| 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 | 39.4 | Very low | 36.3 | Very low | 238 Ų | 238 | 181.4 Ų | 181.4 | 100% | 1.172 | 87% | 0.867 | S | S | * | * | 0 | 77.7 | 0 | -71.4 | 174.7 | -179.6 | 0 | 0 | 108.2 | |||||
| 2 | I | 32.7 | Very low | 36.3 | Very low | 165 Ų | 165 | 180.9 Ų | 180.9 | 85% | 0.846 | 87% | 0.871 | S | S | * | * | 59 | 98.8 | 104 | -54.8 | 173.3 | 0 | 0 | 0 | 114.1 | |||||
| 3 | S | 37.5 | Very low | 36.4 | Very low | 109 Ų | 109 | 176 Ų | 176 | 76% | 0.762 | 87% | 0.867 | S | S | * | * | trans | -175 | 99.3 | 132.3 | 47.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 4 | R | 36 | Very low | 36.3 | Very low | 244 Ų | 244 | 169.3 Ų | 169.3 | 92% | 0.921 | 87% | 0.866 | S | S | * | * | 75.4 | 93.4 | 100.9 | -79 | -173 | 177.9 | -177.9 | 1.6 | 114.8 | |||||
| 5 | I | 36.9 | Very low | 35.9 | Very low | 167 Ų | 167 | 166.6 Ų | 166.6 | 86% | 0.856 | 87% | 0.866 | S | S | * | * | trans | -113.7 | 122.4 | 157.3 | -63.2 | 171.8 | 0 | 0 | 0 | 107.2 | ||||
| 6 | R | 35.8 | Very low | 36 | Very low | 240 Ų | 240 | 170.2 Ų | 170.2 | 91% | 0.906 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 134.8 | 168 | -87.2 | -176.8 | 171.2 | -169.4 | -2.3 | 108.5 | ||
| 7 | P | 36.1 | Very low | 36.1 | Very low | 112 Ų | 112 | 171.5 Ų | 171.5 | 73% | 0.727 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 138.9 | 167.8 | 33.9 | -27.3 | 0 | 0 | 0 | 110.8 | ||
| 8 | F | 37.7 | Very low | 36.1 | Very low | 205 Ų | 205 | 165.9 Ų | 165.9 | 90% | 0.899 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 119.3 | 171.8 | -123.5 | -95.5 | 0 | 0 | 0 | 109 | ||
| 9 | F | 33.4 | Very low | 35.9 | Very low | 191 Ų | 191 | 164.7 Ų | 164.7 | 84% | 0.838 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 135.9 | 165.8 | -96.1 | -100.7 | 0 | 0 | 0 | 109.2 | ||
| 10 | H | 39.9 | Very low | 35.6 | Very low | 177 Ų | 177 | 168.6 Ų | 168.6 | 82% | 0.819 | 87% | 0.865 | S | S | * | * | trans | -131.2 | 125.1 | 156.2 | -134.8 | -83.9 | 0 | 0 | 0 | 110.5 | ||||
| 11 | N | 34.3 | Very low | 35.6 | Very low | 147 Ų | 147 | 166.1 Ų | 166.1 | 79% | 0.786 | 86% | 0.863 | S | S | * | * | trans | -58 | 128.7 | 175 | -98.8 | -52.4 | 0 | 0 | 0 | 111.4 | ||||
| 12 | L | 36 | Very low | 35.3 | Very low | 176 Ų | 176 | 162 Ų | 162 | 92% | 0.921 | 84% | 0.844 | S | S | * | * | trans | -120.3 | 100.9 | 157.3 | -88.6 | 161.3 | 0 | 0 | 0 | 107.6 | ||||
| 13 | S | 37.3 | Very low | 35.2 | Very low | 117 Ų | 117 | 162 Ų | 162 | 82% | 0.818 | 85% | 0.845 | S | S | * | * | trans | -86.7 | 121 | 168.2 | 37.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 14 | G | 35.8 | Very low | 35 | Very low | 82 Ų | 82 | 165.3 Ų | 165.3 | 85% | 0.845 | 85% | 0.846 | S | S | * | * | trans | 150.5 | 62 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 15 | C | 30.2 | Very low | 34.8 | Very low | 129 Ų | 129 | 165.1 Ų | 165.1 | 87% | 0.872 | 85% | 0.845 | S | S | * | * | trans | -129.2 | 127.7 | 173.9 | -147.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 16 | R | 36.5 | Very low | 34.9 | Very low | 224 Ų | 224 | 164.5 Ų | 164.5 | 85% | 0.845 | 84% | 0.842 | S | S | * | * | trans | -137.8 | 115.6 | 165.1 | -115 | -173.3 | -177.6 | -163.9 | 1.5 | 108.5 | ||||
| 17 | F | 37.9 | Very low | 34.8 | Very low | 192 Ų | 192 | 163.9 Ų | 163.9 | 84% | 0.842 | 84% | 0.841 | S | S | * | * | trans | 67.7 | 125.4 | 168.9 | -60.2 | -85.3 | 0 | 0 | 0 | 116 | ||||
| 18 | G | 35.8 | Very low | 34.7 | Very low | 72 Ų | 72 | 161.8 Ų | 161.8 | 74% | 0.742 | 84% | 0.84 | S | S | * | * | cis | 178.2 | 165.7 | 6.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 19 | C | 32.7 | Very low | 34.6 | Very low | 143 Ų | 143 | 160.2 Ų | 160.2 | 97% | 0.966 | 84% | 0.841 | S | S | * | * | trans | 81.2 | 113 | 179.2 | -97.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 20 | R | 30.6 | Very low | 34.6 | Very low | 241 Ų | 241 | 154.3 Ų | 154.3 | 91% | 0.909 | 83% | 0.834 | S | S | * | * | trans | -70.7 | 134 | 177 | -70 | 168.2 | 156.1 | -166 | -6.7 | 111.3 | ||||
| 21 | S | 34.8 | Very low | 34.3 | Very low | 117 Ų | 117 | 151.5 Ų | 151.5 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -162.6 | 112.7 | 144.5 | -74.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 22 | I | 32.8 | Very low | 34.2 | Very low | 153 Ų | 153 | 152.5 Ų | 152.5 | 79% | 0.785 | 84% | 0.839 | S | S | * | * | trans | -81.5 | 122.6 | 172.3 | -74.7 | 159.9 | 0 | 0 | 0 | 106.6 | F24 | I22-F24 HydrophobicContact CG2-CD2 4.19Å; I22-F24 HydrophobicContact CG2-CE2 4.23Å | ||
| 23 | L | 32.2 | Very low | 33.9 | Very low | 164 Ų | 164 | 153.5 Ų | 153.5 | 86% | 0.859 | 84% | 0.836 | S | S | * | * | trans | -124 | 114.4 | 170.3 | -129.7 | 92.1 | 0 | 0 | 0 | 110 | ||||
| 24 | F | 32.7 | Very low | 33.6 | Very low | 179 Ų | 179 | 153.6 Ų | 153.6 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | trans | -72.9 | 133.1 | 162.6 | -83.5 | -95.2 | 0 | 0 | 0 | 108.8 | I22 | I22-F24 HydrophobicContact CG2-CD2 4.19Å; I22-F24 HydrophobicContact CG2-CE2 4.23Å | ||
| 25 | R | 31.2 | Very low | 33.4 | Very low | 240 Ų | 240 | 157 Ų | 157 | 91% | 0.906 | 83% | 0.832 | S | S | * | * | trans | -97.7 | 102.4 | 173.9 | -165.9 | 168.3 | -174.3 | 164.4 | 0.2 | 108.6 | ||||
| 26 | I | 38.9 | Very low | 33.6 | Very low | 154 Ų | 154 | 158.7 Ų | 158.7 | 79% | 0.79 | 83% | 0.833 | S | S | * | * | trans | -99.3 | 130.8 | 166.7 | -63.1 | 179.1 | 0 | 0 | 0 | 107.3 | ||||
| 27 | Y | 33.8 | Very low | 33.2 | Very low | 226 Ų | 226 | 157.5 Ų | 157.5 | 89% | 0.886 | 83% | 0.834 | S | S | * | * | trans | -66.3 | 134.7 | 170.9 | -99.5 | -104.7 | 0 | 0 | 0 | 110.1 | ||||
| 28 | G | 34.1 | Very low | 33.2 | Very low | 68 Ų | 68 | 153.6 Ų | 153.6 | 70% | 0.701 | 83% | 0.831 | S | S | * | * | trans | 139.1 | 115.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 29 | D | 35.4 | Very low | 33.5 | Very low | 173 Ų | 173 | 155.1 Ų | 155.1 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | trans | 4.2 | 132.6 | 159.6 | -58.3 | -36.7 | 0 | 0 | 0 | 119.8 | ||||
| 30 | G | 34 | Very low | 33.9 | Very low | 67 Ų | 67 | 159.4 Ų | 159.4 | 69% | 0.691 | 83% | 0.826 | S | S | * | * | trans | 99.5 | 101.9 | 145.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 31 | S | 33.9 | Very low | 34.1 | Very low | 118 Ų | 118 | 157.1 Ų | 157.1 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | 50.4 | 112.1 | 146.7 | 55.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 32 | L | 31.7 | Very low | 34.2 | Very low | 168 Ų | 168 | 156.8 Ų | 156.8 | 88% | 0.88 | 82% | 0.82 | S | S | * | * | trans | -132.3 | 112.3 | 162 | -94.1 | 152.2 | 0 | 0 | 0 | 110.5 | ||||
| 33 | F | 29.7 | Very low | 34.4 | Very low | 196 Ų | 196 | 153.8 Ų | 153.8 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -82.7 | 134.8 | 163.7 | -98.9 | -98 | 0 | 0 | 0 | 109.1 | ||||
| 34 | C | 30.4 | Very low | 34.7 | Very low | 119 Ų | 119 | 153 Ų | 153 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -127.9 | 118.2 | 163.7 | -87 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 35 | I | 32.9 | Very low | 34.9 | Very low | 153 Ų | 153 | 152.2 Ų | 152.2 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -90.5 | 133.4 | 171.4 | -56.1 | 167 | 0 | 0 | 0 | 106.6 | ||||
| 36 | N | 32.7 | Very low | 35.2 | Very low | 165 Ų | 165 | 149.6 Ų | 149.6 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | -134.9 | 133.1 | 167 | -105.2 | -44.7 | 0 | 0 | 0 | 111.9 | ||||
| 37 | F | 30.1 | Very low | 35 | Very low | 199 Ų | 199 | 147.5 Ų | 147.5 | 87% | 0.873 | 80% | 0.803 | S | S | * | * | trans | -101.8 | 129.8 | -164.3 | -166 | -95.9 | 0 | 0 | 0 | 109.5 | ||||
| 38 | S | 37.3 | Very low | 35.5 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -146.2 | 127.5 | 167.4 | -177.3 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 39 | S | 41.2 | Very low | 35.7 | Very low | 104 Ų | 104 | 149.4 Ų | 149.4 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | cis | -171.4 | 171.3 | 46 | 35 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 40 | R | 40.6 | Very low | 36.1 | Very low | 233 Ų | 233 | 149.4 Ų | 149.4 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -72 | 149 | -177.6 | -66.1 | 171.8 | 167.2 | -166.9 | -5.7 | 114.3 | ||||
| 41 | F | 36.5 | Very low | 36.7 | Very low | 193 Ų | 193 | 151.9 Ų | 151.9 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | 56.2 | 105.5 | 138.2 | -92.9 | -101.1 | 0 | 0 | 0 | 120.8 | ||||
| 42 | S | 36.1 | Very low | 37.1 | Very low | 109 Ų | 109 | 157.6 Ų | 157.6 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | 169.7 | 129.4 | 96.4 | -79.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 43 | A | 37.5 | Very low | 38 | Very low | 90 Ų | 90 | 154.1 Ų | 154.1 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | trans | 9.1 | 128.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 44 | L | 37.6 | Very low | 38.8 | Very low | 149 Ų | 149 | 154.5 Ų | 154.5 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | -177.1 | 132.8 | 86.2 | -81.8 | 172.4 | 0 | 0 | 0 | 110.2 | |||||
| 45 | F | 37.3 | Very low | 39.9 | Very low | 161 Ų | 161 | 156.3 Ų | 156.3 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | 56.5 | 98.5 | 143.7 | -80.8 | -91.6 | 0 | 0 | 0 | 121.6 | ||||
| 46 | F | 36.8 | Very low | 40.7 | Very low | 185 Ų | 185 | 157 Ų | 157 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | 151.6 | 129.7 | 110.6 | -91 | -77.3 | 0 | 0 | 0 | 110 | |||||
| 47 | P | 35 | Very low | 41.1 | Very low | 110 Ų | 110 | 154 Ų | 154 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | trans | -88.7 | 143.6 | -177.2 | 35.7 | -29.1 | 0 | 0 | 0 | 110.1 | ||||
| 48 | E | 44.4 | Very low | 41.6 | Very low | 176 Ų | 176 | 148.3 Ų | 148.3 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -176.4 | 120.5 | 139.3 | -103 | 176.2 | -152.8 | 0 | 0 | 112 | ||||
| 49 | L | 39.7 | Very low | 41.7 | Very low | 158 Ų | 158 | 152.7 Ų | 152.7 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | 39.8 | 87.9 | 146.6 | -63.7 | 160 | 0 | 0 | 0 | 118.3 | ||||
| 50 | L | 42.1 | Very low | 41.5 | Very low | 174 Ų | 174 | 153.1 Ų | 153.1 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | trans | -97.9 | 93.2 | 160.3 | -91.1 | 164.2 | 0 | 0 | 0 | 111.1 | ||||
| 51 | T | 47.2 | Very low | 41.4 | Very low | 119 Ų | 119 | 150.1 Ų | 150.1 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | trans | -55.6 | 126.7 | 154.5 | 15.3 | 0 | 0 | 0 | 0 | 109.5 | T53 | T51-T53 PolarHBondContact O-N 3.08Å; T51-T53 VanDerWaalsContact O-N 3.11Å | ||
| 52 | R | 42.4 | Very low | 41.5 | Very low | 237 Ų | 237 | 149.2 Ų | 149.2 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | trans | -71.4 | 102.3 | 175.7 | -77.3 | -177.5 | 165.6 | -161.6 | -3.4 | 110.2 | ||||
