 | 174.2 | 174.4 | 0 | 112 | ||||
| 45 | L | 27 | Very low | 31.5 | Very low | 171 Ų | 171 | 132.2 Ų | 132.2 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | 83.3 | 127.5 | 168.1 | -56.8 | 149.2 | 0 | 0 | 0 | 112.9 | ||||
| 46 | S | 31.5 | Very low | 31.2 | Very low | 115 Ų | 115 | 133 Ų | 133 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | cis | -161.6 | 162.6 | 28.6 | 45.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 47 | G | 28 | Very low | 30.9 | Very low | 74 Ų | 74 | 131.8 Ų | 131.8 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | trans | -53.5 | 134.9 | -160.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | N49 | G47-N49 PolarHBondContact O-N 3.05Š| ||
| 48 | I | 32.5 | Very low | 30.4 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -81.9 | 105.4 | 153.8 | -53.1 | 173 | 0 | 0 | 0 | 104.8 | I50 | I48-I50 HydrophobicContact CG2-CD1 4.47Å; I48-I50 HydrophobicContact CG2-CG1 3.84Å; I48-I50 PolarHBondContact O-N 3.43Å | ||
| 49 | N | 30.2 | Very low | 30.2 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | -66.8 | 84.3 | 167.5 | -91.2 | -35.3 | 0 | 0 | 0 | 108.1 | G47 | G47-N49 PolarHBondContact O-N 3.05Š| ||
| 50 | I | 37.6 | Very low | 30 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 61% | 0.61 | 77% | 0.769 | S | S | * | * | trans | -85.3 | 112 | 150.2 | -46.4 | 176.4 | 0 | 0 | 0 | 103.1 | I48 L52 | I48-I50 HydrophobicContact CG2-CD1 4.47Å; I48-I50 HydrophobicContact CG2-CG1 3.84Å; I48-I50 PolarHBondContact O-N 3.43Å; I50-L52 HydrophobicContact CB-CD1 3.59Å; I50-L52 HydrophobicContact CG2-CD1 3.39Å; I50-L52 PolarHBondContact O-N 2.74Å | ||
| 51 | D | 34.3 | Very low | 29.8 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 58% | 0.578 | 76% | 0.76 | S | S | * | * | trans | -66 | 77 | 175.6 | -167.4 | 9.3 | 0 | 0 | 0 | 108.3 | D53 | D51-D53 VanDerWaalsContact C-N 3.26Š| ||
| 52 | L | 35.6 | Very low | 29.5 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 59% | 0.586 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -78.2 | -10.9 | 178.5 | -109.1 | 91.7 | 0 | 0 | 0 | 111.9 | I50 K54 | I50-L52 HydrophobicContact CB-CD1 3.59Å; I50-L52 HydrophobicContact CG2-CD1 3.39Å; I50-L52 PolarHBondContact O-N 2.74Å; L52-K54 VanDerWaalsContact C-N 3.33Å; L52-K54 PolarHBondContact O-N 2.84Å |
| 53 | D | 32 | Very low | 29.4 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -87.1 | 2.8 | -173.5 | -74.4 | -28.8 | 0 | 0 | 0 | 114.1 | D51 | D51-D53 VanDerWaalsContact C-N 3.26Š|
| 54 | K | 35.7 | Very low | 29 | Very low | 173 Ų | 173 | 140 Ų | 140 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -93.9 | 5.4 | 167.7 | -85.8 | 179.4 | -179.5 | 165.3 | 0 | 115.1 | L52 | L52-K54 VanDerWaalsContact C-N 3.33Å; L52-K54 PolarHBondContact O-N 2.84Å |
| 55 | L | 31.7 | Very low | 29.2 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -105.5 | -3.6 | -177.6 | -111.4 | 149.7 | 0 | 0 | 0 | 114.9 | ||
| 56 | N | 26.6 | Very low | 29.4 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -113.5 | 25.3 | -175.1 | -72.2 | -18.2 | 0 | 0 | 0 | 114.9 | ||
| 57 | Q | 27.3 | Very low | 29.2 | Very low | 176 Ų | 176 | 141 Ų | 141 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -116 | 94.4 | 172.7 | -146 | 156.4 | 30.5 | 0 | 0 | 110.2 | ||
| 58 | T | 24.7 | Very low | 29.1 | Very low | 120 Ų | 120 | 144.8 Ų | 144.8 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | 52 | 81.3 | 161.1 | 43.6 | 0 | 0 | 0 | 0 | 116.4 | S60 | T58-S60 PolarHBondContact O-N 3.32Š| ||
| 59 | C | 25.6 | Very low | 28.9 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | -78.3 | 73.7 | 154.6 | -67.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 60 | S | 25 | Very low | 28.7 | Very low | 99 Ų | 99 | 150.1 Ų | 150.1 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | -69.5 | 127.5 | 155.4 | -66.5 | 0 | 0 | 0 | 0 | 107.7 | T58 N62 | T58-S60 PolarHBondContact O-N 3.32Å; S60-N62 PolarHBondContact O-N 3.11Å; S60-N62 VanDerWaalsContact O-N 3.11Å | ||
| 61 | V | 25.7 | Very low | 28.5 | Very low | 121 Ų | 121 | 150.9 Ų | 150.9 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -55.7 | 112.9 | 180 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | K63 | V61-K63 HydrophobicContact CG1-CG 4.49Š| ||
| 62 | N | 24.5 | Very low | 28.4 | Very low | 153 Ų | 153 | 148.6 Ų | 148.6 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -131.7 | 98.9 | 153.7 | -82.9 | -29.4 | 0 | 0 | 0 | 108 | S60 E64 | S60-N62 PolarHBondContact O-N 3.11Å; S60-N62 VanDerWaalsContact O-N 3.11Å; N62-E64 PolarHBondContact O-N 3.18Å; N62-E64 VanDerWaalsContact O-N 3.09Å | ||
| 63 | K | 25.8 | Very low | 28.2 | Very low | 167 Ų | 167 | 154.2 Ų | 154.2 | 73% | 0.726 | 78% | 0.783 | S | S | * | * | trans | -74.3 | 89.4 | 170.5 | -75.2 | 178.7 | -179.9 | 172.5 | 0 | 108.4 | V61 Y65 | V61-K63 HydrophobicContact CG1-CG 4.49Å; K63-Y65 HydrophobicContact CB-CE2 4.29Å | ||
| 64 | E | 22.3 | Very low | 28.5 | Very low | 184 Ų | 184 | 151.7 Ų | 151.7 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -110.1 | 104.9 | 168.5 | -149.4 | 169.8 | -163.8 | 0 | 0 | 109.8 | N62 | N62-E64 PolarHBondContact O-N 3.18Å; N62-E64 VanDerWaalsContact O-N 3.09Å | ||
| 65 | Y | 30.4 | Very low | 28.6 | Very low | 182 Ų | 182 | 147 Ų | 147 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | trans | -79.5 | 126.3 | 177.4 | -65.5 | -87.9 | 0 | 0 | 0 | 109.6 | K63 K67 | K63-Y65 HydrophobicContact CB-CE2 4.29Å; Y65-K67 PolarHBondContact O-N 2.89Å | ||
| 66 | P | 30.5 | Very low | 29.2 | Very low | 126 Ų | 126 | 149.2 Ų | 149.2 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -70.5 | 106.8 | 166.6 | 26.9 | -29.1 | 0 | 0 | 0 | 108.8 | ||||
| 67 | K | 27.1 | Very low | 30.3 | Very low | 186 Ų | 186 | 143.6 Ų | 143.6 | 81% | 0.809 | 74% | 0.737 | S | S | * | * | trans | -66.7 | 132.3 | 165.2 | -76.2 | 176.4 | 179.4 | 170.4 | 0 | 108.6 | Y65 | Y65-K67 PolarHBondContact O-N 2.89Š| ||
| 68 | N | 25.8 | Very low | 31.7 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 82% | 0.824 | 70% | 0.702 | S | S | * | * | trans | 89.1 | 81.7 | 164.1 | -54 | -32.9 | 0 | 0 | 0 | 118.7 | ||||
| 69 | K | 28.4 | Very low | 34.2 | Very low | 205 Ų | 205 | 136.9 Ų | 136.9 | 89% | 0.891 | 69% | 0.693 | S | S | * | * | -144.8 | 113.9 | 126.8 | -122.9 | 171.8 | -175.9 | 170.8 | 0 | 107.1 | L71 | K69-L71 VanDerWaalsContact C-N 3.27Å; K69-L71 PolarHBondContact O-N 3.29Å | |||
| 70 | K | 25.7 | Very low | 37.1 | Very low | 220 Ų | 220 | 134.3 Ų | 134.3 | 96% | 0.957 | 67% | 0.667 | S | S | * | * | trans | -60.5 | 89 | 177 | -76.6 | -177.9 | 178.2 | 177 | 0 | 109.1 | ||||
| 71 | L | 33.8 | Very low | 40.1 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 70% | 0.702 | 63% | 0.634 | S | S | * | * | trans | -75.2 | 119.9 | 164.1 | -167.8 | 66.9 | 0 | 0 | 0 | 105.8 | K69 R73 | K69-L71 VanDerWaalsContact C-N 3.27Å; K69-L71 PolarHBondContact O-N 3.29Å; L71-R73 PolarHBondContact O-N 2.86Å | ||
| 72 | G | 32.4 | Very low | 43.1 | Very low | 61 Ų | 61 | 124.1 Ų | 124.1 | 63% | 0.629 | 60% | 0.601 | S | S | * | * | trans | -45.8 | 129.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L74 | G72-L74 PolarHBondContact O-N 2.55Š| ||
| 73 | R | 31 | Very low | 46.3 | Very low | 230 Ų | 230 | 116.9 Ų | 116.9 | 87% | 0.868 | 56% | 0.562 | S | S | * | * | trans | -55.4 | 104 | 171.7 | -90.1 | -175.2 | 173.8 | -159.3 | -1.3 | 107.9 | L71 T75 | L71-R73 PolarHBondContact O-N 2.86Å; R73-T75 VanDerWaalsContact C-N 3.28Å; R73-T75 HydrophobicContact CB-CG2 4.33Å; R73-T75 PolarHBondContact O-N 3.2Å | ||
| 74 | L | 39.1 | Very low | 49.3 | Very low | 88 Ų | 88 | 110 Ų | 110 | 46% | 0.461 | 53% | 0.534 | S | S | . | . | trans | -76.9 | 86.9 | 167.2 | -71 | 169.5 | 0 | 0 | 0 | 107.2 | G72 H76 | G72-L74 PolarHBondContact O-N 2.55Å; L74-H76 PolarHBondContact O-N 3.22Å | ||
| 75 | T | 36.8 | Very low | 52.2 | Low | 75 Ų | 75 | 104.6 Ų | 104.6 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | trans | -73.3 | 117.5 | 173.9 | 41.9 | 0 | 0 | 0 | 0 | 109.2 | R73 G77 | R73-T75 VanDerWaalsContact C-N 3.28Å; R73-T75 HydrophobicContact CB-CG2 4.33Å; R73-T75 PolarHBondContact O-N 3.2Å; T75-G77 PolarHBondContact O-N 3.43Å | ||
| 76 | H | 44.4 | Very low | 55 | Low | 183 Ų | 183 | 96 Ų | 96 | 85% | 0.847 | 48% | 0.483 | S | S | * | . | S | Bend | trans | 70.9 | 10.6 | 159.3 | -59.1 | -71.1 | 0 | 0 | 0 | 122.1 | L74 | L74-H76 PolarHBondContact O-N 3.22Š|
| 77 | G | 50.1 | Low | 57.6 | Low | 26 Ų | 26 | 91.3 Ų | 91.3 | 27% | 0.268 | 45% | 0.452 | S | S | . | . | trans | -138 | 5.3 | -169 | 0 | 0 | 0 | 0 | 0 | 121.2 | T75 G150 | T75-G77 PolarHBondContact O-N 3.43Å; G77-G150 PolarHBondContact O-N 3.49Å | ||
| 78 | T | 57.3 | Low | 60.4 | Low | 14 Ų | 14 | 86.4 Ų | 86.4 | 9% | 0.086 | 44% | 0.441 | C | S | . | . | trans | -149.3 | 106.6 | -172.2 | 38 | 0 | 0 | 0 | 0 | 115.7 | V148 V149 | T78-V148 VanDerWaalsContact CG2-C 3.45Å; T78-V148 WeakPolarHBondContact CG2-O 3.22Å; T78-V149 HydrophobicContact CG2-CB 4.28Å; T78-V149 HydrophobicContact CG2-CG2 4.24Å | ||
| 79 | R | 76.6 | Confident | 63.1 | Low | 142 Ų | 142 | 81.7 Ų | 81.7 | 54% | 0.536 | 42% | 0.419 | S | S | . | . | trans | -116.2 | 30.4 | 162.9 | -50.6 | -177.3 | -163.8 | 144.3 | 6.8 | 110.9 | D119 F120 S121 | R79-D119 CarbonylContact O-C 3.54Å; R79-D119 WeakPolarHBondContact O-CA 3.37Å; R79-F120 HydrophobicContact CB-CB 4.24Å; R79-F120 WeakPolarHBondContact CB-O 3.45Å; R79-F120 WeakPolarHBondContact CD-O 3.36Å; R79-F120 PolarHBondContact O-N 3.09Å; R79-S121 WeakPolarHBondContact CD-O 3.47Å; R79-S121 PolarHBondContact NE-O 2.85Å; R79-S121 PolarHBondContact NH1-O 3.15Å | ||
| 80 | K | 85.8 | Confident | 66 | Low | 70 Ų | 70 | 72 Ų | 72 | 30% | 0.304 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 137.4 | -177.1 | -57.4 | -166.4 | 172.2 | -124.2 | 0 | 110.4 | L118 D119 V148 | K80-L118 CarbonylContact C-O 3.48Å; K80-L118 VanDerWaalsContact CA-O 3.22Å; K80-L118 WeakPolarHBondContact CA-O 3.27Å; K80-D119 WeakPolarHBondContact CD-OD1 3.44Å; K80-D119 VanDerWaalsContact CE-OD1 3.27Å; K80-D119 WeakPolarHBondContact CE-OD1 3.5Å; K80-D119 HydrophobicContact CG-CB 4.45Å; K80-D119 WeakPolarHBondContact CG-OD1 3.43Å; K80-D119 IonicContact NZ-OD1 2.94Å; K80-D119 PolarHBondContact NZ-OD1 2.87Å; K80-D119 IonicContact NZ-OD2 2.74Å; K80-D119 PolarHBondContact NZ-OD2 2.99Å; K80-V148 HydrophobicContact CB-CB 3.78Å; K80-V148 HydrophobicContact CB-CG1 4.15Å; K80-V148 PolarHBondContact O-N 2.88Å |
| 81 | L | 88.8 | Confident | 69.1 | Low | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 132.3 | -178 | -161.9 | 98.5 | 0 | 0 | 0 | 110.2 | L83 L117 L118 F120 Y126 V130 L133 Y145 | L81-L83 HydrophobicContact CD2-CD2 3.74Å; L81-L83 HydrophobicContact CD2-CG 4.37Å; L81-L117 WeakPolarHBondContact O-CA 3.4Å; L81-L118 HydrophobicContact CB-CB 4.31Å; L81-L118 HydrophobicContact CB-CD1 4.44Å; L81-L118 HydrophobicContact CD2-CD1 3.96Å; L81-L118 PolarHBondContact N-O 2.95Å; L81-L118 PolarHBondContact O-N 3.04Å; L81-F120 HydrophobicContact CB-CE2 4.04Å; L81-Y126 HydrophobicContact CB-CE2 4.22Å; L81-Y126 HydrophobicContact CD1-CD2 4.38Å; L81-Y126 HydrophobicContact CD1-CE2 3.54Å; L81-V130 HydrophobicContact CD1-CG2 3.66Å; L81-L133 HydrophobicContact CD2-CD1 3.16Å; L81-Y145 HydrophobicContact CD1-CD2 4.28Å |
| 82 | L | 89.3 | Confident | 71.8 | Confident | 6 Ų | 6 | 63.3 Ų | 63.3 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 119.5 | 172.3 | -177.8 | 72.8 | 0 | 0 | 0 | 109.5 | T84 A116 L117 Y145 Q146 V148 F203 I205 | L82-T84 HydrophobicContact CD2-CG2 3.53Å; L82-T84 HydrophobicContact CG-CG2 3.73Å; L82-A116 CarbonylContact C-O 3.21Å; L82-A116 WeakPolarHBondContact CA-O 3.45Å; L82-L117 HydrophobicContact CB-CD1 4.33Å; L82-L117 HydrophobicContact CD1-CD1 4.2Å; L82-Y145 CarbonylContact O-C 3.53Å; L82-Y145 VanDerWaalsContact O-CA 3.23Å; L82-Y145 WeakPolarHBondContact O-CA 3.48Å; L82-Q146 PolarHBondContact N-O 3.08Å; L82-Q146 PolarHBondContact O-N 3.42Å; L82-V148 HydrophobicContact CB-CG2 3.57Å; L82-F203 HydrophobicContact CD1-CB 4.49Å; L82-F203 HydrophobicContact CD1-CD1 4.09Å; L82-F203 HydrophobicContact CD1-CG 4.43Å; L82-F203 HydrophobicContact CD2-CB 4.21Å; L82-F203 HydrophobicContact CD2-CG 4.3Å; L82-I205 HydrophobicContact CB-CD1 4.23Å; L82-I205 HydrophobicContact CD2-CD1 3.32Å; L82-I205 HydrophobicContact CD2-CG1 4.49Å; L82-I205 HydrophobicContact CG-CD1 4.39Å |
| 83 | L | 90.5 | Very high | 74.5 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 134 | 163.7 | -56.9 | -178.6 | 0 | 0 | 0 | 109.6 | L81 L86 L95 F99 H115 A116 L118 L133 N144 Y145 | L81-L83 HydrophobicContact CD2-CD2 3.74Å; L81-L83 HydrophobicContact CD2-CG 4.37Å; L83-L86 HydrophobicContact CB-CD1 3.8Å; L83-L86 HydrophobicContact CB-CD2 4.24Å; L83-L86 HydrophobicContact CB-CG 4.1Å; L83-L86 HydrophobicContact CD1-CD1 4.2Å; L83-L86 HydrophobicContact CD1-CD2 4.39Å; L83-L95 HydrophobicContact CD1-CD2 3.83Å; L83-F99 HydrophobicContact CD1-CE2 4.19Å; L83-H115 CarbonylContact O-C 3.53Å; L83-H115 WeakPolarHBondContact O-CA 3.13Å; L83-A116 HydrophobicContact CB-CB 4.1Å; L83-A116 HydrophobicContact CD1-CB 4.31Å; L83-A116 HydrophobicContact CG-CB 4.49Å; L83-A116 PolarHBondContact N-O 3.37Å; L83-A116 PolarHBondContact O-N 3.14Å; L83-L118 HydrophobicContact CD1-CD1 3.67Å; L83-L118 HydrophobicContact CD2-CD1 4.47Å; L83-L118 HydrophobicContact CG-CD1 3.8Å; L83-L133 HydrophobicContact CD1-CD2 4.41Å; L83-L133 HydrophobicContact CD2-CD1 3.72Å; L83-L133 HydrophobicContact CD2-CD2 3.64Å; L83-L133 HydrophobicContact CD2-CG 4.36Å; L83-N144 CarbonylContact C-O 3.56Å; L83-N144 WeakPolarHBondContact CA-O 3.21Å; L83-Y145 VanDerWaalsContact CD2-CB 3.47Å |
| 84 | T | 88.4 | Confident | 77.4 | Confident | 22 Ų | 22 | 57 Ų | 57 | 14% | 0.135 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 155.5 | 178.9 | 60.9 | 0 | 0 | 0 | 0 | 111.1 | L82 L86 H115 N144 | L82-T84 HydrophobicContact CD2-CG2 3.53Å; L82-T84 HydrophobicContact CG-CG2 3.73Å; T84-L86 VanDerWaalsContact C-N 3.27Å; T84-L86 PolarHBondContact O-N 2.92Å; T84-H115 WeakPolarHBondContact CA-ND1 3.5Å; T84-H115 WeakPolarHBondContact CB-ND1 3.25Å; T84-N144 PolarHBondContact N-O 3.13Å; T84-N144 PolarHBondContact O-N 3.14Å; T84-N144 WeakPolarHBondContact OG1-CB 3.36Å; T84-N144 PolarHBondContact OG1-O 3.43Å |
| 85 | S | 84.5 | Confident | 79.9 | Confident | 72 Ų | 72 | 52.8 Ų | 52.8 | 50% | 0.503 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 60.2 | 35.9 | 179.9 | -52.7 | 0 | 0 | 0 | 0 | 113.2 | K114 | S85-K114 PolarHBondContact N-O 3.16Å |
| 86 | L | 87.9 | Confident | 82.5 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 139.4 | 174 | -65.3 | 172.4 | 0 | 0 | 0 | 109.8 | L83 T84 V90 L95 L107 K114 A116 F138 P143 | L83-L86 HydrophobicContact CB-CD1 3.8Å; L83-L86 HydrophobicContact CB-CD2 4.24Å; L83-L86 HydrophobicContact CB-CG 4.1Å; L83-L86 HydrophobicContact CD1-CD1 4.2Å; L83-L86 HydrophobicContact CD1-CD2 4.39Å; T84-L86 VanDerWaalsContact C-N 3.27Å; T84-L86 PolarHBondContact O-N 2.92Å; L86-V90 HydrophobicContact CB-CB 4.36Å; L86-V90 HydrophobicContact CD1-CG1 4.3Å; L86-L95 HydrophobicContact CD1-CD1 4.17Å; L86-L107 HydrophobicContact CD1-CD1 4.43Å; L86-K114 HydrophobicContact CB-CB 4Å; L86-K114 WeakPolarHBondContact CB-O 3.33Å; L86-K114 PolarHBondContact N-O 2.74Å; L86-K114 PolarHBondContact O-N 3.33Å; L86-A116 HydrophobicContact CD1-CB 3.81Å; L86-F138 HydrophobicContact CD2-CD2 3.81Å; L86-F138 HydrophobicContact CD2-CE2 3.82Å; L86-F138 HydrophobicContact CD2-CG 4.43Å; L86-F138 HydrophobicContact CD2-CZ 4.46Å; L86-P143 HydrophobicContact CD2-CB 4.05Å |
| 87 | P | 85.9 | Confident | 84.7 | Confident | 26 Ų | 26 | 50.2 Ų | 50.2 | 17% | 0.169 | 27% | 0.273 | C | S | . | . | trans | -55.6 | 153.5 | 172.9 | -25.7 | 33.5 | 0 | 0 | 0 | 112.9 | S89 V90 F138 D139 | P87-S89 WeakPolarHBondContact CB-OG 3.46Å; P87-S89 PolarHBondContact O-N 3.13Å; P87-V90 HydrophobicContact CB-CG2 4.26Å; P87-V90 HydrophobicContact CG-CG2 4.31Å; P87-V90 PolarHBondContact O-N 2.72Å; P87-V90 VanDerWaalsContact O-N 3.09Å; P87-F138 HydrophobicContact CG-CB 3.89Å; P87-D139 HydrophobicContact CG-CB 4.27Å | ||
| 88 | C | 85.1 | Confident | 86.6 | Confident | 84 Ų | 84 | 50.7 Ų | 50.7 | 57% | 0.568 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -20.8 | 178.2 | -64.3 | 0 | 0 | 0 | 0 | 113.3 | V90 K114 | C88-V90 VanDerWaalsContact C-N 3.34Å; C88-K114 VanDerWaalsContact O-CE 3.26Å; C88-K114 WeakPolarHBondContact O-CE 3.24Å; C88-K114 PolarHBondContact O-NZ 2.8Å |
| 89 | S | 84.4 | Confident | 88.3 | Confident | 54 Ų | 54 | 50.2 Ų | 50.2 | 38% | 0.378 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -29.3 | 174.1 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | P87 N91 D139 | P87-S89 WeakPolarHBondContact CB-OG 3.46Å; P87-S89 PolarHBondContact O-N 3.13Å; S89-N91 PolarHBondContact O-N 2.77Å; S89-N91 PolarHBondContact O-OD1 3.09Å; S89-D139 WeakPolarHBondContact CB-OD2 3.41Å; S89-D139 PolarHBondContact OG-OD2 2.63Å |
| 90 | V | 88.6 | Confident | 88.9 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | trans | -70.4 | 116.9 | -175.5 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | L86 P87 C88 L95 K114 F138 | L86-V90 HydrophobicContact CB-CB 4.36Å; L86-V90 HydrophobicContact CD1-CG1 4.3Å; P87-V90 HydrophobicContact CB-CG2 4.26Å; P87-V90 HydrophobicContact CG-CG2 4.31Å; P87-V90 PolarHBondContact O-N 2.72Å; P87-V90 VanDerWaalsContact O-N 3.09Å; C88-V90 VanDerWaalsContact C-N 3.34Å; V90-L95 HydrophobicContact CG1-CD1 4.05Å; V90-L95 HydrophobicContact CG1-CD2 3.91Å; V90-L95 HydrophobicContact CG1-CG 3.7Å; V90-K114 WeakPolarHBondContact O-CD 3.29Å; V90-K114 PolarHBondContact O-NZ 3.37Å; V90-F138 HydrophobicContact CG1-CD1 4.38Å; V90-F138 HydrophobicContact CG1-CE1 4.24Å; V90-F138 HydrophobicContact CG2-CB 3.96Å; V90-F138 HydrophobicContact CG2-CD1 3.52Å; V90-F138 HydrophobicContact CG2-CE1 4.2Å; V90-F138 HydrophobicContact CG2-CG 3.9Å | ||
| 91 | N | 90 | Very high | 89.1 | Confident | 77 Ų | 77 | 46.4 Ų | 46.4 | 41% | 0.412 | 27% | 0.268 | S | S | . | . | trans | -112.2 | 171.3 | 179.4 | -65.1 | -22.5 | 0 | 0 | 0 | 110.7 | S89 T93 I94 L95 K114 | S89-N91 PolarHBondContact O-N 2.77Å; S89-N91 PolarHBondContact O-OD1 3.09Å; N91-T93 VanDerWaalsContact C-N 3.26Å; N91-T93 PolarHBondContact O-N 3.33Å; N91-I94 PolarHBondContact O-N 3.27Å; N91-L95 PolarHBondContact O-N 3.46Å; N91-K114 PolarHBondContact OD1-NZ 3.41Å | ||
| 92 | Q | 90.6 | Very high | 89.1 | Confident | 94 Ų | 94 | 46.8 Ų | 46.8 | 44% | 0.439 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.4 | -34.3 | -179.4 | -177.5 | 162.1 | 18.6 | 0 | 0 | 112.6 | L95 R96 L105 | Q92-L95 PolarHBondContact O-N 3.4Å; Q92-R96 HydrophobicContact CG-CG 4.41Å; Q92-R96 VanDerWaalsContact O-CG 3.23Å; Q92-R96 WeakPolarHBondContact O-CG 3.29Å; Q92-R96 PolarHBondContact O-N 2.79Å; Q92-L105 HydrophobicContact CB-CD2 4.28Å; Q92-L105 HydrophobicContact CG-CD1 4.21Å; Q92-L105 HydrophobicContact CG-CD2 3.69Å; Q92-L105 HydrophobicContact CG-CG 4.4Å; Q92-L105 PolarHBondContact NE2-O 3.39Å |
| 93 | T | 90.2 | Very high | 89.1 | Confident | 93 Ų | 93 | 50.1 Ų | 50.1 | 57% | 0.571 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.6 | -54 | 175.8 | 43.3 | 0 | 0 | 0 | 0 | 111.8 | N91 L95 R96 D97 | N91-T93 VanDerWaalsContact C-N 3.26Å; N91-T93 PolarHBondContact O-N 3.33Å; T93-L95 VanDerWaalsContact C-N 3.26Å; T93-L95 PolarHBondContact O-N 2.91Å; T93-R96 WeakPolarHBondContact O-CA 3.26Å; T93-R96 WeakPolarHBondContact O-CB 3.09Å; T93-R96 PolarHBondContact O-N 3.24Å; T93-D97 VanDerWaalsContact O-CG 3.24Å; T93-D97 PolarHBondContact O-N 3.36Å |
| 94 | I | 91.2 | Very high | 88.9 | Confident | 65 Ų | 65 | 55.8 Ų | 55.8 | 33% | 0.333 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -54 | -44.4 | 178.5 | -61.4 | 171.6 | 0 | 0 | 0 | 111.2 | N91 D97 I98 F138 | N91-I94 PolarHBondContact O-N 3.27Å; I94-D97 PolarHBondContact O-N 3.2Å; I94-I98 HydrophobicContact CG2-CD1 3.87Å; I94-I98 WeakPolarHBondContact O-CD1 3.44Å; I94-I98 VanDerWaalsContact O-CG1 3.24Å; I94-I98 WeakPolarHBondContact O-CG1 3.31Å; I94-I98 PolarHBondContact O-N 3.09Å; I94-I98 VanDerWaalsContact O-N 3.09Å; I94-F138 HydrophobicContact CG2-CE1 4.29Å |
| 95 | L | 91.8 | Very high | 89 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.1 | -30.9 | 178.8 | -69.7 | 174.9 | 0 | 0 | 0 | 113.2 | L83 L86 V90 N91 Q92 T93 F99 L105 L107 A116 F138 | L83-L95 HydrophobicContact CD1-CD2 3.83Å; L86-L95 HydrophobicContact CD1-CD1 4.17Å; V90-L95 HydrophobicContact CG1-CD1 4.05Å; V90-L95 HydrophobicContact CG1-CD2 3.91Å; V90-L95 HydrophobicContact CG1-CG 3.7Å; N91-L95 PolarHBondContact O-N 3.46Å; Q92-L95 PolarHBondContact O-N 3.4Å; T93-L95 VanDerWaalsContact C-N 3.26Å; T93-L95 PolarHBondContact O-N 2.91Å; L95-F99 HydrophobicContact CD2-CD2 4.42Å; L95-F99 HydrophobicContact CD2-CE2 4.11Å; L95-F99 WeakPolarHBondContact O-CB 3.4Å; L95-F99 WeakPolarHBondContact O-CD2 3.38Å; L95-F99 PolarHBondContact O-N 2.62Å; L95-L105 HydrophobicContact CB-CD1 3.55Å; L95-L105 HydrophobicContact CD1-CD1 4.26Å; L95-L105 HydrophobicContact CD1-CD2 4.48Å; L95-L107 HydrophobicContact CD1-CD1 3.87Å; L95-A116 HydrophobicContact CD1-CB 3.58Å; L95-F138 HydrophobicContact CD2-CE1 4.17Å; L95-F138 HydrophobicContact CD2-CZ 3.8Å |
| 96 | R | 92 | Very high | 89.1 | Confident | 77 Ų | 77 | 56.2 Ų | 56.2 | 29% | 0.291 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.1 | -37.9 | 173.8 | -74.1 | -70.2 | -169.5 | -175.5 | 4.1 | 111.5 | Q92 T93 I98 F99 P100 V102 I103 L105 | Q92-R96 HydrophobicContact CG-CG 4.41Å; Q92-R96 VanDerWaalsContact O-CG 3.23Å; Q92-R96 WeakPolarHBondContact O-CG 3.29Å; Q92-R96 PolarHBondContact O-N 2.79Å; T93-R96 WeakPolarHBondContact O-CA 3.26Å; T93-R96 WeakPolarHBondContact O-CB 3.09Å; T93-R96 PolarHBondContact O-N 3.24Å; R96-I98 VanDerWaalsContact C-N 3.33Å; R96-F99 CarbonylContact O-C 3.46Å; R96-F99 PolarHBondContact O-N 3.03Å; R96-P100 VanDerWaalsContact O-CA 3.29Å; R96-P100 WeakPolarHBondContact O-CA 3.46Å; R96-P100 VanDerWaalsContact O-N 3.15Å; R96-V102 PolarHBondContact NH1-O 3.14Å; R96-I103 PolarHBondContact NH1-O 3.47Å; R96-I103 PolarHBondContact NH2-O 3.38Å; R96-L105 HydrophobicContact CG-CD1 4.16Å |
| 97 | D | 90.1 | Very high | 89.1 | Confident | 126 Ų | 126 | 58 Ų | 58 | 67% | 0.674 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66.2 | -39.6 | 177.4 | -59.1 | -24.4 | 0 | 0 | 0 | 110.8 | T93 I94 | T93-D97 VanDerWaalsContact O-CG 3.24Å; T93-D97 PolarHBondContact O-N 3.36Å; I94-D97 PolarHBondContact O-N 3.2Å |
| 98 | I | 90 | Very high | 89 | Confident | 36 Ų | 36 | 62.3 Ų | 62.3 | 19% | 0.185 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72.4 | -42.5 | 176.8 | -65.8 | 167.4 | 0 | 0 | 0 | 111.9 | I94 R96 P100 R132 I136 F138 | I94-I98 HydrophobicContact CG2-CD1 3.87Å; I94-I98 WeakPolarHBondContact O-CD1 3.44Å; I94-I98 VanDerWaalsContact O-CG1 3.24Å; I94-I98 WeakPolarHBondContact O-CG1 3.31Å; I94-I98 PolarHBondContact O-N 3.09Å; I94-I98 VanDerWaalsContact O-N 3.09Å; R96-I98 VanDerWaalsContact C-N 3.33Å; I98-P100 VanDerWaalsContact C-CD 3.43Å; I98-P100 VanDerWaalsContact O-CD 3.29Å; I98-P100 WeakPolarHBondContact O-CD 3.4Å; I98-R132 PolarHBondContact O-NH1 3.4Å; I98-I136 HydrophobicContact CG2-CD1 3.33Å; I98-F138 HydrophobicContact CD1-CE1 3.4Å; I98-F138 HydrophobicContact CD1-CZ 3.7Å |