| 53 | T | 49.8 | Very low | 42.1 | Very low | 96 Ų | 96 | 148.3 Ų | 148.3 | 59% | 0.589 | 78% | 0.782 | S | S | * | * | trans | -87.6 | 120.8 | 163.9 | 44.6 | 0 | 0 | 0 | 0 | 109.7 | T51 H55 | T51-T53 PolarHBondContact O-N 3.08Å; T51-T53 VanDerWaalsContact O-N 3.11Å; T53-H55 PolarHBondContact O-N 3.31Å; T53-H55 PolarHBondContact OG1-CD2 3.5Å; T53-H55 PolarHBondContact OG1-NE2 3.09Å | ||
| 54 | F | 48 | Very low | 43.1 | Very low | 203 Ų | 203 | 151.6 Ų | 151.6 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | trans | -67.7 | 108.2 | 164.4 | -66.8 | -88 | 0 | 0 | 0 | 107.8 | ||||
| 55 | H | 53.7 | Low | 44.6 | Very low | 158 Ų | 158 | 149.8 Ų | 149.8 | 73% | 0.731 | 76% | 0.761 | S | S | * | * | trans | -90.4 | 123 | 168.5 | -75.4 | -79.6 | 0 | 0 | 0 | 109 | T53 S57 | T53-H55 PolarHBondContact O-N 3.31Å; T53-H55 PolarHBondContact OG1-CD2 3.5Å; T53-H55 PolarHBondContact OG1-NE2 3.09Å; H55-S57 PolarHBondContact O-N 3.16Å | ||
| 56 | L | 48.5 | Very low | 47 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 88% | 0.88 | 73% | 0.733 | S | S | * | * | trans | -64.5 | 113.7 | 156.6 | -82.8 | 97.5 | 0 | 0 | 0 | 106.4 | A58 | L56-A58 VanDerWaalsContact C-N 3.35Å; L56-A58 PolarHBondContact O-N 3.13Å | ||
| 57 | S | 41.2 | Very low | 49.5 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 70% | 0.699 | 70% | 0.698 | S | S | * | * | trans | -59.3 | 107.5 | 159.8 | 47.5 | 0 | 0 | 0 | 0 | 106.2 | H55 F59 | H55-S57 PolarHBondContact O-N 3.16Å; S57-F59 PolarHBondContact O-N 3.15Å | ||
| 58 | A | 41.4 | Very low | 52.2 | Low | 80 Ų | 80 | 130.3 Ų | 130.3 | 66% | 0.661 | 67% | 0.665 | S | S | * | * | trans | -46.3 | 116.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 106.1 | L56 V60 | L56-A58 VanDerWaalsContact C-N 3.35Å; L56-A58 PolarHBondContact O-N 3.13Å; A58-V60 PolarHBondContact O-N 3.32Å | ||
| 59 | F | 39.2 | Very low | 54.4 | Low | 204 Ų | 204 | 128.9 Ų | 128.9 | 90% | 0.895 | 66% | 0.658 | S | S | * | * | trans | -59.2 | 84.5 | 157 | -95.8 | -97.4 | 0 | 0 | 0 | 104.5 | S57 L61 | S57-F59 PolarHBondContact O-N 3.15Å; F59-L61 VanDerWaalsContact C-N 3.32Å; F59-L61 PolarHBondContact O-N 3.2Å | ||
| 60 | V | 36.6 | Very low | 56.8 | Low | 113 Ų | 113 | 122.8 Ų | 122.8 | 69% | 0.685 | 63% | 0.627 | S | S | * | * | trans | -50.2 | 114.2 | 155.6 | 174 | 0 | 0 | 0 | 0 | 102.3 | A58 Q62 | A58-V60 PolarHBondContact O-N 3.32Å; V60-Q62 PolarHBondContact O-N 2.86Å | ||
| 61 | L | 38.2 | Very low | 59.1 | Low | 170 Ų | 170 | 114.8 Ų | 114.8 | 89% | 0.89 | 59% | 0.585 | S | S | * | * | trans | -45.8 | 83.9 | 158.1 | -88.8 | 143.1 | 0 | 0 | 0 | 105.8 | F59 A63 | F59-L61 VanDerWaalsContact C-N 3.32Å; F59-L61 PolarHBondContact O-N 3.2Å; L61-A63 PolarHBondContact O-N 3.31Å | ||
| 62 | Q | 39.9 | Very low | 61.1 | Low | 174 Ų | 174 | 112.3 Ų | 112.3 | 81% | 0.813 | 58% | 0.583 | S | S | * | * | trans | -70.1 | 97.5 | 176.4 | -166.2 | 171.9 | -13.4 | 0 | 0 | 101.6 | V60 R64 | V60-Q62 PolarHBondContact O-N 2.86Å; Q62-R64 PolarHBondContact O-N 3.19Å | ||
| 63 | A | 48.3 | Very low | 63.4 | Low | 90 Ų | 90 | 102.1 Ų | 102.1 | 74% | 0.744 | 55% | 0.546 | S | S | * | . | trans | -33.7 | 102.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | L61 K65 | L61-A63 PolarHBondContact O-N 3.31Å; A63-K65 PolarHBondContact O-N 2.81Å | ||
| 64 | R | 58.1 | Low | 65.4 | Low | 158 Ų | 158 | 101.3 Ų | 101.3 | 60% | 0.596 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 122.1 | -179.1 | -79.1 | -160.6 | -175.4 | 133.5 | 4.9 | 105.2 | Q62 D66 W153 | Q62-R64 PolarHBondContact O-N 3.19Å; R64-D66 PolarHBondContact O-N 3.37Å; R64-W153 VanDerWaalsContact NH2-CZ2 3.3Å |
| 65 | K | 68.4 | Low | 67.2 | Low | 111 Ų | 111 | 96.9 Ų | 96.9 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 129.4 | 179 | -66.4 | 173.5 | 173.3 | 173.4 | 0 | 107.3 | A63 Y67 V70 E110 | A63-K65 PolarHBondContact O-N 2.81Å; K65-Y67 PolarHBondContact O-N 3.06Å; K65-V70 HydrophobicContact CB-CG2 3.6Å; K65-V70 HydrophobicContact CD-CG2 4.29Å; K65-E110 IonicContact NZ-OE1 3.3Å; K65-E110 PolarHBondContact NZ-OE1 3.43Å; K65-E110 IonicContact NZ-OE2 2.58Å; K65-E110 PolarHBondContact NZ-OE2 3.24Å |
| 66 | D | 87.5 | Confident | 68.7 | Low | 22 Ų | 22 | 96.1 Ų | 96.1 | 12% | 0.118 | 52% | 0.522 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 125 | 174.3 | -179.3 | -7.2 | 0 | 0 | 0 | 108.3 | R64 Y68 E69 V70 R75 Y127 | R64-D66 PolarHBondContact O-N 3.37Å; D66-Y68 PolarHBondContact O-N 3.22Å; D66-Y68 WeakPolarHBondContact OD1-CD2 3.47Å; D66-Y68 PolarHBondContact OD1-N 3.31Å; D66-Y68 VanDerWaalsContact OD1-N 3.1Å; D66-E69 HydrophobicContact CB-CB 4.06Å; D66-E69 HydrophobicContact CB-CG 3.79Å; D66-E69 WeakPolarHBondContact O-CA 3.33Å; D66-E69 WeakPolarHBondContact O-CB 3.22Å; D66-E69 PolarHBondContact O-N 3.22Å; D66-V70 WeakPolarHBondContact O-CG2 3.34Å; D66-V70 PolarHBondContact O-N 3.13Å; D66-R75 IonicContact OD1-NH2 2.75Å; D66-R75 IonicContact OD2-CZ 3.83Å; D66-R75 IonicContact OD2-NE 2.68Å; D66-R75 IonicContact OD2-NH2 2.7Å; D66-R75 PolarHBondContact OD2-NH2 2.98Å; D66-Y127 WeakPolarHBondContact CA-OH 2.95Å; D66-Y127 PolarHBondContact OD1-OH 3.38Å |
| 67 | Y | 90.4 | Very high | 70.6 | Confident | 22 Ų | 22 | 88.4 Ų | 88.4 | 9% | 0.086 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -63.8 | -27.5 | -175.8 | -66.5 | -45.7 | 0 | 0 | 0 | 111.7 | K65 V70 L71 E113 A114 I117 Y127 | K65-Y67 PolarHBondContact O-N 3.06Å; Y67-V70 PolarHBondContact O-N 2.93Å; Y67-L71 PolarHBondContact O-N 2.94Å; Y67-L71 VanDerWaalsContact O-N 3.12Å; Y67-E113 HydrophobicContact CE1-CG 4.05Å; Y67-E113 PolarHBondContact OH-OE1 2.8Å; Y67-A114 HydrophobicContact CD1-CB 3.68Å; Y67-A114 HydrophobicContact CG-CB 4.06Å; Y67-I117 HydrophobicContact CD2-CB 4.26Å; Y67-I117 HydrophobicContact CD2-CD1 4.1Å; Y67-I117 HydrophobicContact CD2-CG2 4.03Å; Y67-I117 HydrophobicContact CE1-CD1 4.26Å; Y67-I117 HydrophobicContact CE2-CB 4.19Å; Y67-I117 HydrophobicContact CE2-CD1 3.22Å; Y67-I117 HydrophobicContact CE2-CG1 4.28Å; Y67-I117 HydrophobicContact CE2-CG2 4.03Å; Y67-I117 WeakPolarHBondContact OH-CD1 3.43Å; Y67-Y127 HydrophobicContact CD2-CD1 4.13Å; Y67-Y127 AromaticContact CD2-CD2 3.55Å; Y67-Y127 HydrophobicContact CD2-CD2 3.55Å; Y67-Y127 AromaticContact CD2-CE1 3.8Å; Y67-Y127 HydrophobicContact CD2-CE1 3.8Å; Y67-Y127 AromaticContact CD2-CE2 3.18Å; Y67-Y127 HydrophobicContact CD2-CE2 3.18Å; Y67-Y127 AromaticContact CD2-CG 4Å; Y67-Y127 HydrophobicContact CD2-CG 4Å; Y67-Y127 AromaticContact CD2-CZ 3.31Å; Y67-Y127 AromaticContact CE2-CD2 3.53Å; Y67-Y127 HydrophobicContact CE2-CD2 3.53Å; Y67-Y127 AromaticContact CE2-CE2 3.29Å; Y67-Y127 HydrophobicContact CE2-CE2 3.29Å; Y67-Y127 HydrophobicContact CE2-CG 4.34Å; Y67-Y127 AromaticContact CE2-CZ 3.93Å; Y67-Y127 HydrophobicContact CG-CE1 4.43Å; Y67-Y127 HydrophobicContact CG-CE2 4.2Å; Y67-Y127 AromaticContact CG-CZ 3.97Å; Y67-Y127 PolarHBondContact N-OH 2.85Å |
| 68 | Y | 91.7 | Very high | 72.8 | Confident | 4 Ų | 4 | 86.2 Ų | 86.2 | 2% | 0.016 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 173 | -64.9 | -77.5 | 0 | 0 | 0 | 111.3 | D66 G72 I73 R75 L118 R124 Y127 D128 | D66-Y68 PolarHBondContact O-N 3.22Å; D66-Y68 WeakPolarHBondContact OD1-CD2 3.47Å; D66-Y68 PolarHBondContact OD1-N 3.31Å; D66-Y68 VanDerWaalsContact OD1-N 3.1Å; Y68-G72 PolarHBondContact O-N 2.82Å; Y68-I73 HydrophobicContact CD1-CD1 4.22Å; Y68-I73 HydrophobicContact CD1-CG1 4.16Å; Y68-I73 PolarHBondContact O-N 3.16Å; Y68-R75 HydrophobicContact CD1-CB 4.48Å; Y68-R75 HydrophobicContact CD1-CG 4.21Å; Y68-R75 HydrophobicContact CD2-CG 3.67Å; Y68-R75 HydrophobicContact CE1-CB 4.48Å; Y68-R75 HydrophobicContact CE2-CG 4.01Å; Y68-R75 HydrophobicContact CG-CG 3.77Å; Y68-L118 HydrophobicContact CD1-CD1 4.18Å; Y68-L118 HydrophobicContact CD1-CD2 4.5Å; Y68-L118 HydrophobicContact CE1-CD1 4.26Å; Y68-L118 HydrophobicContact CE1-CD2 3.87Å; Y68-L118 HydrophobicContact CE2-CD2 3.98Å; Y68-R124 PolarHBondContact OH-NE 2.82Å; Y68-Y127 HydrophobicContact CD2-CE1 4.06Å; Y68-Y127 HydrophobicContact CE2-CD1 4.11Å; Y68-Y127 AromaticContact CE2-CE1 3.84Å; Y68-Y127 HydrophobicContact CE2-CE1 3.84Å; Y68-D128 VanDerWaalsContact CE2-OD1 3.28Å; Y68-D128 WeakPolarHBondContact CE2-OD1 3.23Å; Y68-D128 PolarHBondContact OH-OD1 3.07Å; Y68-D128 PolarHBondContact OH-OD2 2.9Å |
| 69 | E | 90.6 | Very high | 75 | Confident | 146 Ų | 146 | 85.4 Ų | 85.4 | 68% | 0.682 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -69.7 | -38.8 | 173.8 | -66.6 | -177.3 | 167.7 | 0 | 0 | 112.3 | D66 L71 G72 | D66-E69 HydrophobicContact CB-CB 4.06Å; D66-E69 HydrophobicContact CB-CG 3.79Å; D66-E69 WeakPolarHBondContact O-CA 3.33Å; D66-E69 WeakPolarHBondContact O-CB 3.22Å; D66-E69 PolarHBondContact O-N 3.22Å; E69-L71 VanDerWaalsContact C-N 3.32Å; E69-L71 PolarHBondContact O-N 3.28Å; E69-G72 PolarHBondContact O-N 3.08Å; E69-G72 VanDerWaalsContact O-N 3.12Å |
| 70 | V | 89 | Confident | 77.2 | Confident | 29 Ų | 29 | 83.7 Ų | 83.7 | 18% | 0.176 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 177 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | K65 D66 Y67 L89 E110 V111 A114 | K65-V70 HydrophobicContact CB-CG2 3.6Å; K65-V70 HydrophobicContact CD-CG2 4.29Å; D66-V70 WeakPolarHBondContact O-CG2 3.34Å; D66-V70 PolarHBondContact O-N 3.13Å; Y67-V70 PolarHBondContact O-N 2.93Å; V70-L89 WeakPolarHBondContact O-CD1 3.37Å; V70-E110 HydrophobicContact CG1-CB 4.07Å; V70-V111 HydrophobicContact CG1-CG2 4.04Å; V70-A114 HydrophobicContact CB-CB 4.19Å; V70-A114 HydrophobicContact CG1-CB 4Å |
| 71 | L | 90.1 | Very high | 79.7 | Confident | 6 Ų | 6 | 81.9 Ų | 81.9 | 3% | 0.031 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -82.8 | -12.1 | 176 | -70 | -177.9 | 0 | 0 | 0 | 113.5 | Y67 E69 I73 I82 A85 L89 V111 A114 L118 | Y67-L71 PolarHBondContact O-N 2.94Å; Y67-L71 VanDerWaalsContact O-N 3.12Å; E69-L71 VanDerWaalsContact C-N 3.32Å; E69-L71 PolarHBondContact O-N 3.28Å; L71-I73 HydrophobicContact CB-CD1 3.95Å; L71-I73 HydrophobicContact CB-CG1 3.81Å; L71-I73 HydrophobicContact CD1-CD1 3.97Å; L71-I82 HydrophobicContact CD1-CG2 4.01Å; L71-A85 HydrophobicContact CB-CB 4.4Å; L71-L89 HydrophobicContact CD2-CD1 4.08Å; L71-V111 HydrophobicContact CD2-CG1 4.02Å; L71-A114 HydrophobicContact CD1-CB 4.23Å; L71-A114 HydrophobicContact CD2-CB 4.29Å; L71-A114 HydrophobicContact CG-CB 3.86Å; L71-L118 HydrophobicContact CD1-CD1 3.79Å |
| 72 | G | 89.7 | Confident | 82.2 | Confident | 67 Ų | 67 | 73.8 Ų | 73.8 | 69% | 0.691 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 34.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y68 E69 | Y68-G72 PolarHBondContact O-N 2.82Å; E69-G72 PolarHBondContact O-N 3.08Å; E69-G72 VanDerWaalsContact O-N 3.12Å |