| 99 | F | 91.9 | Very high | 88.9 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 2% | 0.022 | 33% | 0.334 | C | S | . | . | trans | -120.2 | 73.9 | -176.5 | -50.6 | -68.8 | 0 | 0 | 0 | 110.9 | L83 L95 R96 S101 V102 L118 A129 R132 L133 | L83-F99 HydrophobicContact CD1-CE2 4.19Å; L95-F99 HydrophobicContact CD2-CD2 4.42Å; L95-F99 HydrophobicContact CD2-CE2 4.11Å; L95-F99 WeakPolarHBondContact O-CB 3.4Å; L95-F99 WeakPolarHBondContact O-CD2 3.38Å; L95-F99 PolarHBondContact O-N 2.62Å; R96-F99 CarbonylContact O-C 3.46Å; R96-F99 PolarHBondContact O-N 3.03Å; F99-S101 VanDerWaalsContact C-N 3.29Å; F99-S101 PolarHBondContact O-N 2.88Å; F99-V102 HydrophobicContact CB-CG2 3.47Å; F99-V102 VanDerWaalsContact CB-CG2 3.47Å; F99-V102 WeakPolarHBondContact O-CB 3.49Å; F99-V102 VanDerWaalsContact O-CG2 3.27Å; F99-V102 WeakPolarHBondContact O-CG2 3.48Å; F99-V102 PolarHBondContact O-N 3.49Å; F99-L118 HydrophobicContact CD2-CD1 4.23Å; F99-L118 HydrophobicContact CD2-CD2 4.34Å; F99-L118 HydrophobicContact CE2-CD1 4.4Å; F99-A129 HydrophobicContact CD1-CB 3.65Å; F99-A129 HydrophobicContact CE1-CB 3.97Å; F99-R132 HydrophobicContact CE1-CB 4.14Å; F99-L133 HydrophobicContact CE1-CD1 4.3Å; F99-L133 HydrophobicContact CE1-CD2 4.36Å; F99-L133 HydrophobicContact CE1-CG 3.88Å; F99-L133 HydrophobicContact CE2-CD2 4.25Å; F99-L133 HydrophobicContact CZ-CD1 4.06Å; F99-L133 HydrophobicContact CZ-CD2 3.5Å; F99-L133 VanDerWaalsContact CZ-CD2 3.5Å; F99-L133 HydrophobicContact CZ-CG 3.51Å | ||
| 100 | P | 89.9 | Confident | 88.6 | Confident | 84 Ų | 84 | 65.1 Ų | 65.1 | 55% | 0.545 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -32.3 | -176.4 | 24.4 | -33.5 | 0 | 0 | 0 | 112.5 | R96 I98 V102 | R96-P100 VanDerWaalsContact O-CA 3.29Å; R96-P100 WeakPolarHBondContact O-CA 3.46Å; R96-P100 VanDerWaalsContact O-N 3.15Å; I98-P100 VanDerWaalsContact C-CD 3.43Å; I98-P100 VanDerWaalsContact O-CD 3.29Å; I98-P100 WeakPolarHBondContact O-CD 3.4Å; P100-V102 PolarHBondContact O-N 3.19Å; P100-V102 VanDerWaalsContact O-N 3.12Å |
| 101 | S | 90 | Very high | 87.8 | Confident | 47 Ų | 47 | 70.2 Ų | 70.2 | 33% | 0.329 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 2.2 | -178.7 | -46.2 | 0 | 0 | 0 | 0 | 115.2 | F99 D125 | F99-S101 VanDerWaalsContact C-N 3.29Å; F99-S101 PolarHBondContact O-N 2.88Å; S101-D125 WeakPolarHBondContact CB-OD1 3.5Å; S101-D125 PolarHBondContact OG-OD1 3.34Å |
| 102 | V | 89.8 | Confident | 87 | Confident | 9 Ų | 9 | 69.8 Ų | 69.8 | 6% | 0.055 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 134.8 | 179.4 | 173.3 | 0 | 0 | 0 | 0 | 109.7 | R96 F99 P100 H104 L105 L118 F120 | R96-V102 PolarHBondContact NH1-O 3.14Å; F99-V102 HydrophobicContact CB-CG2 3.47Å; F99-V102 VanDerWaalsContact CB-CG2 3.47Å; F99-V102 WeakPolarHBondContact O-CB 3.49Å; F99-V102 VanDerWaalsContact O-CG2 3.27Å; F99-V102 WeakPolarHBondContact O-CG2 3.48Å; F99-V102 PolarHBondContact O-N 3.49Å; P100-V102 PolarHBondContact O-N 3.19Å; P100-V102 VanDerWaalsContact O-N 3.12Å; V102-H104 WeakPolarHBondContact CG1-O 3.32Å; V102-L105 HydrophobicContact CG1-CB 4.01Å; V102-L118 HydrophobicContact CB-CD2 4.5Å; V102-L118 HydrophobicContact CG1-CB 4.46Å; V102-L118 HydrophobicContact CG1-CD2 4.06Å; V102-L118 HydrophobicContact CG2-CB 4.27Å; V102-L118 HydrophobicContact CG2-CD2 3.69Å; V102-F120 HydrophobicContact CB-CE1 4.44Å; V102-F120 HydrophobicContact CG2-CD1 4.08Å; V102-F120 HydrophobicContact CG2-CE1 3.38Å; V102-F120 HydrophobicContact CG2-CZ 3.73Å |
| 103 | I | 88.2 | Confident | 86.7 | Confident | 76 Ų | 76 | 66.7 Ų | 66.7 | 39% | 0.39 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -62.1 | 170.3 | -43 | 174.4 | 0 | 0 | 0 | 108.9 | R96 D119 S121 | R96-I103 PolarHBondContact NH1-O 3.47Å; R96-I103 PolarHBondContact NH2-O 3.38Å; I103-D119 PolarHBondContact N-O 2.85Å; I103-S121 WeakPolarHBondContact CD1-OG 3.4Å; I103-S121 WeakPolarHBondContact CG1-OG 3.49Å |
| 104 | H | 86.1 | Confident | 86.6 | Confident | 120 Ų | 120 | 63.1 Ų | 63.1 | 56% | 0.556 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 125.3 | -176.2 | -61.3 | -74.3 | 0 | 0 | 0 | 110.3 | V102 D119 | V102-H104 WeakPolarHBondContact CG1-O 3.32Å; H104-D119 HydrophobicContact CB-CB 3.98Å; H104-D119 PolarHBondContact O-N 3.44Å |
| 105 | L | 90.1 | Very high | 86.5 | Confident | 16 Ų | 16 | 61.5 Ų | 61.5 | 8% | 0.084 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 118.8 | 174 | -170.3 | 162.4 | 0 | 0 | 0 | 108.6 | Q92 L95 R96 V102 L107 L117 L118 | Q92-L105 HydrophobicContact CB-CD2 4.28Å; Q92-L105 HydrophobicContact CG-CD1 4.21Å; Q92-L105 HydrophobicContact CG-CD2 3.69Å; Q92-L105 HydrophobicContact CG-CG 4.4Å; Q92-L105 PolarHBondContact NE2-O 3.39Å; L95-L105 HydrophobicContact CB-CD1 3.55Å; L95-L105 HydrophobicContact CD1-CD1 4.26Å; L95-L105 HydrophobicContact CD1-CD2 4.48Å; R96-L105 HydrophobicContact CG-CD1 4.16Å; V102-L105 HydrophobicContact CG1-CB 4.01Å; L105-L107 HydrophobicContact CD2-CB 4.15Å; L105-L117 WeakPolarHBondContact CA-O 3.29Å; L105-L118 HydrophobicContact CD1-CD2 3.82Å; L105-L118 HydrophobicContact CG-CD2 3.89Å |
| 106 | N | 86.7 | Confident | 86.5 | Confident | 86 Ų | 86 | 61.5 Ų | 61.5 | 46% | 0.46 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 108.9 | 176 | -163.2 | -43.4 | 0 | 0 | 0 | 110.3 | A116 L117 | N106-A116 CarbonylContact O-C 3.58Å; N106-A116 WeakPolarHBondContact O-CA 3.34Å; N106-L117 HydrophobicContact CB-CB 4.34Å; N106-L117 PolarHBondContact N-O 2.74Å; N106-L117 PolarHBondContact O-N 2.93Å |
| 107 | L | 88.8 | Confident | 86.4 | Confident | 41 Ų | 41 | 59.7 Ų | 59.7 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 125.9 | 177.8 | -164.7 | 72.5 | 0 | 0 | 0 | 109.8 | L86 L95 L105 K114 H115 A116 | L86-L107 HydrophobicContact CD1-CD1 4.43Å; L95-L107 HydrophobicContact CD1-CD1 3.87Å; L105-L107 HydrophobicContact CD2-CB 4.15Å; L107-K114 HydrophobicContact CD1-CB 4.32Å; L107-K114 HydrophobicContact CD2-CD 4.15Å; L107-H115 CarbonylContact C-O 3.51Å; L107-A116 HydrophobicContact CD1-CB 3.78Å |
| 108 | R | 84.4 | Confident | 86.4 | Confident | 115 Ų | 115 | 53.7 Ų | 53.7 | 43% | 0.434 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 125.5 | 176.7 | -77.1 | -175.5 | 169.6 | -179.7 | -1.4 | 110.9 | K114 H115 | R108-K114 WeakPolarHBondContact O-CA 3.43Å; R108-H115 PolarHBondContact N-O 2.98Å; R108-H115 PolarHBondContact O-N 3.37Å |
| 109 | N | 82.4 | Confident | 86.4 | Confident | 118 Ų | 118 | 53 Ų | 53 | 63% | 0.631 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 127.2 | 173.3 | -64.6 | -8.7 | 0 | 0 | 0 | 109.8 | K114 | N109-K114 VanDerWaalsContact OD1-CE 3.29Å; N109-K114 WeakPolarHBondContact OD1-CE 3.45Å; N109-K114 WeakPolarHBondContact OD1-CG 3.43Å |
| 110 | T | 77.4 | Confident | 86.2 | Confident | 80 Ų | 80 | 53.1 Ų | 53.1 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 160.2 | 167.5 | -50.3 | 0 | 0 | 0 | 0 | 107.9 | G112 S113 H115 | T110-G112 PolarHBondContact O-N 2.94Å; T110-S113 CarbonylContact C-O 3.43Å; T110-S113 WeakPolarHBondContact CA-O 3.44Å; T110-S113 PolarHBondContact N-O 3.44Å; T110-S113 PolarHBondContact O-N 3.08Å; T110-S113 VanDerWaalsContact O-N 3.13Å; T110-H115 PolarHBondContact OG1-CD2 3.39Å; T110-H115 VanDerWaalsContact OG1-CD2 3.28Å; T110-H115 PolarHBondContact OG1-NE2 2.89Å |
| 111 | A | 72.8 | Confident | 86.1 | Confident | 109 Ų | 109 | 52.4 Ų | 52.4 | 90% | 0.901 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 96.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 112 | G | 73.6 | Confident | 85.9 | Confident | 68 Ų | 68 | 52.1 Ų | 52.1 | 70% | 0.701 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.9 | -5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | T110 | T110-G112 PolarHBondContact O-N 2.94Š|
| 113 | S | 83.2 | Confident | 85.7 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 20% | 0.203 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 152.5 | 178.4 | 67.2 | 0 | 0 | 0 | 0 | 112.8 | T110 | T110-S113 CarbonylContact C-O 3.43Å; T110-S113 WeakPolarHBondContact CA-O 3.44Å; T110-S113 PolarHBondContact N-O 3.44Å; T110-S113 PolarHBondContact O-N 3.08Å; T110-S113 VanDerWaalsContact O-N 3.13Å |
| 114 | K | 87.9 | Confident | 85.7 | Confident | 18 Ų | 18 | 57 Ų | 57 | 8% | 0.078 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 149.6 | 173.4 | -62.6 | -177.9 | 168.7 | 170 | 0 | 111.1 | S85 L86 C88 V90 N91 L107 R108 N109 | S85-K114 PolarHBondContact N-O 3.16Å; L86-K114 HydrophobicContact CB-CB 4Å; L86-K114 WeakPolarHBondContact CB-O 3.33Å; L86-K114 PolarHBondContact N-O 2.74Å; L86-K114 PolarHBondContact O-N 3.33Å; C88-K114 VanDerWaalsContact O-CE 3.26Å; C88-K114 WeakPolarHBondContact O-CE 3.24Å; C88-K114 PolarHBondContact O-NZ 2.8Å; V90-K114 WeakPolarHBondContact O-CD 3.29Å; V90-K114 PolarHBondContact O-NZ 3.37Å; N91-K114 PolarHBondContact OD1-NZ 3.41Å; L107-K114 HydrophobicContact CD1-CB 4.32Å; L107-K114 HydrophobicContact CD2-CD 4.15Å; R108-K114 WeakPolarHBondContact O-CA 3.43Å; N109-K114 VanDerWaalsContact OD1-CE 3.29Å; N109-K114 WeakPolarHBondContact OD1-CE 3.45Å; N109-K114 WeakPolarHBondContact OD1-CG 3.43Å |
| 115 | H | 89.9 | Confident | 86 | Confident | 32 Ų | 32 | 53.5 Ų | 53.5 | 15% | 0.148 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 136.9 | 171.8 | -53.4 | -76.6 | 0 | 0 | 0 | 108.6 | L83 T84 L107 R108 T110 | L83-H115 CarbonylContact O-C 3.53Å; L83-H115 WeakPolarHBondContact O-CA 3.13Å; T84-H115 WeakPolarHBondContact CA-ND1 3.5Å; T84-H115 WeakPolarHBondContact CB-ND1 3.25Å; L107-H115 CarbonylContact C-O 3.51Å; R108-H115 PolarHBondContact N-O 2.98Å; R108-H115 PolarHBondContact O-N 3.37Å; T110-H115 PolarHBondContact OG1-CD2 3.39Å; T110-H115 VanDerWaalsContact OG1-CD2 3.28Å; T110-H115 PolarHBondContact OG1-NE2 2.89Å |
| 116 | A | 91.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 131.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.2 | L82 L83 L86 L95 N106 L107 | L82-A116 CarbonylContact C-O 3.21Å; L82-A116 WeakPolarHBondContact CA-O 3.45Å; L83-A116 HydrophobicContact CB-CB 4.1Å; L83-A116 HydrophobicContact CD1-CB 4.31Å; L83-A116 HydrophobicContact CG-CB 4.49Å; L83-A116 PolarHBondContact N-O 3.37Å; L83-A116 PolarHBondContact O-N 3.14Å; L86-A116 HydrophobicContact CD1-CB 3.81Å; L95-A116 HydrophobicContact CD1-CB 3.58Å; N106-A116 CarbonylContact O-C 3.58Å; N106-A116 WeakPolarHBondContact O-CA 3.34Å; L107-A116 HydrophobicContact CD1-CB 3.78Å |
| 117 | L | 89.3 | Confident | 86 | Confident | 38 Ų | 38 | 52.5 Ų | 52.5 | 20% | 0.199 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 124.4 | 168.2 | -169.7 | 74.4 | 0 | 0 | 0 | 108.4 | L81 L82 L105 N106 V148 | L81-L117 WeakPolarHBondContact O-CA 3.4Å; L82-L117 HydrophobicContact CB-CD1 4.33Å; L82-L117 HydrophobicContact CD1-CD1 4.2Å; L105-L117 WeakPolarHBondContact CA-O 3.29Å; N106-L117 HydrophobicContact CB-CB 4.34Å; N106-L117 PolarHBondContact N-O 2.74Å; N106-L117 PolarHBondContact O-N 2.93Å; L117-V148 HydrophobicContact CD1-CB 4.38Å; L117-V148 HydrophobicContact CD1-CG1 4.38Å; L117-V148 HydrophobicContact CD1-CG2 3.77Å |
| 118 | L | 91.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 124.7 | -177.1 | -59.7 | 155 | 0 | 0 | 0 | 108.4 | K80 L81 L83 F99 V102 L105 F120 | K80-L118 CarbonylContact C-O 3.48Å; K80-L118 VanDerWaalsContact CA-O 3.22Å; K80-L118 WeakPolarHBondContact CA-O 3.27Å; L81-L118 HydrophobicContact CB-CB 4.31Å; L81-L118 HydrophobicContact CB-CD1 4.44Å; L81-L118 HydrophobicContact CD2-CD1 3.96Å; L81-L118 PolarHBondContact N-O 2.95Å; L81-L118 PolarHBondContact O-N 3.04Å; L83-L118 HydrophobicContact CD1-CD1 3.67Å; L83-L118 HydrophobicContact CD2-CD1 4.47Å; L83-L118 HydrophobicContact CG-CD1 3.8Å; F99-L118 HydrophobicContact CD2-CD1 4.23Å; F99-L118 HydrophobicContact CD2-CD2 4.34Å; F99-L118 HydrophobicContact CE2-CD1 4.4Å; V102-L118 HydrophobicContact CB-CD2 4.5Å; V102-L118 HydrophobicContact CG1-CB 4.46Å; V102-L118 HydrophobicContact CG1-CD2 4.06Å; V102-L118 HydrophobicContact CG2-CB 4.27Å; V102-L118 HydrophobicContact CG2-CD2 3.69Å; L105-L118 HydrophobicContact CD1-CD2 3.82Å; L105-L118 HydrophobicContact CG-CD2 3.89Å; L118-F120 HydrophobicContact CB-CE2 3.76Å; L118-F120 HydrophobicContact CB-CZ 3.94Å |
| 119 | D | 89 | Confident | 86.5 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.3 | 174.3 | -62.2 | -19.4 | 0 | 0 | 0 | 110.1 | R79 K80 I103 H104 | R79-D119 CarbonylContact O-C 3.54Å; R79-D119 WeakPolarHBondContact O-CA 3.37Å; K80-D119 WeakPolarHBondContact CD-OD1 3.44Å; K80-D119 VanDerWaalsContact CE-OD1 3.27Å; K80-D119 WeakPolarHBondContact CE-OD1 3.5Å; K80-D119 HydrophobicContact CG-CB 4.45Å; K80-D119 WeakPolarHBondContact CG-OD1 3.43Å; K80-D119 IonicContact NZ-OD1 2.94Å; K80-D119 PolarHBondContact NZ-OD1 2.87Å; K80-D119 IonicContact NZ-OD2 2.74Å; K80-D119 PolarHBondContact NZ-OD2 2.99Å; I103-D119 PolarHBondContact N-O 2.85Å; H104-D119 HydrophobicContact CB-CB 3.98Å; H104-D119 PolarHBondContact O-N 3.44Å |
| 120 | F | 89.6 | Confident | 86.8 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.035 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 148.5 | -176.2 | -59.7 | -86.5 | 0 | 0 | 0 | 111.6 | R79 L81 V102 L118 D125 Y126 A129 | R79-F120 HydrophobicContact CB-CB 4.24Å; R79-F120 WeakPolarHBondContact CB-O 3.45Å; R79-F120 WeakPolarHBondContact CD-O 3.36Å; R79-F120 PolarHBondContact O-N 3.09Å; L81-F120 HydrophobicContact CB-CE2 4.04Å; V102-F120 HydrophobicContact CB-CE1 4.44Å; V102-F120 HydrophobicContact CG2-CD1 4.08Å; V102-F120 HydrophobicContact CG2-CE1 3.38Å; V102-F120 HydrophobicContact CG2-CZ 3.73Å; L118-F120 HydrophobicContact CB-CE2 3.76Å; L118-F120 HydrophobicContact CB-CZ 3.94Å; F120-D125 HydrophobicContact CB-CB 4.25Å; F120-D125 HydrophobicContact CD1-CB 3.94Å; F120-D125 HydrophobicContact CG-CB 4.47Å; F120-Y126 AromaticContact CD2-CD2 3.96Å; F120-Y126 HydrophobicContact CD2-CD2 3.96Å; F120-Y126 HydrophobicContact CE2-CD2 4.2Å; F120-A129 HydrophobicContact CE1-CB 3.6Å; F120-A129 HydrophobicContact CE2-CB 4.2Å; F120-A129 HydrophobicContact CZ-CB 3.34Å |
| 121 | S | 86.5 | Confident | 87.4 | Confident | 68 Ų | 68 | 43.2 Ų | 43.2 | 48% | 0.476 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -75 | -49 | 176.9 | -70.6 | 0 | 0 | 0 | 0 | 111.5 | R79 I103 | R79-S121 WeakPolarHBondContact CD-O 3.47Å; R79-S121 PolarHBondContact NE-O 2.85Å; R79-S121 PolarHBondContact NH1-O 3.15Å; I103-S121 WeakPolarHBondContact CD1-OG 3.4Å; I103-S121 WeakPolarHBondContact CG1-OG 3.49Å |
| 122 | S | 86.5 | Confident | 88.2 | Confident | 41 Ų | 41 | 42.7 Ų | 42.7 | 29% | 0.287 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -104.3 | 156 | -177.5 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | D124 D125 Y126 | S122-D124 VanDerWaalsContact C-N 3.27Å; S122-D124 PolarHBondContact OG-N 2.93Å; S122-D124 VanDerWaalsContact OG-N 3.16Å; S122-D125 VanDerWaalsContact CB-OD2 3.31Å; S122-D125 WeakPolarHBondContact CB-OD2 3.45Å; S122-D125 PolarHBondContact N-OD2 3.35Å; S122-Y126 PolarHBondContact O-N 3.46Å |
| 123 | N | 85.2 | Confident | 88.9 | Confident | 73 Ų | 73 | 39.4 Ų | 39.4 | 39% | 0.39 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.2 | -30.6 | 168.1 | -173.7 | 68.4 | 0 | 0 | 0 | 111.5 | Y126 L127 | N123-Y126 WeakPolarHBondContact O-CB 3.26Å; N123-Y126 PolarHBondContact O-N 3.34Å; N123-L127 WeakPolarHBondContact O-CG 3.23Å; N123-L127 PolarHBondContact O-N 3.45Å |
| 124 | D | 88.5 | Confident | 89 | Confident | 115 Ų | 115 | 42.5 Ų | 42.5 | 62% | 0.615 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -68.6 | -42.3 | 179.1 | -61.6 | -36.7 | 0 | 0 | 0 | 111.2 | S122 Y126 L127 D128 | S122-D124 VanDerWaalsContact C-N 3.27Å; S122-D124 PolarHBondContact OG-N 2.93Å; S122-D124 VanDerWaalsContact OG-N 3.16Å; D124-Y126 VanDerWaalsContact C-N 3.29Å; D124-Y126 PolarHBondContact O-N 2.91Å; D124-L127 PolarHBondContact O-N 2.99Å; D124-D128 WeakPolarHBondContact O-CB 3.48Å; D124-D128 PolarHBondContact O-N 2.91Å |
| 125 | D | 91 | Very high | 88.9 | Confident | 46 Ų | 46 | 46.3 Ų | 46.3 | 25% | 0.246 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 173.9 | -63.9 | -40.6 | 0 | 0 | 0 | 111.9 | S101 F120 S122 D128 A129 | S101-D125 WeakPolarHBondContact CB-OD1 3.5Å; S101-D125 PolarHBondContact OG-OD1 3.34Å; F120-D125 HydrophobicContact CB-CB 4.25Å; F120-D125 HydrophobicContact CD1-CB 3.94Å; F120-D125 HydrophobicContact CG-CB 4.47Å; S122-D125 VanDerWaalsContact CB-OD2 3.31Å; S122-D125 WeakPolarHBondContact CB-OD2 3.45Å; S122-D125 PolarHBondContact N-OD2 3.35Å; D125-D128 PolarHBondContact O-N 3.19Å; D125-A129 WeakPolarHBondContact O-CB 3.23Å; D125-A129 PolarHBondContact O-N 2.76Å |
| 126 | Y | 89.7 | Confident | 88.7 | Confident | 13 Ų | 13 | 46.5 Ų | 46.5 | 5% | 0.051 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 175.5 | 167 | -94.9 | 0 | 0 | 0 | 111.3 | L81 F120 S122 N123 D124 A129 V130 A147 | L81-Y126 HydrophobicContact CB-CE2 4.22Å; L81-Y126 HydrophobicContact CD1-CD2 4.38Å; L81-Y126 HydrophobicContact CD1-CE2 3.54Å; F120-Y126 AromaticContact CD2-CD2 3.96Å; F120-Y126 HydrophobicContact CD2-CD2 3.96Å; F120-Y126 HydrophobicContact CE2-CD2 4.2Å; S122-Y126 PolarHBondContact O-N 3.46Å; N123-Y126 WeakPolarHBondContact O-CB 3.26Å; N123-Y126 PolarHBondContact O-N 3.34Å; D124-Y126 VanDerWaalsContact C-N 3.29Å; D124-Y126 PolarHBondContact O-N 2.91Å; Y126-A129 PolarHBondContact O-N 3.17Å; Y126-V130 HydrophobicContact CD1-CG2 4.46Å; Y126-V130 HydrophobicContact CD2-CG2 4.48Å; Y126-V130 HydrophobicContact CE1-CG2 3.99Å; Y126-V130 HydrophobicContact CE2-CG2 4.03Å; Y126-V130 VanDerWaalsContact O-CG2 3.32Å; Y126-V130 WeakPolarHBondContact O-CG2 3.32Å; Y126-V130 PolarHBondContact O-N 3.36Å; Y126-A147 WeakPolarHBondContact OH-CB 3.32Å |
| 127 | L | 88.8 | Confident | 88.6 | Confident | 68 Ų | 68 | 52.4 Ų | 52.4 | 36% | 0.356 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.9 | -39 | 178.3 | -72.6 | 174.6 | 0 | 0 | 0 | 111.9 | N123 D124 V130 N131 | N123-L127 WeakPolarHBondContact O-CG 3.23Å; N123-L127 PolarHBondContact O-N 3.45Å; D124-L127 PolarHBondContact O-N 2.99Å; L127-V130 PolarHBondContact O-N 2.95Å; L127-N131 WeakPolarHBondContact O-CB 3.47Å; L127-N131 VanDerWaalsContact O-CG 3.28Å; L127-N131 PolarHBondContact O-N 3.35Å; L127-N131 PolarHBondContact O-ND2 2.96Å; L127-N131 VanDerWaalsContact O-ND2 3.17Å |
| 128 | D | 91.4 | Very high | 88.4 | Confident | 63 Ų | 63 | 51.1 Ų | 51.1 | 34% | 0.337 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.7 | -49 | 173.3 | -174.7 | 53.1 | 0 | 0 | 0 | 110.8 | D124 D125 V130 N131 R132 | D124-D128 WeakPolarHBondContact O-CB 3.48Å; D124-D128 PolarHBondContact O-N 2.91Å; D125-D128 PolarHBondContact O-N 3.19Å; D128-V130 VanDerWaalsContact C-N 3.34Å; D128-V130 PolarHBondContact O-N 3.36Å; D128-N131 PolarHBondContact O-N 2.95Å; D128-N131 VanDerWaalsContact O-N 3.08Å; D128-R132 WeakPolarHBondContact O-CG 3.19Å; D128-R132 PolarHBondContact O-N 3.18Å; D128-R132 IonicContact OD1-NE 3.83Å; D128-R132 IonicContact OD2-CZ 2.69Å; D128-R132 VanDerWaalsContact OD2-CZ 3.24Å; D128-R132 IonicContact OD2-NE 3.13Å; D128-R132 PolarHBondContact OD2-NE 3.02Å; D128-R132 IonicContact OD2-NH2 3.77Å; D128-R132 PolarHBondContact OD2-NH2 3.3Å |
| 129 | A | 91.7 | Very high | 88.1 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 2% | 0.017 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.4 | -42.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F99 F120 D125 Y126 N131 R132 L133 | F99-A129 HydrophobicContact CD1-CB 3.65Å; F99-A129 HydrophobicContact CE1-CB 3.97Å; F120-A129 HydrophobicContact CE1-CB 3.6Å; F120-A129 HydrophobicContact CE2-CB 4.2Å; F120-A129 HydrophobicContact CZ-CB 3.34Å; D125-A129 WeakPolarHBondContact O-CB 3.23Å; D125-A129 PolarHBondContact O-N 2.76Å; Y126-A129 PolarHBondContact O-N 3.17Å; A129-N131 VanDerWaalsContact C-N 3.3Å; A129-N131 PolarHBondContact O-N 3.48Å; A129-R132 PolarHBondContact O-N 2.87Å; A129-L133 WeakPolarHBondContact O-CB 3.4Å; A129-L133 WeakPolarHBondContact O-CD1 3.41Å; A129-L133 VanDerWaalsContact O-CG 3.32Å; A129-L133 WeakPolarHBondContact O-CG 3.46Å; A129-L133 PolarHBondContact O-N 3.46Å |
| 130 | V | 88.5 | Confident | 87.7 | Confident | 11 Ų | 11 | 58.6 Ų | 58.6 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.6 | -38 | 175.5 | 169.5 | 0 | 0 | 0 | 0 | 111.5 | L81 Y126 L127 D128 K134 Y145 | L81-V130 HydrophobicContact CD1-CG2 3.66Å; Y126-V130 HydrophobicContact CD1-CG2 4.46Å; Y126-V130 HydrophobicContact CD2-CG2 4.48Å; Y126-V130 HydrophobicContact CE1-CG2 3.99Å; Y126-V130 HydrophobicContact CE2-CG2 4.03Å; Y126-V130 VanDerWaalsContact O-CG2 3.32Å; Y126-V130 WeakPolarHBondContact O-CG2 3.32Å; Y126-V130 PolarHBondContact O-N 3.36Å; L127-V130 PolarHBondContact O-N 2.95Å; D128-V130 VanDerWaalsContact C-N 3.34Å; D128-V130 PolarHBondContact O-N 3.36Å; V130-K134 PolarHBondContact O-N 3.28Å; V130-Y145 HydrophobicContact CG1-CE2 4.13Å |
| 131 | N | 89.4 | Confident | 87.3 | Confident | 84 Ų | 84 | 61.9 Ų | 61.9 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.2 | -43.1 | 177.8 | -72.1 | -32.2 | 0 | 0 | 0 | 111.7 | L127 D128 A129 L133 K134 | L127-N131 WeakPolarHBondContact O-CB 3.47Å; L127-N131 VanDerWaalsContact O-CG 3.28Å; L127-N131 PolarHBondContact O-N 3.35Å; L127-N131 PolarHBondContact O-ND2 2.96Å; L127-N131 VanDerWaalsContact O-ND2 3.17Å; D128-N131 PolarHBondContact O-N 2.95Å; D128-N131 VanDerWaalsContact O-N 3.08Å; A129-N131 VanDerWaalsContact C-N 3.3Å; A129-N131 PolarHBondContact O-N 3.48Å; N131-L133 VanDerWaalsContact C-N 3.31Å; N131-L133 PolarHBondContact O-N 2.84Å; N131-K134 WeakPolarHBondContact O-CB 3.44Å; N131-K134 PolarHBondContact O-N 2.89Å; N131-K134 VanDerWaalsContact O-N 3.14Å; N131-K134 PolarHBondContact OD1-NZ 2.82Å |
| 132 | R | 89.4 | Confident | 87.2 | Confident | 97 Ų | 97 | 64.3 Ų | 64.3 | 37% | 0.366 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58 | -41.6 | 173.2 | -68.6 | 177.7 | -169.8 | -128 | -2.5 | 112.2 | I98 F99 D128 A129 K134 S135 I136 | I98-R132 PolarHBondContact O-NH1 3.4Å; F99-R132 HydrophobicContact CE1-CB 4.14Å; D128-R132 WeakPolarHBondContact O-CG 3.19Å; D128-R132 PolarHBondContact O-N 3.18Å; D128-R132 IonicContact OD1-NE 3.83Å; D128-R132 IonicContact OD2-CZ 2.69Å; D128-R132 VanDerWaalsContact OD2-CZ 3.24Å; D128-R132 IonicContact OD2-NE 3.13Å; D128-R132 PolarHBondContact OD2-NE 3.02Å; D128-R132 IonicContact OD2-NH2 3.77Å; D128-R132 PolarHBondContact OD2-NH2 3.3Å; A129-R132 PolarHBondContact O-N 2.87Å; R132-K134 PolarHBondContact O-N 2.76Å; R132-S135 PolarHBondContact O-N 3.39Å; R132-S135 VanDerWaalsContact O-N 3.15Å; R132-S135 PolarHBondContact O-OG 2.77Å; R132-I136 HydrophobicContact CB-CD1 4.03Å; R132-I136 WeakPolarHBondContact O-CD1 3.42Å; R132-I136 VanDerWaalsContact O-CG1 3.25Å; R132-I136 WeakPolarHBondContact O-CG1 3.24Å; R132-I136 PolarHBondContact O-N 2.89Å; R132-I136 VanDerWaalsContact O-N 3.14Å |
| 133 | L | 89.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.5 | -19.5 | 178.8 | -78.1 | 163.5 | 0 | 0 | 0 | 114.6 | L81 L83 F99 A129 N131 S135 P143 Y145 | L81-L133 HydrophobicContact CD2-CD1 3.16Å; L83-L133 HydrophobicContact CD1-CD2 4.41Å; L83-L133 HydrophobicContact CD2-CD1 3.72Å; L83-L133 HydrophobicContact CD2-CD2 3.64Å; L83-L133 HydrophobicContact CD2-CG 4.36Å; F99-L133 HydrophobicContact CE1-CD1 4.3Å; F99-L133 HydrophobicContact CE1-CD2 4.36Å; F99-L133 HydrophobicContact CE1-CG 3.88Å; F99-L133 HydrophobicContact CE2-CD2 4.25Å; F99-L133 HydrophobicContact CZ-CD1 4.06Å; F99-L133 HydrophobicContact CZ-CD2 3.5Å; F99-L133 VanDerWaalsContact CZ-CD2 3.5Å; F99-L133 HydrophobicContact CZ-CG 3.51Å; A129-L133 WeakPolarHBondContact O-CB 3.4Å; A129-L133 WeakPolarHBondContact O-CD1 3.41Å; A129-L133 VanDerWaalsContact O-CG 3.32Å; A129-L133 WeakPolarHBondContact O-CG 3.46Å; A129-L133 PolarHBondContact O-N 3.46Å; N131-L133 VanDerWaalsContact C-N 3.31Å; N131-L133 PolarHBondContact O-N 2.84Å; L133-S135 VanDerWaalsContact C-N 3.29Å; L133-P143 HydrophobicContact CD2-CB 4.38Å; L133-P143 HydrophobicContact CD2-CG 3.8Å; L133-Y145 HydrophobicContact CB-CD1 3.84Å; L133-Y145 HydrophobicContact CB-CE1 3.83Å; L133-Y145 HydrophobicContact CB-CG 4.35Å; L133-Y145 HydrophobicContact CD1-CD1 4.29Å; L133-Y145 HydrophobicContact CD1-CD2 4.42Å; L133-Y145 HydrophobicContact CD1-CG 4.03Å; L133-Y145 HydrophobicContact CG-CD1 4.49Å |