| 73 | I | 91.6 | Very high | 84.5 | Confident | 23 Ų | 23 | 69.4 Ų | 69.4 | 12% | 0.118 | 36% | 0.364 | C | S | . | . | trans | -120.2 | 150.6 | -177.6 | 55 | 174.6 | 0 | 0 | 0 | 110.8 | Y68 L71 A77 I82 A85 L118 | Y68-I73 HydrophobicContact CD1-CD1 4.22Å; Y68-I73 HydrophobicContact CD1-CG1 4.16Å; Y68-I73 PolarHBondContact O-N 3.16Å; L71-I73 HydrophobicContact CB-CD1 3.95Å; L71-I73 HydrophobicContact CB-CG1 3.81Å; L71-I73 HydrophobicContact CD1-CD1 3.97Å; I73-A77 HydrophobicContact CB-CB 4.06Å; I73-A77 HydrophobicContact CD1-CB 4.12Å; I73-A77 HydrophobicContact CG1-CB 4.46Å; I73-I82 HydrophobicContact CD1-CB 4.21Å; I73-I82 HydrophobicContact CD1-CG1 3.44Å; I73-I82 VanDerWaalsContact CD1-CG1 3.44Å; I73-A85 HydrophobicContact CG2-CB 3.44Å; I73-A85 VanDerWaalsContact CG2-CB 3.44Å; I73-L118 HydrophobicContact CD1-CD1 4.41Å | ||
| 74 | P | 90.5 | Very high | 86.4 | Confident | 80 Ų | 80 | 71.3 Ų | 71.3 | 52% | 0.519 | 36% | 0.355 | S | S | . | . | trans | -72.3 | 155.3 | 173.4 | 32.9 | -36.7 | 0 | 0 | 0 | 110.9 | N76 A77 | P74-N76 VanDerWaalsContact CB-OD1 3.26Å; P74-N76 WeakPolarHBondContact CB-OD1 3.47Å; P74-N76 VanDerWaalsContact CG-OD1 3.26Å; P74-N76 WeakPolarHBondContact CG-OD1 3.48Å; P74-N76 PolarHBondContact O-N 2.83Å; P74-N76 VanDerWaalsContact O-N 3.13Å; P74-A77 HydrophobicContact CG-CB 4.37Å; P74-A77 WeakPolarHBondContact O-CB 3.23Å; P74-A77 PolarHBondContact O-N 3.38Å | ||
| 75 | R | 86.3 | Confident | 88 | Confident | 110 Ų | 110 | 64.3 Ų | 64.3 | 42% | 0.415 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -24.5 | -179.6 | -72.3 | 168.6 | 176.8 | -99.5 | 3.7 | 114.6 | D66 Y68 A77 R124 E131 | D66-R75 IonicContact OD1-NH2 2.75Å; D66-R75 IonicContact OD2-CZ 3.83Å; D66-R75 IonicContact OD2-NE 2.68Å; D66-R75 IonicContact OD2-NH2 2.7Å; D66-R75 PolarHBondContact OD2-NH2 2.98Å; Y68-R75 HydrophobicContact CD1-CB 4.48Å; Y68-R75 HydrophobicContact CD1-CG 4.21Å; Y68-R75 HydrophobicContact CD2-CG 3.67Å; Y68-R75 HydrophobicContact CE1-CB 4.48Å; Y68-R75 HydrophobicContact CE2-CG 4.01Å; Y68-R75 HydrophobicContact CG-CG 3.77Å; R75-A77 VanDerWaalsContact C-N 3.31Å; R75-R124 PolarHBondContact O-NH2 3.19Å; R75-E131 IonicContact CZ-OE1 3.37Å; R75-E131 IonicContact CZ-OE2 2.64Å; R75-E131 VanDerWaalsContact CZ-OE2 3.3Å; R75-E131 VanDerWaalsContact NH1-CD 3.29Å; R75-E131 IonicContact NH1-OE1 2.83Å; R75-E131 PolarHBondContact NH1-OE1 2.81Å; R75-E131 IonicContact NH1-OE2 2.64Å; R75-E131 PolarHBondContact NH1-OE2 3.2Å; R75-E131 VanDerWaalsContact NH2-CD 3.26Å; R75-E131 IonicContact NH2-OE1 3.87Å; R75-E131 PolarHBondContact NH2-OE1 3.4Å; R75-E131 IonicContact NH2-OE2 3.39Å; R75-E131 PolarHBondContact NH2-OE2 3.47Å; R75-E131 VanDerWaalsContact NH2-OE2 3.14Å |
| 76 | N | 86.5 | Confident | 89.1 | Confident | 141 Ų | 141 | 59 Ų | 59 | 75% | 0.754 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 8.5 | 176.3 | 68.5 | -12.1 | 0 | 0 | 0 | 113.8 | P74 | P74-N76 VanDerWaalsContact CB-OD1 3.26Å; P74-N76 WeakPolarHBondContact CB-OD1 3.47Å; P74-N76 VanDerWaalsContact CG-OD1 3.26Å; P74-N76 WeakPolarHBondContact CG-OD1 3.48Å; P74-N76 PolarHBondContact O-N 2.83Å; P74-N76 VanDerWaalsContact O-N 3.13Å |
| 77 | A | 86.9 | Confident | 89.1 | Confident | 6 Ų | 6 | 63.2 Ų | 63.2 | 5% | 0.05 | 32% | 0.323 | C | S | . | . | trans | -59.7 | 140.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I73 P74 R75 D81 I82 R124 | I73-A77 HydrophobicContact CB-CB 4.06Å; I73-A77 HydrophobicContact CD1-CB 4.12Å; I73-A77 HydrophobicContact CG1-CB 4.46Å; P74-A77 HydrophobicContact CG-CB 4.37Å; P74-A77 WeakPolarHBondContact O-CB 3.23Å; P74-A77 PolarHBondContact O-N 3.38Å; R75-A77 VanDerWaalsContact C-N 3.31Å; A77-D81 HydrophobicContact CB-CB 4.11Å; A77-I82 HydrophobicContact CB-CG1 4.4Å; A77-R124 PolarHBondContact O-NH1 2.72Å; A77-R124 PolarHBondContact O-NH2 2.77Å | ||
| 78 | S | 88.2 | Confident | 89 | Confident | 55 Ų | 55 | 67.9 Ų | 67.9 | 39% | 0.385 | 35% | 0.346 | S | S | . | . | trans | -72.5 | 159 | 173.8 | 75 | 0 | 0 | 0 | 0 | 110.8 | K80 D81 I82 | S78-K80 PolarHBondContact O-N 3.2Å; S78-K80 VanDerWaalsContact O-N 3.09Å; S78-K80 PolarHBondContact OG-N 2.81Å; S78-D81 WeakPolarHBondContact CB-OD2 3.4Å; S78-D81 PolarHBondContact N-OD2 3.19Å; S78-D81 PolarHBondContact O-N 2.72Å; S78-D81 VanDerWaalsContact OG-CG 3.25Å; S78-D81 PolarHBondContact OG-N 2.86Å; S78-D81 PolarHBondContact OG-OD2 2.95Å; S78-I82 PolarHBondContact O-N 3.3Å; S78-I82 VanDerWaalsContact O-N 3.08Å | ||
| 79 | Q | 87.1 | Confident | 89 | Confident | 63 Ų | 63 | 69.4 Ų | 69.4 | 29% | 0.294 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -54.8 | -30.2 | 174.5 | -72.9 | -64.7 | -9.1 | 0 | 0 | 112.8 | K83 L118 S119 E121 | Q79-K83 WeakPolarHBondContact O-CB 3.45Å; Q79-K83 PolarHBondContact O-N 3.17Å; Q79-K83 VanDerWaalsContact O-N 3.13Å; Q79-L118 PolarHBondContact NE2-O 3.43Å; Q79-L118 VanDerWaalsContact NE2-O 3.16Å; Q79-L118 PolarHBondContact OE1-O 3.07Å; Q79-S119 PolarHBondContact OE1-O 2.97Å; Q79-E121 PolarHBondContact NE2-OE2 3.21Å |
| 80 | K | 86.1 | Confident | 88.9 | Confident | 168 Ų | 168 | 62.5 Ų | 62.5 | 73% | 0.73 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -67.2 | -38.7 | 175.4 | -172.6 | -179.9 | 178.8 | -177.2 | 0 | 112.1 | S78 K84 | S78-K80 PolarHBondContact O-N 3.2Å; S78-K80 VanDerWaalsContact O-N 3.09Å; S78-K80 PolarHBondContact OG-N 2.81Å; K80-K84 WeakPolarHBondContact O-CB 3.48Å; K80-K84 PolarHBondContact O-N 2.96Å |
| 81 | D | 88.8 | Confident | 88.8 | Confident | 75 Ų | 75 | 67.6 Ų | 67.6 | 40% | 0.401 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -73.2 | -40.7 | -179.9 | -58.4 | -45 | 0 | 0 | 0 | 111.1 | A77 S78 K83 K84 A85 | A77-D81 HydrophobicContact CB-CB 4.11Å; S78-D81 WeakPolarHBondContact CB-OD2 3.4Å; S78-D81 PolarHBondContact N-OD2 3.19Å; S78-D81 PolarHBondContact O-N 2.72Å; S78-D81 VanDerWaalsContact OG-CG 3.25Å; S78-D81 PolarHBondContact OG-N 2.86Å; S78-D81 PolarHBondContact OG-OD2 2.95Å; D81-K83 VanDerWaalsContact C-N 3.32Å; D81-K83 PolarHBondContact O-N 2.87Å; D81-K84 PolarHBondContact O-N 3.44Å; D81-K84 VanDerWaalsContact O-N 3.17Å; D81-A85 WeakPolarHBondContact O-CB 3.46Å; D81-A85 PolarHBondContact O-N 3.47Å |
| 82 | I | 90.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -54.5 | -49.3 | 172.2 | -66.9 | 162.5 | 0 | 0 | 0 | 110.3 | L71 I73 A77 S78 K84 A85 Y86 Y115 L118 | L71-I82 HydrophobicContact CD1-CG2 4.01Å; I73-I82 HydrophobicContact CD1-CB 4.21Å; I73-I82 HydrophobicContact CD1-CG1 3.44Å; I73-I82 VanDerWaalsContact CD1-CG1 3.44Å; A77-I82 HydrophobicContact CB-CG1 4.4Å; S78-I82 PolarHBondContact O-N 3.3Å; S78-I82 VanDerWaalsContact O-N 3.08Å; I82-K84 PolarHBondContact O-N 3.47Å; I82-A85 PolarHBondContact O-N 3.1Å; I82-Y86 WeakPolarHBondContact O-CB 3.49Å; I82-Y86 PolarHBondContact O-N 2.9Å; I82-Y115 HydrophobicContact CG2-CD2 3.91Å; I82-Y115 HydrophobicContact CG2-CE2 4.15Å; I82-L118 HydrophobicContact CD1-CB 4.23Å; I82-L118 HydrophobicContact CG2-CB 4.03Å |
| 83 | K | 88.9 | Confident | 88.7 | Confident | 81 Ų | 81 | 72.5 Ų | 72.5 | 35% | 0.352 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.9 | -38 | 178.2 | -170.3 | 173.3 | -176.6 | 173.8 | 0 | 113.3 | Q79 D81 Y87 Y115 | Q79-K83 WeakPolarHBondContact O-CB 3.45Å; Q79-K83 PolarHBondContact O-N 3.17Å; Q79-K83 VanDerWaalsContact O-N 3.13Å; D81-K83 VanDerWaalsContact C-N 3.32Å; D81-K83 PolarHBondContact O-N 2.87Å; K83-Y87 PolarHBondContact O-N 3.09Å; K83-Y87 VanDerWaalsContact O-N 3.08Å; K83-Y115 HydrophobicContact CB-CE2 4.2Å; K83-Y115 HydrophobicContact CG-CE2 4.4Å |
| 84 | K | 88.6 | Confident | 88.3 | Confident | 130 Ų | 130 | 73.6 Ų | 73.6 | 57% | 0.565 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -68.6 | -43.2 | 177.9 | -171.7 | -179 | 177.4 | -172 | 0 | 111.7 | K80 D81 I82 Y87 Q88 | K80-K84 WeakPolarHBondContact O-CB 3.48Å; K80-K84 PolarHBondContact O-N 2.96Å; D81-K84 PolarHBondContact O-N 3.44Å; D81-K84 VanDerWaalsContact O-N 3.17Å; I82-K84 PolarHBondContact O-N 3.47Å; K84-Y87 PolarHBondContact O-N 3.01Å; K84-Q88 WeakPolarHBondContact O-CG 3.38Å; K84-Q88 PolarHBondContact O-N 2.84Å; K84-Q88 VanDerWaalsContact O-N 3.16Å |
| 85 | A | 91.2 | Very high | 87.9 | Confident | 12 Ų | 12 | 72.2 Ų | 72.2 | 10% | 0.099 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.5 | -46.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L71 I73 D81 I82 Y87 Q88 L89 | L71-A85 HydrophobicContact CB-CB 4.4Å; I73-A85 HydrophobicContact CG2-CB 3.44Å; I73-A85 VanDerWaalsContact CG2-CB 3.44Å; D81-A85 WeakPolarHBondContact O-CB 3.46Å; D81-A85 PolarHBondContact O-N 3.47Å; I82-A85 PolarHBondContact O-N 3.1Å; A85-Y87 VanDerWaalsContact C-N 3.34Å; A85-Y87 PolarHBondContact O-N 2.74Å; A85-Q88 PolarHBondContact O-N 3.24Å; A85-L89 WeakPolarHBondContact O-CG 3.46Å; A85-L89 PolarHBondContact O-N 3.12Å |
| 86 | Y | 91.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.2 | -46.3 | 173.9 | 175.4 | -120.4 | 0 | 0 | 0 | 112 | I82 Q88 L89 A90 V111 Y115 I169 F170 | I82-Y86 WeakPolarHBondContact O-CB 3.49Å; I82-Y86 PolarHBondContact O-N 2.9Å; Y86-Q88 VanDerWaalsContact C-N 3.34Å; Y86-Q88 PolarHBondContact O-N 2.74Å; Y86-L89 PolarHBondContact O-N 3.35Å; Y86-A90 HydrophobicContact CD2-CB 4.47Å; Y86-A90 HydrophobicContact CE2-CB 4.18Å; Y86-A90 WeakPolarHBondContact O-CB 3.2Å; Y86-A90 PolarHBondContact O-N 3.14Å; Y86-V111 HydrophobicContact CD2-CG1 3.53Å; Y86-V111 HydrophobicContact CE2-CG1 3.88Å; Y86-Y115 AromaticContact CD1-CD1 3.93Å; Y86-Y115 HydrophobicContact CD1-CD1 3.93Å; Y86-Y115 AromaticContact CD1-CD2 3.65Å; Y86-Y115 HydrophobicContact CD1-CD2 3.65Å; Y86-Y115 HydrophobicContact CD1-CE1 4.22Å; Y86-Y115 AromaticContact CD1-CE2 3.91Å; Y86-Y115 HydrophobicContact CD1-CE2 3.91Å; Y86-Y115 AromaticContact CD1-CG 3.62Å; Y86-Y115 HydrophobicContact CD1-CG 3.62Å; Y86-Y115 HydrophobicContact CD2-CD2 4.24Å; Y86-Y115 AromaticContact CD2-CG 3.88Å; Y86-Y115 HydrophobicContact CD2-CG 3.88Å; Y86-Y115 AromaticContact CE1-CD1 3.96Å; Y86-Y115 HydrophobicContact CE1-CD1 3.96Å; Y86-Y115 HydrophobicContact CE1-CD2 4.49Å; Y86-Y115 HydrophobicContact CE1-CE1 4.32Å; Y86-Y115 HydrophobicContact CE1-CG 4.04Å; Y86-Y115 HydrophobicContact CE2-CG 4.34Å; Y86-Y115 HydrophobicContact CG-CD1 4.29Å; Y86-Y115 AromaticContact CG-CD2 3.51Å; Y86-Y115 HydrophobicContact CG-CD2 3.51Å; Y86-Y115 HydrophobicContact CG-CE2 4.17Å; Y86-Y115 AromaticContact CG-CG 3.54Å; Y86-Y115 HydrophobicContact CG-CG 3.54Å; Y86-I169 HydrophobicContact CE1-CD1 3.73Å; Y86-F170 AromaticContact CD1-CE2 3.47Å; Y86-F170 HydrophobicContact CD1-CE2 3.47Å; Y86-F170 VanDerWaalsContact CD1-CE2 3.47Å; Y86-F170 AromaticContact CD1-CZ 3.62Å; Y86-F170 HydrophobicContact CD1-CZ 3.62Å; Y86-F170 HydrophobicContact CE1-CD2 4.19Å; Y86-F170 AromaticContact CE1-CE2 3.24Å; Y86-F170 HydrophobicContact CE1-CE2 3.24Å; Y86-F170 AromaticContact CE1-CZ 3.89Å; Y86-F170 HydrophobicContact CE1-CZ 3.89Å |
| 87 | Y | 87.5 | Confident | 87.6 | Confident | 109 Ų | 109 | 69.9 Ų | 69.9 | 43% | 0.427 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 178.4 | -178.5 | -102.4 | 0 | 0 | 0 | 113 | K83 K84 A85 K91 F170 | K83-Y87 PolarHBondContact O-N 3.09Å; K83-Y87 VanDerWaalsContact O-N 3.08Å; K84-Y87 PolarHBondContact O-N 3.01Å; A85-Y87 VanDerWaalsContact C-N 3.34Å; A85-Y87 PolarHBondContact O-N 2.74Å; Y87-K91 WeakPolarHBondContact O-CB 3.04Å; Y87-K91 PolarHBondContact O-N 3.41Å; Y87-K91 VanDerWaalsContact O-N 3.08Å; Y87-F170 AromaticContact CD2-CD1 3.8Å; Y87-F170 HydrophobicContact CD2-CD1 3.8Å; Y87-F170 AromaticContact CD2-CE1 3.45Å; Y87-F170 HydrophobicContact CD2-CE1 3.45Å; Y87-F170 VanDerWaalsContact CD2-CE1 3.45Å; Y87-F170 HydrophobicContact CD2-CE2 4.27Å; Y87-F170 HydrophobicContact CD2-CG 4.42Å; Y87-F170 AromaticContact CD2-CZ 3.71Å; Y87-F170 HydrophobicContact CD2-CZ 3.71Å; Y87-F170 HydrophobicContact CE2-CD1 4.27Å; Y87-F170 HydrophobicContact CE2-CE1 4.33Å; Y87-F170 HydrophobicContact CG-CE1 4.15Å; Y87-F170 HydrophobicContact CG-CZ 4.25Å |
| 88 | Q | 88.5 | Confident | 87.4 | Confident | 121 Ų | 121 | 72 Ų | 72 | 57% | 0.565 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.4 | -43.4 | -179.7 | -70.9 | 179.9 | -8 | 0 | 0 | 112 | K84 A85 Y86 K92 | K84-Q88 WeakPolarHBondContact O-CG 3.38Å; K84-Q88 PolarHBondContact O-N 2.84Å; K84-Q88 VanDerWaalsContact O-N 3.16Å; A85-Q88 PolarHBondContact O-N 3.24Å; Y86-Q88 VanDerWaalsContact C-N 3.34Å; Y86-Q88 PolarHBondContact O-N 2.74Å; Q88-K92 WeakPolarHBondContact O-CB 3.49Å; Q88-K92 PolarHBondContact O-N 3.27Å |
| 89 | L | 91.3 | Very high | 87 | Confident | 36 Ų | 36 | 76.8 Ų | 76.8 | 19% | 0.188 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -73.4 | -41 | 179.9 | -66.9 | 170.3 | 0 | 0 | 0 | 112 | V70 L71 A85 Y86 K91 K92 Y93 V111 | V70-L89 WeakPolarHBondContact O-CD1 3.37Å; L71-L89 HydrophobicContact CD2-CD1 4.08Å; A85-L89 WeakPolarHBondContact O-CG 3.46Å; A85-L89 PolarHBondContact O-N 3.12Å; Y86-L89 PolarHBondContact O-N 3.35Å; L89-K91 PolarHBondContact O-N 2.81Å; L89-K92 PolarHBondContact O-N 3.46Å; L89-K92 VanDerWaalsContact O-N 3.13Å; L89-Y93 HydrophobicContact CB-CD2 4.42Å; L89-Y93 HydrophobicContact CD2-CE2 3.97Å; L89-Y93 VanDerWaalsContact O-CD2 3.27Å; L89-Y93 WeakPolarHBondContact O-CD2 3.47Å; L89-Y93 PolarHBondContact O-N 2.79Å; L89-V111 HydrophobicContact CB-CG1 3.73Å; L89-V111 HydrophobicContact CB-CG2 3.97Å; L89-V111 HydrophobicContact CD1-CG1 4.42Å; L89-V111 HydrophobicContact CD1-CG2 4.03Å |
| 90 | A | 88.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y86 K92 Y93 H94 F108 F166 | Y86-A90 HydrophobicContact CD2-CB 4.47Å; Y86-A90 HydrophobicContact CE2-CB 4.18Å; Y86-A90 WeakPolarHBondContact O-CB 3.2Å; Y86-A90 PolarHBondContact O-N 3.14Å; A90-K92 VanDerWaalsContact C-N 3.3Å; A90-K92 PolarHBondContact O-N 2.62Å; A90-Y93 PolarHBondContact O-N 2.84Å; A90-H94 WeakPolarHBondContact O-CB 3.37Å; A90-H94 PolarHBondContact O-N 2.95Å; A90-F108 HydrophobicContact CB-CE2 3.89Å; A90-F166 HydrophobicContact CB-CD2 3.84Å; A90-F166 HydrophobicContact CB-CE2 3.81Å |
| 91 | K | 87.2 | Confident | 86.5 | Confident | 136 Ų | 136 | 77 Ų | 77 | 59% | 0.591 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.3 | -36.9 | 175 | -174.5 | 176.6 | -179.8 | 178.8 | 0 | 112.2 | Y87 L89 | Y87-K91 WeakPolarHBondContact O-CB 3.04Å; Y87-K91 PolarHBondContact O-N 3.41Å; Y87-K91 VanDerWaalsContact O-N 3.08Å; L89-K91 PolarHBondContact O-N 2.81Å |
| 92 | K | 87.9 | Confident | 86 | Confident | 132 Ų | 132 | 78.3 Ų | 78.3 | 57% | 0.574 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -71.9 | -35.5 | -179.9 | -172.4 | 177.1 | -178.9 | -179.5 | 0 | 112.5 | Q88 L89 A90 N98 | Q88-K92 WeakPolarHBondContact O-CB 3.49Å; Q88-K92 PolarHBondContact O-N 3.27Å; L89-K92 PolarHBondContact O-N 3.46Å; L89-K92 VanDerWaalsContact O-N 3.13Å; A90-K92 VanDerWaalsContact C-N 3.3Å; A90-K92 PolarHBondContact O-N 2.62Å; K92-N98 PolarHBondContact O-ND2 3.3Å |
| 93 | Y | 89 | Confident | 85.7 | Confident | 44 Ų | 44 | 84 Ų | 84 | 17% | 0.173 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -104.8 | 5.9 | -175.7 | -63.3 | -57.8 | 0 | 0 | 0 | 114.6 | L89 A90 A104 K107 | L89-Y93 HydrophobicContact CB-CD2 4.42Å; L89-Y93 HydrophobicContact CD2-CE2 3.97Å; L89-Y93 VanDerWaalsContact O-CD2 3.27Å; L89-Y93 WeakPolarHBondContact O-CD2 3.47Å; L89-Y93 PolarHBondContact O-N 2.79Å; A90-Y93 PolarHBondContact O-N 2.84Å; Y93-A104 HydrophobicContact CD1-CB 4.39Å; Y93-K107 HydrophobicContact CD1-CB 4Å; Y93-K107 HydrophobicContact CD1-CD 4.16Å; Y93-K107 HydrophobicContact CD2-CB 4.03Å; Y93-K107 HydrophobicContact CE1-CB 4.17Å; Y93-K107 HydrophobicContact CE1-CD 3.54Å; Y93-K107 HydrophobicContact CE1-CG 4.49Å; Y93-K107 HydrophobicContact CE2-CB 4.18Å; Y93-K107 HydrophobicContact CE2-CD 4.3Å; Y93-K107 HydrophobicContact CG-CB 3.95Å |
| 94 | H | 84.3 | Confident | 85.5 | Confident | 47 Ų | 47 | 80.2 Ų | 80.2 | 22% | 0.218 | 40% | 0.396 | C | S | . | . | trans | -57.1 | 134.3 | 179.6 | -166.3 | -91.4 | 0 | 0 | 0 | 111.7 | A90 D96 V97 N98 | A90-H94 WeakPolarHBondContact O-CB 3.37Å; A90-H94 PolarHBondContact O-N 2.95Å; H94-D96 VanDerWaalsContact ND1-CB 3.28Å; H94-D96 WeakPolarHBondContact ND1-CB 3.47Å; H94-D96 PolarHBondContact ND1-N 2.97Å; H94-D96 VanDerWaalsContact ND1-N 3.18Å; H94-D96 PolarHBondContact O-N 3.4Å; H94-V97 HydrophobicContact CB-CG2 4.24Å; H94-V97 PolarHBondContact O-N 3.44Å; H94-N98 PolarHBondContact O-N 3.48Å; H94-N98 PolarHBondContact O-ND2 3.11Å | ||
| 95 | P | 81 | Confident | 85.2 | Confident | 50 Ų | 50 | 76.8 Ų | 76.8 | 33% | 0.325 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.6 | -175.1 | 22.3 | -31.2 | 0 | 0 | 0 | 113.4 | V97 N98 K99 E163 | P95-V97 VanDerWaalsContact C-N 3.31Å; P95-V97 PolarHBondContact O-N 2.94Å; P95-N98 CarbonylContact O-C 3.51Å; P95-N98 PolarHBondContact O-N 3.37Å; P95-K99 WeakPolarHBondContact O-CG 3.47Å; P95-K99 PolarHBondContact O-N 3.14Å; P95-E163 WeakPolarHBondContact CD-OE1 3.28Å; P95-E163 WeakPolarHBondContact CG-OE1 3.37Å |
| 96 | D | 82.2 | Confident | 85 | Confident | 102 Ų | 102 | 83 Ų | 83 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -28.5 | 174.2 | -164.8 | 35.1 | 0 | 0 | 0 | 112.9 | H94 K99 | H94-D96 VanDerWaalsContact ND1-CB 3.28Å; H94-D96 WeakPolarHBondContact ND1-CB 3.47Å; H94-D96 PolarHBondContact ND1-N 2.97Å; H94-D96 VanDerWaalsContact ND1-N 3.18Å; H94-D96 PolarHBondContact O-N 3.4Å; D96-K99 VanDerWaalsContact O-CE 3.25Å; D96-K99 WeakPolarHBondContact O-CE 3.2Å; D96-K99 WeakPolarHBondContact OD1-CE 3.22Å; D96-K99 IonicContact OD1-NZ 2.71Å; D96-K99 PolarHBondContact OD1-NZ 2.79Å |
| 97 | V | 84.2 | Confident | 84.8 | Confident | 100 Ų | 100 | 86.7 Ų | 86.7 | 61% | 0.606 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -33.8 | 175.7 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | H94 P95 | H94-V97 HydrophobicContact CB-CG2 4.24Å; H94-V97 PolarHBondContact O-N 3.44Å; P95-V97 VanDerWaalsContact C-N 3.31Å; P95-V97 PolarHBondContact O-N 2.94Å |
| 98 | N | 83.1 | Confident | 84.9 | Confident | 50 Ų | 50 | 81.8 Ų | 81.8 | 27% | 0.267 | 41% | 0.414 | S | S | . | . | trans | -117.4 | 61.2 | -175.9 | -56.4 | -65.9 | 0 | 0 | 0 | 112.8 | K92 H94 P95 N100 D101 A104 | K92-N98 PolarHBondContact O-ND2 3.3Å; H94-N98 PolarHBondContact O-N 3.48Å; H94-N98 PolarHBondContact O-ND2 3.11Å; P95-N98 CarbonylContact O-C 3.51Å; P95-N98 PolarHBondContact O-N 3.37Å; N98-N100 PolarHBondContact O-N 3Å; N98-N100 VanDerWaalsContact O-N 3.12Å; N98-D101 PolarHBondContact O-N 3.29Å; N98-A104 HydrophobicContact CB-CB 3.58Å | ||
| 99 | K | 79.1 | Confident | 84.9 | Confident | 156 Ų | 156 | 81.7 Ų | 81.7 | 68% | 0.678 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.6 | -176.6 | -67.1 | 178.4 | 178.1 | 168.1 | 0 | 114.8 | P95 D96 | P95-K99 WeakPolarHBondContact O-CG 3.47Å; P95-K99 PolarHBondContact O-N 3.14Å; D96-K99 VanDerWaalsContact O-CE 3.25Å; D96-K99 WeakPolarHBondContact O-CE 3.2Å; D96-K99 WeakPolarHBondContact OD1-CE 3.22Å; D96-K99 IonicContact OD1-NZ 2.71Å; D96-K99 PolarHBondContact OD1-NZ 2.79Å |
| 100 | N | 80.2 | Confident | 84.8 | Confident | 159 Ų | 159 | 82.9 Ų | 82.9 | 85% | 0.85 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | -4.5 | -170.7 | -60.2 | -23.1 | 0 | 0 | 0 | 114.2 | N98 P102 | N98-N100 PolarHBondContact O-N 3Å; N98-N100 VanDerWaalsContact O-N 3.12Å; N100-P102 WeakPolarHBondContact O-CD 3.26Å |
| 101 | D | 82.3 | Confident | 84.9 | Confident | 78 Ų | 78 | 83 Ų | 83 | 42% | 0.417 | 42% | 0.419 | S | S | . | . | trans | -107.1 | 106.9 | -176.4 | -173.9 | 0.6 | 0 | 0 | 0 | 111.6 | N98 Q103 A104 | N98-D101 PolarHBondContact O-N 3.29Å; D101-Q103 PolarHBondContact O-N 3.03Å; D101-Q103 WeakPolarHBondContact OD1-CB 3.48Å; D101-Q103 PolarHBondContact OD1-N 3.09Å; D101-A104 HydrophobicContact CB-CB 4.15Å; D101-A104 WeakPolarHBondContact O-CB 3.42Å; D101-A104 PolarHBondContact O-N 2.68Å; D101-A104 VanDerWaalsContact O-N 3.15Å | ||
| 102 | P | 79.5 | Confident | 85 | Confident | 102 Ų | 102 | 76.8 Ų | 76.8 | 66% | 0.662 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -66.7 | -17.6 | 177.4 | 27.7 | -33.8 | 0 | 0 | 0 | 113.3 | N100 | N100-P102 WeakPolarHBondContact O-CD 3.26Å |
| 103 | Q | 83.2 | Confident | 85.1 | Confident | 119 Ų | 119 | 73.3 Ų | 73.3 | 56% | 0.556 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -78 | -25.5 | 174.1 | -63.6 | -154.8 | -1.6 | 0 | 0 | 112.9 | D101 A105 K106 K107 | D101-Q103 PolarHBondContact O-N 3.03Å; D101-Q103 WeakPolarHBondContact OD1-CB 3.48Å; D101-Q103 PolarHBondContact OD1-N 3.09Å; Q103-A105 VanDerWaalsContact C-N 3.33Å; Q103-A105 PolarHBondContact O-N 3.03Å; Q103-K106 PolarHBondContact O-N 3.05Å; Q103-K107 WeakPolarHBondContact O-CG 3.36Å; Q103-K107 PolarHBondContact O-N 3.14Å |
| 104 | A | 84.9 | Confident | 85.2 | Confident | 2 Ų | 2 | 71.2 Ų | 71.2 | 2% | 0.017 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y93 N98 D101 K106 K107 F108 | Y93-A104 HydrophobicContact CD1-CB 4.39Å; N98-A104 HydrophobicContact CB-CB 3.58Å; D101-A104 HydrophobicContact CB-CB 4.15Å; D101-A104 WeakPolarHBondContact O-CB 3.42Å; D101-A104 PolarHBondContact O-N 2.68Å; D101-A104 VanDerWaalsContact O-N 3.15Å; A104-K106 PolarHBondContact O-N 3.36Å; A104-K107 PolarHBondContact O-N 2.86Å; A104-F108 WeakPolarHBondContact O-CB 3.44Å; A104-F108 PolarHBondContact O-N 3.32Å |