| 134 | K | 85.7 | Confident | 87.1 | Confident | 93 Ų | 93 | 63.1 Ų | 63.1 | 40% | 0.404 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.6 | -29.4 | 176 | -69 | 169 | -173.1 | 163.4 | 0 | 112.1 | V130 N131 R132 K142 Y145 | V130-K134 PolarHBondContact O-N 3.28Å; N131-K134 WeakPolarHBondContact O-CB 3.44Å; N131-K134 PolarHBondContact O-N 2.89Å; N131-K134 VanDerWaalsContact O-N 3.14Å; N131-K134 PolarHBondContact OD1-NZ 2.82Å; R132-K134 PolarHBondContact O-N 2.76Å; K134-K142 WeakPolarHBondContact O-CE 3.45Å; K134-K142 PolarHBondContact O-NZ 3.37Å; K134-Y145 WeakPolarHBondContact CG-OH 3.37Å |
| 135 | S | 84.1 | Confident | 87.2 | Confident | 99 Ų | 99 | 60.9 Ų | 60.9 | 69% | 0.692 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -106.6 | -9.4 | -175.5 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | R132 L133 | R132-S135 PolarHBondContact O-N 3.39Å; R132-S135 VanDerWaalsContact O-N 3.15Å; R132-S135 PolarHBondContact O-OG 2.77Å; L133-S135 VanDerWaalsContact C-N 3.29Å |
| 136 | I | 87.4 | Confident | 86.8 | Confident | 36 Ų | 36 | 63.2 Ų | 63.2 | 19% | 0.185 | 33% | 0.333 | C | S | . | . | trans | -89.9 | 139.8 | -179.4 | -71.2 | 170.3 | 0 | 0 | 0 | 111.2 | I98 R132 F138 P143 | I98-I136 HydrophobicContact CG2-CD1 3.33Å; R132-I136 HydrophobicContact CB-CD1 4.03Å; R132-I136 WeakPolarHBondContact O-CD1 3.42Å; R132-I136 VanDerWaalsContact O-CG1 3.25Å; R132-I136 WeakPolarHBondContact O-CG1 3.24Å; R132-I136 PolarHBondContact O-N 2.89Å; R132-I136 VanDerWaalsContact O-N 3.14Å; I136-F138 HydrophobicContact CG2-CD2 4.22Å; I136-F138 HydrophobicContact CG2-CE1 4.37Å; I136-F138 HydrophobicContact CG2-CE2 3.83Å; I136-F138 HydrophobicContact CG2-CZ 3.91Å; I136-P143 WeakPolarHBondContact O-CD 3.49Å | ||
| 137 | E | 88.6 | Confident | 86.4 | Confident | 123 Ų | 123 | 64.4 Ų | 64.4 | 58% | 0.575 | 35% | 0.346 | S | S | * | . | trans | -126.8 | 138.2 | 169.1 | -62.8 | -176.2 | 171.1 | 0 | 0 | 109.1 | ||||
| 138 | F | 85.6 | Confident | 85.6 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 5% | 0.053 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -105.7 | 115.8 | 176.7 | -65.8 | -81.3 | 0 | 0 | 0 | 108.5 | L86 P87 V90 I94 L95 I98 I136 G140 T141 P143 | L86-F138 HydrophobicContact CD2-CD2 3.81Å; L86-F138 HydrophobicContact CD2-CE2 3.82Å; L86-F138 HydrophobicContact CD2-CG 4.43Å; L86-F138 HydrophobicContact CD2-CZ 4.46Å; P87-F138 HydrophobicContact CG-CB 3.89Å; V90-F138 HydrophobicContact CG1-CD1 4.38Å; V90-F138 HydrophobicContact CG1-CE1 4.24Å; V90-F138 HydrophobicContact CG2-CB 3.96Å; V90-F138 HydrophobicContact CG2-CD1 3.52Å; V90-F138 HydrophobicContact CG2-CE1 4.2Å; V90-F138 HydrophobicContact CG2-CG 3.9Å; I94-F138 HydrophobicContact CG2-CE1 4.29Å; L95-F138 HydrophobicContact CD2-CE1 4.17Å; L95-F138 HydrophobicContact CD2-CZ 3.8Å; I98-F138 HydrophobicContact CD1-CE1 3.4Å; I98-F138 HydrophobicContact CD1-CZ 3.7Å; I136-F138 HydrophobicContact CG2-CD2 4.22Å; I136-F138 HydrophobicContact CG2-CE1 4.37Å; I136-F138 HydrophobicContact CG2-CE2 3.83Å; I136-F138 HydrophobicContact CG2-CZ 3.91Å; F138-G140 VanDerWaalsContact C-N 3.25Å; F138-G140 PolarHBondContact O-N 3.12Å; F138-T141 PolarHBondContact N-O 2.86Å; F138-T141 WeakPolarHBondContact O-CA 3.38Å; F138-T141 WeakPolarHBondContact O-CB 3.21Å; F138-T141 PolarHBondContact O-N 3.28Å; F138-P143 HydrophobicContact CD2-CB 3.72Å; F138-P143 HydrophobicContact CD2-CG 3.76Å; F138-P143 HydrophobicContact CE2-CB 3.73Å; F138-P143 HydrophobicContact CE2-CG 3.67Å |
| 139 | D | 83.4 | Confident | 84.2 | Confident | 115 Ų | 115 | 60 Ų | 60 | 62% | 0.615 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 44.7 | -175.1 | -59.7 | -17.5 | 0 | 0 | 0 | 112.4 | P87 S89 T141 | P87-D139 HydrophobicContact CG-CB 4.27Å; S89-D139 WeakPolarHBondContact CB-OD2 3.41Å; S89-D139 PolarHBondContact OG-OD2 2.63Å; D139-T141 PolarHBondContact O-N 2.91Å |
| 140 | G | 81.8 | Confident | 82.2 | Confident | 63 Ų | 63 | 60.9 Ų | 60.9 | 65% | 0.649 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 8.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | F138 | F138-G140 VanDerWaalsContact C-N 3.25Å; F138-G140 PolarHBondContact O-N 3.12Å |
| 141 | T | 80.3 | Confident | 80.2 | Confident | 77 Ų | 77 | 63.3 Ų | 63.3 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -110.1 | 123.2 | 177.5 | -53.6 | 0 | 0 | 0 | 0 | 110.4 | F138 D139 | F138-T141 PolarHBondContact N-O 2.86Å; F138-T141 WeakPolarHBondContact O-CA 3.38Å; F138-T141 WeakPolarHBondContact O-CB 3.21Å; F138-T141 PolarHBondContact O-N 3.28Å; D139-T141 PolarHBondContact O-N 2.91Å |
| 142 | K | 85.2 | Confident | 77.6 | Confident | 119 Ų | 119 | 64.5 Ų | 64.5 | 52% | 0.517 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 125.9 | 174.8 | -165.4 | 168.7 | -169.5 | 148.8 | 0 | 110.6 | K134 | K134-K142 WeakPolarHBondContact O-CE 3.45Å; K134-K142 PolarHBondContact O-NZ 3.37Å |
| 143 | P | 83.2 | Confident | 75 | Confident | 8 Ų | 8 | 68.5 Ų | 68.5 | 5% | 0.052 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -67 | 138.2 | 178.9 | 27.4 | -34.1 | 0 | 0 | 0 | 111 | L86 L133 I136 F138 | L86-P143 HydrophobicContact CD2-CB 4.05Å; L133-P143 HydrophobicContact CD2-CB 4.38Å; L133-P143 HydrophobicContact CD2-CG 3.8Å; I136-P143 WeakPolarHBondContact O-CD 3.49Å; F138-P143 HydrophobicContact CD2-CB 3.72Å; F138-P143 HydrophobicContact CD2-CG 3.76Å; F138-P143 HydrophobicContact CE2-CB 3.73Å; F138-P143 HydrophobicContact CE2-CG 3.67Å |
| 144 | N | 86.6 | Confident | 72.2 | Confident | 81 Ų | 81 | 71.6 Ų | 71.6 | 43% | 0.433 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 120.5 | 170.9 | -176.9 | -11.9 | 0 | 0 | 0 | 109.1 | L83 T84 | L83-N144 CarbonylContact C-O 3.56Å; L83-N144 WeakPolarHBondContact CA-O 3.21Å; T84-N144 PolarHBondContact N-O 3.13Å; T84-N144 PolarHBondContact O-N 3.14Å; T84-N144 WeakPolarHBondContact OG1-CB 3.36Å; T84-N144 PolarHBondContact OG1-O 3.43Å |
| 145 | Y | 88.9 | Confident | 69.8 | Low | 68 Ų | 68 | 72.7 Ų | 72.7 | 27% | 0.267 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 145.2 | -177.9 | 64.9 | -91.6 | 0 | 0 | 0 | 112.6 | L81 L82 L83 V130 L133 K134 | L81-Y145 HydrophobicContact CD1-CD2 4.28Å; L82-Y145 CarbonylContact O-C 3.53Å; L82-Y145 VanDerWaalsContact O-CA 3.23Å; L82-Y145 WeakPolarHBondContact O-CA 3.48Å; L83-Y145 VanDerWaalsContact CD2-CB 3.47Å; V130-Y145 HydrophobicContact CG1-CE2 4.13Å; L133-Y145 HydrophobicContact CB-CD1 3.84Å; L133-Y145 HydrophobicContact CB-CE1 3.83Å; L133-Y145 HydrophobicContact CB-CG 4.35Å; L133-Y145 HydrophobicContact CD1-CD1 4.29Å; L133-Y145 HydrophobicContact CD1-CD2 4.42Å; L133-Y145 HydrophobicContact CD1-CG 4.03Å; L133-Y145 HydrophobicContact CG-CD1 4.49Å; K134-Y145 WeakPolarHBondContact CG-OH 3.37Å |
| 146 | Q | 83.8 | Confident | 67.5 | Low | 95 Ų | 95 | 74 Ų | 74 | 44% | 0.444 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 140.8 | 176.6 | -73.7 | -176.1 | -0.2 | 0 | 0 | 111.2 | L82 I205 | L82-Q146 PolarHBondContact N-O 3.08Å; L82-Q146 PolarHBondContact O-N 3.42Å; Q146-I205 HydrophobicContact CB-CD1 4.5Å |
| 147 | A | 81 | Confident | 65.2 | Low | 38 Ų | 38 | 74.5 Ų | 74.5 | 31% | 0.314 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 135.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y126 | Y126-A147 WeakPolarHBondContact OH-CB 3.32Å |
| 148 | V | 72.3 | Confident | 62.8 | Low | 3 Ų | 3 | 72.4 Ų | 72.4 | 2% | 0.018 | 41% | 0.41 | C | S | . | . | trans | -107.7 | 114.1 | 177.8 | 172.9 | 0 | 0 | 0 | 0 | 108.2 | T78 K80 L82 L117 G150 F203 I205 | T78-V148 VanDerWaalsContact CG2-C 3.45Å; T78-V148 WeakPolarHBondContact CG2-O 3.22Å; K80-V148 HydrophobicContact CB-CB 3.78Å; K80-V148 HydrophobicContact CB-CG1 4.15Å; K80-V148 PolarHBondContact O-N 2.88Å; L82-V148 HydrophobicContact CB-CG2 3.57Å; L117-V148 HydrophobicContact CD1-CB 4.38Å; L117-V148 HydrophobicContact CD1-CG1 4.38Å; L117-V148 HydrophobicContact CD1-CG2 3.77Å; V148-G150 PolarHBondContact O-N 3.19Å; V148-F203 WeakPolarHBondContact CG1-O 3.41Å; V148-I205 HydrophobicContact CG2-CD1 4.39Å; V148-I205 HydrophobicContact CG2-CG1 3.89Å | ||
| 149 | V | 61.8 | Low | 60.5 | Low | 35 Ų | 35 | 78.2 Ų | 78.2 | 21% | 0.212 | 44% | 0.442 | C | S | . | . | trans | -60.6 | 103.1 | 177.1 | -171.4 | 0 | 0 | 0 | 0 | 109.9 | T78 Y151 | T78-V149 HydrophobicContact CG2-CB 4.28Å; T78-V149 HydrophobicContact CG2-CG2 4.24Å; V149-Y151 HydrophobicContact CB-CE2 4Å; V149-Y151 HydrophobicContact CG1-CD2 4.36Å; V149-Y151 HydrophobicContact CG1-CE1 4.25Å; V149-Y151 HydrophobicContact CG1-CE2 3.66Å; V149-Y151 PolarHBondContact O-N 2.92Å | ||
| 150 | G | 49.5 | Very low | 58.3 | Low | 21 Ų | 21 | 75.6 Ų | 75.6 | 22% | 0.216 | 43% | 0.427 | C | S | . | . | trans | -84.6 | 104.1 | 174 | 0 | 0 | 0 | 0 | 0 | 108.3 | G77 V148 T152 | G77-G150 PolarHBondContact O-N 3.49Å; V148-G150 PolarHBondContact O-N 3.19Å; G150-T152 PolarHBondContact O-N 3.46Å; G150-T152 VanDerWaalsContact O-N 3.09Å | ||
| 151 | Y | 46.1 | Very low | 56.3 | Low | 63 Ų | 63 | 74.8 Ų | 74.8 | 25% | 0.247 | 41% | 0.412 | C | S | . | . | trans | -70.2 | 108.1 | 172 | -65.2 | -90.9 | 0 | 0 | 0 | 108.6 | V149 L198 V200 | V149-Y151 HydrophobicContact CB-CE2 4Å; V149-Y151 HydrophobicContact CG1-CD2 4.36Å; V149-Y151 HydrophobicContact CG1-CE1 4.25Å; V149-Y151 HydrophobicContact CG1-CE2 3.66Å; V149-Y151 PolarHBondContact O-N 2.92Å; Y151-L198 HydrophobicContact CE1-CB 3.6Å; Y151-L198 HydrophobicContact CE1-CD1 3.66Å; Y151-L198 HydrophobicContact CE1-CG 3.68Å; Y151-L198 HydrophobicContact CE2-CB 4.37Å; Y151-L198 WeakPolarHBondContact OH-CB 3.45Å; Y151-L198 WeakPolarHBondContact OH-CD1 3.12Å; Y151-L198 VanDerWaalsContact OH-CG 3.26Å; Y151-L198 WeakPolarHBondContact OH-CG 3.39Å; Y151-V200 HydrophobicContact CD2-CG1 4.09Å; Y151-V200 HydrophobicContact CE2-CG1 3.34Å | ||
| 152 | T | 34.8 | Very low | 54.4 | Low | 109 Ų | 109 | 79 Ų | 79 | 67% | 0.669 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -60.5 | 129.9 | 155.2 | 48.8 | 0 | 0 | 0 | 0 | 107.7 | G150 | G150-T152 PolarHBondContact O-N 3.46Å; G150-T152 VanDerWaalsContact O-N 3.09Å |
| 153 | E | 34.3 | Very low | 52.2 | Low | 181 Ų | 181 | 79.6 Ų | 79.6 | 85% | 0.846 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 89.4 | -8.1 | 163.7 | -57.7 | -175.5 | 175.3 | 0 | 0 | 122.5 | ||
| 154 | N | 32.8 | Very low | 50.1 | Low | 65 Ų | 65 | 85.3 Ų | 85.3 | 35% | 0.348 | 45% | 0.453 | S | S | . | . | trans | -117.3 | 14.4 | 178.7 | -72.4 | -35.1 | 0 | 0 | 0 | 116.6 | V156 Q157 | N154-V156 PolarHBondContact O-N 3.3Å; N154-Q157 PolarHBondContact O-N 2.89Å | ||
| 155 | T | 34.7 | Very low | 48.3 | Very low | 115 Ų | 115 | 82.2 Ų | 82.2 | 71% | 0.706 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -67.6 | -16 | -178 | -52.2 | 0 | 0 | 0 | 0 | 114.2 | Q157 | T155-Q157 PolarHBondContact O-N 2.82Å; T155-Q157 VanDerWaalsContact O-N 3.16Å |
| 156 | V | 35 | Very low | 46.4 | Very low | 126 Ų | 126 | 82.5 Ų | 82.5 | 76% | 0.764 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -64.2 | -17.9 | 169.2 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | N154 | N154-V156 PolarHBondContact O-N 3.3Š|
| 157 | Q | 39.8 | Very low | 44.7 | Very low | 47 Ų | 47 | 84.5 Ų | 84.5 | 22% | 0.22 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -110.4 | 23.6 | -173 | -59.6 | -169.5 | -21.2 | 0 | 0 | 116.1 | N154 T155 N159 L160 S161 | N154-Q157 PolarHBondContact O-N 2.89Å; T155-Q157 PolarHBondContact O-N 2.82Å; T155-Q157 VanDerWaalsContact O-N 3.16Å; Q157-N159 PolarHBondContact O-N 3.37Å; Q157-L160 HydrophobicContact CB-CB 3.84Å; Q157-L160 HydrophobicContact CG-CB 3.78Å; Q157-L160 HydrophobicContact CG-CD1 4.33Å; Q157-L160 PolarHBondContact O-N 3.37Å; Q157-S161 WeakPolarHBondContact O-CA 3.17Å; Q157-S161 WeakPolarHBondContact O-CB 3.31Å; Q157-S161 PolarHBondContact O-N 3.16Å; Q157-S161 PolarHBondContact O-OG 2.78Å |
| 158 | S | 38.3 | Very low | 43.6 | Very low | 79 Ų | 79 | 84.1 Ų | 84.1 | 55% | 0.552 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -25.4 | 171 | 65.2 | 0 | 0 | 0 | 0 | 112.9 | ||
| 159 | N | 36.8 | Very low | 43.4 | Very low | 134 Ų | 134 | 87.7 Ų | 87.7 | 72% | 0.717 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -33.3 | 170.4 | -64 | -29.2 | 0 | 0 | 0 | 112.5 | Q157 | Q157-N159 PolarHBondContact O-N 3.37Š|
| 160 | L | 36.9 | Very low | 44.4 | Very low | 60 Ų | 60 | 87.9 Ų | 87.9 | 31% | 0.314 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -24.8 | 179.4 | -73.3 | 155.5 | 0 | 0 | 0 | 113.6 | Q157 K162 Q163 F164 | Q157-L160 HydrophobicContact CB-CB 3.84Å; Q157-L160 HydrophobicContact CG-CB 3.78Å; Q157-L160 HydrophobicContact CG-CD1 4.33Å; Q157-L160 PolarHBondContact O-N 3.37Å; L160-K162 VanDerWaalsContact C-N 3.25Å; L160-K162 PolarHBondContact O-N 3.45Å; L160-Q163 CarbonylContact O-C 3.53Å; L160-Q163 WeakPolarHBondContact O-CA 3.27Å; L160-Q163 PolarHBondContact O-N 3.34Å; L160-F164 HydrophobicContact CB-CD2 3.86Å; L160-F164 HydrophobicContact CB-CE2 4.11Å; L160-F164 HydrophobicContact CD2-CD2 4.01Å; L160-F164 HydrophobicContact CD2-CE2 3.6Å; L160-F164 HydrophobicContact CG-CE2 4.31Å; L160-F164 PolarHBondContact O-N 2.81Å |
| 161 | S | 40 | Very low | 46.1 | Very low | 47 Ų | 47 | 87 Ų | 87 | 33% | 0.329 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -17.9 | 175.8 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | Q157 Q163 V165 | Q157-S161 WeakPolarHBondContact O-CA 3.17Å; Q157-S161 WeakPolarHBondContact O-CB 3.31Å; Q157-S161 PolarHBondContact O-N 3.16Å; Q157-S161 PolarHBondContact O-OG 2.78Å; S161-Q163 VanDerWaalsContact C-N 3.33Å; S161-V165 WeakPolarHBondContact O-CB 2.93Å; S161-V165 WeakPolarHBondContact O-CG2 3.13Å |
| 162 | K | 41.3 | Very low | 48 | Very low | 165 Ų | 165 | 84 Ų | 84 | 72% | 0.717 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -18.1 | 165.2 | -76.2 | 178.8 | -177.5 | 166.6 | 0 | 112.7 | L160 T166 | L160-K162 VanDerWaalsContact C-N 3.25Å; L160-K162 PolarHBondContact O-N 3.45Å; K162-T166 WeakPolarHBondContact O-CG2 3.4Å; K162-T166 PolarHBondContact O-OG1 3.4Å |
| 163 | Q | 38.1 | Very low | 50.6 | Low | 132 Ų | 132 | 80.2 Ų | 80.2 | 62% | 0.617 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -44.1 | -169.5 | -143.9 | 173.8 | 2.6 | 0 | 0 | 112.5 | L160 S161 T166 | L160-Q163 CarbonylContact O-C 3.53Å; L160-Q163 WeakPolarHBondContact O-CA 3.27Å; L160-Q163 PolarHBondContact O-N 3.34Å; S161-Q163 VanDerWaalsContact C-N 3.33Å; Q163-T166 PolarHBondContact O-OG1 2.93Å |
| 164 | F | 39.4 | Very low | 53.2 | Low | 128 Ų | 128 | 71.6 Ų | 71.6 | 56% | 0.561 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -67.2 | -41.1 | 172.2 | -85.3 | -82.6 | 0 | 0 | 0 | 111.8 | L160 T166 N167 S168 | L160-F164 HydrophobicContact CB-CD2 3.86Å; L160-F164 HydrophobicContact CB-CE2 4.11Å; L160-F164 HydrophobicContact CD2-CD2 4.01Å; L160-F164 HydrophobicContact CD2-CE2 3.6Å; L160-F164 HydrophobicContact CG-CE2 4.31Å; L160-F164 PolarHBondContact O-N 2.81Å; F164-T166 PolarHBondContact O-N 3.35Å; F164-N167 PolarHBondContact O-N 3.13Å; F164-S168 PolarHBondContact O-N 3.45Å; F164-S168 PolarHBondContact O-OG 2.87Å |
| 165 | V | 49.6 | Very low | 55.9 | Low | 15 Ų | 15 | 75 Ų | 75 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -14.4 | -172.8 | -168.4 | 0 | 0 | 0 | 0 | 111.3 | S161 T211 Q242 | S161-V165 WeakPolarHBondContact O-CB 2.93Å; S161-V165 WeakPolarHBondContact O-CG2 3.13Å; V165-T211 HydrophobicContact CG1-CG2 3.66Å; V165-Q242 VanDerWaalsContact O-CG 3.27Å; V165-Q242 WeakPolarHBondContact O-CG 3.19Å; V165-Q242 PolarHBondContact O-NE2 2.76Å |
| 166 | T | 47.2 | Very low | 58.5 | Low | 75 Ų | 75 | 72.5 Ų | 72.5 | 46% | 0.46 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -14.5 | 175.5 | 46.2 | 0 | 0 | 0 | 0 | 114.8 | K162 Q163 F164 | K162-T166 WeakPolarHBondContact O-CG2 3.4Å; K162-T166 PolarHBondContact O-OG1 3.4Å; Q163-T166 PolarHBondContact O-OG1 2.93Å; F164-T166 PolarHBondContact O-N 3.35Å |
| 167 | N | 49.5 | Very low | 61.1 | Low | 137 Ų | 137 | 66.6 Ų | 66.6 | 73% | 0.733 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126 | -1.7 | -171.2 | -74.3 | 1.5 | 0 | 0 | 0 | 114.6 | F164 P169 | F164-N167 PolarHBondContact O-N 3.13Å; N167-P169 WeakPolarHBondContact O-CD 3.47Å |
| 168 | S | 58.4 | Low | 63.3 | Low | 29 Ų | 29 | 64.6 Ų | 64.6 | 20% | 0.203 | 34% | 0.337 | C | S | . | . | trans | -81.7 | 116.5 | 175.9 | 39.1 | 0 | 0 | 0 | 0 | 110.7 | F164 N170 C171 | F164-S168 PolarHBondContact O-N 3.45Å; F164-S168 PolarHBondContact O-OG 2.87Å; S168-N170 PolarHBondContact O-N 2.68Å; S168-N170 VanDerWaalsContact O-N 3.1Å; S168-C171 PolarHBondContact O-N 2.99Å; S168-C171 PolarHBondContact OG-SG 2.79Å | ||
| 169 | P | 67.1 | Low | 65.5 | Low | 78 Ų | 78 | 67.8 Ų | 67.8 | 51% | 0.506 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -14.8 | -176.4 | 25.8 | -33.7 | 0 | 0 | 0 | 113.5 | N167 | N167-P169 WeakPolarHBondContact O-CD 3.47Š|
| 170 | N | 82.1 | Confident | 67.6 | Low | 39 Ų | 39 | 65.6 Ų | 65.6 | 21% | 0.209 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 27.1 | -173.7 | -61.3 | -4.9 | 0 | 0 | 0 | 113.5 | S168 M214 K215 | S168-N170 PolarHBondContact O-N 2.68Å; S168-N170 VanDerWaalsContact O-N 3.1Å; N170-M214 HydrophobicContact CB-CB 4.45Å; N170-M214 WeakPolarHBondContact CB-O 3.33Å; N170-M214 PolarHBondContact O-N 2.73Å; N170-K215 PolarHBondContact ND2-O 2.89Å; N170-K215 VanDerWaalsContact ND2-O 3.15Å |
| 171 | C | 84.9 | Confident | 69.9 | Low | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.02 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 133.9 | 178.7 | -77.9 | 0 | 0 | 0 | 0 | 113.7 | S168 T211 L212 Q242 | S168-C171 PolarHBondContact O-N 2.99Å; S168-C171 PolarHBondContact OG-SG 2.79Å; C171-T211 HydrophobicContact CB-CG2 3.87Å; C171-L212 WeakPolarHBondContact CA-O 3.38Å; C171-Q242 HydrophobicContact CB-CB 4.06Å; C171-Q242 VanDerWaalsContact O-CB 3.27Å; C171-Q242 WeakPolarHBondContact O-CB 3.4Å; C171-Q242 PolarHBondContact O-N 2.82Å |
| 172 | L | 87.1 | Confident | 72 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 125.3 | 174.8 | -167.2 | 63.1 | 0 | 0 | 0 | 110.7 | I174 T211 L212 L220 V223 I224 A239 L241 | L172-I174 HydrophobicContact CD2-CD1 4.33Å; L172-I174 HydrophobicContact CD2-CG1 4.16Å; L172-I174 HydrophobicContact CG-CG1 4.27Å; L172-T211 CarbonylContact O-C 3.55Å; L172-T211 VanDerWaalsContact O-CA 3.31Å; L172-T211 WeakPolarHBondContact O-CA 3.44Å; L172-L212 HydrophobicContact CB-CB 4.33Å; L172-L212 PolarHBondContact N-O 2.76Å; L172-L212 PolarHBondContact O-N 3.24Å; L172-L220 HydrophobicContact CB-CD1 3.64Å; L172-L220 HydrophobicContact CD1-CD1 4.22Å; L172-L220 HydrophobicContact CG-CD1 4.36Å; L172-V223 HydrophobicContact CD2-CB 4.42Å; L172-V223 HydrophobicContact CD2-CG1 3.64Å; L172-I224 HydrophobicContact CD1-CD1 4.05Å; L172-I224 HydrophobicContact CD1-CG1 3.56Å; L172-I224 HydrophobicContact CD2-CG1 4.14Å; L172-A239 HydrophobicContact CD1-CB 4.1Å; L172-A239 HydrophobicContact CD2-CB 4.07Å; L172-A239 HydrophobicContact CG-CB 4.24Å; L172-L241 HydrophobicContact CD1-CD1 4.44Å |
| 173 | I | 88.7 | Confident | 74 | Confident | 30 Ų | 30 | 55.9 Ų | 55.9 | 15% | 0.154 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 117.8 | 170.2 | -60.1 | 163.4 | 0 | 0 | 0 | 108.9 | R175 C210 A239 N240 Q242 | I173-R175 HydrophobicContact CG2-CG 3.98Å; I173-C210 CarbonylContact C-O 3.56Å; I173-C210 WeakPolarHBondContact CA-O 3.38Å; I173-A239 CarbonylContact O-C 3.52Å; I173-A239 WeakPolarHBondContact O-CA 3.41Å; I173-N240 PolarHBondContact N-O 3.1Å; I173-N240 PolarHBondContact O-N 3.29Å; I173-Q242 HydrophobicContact CD1-CB 4.1Å; I173-Q242 VanDerWaalsContact CD1-CD 3.4Å; I173-Q242 HydrophobicContact CD1-CG 3.78Å; I173-Q242 HydrophobicContact CG1-CB 4.11Å; I173-Q242 HydrophobicContact CG1-CG 4.16Å |
| 174 | I | 89.5 | Confident | 76.3 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 137.7 | 171 | -58.6 | -170.1 | 0 | 0 | 0 | 109.9 | L172 L177 F190 S209 C210 L212 V237 R238 | L172-I174 HydrophobicContact CD2-CD1 4.33Å; L172-I174 HydrophobicContact CD2-CG1 4.16Å; L172-I174 HydrophobicContact CG-CG1 4.27Å; I174-L177 HydrophobicContact CB-CD1 4.42Å; I174-L177 HydrophobicContact CG2-CD1 3.89Å; I174-L177 HydrophobicContact CG2-CD2 3.87Å; I174-L177 HydrophobicContact CG2-CG 3.89Å; I174-F190 HydrophobicContact CD1-CD1 4.23Å; I174-F190 HydrophobicContact CD1-CD2 4.01Å; I174-F190 HydrophobicContact CD1-CE1 3.82Å; I174-F190 HydrophobicContact CD1-CE2 3.57Å; I174-F190 HydrophobicContact CD1-CG 4.32Å; I174-F190 HydrophobicContact CD1-CZ 3.47Å; I174-F190 VanDerWaalsContact CD1-CZ 3.47Å; I174-S209 CarbonylContact O-C 3.13Å; I174-S209 WeakPolarHBondContact O-CA 3.46Å; I174-S209 VanDerWaalsContact O-CB 3.29Å; I174-S209 WeakPolarHBondContact O-CB 3.26Å; I174-C210 PolarHBondContact N-O 3.22Å; I174-C210 PolarHBondContact O-N 3.36Å; I174-L212 HydrophobicContact CD1-CD1 3.32Å; I174-L212 HydrophobicContact CD1-CG 3.88Å; I174-L212 HydrophobicContact CG1-CD1 4.15Å; I174-L212 HydrophobicContact CG1-CG 4.29Å; I174-V237 HydrophobicContact CG2-CG1 3.34Å; I174-R238 CarbonylContact C-O 3.57Å; I174-R238 WeakPolarHBondContact CA-O 3.22Å |
| 175 | R | 90.1 | Very high | 78.6 | Confident | 137 Ų | 137 | 50.5 Ų | 50.5 | 52% | 0.517 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 167.8 | 179.7 | -59.8 | -173 | 175.3 | -168.5 | -0.7 | 111.2 | I173 L177 G208 R238 | I173-R175 HydrophobicContact CG2-CG 3.98Å; R175-L177 VanDerWaalsContact C-N 3.32Å; R175-G208 CarbonylContact C-O 3.51Å; R175-R238 HydrophobicContact CB-CB 4.32Å; R175-R238 PolarHBondContact N-O 3.2Å; R175-R238 PolarHBondContact O-N 2.91Å |
| 176 | N | 88.2 | Confident | 80.5 | Confident | 62 Ų | 62 | 49.8 Ų | 49.8 | 33% | 0.332 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 66.9 | 32.2 | -179.3 | -164.7 | 40.6 | 0 | 0 | 0 | 113.3 | G208 R235 L236 R238 | N176-G208 PolarHBondContact N-O 3.03Å; N176-R235 PolarHBondContact OD1-NH2 3.21Å; N176-L236 PolarHBondContact ND2-O 2.78Å; N176-R238 HydrophobicContact CB-CG 4.41Å |
| 177 | L | 89.7 | Confident | 82.5 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | trans | -79.7 | 144.8 | 174.6 | -64.7 | 173.2 | 0 | 0 | 0 | 110.6 | I174 R175 Y179 L181 I186 F206 G208 C210 I232 V237 | I174-L177 HydrophobicContact CB-CD1 4.42Å; I174-L177 HydrophobicContact CG2-CD1 3.89Å; I174-L177 HydrophobicContact CG2-CD2 3.87Å; I174-L177 HydrophobicContact CG2-CG 3.89Å; R175-L177 VanDerWaalsContact C-N 3.32Å; L177-Y179 PolarHBondContact O-N 3.32Å; L177-L181 HydrophobicContact CB-CD1 4.05Å; L177-L181 HydrophobicContact CD2-CD1 4.25Å; L177-I186 HydrophobicContact CD1-CD1 4.01Å; L177-I186 HydrophobicContact CD1-CG1 4.49Å; L177-F206 HydrophobicContact CB-CE1 3.98Å; L177-F206 HydrophobicContact CB-CZ 4Å; L177-F206 HydrophobicContact CD1-CZ 3.96Å; L177-G208 PolarHBondContact N-O 3.17Å; L177-G208 VanDerWaalsContact O-CA 3.31Å; L177-G208 WeakPolarHBondContact O-CA 3.48Å; L177-C210 HydrophobicContact CD1-CB 4.25Å; L177-C210 VanDerWaalsContact CD1-SG 3.57Å; L177-I232 HydrophobicContact CD2-CD1 3.8Å; L177-V237 HydrophobicContact CD2-CG2 4.26Å | ||