| 105 | A | 83.5 | Confident | 85.5 | Confident | 58 Ų | 58 | 70 Ų | 70 | 48% | 0.479 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q103 F108 Q109 | Q103-A105 VanDerWaalsContact C-N 3.33Å; Q103-A105 PolarHBondContact O-N 3.03Å; A105-F108 PolarHBondContact O-N 3.44Å; A105-Q109 PolarHBondContact O-N 2.91Å |
| 106 | K | 86.4 | Confident | 85.9 | Confident | 143 Ų | 143 | 69.1 Ų | 69.1 | 62% | 0.622 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.8 | -43.4 | 176.6 | -69.2 | -174.2 | 178.2 | -177.1 | 0 | 112.1 | Q103 A104 Q109 E110 | Q103-K106 PolarHBondContact O-N 3.05Å; A104-K106 PolarHBondContact O-N 3.36Å; K106-Q109 WeakPolarHBondContact O-CB 3.37Å; K106-Q109 PolarHBondContact O-N 3.43Å; K106-E110 WeakPolarHBondContact O-CG 3.49Å; K106-E110 PolarHBondContact O-N 3.27Å |
| 107 | K | 87.6 | Confident | 86.3 | Confident | 76 Ų | 76 | 64.6 Ų | 64.6 | 33% | 0.33 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.6 | -37.8 | 177.1 | -71.1 | -179.7 | -177 | 172.7 | 0 | 111.9 | Y93 Q103 A104 Q109 E110 V111 | Y93-K107 HydrophobicContact CD1-CB 4Å; Y93-K107 HydrophobicContact CD1-CD 4.16Å; Y93-K107 HydrophobicContact CD2-CB 4.03Å; Y93-K107 HydrophobicContact CE1-CB 4.17Å; Y93-K107 HydrophobicContact CE1-CD 3.54Å; Y93-K107 HydrophobicContact CE1-CG 4.49Å; Y93-K107 HydrophobicContact CE2-CB 4.18Å; Y93-K107 HydrophobicContact CE2-CD 4.3Å; Y93-K107 HydrophobicContact CG-CB 3.95Å; Q103-K107 WeakPolarHBondContact O-CG 3.36Å; Q103-K107 PolarHBondContact O-N 3.14Å; A104-K107 PolarHBondContact O-N 2.86Å; K107-Q109 VanDerWaalsContact C-N 3.33Å; K107-E110 PolarHBondContact O-N 3.15Å; K107-V111 WeakPolarHBondContact O-CB 3.5Å; K107-V111 WeakPolarHBondContact O-CG2 3.47Å; K107-V111 PolarHBondContact O-N 3.07Å |
| 108 | F | 89.8 | Confident | 86.6 | Confident | 7 Ų | 7 | 59.8 Ų | 59.8 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 174.4 | -171.9 | -110.3 | 0 | 0 | 0 | 111.1 | A90 A104 A105 V111 S112 P162 F166 | A90-F108 HydrophobicContact CB-CE2 3.89Å; A104-F108 WeakPolarHBondContact O-CB 3.44Å; A104-F108 PolarHBondContact O-N 3.32Å; A105-F108 PolarHBondContact O-N 3.44Å; F108-V111 PolarHBondContact O-N 3.47Å; F108-S112 WeakPolarHBondContact O-CB 3.28Å; F108-S112 PolarHBondContact O-N 3.08Å; F108-S112 PolarHBondContact O-OG 3.39Å; F108-P162 HydrophobicContact CD1-CB 3.62Å; F108-P162 HydrophobicContact CE1-CB 3.4Å; F108-P162 VanDerWaalsContact CE1-CB 3.4Å; F108-P162 HydrophobicContact CZ-CB 4.45Å; F108-F166 HydrophobicContact CZ-CB 4.25Å |
| 109 | Q | 87.4 | Confident | 86.7 | Confident | 118 Ų | 118 | 59.4 Ų | 59.4 | 55% | 0.551 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -60.8 | -46.9 | 175.7 | -170.1 | 175.8 | 5.7 | 0 | 0 | 112.4 | A105 K106 K107 V111 S112 E113 P162 | A105-Q109 PolarHBondContact O-N 2.91Å; K106-Q109 WeakPolarHBondContact O-CB 3.37Å; K106-Q109 PolarHBondContact O-N 3.43Å; K107-Q109 VanDerWaalsContact C-N 3.33Å; Q109-V111 VanDerWaalsContact C-N 3.35Å; Q109-V111 PolarHBondContact O-N 3.06Å; Q109-S112 PolarHBondContact O-N 2.66Å; Q109-E113 WeakPolarHBondContact O-CB 3.49Å; Q109-E113 PolarHBondContact O-N 2.96Å; Q109-P162 HydrophobicContact CG-CG 4.43Å |
| 110 | E | 89.3 | Confident | 87.1 | Confident | 61 Ų | 61 | 56 Ų | 56 | 29% | 0.285 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 177 | -70.9 | 174.9 | -176.4 | 0 | 0 | 112.1 | K65 V70 K106 K107 E113 A114 | K65-E110 IonicContact NZ-OE1 3.3Å; K65-E110 PolarHBondContact NZ-OE1 3.43Å; K65-E110 IonicContact NZ-OE2 2.58Å; K65-E110 PolarHBondContact NZ-OE2 3.24Å; V70-E110 HydrophobicContact CG1-CB 4.07Å; K106-E110 WeakPolarHBondContact O-CG 3.49Å; K106-E110 PolarHBondContact O-N 3.27Å; K107-E110 PolarHBondContact O-N 3.15Å; E110-E113 PolarHBondContact O-N 3.46Å; E110-A114 WeakPolarHBondContact O-CB 3.39Å; E110-A114 PolarHBondContact O-N 3.08Å |
| 111 | V | 91.4 | Very high | 87.4 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.8 | -39 | 179.1 | 165.6 | 0 | 0 | 0 | 0 | 111.8 | V70 L71 Y86 L89 K107 F108 Q109 Y115 | V70-V111 HydrophobicContact CG1-CG2 4.04Å; L71-V111 HydrophobicContact CD2-CG1 4.02Å; Y86-V111 HydrophobicContact CD2-CG1 3.53Å; Y86-V111 HydrophobicContact CE2-CG1 3.88Å; L89-V111 HydrophobicContact CB-CG1 3.73Å; L89-V111 HydrophobicContact CB-CG2 3.97Å; L89-V111 HydrophobicContact CD1-CG1 4.42Å; L89-V111 HydrophobicContact CD1-CG2 4.03Å; K107-V111 WeakPolarHBondContact O-CB 3.5Å; K107-V111 WeakPolarHBondContact O-CG2 3.47Å; K107-V111 PolarHBondContact O-N 3.07Å; F108-V111 PolarHBondContact O-N 3.47Å; Q109-V111 VanDerWaalsContact C-N 3.35Å; Q109-V111 PolarHBondContact O-N 3.06Å; V111-Y115 PolarHBondContact O-N 3.31Å; V111-Y115 VanDerWaalsContact O-N 3.08Å |
| 112 | S | 89.7 | Confident | 87.5 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 4% | 0.035 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.9 | -40.8 | 175.1 | -69.5 | 0 | 0 | 0 | 0 | 112.4 | F108 Q109 Y115 E116 | F108-S112 WeakPolarHBondContact O-CB 3.28Å; F108-S112 PolarHBondContact O-N 3.08Å; F108-S112 PolarHBondContact O-OG 3.39Å; Q109-S112 PolarHBondContact O-N 2.66Å; S112-Y115 PolarHBondContact O-N 3.38Å; S112-E116 PolarHBondContact O-N 3.03Å |
| 113 | E | 89.3 | Confident | 87.9 | Confident | 59 Ų | 59 | 49 Ų | 49 | 28% | 0.276 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62 | -46.9 | 175 | -172.6 | -174.7 | 157 | 0 | 0 | 111.3 | Y67 Q109 E110 Y115 E116 I117 | Y67-E113 HydrophobicContact CE1-CG 4.05Å; Y67-E113 PolarHBondContact OH-OE1 2.8Å; Q109-E113 WeakPolarHBondContact O-CB 3.49Å; Q109-E113 PolarHBondContact O-N 2.96Å; E110-E113 PolarHBondContact O-N 3.46Å; E113-Y115 VanDerWaalsContact C-N 3.31Å; E113-Y115 PolarHBondContact O-N 3.28Å; E113-E116 PolarHBondContact O-N 2.85Å; E113-I117 HydrophobicContact CG-CD1 4.32Å; E113-I117 PolarHBondContact O-N 3.45Å |
| 114 | A | 91.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.7 | -42.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y67 V70 L71 E110 L118 | Y67-A114 HydrophobicContact CD1-CB 3.68Å; Y67-A114 HydrophobicContact CG-CB 4.06Å; V70-A114 HydrophobicContact CB-CB 4.19Å; V70-A114 HydrophobicContact CG1-CB 4Å; L71-A114 HydrophobicContact CD1-CB 4.23Å; L71-A114 HydrophobicContact CD2-CB 4.29Å; L71-A114 HydrophobicContact CG-CB 3.86Å; E110-A114 WeakPolarHBondContact O-CB 3.39Å; E110-A114 PolarHBondContact O-N 3.08Å; A114-L118 VanDerWaalsContact O-CB 3.31Å; A114-L118 WeakPolarHBondContact O-CB 3.48Å; A114-L118 VanDerWaalsContact O-CG 3.31Å; A114-L118 WeakPolarHBondContact O-CG 3.45Å; A114-L118 PolarHBondContact O-N 2.87Å |
| 115 | Y | 91.2 | Very high | 88.2 | Confident | 22 Ų | 22 | 49.9 Ų | 49.9 | 9% | 0.086 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68 | -38.9 | 177.3 | -176.6 | -93.4 | 0 | 0 | 0 | 112.5 | I82 K83 Y86 V111 S112 E113 I117 L118 S119 I169 | I82-Y115 HydrophobicContact CG2-CD2 3.91Å; I82-Y115 HydrophobicContact CG2-CE2 4.15Å; K83-Y115 HydrophobicContact CB-CE2 4.2Å; K83-Y115 HydrophobicContact CG-CE2 4.4Å; Y86-Y115 AromaticContact CD1-CD1 3.93Å; Y86-Y115 HydrophobicContact CD1-CD1 3.93Å; Y86-Y115 AromaticContact CD1-CD2 3.65Å; Y86-Y115 HydrophobicContact CD1-CD2 3.65Å; Y86-Y115 HydrophobicContact CD1-CE1 4.22Å; Y86-Y115 AromaticContact CD1-CE2 3.91Å; Y86-Y115 HydrophobicContact CD1-CE2 3.91Å; Y86-Y115 AromaticContact CD1-CG 3.62Å; Y86-Y115 HydrophobicContact CD1-CG 3.62Å; Y86-Y115 HydrophobicContact CD2-CD2 4.24Å; Y86-Y115 AromaticContact CD2-CG 3.88Å; Y86-Y115 HydrophobicContact CD2-CG 3.88Å; Y86-Y115 AromaticContact CE1-CD1 3.96Å; Y86-Y115 HydrophobicContact CE1-CD1 3.96Å; Y86-Y115 HydrophobicContact CE1-CD2 4.49Å; Y86-Y115 HydrophobicContact CE1-CE1 4.32Å; Y86-Y115 HydrophobicContact CE1-CG 4.04Å; Y86-Y115 HydrophobicContact CE2-CG 4.34Å; Y86-Y115 HydrophobicContact CG-CD1 4.29Å; Y86-Y115 AromaticContact CG-CD2 3.51Å; Y86-Y115 HydrophobicContact CG-CD2 3.51Å; Y86-Y115 HydrophobicContact CG-CE2 4.17Å; Y86-Y115 AromaticContact CG-CG 3.54Å; Y86-Y115 HydrophobicContact CG-CG 3.54Å; V111-Y115 PolarHBondContact O-N 3.31Å; V111-Y115 VanDerWaalsContact O-N 3.08Å; S112-Y115 PolarHBondContact O-N 3.38Å; E113-Y115 VanDerWaalsContact C-N 3.31Å; E113-Y115 PolarHBondContact O-N 3.28Å; Y115-I117 PolarHBondContact O-N 3.05Å; Y115-L118 PolarHBondContact O-N 2.92Å; Y115-S119 WeakPolarHBondContact O-CB 3.37Å; Y115-S119 PolarHBondContact O-N 2.71Å; Y115-S119 PolarHBondContact O-OG 3.36Å; Y115-I169 HydrophobicContact CD1-CD1 3.59Å; Y115-I169 HydrophobicContact CE1-CD1 3.15Å; Y115-I169 HydrophobicContact CE1-CG1 4.04Å |
| 116 | E | 89.4 | Confident | 88.2 | Confident | 30 Ų | 30 | 52.2 Ų | 52.2 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.2 | -35.4 | 179.4 | -160 | -161.7 | 139.9 | 0 | 0 | 112.3 | S112 E113 K123 A158 I160 L165 | S112-E116 PolarHBondContact O-N 3.03Å; E113-E116 PolarHBondContact O-N 2.85Å; E116-K123 IonicContact OE1-NZ 3.66Å; E116-K123 PolarHBondContact OE1-NZ 3.24Å; E116-A158 WeakPolarHBondContact OE2-CB 3.29Å; E116-I160 HydrophobicContact CG-CD1 4.46Å; E116-L165 HydrophobicContact CB-CD2 4.47Å |
| 117 | I | 89.9 | Confident | 88.2 | Confident | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -84.6 | -42.4 | -178.7 | -66.4 | 165.9 | 0 | 0 | 0 | 111.2 | Y67 E113 Y115 K123 R124 Y127 F156 | Y67-I117 HydrophobicContact CD2-CB 4.26Å; Y67-I117 HydrophobicContact CD2-CD1 4.1Å; Y67-I117 HydrophobicContact CD2-CG2 4.03Å; Y67-I117 HydrophobicContact CE1-CD1 4.26Å; Y67-I117 HydrophobicContact CE2-CB 4.19Å; Y67-I117 HydrophobicContact CE2-CD1 3.22Å; Y67-I117 HydrophobicContact CE2-CG1 4.28Å; Y67-I117 HydrophobicContact CE2-CG2 4.03Å; Y67-I117 WeakPolarHBondContact OH-CD1 3.43Å; E113-I117 HydrophobicContact CG-CD1 4.32Å; E113-I117 PolarHBondContact O-N 3.45Å; Y115-I117 PolarHBondContact O-N 3.05Å; I117-K123 HydrophobicContact CG2-CB 4.49Å; I117-K123 CarbonylContact O-C 3.59Å; I117-K123 VanDerWaalsContact O-CB 3.28Å; I117-K123 WeakPolarHBondContact O-CB 3.42Å; I117-R124 PolarHBondContact O-N 3.23Å; I117-R124 VanDerWaalsContact O-N 3.15Å; I117-Y127 HydrophobicContact CG2-CD2 4.4Å; I117-Y127 HydrophobicContact CG2-CG 4.11Å; I117-F156 HydrophobicContact CD1-CD1 3.86Å; I117-F156 HydrophobicContact CD1-CE1 4.24Å; I117-F156 HydrophobicContact CG1-CD1 4.16Å; I117-F156 HydrophobicContact CG1-CE1 4.23Å; I117-F156 HydrophobicContact CG2-CE1 4.4Å |
| 118 | L | 90.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -81 | -22.1 | -176.1 | -65.3 | 176.5 | 0 | 0 | 0 | 113.9 | Y68 L71 I73 Q79 I82 A114 Y115 R124 Y127 | Y68-L118 HydrophobicContact CD1-CD1 4.18Å; Y68-L118 HydrophobicContact CD1-CD2 4.5Å; Y68-L118 HydrophobicContact CE1-CD1 4.26Å; Y68-L118 HydrophobicContact CE1-CD2 3.87Å; Y68-L118 HydrophobicContact CE2-CD2 3.98Å; L71-L118 HydrophobicContact CD1-CD1 3.79Å; I73-L118 HydrophobicContact CD1-CD1 4.41Å; Q79-L118 PolarHBondContact NE2-O 3.43Å; Q79-L118 VanDerWaalsContact NE2-O 3.16Å; Q79-L118 PolarHBondContact OE1-O 3.07Å; I82-L118 HydrophobicContact CD1-CB 4.23Å; I82-L118 HydrophobicContact CG2-CB 4.03Å; A114-L118 VanDerWaalsContact O-CB 3.31Å; A114-L118 WeakPolarHBondContact O-CB 3.48Å; A114-L118 VanDerWaalsContact O-CG 3.31Å; A114-L118 WeakPolarHBondContact O-CG 3.45Å; A114-L118 PolarHBondContact O-N 2.87Å; Y115-L118 PolarHBondContact O-N 2.92Å; L118-R124 HydrophobicContact CD2-CG 4.05Å; L118-Y127 HydrophobicContact CD2-CD1 4.25Å |
| 119 | S | 86.3 | Confident | 87.8 | Confident | 42 Ų | 42 | 51.6 Ų | 51.6 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -76.1 | -26.4 | -178.5 | 62.5 | 0 | 0 | 0 | 0 | 114.4 | Q79 Y115 | Q79-S119 PolarHBondContact OE1-O 2.97Å; Y115-S119 WeakPolarHBondContact O-CB 3.37Å; Y115-S119 PolarHBondContact O-N 2.71Å; Y115-S119 PolarHBondContact O-OG 3.36Å |
| 120 | D | 86.2 | Confident | 87.3 | Confident | 83 Ų | 83 | 53.3 Ų | 53.3 | 44% | 0.444 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -95.7 | 120.1 | 173.9 | -176.4 | -79.5 | 0 | 0 | 0 | 109.3 | G122 K123 R124 | D120-G122 PolarHBondContact O-N 2.95Å; D120-G122 VanDerWaalsContact OD1-CA 3.31Å; D120-G122 WeakPolarHBondContact OD1-CA 3.48Å; D120-G122 PolarHBondContact OD1-N 3.37Å; D120-K123 HydrophobicContact CB-CB 4.09Å; D120-K123 HydrophobicContact CB-CD 4.19Å; D120-K123 HydrophobicContact CB-CG 4.08Å; D120-K123 PolarHBondContact O-N 2.98Å; D120-K123 VanDerWaalsContact O-N 3.12Å; D120-K123 PolarHBondContact OD1-N 3.44Å; D120-R124 WeakPolarHBondContact O-CB 3.16Å; D120-R124 PolarHBondContact O-N 2.93Å |
| 121 | E | 85.9 | Confident | 86.3 | Confident | 94 Ų | 94 | 53.3 Ų | 53.3 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.3 | -32.5 | -176.2 | -165.5 | 62.3 | -150.4 | 0 | 0 | 112.2 | Q79 Q125 | Q79-E121 PolarHBondContact NE2-OE2 3.21Å; E121-Q125 VanDerWaalsContact O-CG 3.24Å; E121-Q125 WeakPolarHBondContact O-CG 3.1Å; E121-Q125 PolarHBondContact O-N 3.36Å; E121-Q125 VanDerWaalsContact O-N 3.09Å |
| 122 | G | 85.7 | Confident | 84.9 | Confident | 31 Ų | 31 | 58.3 Ų | 58.3 | 32% | 0.32 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70.8 | -42.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D120 Q126 | D120-G122 PolarHBondContact O-N 2.95Å; D120-G122 VanDerWaalsContact OD1-CA 3.31Å; D120-G122 WeakPolarHBondContact OD1-CA 3.48Å; D120-G122 PolarHBondContact OD1-N 3.37Å; G122-Q126 WeakPolarHBondContact O-CG 3.34Å; G122-Q126 PolarHBondContact O-N 3.17Å |
| 123 | K | 87.1 | Confident | 83.4 | Confident | 67 Ų | 67 | 62 Ų | 62 | 29% | 0.291 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68 | -38.7 | 174.8 | -68.9 | -174.5 | -179.6 | 179.7 | 0 | 112.1 | E116 I117 D120 Q126 Y127 | E116-K123 IonicContact OE1-NZ 3.66Å; E116-K123 PolarHBondContact OE1-NZ 3.24Å; I117-K123 HydrophobicContact CG2-CB 4.49Å; I117-K123 CarbonylContact O-C 3.59Å; I117-K123 VanDerWaalsContact O-CB 3.28Å; I117-K123 WeakPolarHBondContact O-CB 3.42Å; D120-K123 HydrophobicContact CB-CB 4.09Å; D120-K123 HydrophobicContact CB-CD 4.19Å; D120-K123 HydrophobicContact CB-CG 4.08Å; D120-K123 PolarHBondContact O-N 2.98Å; D120-K123 VanDerWaalsContact O-N 3.12Å; D120-K123 PolarHBondContact OD1-N 3.44Å; K123-Q126 PolarHBondContact O-N 2.91Å; K123-Y127 PolarHBondContact O-N 2.83Å |
| 124 | R | 89.6 | Confident | 81.6 | Confident | 24 Ų | 24 | 62 Ų | 62 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.6 | -47.9 | 175.6 | -178.8 | -178.8 | 179.5 | 174.3 | 3.6 | 111.3 | Y68 R75 A77 I117 L118 D120 Q126 Y127 D128 | Y68-R124 PolarHBondContact OH-NE 2.82Å; R75-R124 PolarHBondContact O-NH2 3.19Å; A77-R124 PolarHBondContact O-NH1 2.72Å; A77-R124 PolarHBondContact O-NH2 2.77Å; I117-R124 PolarHBondContact O-N 3.23Å; I117-R124 VanDerWaalsContact O-N 3.15Å; L118-R124 HydrophobicContact CD2-CG 4.05Å; D120-R124 WeakPolarHBondContact O-CB 3.16Å; D120-R124 PolarHBondContact O-N 2.93Å; R124-Q126 VanDerWaalsContact C-N 3.31Å; R124-Q126 PolarHBondContact O-N 2.96Å; R124-Y127 WeakPolarHBondContact O-CB 3.24Å; R124-Y127 PolarHBondContact O-N 3.41Å; R124-Y127 VanDerWaalsContact O-N 3.14Å; R124-D128 IonicContact NE-OD2 3.27Å; R124-D128 VanDerWaalsContact O-CG 3.29Å; R124-D128 PolarHBondContact O-N 2.81Å |
| 125 | Q | 85.9 | Confident | 79.6 | Confident | 116 Ų | 116 | 66 Ų | 66 | 54% | 0.542 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62 | -38.5 | 177.4 | -73.5 | 173.2 | 15.7 | 0 | 0 | 112.5 | E121 Y127 H129 | E121-Q125 VanDerWaalsContact O-CG 3.24Å; E121-Q125 WeakPolarHBondContact O-CG 3.1Å; E121-Q125 PolarHBondContact O-N 3.36Å; E121-Q125 VanDerWaalsContact O-N 3.09Å; Q125-Y127 VanDerWaalsContact C-N 3.35Å; Q125-H129 VanDerWaalsContact O-CB 3.24Å; Q125-H129 WeakPolarHBondContact O-CB 3.43Å; Q125-H129 PolarHBondContact O-N 2.91Å |
| 126 | Q | 83 | Confident | 77 | Confident | 108 Ų | 108 | 68.1 Ų | 68.1 | 51% | 0.505 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 174.8 | -70.8 | 172 | 33.7 | 0 | 0 | 111.9 | G122 K123 R124 W130 F156 | G122-Q126 WeakPolarHBondContact O-CG 3.34Å; G122-Q126 PolarHBondContact O-N 3.17Å; K123-Q126 PolarHBondContact O-N 2.91Å; R124-Q126 VanDerWaalsContact C-N 3.31Å; R124-Q126 PolarHBondContact O-N 2.96Å; Q126-W130 VanDerWaalsContact O-CB 3.26Å; Q126-W130 WeakPolarHBondContact O-CB 3.25Å; Q126-W130 PolarHBondContact O-N 2.78Å; Q126-F156 HydrophobicContact CB-CZ 4.45Å |
| 127 | Y | 85.9 | Confident | 74.3 | Confident | 34 Ų | 34 | 70.5 Ų | 70.5 | 13% | 0.133 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65 | -49.3 | 175.4 | 178 | -105.5 | 0 | 0 | 0 | 112 | D66 Y67 Y68 I117 L118 K123 R124 Q125 H129 W130 E131 | D66-Y127 WeakPolarHBondContact CA-OH 2.95Å; D66-Y127 PolarHBondContact OD1-OH 3.38Å; Y67-Y127 HydrophobicContact CD2-CD1 4.13Å; Y67-Y127 AromaticContact CD2-CD2 3.55Å; Y67-Y127 HydrophobicContact CD2-CD2 3.55Å; Y67-Y127 AromaticContact CD2-CE1 3.8Å; Y67-Y127 HydrophobicContact CD2-CE1 3.8Å; Y67-Y127 AromaticContact CD2-CE2 3.18Å; Y67-Y127 HydrophobicContact CD2-CE2 3.18Å; Y67-Y127 AromaticContact CD2-CG 4Å; Y67-Y127 HydrophobicContact CD2-CG 4Å; Y67-Y127 AromaticContact CD2-CZ 3.31Å; Y67-Y127 AromaticContact CE2-CD2 3.53Å; Y67-Y127 HydrophobicContact CE2-CD2 3.53Å; Y67-Y127 AromaticContact CE2-CE2 3.29Å; Y67-Y127 HydrophobicContact CE2-CE2 3.29Å; Y67-Y127 HydrophobicContact CE2-CG 4.34Å; Y67-Y127 AromaticContact CE2-CZ 3.93Å; Y67-Y127 HydrophobicContact CG-CE1 4.43Å; Y67-Y127 HydrophobicContact CG-CE2 4.2Å; Y67-Y127 AromaticContact CG-CZ 3.97Å; Y67-Y127 PolarHBondContact N-OH 2.85Å; Y68-Y127 HydrophobicContact CD2-CE1 4.06Å; Y68-Y127 HydrophobicContact CE2-CD1 4.11Å; Y68-Y127 AromaticContact CE2-CE1 3.84Å; Y68-Y127 HydrophobicContact CE2-CE1 3.84Å; I117-Y127 HydrophobicContact CG2-CD2 4.4Å; I117-Y127 HydrophobicContact CG2-CG 4.11Å; L118-Y127 HydrophobicContact CD2-CD1 4.25Å; K123-Y127 PolarHBondContact O-N 2.83Å; R124-Y127 WeakPolarHBondContact O-CB 3.24Å; R124-Y127 PolarHBondContact O-N 3.41Å; R124-Y127 VanDerWaalsContact O-N 3.14Å; Q125-Y127 VanDerWaalsContact C-N 3.35Å; Y127-H129 VanDerWaalsContact C-N 3.31Å; Y127-H129 PolarHBondContact O-N 2.8Å; Y127-W130 PolarHBondContact O-N 3.41Å; Y127-E131 PolarHBondContact O-N 2.77Å |
| 128 | D | 87 | Confident | 71.8 | Confident | 49 Ų | 49 | 75 Ų | 75 | 26% | 0.262 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 179.7 | -66.1 | -21.5 | 0 | 0 | 0 | 111.5 | Y68 R124 T132 | Y68-D128 VanDerWaalsContact CE2-OD1 3.28Å; Y68-D128 WeakPolarHBondContact CE2-OD1 3.23Å; Y68-D128 PolarHBondContact OH-OD1 3.07Å; Y68-D128 PolarHBondContact OH-OD2 2.9Å; R124-D128 IonicContact NE-OD2 3.27Å; R124-D128 VanDerWaalsContact O-CG 3.29Å; R124-D128 PolarHBondContact O-N 2.81Å; D128-T132 PolarHBondContact O-N 3.48Å; D128-T132 PolarHBondContact O-OG1 2.8Å |
| 129 | H | 81.7 | Confident | 69.1 | Low | 129 Ų | 129 | 80.3 Ų | 80.3 | 60% | 0.597 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -71.7 | -39.4 | 176.1 | -170.4 | 62.2 | 0 | 0 | 0 | 112.8 | Q125 Y127 E131 T132 T133 | Q125-H129 VanDerWaalsContact O-CB 3.24Å; Q125-H129 WeakPolarHBondContact O-CB 3.43Å; Q125-H129 PolarHBondContact O-N 2.91Å; Y127-H129 VanDerWaalsContact C-N 3.31Å; Y127-H129 PolarHBondContact O-N 2.8Å; H129-E131 VanDerWaalsContact C-N 3.31Å; H129-E131 PolarHBondContact O-N 2.94Å; H129-T132 PolarHBondContact O-N 3.45Å; H129-T133 WeakPolarHBondContact O-CB 3.32Å; H129-T133 PolarHBondContact O-N 2.88Å; H129-T133 PolarHBondContact O-OG1 3.21Å |
| 130 | W | 77 | Confident | 66.7 | Low | 154 Ų | 154 | 83 Ų | 83 | 58% | 0.583 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.4 | -38.9 | 176.5 | -179.7 | -91.6 | 0 | 0 | 0 | 111.5 | Q126 Y127 T133 G134 | Q126-W130 VanDerWaalsContact O-CB 3.26Å; Q126-W130 WeakPolarHBondContact O-CB 3.25Å; Q126-W130 PolarHBondContact O-N 2.78Å; Y127-W130 PolarHBondContact O-N 3.41Å; W130-T133 PolarHBondContact O-N 2.71Å; W130-G134 VanDerWaalsContact O-CA 3.31Å; W130-G134 WeakPolarHBondContact O-CA 3.28Å; W130-G134 PolarHBondContact O-N 2.72Å |
| 131 | E | 68.6 | Low | 64.3 | Low | 61 Ų | 61 | 82.9 Ų | 82.9 | 29% | 0.285 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.4 | -42.3 | 177.2 | -165 | -173.8 | 165.6 | 0 | 0 | 112.1 | R75 Y127 H129 T133 G134 A135 | R75-E131 IonicContact CZ-OE1 3.37Å; R75-E131 IonicContact CZ-OE2 2.64Å; R75-E131 VanDerWaalsContact CZ-OE2 3.3Å; R75-E131 VanDerWaalsContact NH1-CD 3.29Å; R75-E131 IonicContact NH1-OE1 2.83Å; R75-E131 PolarHBondContact NH1-OE1 2.81Å; R75-E131 IonicContact NH1-OE2 2.64Å; R75-E131 PolarHBondContact NH1-OE2 3.2Å; R75-E131 VanDerWaalsContact NH2-CD 3.26Å; R75-E131 IonicContact NH2-OE1 3.87Å; R75-E131 PolarHBondContact NH2-OE1 3.4Å; R75-E131 IonicContact NH2-OE2 3.39Å; R75-E131 PolarHBondContact NH2-OE2 3.47Å; R75-E131 VanDerWaalsContact NH2-OE2 3.14Å; Y127-E131 PolarHBondContact O-N 2.77Å; H129-E131 VanDerWaalsContact C-N 3.31Å; H129-E131 PolarHBondContact O-N 2.94Å; E131-T133 VanDerWaalsContact C-N 3.25Å; E131-T133 PolarHBondContact O-N 2.95Å; E131-G134 PolarHBondContact O-N 2.87Å; E131-A135 VanDerWaalsContact O-CB 3.26Å; E131-A135 WeakPolarHBondContact O-CB 3.44Å; E131-A135 PolarHBondContact O-N 2.71Å |
| 132 | T | 61.1 | Low | 61.9 | Low | 109 Ų | 109 | 82.9 Ų | 82.9 | 67% | 0.669 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.9 | -35.6 | 177.3 | -53.8 | 0 | 0 | 0 | 0 | 111.8 | D128 H129 | D128-T132 PolarHBondContact O-N 3.48Å; D128-T132 PolarHBondContact O-OG1 2.8Å; H129-T132 PolarHBondContact O-N 3.45Å |
| 133 | T | 58.5 | Low | 59.5 | Low | 84 Ų | 84 | 87.1 Ų | 87.1 | 52% | 0.515 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -90 | -26.8 | -178.6 | -44.6 | 0 | 0 | 0 | 0 | 112.6 | H129 W130 E131 | H129-T133 WeakPolarHBondContact O-CB 3.32Å; H129-T133 PolarHBondContact O-N 2.88Å; H129-T133 PolarHBondContact O-OG1 3.21Å; W130-T133 PolarHBondContact O-N 2.71Å; E131-T133 VanDerWaalsContact C-N 3.25Å; E131-T133 PolarHBondContact O-N 2.95Å |