| 178 | P | 85.6 | Confident | 84.4 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | trans | -49.3 | 134.1 | 167.6 | -27.6 | 30.2 | 0 | 0 | 0 | 112.7 | S180 L181 F206 I232 N233 | P178-S180 PolarHBondContact O-N 3.16Å; P178-L181 HydrophobicContact CB-CD1 3.98Å; P178-L181 HydrophobicContact CB-CG 4.16Å; P178-L181 VanDerWaalsContact CD-CD1 3.48Å; P178-L181 HydrophobicContact CG-CD1 3.86Å; P178-L181 HydrophobicContact CG-CG 4.43Å; P178-L181 WeakPolarHBondContact O-CB 3.31Å; P178-L181 PolarHBondContact O-N 3.4Å; P178-F206 WeakPolarHBondContact O-CE1 3.05Å; P178-I232 HydrophobicContact CG-CG2 4.16Å; P178-I232 WeakPolarHBondContact CG-O 3.18Å; P178-N233 HydrophobicContact CB-CB 4.47Å; P178-N233 HydrophobicContact CG-CB 3.77Å | ||
| 179 | Y | 85.2 | Confident | 85.8 | Confident | 145 Ų | 145 | 53 Ų | 53 | 57% | 0.569 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -17.7 | -177.8 | -61.2 | -67 | 0 | 0 | 0 | 113.9 | L177 L181 F206 N207 | L177-Y179 PolarHBondContact O-N 3.32Å; Y179-L181 VanDerWaalsContact C-N 3.34Å; Y179-F206 WeakPolarHBondContact CD1-O 3.04Å; Y179-N207 WeakPolarHBondContact CE1-O 3.21Å |
| 180 | S | 81.6 | Confident | 86.9 | Confident | 88 Ų | 88 | 49.3 Ų | 49.3 | 62% | 0.615 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -10.5 | 177.7 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | P178 | P178-S180 PolarHBondContact O-N 3.16Š|
| 181 | L | 84.4 | Confident | 87.2 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | trans | -68.4 | 136 | -176 | -85.5 | 162.7 | 0 | 0 | 0 | 112.1 | L177 P178 Y179 E185 I186 F206 I232 | L177-L181 HydrophobicContact CB-CD1 4.05Å; L177-L181 HydrophobicContact CD2-CD1 4.25Å; P178-L181 HydrophobicContact CB-CD1 3.98Å; P178-L181 HydrophobicContact CB-CG 4.16Å; P178-L181 VanDerWaalsContact CD-CD1 3.48Å; P178-L181 HydrophobicContact CG-CD1 3.86Å; P178-L181 HydrophobicContact CG-CG 4.43Å; P178-L181 WeakPolarHBondContact O-CB 3.31Å; P178-L181 PolarHBondContact O-N 3.4Å; Y179-L181 VanDerWaalsContact C-N 3.34Å; L181-E185 WeakPolarHBondContact CA-OE2 3.06Å; L181-E185 HydrophobicContact CD2-CB 3.58Å; L181-I186 HydrophobicContact CB-CD1 3.96Å; L181-I186 HydrophobicContact CB-CG1 4.01Å; L181-I186 HydrophobicContact CD1-CG1 4.22Å; L181-I186 HydrophobicContact CD2-CG1 4.29Å; L181-I186 HydrophobicContact CG-CG1 4.42Å; L181-F206 HydrophobicContact CB-CE1 4.26Å; L181-I232 HydrophobicContact CD1-CG2 3.85Å; L181-I232 HydrophobicContact CD2-CG2 4.36Å | ||
| 182 | T | 84.1 | Confident | 87.2 | Confident | 27 Ų | 27 | 56.4 Ų | 56.4 | 17% | 0.166 | 29% | 0.287 | C | S | . | . | trans | -94.1 | 166.1 | 173 | 59.3 | 0 | 0 | 0 | 0 | 111.6 | T184 E185 I186 | T182-T184 PolarHBondContact O-N 3.18Å; T182-T184 PolarHBondContact OG1-OG1 3.2Å; T182-E185 PolarHBondContact N-OE2 2.83Å; T182-E185 PolarHBondContact O-N 3.04Å; T182-E185 VanDerWaalsContact OG1-CG 3.22Å; T182-E185 WeakPolarHBondContact OG1-CG 3.38Å; T182-E185 PolarHBondContact OG1-N 2.91Å; T182-E185 PolarHBondContact OG1-OE2 3.35Å; T182-I186 WeakPolarHBondContact O-CG1 3.36Å; T182-I186 PolarHBondContact O-N 3.49Å | ||
| 183 | A | 83.9 | Confident | 87.2 | Confident | 35 Ų | 35 | 56.5 Ų | 56.5 | 29% | 0.289 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.7 | -33.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K187 L198 | A183-K187 WeakPolarHBondContact O-CB 3.08Å; A183-K187 PolarHBondContact O-N 2.97Å; A183-L198 HydrophobicContact CB-CD1 3.72Å; A183-L198 HydrophobicContact CB-CG 4.12Å |
| 184 | T | 85.6 | Confident | 87.1 | Confident | 74 Ų | 74 | 59.4 Ų | 59.4 | 45% | 0.454 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.5 | -50 | 177.9 | 45.9 | 0 | 0 | 0 | 0 | 111.3 | T182 I186 K187 E188 | T182-T184 PolarHBondContact O-N 3.18Å; T182-T184 PolarHBondContact OG1-OG1 3.2Å; T184-I186 VanDerWaalsContact C-N 3.28Å; T184-I186 PolarHBondContact O-N 2.85Å; T184-K187 CarbonylContact O-C 3.48Å; T184-K187 WeakPolarHBondContact O-CA 3.07Å; T184-K187 WeakPolarHBondContact O-CB 3.45Å; T184-K187 PolarHBondContact O-N 3.48Å; T184-E188 WeakPolarHBondContact O-CG 3.47Å; T184-E188 PolarHBondContact O-N 3.45Å |
| 185 | E | 87.7 | Confident | 86.9 | Confident | 74 Ų | 74 | 65.5 Ų | 65.5 | 35% | 0.346 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62 | -37 | 176.9 | -68.4 | 164.7 | 153.8 | 0 | 0 | 111.6 | L181 T182 K187 E188 H189 | L181-E185 WeakPolarHBondContact CA-OE2 3.06Å; L181-E185 HydrophobicContact CD2-CB 3.58Å; T182-E185 PolarHBondContact N-OE2 2.83Å; T182-E185 PolarHBondContact O-N 3.04Å; T182-E185 VanDerWaalsContact OG1-CG 3.22Å; T182-E185 WeakPolarHBondContact OG1-CG 3.38Å; T182-E185 PolarHBondContact OG1-N 2.91Å; T182-E185 PolarHBondContact OG1-OE2 3.35Å; E185-K187 VanDerWaalsContact C-N 3.32Å; E185-K187 PolarHBondContact O-N 2.95Å; E185-E188 WeakPolarHBondContact O-CB 3.29Å; E185-E188 PolarHBondContact O-N 3.41Å; E185-H189 PolarHBondContact O-CD2 2.85Å; E185-H189 PolarHBondContact O-N 3.18Å; E185-H189 VanDerWaalsContact O-N 3.08Å |
| 186 | I | 89.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 174.3 | -70.6 | 166.6 | 0 | 0 | 0 | 110.8 | L177 L181 T182 T184 E188 H189 F190 V196 L198 F206 L212 | L177-I186 HydrophobicContact CD1-CD1 4.01Å; L177-I186 HydrophobicContact CD1-CG1 4.49Å; L181-I186 HydrophobicContact CB-CD1 3.96Å; L181-I186 HydrophobicContact CB-CG1 4.01Å; L181-I186 HydrophobicContact CD1-CG1 4.22Å; L181-I186 HydrophobicContact CD2-CG1 4.29Å; L181-I186 HydrophobicContact CG-CG1 4.42Å; T182-I186 WeakPolarHBondContact O-CG1 3.36Å; T182-I186 PolarHBondContact O-N 3.49Å; T184-I186 VanDerWaalsContact C-N 3.28Å; T184-I186 PolarHBondContact O-N 2.85Å; I186-E188 VanDerWaalsContact C-N 3.33Å; I186-H189 PolarHBondContact O-N 2.99Å; I186-F190 HydrophobicContact CG2-CD2 4.08Å; I186-F190 WeakPolarHBondContact O-CD2 3.31Å; I186-F190 PolarHBondContact O-N 2.97Å; I186-V196 HydrophobicContact CB-CG1 4.21Å; I186-V196 HydrophobicContact CG2-CG1 3.6Å; I186-V196 HydrophobicContact CG2-CG2 4.42Å; I186-L198 HydrophobicContact CD1-CD1 4.33Å; I186-L198 HydrophobicContact CD1-CD2 3.32Å; I186-F206 HydrophobicContact CD1-CE1 4.39Å; I186-F206 HydrophobicContact CD1-CE2 4.47Å; I186-F206 HydrophobicContact CD1-CZ 3.88Å; I186-L212 HydrophobicContact CG2-CD2 4.2Å |
| 187 | K | 88.7 | Confident | 86.7 | Confident | 95 Ų | 95 | 58.7 Ų | 58.7 | 41% | 0.413 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.1 | -31.4 | 176.6 | -165.6 | 157.1 | -178 | 169.2 | 0 | 112.2 | A183 T184 E185 F190 P191 A193 N194 V196 | A183-K187 WeakPolarHBondContact O-CB 3.08Å; A183-K187 PolarHBondContact O-N 2.97Å; T184-K187 CarbonylContact O-C 3.48Å; T184-K187 WeakPolarHBondContact O-CA 3.07Å; T184-K187 WeakPolarHBondContact O-CB 3.45Å; T184-K187 PolarHBondContact O-N 3.48Å; E185-K187 VanDerWaalsContact C-N 3.32Å; E185-K187 PolarHBondContact O-N 2.95Å; K187-F190 CarbonylContact O-C 3.59Å; K187-F190 PolarHBondContact O-N 2.99Å; K187-P191 WeakPolarHBondContact O-CA 3.22Å; K187-A193 WeakPolarHBondContact CE-O 3.15Å; K187-N194 PolarHBondContact NZ-O 3.41Å; K187-V196 HydrophobicContact CB-CG2 4.12Å; K187-V196 HydrophobicContact CD-CG2 4.43Å; K187-V196 HydrophobicContact CG-CG2 4.38Å |
| 188 | E | 89.4 | Confident | 86.6 | Confident | 150 Ų | 150 | 59.6 Ų | 59.6 | 70% | 0.701 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.1 | -39.4 | 170.5 | -70.1 | 170.7 | -174.6 | 0 | 0 | 111.9 | T184 E185 I186 F190 | T184-E188 WeakPolarHBondContact O-CG 3.47Å; T184-E188 PolarHBondContact O-N 3.45Å; E185-E188 WeakPolarHBondContact O-CB 3.29Å; E185-E188 PolarHBondContact O-N 3.41Å; I186-E188 VanDerWaalsContact C-N 3.33Å; E188-F190 VanDerWaalsContact C-N 3.34Å |
| 189 | H | 88.7 | Confident | 86.5 | Confident | 62 Ų | 62 | 60.2 Ų | 60.2 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.6 | -25.4 | 173.9 | -72.3 | -58.9 | 0 | 0 | 0 | 113.5 | E185 I186 K230 I232 | E185-H189 PolarHBondContact O-CD2 2.85Å; E185-H189 PolarHBondContact O-N 3.18Å; E185-H189 VanDerWaalsContact O-N 3.08Å; I186-H189 PolarHBondContact O-N 2.99Å; H189-K230 PolarHBondContact O-NZ 2.91Å; H189-I232 HydrophobicContact CB-CD1 4.19Å |
| 190 | F | 89.4 | Confident | 86.3 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.009 | 30% | 0.302 | C | S | . | . | trans | -131.6 | 71 | -178.7 | -58.2 | -73.1 | 0 | 0 | 0 | 110.6 | I174 I186 K187 E188 M192 A193 L212 V223 C227 K230 I232 V237 | I174-F190 HydrophobicContact CD1-CD1 4.23Å; I174-F190 HydrophobicContact CD1-CD2 4.01Å; I174-F190 HydrophobicContact CD1-CE1 3.82Å; I174-F190 HydrophobicContact CD1-CE2 3.57Å; I174-F190 HydrophobicContact CD1-CG 4.32Å; I174-F190 HydrophobicContact CD1-CZ 3.47Å; I174-F190 VanDerWaalsContact CD1-CZ 3.47Å; I186-F190 HydrophobicContact CG2-CD2 4.08Å; I186-F190 WeakPolarHBondContact O-CD2 3.31Å; I186-F190 PolarHBondContact O-N 2.97Å; K187-F190 CarbonylContact O-C 3.59Å; K187-F190 PolarHBondContact O-N 2.99Å; E188-F190 VanDerWaalsContact C-N 3.34Å; F190-M192 PolarHBondContact O-N 3.43Å; F190-A193 HydrophobicContact CB-CB 4.35Å; F190-A193 VanDerWaalsContact O-CB 3.28Å; F190-A193 WeakPolarHBondContact O-CB 3.46Å; F190-A193 PolarHBondContact O-N 2.93Å; F190-L212 HydrophobicContact CB-CD1 3.71Å; F190-L212 HydrophobicContact CB-CD2 4.48Å; F190-L212 HydrophobicContact CD1-CD1 4.04Å; F190-L212 HydrophobicContact CD2-CD1 4Å; F190-L212 HydrophobicContact CG-CD1 3.63Å; F190-V223 HydrophobicContact CD1-CG1 3.88Å; F190-V223 HydrophobicContact CE1-CG1 4.25Å; F190-C227 VanDerWaalsContact CE1-SG 3.55Å; F190-K230 HydrophobicContact CE1-CD 3.95Å; F190-K230 HydrophobicContact CZ-CD 4.06Å; F190-I232 HydrophobicContact CE2-CD1 4.16Å; F190-I232 HydrophobicContact CZ-CD1 4.36Å; F190-V237 HydrophobicContact CZ-CG1 4.25Å | ||
| 191 | P | 88.5 | Confident | 86.3 | Confident | 99 Ų | 99 | 54.9 Ų | 54.9 | 64% | 0.643 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -25.6 | -173.4 | 25.7 | -34.2 | 0 | 0 | 0 | 113 | K187 A193 | K187-P191 WeakPolarHBondContact O-CA 3.22Å; P191-A193 PolarHBondContact O-N 2.75Å |
| 192 | M | 86.1 | Confident | 85.9 | Confident | 91 Ų | 91 | 62.4 Ų | 62.4 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -12.6 | 175.3 | -67.1 | 175.5 | 172.7 | 0 | 0 | 113.2 | F190 N194 M214 V222 V223 | F190-M192 PolarHBondContact O-N 3.43Å; M192-N194 PolarHBondContact O-N 3.35Å; M192-M214 HydrophobicContact CB-CE 3.54Å; M192-M214 WeakPolarHBondContact O-CE 3.48Å; M192-V222 HydrophobicContact CE-CG1 4.34Å; M192-V222 HydrophobicContact SD-CG1 4.35Å; M192-V223 HydrophobicContact CB-CG2 4.21Å; M192-V223 HydrophobicContact SD-CG2 4.05Å |
| 193 | A | 87.1 | Confident | 85.1 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 2% | 0.017 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 121 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | K187 F190 P191 V196 L212 M214 | K187-A193 WeakPolarHBondContact CE-O 3.15Å; F190-A193 HydrophobicContact CB-CB 4.35Å; F190-A193 VanDerWaalsContact O-CB 3.28Å; F190-A193 WeakPolarHBondContact O-CB 3.46Å; F190-A193 PolarHBondContact O-N 2.93Å; P191-A193 PolarHBondContact O-N 2.75Å; A193-V196 HydrophobicContact CB-CG2 4.27Å; A193-L212 HydrophobicContact CB-CB 4.06Å; A193-L212 HydrophobicContact CB-CD1 4.28Å; A193-L212 HydrophobicContact CB-CD2 3.97Å; A193-L212 HydrophobicContact CB-CG 4.34Å; A193-M214 HydrophobicContact CB-SD 4.16Å |
| 194 | N | 86.3 | Confident | 84.6 | Confident | 91 Ų | 91 | 62.5 Ų | 62.5 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | -51.1 | 175.1 | -172.1 | 12.2 | 0 | 0 | 0 | 109.9 | K187 M192 E213 | K187-N194 PolarHBondContact NZ-O 3.41Å; M192-N194 PolarHBondContact O-N 3.35Å; N194-E213 WeakPolarHBondContact CB-O 3.46Å; N194-E213 PolarHBondContact N-O 2.61Å |
| 195 | R | 84.6 | Confident | 84.2 | Confident | 128 Ų | 128 | 60 Ų | 60 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 147.3 | 176.6 | -77.8 | 178.1 | 158.8 | -166.2 | -5.9 | 112.2 | E213 | R195-E213 HydrophobicContact CB-CB 4.07Å; R195-E213 WeakPolarHBondContact CD-OE2 3.44Å; R195-E213 PolarHBondContact N-O 3.48Å; R195-E213 PolarHBondContact O-N 3.3Å |
| 196 | V | 88 | Confident | 84.1 | Confident | 24 Ų | 24 | 56.7 Ų | 56.7 | 15% | 0.145 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 114.2 | 177 | -178.7 | 0 | 0 | 0 | 0 | 108.6 | I186 K187 A193 L198 C210 L212 | I186-V196 HydrophobicContact CB-CG1 4.21Å; I186-V196 HydrophobicContact CG2-CG1 3.6Å; I186-V196 HydrophobicContact CG2-CG2 4.42Å; K187-V196 HydrophobicContact CB-CG2 4.12Å; K187-V196 HydrophobicContact CD-CG2 4.43Å; K187-V196 HydrophobicContact CG-CG2 4.38Å; A193-V196 HydrophobicContact CB-CG2 4.27Å; V196-L198 HydrophobicContact CG1-CD2 3.66Å; V196-L198 HydrophobicContact CG1-CG 4.44Å; V196-C210 HydrophobicContact CG1-CB 4.38Å; V196-L212 HydrophobicContact CB-CD2 4.38Å; V196-L212 HydrophobicContact CG1-CD2 4.11Å; V196-L212 HydrophobicContact CG2-CD2 3.84Å |
| 197 | H | 86.7 | Confident | 84 | Confident | 33 Ų | 33 | 60.1 Ų | 60.1 | 15% | 0.153 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 110.5 | 174.8 | -66.1 | -72.2 | 0 | 0 | 0 | 109.7 | C210 T211 E213 | H197-C210 CarbonylContact O-C 3.56Å; H197-C210 WeakPolarHBondContact O-CA 3.45Å; H197-C210 WeakPolarHBondContact O-CB 3.45Å; H197-T211 PolarHBondContact N-O 2.77Å; H197-T211 PolarHBondContact O-N 3.08Å; H197-E213 IonicContact NE2-OE2 3.95Å |
| 198 | L | 86.2 | Confident | 83.9 | Confident | 19 Ų | 19 | 55.8 Ų | 55.8 | 10% | 0.099 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 132.5 | 178.9 | -61.5 | -165.5 | 0 | 0 | 0 | 111.1 | Y151 A183 I186 V196 V200 F206 C210 | Y151-L198 HydrophobicContact CE1-CB 3.6Å; Y151-L198 HydrophobicContact CE1-CD1 3.66Å; Y151-L198 HydrophobicContact CE1-CG 3.68Å; Y151-L198 HydrophobicContact CE2-CB 4.37Å; Y151-L198 WeakPolarHBondContact OH-CB 3.45Å; Y151-L198 WeakPolarHBondContact OH-CD1 3.12Å; Y151-L198 VanDerWaalsContact OH-CG 3.26Å; Y151-L198 WeakPolarHBondContact OH-CG 3.39Å; A183-L198 HydrophobicContact CB-CD1 3.72Å; A183-L198 HydrophobicContact CB-CG 4.12Å; I186-L198 HydrophobicContact CD1-CD1 4.33Å; I186-L198 HydrophobicContact CD1-CD2 3.32Å; V196-L198 HydrophobicContact CG1-CD2 3.66Å; V196-L198 HydrophobicContact CG1-CG 4.44Å; L198-V200 PolarHBondContact O-N 3.03Å; L198-F206 HydrophobicContact CB-CD2 3.9Å; L198-F206 HydrophobicContact CB-CE2 3.94Å; L198-F206 HydrophobicContact CD1-CD2 4.35Å; L198-F206 HydrophobicContact CD1-CE2 4.41Å; L198-F206 HydrophobicContact CD2-CD2 4.46Å; L198-F206 HydrophobicContact CD2-CE2 3.82Å; L198-F206 HydrophobicContact CD2-CZ 4.35Å; L198-F206 HydrophobicContact CG-CD2 4.45Å; L198-F206 HydrophobicContact CG-CE2 4.27Å; L198-C210 HydrophobicContact CD2-CB 3.55Å |
| 199 | G | 84.2 | Confident | 83.9 | Confident | 19 Ų | 19 | 49.9 Ų | 49.9 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 111.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | F206 N207 S209 | G199-F206 WeakPolarHBondContact O-CD2 3.47Å; G199-N207 PolarHBondContact O-N 2.92Å; G199-N207 PolarHBondContact O-OD1 2.77Å; G199-S209 WeakPolarHBondContact CA-O 3.3Å; G199-S209 PolarHBondContact N-O 2.96Å |
| 200 | V | 81.5 | Confident | 83.9 | Confident | 60 Ų | 60 | 47 Ų | 47 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 151.5 | 174.1 | -68.9 | 0 | 0 | 0 | 0 | 111.6 | Y151 L198 G204 I205 | Y151-V200 HydrophobicContact CD2-CG1 4.09Å; Y151-V200 HydrophobicContact CE2-CG1 3.34Å; L198-V200 PolarHBondContact O-N 3.03Å; V200-G204 WeakPolarHBondContact CG1-O 3.07Å; V200-I205 CarbonylContact C-O 3.6Å; V200-I205 VanDerWaalsContact CA-O 3.31Å; V200-I205 WeakPolarHBondContact CA-O 3.2Å |
| 201 | N | 80.9 | Confident | 84 | Confident | 61 Ų | 61 | 47.9 Ų | 47.9 | 33% | 0.326 | 25% | 0.254 | S | S | . | . | trans | -78 | 179.9 | 168.7 | 72.8 | 11.9 | 0 | 0 | 0 | 111 | F203 G204 I205 | N201-F203 PolarHBondContact O-N 3.24Å; N201-F203 VanDerWaalsContact OD1-CA 3.32Å; N201-F203 WeakPolarHBondContact OD1-CA 3.33Å; N201-F203 WeakPolarHBondContact OD1-CB 2.76Å; N201-F203 PolarHBondContact OD1-N 3.37Å; N201-G204 PolarHBondContact O-N 2.82Å; N201-G204 PolarHBondContact OD1-N 2.98Å; N201-I205 PolarHBondContact N-O 3.03Å; N201-I205 PolarHBondContact OD1-N 3.36Å; N201-I205 PolarHBondContact OD1-O 2.95Å | ||
| 202 | K | 76.3 | Confident | 84 | Confident | 165 Ų | 165 | 43.1 Ų | 43.1 | 72% | 0.717 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -7.6 | 177.1 | 64.7 | -178.2 | 177.1 | 178 | 0 | 115.4 | ||
| 203 | F | 67.8 | Low | 84.1 | Confident | 44 Ų | 44 | 41.8 Ų | 41.8 | 19% | 0.193 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | 5.2 | 177.6 | -56.5 | -75.5 | 0 | 0 | 0 | 112.1 | L82 V148 N201 I205 | L82-F203 HydrophobicContact CD1-CB 4.49Å; L82-F203 HydrophobicContact CD1-CD1 4.09Å; L82-F203 HydrophobicContact CD1-CG 4.43Å; L82-F203 HydrophobicContact CD2-CB 4.21Å; L82-F203 HydrophobicContact CD2-CG 4.3Å; V148-F203 WeakPolarHBondContact CG1-O 3.41Å; N201-F203 PolarHBondContact O-N 3.24Å; N201-F203 VanDerWaalsContact OD1-CA 3.32Å; N201-F203 WeakPolarHBondContact OD1-CA 3.33Å; N201-F203 WeakPolarHBondContact OD1-CB 2.76Å; N201-F203 PolarHBondContact OD1-N 3.37Å; F203-I205 VanDerWaalsContact C-N 3.29Å; F203-I205 HydrophobicContact CB-CG1 4.5Å; F203-I205 PolarHBondContact O-N 3Å |
| 204 | G | 73.5 | Confident | 84 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 79.3 | 5.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V200 N201 | V200-G204 WeakPolarHBondContact CG1-O 3.07Å; N201-G204 PolarHBondContact O-N 2.82Å; N201-G204 PolarHBondContact OD1-N 2.98Å |
| 205 | I | 76.3 | Confident | 84 | Confident | 23 Ų | 23 | 45.1 Ų | 45.1 | 12% | 0.118 | 23% | 0.226 | C | C | . | . | trans | -83.5 | 134.7 | 179 | -59.8 | 172.5 | 0 | 0 | 0 | 109.3 | L82 Q146 V148 V200 N201 F203 N207 | L82-I205 HydrophobicContact CB-CD1 4.23Å; L82-I205 HydrophobicContact CD2-CD1 3.32Å; L82-I205 HydrophobicContact CD2-CG1 4.49Å; L82-I205 HydrophobicContact CG-CD1 4.39Å; Q146-I205 HydrophobicContact CB-CD1 4.5Å; V148-I205 HydrophobicContact CG2-CD1 4.39Å; V148-I205 HydrophobicContact CG2-CG1 3.89Å; V200-I205 CarbonylContact C-O 3.6Å; V200-I205 VanDerWaalsContact CA-O 3.31Å; V200-I205 WeakPolarHBondContact CA-O 3.2Å; N201-I205 PolarHBondContact N-O 3.03Å; N201-I205 PolarHBondContact OD1-N 3.36Å; N201-I205 PolarHBondContact OD1-O 2.95Å; F203-I205 VanDerWaalsContact C-N 3.29Å; F203-I205 HydrophobicContact CB-CG1 4.5Å; F203-I205 PolarHBondContact O-N 3Å; I205-N207 PolarHBondContact O-N 2.82Å | ||
| 206 | F | 86.2 | Confident | 84 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 127.7 | 175.4 | -176.7 | -127.4 | 0 | 0 | 0 | 111.2 | L177 P178 Y179 L181 I186 L198 G199 S209 | L177-F206 HydrophobicContact CB-CE1 3.98Å; L177-F206 HydrophobicContact CB-CZ 4Å; L177-F206 HydrophobicContact CD1-CZ 3.96Å; P178-F206 WeakPolarHBondContact O-CE1 3.05Å; Y179-F206 WeakPolarHBondContact CD1-O 3.04Å; L181-F206 HydrophobicContact CB-CE1 4.26Å; I186-F206 HydrophobicContact CD1-CE1 4.39Å; I186-F206 HydrophobicContact CD1-CE2 4.47Å; I186-F206 HydrophobicContact CD1-CZ 3.88Å; L198-F206 HydrophobicContact CB-CD2 3.9Å; L198-F206 HydrophobicContact CB-CE2 3.94Å; L198-F206 HydrophobicContact CD1-CD2 4.35Å; L198-F206 HydrophobicContact CD1-CE2 4.41Å; L198-F206 HydrophobicContact CD2-CD2 4.46Å; L198-F206 HydrophobicContact CD2-CE2 3.82Å; L198-F206 HydrophobicContact CD2-CZ 4.35Å; L198-F206 HydrophobicContact CG-CD2 4.45Å; L198-F206 HydrophobicContact CG-CE2 4.27Å; G199-F206 WeakPolarHBondContact O-CD2 3.47Å; F206-S209 WeakPolarHBondContact CE2-O 3.32Å |
| 207 | N | 87.7 | Confident | 83.8 | Confident | 71 Ų | 71 | 49 Ų | 49 | 38% | 0.38 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 8.6 | -175 | 71.8 | 11.3 | 0 | 0 | 0 | 113.3 | Y179 G199 I205 S209 | Y179-N207 WeakPolarHBondContact CE1-O 3.21Å; G199-N207 PolarHBondContact O-N 2.92Å; G199-N207 PolarHBondContact O-OD1 2.77Å; I205-N207 PolarHBondContact O-N 2.82Å; N207-S209 WeakPolarHBondContact OD1-CB 2.91Å; N207-S209 PolarHBondContact OD1-N 3.49Å; N207-S209 PolarHBondContact OD1-O 3.02Å; N207-S209 PolarHBondContact OD1-OG 3.37Å |
| 208 | G | 86.5 | Confident | 83.8 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.1 | 22.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | R175 N176 L177 | R175-G208 CarbonylContact C-O 3.51Å; N176-G208 PolarHBondContact N-O 3.03Å; L177-G208 PolarHBondContact N-O 3.17Å; L177-G208 VanDerWaalsContact O-CA 3.31Å; L177-G208 WeakPolarHBondContact O-CA 3.48Å |
| 209 | S | 89.3 | Confident | 83.7 | Confident | 26 Ų | 26 | 54.6 Ų | 54.6 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 144.1 | 171.8 | 67 | 0 | 0 | 0 | 0 | 111.6 | I174 G199 F206 N207 | I174-S209 CarbonylContact O-C 3.13Å; I174-S209 WeakPolarHBondContact O-CA 3.46Å; I174-S209 VanDerWaalsContact O-CB 3.29Å; I174-S209 WeakPolarHBondContact O-CB 3.26Å; G199-S209 WeakPolarHBondContact CA-O 3.3Å; G199-S209 PolarHBondContact N-O 2.96Å; F206-S209 WeakPolarHBondContact CE2-O 3.32Å; N207-S209 WeakPolarHBondContact OD1-CB 2.91Å; N207-S209 PolarHBondContact OD1-N 3.49Å; N207-S209 PolarHBondContact OD1-O 3.02Å; N207-S209 PolarHBondContact OD1-OG 3.37Å |
| 210 | C | 89.6 | Confident | 83.9 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 157.3 | 173.1 | 69.8 | 0 | 0 | 0 | 0 | 110.5 | I173 I174 L177 V196 H197 L198 | I173-C210 CarbonylContact C-O 3.56Å; I173-C210 WeakPolarHBondContact CA-O 3.38Å; I174-C210 PolarHBondContact N-O 3.22Å; I174-C210 PolarHBondContact O-N 3.36Å; L177-C210 HydrophobicContact CD1-CB 4.25Å; L177-C210 VanDerWaalsContact CD1-SG 3.57Å; V196-C210 HydrophobicContact CG1-CB 4.38Å; H197-C210 CarbonylContact O-C 3.56Å; H197-C210 WeakPolarHBondContact O-CA 3.45Å; H197-C210 WeakPolarHBondContact O-CB 3.45Å; L198-C210 HydrophobicContact CD2-CB 3.55Å |
| 211 | T | 89.8 | Confident | 84 | Confident | 20 Ų | 20 | 55.7 Ų | 55.7 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 126.1 | 163.6 | -58.6 | 0 | 0 | 0 | 0 | 108.7 | V165 C171 L172 H197 | V165-T211 HydrophobicContact CG1-CG2 3.66Å; C171-T211 HydrophobicContact CB-CG2 3.87Å; L172-T211 CarbonylContact O-C 3.55Å; L172-T211 VanDerWaalsContact O-CA 3.31Å; L172-T211 WeakPolarHBondContact O-CA 3.44Å; H197-T211 PolarHBondContact N-O 2.77Å; H197-T211 PolarHBondContact O-N 3.08Å |
| 212 | L | 89.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 132.4 | 168.3 | -54.5 | -175.9 | 0 | 0 | 0 | 109 | C171 L172 I174 I186 F190 A193 V196 M214 V223 | C171-L212 WeakPolarHBondContact CA-O 3.38Å; L172-L212 HydrophobicContact CB-CB 4.33Å; L172-L212 PolarHBondContact N-O 2.76Å; L172-L212 PolarHBondContact O-N 3.24Å; I174-L212 HydrophobicContact CD1-CD1 3.32Å; I174-L212 HydrophobicContact CD1-CG 3.88Å; I174-L212 HydrophobicContact CG1-CD1 4.15Å; I174-L212 HydrophobicContact CG1-CG 4.29Å; I186-L212 HydrophobicContact CG2-CD2 4.2Å; F190-L212 HydrophobicContact CB-CD1 3.71Å; F190-L212 HydrophobicContact CB-CD2 4.48Å; F190-L212 HydrophobicContact CD1-CD1 4.04Å; F190-L212 HydrophobicContact CD2-CD1 4Å; F190-L212 HydrophobicContact CG-CD1 3.63Å; A193-L212 HydrophobicContact CB-CB 4.06Å; A193-L212 HydrophobicContact CB-CD1 4.28Å; A193-L212 HydrophobicContact CB-CD2 3.97Å; A193-L212 HydrophobicContact CB-CG 4.34Å; V196-L212 HydrophobicContact CB-CD2 4.38Å; V196-L212 HydrophobicContact CG1-CD2 4.11Å; V196-L212 HydrophobicContact CG2-CD2 3.84Å; L212-M214 HydrophobicContact CB-SD 4.46Å; L212-V223 HydrophobicContact CD1-CG1 4.29Å |
| 213 | E | 87.3 | Confident | 84.8 | Confident | 62 Ų | 62 | 48.8 Ų | 48.8 | 29% | 0.29 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 117.3 | 170.1 | -172.1 | 178.7 | -169.2 | 0 | 0 | 108.5 | N194 R195 H197 | N194-E213 WeakPolarHBondContact CB-O 3.46Å; N194-E213 PolarHBondContact N-O 2.61Å; R195-E213 HydrophobicContact CB-CB 4.07Å; R195-E213 WeakPolarHBondContact CD-OE2 3.44Å; R195-E213 PolarHBondContact N-O 3.48Å; R195-E213 PolarHBondContact O-N 3.3Å; H197-E213 IonicContact NE2-OE2 3.95Å |
| 214 | M | 86.3 | Confident | 85.7 | Confident | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 148.4 | -179.3 | -55.5 | -60 | -66.8 | 0 | 0 | 110 | N170 M192 A193 L212 D219 L220 V223 | N170-M214 HydrophobicContact CB-CB 4.45Å; N170-M214 WeakPolarHBondContact CB-O 3.33Å; N170-M214 PolarHBondContact O-N 2.73Å; M192-M214 HydrophobicContact CB-CE 3.54Å; M192-M214 WeakPolarHBondContact O-CE 3.48Å; A193-M214 HydrophobicContact CB-SD 4.16Å; L212-M214 HydrophobicContact CB-SD 4.46Å; M214-D219 HydrophobicContact CE-CB 3.48Å; M214-D219 VanDerWaalsContact CE-CB 3.48Å; M214-L220 HydrophobicContact CB-CB 4.34Å; M214-L220 HydrophobicContact CG-CB 4.09Å; M214-L220 HydrophobicContact CG-CD1 3.7Å; M214-V223 HydrophobicContact CE-CB 4.48Å; M214-V223 HydrophobicContact CE-CG2 3.62Å; M214-V223 HydrophobicContact SD-CG2 4.37Å |
| 215 | K | 85.5 | Confident | 86.2 | Confident | 159 Ų | 159 | 50.3 Ų | 50.3 | 69% | 0.691 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -70.4 | -50.2 | 175.1 | -168 | 177.2 | -179.6 | -176.8 | 0 | 110.4 | N170 | N170-K215 PolarHBondContact ND2-O 2.89Å; N170-K215 VanDerWaalsContact ND2-O 3.15Å |
| 216 | N | 85.3 | Confident | 86.7 | Confident | 80 Ų | 80 | 53.3 Ų | 53.3 | 43% | 0.428 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -114.3 | 159.8 | -178.5 | -67.1 | -18.6 | 0 | 0 | 0 | 112.5 | L220 | N216-L220 PolarHBondContact O-N 3.28Š|
| 217 | K | 83.9 | Confident | 86.7 | Confident | 154 Ų | 154 | 53.1 Ų | 53.1 | 67% | 0.67 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -76 | -26.7 | 175.6 | -168.2 | -178.1 | 175.4 | -169.7 | 0 | 112.3 | L220 Q221 | K217-L220 VanDerWaalsContact O-CB 3.32Å; K217-L220 WeakPolarHBondContact O-CB 3.38Å; K217-L220 PolarHBondContact O-N 2.92Å; K217-Q221 PolarHBondContact O-N 3.09Å |
| 218 | D | 85.3 | Confident | 86.4 | Confident | 122 Ų | 122 | 55.5 Ų | 55.5 | 65% | 0.652 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -69.5 | -45.6 | 177.3 | -55.8 | -40.9 | 0 | 0 | 0 | 110.7 | L220 Q221 V222 | D218-L220 PolarHBondContact O-N 3.42Å; D218-Q221 PolarHBondContact O-N 3.28Å; D218-V222 PolarHBondContact O-N 3.3Å |
| 219 | D | 86.1 | Confident | 86.2 | Confident | 47 Ų | 47 | 62.6 Ų | 62.6 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.4 | -37.1 | 173.8 | -54.1 | -23.2 | 0 | 0 | 0 | 111.6 | M214 Q221 V222 V223 | M214-D219 HydrophobicContact CE-CB 3.48Å; M214-D219 VanDerWaalsContact CE-CB 3.48Å; D219-Q221 VanDerWaalsContact C-N 3.32Å; D219-Q221 PolarHBondContact O-N 2.95Å; D219-V222 PolarHBondContact O-N 2.87Å; D219-V223 WeakPolarHBondContact O-CG2 3.46Å; D219-V223 PolarHBondContact O-N 3.23Å |
| 220 | L | 86.6 | Confident | 86.1 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 177.5 | -178.8 | 70.6 | 0 | 0 | 0 | 111.5 | L172 M214 N216 K217 D218 V223 I224 L241 | L172-L220 HydrophobicContact CB-CD1 3.64Å; L172-L220 HydrophobicContact CD1-CD1 4.22Å; L172-L220 HydrophobicContact CG-CD1 4.36Å; M214-L220 HydrophobicContact CB-CB 4.34Å; M214-L220 HydrophobicContact CG-CB 4.09Å; M214-L220 HydrophobicContact CG-CD1 3.7Å; N216-L220 PolarHBondContact O-N 3.28Å; K217-L220 VanDerWaalsContact O-CB 3.32Å; K217-L220 WeakPolarHBondContact O-CB 3.38Å; K217-L220 PolarHBondContact O-N 2.92Å; D218-L220 PolarHBondContact O-N 3.42Å; L220-V223 PolarHBondContact O-N 3.23Å; L220-I224 HydrophobicContact CG-CD1 4.12Å; L220-I224 VanDerWaalsContact O-CD1 3.3Å; L220-I224 WeakPolarHBondContact O-CD1 3.36Å; L220-I224 WeakPolarHBondContact O-CG1 3.33Å; L220-I224 PolarHBondContact O-N 3.14Å; L220-L241 HydrophobicContact CD1-CD1 4.38Å; L220-L241 HydrophobicContact CD2-CD1 3.58Å; L220-L241 HydrophobicContact CG-CD1 3.95Å |
| 221 | Q | 84.5 | Confident | 86 | Confident | 98 Ų | 98 | 70 Ų | 70 | 46% | 0.458 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.1 | -42.1 | 179.5 | -170.1 | 55.6 | 47.3 | 0 | 0 | 111.4 | K217 D218 D219 V223 I224 D225 | K217-Q221 PolarHBondContact O-N 3.09Å; D218-Q221 PolarHBondContact O-N 3.28Å; D219-Q221 VanDerWaalsContact C-N 3.32Å; D219-Q221 PolarHBondContact O-N 2.95Å; Q221-V223 PolarHBondContact O-N 3.06Å; Q221-I224 WeakPolarHBondContact O-CB 3.22Å; Q221-I224 PolarHBondContact O-N 3.31Å; Q221-D225 PolarHBondContact NE2-OD2 2.79Å; Q221-D225 VanDerWaalsContact NE2-OD2 3.12Å; Q221-D225 PolarHBondContact O-N 2.88Å; Q221-D225 VanDerWaalsContact O-N 3.08Å |
| 222 | V | 86.5 | Confident | 85.9 | Confident | 78 Ų | 78 | 69.1 Ų | 69.1 | 47% | 0.473 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.4 | -47.5 | 174.8 | 178 | 0 | 0 | 0 | 0 | 110.9 | M192 D218 D219 I224 D225 E226 | M192-V222 HydrophobicContact CE-CG1 4.34Å; M192-V222 HydrophobicContact SD-CG1 4.35Å; D218-V222 PolarHBondContact O-N 3.3Å; D219-V222 PolarHBondContact O-N 2.87Å; V222-I224 VanDerWaalsContact C-N 3.31Å; V222-I224 PolarHBondContact O-N 3.35Å; V222-D225 PolarHBondContact O-N 3.4Å; V222-E226 PolarHBondContact O-N 2.96Å |
| 223 | V | 87 | Confident | 85.6 | Confident | 2 Ų | 2 | 74.4 Ų | 74.4 | 1% | 0.012 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65 | -34 | 179.1 | 174.6 | 0 | 0 | 0 | 0 | 112.1 | L172 F190 M192 L212 M214 D219 L220 Q221 C227 | L172-V223 HydrophobicContact CD2-CB 4.42Å; L172-V223 HydrophobicContact CD2-CG1 3.64Å; F190-V223 HydrophobicContact CD1-CG1 3.88Å; F190-V223 HydrophobicContact CE1-CG1 4.25Å; M192-V223 HydrophobicContact CB-CG2 4.21Å; M192-V223 HydrophobicContact SD-CG2 4.05Å; L212-V223 HydrophobicContact CD1-CG1 4.29Å; M214-V223 HydrophobicContact CE-CB 4.48Å; M214-V223 HydrophobicContact CE-CG2 3.62Å; M214-V223 HydrophobicContact SD-CG2 4.37Å; D219-V223 WeakPolarHBondContact O-CG2 3.46Å; D219-V223 PolarHBondContact O-N 3.23Å; L220-V223 PolarHBondContact O-N 3.23Å; Q221-V223 PolarHBondContact O-N 3.06Å; V223-C227 VanDerWaalsContact O-CB 3.3Å; V223-C227 WeakPolarHBondContact O-CB 3.46Å; V223-C227 PolarHBondContact O-N 2.96Å; V223-C227 PolarHBondContact O-SG 2.94Å |
| 224 | I | 86.8 | Confident | 85.5 | Confident | 28 Ų | 28 | 79 Ų | 79 | 14% | 0.144 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 175.7 | -73 | 160.2 | 0 | 0 | 0 | 111.2 | L172 L220 Q221 V222 C227 K228 L241 | L172-I224 HydrophobicContact CD1-CD1 4.05Å; L172-I224 HydrophobicContact CD1-CG1 3.56Å; L172-I224 HydrophobicContact CD2-CG1 4.14Å; L220-I224 HydrophobicContact CG-CD1 4.12Å; L220-I224 VanDerWaalsContact O-CD1 3.3Å; L220-I224 WeakPolarHBondContact O-CD1 3.36Å; L220-I224 WeakPolarHBondContact O-CG1 3.33Å; L220-I224 PolarHBondContact O-N 3.14Å; Q221-I224 WeakPolarHBondContact O-CB 3.22Å; Q221-I224 PolarHBondContact O-N 3.31Å; V222-I224 VanDerWaalsContact C-N 3.31Å; V222-I224 PolarHBondContact O-N 3.35Å; I224-C227 WeakPolarHBondContact O-CB 3.46Å; I224-C227 PolarHBondContact O-N 3.18Å; I224-K228 PolarHBondContact O-N 3.01Å; I224-L241 HydrophobicContact CD1-CD1 3.28Å; I224-L241 HydrophobicContact CG1-CD1 4.47Å |
| 225 | D | 85.4 | Confident | 85.4 | Confident | 68 Ų | 68 | 82.5 Ų | 82.5 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.9 | -38.9 | -179.6 | -69.9 | -38.4 | 0 | 0 | 0 | 111 | Q221 V222 C227 K228 | Q221-D225 PolarHBondContact NE2-OD2 2.79Å; Q221-D225 VanDerWaalsContact NE2-OD2 3.12Å; Q221-D225 PolarHBondContact O-N 2.88Å; Q221-D225 VanDerWaalsContact O-N 3.08Å; V222-D225 PolarHBondContact O-N 3.4Å; D225-C227 VanDerWaalsContact C-N 3.34Å; D225-C227 PolarHBondContact O-N 3.49Å; D225-K228 WeakPolarHBondContact O-CB 3.49Å; D225-K228 PolarHBondContact O-N 2.99Å; D225-K228 WeakPolarHBondContact OD1-CE 3.47Å; D225-K228 IonicContact OD1-NZ 3.24Å; D225-K228 PolarHBondContact OD1-NZ 3.05Å |
| 226 | E | 85.9 | Confident | 85.5 | Confident | 85 Ų | 85 | 78 Ų | 78 | 40% | 0.397 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 171.5 | -161 | -168.7 | 155 | 0 | 0 | 111.7 | V222 K228 H229 K230 | V222-E226 PolarHBondContact O-N 2.96Å; E226-K228 PolarHBondContact O-N 3.34Å; E226-H229 PolarHBondContact O-N 3.33Å; E226-K230 WeakPolarHBondContact O-CB 3.34Å; E226-K230 PolarHBondContact O-N 3.47Å; E226-K230 IonicContact OE1-NZ 2.75Å; E226-K230 PolarHBondContact OE1-NZ 3.41Å |
| 227 | C | 86.2 | Confident | 85.6 | Confident | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.007 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.7 | -23.2 | 179.6 | -76.9 | 0 | 0 | 0 | 0 | 114 | F190 V223 I224 D225 H229 V237 A239 | F190-C227 VanDerWaalsContact CE1-SG 3.55Å; V223-C227 VanDerWaalsContact O-CB 3.3Å; V223-C227 WeakPolarHBondContact O-CB 3.46Å; V223-C227 PolarHBondContact O-N 2.96Å; V223-C227 PolarHBondContact O-SG 2.94Å; I224-C227 WeakPolarHBondContact O-CB 3.46Å; I224-C227 PolarHBondContact O-N 3.18Å; D225-C227 VanDerWaalsContact C-N 3.34Å; D225-C227 PolarHBondContact O-N 3.49Å; C227-H229 PolarHBondContact O-N 3.38Å; C227-V237 HydrophobicContact CB-CG1 4.34Å; C227-A239 HydrophobicContact CB-CB 3.51Å |
| 228 | K | 82 | Confident | 85.7 | Confident | 121 Ų | 121 | 74.8 Ų | 74.8 | 53% | 0.526 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -28.4 | -179 | -73.5 | 171.8 | -178.7 | 163.5 | 0 | 112.7 | I224 D225 E226 | I224-K228 PolarHBondContact O-N 3.01Å; D225-K228 WeakPolarHBondContact O-CB 3.49Å; D225-K228 PolarHBondContact O-N 2.99Å; D225-K228 WeakPolarHBondContact OD1-CE 3.47Å; D225-K228 IonicContact OD1-NZ 3.24Å; D225-K228 PolarHBondContact OD1-NZ 3.05Å; E226-K228 PolarHBondContact O-N 3.34Å |
| 229 | H | 81.4 | Confident | 85.7 | Confident | 152 Ų | 152 | 70.4 Ų | 70.4 | 70% | 0.704 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.3 | 4.7 | -175 | -56.4 | -67.3 | 0 | 0 | 0 | 113.4 | E226 C227 Y231 | E226-H229 PolarHBondContact O-N 3.33Å; C227-H229 PolarHBondContact O-N 3.38Å; H229-Y231 WeakPolarHBondContact O-CD2 3.48Å |
| 230 | K | 86.6 | Confident | 85.4 | Confident | 34 Ų | 34 | 71.7 Ų | 71.7 | 15% | 0.148 | 34% | 0.343 | C | S | . | . | trans | -81.6 | 130.2 | -176.5 | -163.2 | 160.9 | -167.1 | 157.7 | 0 | 112.1 | H189 F190 E226 I232 V237 | H189-K230 PolarHBondContact O-NZ 2.91Å; F190-K230 HydrophobicContact CE1-CD 3.95Å; F190-K230 HydrophobicContact CZ-CD 4.06Å; E226-K230 WeakPolarHBondContact O-CB 3.34Å; E226-K230 PolarHBondContact O-N 3.47Å; E226-K230 IonicContact OE1-NZ 2.75Å; E226-K230 PolarHBondContact OE1-NZ 3.41Å; K230-I232 HydrophobicContact CG-CG1 4.5Å; K230-V237 HydrophobicContact CB-CB 4.35Å; K230-V237 HydrophobicContact CB-CG2 4.23Å; K230-V237 HydrophobicContact CG-CG2 4.34Å; K230-V237 WeakPolarHBondContact O-CB 3.43Å; K230-V237 WeakPolarHBondContact O-CG2 3.33Å; K230-V237 PolarHBondContact O-N 2.9Å | ||
| 231 | Y | 87.8 | Confident | 84.7 | Confident | 150 Ų | 150 | 75.2 Ų | 75.2 | 59% | 0.588 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 134.1 | 171.3 | -73.9 | -97.4 | 0 | 0 | 0 | 109.9 | H229 R235 L236 | H229-Y231 WeakPolarHBondContact O-CD2 3.48Å; Y231-R235 WeakPolarHBondContact CA-O 3.38Å; Y231-L236 HydrophobicContact CD1-CB 4.19Å; Y231-L236 HydrophobicContact CD2-CD1 4.25Å; Y231-L236 HydrophobicContact CE1-CB 3.7Å; Y231-L236 HydrophobicContact CE1-CD1 4.21Å; Y231-L236 HydrophobicContact CE2-CD1 3.74Å |
| 232 | I | 87.4 | Confident | 83.7 | Confident | 2 Ų | 2 | 72.4 Ų | 72.4 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 119.4 | 172.3 | -54.9 | 172.1 | 0 | 0 | 0 | 107.6 | L177 P178 L181 H189 F190 K230 N234 R235 V237 | L177-I232 HydrophobicContact CD2-CD1 3.8Å; P178-I232 HydrophobicContact CG-CG2 4.16Å; P178-I232 WeakPolarHBondContact CG-O 3.18Å; L181-I232 HydrophobicContact CD1-CG2 3.85Å; L181-I232 HydrophobicContact CD2-CG2 4.36Å; H189-I232 HydrophobicContact CB-CD1 4.19Å; F190-I232 HydrophobicContact CE2-CD1 4.16Å; F190-I232 HydrophobicContact CZ-CD1 4.36Å; K230-I232 HydrophobicContact CG-CG1 4.5Å; I232-N234 VanDerWaalsContact C-N 3.31Å; I232-N234 PolarHBondContact O-N 3.12Å; I232-R235 PolarHBondContact N-O 3Å; I232-R235 WeakPolarHBondContact O-CB 3.36Å; I232-R235 PolarHBondContact O-N 3.05Å; I232-V237 HydrophobicContact CB-CG2 4.46Å; I232-V237 HydrophobicContact CD1-CG2 3.66Å; I232-V237 HydrophobicContact CG1-CG2 3.76Å |
| 233 | N | 84.9 | Confident | 81.6 | Confident | 110 Ų | 110 | 70.9 Ų | 70.9 | 59% | 0.588 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.7 | 53.2 | -172 | -61.6 | -13.6 | 0 | 0 | 0 | 112.6 | P178 R235 | P178-N233 HydrophobicContact CB-CB 4.47Å; P178-N233 HydrophobicContact CG-CB 3.77Å; N233-R235 PolarHBondContact O-N 3.41Å; N233-R235 VanDerWaalsContact O-N 3.16Å |
| 234 | N | 83.6 | Confident | 79.4 | Confident | 158 Ų | 158 | 79 Ų | 79 | 85% | 0.845 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 18.6 | -179.6 | -60.9 | 17.5 | 0 | 0 | 0 | 115.1 | I232 | I232-N234 VanDerWaalsContact C-N 3.31Å; I232-N234 PolarHBondContact O-N 3.12Å |
| 235 | R | 85.4 | Confident | 77 | Confident | 80 Ų | 80 | 81.2 Ų | 81.2 | 30% | 0.302 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 125.6 | 173.5 | -57.3 | -177.9 | 83.9 | 158.4 | 2 | 110.1 | N176 Y231 I232 N233 V237 | N176-R235 PolarHBondContact OD1-NH2 3.21Å; Y231-R235 WeakPolarHBondContact CA-O 3.38Å; I232-R235 PolarHBondContact N-O 3Å; I232-R235 WeakPolarHBondContact O-CB 3.36Å; I232-R235 PolarHBondContact O-N 3.05Å; N233-R235 PolarHBondContact O-N 3.41Å; N233-R235 VanDerWaalsContact O-N 3.16Å; R235-V237 PolarHBondContact O-N 2.93Å |
| 236 | L | 86.4 | Confident | 74.7 | Confident | 65 Ų | 65 | 85.7 Ų | 85.7 | 34% | 0.34 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 123.8 | 174.7 | -178.9 | 68.4 | 0 | 0 | 0 | 109.9 | N176 Y231 | N176-L236 PolarHBondContact ND2-O 2.78Å; Y231-L236 HydrophobicContact CD1-CB 4.19Å; Y231-L236 HydrophobicContact CD2-CD1 4.25Å; Y231-L236 HydrophobicContact CE1-CB 3.7Å; Y231-L236 HydrophobicContact CE1-CD1 4.21Å; Y231-L236 HydrophobicContact CE2-CD1 3.74Å |
| 237 | V | 88.9 | Confident | 72.4 | Confident | 5 Ų | 5 | 85.1 Ų | 85.1 | 3% | 0.03 | 42% | 0.416 | C | S | . | . | trans | -70.4 | 138.2 | 177.3 | 179.6 | 0 | 0 | 0 | 0 | 109.8 | I174 L177 F190 C227 K230 I232 R235 | I174-V237 HydrophobicContact CG2-CG1 3.34Å; L177-V237 HydrophobicContact CD2-CG2 4.26Å; F190-V237 HydrophobicContact CZ-CG1 4.25Å; C227-V237 HydrophobicContact CB-CG1 4.34Å; K230-V237 HydrophobicContact CB-CB 4.35Å; K230-V237 HydrophobicContact CB-CG2 4.23Å; K230-V237 HydrophobicContact CG-CG2 4.34Å; K230-V237 WeakPolarHBondContact O-CB 3.43Å; K230-V237 WeakPolarHBondContact O-CG2 3.33Å; K230-V237 PolarHBondContact O-N 2.9Å; I232-V237 HydrophobicContact CB-CG2 4.46Å; I232-V237 HydrophobicContact CD1-CG2 3.66Å; I232-V237 HydrophobicContact CG1-CG2 3.76Å; R235-V237 PolarHBondContact O-N 2.93Å | ||
| 238 | R | 85.3 | Confident | 70 | Confident | 160 Ų | 160 | 94.4 Ų | 94.4 | 60% | 0.604 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 105.9 | 176.6 | -66.7 | -176.1 | 67.4 | -177.2 | 2 | 110.8 | I174 R175 N176 | I174-R238 CarbonylContact C-O 3.57Å; I174-R238 WeakPolarHBondContact CA-O 3.22Å; R175-R238 HydrophobicContact CB-CB 4.32Å; R175-R238 PolarHBondContact N-O 3.2Å; R175-R238 PolarHBondContact O-N 2.91Å; N176-R238 HydrophobicContact CB-CG 4.41Å |
| 239 | A | 85.1 | Confident | 67.7 | Low | 31 Ų | 31 | 92.6 Ų | 92.6 | 26% | 0.256 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 138.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L172 I173 C227 | L172-A239 HydrophobicContact CD1-CB 4.1Å; L172-A239 HydrophobicContact CD2-CB 4.07Å; L172-A239 HydrophobicContact CG-CB 4.24Å; I173-A239 CarbonylContact O-C 3.52Å; I173-A239 WeakPolarHBondContact O-CA 3.41Å; C227-A239 HydrophobicContact CB-CB 3.51Å |
| 240 | N | 78.7 | Confident | 65.6 | Low | 74 Ų | 74 | 88.2 Ų | 88.2 | 40% | 0.396 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 127.9 | 168.6 | -61.7 | -84.9 | 0 | 0 | 0 | 108.6 | I173 Q242 | I173-N240 PolarHBondContact N-O 3.1Å; I173-N240 PolarHBondContact O-N 3.29Å; N240-Q242 PolarHBondContact O-N 3.06Å |
| 241 | L | 72.5 | Confident | 63.6 | Low | 78 Ų | 78 | 92 Ų | 92 | 41% | 0.408 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 126.3 | 172.7 | -150.6 | 82.4 | 0 | 0 | 0 | 109.2 | L172 L220 I224 C243 | L172-L241 HydrophobicContact CD1-CD1 4.44Å; L220-L241 HydrophobicContact CD1-CD1 4.38Å; L220-L241 HydrophobicContact CD2-CD1 3.58Å; L220-L241 HydrophobicContact CG-CD1 3.95Å; I224-L241 HydrophobicContact CD1-CD1 3.28Å; I224-L241 HydrophobicContact CG1-CD1 4.47Å; L241-C243 HydrophobicContact CD2-CB 3.72Å; L241-C243 HydrophobicContact CG-CB 4.05Å; L241-C243 PolarHBondContact O-N 2.75Å |
| 242 | Q | 64 | Low | 61.6 | Low | 38 Ų | 38 | 87.1 Ų | 87.1 | 18% | 0.178 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -76.7 | -16.1 | 174.4 | -161.5 | 150.8 | 5 | 0 | 0 | 111.7 | V165 C171 I173 N240 K244 | V165-Q242 VanDerWaalsContact O-CG 3.27Å; V165-Q242 WeakPolarHBondContact O-CG 3.19Å; V165-Q242 PolarHBondContact O-NE2 2.76Å; C171-Q242 HydrophobicContact CB-CB 4.06Å; C171-Q242 VanDerWaalsContact O-CB 3.27Å; C171-Q242 WeakPolarHBondContact O-CB 3.4Å; C171-Q242 PolarHBondContact O-N 2.82Å; I173-Q242 HydrophobicContact CD1-CB 4.1Å; I173-Q242 VanDerWaalsContact CD1-CD 3.4Å; I173-Q242 HydrophobicContact CD1-CG 3.78Å; I173-Q242 HydrophobicContact CG1-CB 4.11Å; I173-Q242 HydrophobicContact CG1-CG 4.16Å; N240-Q242 PolarHBondContact O-N 3.06Å; Q242-K244 PolarHBondContact O-N 2.93Å |
| 243 | C | 43.4 | Very low | 59.7 | Low | 47 Ų | 47 | 90 Ų | 90 | 32% | 0.318 | 47% | 0.47 | S | S | . | . | trans | -78.7 | 63 | 173.5 | -150.7 | 0 | 0 | 0 | 0 | 111.3 | L241 | L241-C243 HydrophobicContact CD2-CB 3.72Å; L241-C243 HydrophobicContact CG-CB 4.05Å; L241-C243 PolarHBondContact O-N 2.75Å | ||
| 244 | K | 39.5 | Very low | 58.1 | Low | 171 Ų | 171 | 93.7 Ų | 93.7 | 74% | 0.743 | 48% | 0.477 | S | S | * | . | -86.2 | 90.4 | 129.7 | -65.6 | -163.4 | 179.4 | -164.9 | 0 | 104.1 | Q242 K246 | Q242-K244 PolarHBondContact O-N 2.93Å; K244-K246 PolarHBondContact O-N 3.12Å; K244-K246 VanDerWaalsContact O-N 3.1Å | |||
| 245 | S | 37.2 | Very low | 56.7 | Low | 75 Ų | 75 | 89.1 Ų | 89.1 | 52% | 0.524 | 46% | 0.461 | S | S | . | . | trans | -41.5 | 128.8 | 143.5 | 51.6 | 0 | 0 | 0 | 0 | 104.1 | S247 | S245-S247 PolarHBondContact O-N 3.37Š| ||
| 246 | K | 37.5 | Very low | 55.8 | Low | 163 Ų | 163 | 85.9 Ų | 85.9 | 71% | 0.709 | 45% | 0.451 | S | S | * | . | trans | -65.4 | 69 | 155.3 | -61.5 | 176.8 | -162.2 | 134.6 | 0 | 105.1 | K244 E248 | K244-K246 PolarHBondContact O-N 3.12Å; K244-K246 VanDerWaalsContact O-N 3.1Å; K246-E248 PolarHBondContact O-N 3.4Å | ||
| 247 | S | 36.8 | Very low | 55.6 | Low | 73 Ų | 73 | 86.4 Ų | 86.4 | 51% | 0.51 | 45% | 0.449 | S | S | . | . | trans | -43.7 | 135.9 | 132.9 | 58.8 | 0 | 0 | 0 | 0 | 104.1 | S245 S249 | S245-S247 PolarHBondContact O-N 3.37Å; S247-S249 PolarHBondContact O-N 3.45Å | ||
| 248 | E | 34.9 | Very low | 55.6 | Low | 195 Ų | 195 | 86.2 Ų | 86.2 | 91% | 0.911 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -51.4 | 49.5 | 174.3 | -92.7 | 124.6 | 149.8 | 0 | 0 | 114.9 | K246 S250 | K246-E248 PolarHBondContact O-N 3.4Å; E248-S250 PolarHBondContact O-N 3.33Å |
| 249 | S | 33.7 | Very low | 55.9 | Low | 83 Ų | 83 | 78.6 Ų | 78.6 | 58% | 0.58 | 42% | 0.419 | S | S | * | . | trans | -69.2 | 82 | 144.4 | 83.9 | 0 | 0 | 0 | 0 | 105.3 | S247 K251 | S247-S249 PolarHBondContact O-N 3.45Å; S249-K251 PolarHBondContact O-N 2.94Å | ||
| 250 | S | 38.8 | Very low | 56.3 | Low | 60 Ų | 60 | 79.5 Ų | 79.5 | 42% | 0.42 | 42% | 0.417 | S | S | . | . | trans | -7.2 | 101.9 | 160.7 | 58.4 | 0 | 0 | 0 | 0 | 111.5 | E248 P252 | E248-S250 PolarHBondContact O-N 3.33Å; S250-P252 VanDerWaalsContact C-N 3.34Å; S250-P252 VanDerWaalsContact O-CD 3.31Å; S250-P252 WeakPolarHBondContact O-CD 3.32Å | ||
| 251 | K | 43 | Very low | 56.9 | Low | 114 Ų | 114 | 76 Ų | 76 | 50% | 0.496 | 40% | 0.399 | S | S | . | . | trans | -48 | 118.2 | 142 | -81.1 | -175.2 | 178.9 | -178 | 0 | 102.7 | S249 P253 Y254 | S249-K251 PolarHBondContact O-N 2.94Å; K251-P253 WeakPolarHBondContact O-CD 2.98Å; K251-Y254 HydrophobicContact CD-CE2 3.83Å; K251-Y254 PolarHBondContact NZ-OH 2.79Å | ||
| 252 | P | 46.2 | Very low | 57.6 | Low | 47 Ų | 47 | 74.5 Ų | 74.5 | 31% | 0.305 | 39% | 0.389 | S | S | . | . | trans | -51.9 | 119.1 | 176.4 | 20.9 | -30 | 0 | 0 | 0 | 104.1 | S250 Y254 F301 W330 | S250-P252 VanDerWaalsContact C-N 3.34Å; S250-P252 VanDerWaalsContact O-CD 3.31Å; S250-P252 WeakPolarHBondContact O-CD 3.32Å; P252-Y254 PolarHBondContact O-N 2.85Å; P252-F301 HydrophobicContact CB-CD1 3.78Å; P252-F301 HydrophobicContact CB-CD2 4.47Å; P252-F301 HydrophobicContact CB-CE1 3.59Å; P252-F301 HydrophobicContact CB-CE2 4.31Å; P252-F301 HydrophobicContact CB-CG 4.23Å; P252-F301 HydrophobicContact CB-CZ 3.87Å; P252-F301 HydrophobicContact CG-CE1 4.17Å; P252-F301 HydrophobicContact CG-CZ 4.24Å; P252-W330 HydrophobicContact CG-CH2 4.45Å | ||
| 253 | P | 48 | Very low | 58.7 | Low | 63 Ų | 63 | 78.2 Ų | 78.2 | 41% | 0.409 | 41% | 0.406 | S | S | . | . | trans | -44 | 136.7 | -175 | -35.5 | 39.2 | 0 | 0 | 0 | 108 | K251 A255 S256 T283 | K251-P253 WeakPolarHBondContact O-CD 2.98Å; P253-A255 CarbonylContact O-C 3.59Å; P253-A255 PolarHBondContact O-N 3.49Å; P253-S256 VanDerWaalsContact CD-OG 3.23Å; P253-S256 WeakPolarHBondContact CD-OG 3.47Å; P253-S256 PolarHBondContact O-N 2.95Å; P253-S256 PolarHBondContact O-OG 2.92Å; P253-T283 HydrophobicContact CB-CG2 4.23Å; P253-T283 HydrophobicContact CG-CG2 3.37Å | ||
| 254 | Y | 52.4 | Low | 60.8 | Low | 187 Ų | 187 | 76 Ų | 76 | 73% | 0.733 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 2.9 | -167.2 | -80.9 | -96.1 | 0 | 0 | 0 | 114.4 | K251 P252 | K251-Y254 HydrophobicContact CD-CE2 3.83Å; K251-Y254 PolarHBondContact NZ-OH 2.79Å; P252-Y254 PolarHBondContact O-N 2.85Å |
| 255 | A | 53.5 | Low | 63 | Low | 62 Ų | 62 | 69 Ų | 69 | 51% | 0.512 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | 16 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | P253 Y257 | P253-A255 CarbonylContact O-C 3.59Å; P253-A255 PolarHBondContact O-N 3.49Å; A255-Y257 PolarHBondContact O-N 3.36Å |
| 256 | S | 66.3 | Low | 65.3 | Low | 12 Ų | 12 | 68.6 Ų | 68.6 | 8% | 0.084 | 36% | 0.355 | C | S | . | . | trans | -75.8 | 129.1 | -176.4 | -49.5 | 0 | 0 | 0 | 0 | 113.5 | P253 G258 | P253-S256 VanDerWaalsContact CD-OG 3.23Å; P253-S256 WeakPolarHBondContact CD-OG 3.47Å; P253-S256 PolarHBondContact O-N 2.95Å; P253-S256 PolarHBondContact O-OG 2.92Å; S256-G258 PolarHBondContact O-N 2.99Å | ||
| 257 | Y | 82.7 | Confident | 67.5 | Low | 76 Ų | 76 | 65.4 Ų | 65.4 | 30% | 0.298 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 95.8 | 174.6 | -64 | -78.7 | 0 | 0 | 0 | 109.2 | A255 F302 K303 S305 | A255-Y257 PolarHBondContact O-N 3.36Å; Y257-F302 PolarHBondContact N-O 3.06Å; Y257-F302 VanDerWaalsContact N-O 3.12Å; Y257-F302 WeakPolarHBondContact O-CD2 3.39Å; Y257-F302 PolarHBondContact O-N 3.41Å; Y257-K303 WeakPolarHBondContact CD2-O 3.35Å; Y257-S305 VanDerWaalsContact CD2-N 3.26Å; Y257-S305 VanDerWaalsContact CE1-CB 3.46Å; Y257-S305 VanDerWaalsContact CE2-N 3.33Å |