| 134 | G | 52.7 | Low | 57 | Low | 57 Ų | 57 | 87.9 Ų | 87.9 | 59% | 0.588 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -89.7 | -16.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | W130 E131 | W130-G134 VanDerWaalsContact O-CA 3.31Å; W130-G134 WeakPolarHBondContact O-CA 3.28Å; W130-G134 PolarHBondContact O-N 2.72Å; E131-G134 PolarHBondContact O-N 2.87Å |
| 135 | A | 48.3 | Very low | 54.2 | Low | 85 Ų | 85 | 90.4 Ų | 90.4 | 70% | 0.702 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -86.3 | -13 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E131 | E131-A135 VanDerWaalsContact O-CB 3.26Å; E131-A135 WeakPolarHBondContact O-CB 3.44Å; E131-A135 PolarHBondContact O-N 2.71Å |
| 136 | A | 36.9 | Very low | 51.6 | Low | 66 Ų | 66 | 89.3 Ų | 89.3 | 55% | 0.545 | 65% | 0.653 | S | S | . | * | trans | -100.2 | 85.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S138 | A136-S138 PolarHBondContact O-N 2.95Š| ||
| 137 | G | 31.8 | Very low | 49.1 | Very low | 81 Ų | 81 | 87.3 Ų | 87.3 | 84% | 0.835 | 66% | 0.661 | S | S | * | * | trans | -67 | 95.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 138 | S | 37.6 | Very low | 46.7 | Very low | 102 Ų | 102 | 94.4 Ų | 94.4 | 71% | 0.713 | 70% | 0.695 | S | S | * | * | trans | -152.4 | 103 | 166.1 | -70.4 | 0 | 0 | 0 | 0 | 107.6 | A136 | A136-S138 PolarHBondContact O-N 2.95Š| ||
| 139 | A | 33.8 | Very low | 44.2 | Very low | 110 Ų | 110 | 98.7 Ų | 98.7 | 91% | 0.909 | 73% | 0.726 | S | S | * | * | 53.6 | 60.2 | 76 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 140 | A | 37.1 | Very low | 42.1 | Very low | 99 Ų | 99 | 96 Ų | 96 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | 179.8 | 110.8 | 151 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 141 | G | 35 | Very low | 40.2 | Very low | 81 Ų | 81 | 92.8 Ų | 92.8 | 84% | 0.835 | 74% | 0.739 | S | S | * | * | 89.3 | 82.1 | 60 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 142 | A | 35.2 | Very low | 38.6 | Very low | 93 Ų | 93 | 98.3 Ų | 98.3 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | 174.1 | 103.7 | 149.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 143 | S | 35.8 | Very low | 37.6 | Very low | 120 Ų | 120 | 98.2 Ų | 98.2 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | trans | 35.9 | 120.1 | 136.9 | 63.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 144 | G | 33.9 | Very low | 36.6 | Very low | 83 Ų | 83 | 101.8 Ų | 101.8 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | 125 | 115 | 132.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 145 | G | 31.3 | Very low | 35.9 | Very low | 78 Ų | 78 | 102.2 Ų | 102.2 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | 110.9 | 96.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G147 | G145-G147 PolarHBondContact O-N 2.87Š| ||
| 146 | G | 30.5 | Very low | 35.6 | Very low | 92 Ų | 92 | 101 Ų | 101 | 95% | 0.948 | 75% | 0.746 | S | S | * | * | trans | -61.3 | 129.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 147 | G | 31.5 | Very low | 35.9 | Very low | 66 Ų | 66 | 106.9 Ų | 106.9 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | trans | -173.3 | 115.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | G145 | G145-G147 PolarHBondContact O-N 2.87Š| ||
| 148 | H | 36.2 | Very low | 36.6 | Very low | 183 Ų | 183 | 105.3 Ų | 105.3 | 85% | 0.847 | 73% | 0.734 | S | S | * | * | trans | -45.4 | 119.4 | -170.6 | -62.4 | -80.6 | 0 | 0 | 0 | 114.7 | G150 | H148-G150 PolarHBondContact O-N 3.16Å; H148-G150 VanDerWaalsContact O-N 3.1Å | ||
| 149 | P | 34.3 | Very low | 37.4 | Very low | 139 Ų | 139 | 106 Ų | 106 | 90% | 0.903 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 82.5 | 171.9 | 32.9 | -29 | 0 | 0 | 0 | 108.8 | ||
| 150 | G | 37.1 | Very low | 38.7 | Very low | 73 Ų | 73 | 103.2 Ų | 103.2 | 75% | 0.753 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -165.4 | -4.5 | -179 | 0 | 0 | 0 | 0 | 0 | 117.2 | H148 | H148-G150 PolarHBondContact O-N 3.16Å; H148-G150 VanDerWaalsContact O-N 3.1Å |
| 151 | A | 37.4 | Very low | 40 | Very low | 86 Ų | 86 | 103.3 Ų | 103.3 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -115.7 | -7.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 152 | Q | 35.1 | Very low | 41.5 | Very low | 178 Ų | 178 | 100.7 Ų | 100.7 | 83% | 0.832 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -96.4 | -9.9 | -177 | -165.2 | 163 | -23.3 | 0 | 0 | 114.3 | Q154 | Q152-Q154 VanDerWaalsContact C-N 3.3Å; Q152-Q154 PolarHBondContact O-N 2.78Å |
| 153 | W | 39.4 | Very low | 43.1 | Very low | 107 Ų | 107 | 99.3 Ų | 99.3 | 41% | 0.405 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87 | 12.2 | -175.1 | -136.3 | 82.3 | 0 | 0 | 0 | 114.6 | R64 F156 | R64-W153 VanDerWaalsContact NH2-CZ2 3.3Å; W153-F156 HydrophobicContact CH2-CB 4.27Å; W153-F156 HydrophobicContact CZ2-CB 4.32Å |
| 154 | Q | 38.5 | Very low | 44.6 | Very low | 159 Ų | 159 | 99.4 Ų | 99.4 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -8.6 | 172.8 | -78.8 | -171.7 | -12.3 | 0 | 0 | 113.5 | Q152 | Q152-Q154 VanDerWaalsContact C-N 3.3Å; Q152-Q154 PolarHBondContact O-N 2.78Å |
| 155 | G | 38.3 | Very low | 46.3 | Very low | 65 Ų | 65 | 96.3 Ų | 96.3 | 67% | 0.67 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -10.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 156 | F | 41.1 | Very low | 48.1 | Very low | 59 Ų | 59 | 94.7 Ų | 94.7 | 26% | 0.259 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.1 | 15.4 | -179.6 | -80.2 | -85.9 | 0 | 0 | 0 | 113.6 | I117 Q126 W153 A158 | I117-F156 HydrophobicContact CD1-CD1 3.86Å; I117-F156 HydrophobicContact CD1-CE1 4.24Å; I117-F156 HydrophobicContact CG1-CD1 4.16Å; I117-F156 HydrophobicContact CG1-CE1 4.23Å; I117-F156 HydrophobicContact CG2-CE1 4.4Å; Q126-F156 HydrophobicContact CB-CZ 4.45Å; W153-F156 HydrophobicContact CH2-CB 4.27Å; W153-F156 HydrophobicContact CZ2-CB 4.32Å; F156-A158 PolarHBondContact O-N 2.82Å |
| 157 | R | 43 | Very low | 50 | Low | 191 Ų | 191 | 99 Ų | 99 | 72% | 0.721 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -85.6 | 107.9 | 169.3 | -60.6 | -160 | -178.1 | -154.9 | 1.9 | 107.5 | S159 | R157-S159 PolarHBondContact O-N 2.92Š|
| 158 | A | 47.6 | Very low | 51.8 | Low | 48 Ų | 48 | 104.7 Ų | 104.7 | 40% | 0.397 | 55% | 0.551 | S | S | . | * | trans | -52.5 | 92 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | E116 F156 | E116-A158 WeakPolarHBondContact OE2-CB 3.29Å; F156-A158 PolarHBondContact O-N 2.82Å | ||
| 159 | S | 54.3 | Low | 53.2 | Low | 115 Ų | 115 | 97.2 Ų | 97.2 | 80% | 0.804 | 52% | 0.517 | S | S | * | . | trans | -86.7 | 4.7 | 176.8 | 102.8 | 0 | 0 | 0 | 0 | 111.1 | R157 | R157-S159 PolarHBondContact O-N 2.92Š| ||
| 160 | I | 59.2 | Low | 54.5 | Low | 52 Ų | 52 | 91.8 Ų | 91.8 | 27% | 0.267 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -95 | 123.1 | -178.3 | -54.1 | 174.6 | 0 | 0 | 0 | 107 | E116 P162 E164 L165 | E116-I160 HydrophobicContact CG-CD1 4.46Å; I160-P162 WeakPolarHBondContact O-CD 3.28Å; I160-E164 HydrophobicContact CG2-CB 4.46Å; I160-L165 HydrophobicContact CG2-CB 3.87Å; I160-L165 HydrophobicContact CG2-CD1 4.45Å |
| 161 | D | 65.7 | Low | 55.5 | Low | 101 Ų | 101 | 91 Ų | 91 | 54% | 0.54 | 47% | 0.471 | S | S | . | . | trans | -58 | 123.8 | 174 | -152.6 | -12.5 | 0 | 0 | 0 | 108.1 | E163 E164 L165 | D161-E163 PolarHBondContact O-N 3.3Å; D161-E164 HydrophobicContact CB-CB 4.12Å; D161-E164 WeakPolarHBondContact O-CA 3.45Å; D161-E164 WeakPolarHBondContact O-CB 3.42Å; D161-E164 PolarHBondContact O-N 2.78Å; D161-L165 PolarHBondContact O-N 3.07Å | ||
| 162 | P | 66.5 | Low | 56.3 | Low | 27 Ų | 27 | 92.2 Ų | 92.2 | 18% | 0.175 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -51.6 | -34.3 | -176.7 | -31.8 | 37.9 | 0 | 0 | 0 | 113.5 | F108 Q109 I160 L165 F166 | F108-P162 HydrophobicContact CD1-CB 3.62Å; F108-P162 HydrophobicContact CE1-CB 3.4Å; F108-P162 VanDerWaalsContact CE1-CB 3.4Å; F108-P162 HydrophobicContact CZ-CB 4.45Å; Q109-P162 HydrophobicContact CG-CG 4.43Å; I160-P162 WeakPolarHBondContact O-CD 3.28Å; P162-L165 PolarHBondContact O-N 3.48Å; P162-F166 WeakPolarHBondContact O-CB 3.48Å; P162-F166 PolarHBondContact O-N 2.82Å |
| 163 | E | 68.6 | Low | 56.6 | Low | 64 Ų | 64 | 87.1 Ų | 87.1 | 30% | 0.299 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 172.2 | -112.2 | 77.5 | -136 | 0 | 0 | 112.9 | P95 D161 R167 | P95-E163 WeakPolarHBondContact CD-OE1 3.28Å; P95-E163 WeakPolarHBondContact CG-OE1 3.37Å; D161-E163 PolarHBondContact O-N 3.3Å; E163-R167 WeakPolarHBondContact O-CB 3.28Å; E163-R167 VanDerWaalsContact O-CG 3.23Å; E163-R167 WeakPolarHBondContact O-CG 3.46Å; E163-R167 PolarHBondContact O-N 3.05Å |
| 164 | E | 68 | Low | 56.7 | Low | 122 Ų | 122 | 89.9 Ų | 89.9 | 57% | 0.57 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -71.8 | -39.9 | 179.1 | -169.5 | -179.1 | 175.6 | 0 | 0 | 111 | I160 D161 F166 R167 R168 | I160-E164 HydrophobicContact CG2-CB 4.46Å; D161-E164 HydrophobicContact CB-CB 4.12Å; D161-E164 WeakPolarHBondContact O-CA 3.45Å; D161-E164 WeakPolarHBondContact O-CB 3.42Å; D161-E164 PolarHBondContact O-N 2.78Å; E164-F166 PolarHBondContact O-N 2.89Å; E164-R167 PolarHBondContact O-N 3.4Å; E164-R168 VanDerWaalsContact O-CB 3.26Å; E164-R168 WeakPolarHBondContact O-CB 3.23Å; E164-R168 PolarHBondContact O-N 2.78Å |
| 165 | L | 69 | Low | 56.7 | Low | 17 Ų | 17 | 91 Ų | 91 | 9% | 0.089 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -59.6 | -48 | 173.8 | -174 | 65.5 | 0 | 0 | 0 | 110.5 | E116 I160 D161 P162 R167 R168 I169 | E116-L165 HydrophobicContact CB-CD2 4.47Å; I160-L165 HydrophobicContact CG2-CB 3.87Å; I160-L165 HydrophobicContact CG2-CD1 4.45Å; D161-L165 PolarHBondContact O-N 3.07Å; P162-L165 PolarHBondContact O-N 3.48Å; L165-R167 PolarHBondContact O-N 3.29Å; L165-R168 PolarHBondContact O-N 3.25Å; L165-I169 HydrophobicContact CD1-CD1 3.7Å; L165-I169 HydrophobicContact CD1-CG1 4.39Å; L165-I169 HydrophobicContact CD2-CD1 4.44Å; L165-I169 HydrophobicContact CG-CD1 3.63Å; L165-I169 VanDerWaalsContact O-CD1 3.27Å; L165-I169 WeakPolarHBondContact O-CD1 3.49Å; L165-I169 VanDerWaalsContact O-CG1 3.25Å; L165-I169 WeakPolarHBondContact O-CG1 3.21Å; L165-I169 PolarHBondContact O-N 3.07Å |