| 258 | G | 89.1 | Confident | 69.8 | Low | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 144.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S256 I300 R308 W330 | S256-G258 PolarHBondContact O-N 2.99Å; G258-I300 CarbonylContact C-O 3.53Å; G258-I300 WeakPolarHBondContact CA-O 3.43Å; G258-R308 WeakPolarHBondContact O-CD 3.49Å; G258-W330 PolarHBondContact O-N 3.36Å |
| 259 | L | 91.4 | Very high | 72.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 129.8 | 170.3 | -179.1 | 65.3 | 0 | 0 | 0 | 108.5 | L261 F299 I300 F302 R308 A311 F312 F315 C327 | L259-L261 HydrophobicContact CD2-CD2 4.16Å; L259-L261 HydrophobicContact CG-CD2 4.26Å; L259-F299 CarbonylContact O-C 3.55Å; L259-F299 WeakPolarHBondContact O-CA 3.5Å; L259-I300 HydrophobicContact CB-CB 4.46Å; L259-I300 PolarHBondContact N-O 3.42Å; L259-I300 PolarHBondContact O-N 3.36Å; L259-F302 HydrophobicContact CB-CE2 3.95Å; L259-F302 HydrophobicContact CD2-CE2 4.17Å; L259-R308 HydrophobicContact CB-CG 4.31Å; L259-A311 HydrophobicContact CD2-CB 3.94Å; L259-F312 HydrophobicContact CD1-CB 4.09Å; L259-F312 HydrophobicContact CD1-CD2 3.65Å; L259-F312 HydrophobicContact CD1-CG 4.37Å; L259-F315 HydrophobicContact CD2-CD2 3.94Å; L259-F315 HydrophobicContact CD2-CE2 4.22Å; L259-C327 HydrophobicContact CD1-CB 4.13Å |
| 260 | K | 92.3 | Very high | 75 | Confident | 51 Ų | 51 | 55 Ų | 55 | 22% | 0.222 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 117.7 | 174.6 | -179.3 | -178.2 | -176.3 | 176.8 | 0 | 109.4 | N297 V298 F299 C327 R328 W330 | K260-N297 VanDerWaalsContact CE-CG 3.47Å; K260-N297 WeakPolarHBondContact CE-OD1 3.3Å; K260-N297 PolarHBondContact NZ-OD1 3.37Å; K260-V298 CarbonylContact C-O 3.54Å; K260-V298 WeakPolarHBondContact CA-O 2.91Å; K260-F299 HydrophobicContact CB-CD1 4.01Å; K260-F299 HydrophobicContact CB-CE1 3.99Å; K260-F299 HydrophobicContact CD-CD1 4.48Å; K260-F299 HydrophobicContact CD-CE1 3.65Å; K260-F299 HydrophobicContact CD-CZ 4Å; K260-F299 HydrophobicContact CG-CD1 4.02Å; K260-F299 HydrophobicContact CG-CE1 3.67Å; K260-F299 HydrophobicContact CG-CZ 4.2Å; K260-C327 CarbonylContact O-C 3.49Å; K260-C327 WeakPolarHBondContact O-CA 3.39Å; K260-R328 PolarHBondContact N-O 2.95Å; K260-R328 PolarHBondContact O-N 2.9Å; K260-W330 HydrophobicContact CB-CB 4.14Å |
| 261 | L | 91.7 | Very high | 77.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 132.5 | 163.3 | -50.2 | -175.2 | 0 | 0 | 0 | 108.7 | L259 V264 I273 N297 V298 I300 F315 I325 C327 | L259-L261 HydrophobicContact CD2-CD2 4.16Å; L259-L261 HydrophobicContact CG-CD2 4.26Å; L261-V264 HydrophobicContact CB-CG2 3.51Å; L261-V264 HydrophobicContact CD1-CG2 4.24Å; L261-I273 HydrophobicContact CD1-CG2 4.15Å; L261-N297 WeakPolarHBondContact O-CA 3.31Å; L261-V298 HydrophobicContact CB-CB 4.19Å; L261-V298 HydrophobicContact CD1-CB 4.41Å; L261-V298 PolarHBondContact N-O 3.06Å; L261-V298 PolarHBondContact O-N 2.92Å; L261-I300 HydrophobicContact CD1-CD1 3.75Å; L261-I300 HydrophobicContact CG-CD1 4.11Å; L261-F315 HydrophobicContact CD1-CE1 3.97Å; L261-F315 HydrophobicContact CD1-CE2 4.03Å; L261-F315 HydrophobicContact CD1-CZ 3.66Å; L261-F315 HydrophobicContact CD2-CB 4.47Å; L261-F315 HydrophobicContact CD2-CD1 4.16Å; L261-F315 HydrophobicContact CD2-CD2 3.62Å; L261-F315 HydrophobicContact CD2-CE1 4.28Å; L261-F315 HydrophobicContact CD2-CE2 3.72Å; L261-F315 HydrophobicContact CD2-CG 3.85Å; L261-F315 HydrophobicContact CD2-CZ 4.08Å; L261-F315 HydrophobicContact CG-CE2 4.47Å; L261-I325 HydrophobicContact CB-CG2 3.92Å; L261-I325 HydrophobicContact CD1-CG2 4.27Å; L261-I325 HydrophobicContact CD2-CG2 4.24Å; L261-I325 HydrophobicContact CG-CG2 4.37Å; L261-C327 HydrophobicContact CD2-CB 3.67Å |
| 262 | K | 88.3 | Confident | 79.5 | Confident | 47 Ų | 47 | 58 Ų | 58 | 20% | 0.204 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 143.7 | 177.8 | -69.6 | -174.4 | 168.8 | -164.2 | 0 | 109.5 | V264 N297 S326 R328 | K262-V264 PolarHBondContact O-N 3.12Å; K262-N297 WeakPolarHBondContact CA-OD1 3.18Å; K262-S326 PolarHBondContact N-O 2.68Å; K262-R328 VanDerWaalsContact NZ-CZ 3.26Å |
| 263 | E | 85.7 | Confident | 81.6 | Confident | 115 Ų | 115 | 55.7 Ų | 55.7 | 54% | 0.537 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.9 | 38.4 | 167.6 | -65.7 | 163.3 | -168.3 | 0 | 0 | 112.5 | P265 T295 R296 | E263-P265 WeakPolarHBondContact O-CD 3.49Å; E263-T295 HydrophobicContact CB-CG2 4.46Å; E263-R296 PolarHBondContact N-O 3.03Å |
| 264 | V | 87.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 123.8 | 174.9 | -176.6 | 0 | 0 | 0 | 0 | 107.8 | L261 K262 I268 I273 T295 R296 V298 I325 | L261-V264 HydrophobicContact CB-CG2 3.51Å; L261-V264 HydrophobicContact CD1-CG2 4.24Å; K262-V264 PolarHBondContact O-N 3.12Å; V264-I268 HydrophobicContact CG1-CB 4.11Å; V264-I268 HydrophobicContact CG1-CD1 4.27Å; V264-I268 HydrophobicContact CG1-CG2 4.44Å; V264-I273 HydrophobicContact CG1-CD1 4.01Å; V264-T295 CarbonylContact O-C 3.56Å; V264-T295 WeakPolarHBondContact O-CA 3.49Å; V264-R296 HydrophobicContact CB-CG 4.4Å; V264-R296 PolarHBondContact N-O 3.49Å; V264-R296 PolarHBondContact O-N 3.26Å; V264-V298 HydrophobicContact CB-CG2 4.14Å; V264-V298 HydrophobicContact CG1-CG2 4.45Å; V264-V298 HydrophobicContact CG2-CB 4.35Å; V264-V298 HydrophobicContact CG2-CG2 3.91Å; V264-I325 HydrophobicContact CG2-CG2 3.91Å |
| 265 | P | 85.6 | Confident | 85.4 | Confident | 25 Ų | 25 | 51.2 Ų | 51.2 | 16% | 0.162 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 141.3 | 176.3 | -24.7 | 34.1 | 0 | 0 | 0 | 111.5 | E263 V267 I268 Y323 | E263-P265 WeakPolarHBondContact O-CD 3.49Å; P265-V267 PolarHBondContact O-N 2.66Å; P265-V267 VanDerWaalsContact O-N 3.14Å; P265-I268 PolarHBondContact O-N 2.62Å; P265-Y323 HydrophobicContact CG-CD1 3.73Å; P265-Y323 HydrophobicContact CG-CE1 4.07Å; P265-Y323 HydrophobicContact CG-CG 4Å |
| 266 | N | 85.1 | Confident | 87.1 | Confident | 67 Ų | 67 | 48.8 Ų | 48.8 | 36% | 0.358 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -15.8 | 179.2 | -67.7 | -13.8 | 0 | 0 | 0 | 113.2 | I268 N294 R296 | N266-I268 PolarHBondContact O-N 3.36Å; N266-N294 PolarHBondContact N-O 3.3Å; N266-R296 WeakPolarHBondContact OD1-CD 3.47Å |
| 267 | V | 84.7 | Confident | 88.2 | Confident | 96 Ų | 96 | 48.3 Ų | 48.3 | 58% | 0.582 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -18.8 | 172.4 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | P265 | P265-V267 PolarHBondContact O-N 2.66Å; P265-V267 VanDerWaalsContact O-N 3.14Å |
| 268 | I | 85.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -97.9 | 107.3 | 175.8 | -55.2 | 177.5 | 0 | 0 | 0 | 108.7 | V264 P265 N266 R272 I273 R296 M321 Y323 I325 | V264-I268 HydrophobicContact CG1-CB 4.11Å; V264-I268 HydrophobicContact CG1-CD1 4.27Å; V264-I268 HydrophobicContact CG1-CG2 4.44Å; P265-I268 PolarHBondContact O-N 2.62Å; N266-I268 PolarHBondContact O-N 3.36Å; I268-R272 HydrophobicContact CG2-CB 4.4Å; I268-I273 HydrophobicContact CG2-CD1 4.08Å; I268-I273 HydrophobicContact CG2-CG1 3.66Å; I268-R296 PolarHBondContact O-NH2 3.26Å; I268-M321 HydrophobicContact CD1-CB 4.28Å; I268-M321 HydrophobicContact CG2-CE 3.46Å; I268-M321 VanDerWaalsContact CG2-CE 3.46Å; I268-M321 HydrophobicContact CG2-SD 3.57Å; I268-M321 VanDerWaalsContact CG2-SD 3.57Å; I268-Y323 HydrophobicContact CD1-CD2 3.63Å; I268-Y323 HydrophobicContact CD1-CE2 4.28Å; I268-Y323 HydrophobicContact CD1-CG 4.22Å; I268-Y323 HydrophobicContact CG1-CD2 4.16Å; I268-Y323 HydrophobicContact CG1-CE2 4.31Å; I268-I325 HydrophobicContact CD1-CD1 3.94Å |
| 269 | D | 88.3 | Confident | 87.9 | Confident | 91 Ų | 91 | 52.9 Ų | 52.9 | 49% | 0.487 | 27% | 0.272 | S | S | . | . | trans | -70.6 | 156.5 | 176.5 | -59 | -51.6 | 0 | 0 | 0 | 113.2 | D271 R272 I273 R296 | D269-D271 PolarHBondContact O-N 3.16Å; D269-R272 HydrophobicContact CB-CG 4.45Å; D269-R272 PolarHBondContact O-N 2.95Å; D269-I273 PolarHBondContact O-N 3.49Å; D269-R296 VanDerWaalsContact C-NH2 3.29Å | ||
| 270 | D | 88.7 | Confident | 87.4 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 21% | 0.214 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.7 | -32.9 | -179.1 | -76.5 | -24 | 0 | 0 | 0 | 111.7 | I273 K274 L285 S287 R296 | D270-I273 PolarHBondContact O-N 3.27Å; D270-K274 WeakPolarHBondContact O-CB 3.5Å; D270-K274 PolarHBondContact O-N 2.97Å; D270-L285 HydrophobicContact CB-CD2 3.74Å; D270-S287 VanDerWaalsContact OD2-CB 3.32Å; D270-S287 WeakPolarHBondContact OD2-CB 3.27Å; D270-S287 PolarHBondContact OD2-OG 3.19Å; D270-R296 VanDerWaalsContact CG-NH2 3.31Å; D270-R296 IonicContact OD1-CZ 2.74Å; D270-R296 IonicContact OD1-NH1 2.68Å; D270-R296 PolarHBondContact OD1-NH1 2.81Å; D270-R296 VanDerWaalsContact OD1-NH1 3.08Å; D270-R296 IonicContact OD1-NH2 2.68Å; D270-R296 PolarHBondContact OD1-NH2 2.72Å; D270-R296 IonicContact OD2-CZ 2.93Å; D270-R296 IonicContact OD2-NH1 2.99Å; D270-R296 PolarHBondContact OD2-NH1 2.91Å; D270-R296 IonicContact OD2-NH2 3.68Å |
| 271 | D | 88.1 | Confident | 87.1 | Confident | 123 Ų | 123 | 55.3 Ų | 55.3 | 66% | 0.658 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -66.9 | -37 | 177.1 | -62.1 | -43.8 | 0 | 0 | 0 | 112.4 | D269 I273 K274 A275 | D269-D271 PolarHBondContact O-N 3.16Å; D271-I273 VanDerWaalsContact C-N 3.33Å; D271-I273 PolarHBondContact O-N 3.36Å; D271-K274 PolarHBondContact O-N 3.33Å; D271-A275 WeakPolarHBondContact O-CB 3.43Å; D271-A275 PolarHBondContact O-N 3.27Å |
| 272 | R | 89.1 | Confident | 86.8 | Confident | 114 Ų | 114 | 56 Ų | 56 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 174.7 | -65.3 | -177.2 | 64.7 | -166.9 | 1 | 111.4 | I268 D269 M321 | I268-R272 HydrophobicContact CG2-CB 4.4Å; D269-R272 HydrophobicContact CB-CG 4.45Å; D269-R272 PolarHBondContact O-N 2.95Å; R272-M321 HydrophobicContact CB-CE 4.46Å; R272-M321 HydrophobicContact CB-SD 3.85Å |
| 273 | I | 89.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.7 | -42 | 174.9 | -58.7 | 169.1 | 0 | 0 | 0 | 110.1 | L261 V264 I268 D269 D270 D271 A275 L276 F277 L285 V298 I300 M321 | L261-I273 HydrophobicContact CD1-CG2 4.15Å; V264-I273 HydrophobicContact CG1-CD1 4.01Å; I268-I273 HydrophobicContact CG2-CD1 4.08Å; I268-I273 HydrophobicContact CG2-CG1 3.66Å; D269-I273 PolarHBondContact O-N 3.49Å; D270-I273 PolarHBondContact O-N 3.27Å; D271-I273 VanDerWaalsContact C-N 3.33Å; D271-I273 PolarHBondContact O-N 3.36Å; I273-A275 VanDerWaalsContact C-N 3.32Å; I273-A275 PolarHBondContact O-N 2.9Å; I273-L276 WeakPolarHBondContact O-CB 3.32Å; I273-L276 PolarHBondContact O-N 3.3Å; I273-F277 WeakPolarHBondContact O-CD2 3.28Å; I273-F277 WeakPolarHBondContact O-CE2 3.36Å; I273-L285 HydrophobicContact CB-CD1 4.17Å; I273-L285 HydrophobicContact CG2-CD1 3.85Å; I273-V298 HydrophobicContact CD1-CB 4.42Å; I273-V298 HydrophobicContact CD1-CG1 4.19Å; I273-V298 HydrophobicContact CD1-CG2 3.91Å; I273-I300 HydrophobicContact CG2-CD1 3.74Å; I273-I300 HydrophobicContact CG2-CG1 4.48Å; I273-M321 HydrophobicContact CB-CE 4.47Å; I273-M321 HydrophobicContact CG1-CE 3.83Å |
| 274 | K | 89.7 | Confident | 86.7 | Confident | 89 Ų | 89 | 51.3 Ų | 51.3 | 39% | 0.387 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 178.6 | -165.2 | -175.3 | 177.4 | -161.8 | 0 | 111.3 | D270 D271 L276 F277 L282 | D270-K274 WeakPolarHBondContact O-CB 3.5Å; D270-K274 PolarHBondContact O-N 2.97Å; D271-K274 PolarHBondContact O-N 3.33Å; K274-L276 PolarHBondContact O-N 2.89Å; K274-F277 PolarHBondContact O-N 3.44Å; K274-F277 VanDerWaalsContact O-N 3.1Å; K274-F277 VanDerWaalsContact O-O 3.06Å; K274-L282 HydrophobicContact CG-CD1 3.74Å |
| 275 | A | 89.4 | Confident | 86.8 | Confident | 66 Ų | 66 | 53.4 Ų | 53.4 | 55% | 0.545 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64 | -20.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D271 I273 F277 | D271-A275 WeakPolarHBondContact O-CB 3.43Å; D271-A275 PolarHBondContact O-N 3.27Å; I273-A275 VanDerWaalsContact C-N 3.32Å; I273-A275 PolarHBondContact O-N 2.9Å; A275-F277 PolarHBondContact O-N 3.21Å |
| 276 | L | 88.9 | Confident | 86.9 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 6% | 0.058 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -22.9 | 173.8 | -64.8 | 177.9 | 0 | 0 | 0 | 112.8 | I273 K274 M314 F315 V320 M321 P383 L386 | I273-L276 WeakPolarHBondContact O-CB 3.32Å; I273-L276 PolarHBondContact O-N 3.3Å; K274-L276 PolarHBondContact O-N 2.89Å; L276-M314 HydrophobicContact CD2-CE 4.38Å; L276-F315 HydrophobicContact CD1-CE1 4.29Å; L276-F315 HydrophobicContact CD1-CZ 3.95Å; L276-V320 HydrophobicContact CD1-CG1 3.53Å; L276-V320 HydrophobicContact CD2-CG1 4.43Å; L276-M321 HydrophobicContact CD1-CE 3.75Å; L276-M321 HydrophobicContact CG-CE 4.26Å; L276-P383 HydrophobicContact CD2-CB 4.23Å; L276-P383 HydrophobicContact CD2-CG 3.74Å; L276-L386 PolarHBondContact O-N 3.46Å |
| 277 | F | 89.8 | Confident | 87 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 1% | 0.013 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -116.5 | 147 | -175.5 | -52.3 | -72.9 | 0 | 0 | 0 | 110.5 | I273 K274 A275 E279 L282 I300 F302 A311 F315 L386 | I273-F277 WeakPolarHBondContact O-CD2 3.28Å; I273-F277 WeakPolarHBondContact O-CE2 3.36Å; K274-F277 PolarHBondContact O-N 3.44Å; K274-F277 VanDerWaalsContact O-N 3.1Å; K274-F277 VanDerWaalsContact O-O 3.06Å; A275-F277 PolarHBondContact O-N 3.21Å; F277-E279 PolarHBondContact O-N 2.68Å; F277-L282 HydrophobicContact CB-CD1 3.99Å; F277-L282 HydrophobicContact CB-CD2 4Å; F277-L282 HydrophobicContact CB-CG 3.96Å; F277-L282 HydrophobicContact CD2-CD1 4.41Å; F277-L282 HydrophobicContact CD2-CD2 4.26Å; F277-L282 HydrophobicContact CG-CD2 4.18Å; F277-I300 HydrophobicContact CE2-CD1 3.92Å; F277-F302 AromaticContact CD1-CE1 3.87Å; F277-F302 HydrophobicContact CD1-CE1 3.87Å; F277-F302 HydrophobicContact CD1-CZ 4.17Å; F277-F302 HydrophobicContact CE1-CE1 4.22Å; F277-F302 HydrophobicContact CE1-CZ 4.08Å; F277-F302 HydrophobicContact CG-CE1 4.13Å; F277-F302 HydrophobicContact CG-CZ 4.47Å; F277-F302 HydrophobicContact CZ-CZ 4.3Å; F277-A311 HydrophobicContact CD1-CB 4.41Å; F277-A311 HydrophobicContact CE1-CB 3.52Å; F277-A311 HydrophobicContact CZ-CB 3.99Å; F277-F315 HydrophobicContact CE2-CE2 4.21Å; F277-F315 HydrophobicContact CE2-CZ 4.34Å; F277-F315 AromaticContact CZ-CE2 3.59Å; F277-F315 HydrophobicContact CZ-CE2 3.59Å; F277-F315 HydrophobicContact CZ-CZ 4.01Å; F277-L386 HydrophobicContact CD1-CD1 4.11Å; F277-L386 HydrophobicContact CE1-CD1 3.75Å |
| 278 | P | 87.4 | Confident | 86.9 | Confident | 25 Ų | 25 | 52 Ų | 52 | 16% | 0.162 | 29% | 0.29 | C | S | . | . | trans | -61.6 | 137.5 | 168.9 | -22.1 | 35.8 | 0 | 0 | 0 | 110.2 | T280 S281 L386 F388 | P278-T280 PolarHBondContact O-N 2.64Å; P278-T280 VanDerWaalsContact O-N 3.13Å; P278-S281 WeakPolarHBondContact O-CB 3.48Å; P278-S281 PolarHBondContact O-N 3.27Å; P278-L386 VanDerWaalsContact CD-O 3.28Å; P278-L386 WeakPolarHBondContact CD-O 3.35Å; P278-L386 WeakPolarHBondContact CG-O 3.32Å; P278-F388 HydrophobicContact CG-CD2 3.81Å; P278-F388 HydrophobicContact CG-CE2 4.3Å | ||
| 279 | E | 79 | Confident | 86.7 | Confident | 147 Ų | 147 | 56.4 Ų | 56.4 | 69% | 0.687 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -57.2 | -32.1 | -179.9 | -63 | -161.8 | 137 | 0 | 0 | 112.3 | F277 S281 L282 | F277-E279 PolarHBondContact O-N 2.68Å; E279-S281 PolarHBondContact O-N 2.86Å; E279-L282 PolarHBondContact O-N 3.03Å |
| 280 | T | 80.9 | Confident | 85.8 | Confident | 101 Ų | 101 | 59.6 Ų | 59.6 | 62% | 0.62 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -62.2 | -25 | 177.5 | 58.8 | 0 | 0 | 0 | 0 | 113.4 | P278 K303 | P278-T280 PolarHBondContact O-N 2.64Å; P278-T280 VanDerWaalsContact O-N 3.13Å; T280-K303 WeakPolarHBondContact O-CD 3.31Å; T280-K303 WeakPolarHBondContact O-CE 3.43Å; T280-K303 PolarHBondContact O-NZ 3.08Å |
| 281 | S | 85.3 | Confident | 84.3 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.007 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -88.5 | -22.5 | -175 | -60.9 | 0 | 0 | 0 | 0 | 113.3 | P278 E279 F302 K303 Q307 F388 | P278-S281 WeakPolarHBondContact O-CB 3.48Å; P278-S281 PolarHBondContact O-N 3.27Å; E279-S281 PolarHBondContact O-N 2.86Å; S281-F302 WeakPolarHBondContact O-CA 3.42Å; S281-K303 PolarHBondContact O-N 2.76Å; S281-Q307 VanDerWaalsContact CB-CD 3.46Å; S281-Q307 PolarHBondContact O-OE1 3.05Å; S281-Q307 PolarHBondContact OG-NE2 3.24Å; S281-Q307 VanDerWaalsContact OG-NE2 3.11Å; S281-F388 WeakPolarHBondContact OG-CD2 3.36Å; S281-F388 WeakPolarHBondContact OG-CE2 3.41Å |
| 282 | L | 86.6 | Confident | 82.9 | Confident | 16 Ų | 16 | 69 Ų | 69 | 8% | 0.084 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 141.6 | -176 | -61.8 | -178.1 | 0 | 0 | 0 | 111 | K274 F277 E279 I300 F302 K303 | K274-L282 HydrophobicContact CG-CD1 3.74Å; F277-L282 HydrophobicContact CB-CD1 3.99Å; F277-L282 HydrophobicContact CB-CD2 4Å; F277-L282 HydrophobicContact CB-CG 3.96Å; F277-L282 HydrophobicContact CD2-CD1 4.41Å; F277-L282 HydrophobicContact CD2-CD2 4.26Å; F277-L282 HydrophobicContact CG-CD2 4.18Å; E279-L282 PolarHBondContact O-N 3.03Å; L282-I300 HydrophobicContact CD2-CG2 3.54Å; L282-F302 HydrophobicContact CD2-CD1 3.78Å; L282-F302 HydrophobicContact CD2-CE1 3.55Å; L282-F302 HydrophobicContact CD2-CZ 4.14Å; L282-K303 WeakPolarHBondContact O-CE 3.3Å |
| 283 | T | 85.4 | Confident | 81.9 | Confident | 44 Ų | 44 | 65.2 Ų | 65.2 | 27% | 0.27 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -24.3 | 167.9 | -45.3 | 0 | 0 | 0 | 0 | 111.1 | P253 F301 K303 | P253-T283 HydrophobicContact CB-CG2 4.23Å; P253-T283 HydrophobicContact CG-CG2 3.37Å; T283-F301 PolarHBondContact N-O 3.28Å; T283-K303 WeakPolarHBondContact OG1-CG 3.27Å; T283-K303 PolarHBondContact OG1-N 3.02Å |
| 284 | G | 85.6 | Confident | 81.5 | Confident | 19 Ų | 19 | 72 Ų | 72 | 20% | 0.196 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.4 | 168.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F301 | G284-F301 PolarHBondContact N-O 2.83Å; G284-F301 WeakPolarHBondContact O-CB 3.5Å; G284-F301 PolarHBondContact O-N 2.96Å |
| 285 | L | 89.7 | Confident | 81.3 | Confident | 43 Ų | 43 | 69.6 Ų | 69.6 | 23% | 0.225 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 138.5 | 175.4 | -173.6 | 152.1 | 0 | 0 | 0 | 108.6 | D270 I273 V298 F299 I300 | D270-L285 HydrophobicContact CB-CD2 3.74Å; I273-L285 HydrophobicContact CB-CD1 4.17Å; I273-L285 HydrophobicContact CG2-CD1 3.85Å; L285-V298 HydrophobicContact CD1-CG1 4.08Å; L285-V298 HydrophobicContact CD2-CG1 3.71Å; L285-V298 HydrophobicContact CG-CG1 3.81Å; L285-F299 CarbonylContact C-O 3.58Å; L285-F299 VanDerWaalsContact CA-O 3.3Å; L285-F299 WeakPolarHBondContact CA-O 3.13Å; L285-I300 HydrophobicContact CD1-CG1 4.07Å; L285-I300 HydrophobicContact CG-CG1 4.38Å |
| 286 | S | 87.2 | Confident | 81.2 | Confident | 56 Ų | 56 | 67.7 Ų | 67.7 | 39% | 0.392 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 128 | 178.8 | 176 | 0 | 0 | 0 | 0 | 110.6 | V298 F299 | S286-V298 CarbonylContact O-C 3.6Å; S286-F299 PolarHBondContact N-O 3.48Å; S286-F299 PolarHBondContact O-N 3.26Å |
| 287 | S | 87.8 | Confident | 81.2 | Confident | 40 Ų | 40 | 68.8 Ų | 68.8 | 28% | 0.28 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 146.8 | 176.6 | 55.7 | 0 | 0 | 0 | 0 | 111.3 | D270 R296 N297 | D270-S287 VanDerWaalsContact OD2-CB 3.32Å; D270-S287 WeakPolarHBondContact OD2-CB 3.27Å; D270-S287 PolarHBondContact OD2-OG 3.19Å; S287-R296 PolarHBondContact OG-NH1 2.84Å; S287-N297 CarbonylContact C-O 3.47Å; S287-N297 WeakPolarHBondContact CA-O 3.19Å |
| 288 | T | 83.7 | Confident | 81.3 | Confident | 62 Ų | 62 | 68.6 Ų | 68.6 | 38% | 0.38 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 109.9 | 175.9 | 51.1 | 0 | 0 | 0 | 0 | 108.9 | N297 F299 | T288-N297 PolarHBondContact N-O 2.86Å; T288-N297 PolarHBondContact O-N 2.81Å; T288-N297 PolarHBondContact OG1-O 3.04Å; T288-F299 HydrophobicContact CG2-CE2 4.08Å; T288-F299 WeakPolarHBondContact OG1-CE2 3.43Å |
| 289 | S | 80.2 | Confident | 81.5 | Confident | 93 Ų | 93 | 68.9 Ų | 68.9 | 65% | 0.65 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 136.2 | 174.5 | -53.3 | 0 | 0 | 0 | 0 | 110 | ||
| 290 | R | 69.4 | Low | 82.1 | Confident | 158 Ų | 158 | 61.9 Ų | 61.9 | 60% | 0.596 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -88.4 | 125.9 | 169.9 | -171.1 | 178.8 | -178.8 | -163 | -3.5 | 106.2 | D292 S293 | R290-D292 PolarHBondContact O-N 3.26Å; R290-S293 PolarHBondContact O-N 3.3Å; R290-S293 PolarHBondContact O-OG 2.77Å |
| 291 | K | 57.8 | Low | 82.6 | Confident | 190 Ų | 190 | 57.7 Ų | 57.7 | 83% | 0.826 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 127.9 | -179.3 | -67.9 | -173.3 | 175.9 | -167.6 | 0 | 108.8 | ||
| 292 | D | 57.9 | Low | 82.8 | Confident | 171 Ų | 171 | 57.7 Ų | 57.7 | 91% | 0.914 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 27.9 | 175.4 | -40.1 | -43.4 | 0 | 0 | 0 | 116.2 | R290 | R290-D292 PolarHBondContact O-N 3.26Š|
| 293 | S | 68.9 | Low | 82.8 | Confident | 35 Ų | 35 | 62.6 Ų | 62.6 | 25% | 0.245 | 33% | 0.332 | C | S | . | . | trans | -128.6 | 141.4 | 173.7 | 81.9 | 0 | 0 | 0 | 0 | 113.6 | R290 T295 | R290-S293 PolarHBondContact O-N 3.3Å; R290-S293 PolarHBondContact O-OG 2.77Å; S293-T295 PolarHBondContact O-N 2.79Å; S293-T295 PolarHBondContact OG-O 3.48Å; S293-T295 PolarHBondContact OG-OG1 2.89Å | ||
| 294 | N | 81.1 | Confident | 83 | Confident | 143 Ų | 143 | 65.4 Ų | 65.4 | 77% | 0.765 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -66.9 | 13.5 | 170.5 | -76.1 | 1.6 | 0 | 0 | 0 | 113.7 | N266 | N266-N294 PolarHBondContact N-O 3.3Š|
| 295 | T | 84.6 | Confident | 83.1 | Confident | 38 Ų | 38 | 66 Ų | 66 | 23% | 0.233 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 156.1 | -178.4 | 70.9 | 0 | 0 | 0 | 0 | 111.4 | E263 V264 S293 | E263-T295 HydrophobicContact CB-CG2 4.46Å; V264-T295 CarbonylContact O-C 3.56Å; V264-T295 WeakPolarHBondContact O-CA 3.49Å; S293-T295 PolarHBondContact O-N 2.79Å; S293-T295 PolarHBondContact OG-O 3.48Å; S293-T295 PolarHBondContact OG-OG1 2.89Å |
| 296 | R | 87.8 | Confident | 83 | Confident | 26 Ų | 26 | 67.2 Ų | 67.2 | 10% | 0.098 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 156.7 | 178.8 | 58.6 | -167.4 | -177.5 | 137.5 | 12.5 | 111.2 | E263 V264 N266 I268 D269 D270 S287 V298 | E263-R296 PolarHBondContact N-O 3.03Å; V264-R296 HydrophobicContact CB-CG 4.4Å; V264-R296 PolarHBondContact N-O 3.49Å; V264-R296 PolarHBondContact O-N 3.26Å; N266-R296 WeakPolarHBondContact OD1-CD 3.47Å; I268-R296 PolarHBondContact O-NH2 3.26Å; D269-R296 VanDerWaalsContact C-NH2 3.29Å; D270-R296 VanDerWaalsContact CG-NH2 3.31Å; D270-R296 IonicContact OD1-CZ 2.74Å; D270-R296 IonicContact OD1-NH1 2.68Å; D270-R296 PolarHBondContact OD1-NH1 2.81Å; D270-R296 VanDerWaalsContact OD1-NH1 3.08Å; D270-R296 IonicContact OD1-NH2 2.68Å; D270-R296 PolarHBondContact OD1-NH2 2.72Å; D270-R296 IonicContact OD2-CZ 2.93Å; D270-R296 IonicContact OD2-NH1 2.99Å; D270-R296 PolarHBondContact OD2-NH1 2.91Å; D270-R296 IonicContact OD2-NH2 3.68Å; S287-R296 PolarHBondContact OG-NH1 2.84Å; R296-V298 HydrophobicContact CG-CG2 4.24Å |
| 297 | N | 90.2 | Very high | 83.1 | Confident | 33 Ų | 33 | 65.6 Ų | 65.6 | 18% | 0.176 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 130.7 | 168.3 | -66.2 | -76.2 | 0 | 0 | 0 | 108.8 | K260 L261 K262 S287 T288 F299 | K260-N297 VanDerWaalsContact CE-CG 3.47Å; K260-N297 WeakPolarHBondContact CE-OD1 3.3Å; K260-N297 PolarHBondContact NZ-OD1 3.37Å; L261-N297 WeakPolarHBondContact O-CA 3.31Å; K262-N297 WeakPolarHBondContact CA-OD1 3.18Å; S287-N297 CarbonylContact C-O 3.47Å; S287-N297 WeakPolarHBondContact CA-O 3.19Å; T288-N297 PolarHBondContact N-O 2.86Å; T288-N297 PolarHBondContact O-N 2.81Å; T288-N297 PolarHBondContact OG1-O 3.04Å; N297-F299 HydrophobicContact CB-CE2 4.31Å |
| 298 | V | 91 | Very high | 83.3 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 135.3 | 177.5 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | K260 L261 V264 I273 L285 S286 R296 I300 | K260-V298 CarbonylContact C-O 3.54Å; K260-V298 WeakPolarHBondContact CA-O 2.91Å; L261-V298 HydrophobicContact CB-CB 4.19Å; L261-V298 HydrophobicContact CD1-CB 4.41Å; L261-V298 PolarHBondContact N-O 3.06Å; L261-V298 PolarHBondContact O-N 2.92Å; V264-V298 HydrophobicContact CB-CG2 4.14Å; V264-V298 HydrophobicContact CG1-CG2 4.45Å; V264-V298 HydrophobicContact CG2-CB 4.35Å; V264-V298 HydrophobicContact CG2-CG2 3.91Å; I273-V298 HydrophobicContact CD1-CB 4.42Å; I273-V298 HydrophobicContact CD1-CG1 4.19Å; I273-V298 HydrophobicContact CD1-CG2 3.91Å; L285-V298 HydrophobicContact CD1-CG1 4.08Å; L285-V298 HydrophobicContact CD2-CG1 3.71Å; L285-V298 HydrophobicContact CG-CG1 3.81Å; S286-V298 CarbonylContact O-C 3.6Å; R296-V298 HydrophobicContact CG-CG2 4.24Å; V298-I300 HydrophobicContact CG1-CG1 4.24Å |
| 299 | F | 91.9 | Very high | 83.6 | Confident | 31 Ų | 31 | 68.9 Ų | 68.9 | 14% | 0.136 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 117.1 | 177.4 | -61.7 | -88.7 | 0 | 0 | 0 | 108.3 | L259 K260 L285 S286 T288 N297 F301 W330 | L259-F299 CarbonylContact O-C 3.55Å; L259-F299 WeakPolarHBondContact O-CA 3.5Å; K260-F299 HydrophobicContact CB-CD1 4.01Å; K260-F299 HydrophobicContact CB-CE1 3.99Å; K260-F299 HydrophobicContact CD-CD1 4.48Å; K260-F299 HydrophobicContact CD-CE1 3.65Å; K260-F299 HydrophobicContact CD-CZ 4Å; K260-F299 HydrophobicContact CG-CD1 4.02Å; K260-F299 HydrophobicContact CG-CE1 3.67Å; K260-F299 HydrophobicContact CG-CZ 4.2Å; L285-F299 CarbonylContact C-O 3.58Å; L285-F299 VanDerWaalsContact CA-O 3.3Å; L285-F299 WeakPolarHBondContact CA-O 3.13Å; S286-F299 PolarHBondContact N-O 3.48Å; S286-F299 PolarHBondContact O-N 3.26Å; T288-F299 HydrophobicContact CG2-CE2 4.08Å; T288-F299 WeakPolarHBondContact OG1-CE2 3.43Å; N297-F299 HydrophobicContact CB-CE2 4.31Å; F299-F301 HydrophobicContact CB-CE2 3.99Å; F299-F301 HydrophobicContact CB-CZ 3.93Å; F299-W330 AromaticContact CD1-CD1 3.69Å; F299-W330 HydrophobicContact CD1-CG 4.06Å; F299-W330 AromaticContact CD1-NE1 3.87Å; F299-W330 AromaticContact CE1-CD1 3.46Å; F299-W330 VanDerWaalsContact CE1-CD1 3.46Å; F299-W330 HydrophobicContact CE1-CG 4.27Å; F299-W330 AromaticContact CE1-NE1 3.57Å |
| 300 | I | 91.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 132.3 | 178.8 | -51.6 | 175.2 | 0 | 0 | 0 | 107.9 | G258 L259 L261 I273 F277 L282 L285 V298 F302 F315 | G258-I300 CarbonylContact C-O 3.53Å; G258-I300 WeakPolarHBondContact CA-O 3.43Å; L259-I300 HydrophobicContact CB-CB 4.46Å; L259-I300 PolarHBondContact N-O 3.42Å; L259-I300 PolarHBondContact O-N 3.36Å; L261-I300 HydrophobicContact CD1-CD1 3.75Å; L261-I300 HydrophobicContact CG-CD1 4.11Å; I273-I300 HydrophobicContact CG2-CD1 3.74Å; I273-I300 HydrophobicContact CG2-CG1 4.48Å; F277-I300 HydrophobicContact CE2-CD1 3.92Å; L282-I300 HydrophobicContact CD2-CG2 3.54Å; L285-I300 HydrophobicContact CD1-CG1 4.07Å; L285-I300 HydrophobicContact CG-CG1 4.38Å; V298-I300 HydrophobicContact CG1-CG1 4.24Å; I300-F302 HydrophobicContact CB-CE2 4.03Å; I300-F302 HydrophobicContact CB-CZ 4.38Å; I300-F302 HydrophobicContact CG2-CD2 4.21Å; I300-F302 HydrophobicContact CG2-CE1 4.22Å; I300-F302 HydrophobicContact CG2-CE2 3.54Å; I300-F302 HydrophobicContact CG2-CZ 3.55Å; I300-F315 HydrophobicContact CD1-CE2 4.23Å |
| 301 | F | 91 | Very high | 85.2 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 6% | 0.057 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 122 | -179 | -61 | -75.3 | 0 | 0 | 0 | 109.5 | P252 T283 G284 F299 W330 | P252-F301 HydrophobicContact CB-CD1 3.78Å; P252-F301 HydrophobicContact CB-CD2 4.47Å; P252-F301 HydrophobicContact CB-CE1 3.59Å; P252-F301 HydrophobicContact CB-CE2 4.31Å; P252-F301 HydrophobicContact CB-CG 4.23Å; P252-F301 HydrophobicContact CB-CZ 3.87Å; P252-F301 HydrophobicContact CG-CE1 4.17Å; P252-F301 HydrophobicContact CG-CZ 4.24Å; T283-F301 PolarHBondContact N-O 3.28Å; G284-F301 PolarHBondContact N-O 2.83Å; G284-F301 WeakPolarHBondContact O-CB 3.5Å; G284-F301 PolarHBondContact O-N 2.96Å; F299-F301 HydrophobicContact CB-CE2 3.99Å; F299-F301 HydrophobicContact CB-CZ 3.93Å; F301-W330 HydrophobicContact CD1-CZ3 4.4Å; F301-W330 AromaticContact CE1-CE3 3.84Å; F301-W330 HydrophobicContact CE1-CE3 3.84Å; F301-W330 HydrophobicContact CE1-CH2 4.05Å; F301-W330 AromaticContact CE1-CZ3 3.55Å; F301-W330 HydrophobicContact CE1-CZ3 3.55Å; F301-W330 HydrophobicContact CZ-CZ3 4.43Å |
| 302 | F | 90 | Very high | 86.8 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 148.9 | 179.5 | -63.9 | -87.8 | 0 | 0 | 0 | 111.8 | Y257 L259 F277 S281 L282 I300 Q307 R308 A311 | Y257-F302 PolarHBondContact N-O 3.06Å; Y257-F302 VanDerWaalsContact N-O 3.12Å; Y257-F302 WeakPolarHBondContact O-CD2 3.39Å; Y257-F302 PolarHBondContact O-N 3.41Å; L259-F302 HydrophobicContact CB-CE2 3.95Å; L259-F302 HydrophobicContact CD2-CE2 4.17Å; F277-F302 AromaticContact CD1-CE1 3.87Å; F277-F302 HydrophobicContact CD1-CE1 3.87Å; F277-F302 HydrophobicContact CD1-CZ 4.17Å; F277-F302 HydrophobicContact CE1-CE1 4.22Å; F277-F302 HydrophobicContact CE1-CZ 4.08Å; F277-F302 HydrophobicContact CG-CE1 4.13Å; F277-F302 HydrophobicContact CG-CZ 4.47Å; F277-F302 HydrophobicContact CZ-CZ 4.3Å; S281-F302 WeakPolarHBondContact O-CA 3.42Å; L282-F302 HydrophobicContact CD2-CD1 3.78Å; L282-F302 HydrophobicContact CD2-CE1 3.55Å; L282-F302 HydrophobicContact CD2-CZ 4.14Å; I300-F302 HydrophobicContact CB-CE2 4.03Å; I300-F302 HydrophobicContact CB-CZ 4.38Å; I300-F302 HydrophobicContact CG2-CD2 4.21Å; I300-F302 HydrophobicContact CG2-CE1 4.22Å; I300-F302 HydrophobicContact CG2-CE2 3.54Å; I300-F302 HydrophobicContact CG2-CZ 3.55Å; F302-Q307 HydrophobicContact CB-CB 4.33Å; F302-Q307 HydrophobicContact CD1-CB 3.81Å; F302-Q307 HydrophobicContact CG-CB 4.32Å; F302-R308 HydrophobicContact CB-CB 4.15Å; F302-R308 HydrophobicContact CD2-CB 3.64Å; F302-R308 HydrophobicContact CD2-CG 3.98Å; F302-R308 HydrophobicContact CE2-CB 4.31Å; F302-R308 HydrophobicContact CE2-CG 4.4Å; F302-R308 HydrophobicContact CG-CB 4.03Å; F302-A311 HydrophobicContact CE1-CB 4.06Å; F302-A311 HydrophobicContact CE2-CB 3.94Å; F302-A311 HydrophobicContact CZ-CB 3.38Å |
| 303 | K | 87.2 | Confident | 88.3 | Confident | 120 Ų | 120 | 50.8 Ų | 50.8 | 52% | 0.522 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -69.8 | -45.1 | 173.1 | -66 | -172 | -168.4 | 164.6 | 0 | 111.3 | Y257 T280 S281 L282 T283 | Y257-K303 WeakPolarHBondContact CD2-O 3.35Å; T280-K303 WeakPolarHBondContact O-CD 3.31Å; T280-K303 WeakPolarHBondContact O-CE 3.43Å; T280-K303 PolarHBondContact O-NZ 3.08Å; S281-K303 PolarHBondContact O-N 2.76Å; L282-K303 WeakPolarHBondContact O-CE 3.3Å; T283-K303 WeakPolarHBondContact OG1-CG 3.27Å; T283-K303 PolarHBondContact OG1-N 3.02Å |
| 304 | K | 87.8 | Confident | 89.2 | Confident | 102 Ų | 102 | 49.7 Ų | 49.7 | 44% | 0.443 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -108.5 | 149.1 | -179.3 | -64.1 | -175.3 | 174.6 | -175.7 | 0 | 112.9 | A306 Q307 R308 D391 | K304-A306 VanDerWaalsContact C-N 3.34Å; K304-A306 PolarHBondContact O-N 2.84Å; K304-Q307 HydrophobicContact CB-CG 4.15Å; K304-Q307 PolarHBondContact O-N 3.24Å; K304-R308 PolarHBondContact O-N 3.24Å; K304-D391 IonicContact NZ-OD2 3.08Å; K304-D391 PolarHBondContact NZ-OD2 3.44Å |
| 305 | S | 87.5 | Confident | 89.7 | Confident | 32 Ų | 32 | 43.1 Ų | 43.1 | 22% | 0.224 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.1 | -36 | 176.5 | -168.4 | 0 | 0 | 0 | 0 | 112.3 | Y257 R308 K309 | Y257-S305 VanDerWaalsContact CD2-N 3.26Å; Y257-S305 VanDerWaalsContact CE1-CB 3.46Å; Y257-S305 VanDerWaalsContact CE2-N 3.33Å; S305-R308 PolarHBondContact O-N 2.93Å; S305-R308 PolarHBondContact OG-NH2 2.9Å; S305-K309 WeakPolarHBondContact O-CG 3.15Å; S305-K309 PolarHBondContact O-N 3.35Å |
| 306 | A | 88.5 | Confident | 89.8 | Confident | 69 Ų | 69 | 48.4 Ų | 48.4 | 57% | 0.57 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -60.2 | -46.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | K304 R308 K309 A310 | K304-A306 VanDerWaalsContact C-N 3.34Å; K304-A306 PolarHBondContact O-N 2.84Å; A306-R308 PolarHBondContact O-N 2.62Å; A306-K309 WeakPolarHBondContact O-CB 3.23Å; A306-K309 PolarHBondContact O-N 2.74Å; A306-A310 PolarHBondContact O-N 3.14Å |
| 307 | Q | 90.1 | Very high | 89.5 | Confident | 21 Ų | 21 | 52.3 Ų | 52.3 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 176.9 | -66.3 | 164.1 | -14.3 | 0 | 0 | 111.9 | S281 F302 K304 K309 A310 A311 F388 | S281-Q307 VanDerWaalsContact CB-CD 3.46Å; S281-Q307 PolarHBondContact O-OE1 3.05Å; S281-Q307 PolarHBondContact OG-NE2 3.24Å; S281-Q307 VanDerWaalsContact OG-NE2 3.11Å; F302-Q307 HydrophobicContact CB-CB 4.33Å; F302-Q307 HydrophobicContact CD1-CB 3.81Å; F302-Q307 HydrophobicContact CG-CB 4.32Å; K304-Q307 HydrophobicContact CB-CG 4.15Å; K304-Q307 PolarHBondContact O-N 3.24Å; Q307-K309 VanDerWaalsContact C-N 3.33Å; Q307-K309 PolarHBondContact O-N 3.49Å; Q307-A310 PolarHBondContact O-N 2.69Å; Q307-A311 WeakPolarHBondContact O-CB 3.45Å; Q307-A311 PolarHBondContact O-N 3.25Å; Q307-F388 HydrophobicContact CB-CE1 3.96Å; Q307-F388 HydrophobicContact CB-CE2 4.2Å; Q307-F388 HydrophobicContact CB-CZ 3.78Å; Q307-F388 HydrophobicContact CG-CD1 3.84Å; Q307-F388 HydrophobicContact CG-CD2 4.02Å; Q307-F388 HydrophobicContact CG-CE1 3.8Å; Q307-F388 HydrophobicContact CG-CE2 3.97Å; Q307-F388 HydrophobicContact CG-CG 3.96Å; Q307-F388 HydrophobicContact CG-CZ 3.86Å |
| 308 | R | 91.5 | Very high | 89 | Confident | 34 Ų | 34 | 55.9 Ų | 55.9 | 13% | 0.128 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 173.7 | -178.5 | -168 | 55.2 | 179.4 | -3 | 112.1 | G258 L259 F302 K304 S305 A306 A311 F312 L329 | G258-R308 WeakPolarHBondContact O-CD 3.49Å; L259-R308 HydrophobicContact CB-CG 4.31Å; F302-R308 HydrophobicContact CB-CB 4.15Å; F302-R308 HydrophobicContact CD2-CB 3.64Å; F302-R308 HydrophobicContact CD2-CG 3.98Å; F302-R308 HydrophobicContact CE2-CB 4.31Å; F302-R308 HydrophobicContact CE2-CG 4.4Å; F302-R308 HydrophobicContact CG-CB 4.03Å; K304-R308 PolarHBondContact O-N 3.24Å; S305-R308 PolarHBondContact O-N 2.93Å; S305-R308 PolarHBondContact OG-NH2 2.9Å; A306-R308 PolarHBondContact O-N 2.62Å; R308-A311 PolarHBondContact O-N 3.2Å; R308-F312 VanDerWaalsContact O-CB 3.3Å; R308-F312 WeakPolarHBondContact O-CB 3.42Å; R308-F312 PolarHBondContact O-N 3.45Å; R308-L329 HydrophobicContact CG-CD2 4.06Å |
| 309 | K | 89.9 | Confident | 88.7 | Confident | 138 Ų | 138 | 59.4 Ų | 59.4 | 60% | 0.6 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.8 | -42.5 | 180 | -76.1 | -179.3 | 179.1 | -177.8 | 0 | 111.5 | S305 A306 Q307 F312 K313 | S305-K309 WeakPolarHBondContact O-CG 3.15Å; S305-K309 PolarHBondContact O-N 3.35Å; A306-K309 WeakPolarHBondContact O-CB 3.23Å; A306-K309 PolarHBondContact O-N 2.74Å; Q307-K309 VanDerWaalsContact C-N 3.33Å; Q307-K309 PolarHBondContact O-N 3.49Å; K309-F312 PolarHBondContact O-N 3.06Å; K309-K313 PolarHBondContact O-N 2.99Å |
| 310 | A | 90.7 | Very high | 88.2 | Confident | 35 Ų | 35 | 58 Ų | 58 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61 | -48.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A306 Q307 F312 K313 M314 L386 F388 | A306-A310 PolarHBondContact O-N 3.14Å; Q307-A310 PolarHBondContact O-N 2.69Å; A310-F312 VanDerWaalsContact C-N 3.34Å; A310-F312 PolarHBondContact O-N 2.95Å; A310-K313 PolarHBondContact O-N 3.08Å; A310-K313 VanDerWaalsContact O-N 3.12Å; A310-M314 PolarHBondContact O-N 2.71Å; A310-L386 HydrophobicContact CB-CD2 4.38Å; A310-F388 HydrophobicContact CB-CE1 3.75Å; A310-F388 HydrophobicContact CB-CZ 4.38Å |
| 311 | A | 91.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60 | -41.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L259 F277 F302 Q307 R308 K313 M314 F315 | L259-A311 HydrophobicContact CD2-CB 3.94Å; F277-A311 HydrophobicContact CD1-CB 4.41Å; F277-A311 HydrophobicContact CE1-CB 3.52Å; F277-A311 HydrophobicContact CZ-CB 3.99Å; F302-A311 HydrophobicContact CE1-CB 4.06Å; F302-A311 HydrophobicContact CE2-CB 3.94Å; F302-A311 HydrophobicContact CZ-CB 3.38Å; Q307-A311 WeakPolarHBondContact O-CB 3.45Å; Q307-A311 PolarHBondContact O-N 3.25Å; R308-A311 PolarHBondContact O-N 3.2Å; A311-K313 VanDerWaalsContact C-N 3.32Å; A311-K313 PolarHBondContact O-N 3.47Å; A311-M314 PolarHBondContact O-N 3.29Å; A311-F315 VanDerWaalsContact O-CD2 3.22Å; A311-F315 WeakPolarHBondContact O-CD2 3.47Å; A311-F315 PolarHBondContact O-N 3.28Å |
| 312 | F | 91.5 | Very high | 87.2 | Confident | 55 Ų | 55 | 61.5 Ų | 61.5 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 175.2 | -179.6 | -96.3 | 0 | 0 | 0 | 112 | L259 R308 K309 A310 K316 C327 L329 | L259-F312 HydrophobicContact CD1-CB 4.09Å; L259-F312 HydrophobicContact CD1-CD2 3.65Å; L259-F312 HydrophobicContact CD1-CG 4.37Å; R308-F312 VanDerWaalsContact O-CB 3.3Å; R308-F312 WeakPolarHBondContact O-CB 3.42Å; R308-F312 PolarHBondContact O-N 3.45Å; K309-F312 PolarHBondContact O-N 3.06Å; A310-F312 VanDerWaalsContact C-N 3.34Å; A310-F312 PolarHBondContact O-N 2.95Å; F312-K316 HydrophobicContact CE1-CD 4.05Å; F312-K316 HydrophobicContact CZ-CD 4.34Å; F312-K316 WeakPolarHBondContact O-CB 3.3Å; F312-K316 PolarHBondContact O-N 3.4Å; F312-K316 VanDerWaalsContact O-N 3.1Å; F312-C327 WeakPolarHBondContact CD2-SG 3.42Å; F312-L329 HydrophobicContact CB-CD2 4.29Å; F312-L329 HydrophobicContact CD2-CD2 3.99Å; F312-L329 HydrophobicContact CD2-CG 4.01Å; F312-L329 HydrophobicContact CE2-CG 4.15Å; F312-L329 HydrophobicContact CG-CD2 4.13Å; F312-L329 HydrophobicContact CG-CG 4.44Å |
| 313 | K | 89.6 | Confident | 86.9 | Confident | 141 Ų | 141 | 66 Ų | 66 | 61% | 0.613 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67.4 | -43.7 | 177.2 | -168.7 | 179.9 | 179.2 | -173.7 | 0 | 111.3 | K309 A310 A311 K316 N317 | K309-K313 PolarHBondContact O-N 2.99Å; A310-K313 PolarHBondContact O-N 3.08Å; A310-K313 VanDerWaalsContact O-N 3.12Å; A311-K313 VanDerWaalsContact C-N 3.32Å; A311-K313 PolarHBondContact O-N 3.47Å; K313-K316 PolarHBondContact O-N 3.37Å; K313-N317 WeakPolarHBondContact O-CB 3.19Å; K313-N317 PolarHBondContact O-N 3.25Å; K313-N317 VanDerWaalsContact O-N 3.08Å |
| 314 | M | 88.9 | Confident | 86.7 | Confident | 12 Ų | 12 | 65.6 Ų | 65.6 | 6% | 0.059 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -55.3 | -59 | 175.9 | -176.6 | -167.4 | -179 | 0 | 0 | 110.9 | L276 A310 A311 K316 N317 E318 V320 P383 L386 | L276-M314 HydrophobicContact CD2-CE 4.38Å; A310-M314 PolarHBondContact O-N 2.71Å; A311-M314 PolarHBondContact O-N 3.29Å; M314-K316 PolarHBondContact O-N 3.04Å; M314-N317 PolarHBondContact O-N 3.49Å; M314-E318 WeakPolarHBondContact CG-OE2 3.36Å; M314-E318 WeakPolarHBondContact O-CB 3.32Å; M314-E318 PolarHBondContact O-N 3.28Å; M314-V320 HydrophobicContact CE-CG1 4.42Å; M314-V320 HydrophobicContact CE-CG2 4.19Å; M314-V320 HydrophobicContact CG-CG2 4.43Å; M314-P383 HydrophobicContact CE-CB 4.34Å; M314-L386 HydrophobicContact CB-CD1 4.38Å; M314-L386 HydrophobicContact SD-CD1 3.55Å; M314-L386 VanDerWaalsContact SD-CD1 3.55Å; M314-L386 HydrophobicContact SD-CG 4.28Å |
| 315 | F | 90 | Very high | 86.7 | Confident | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.1 | -22.7 | -179.2 | -74 | -67.7 | 0 | 0 | 0 | 114.3 | L259 L261 L276 F277 I300 A311 V320 I325 C327 | L259-F315 HydrophobicContact CD2-CD2 3.94Å; L259-F315 HydrophobicContact CD2-CE2 4.22Å; L261-F315 HydrophobicContact CD1-CE1 3.97Å; L261-F315 HydrophobicContact CD1-CE2 4.03Å; L261-F315 HydrophobicContact CD1-CZ 3.66Å; L261-F315 HydrophobicContact CD2-CB 4.47Å; L261-F315 HydrophobicContact CD2-CD1 4.16Å; L261-F315 HydrophobicContact CD2-CD2 3.62Å; L261-F315 HydrophobicContact CD2-CE1 4.28Å; L261-F315 HydrophobicContact CD2-CE2 3.72Å; L261-F315 HydrophobicContact CD2-CG 3.85Å; L261-F315 HydrophobicContact CD2-CZ 4.08Å; L261-F315 HydrophobicContact CG-CE2 4.47Å; L276-F315 HydrophobicContact CD1-CE1 4.29Å; L276-F315 HydrophobicContact CD1-CZ 3.95Å; F277-F315 HydrophobicContact CE2-CE2 4.21Å; F277-F315 HydrophobicContact CE2-CZ 4.34Å; F277-F315 AromaticContact CZ-CE2 3.59Å; F277-F315 HydrophobicContact CZ-CE2 3.59Å; F277-F315 HydrophobicContact CZ-CZ 4.01Å; I300-F315 HydrophobicContact CD1-CE2 4.23Å; A311-F315 VanDerWaalsContact O-CD2 3.22Å; A311-F315 WeakPolarHBondContact O-CD2 3.47Å; A311-F315 PolarHBondContact O-N 3.28Å; F315-V320 HydrophobicContact CD1-CB 4.01Å; F315-V320 HydrophobicContact CD1-CG1 4.31Å; F315-V320 HydrophobicContact CD1-CG2 3.62Å; F315-V320 HydrophobicContact CE1-CB 3.91Å; F315-V320 HydrophobicContact CE1-CG1 3.72Å; F315-V320 HydrophobicContact CE1-CG2 3.89Å; F315-V320 HydrophobicContact CG-CG2 4.49Å; F315-I325 HydrophobicContact CD1-CB 4.11Å; F315-I325 HydrophobicContact CD1-CG2 4.28Å; F315-I325 HydrophobicContact CE1-CD1 4.18Å; F315-C327 HydrophobicContact CB-CB 3.83Å |
| 316 | K | 86.6 | Confident | 86.6 | Confident | 148 Ų | 148 | 62.2 Ų | 62.2 | 64% | 0.643 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -78.3 | -32.6 | 177.9 | -172 | 179.5 | 178.4 | -168.7 | 0 | 112.2 | F312 K313 M314 | F312-K316 HydrophobicContact CE1-CD 4.05Å; F312-K316 HydrophobicContact CZ-CD 4.34Å; F312-K316 WeakPolarHBondContact O-CB 3.3Å; F312-K316 PolarHBondContact O-N 3.4Å; F312-K316 VanDerWaalsContact O-N 3.1Å; K313-K316 PolarHBondContact O-N 3.37Å; M314-K316 PolarHBondContact O-N 3.04Å |
| 317 | N | 82.7 | Confident | 86.8 | Confident | 108 Ų | 108 | 59.7 Ų | 59.7 | 58% | 0.578 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -109 | -18.5 | -169 | -64.4 | -5.2 | 0 | 0 | 0 | 113.4 | K313 M314 | K313-N317 WeakPolarHBondContact O-CB 3.19Å; K313-N317 PolarHBondContact O-N 3.25Å; K313-N317 VanDerWaalsContact O-N 3.08Å; M314-N317 PolarHBondContact O-N 3.49Å |
| 318 | E | 80.4 | Confident | 86.7 | Confident | 108 Ų | 108 | 65.9 Ų | 65.9 | 51% | 0.505 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -118.9 | 149.6 | -172.2 | -60.9 | 174.1 | -164.6 | 0 | 0 | 112 | M314 V320 | M314-E318 WeakPolarHBondContact CG-OE2 3.36Å; M314-E318 WeakPolarHBondContact O-CB 3.32Å; M314-E318 PolarHBondContact O-N 3.28Å; E318-V320 HydrophobicContact CB-CG2 4.42Å; E318-V320 PolarHBondContact O-N 3.18Å |
| 319 | V | 83.6 | Confident | 86.6 | Confident | 75 Ų | 75 | 68.4 Ų | 68.4 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | trans | -81.5 | 107.8 | 167.3 | 177.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 320 | V | 80.7 | Confident | 86.3 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -95.4 | 124.8 | -174.3 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | L276 M314 F315 E318 G322 Y323 I325 | L276-V320 HydrophobicContact CD1-CG1 3.53Å; L276-V320 HydrophobicContact CD2-CG1 4.43Å; M314-V320 HydrophobicContact CE-CG1 4.42Å; M314-V320 HydrophobicContact CE-CG2 4.19Å; M314-V320 HydrophobicContact CG-CG2 4.43Å; F315-V320 HydrophobicContact CD1-CB 4.01Å; F315-V320 HydrophobicContact CD1-CG1 4.31Å; F315-V320 HydrophobicContact CD1-CG2 3.62Å; F315-V320 HydrophobicContact CE1-CB 3.91Å; F315-V320 HydrophobicContact CE1-CG1 3.72Å; F315-V320 HydrophobicContact CE1-CG2 3.89Å; F315-V320 HydrophobicContact CG-CG2 4.49Å; E318-V320 HydrophobicContact CB-CG2 4.42Å; E318-V320 PolarHBondContact O-N 3.18Å; V320-G322 PolarHBondContact O-N 3.31Å; V320-Y323 PolarHBondContact N-O 2.94Å; V320-Y323 PolarHBondContact O-N 2.74Å; V320-I325 HydrophobicContact CB-CD1 4.35Å |
| 321 | M | 81.7 | Confident | 85.5 | Confident | 28 Ų | 28 | 66.5 Ų | 66.5 | 14% | 0.138 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 30.1 | -177.8 | -60.2 | -175.9 | -107.5 | 0 | 0 | 114.1 | I268 R272 I273 L276 Y323 | I268-M321 HydrophobicContact CD1-CB 4.28Å; I268-M321 HydrophobicContact CG2-CE 3.46Å; I268-M321 VanDerWaalsContact CG2-CE 3.46Å; I268-M321 HydrophobicContact CG2-SD 3.57Å; I268-M321 VanDerWaalsContact CG2-SD 3.57Å; R272-M321 HydrophobicContact CB-CE 4.46Å; R272-M321 HydrophobicContact CB-SD 3.85Å; I273-M321 HydrophobicContact CB-CE 4.47Å; I273-M321 HydrophobicContact CG1-CE 3.83Å; L276-M321 HydrophobicContact CD1-CE 3.75Å; L276-M321 HydrophobicContact CG-CE 4.26Å; M321-Y323 VanDerWaalsContact C-N 3.3Å; M321-Y323 WeakPolarHBondContact O-CD2 3.33Å |
| 322 | G | 81.2 | Confident | 84.1 | Confident | 59 Ų | 59 | 68.1 Ų | 68.1 | 61% | 0.608 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 0.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V320 | V320-G322 PolarHBondContact O-N 3.31Š|
| 323 | Y | 83.5 | Confident | 82.4 | Confident | 93 Ų | 93 | 71 Ų | 71 | 37% | 0.365 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -121.7 | 135.2 | -179.9 | -60.8 | -87.9 | 0 | 0 | 0 | 112 | P265 I268 V320 M321 I325 | P265-Y323 HydrophobicContact CG-CD1 3.73Å; P265-Y323 HydrophobicContact CG-CE1 4.07Å; P265-Y323 HydrophobicContact CG-CG 4Å; I268-Y323 HydrophobicContact CD1-CD2 3.63Å; I268-Y323 HydrophobicContact CD1-CE2 4.28Å; I268-Y323 HydrophobicContact CD1-CG 4.22Å; I268-Y323 HydrophobicContact CG1-CD2 4.16Å; I268-Y323 HydrophobicContact CG1-CE2 4.31Å; V320-Y323 PolarHBondContact N-O 2.94Å; V320-Y323 PolarHBondContact O-N 2.74Å; M321-Y323 VanDerWaalsContact C-N 3.3Å; M321-Y323 WeakPolarHBondContact O-CD2 3.33Å; Y323-I325 PolarHBondContact O-N 3.08Å; Y323-I325 VanDerWaalsContact O-N 3.12Å |
| 324 | P | 83.5 | Confident | 80.7 | Confident | 112 Ų | 112 | 68.3 Ų | 68.3 | 73% | 0.727 | 37% | 0.374 | S | S | * | . | trans | -73.7 | 101.6 | 169.8 | 29 | -31.6 | 0 | 0 | 0 | 109.4 | ||||
| 325 | I | 87 | Confident | 79 | Confident | 6 Ų | 6 | 73.2 Ų | 73.2 | 3% | 0.031 | 39% | 0.392 | C | S | . | . | trans | -96.2 | 111.6 | -176.2 | -61.3 | 172.1 | 0 | 0 | 0 | 110.2 | L261 V264 I268 F315 V320 Y323 C327 | L261-I325 HydrophobicContact CB-CG2 3.92Å; L261-I325 HydrophobicContact CD1-CG2 4.27Å; L261-I325 HydrophobicContact CD2-CG2 4.24Å; L261-I325 HydrophobicContact CG-CG2 4.37Å; V264-I325 HydrophobicContact CG2-CG2 3.91Å; I268-I325 HydrophobicContact CD1-CD1 3.94Å; F315-I325 HydrophobicContact CD1-CB 4.11Å; F315-I325 HydrophobicContact CD1-CG2 4.28Å; F315-I325 HydrophobicContact CE1-CD1 4.18Å; V320-I325 HydrophobicContact CB-CD1 4.35Å; Y323-I325 PolarHBondContact O-N 3.08Å; Y323-I325 VanDerWaalsContact O-N 3.12Å; I325-C327 PolarHBondContact O-N 3.34Å | ||
| 326 | S | 86.5 | Confident | 77.1 | Confident | 58 Ų | 58 | 81 Ų | 81 | 41% | 0.406 | 42% | 0.421 | S | S | . | . | trans | -67.8 | 128.8 | 175.6 | 154.1 | 0 | 0 | 0 | 0 | 111.2 | K262 | K262-S326 PolarHBondContact N-O 2.68Š| ||
| 327 | C | 91 | Very high | 75.1 | Confident | 16 Ų | 16 | 83.6 Ų | 83.6 | 11% | 0.108 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 154.1 | 177.9 | 74 | 0 | 0 | 0 | 0 | 113.5 | L259 K260 L261 F312 F315 I325 | L259-C327 HydrophobicContact CD1-CB 4.13Å; K260-C327 CarbonylContact O-C 3.49Å; K260-C327 WeakPolarHBondContact O-CA 3.39Å; L261-C327 HydrophobicContact CD2-CB 3.67Å; F312-C327 WeakPolarHBondContact CD2-SG 3.42Å; F315-C327 HydrophobicContact CB-CB 3.83Å; I325-C327 PolarHBondContact O-N 3.34Å |
| 328 | R | 88.8 | Confident | 73.6 | Confident | 151 Ų | 151 | 86.3 Ų | 86.3 | 57% | 0.57 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 140.5 | 172.6 | -69.4 | -162.8 | -179.8 | -175.7 | -2.4 | 110.7 | K260 K262 W330 | K260-R328 PolarHBondContact N-O 2.95Å; K260-R328 PolarHBondContact O-N 2.9Å; K262-R328 VanDerWaalsContact NZ-CZ 3.26Å; R328-W330 PolarHBondContact O-N 2.85Å |
| 329 | L | 89.5 | Confident | 72 | Confident | 86 Ų | 86 | 84.2 Ų | 84.2 | 45% | 0.45 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 125.4 | 169.4 | -65.4 | 173.6 | 0 | 0 | 0 | 109.8 | R308 F312 | R308-L329 HydrophobicContact CG-CD2 4.06Å; F312-L329 HydrophobicContact CB-CD2 4.29Å; F312-L329 HydrophobicContact CD2-CD2 3.99Å; F312-L329 HydrophobicContact CD2-CG 4.01Å; F312-L329 HydrophobicContact CE2-CG 4.15Å; F312-L329 HydrophobicContact CG-CD2 4.13Å; F312-L329 HydrophobicContact CG-CG 4.44Å |
| 330 | W | 83.2 | Confident | 70.4 | Confident | 67 Ų | 67 | 86.9 Ų | 86.9 | 25% | 0.254 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 131.8 | 177.2 | -175.1 | 89.3 | 0 | 0 | 0 | 109.6 | P252 G258 K260 F299 F301 R328 P332 | P252-W330 HydrophobicContact CG-CH2 4.45Å; G258-W330 PolarHBondContact O-N 3.36Å; K260-W330 HydrophobicContact CB-CB 4.14Å; F299-W330 AromaticContact CD1-CD1 3.69Å; F299-W330 HydrophobicContact CD1-CG 4.06Å; F299-W330 AromaticContact CD1-NE1 3.87Å; F299-W330 AromaticContact CE1-CD1 3.46Å; F299-W330 VanDerWaalsContact CE1-CD1 3.46Å; F299-W330 HydrophobicContact CE1-CG 4.27Å; F299-W330 AromaticContact CE1-NE1 3.57Å; F301-W330 HydrophobicContact CD1-CZ3 4.4Å; F301-W330 AromaticContact CE1-CE3 3.84Å; F301-W330 HydrophobicContact CE1-CE3 3.84Å; F301-W330 HydrophobicContact CE1-CH2 4.05Å; F301-W330 AromaticContact CE1-CZ3 3.55Å; F301-W330 HydrophobicContact CE1-CZ3 3.55Å; F301-W330 HydrophobicContact CZ-CZ3 4.43Å; R328-W330 PolarHBondContact O-N 2.85Å; W330-P332 HydrophobicContact CE3-CG 4.36Å; W330-P332 HydrophobicContact CH2-CB 4.12Å; W330-P332 HydrophobicContact CH2-CG 3.92Å; W330-P332 HydrophobicContact CZ3-CB 4.24Å; W330-P332 HydrophobicContact CZ3-CG 3.56Å |
| 331 | V | 73.5 | Confident | 68.8 | Low | 66 Ų | 66 | 90.3 Ų | 90.3 | 40% | 0.4 | 46% | 0.459 | S | S | . | . | trans | -127.8 | 129.9 | 177.8 | -172.9 | 0 | 0 | 0 | 0 | 107.5 | T333 R335 | V331-T333 PolarHBondContact O-N 2.88Å; V331-R335 HydrophobicContact CG1-CB 3.7Å | ||
| 332 | P | 62.9 | Low | 67.1 | Low | 34 Ų | 34 | 95.6 Ų | 95.6 | 22% | 0.221 | 48% | 0.481 | C | S | . | . | trans | -52.5 | 137.9 | 175.3 | -22.2 | 28 | 0 | 0 | 0 | 111 | W330 S334 R335 R336 | W330-P332 HydrophobicContact CE3-CG 4.36Å; W330-P332 HydrophobicContact CH2-CB 4.12Å; W330-P332 HydrophobicContact CH2-CG 3.92Å; W330-P332 HydrophobicContact CZ3-CB 4.24Å; W330-P332 HydrophobicContact CZ3-CG 3.56Å; P332-S334 PolarHBondContact O-N 3.28Å; P332-R335 PolarHBondContact O-N 3.25Å; P332-R336 PolarHBondContact O-N 3.26Å | ||
| 333 | T | 56 | Low | 65.5 | Low | 116 Ų | 116 | 100 Ų | 100 | 71% | 0.712 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -54.7 | -27.9 | -179.4 | 30.8 | 0 | 0 | 0 | 0 | 113.3 | V331 R336 | V331-T333 PolarHBondContact O-N 2.88Å; T333-R336 WeakPolarHBondContact O-CB 3.4Å; T333-R336 PolarHBondContact O-N 3.47Å |
| 334 | S | 54.7 | Low | 63.9 | Low | 84 Ų | 84 | 100.7 Ų | 100.7 | 59% | 0.587 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.4 | -35.6 | 174.6 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | P332 | P332-S334 PolarHBondContact O-N 3.28Å |
| 335 | R | 51.4 | Low | 62.2 | Low | 116 Ų | 116 | 100.9 Ų | 100.9 | 44% | 0.438 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -77.4 | -26.3 | 174.9 | -81.9 | -170.5 | -163 | -172.3 | 6.5 | 112.8 | V331 P332 R337 K338 S339 | V331-R335 HydrophobicContact CG1-CB 3.7Å; P332-R335 PolarHBondContact O-N 3.25Å; R335-R337 VanDerWaalsContact C-N 3.26Å; R335-R337 PolarHBondContact O-N 3.22Å; R335-K338 PolarHBondContact O-N 3.33Å; R335-S339 PolarHBondContact O-N 2.85Å; R335-S339 PolarHBondContact O-OG 3.39Å |
| 336 | R | 50.9 | Low | 60.4 | Low | 169 Ų | 169 | 106.1 Ų | 106.1 | 64% | 0.638 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.6 | -34.2 | 179 | -131.9 | 178.4 | -171 | 177 | 0.6 | 112.1 | P332 T333 S339 Q340 | P332-R336 PolarHBondContact O-N 3.26Å; T333-R336 WeakPolarHBondContact O-CB 3.4Å; T333-R336 PolarHBondContact O-N 3.47Å; R336-S339 PolarHBondContact O-OG 2.88Å; R336-Q340 PolarHBondContact O-N 3.37Å |
| 337 | R | 45.6 | Very low | 58.5 | Low | 203 Ų | 203 | 110.4 Ų | 110.4 | 77% | 0.766 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.8 | -44.5 | 173.7 | -70.7 | -165.2 | 174.7 | -169 | -1.3 | 112.5 | R335 S339 Q340 T341 | R335-R337 VanDerWaalsContact C-N 3.26Å; R335-R337 PolarHBondContact O-N 3.22Å; R337-S339 PolarHBondContact O-N 3.04Å; R337-Q340 PolarHBondContact O-N 3.12Å; R337-T341 PolarHBondContact O-N 3.1Å; R337-T341 VanDerWaalsContact O-N 3.13Å; R337-T341 PolarHBondContact O-OG1 3.48Å |
| 338 | K | 49.7 | Very low | 56.5 | Low | 164 Ų | 164 | 113.7 Ų | 113.7 | 71% | 0.713 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.4 | -36.2 | 179 | -75 | -171.5 | 176.2 | -173.8 | 0 | 113.8 | R335 T341 K342 | R335-K338 PolarHBondContact O-N 3.33Å; K338-T341 WeakPolarHBondContact CA-OG1 3.37Å; K338-T341 PolarHBondContact O-OG1 2.98Å; K338-K342 PolarHBondContact O-N 3.1Å |
| 339 | S | 47.7 | Very low | 54.4 | Low | 65 Ų | 65 | 111.3 Ų | 111.3 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -75.5 | -28.6 | 179.1 | 34.9 | 0 | 0 | 0 | 0 | 112.7 | R335 R336 R337 K343 | R335-S339 PolarHBondContact O-N 2.85Å; R335-S339 PolarHBondContact O-OG 3.39Å; R336-S339 PolarHBondContact O-OG 2.88Å; R337-S339 PolarHBondContact O-N 3.04Å; S339-K343 WeakPolarHBondContact O-CB 3.45Å; S339-K343 PolarHBondContact O-N 2.89Å; S339-K343 VanDerWaalsContact O-N 3.08Å |
| 340 | Q | 48.8 | Very low | 52.4 | Low | 130 Ų | 130 | 112.4 Ų | 112.4 | 61% | 0.607 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -71.4 | -39.5 | 170.1 | -76.9 | -177.3 | -23.4 | 0 | 0 | 112.3 | R336 R337 K343 I344 | R336-Q340 PolarHBondContact O-N 3.37Å; R337-Q340 PolarHBondContact O-N 3.12Å; Q340-K343 PolarHBondContact O-N 3Å; Q340-I344 WeakPolarHBondContact O-CD1 3.2Å; Q340-I344 VanDerWaalsContact O-CG1 3.24Å; Q340-I344 WeakPolarHBondContact O-CG1 3.28Å; Q340-I344 PolarHBondContact O-N 2.7Å; Q340-I344 VanDerWaalsContact O-N 3.13Å |
| 341 | T | 47 | Very low | 50.6 | Low | 73 Ų | 73 | 114.2 Ų | 114.2 | 45% | 0.448 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.9 | -42.3 | 172.6 | 19 | 0 | 0 | 0 | 0 | 112.1 | R337 K338 K343 I344 E345 | R337-T341 PolarHBondContact O-N 3.1Å; R337-T341 VanDerWaalsContact O-N 3.13Å; R337-T341 PolarHBondContact O-OG1 3.48Å; K338-T341 WeakPolarHBondContact CA-OG1 3.37Å; K338-T341 PolarHBondContact O-OG1 2.98Å; T341-K343 PolarHBondContact O-N 2.57Å; T341-I344 PolarHBondContact O-N 3.1Å; T341-I344 VanDerWaalsContact O-N 3.14Å; T341-E345 WeakPolarHBondContact O-CG 3.49Å; T341-E345 PolarHBondContact O-N 3.26Å |
| 342 | K | 46.7 | Very low | 49.2 | Very low | 139 Ų | 139 | 116.3 Ų | 116.3 | 60% | 0.604 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.5 | -40 | 175.8 | -119.9 | -172.5 | 179.2 | -163.2 | 0 | 113.2 | K338 I344 E345 E346 | K338-K342 PolarHBondContact O-N 3.1Å; K342-I344 PolarHBondContact O-N 3.44Å; K342-E345 PolarHBondContact O-N 3.11Å; K342-E346 PolarHBondContact O-N 3.47Å |
| 343 | K | 47.1 | Very low | 48 | Very low | 151 Ų | 151 | 121.7 Ų | 121.7 | 66% | 0.657 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.5 | -20.9 | 176.5 | -127.4 | 178.7 | -175.4 | -176 | 0 | 113.5 | S339 Q340 T341 K347 | S339-K343 WeakPolarHBondContact O-CB 3.45Å; S339-K343 PolarHBondContact O-N 2.89Å; S339-K343 VanDerWaalsContact O-N 3.08Å; Q340-K343 PolarHBondContact O-N 3Å; T341-K343 PolarHBondContact O-N 2.57Å; K343-K347 WeakPolarHBondContact O-CB 3.11Å; K343-K347 WeakPolarHBondContact O-CG 3.41Å |
| 344 | I | 50.8 | Low | 47 | Very low | 108 Ų | 108 | 122.6 Ų | 122.6 | 55% | 0.554 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -83.6 | -39.9 | 172.8 | -67.8 | 165 | 0 | 0 | 0 | 109.7 | Q340 T341 K342 K347 V348 | Q340-I344 WeakPolarHBondContact O-CD1 3.2Å; Q340-I344 VanDerWaalsContact O-CG1 3.24Å; Q340-I344 WeakPolarHBondContact O-CG1 3.28Å; Q340-I344 PolarHBondContact O-N 2.7Å; Q340-I344 VanDerWaalsContact O-N 3.13Å; T341-I344 PolarHBondContact O-N 3.1Å; T341-I344 VanDerWaalsContact O-N 3.14Å; K342-I344 PolarHBondContact O-N 3.44Å; I344-K347 PolarHBondContact O-N 2.95Å; I344-V348 VanDerWaalsContact O-CG2 3.26Å; I344-V348 WeakPolarHBondContact O-CG2 3.2Å; I344-V348 PolarHBondContact O-N 3.3Å |
| 345 | E | 47 | Very low | 45.8 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 54% | 0.542 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.6 | -40.9 | 177 | -73.5 | 171.7 | 177.2 | 0 | 0 | 112.9 | T341 K342 V348 N349 | T341-E345 WeakPolarHBondContact O-CG 3.49Å; T341-E345 PolarHBondContact O-N 3.26Å; K342-E345 PolarHBondContact O-N 3.11Å; E345-V348 PolarHBondContact O-N 3.13Å; E345-N349 PolarHBondContact O-N 3.41Å |
| 346 | E | 49.3 | Very low | 45 | Very low | 116 Ų | 116 | 133 Ų | 133 | 54% | 0.542 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -63.6 | -42.7 | 172.3 | -88.8 | 171.9 | 169.2 | 0 | 0 | 111.6 | K342 V348 N349 D350 | K342-E346 PolarHBondContact O-N 3.47Å; E346-V348 VanDerWaalsContact C-N 3.3Å; E346-V348 PolarHBondContact O-N 3.35Å; E346-N349 PolarHBondContact O-N 3.18Å; E346-D350 PolarHBondContact O-N 3.39Å |
| 347 | K | 48 | Very low | 44.3 | Very low | 148 Ų | 148 | 131.2 Ų | 131.2 | 64% | 0.643 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -64.5 | -32.5 | 175.7 | -82.3 | -171.1 | 172.2 | -163.8 | 0 | 113.1 | K343 I344 T351 | K343-K347 WeakPolarHBondContact O-CB 3.11Å; K343-K347 WeakPolarHBondContact O-CG 3.41Å; I344-K347 PolarHBondContact O-N 2.95Å; K347-T351 WeakPolarHBondContact O-CB 3.38Å; K347-T351 PolarHBondContact O-N 3.2Å; K347-T351 PolarHBondContact O-OG1 3.23Å |
| 348 | V | 48.2 | Very low | 43.5 | Very low | 85 Ų | 85 | 127.2 Ų | 127.2 | 52% | 0.515 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -73.2 | -34.5 | 175.7 | 171.2 | 0 | 0 | 0 | 0 | 111 | I344 E345 E346 V352 | I344-V348 VanDerWaalsContact O-CG2 3.26Å; I344-V348 WeakPolarHBondContact O-CG2 3.2Å; I344-V348 PolarHBondContact O-N 3.3Å; E345-V348 PolarHBondContact O-N 3.13Å; E346-V348 VanDerWaalsContact C-N 3.3Å; E346-V348 PolarHBondContact O-N 3.35Å; V348-V352 VanDerWaalsContact O-CG2 3.31Å; V348-V352 WeakPolarHBondContact O-CG2 3.22Å; V348-V352 PolarHBondContact O-N 3.12Å |
| 349 | N | 45.5 | Very low | 42.7 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 54% | 0.54 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -75.2 | -38.2 | 178.1 | -71.1 | -16.6 | 0 | 0 | 0 | 112.9 | E345 E346 T351 V352 L353 | E345-N349 PolarHBondContact O-N 3.41Å; E346-N349 PolarHBondContact O-N 3.18Å; N349-T351 VanDerWaalsContact C-N 3.27Å; N349-T351 PolarHBondContact O-N 2.93Å; N349-V352 PolarHBondContact O-N 3.38Å; N349-L353 PolarHBondContact O-N 3.18Å |
| 350 | D | 45.9 | Very low | 41.9 | Very low | 110 Ų | 110 | 131 Ų | 131 | 59% | 0.588 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -68.3 | -27.6 | 176.5 | -70.9 | -20.1 | 0 | 0 | 0 | 112.5 | E346 V352 | E346-D350 PolarHBondContact O-N 3.39Å; D350-V352 VanDerWaalsContact C-N 3.34Å |
| 351 | T | 46.3 | Very low | 40.9 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 64% | 0.644 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -80.6 | -15.3 | 177.8 | -43.2 | 0 | 0 | 0 | 0 | 112.6 | K347 N349 | K347-T351 WeakPolarHBondContact O-CB 3.38Å; K347-T351 PolarHBondContact O-N 3.2Å; K347-T351 PolarHBondContact O-OG1 3.23Å; N349-T351 VanDerWaalsContact C-N 3.27Å; N349-T351 PolarHBondContact O-N 2.93Å |
| 352 | V | 43.2 | Very low | 40.3 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 67% | 0.667 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -99.4 | -13.6 | -179.1 | 175.5 | 0 | 0 | 0 | 0 | 112.6 | V348 N349 D350 | V348-V352 VanDerWaalsContact O-CG2 3.31Å; V348-V352 WeakPolarHBondContact O-CG2 3.22Å; V348-V352 PolarHBondContact O-N 3.12Å; N349-V352 PolarHBondContact O-N 3.38Å; D350-V352 VanDerWaalsContact C-N 3.34Å |
| 353 | L | 39.5 | Very low | 39.3 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 76% | 0.764 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -103.8 | -3.6 | 177.5 | -73.5 | 173 | 0 | 0 | 0 | 115.6 | N349 Y355 | N349-L353 PolarHBondContact O-N 3.18Å; L353-Y355 PolarHBondContact O-N 3.44Å |
| 354 | N | 33.7 | Very low | 38.6 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | trans | -102.8 | 66.5 | 176 | -92.3 | -16.5 | 0 | 0 | 0 | 112.8 | ||||
| 355 | Y | 29.4 | Very low | 37.6 | Very low | 220 Ų | 220 | 142.1 Ų | 142.1 | 86% | 0.863 | 72% | 0.722 | S | S | * | * | trans | -121.2 | 73.8 | 149.9 | -78.9 | -84.4 | 0 | 0 | 0 | 108.3 | L353 | L353-Y355 PolarHBondContact O-N 3.44Š| ||
| 356 | K | 36 | Very low | 37 | Very low | 198 Ų | 198 | 144.4 Ų | 144.4 | 86% | 0.861 | 74% | 0.737 | S | S | * | * | trans | -129.3 | 128.3 | 155.9 | -92.3 | -174.8 | 176.8 | -178.7 | 0 | 109 | ||||
| 357 | V | 34.5 | Very low | 35.8 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | trans | -47.1 | 141.7 | -177.6 | 178 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 358 | P | 29.8 | Very low | 35.2 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | -72.9 | 136.8 | -179.9 | 30.5 | -32.7 | 0 | 0 | 0 | 110.7 | ||||
| 359 | K | 33 | Very low | 34.3 | Very low | 209 Ų | 209 | 147.3 Ų | 147.3 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | -107.7 | 138 | 161.2 | -79.3 | -173.7 | 176.9 | -177 | 0 | 109.3 | ||||
| 360 | S | 30.2 | Very low | 33.4 | Very low | 98 Ų | 98 | 153.6 Ų | 153.6 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | -72.4 | 155.6 | -174 | 45.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 361 | N | 28.8 | Very low | 32.8 | Very low | 147 Ų | 147 | 155.5 Ų | 155.5 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | 78 | 109.6 | 161 | -54.3 | -11.1 | 0 | 0 | 0 | 116.6 | ||||
| 362 | E | 33.2 | Very low | 32 | Very low | 196 Ų | 196 | 159.9 Ų | 159.9 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | -176.8 | 140.8 | 104.7 | -97.4 | 175.7 | -176.2 | 0 | 0 | 111.7 | |||||
| 363 | L | 26.4 | Very low | 31.4 | Very low | 164 Ų | 164 | 158 Ų | 158 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | trans | -71 | 137.9 | 176.8 | -68.6 | 144.3 | 0 | 0 | 0 | 110.2 | ||||
| 364 | H | 33.1 | Very low | 31.1 | Very low | 174 Ų | 174 | 161.2 Ų | 161.2 | 81% | 0.806 | 82% | 0.822 | S | S | * | * | -171.8 | 146.8 | 120.1 | -116.8 | -89.2 | 0 | 0 | 0 | 113.3 | |||||
| 365 | E | 29.2 | Very low | 30.8 | Very low | 155 Ų | 155 | 161.4 Ų | 161.4 | 72% | 0.724 | 83% | 0.832 | S | S | * | * | trans | -58.9 | 152.2 | -175.4 | -56.8 | 165.9 | 133.5 | 0 | 0 | 114.4 | ||||
| 366 | N | 33 | Very low | 30.7 | Very low | 163 Ų | 163 | 154.1 Ų | 154.1 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | trans | -156.8 | 97.4 | 148.2 | -91.3 | -40.6 | 0 | 0 | 0 | 110.5 | ||||
| 367 | G | 25.2 | Very low | 30.4 | Very low | 80 Ų | 80 | 152.8 Ų | 152.8 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | -82.5 | 122 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 368 | I | 34.9 | Very low | 30.3 | Very low | 137 Ų | 137 | 152.4 Ų | 152.4 | 70% | 0.703 | 82% | 0.824 | S | S | * | * | trans | -107.4 | 109 | 171.2 | -61.5 | 177.2 | 0 | 0 | 0 | 108.8 | ||||
| 369 | K | 28.9 | Very low | 30.3 | Very low | 194 Ų | 194 | 151.4 Ų | 151.4 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 121.9 | 172.4 | -165.3 | 176.7 | -175.2 | 177 | 0 | 108.7 | ||
| 370 | W | 28.3 | Very low | 30.3 | Very low | 232 Ų | 232 | 147 Ų | 147 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 116.3 | 172.3 | -70.8 | 83.7 | 0 | 0 | 0 | 109.6 | ||
| 371 | N | 31.3 | Very low | 30.5 | Very low | 151 Ų | 151 | 147.1 Ų | 147.1 | 81% | 0.807 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 124.6 | 169 | -109.7 | -2.4 | 0 | 0 | 0 | 109.9 | ||
| 372 | M | 29.9 | Very low | 31 | Very low | 196 Ų | 196 | 149.6 Ų | 149.6 | 97% | 0.966 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 134.8 | 169 | -81.3 | -118.7 | -90.4 | 0 | 0 | 110 | ||
| 373 | G | 30.4 | Very low | 31.8 | Very low | 71 Ų | 71 | 142.5 Ų | 142.5 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | -146.9 | 92.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 374 | K | 32.8 | Very low | 33.1 | Very low | 213 Ų | 213 | 143.9 Ų | 143.9 | 93% | 0.926 | 79% | 0.791 | S | S | * | * | trans | 58 | 122.9 | 139.1 | -64.4 | -177.1 | 178.1 | 179.6 | 0 | 121.3 | ||||
| 375 | C | 27.4 | Very low | 34.2 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 95% | 0.946 | 78% | 0.781 | S | S | * | * | trans | -64.5 | 142.8 | 163 | -61 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 376 | G | 28.4 | Very low | 35.8 | Very low | 68 Ų | 68 | 136.6 Ų | 136.6 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | -147 | 124.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 377 | N | 28.9 | Very low | 36.8 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 90% | 0.904 | 75% | 0.751 | S | S | * | * | trans | 17 | 116.5 | 160.2 | -64.5 | -14.9 | 0 | 0 | 0 | 119.8 | ||||
| 378 | V | 32.2 | Very low | 38.4 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | trans | -94.8 | 101.6 | 168.6 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 379 | S | 31.4 | Very low | 38.8 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | trans | -74.1 | 139.6 | 157 | 167.3 | 0 | 0 | 0 | 0 | 108.9 | S381 | S379-S381 VanDerWaalsContact C-N 3.3Å; S379-S381 PolarHBondContact O-N 3.04Å | ||
| 380 | S | 31.5 | Very low | 39.3 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | trans | -69.1 | 79.9 | -179.3 | 56.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 381 | S | 36.1 | Very low | 39.8 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 127.6 | 167.2 | 63.6 | 0 | 0 | 0 | 0 | 109.8 | S379 | S379-S381 VanDerWaalsContact C-N 3.3Å; S379-S381 PolarHBondContact O-N 3.04Å |
| 382 | F | 38.7 | Very low | 39.9 | Very low | 199 Ų | 199 | 123 Ų | 123 | 87% | 0.873 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 133.6 | 166.3 | -77.4 | -93 | 0 | 0 | 0 | 109.8 | K384 | F382-K384 PolarHBondContact O-N 3.23Š|
| 383 | P | 49.8 | Very low | 39.9 | Very low | 47 Ų | 47 | 126.7 Ų | 126.7 | 31% | 0.305 | 73% | 0.73 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 130.5 | -179.2 | 24.3 | -31.6 | 0 | 0 | 0 | 109.6 | L276 M314 K385 | L276-P383 HydrophobicContact CD2-CB 4.23Å; L276-P383 HydrophobicContact CD2-CG 3.74Å; M314-P383 HydrophobicContact CE-CB 4.34Å; P383-K385 PolarHBondContact O-N 3.3Å |
| 384 | K | 53.1 | Low | 40.4 | Very low | 193 Ų | 193 | 129.5 Ų | 129.5 | 84% | 0.839 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 124.6 | 174 | -72.5 | 178.5 | 179.6 | 175.6 | 0 | 108.5 | F382 L386 | F382-K384 PolarHBondContact O-N 3.23Å; K384-L386 PolarHBondContact O-N 3.15Å |
| 385 | K | 56.5 | Low | 40.8 | Very low | 138 Ų | 138 | 125.1 Ų | 125.1 | 60% | 0.6 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 131.4 | 174.3 | -167.5 | 174.2 | -175 | 177.3 | 0 | 108.8 | P383 V387 | P383-K385 PolarHBondContact O-N 3.3Å; K385-V387 PolarHBondContact O-N 3.38Å; K385-V387 VanDerWaalsContact O-N 3.12Å |
| 386 | L | 63.9 | Low | 41.5 | Very low | 38 Ų | 38 | 124.2 Ų | 124.2 | 20% | 0.199 | 71% | 0.707 | C | S | . | * | trans | -66.8 | 112.1 | 175.8 | -102.4 | 161.1 | 0 | 0 | 0 | 108.7 | L276 F277 P278 A310 M314 K384 F388 | L276-L386 PolarHBondContact O-N 3.46Å; F277-L386 HydrophobicContact CD1-CD1 4.11Å; F277-L386 HydrophobicContact CE1-CD1 3.75Å; P278-L386 VanDerWaalsContact CD-O 3.28Å; P278-L386 WeakPolarHBondContact CD-O 3.35Å; P278-L386 WeakPolarHBondContact CG-O 3.32Å; A310-L386 HydrophobicContact CB-CD2 4.38Å; M314-L386 HydrophobicContact CB-CD1 4.38Å; M314-L386 HydrophobicContact SD-CD1 3.55Å; M314-L386 VanDerWaalsContact SD-CD1 3.55Å; M314-L386 HydrophobicContact SD-CG 4.28Å; K384-L386 PolarHBondContact O-N 3.15Å; L386-F388 HydrophobicContact CB-CE2 4.37Å; L386-F388 HydrophobicContact CB-CZ 4.32Å; L386-F388 HydrophobicContact CD1-CZ 4.39Å; L386-F388 HydrophobicContact CD2-CE1 4.31Å; L386-F388 HydrophobicContact CD2-CZ 4.39Å | ||
| 387 | V | 52.4 | Low | 42.3 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 122.5 | 169.2 | -177.4 | 0 | 0 | 0 | 0 | 107.2 | K385 | K385-V387 PolarHBondContact O-N 3.38Å; K385-V387 VanDerWaalsContact O-N 3.12Å |
| 388 | F | 59.9 | Low | 43.1 | Very low | 44 Ų | 44 | 124.9 Ų | 124.9 | 19% | 0.193 | 70% | 0.695 | C | S | . | * | P | Polyproline II helix | trans | -97.6 | 124.7 | 171.7 | -67 | -66.7 | 0 | 0 | 0 | 107.8 | P278 S281 Q307 A310 L386 S390 | P278-F388 HydrophobicContact CG-CD2 3.81Å; P278-F388 HydrophobicContact CG-CE2 4.3Å; S281-F388 WeakPolarHBondContact OG-CD2 3.36Å; S281-F388 WeakPolarHBondContact OG-CE2 3.41Å; Q307-F388 HydrophobicContact CB-CE1 3.96Å; Q307-F388 HydrophobicContact CB-CE2 4.2Å; Q307-F388 HydrophobicContact CB-CZ 3.78Å; Q307-F388 HydrophobicContact CG-CD1 3.84Å; Q307-F388 HydrophobicContact CG-CD2 4.02Å; Q307-F388 HydrophobicContact CG-CE1 3.8Å; Q307-F388 HydrophobicContact CG-CE2 3.97Å; Q307-F388 HydrophobicContact CG-CG 3.96Å; Q307-F388 HydrophobicContact CG-CZ 3.86Å; A310-F388 HydrophobicContact CB-CE1 3.75Å; A310-F388 HydrophobicContact CB-CZ 4.38Å; L386-F388 HydrophobicContact CB-CE2 4.37Å; L386-F388 HydrophobicContact CB-CZ 4.32Å; L386-F388 HydrophobicContact CD1-CZ 4.39Å; L386-F388 HydrophobicContact CD2-CE1 4.31Å; L386-F388 HydrophobicContact CD2-CZ 4.39Å; F388-S390 PolarHBondContact O-N 3.31Å |
| 389 | E | 42.4 | Very low | 43.8 | Very low | 183 Ų | 183 | 125 Ų | 125 | 86% | 0.855 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -62 | 129.1 | 169 | -71.9 | 175.6 | 166.8 | 0 | 0 | 108.9 | D391 | E389-D391 PolarHBondContact O-N 2.86Š|
| 390 | S | 40.1 | Very low | 44.7 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 81% | 0.811 | 69% | 0.691 | S | S | * | * | trans | -77.6 | 111.1 | 173.8 | -54.1 | 0 | 0 | 0 | 0 | 107.8 | F388 G392 | F388-S390 PolarHBondContact O-N 3.31Å; S390-G392 PolarHBondContact O-N 3.48Å | ||
| 391 | D | 38.6 | Very low | 45.8 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 69% | 0.69 | 68% | 0.682 | S | S | * | * | trans | -61.5 | 121.4 | 163.2 | -51.4 | -53.7 | 0 | 0 | 0 | 107.3 | K304 E389 | K304-D391 IonicContact NZ-OD2 3.08Å; K304-D391 PolarHBondContact NZ-OD2 3.44Å; E389-D391 PolarHBondContact O-N 2.86Å | ||
| 392 | G | 33.6 | Very low | 46.6 | Very low | 73 Ų | 73 | 130 Ų | 130 | 75% | 0.753 | 68% | 0.68 | S | S | * | * | trans | -55.5 | 152.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | S390 | S390-G392 PolarHBondContact O-N 3.48Š| ||
| 393 | E | 29.6 | Very low | 47.3 | Very low | 273 Ų | 273 | 123.7 Ų | 123.7 | 100% | 1.276 | 66% | 0.663 | S | S | * | * | trans | -50.7 | 0 | 178.5 | -73.4 | -178.4 | 142 | 0 | 0 | 114.6 |
Retrieved 393 of 393 residues in 637.2 ms
(Link to these results)