| 166 | F | 69 | Low | 56.6 | Low | 45 Ų | 45 | 91 Ų | 91 | 20% | 0.197 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 176.4 | -175.8 | -93.7 | 0 | 0 | 0 | 111.9 | A90 F108 P162 E164 I169 F170 | A90-F166 HydrophobicContact CB-CD2 3.84Å; A90-F166 HydrophobicContact CB-CE2 3.81Å; F108-F166 HydrophobicContact CZ-CB 4.25Å; P162-F166 WeakPolarHBondContact O-CB 3.48Å; P162-F166 PolarHBondContact O-N 2.82Å; E164-F166 PolarHBondContact O-N 2.89Å; F166-I169 PolarHBondContact O-N 3.35Å; F166-F170 AromaticContact CD2-CD2 3.41Å; F166-F170 HydrophobicContact CD2-CD2 3.41Å; F166-F170 VanDerWaalsContact CD2-CD2 3.41Å; F166-F170 AromaticContact CD2-CE2 3.8Å; F166-F170 HydrophobicContact CD2-CE2 3.8Å; F166-F170 HydrophobicContact CD2-CG 4.48Å; F166-F170 HydrophobicContact CE1-CB 4.46Å; F166-F170 HydrophobicContact CE2-CB 4.5Å; F166-F170 AromaticContact CE2-CD2 3.4Å; F166-F170 HydrophobicContact CE2-CD2 3.4Å; F166-F170 AromaticContact CE2-CE2 3.79Å; F166-F170 HydrophobicContact CE2-CE2 3.79Å; F166-F170 HydrophobicContact CE2-CG 4.18Å; F166-F170 HydrophobicContact CG-CD2 4.05Å; F166-F170 HydrophobicContact CZ-CB 4.31Å; F166-F170 HydrophobicContact CZ-CD2 4.04Å; F166-F170 HydrophobicContact CZ-CG 4.43Å; F166-F170 WeakPolarHBondContact O-CB 3.36Å; F166-F170 PolarHBondContact O-N 2.74Å |
| 167 | R | 70 | Confident | 56.5 | Low | 182 Ų | 182 | 97.8 Ų | 97.8 | 69% | 0.687 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.6 | -40.1 | 177.2 | -75.3 | 173.5 | -178.8 | -167.7 | 2.1 | 112.7 | E163 E164 L165 G171 | E163-R167 WeakPolarHBondContact O-CB 3.28Å; E163-R167 VanDerWaalsContact O-CG 3.23Å; E163-R167 WeakPolarHBondContact O-CG 3.46Å; E163-R167 PolarHBondContact O-N 3.05Å; E164-R167 PolarHBondContact O-N 3.4Å; L165-R167 PolarHBondContact O-N 3.29Å; R167-G171 WeakPolarHBondContact O-CA 3.26Å; R167-G171 PolarHBondContact O-N 2.84Å |
| 168 | R | 69.2 | Low | 56.2 | Low | 185 Ų | 185 | 94.5 Ų | 94.5 | 70% | 0.698 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.6 | -38.1 | 178.7 | -175.8 | 175.9 | 178.1 | 176.9 | -1 | 112.3 | E164 L165 | E164-R168 VanDerWaalsContact O-CB 3.26Å; E164-R168 WeakPolarHBondContact O-CB 3.23Å; E164-R168 PolarHBondContact O-N 2.78Å; L165-R168 PolarHBondContact O-N 3.25Å |
| 169 | I | 65 | Low | 55.4 | Low | 27 Ų | 27 | 95.7 Ų | 95.7 | 14% | 0.138 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -81.4 | -42.5 | -178.3 | -63.3 | 157.2 | 0 | 0 | 0 | 111.5 | Y86 Y115 L165 F166 L173 | Y86-I169 HydrophobicContact CE1-CD1 3.73Å; Y115-I169 HydrophobicContact CD1-CD1 3.59Å; Y115-I169 HydrophobicContact CE1-CD1 3.15Å; Y115-I169 HydrophobicContact CE1-CG1 4.04Å; L165-I169 HydrophobicContact CD1-CD1 3.7Å; L165-I169 HydrophobicContact CD1-CG1 4.39Å; L165-I169 HydrophobicContact CD2-CD1 4.44Å; L165-I169 HydrophobicContact CG-CD1 3.63Å; L165-I169 VanDerWaalsContact O-CD1 3.27Å; L165-I169 WeakPolarHBondContact O-CD1 3.49Å; L165-I169 VanDerWaalsContact O-CG1 3.25Å; L165-I169 WeakPolarHBondContact O-CG1 3.21Å; L165-I169 PolarHBondContact O-N 3.07Å; F166-I169 PolarHBondContact O-N 3.35Å; I169-L173 WeakPolarHBondContact O-CD1 3.48Å |
| 170 | F | 63.2 | Low | 54.4 | Low | 24 Ų | 24 | 96.2 Ų | 96.2 | 11% | 0.105 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -109 | -13.7 | -169.8 | -62.3 | -70.2 | 0 | 0 | 0 | 114.7 | Y86 Y87 F166 D172 L173 | Y86-F170 AromaticContact CD1-CE2 3.47Å; Y86-F170 HydrophobicContact CD1-CE2 3.47Å; Y86-F170 VanDerWaalsContact CD1-CE2 3.47Å; Y86-F170 AromaticContact CD1-CZ 3.62Å; Y86-F170 HydrophobicContact CD1-CZ 3.62Å; Y86-F170 HydrophobicContact CE1-CD2 4.19Å; Y86-F170 AromaticContact CE1-CE2 3.24Å; Y86-F170 HydrophobicContact CE1-CE2 3.24Å; Y86-F170 AromaticContact CE1-CZ 3.89Å; Y86-F170 HydrophobicContact CE1-CZ 3.89Å; Y87-F170 AromaticContact CD2-CD1 3.8Å; Y87-F170 HydrophobicContact CD2-CD1 3.8Å; Y87-F170 AromaticContact CD2-CE1 3.45Å; Y87-F170 HydrophobicContact CD2-CE1 3.45Å; Y87-F170 VanDerWaalsContact CD2-CE1 3.45Å; Y87-F170 HydrophobicContact CD2-CE2 4.27Å; Y87-F170 HydrophobicContact CD2-CG 4.42Å; Y87-F170 AromaticContact CD2-CZ 3.71Å; Y87-F170 HydrophobicContact CD2-CZ 3.71Å; Y87-F170 HydrophobicContact CE2-CD1 4.27Å; Y87-F170 HydrophobicContact CE2-CE1 4.33Å; Y87-F170 HydrophobicContact CG-CE1 4.15Å; Y87-F170 HydrophobicContact CG-CZ 4.25Å; F166-F170 AromaticContact CD2-CD2 3.41Å; F166-F170 HydrophobicContact CD2-CD2 3.41Å; F166-F170 VanDerWaalsContact CD2-CD2 3.41Å; F166-F170 AromaticContact CD2-CE2 3.8Å; F166-F170 HydrophobicContact CD2-CE2 3.8Å; F166-F170 HydrophobicContact CD2-CG 4.48Å; F166-F170 HydrophobicContact CE1-CB 4.46Å; F166-F170 HydrophobicContact CE2-CB 4.5Å; F166-F170 AromaticContact CE2-CD2 3.4Å; F166-F170 HydrophobicContact CE2-CD2 3.4Å; F166-F170 AromaticContact CE2-CE2 3.79Å; F166-F170 HydrophobicContact CE2-CE2 3.79Å; F166-F170 HydrophobicContact CE2-CG 4.18Å; F166-F170 HydrophobicContact CG-CD2 4.05Å; F166-F170 HydrophobicContact CZ-CB 4.31Å; F166-F170 HydrophobicContact CZ-CD2 4.04Å; F166-F170 HydrophobicContact CZ-CG 4.43Å; F166-F170 WeakPolarHBondContact O-CB 3.36Å; F166-F170 PolarHBondContact O-N 2.74Å; F170-D172 PolarHBondContact O-N 2.75Å; F170-L173 HydrophobicContact CD1-CB 4.33Å; F170-L173 HydrophobicContact CD1-CD1 3.66Å; F170-L173 HydrophobicContact CE1-CD1 4.02Å; F170-L173 CarbonylContact O-C 3.47Å; F170-L173 PolarHBondContact O-N 3.42Å |
| 171 | G | 56.5 | Low | 52.9 | Low | 56 Ų | 56 | 96.9 Ų | 96.9 | 58% | 0.577 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -29.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R167 | R167-G171 WeakPolarHBondContact O-CA 3.26Å; R167-G171 PolarHBondContact O-N 2.84Å |
| 172 | D | 54.5 | Low | 51.1 | Low | 113 Ų | 113 | 101.6 Ų | 101.6 | 60% | 0.604 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -5.4 | 173.1 | -77.4 | -16.6 | 0 | 0 | 0 | 113.9 | F170 | F170-D172 PolarHBondContact O-N 2.75Š|
| 173 | L | 42.6 | Very low | 49.3 | Very low | 70 Ų | 70 | 105.6 Ų | 105.6 | 37% | 0.366 | 59% | 0.594 | S | S | . | * | trans | -118.7 | 61.2 | -176.8 | -66.5 | 162.9 | 0 | 0 | 0 | 111.2 | I169 F170 M175 | I169-L173 WeakPolarHBondContact O-CD1 3.48Å; F170-L173 HydrophobicContact CD1-CB 4.33Å; F170-L173 HydrophobicContact CD1-CD1 3.66Å; F170-L173 HydrophobicContact CE1-CD1 4.02Å; F170-L173 CarbonylContact O-C 3.47Å; F170-L173 PolarHBondContact O-N 3.42Å; L173-M175 PolarHBondContact O-N 3.48Å | ||
| 174 | N | 41.6 | Very low | 47.3 | Very low | 166 Ų | 166 | 105.5 Ų | 105.5 | 89% | 0.888 | 61% | 0.61 | S | S | * | * | trans | -73.7 | 66.1 | 165.1 | -158.7 | 33.3 | 0 | 0 | 0 | 110.2 | ||||
| 175 | M | 38.7 | Very low | 45.4 | Very low | 182 Ų | 182 | 110.6 Ų | 110.6 | 90% | 0.897 | 62% | 0.624 | S | S | * | * | trans | -99.4 | 89.2 | -176.1 | -144.7 | -119.6 | 155.7 | 0 | 0 | 109.2 | L173 | L173-M175 PolarHBondContact O-N 3.48Š| ||
| 176 | G | 36 | Very low | 43.5 | Very low | 64 Ų | 64 | 117.1 Ų | 117.1 | 66% | 0.66 | 66% | 0.659 | S | S | * | * | trans | -157.8 | 52.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 177 | K | 37.5 | Very low | 41.5 | Very low | 203 Ų | 203 | 123 Ų | 123 | 88% | 0.883 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 161.1 | 121 | 142.2 | -95.3 | 166.3 | 168.7 | 174.5 | 0 | 111.6 | ||
| 178 | S | 36.3 | Very low | 39.9 | Very low | 121 Ų | 121 | 119.5 Ų | 119.5 | 85% | 0.846 | 68% | 0.68 | S | S | * | * | trans | 49.7 | 118.8 | 155 | 72.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 179 | G | 32.5 | Very low | 38.4 | Very low | 73 Ų | 73 | 114.5 Ų | 114.5 | 75% | 0.753 | 67% | 0.667 | S | S | * | * | 103.1 | 103.6 | 126.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 180 | S | 32.9 | Very low | 37.1 | Very low | 126 Ų | 126 | 122.1 Ų | 122.1 | 88% | 0.881 | 70% | 0.7 | S | S | * | * | trans | 62.6 | 102.7 | 138.6 | -164.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 181 | G | 27.6 | Very low | 36.1 | Very low | 66 Ų | 66 | 124 Ų | 124 | 68% | 0.68 | 72% | 0.72 | S | S | * | * | trans | 75.1 | 153.1 | 136.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 182 | F | 28.4 | Very low | 35.3 | Very low | 200 Ų | 200 | 128.3 Ų | 128.3 | 88% | 0.877 | 73% | 0.725 | S | S | * | * | trans | 79.2 | 101.5 | 161.9 | -77.6 | -93.4 | 0 | 0 | 0 | 119.8 | ||||
| 183 | S | 28.2 | Very low | 34.7 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 78% | 0.783 | 72% | 0.717 | S | S | * | * | 39.3 | 107.6 | 121.9 | -166.2 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 184 | G | 26.8 | Very low | 34.5 | Very low | 62 Ų | 62 | 130.8 Ų | 130.8 | 64% | 0.639 | 74% | 0.738 | S | S | * | * | trans | 92.4 | 85.6 | 136.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 185 | W | 28.5 | Very low | 34.7 | Very low | 228 Ų | 228 | 129.1 Ų | 129.1 | 86% | 0.864 | 72% | 0.723 | S | S | * | * | trans | -139.4 | 118.5 | 162.2 | -65.9 | 89.4 | 0 | 0 | 0 | 112.1 | F187 | W185-F187 PolarHBondContact O-N 3.28Š| ||
| 186 | N | 28.1 | Very low | 34.3 | Very low | 154 Ų | 154 | 124.5 Ų | 124.5 | 82% | 0.824 | 72% | 0.722 | S | S | * | * | trans | -57.8 | 118.8 | 171.9 | -81.1 | -81.9 | 0 | 0 | 0 | 111 | N188 | N186-N188 PolarHBondContact O-N 2.59Š| ||
| 187 | F | 28.1 | Very low | 34.3 | Very low | 168 Ų | 168 | 127.2 Ų | 127.2 | 74% | 0.737 | 72% | 0.716 | S | S | * | * | trans | -87.2 | 99.7 | 162.4 | -72.3 | -91.3 | 0 | 0 | 0 | 108.2 | W185 | W185-F187 PolarHBondContact O-N 3.28Š| ||
| 188 | N | 35.6 | Very low | 34.1 | Very low | 109 Ų | 109 | 123.4 Ų | 123.4 | 58% | 0.583 | 71% | 0.705 | S | S | * | * | trans | -145.9 | 121.5 | 166.6 | -97.7 | -25 | 0 | 0 | 0 | 110.6 | N186 K310 | N186-N188 PolarHBondContact O-N 2.59Å; N188-K310 PolarHBondContact O-NZ 3.35Å | ||
| 189 | D | 36.9 | Very low | 34.1 | Very low | 80 Ų | 80 | 122.1 Ų | 122.1 | 43% | 0.428 | 70% | 0.696 | S | S | . | * | trans | 84.8 | 94.1 | 168.4 | -61.1 | -41.5 | 0 | 0 | 0 | 118.7 | V218 K310 | D189-V218 WeakPolarHBondContact OD2-CB 3.45Å; D189-V218 WeakPolarHBondContact OD2-CG2 3.5Å; D189-K310 IonicContact OD2-NZ 3.41Å; D189-K310 PolarHBondContact OD2-NZ 2.66Å | ||
| 190 | F | 37.9 | Very low | 34.3 | Very low | 187 Ų | 187 | 122.6 Ų | 122.6 | 82% | 0.82 | 69% | 0.693 | S | S | * | * | trans | -104.7 | 91.4 | 143.9 | -157.7 | -97.6 | 0 | 0 | 0 | 107.5 | E192 | F190-E192 HydrophobicContact CD1-CB 4.32Å; F190-E192 HydrophobicContact CE1-CB 4.02Å | ||
| 191 | A | 43.4 | Very low | 35.1 | Very low | 63 Ų | 63 | 119 Ų | 119 | 52% | 0.521 | 66% | 0.662 | S | S | . | * | trans | -97.8 | 94.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | S193 | A191-S193 PolarHBondContact O-N 3.22Š| ||
| 192 | E | 38.4 | Very low | 36.3 | Very low | 147 Ų | 147 | 118.3 Ų | 118.3 | 69% | 0.687 | 64% | 0.641 | S | S | * | * | trans | -66.7 | 95.5 | 170.6 | -173.1 | 159.3 | -177 | 0 | 0 | 108.9 | F190 Q194 | F190-E192 HydrophobicContact CD1-CB 4.32Å; F190-E192 HydrophobicContact CE1-CB 4.02Å; E192-Q194 PolarHBondContact O-N 3.49Å | ||
| 193 | S | 42.6 | Very low | 37.7 | Very low | 63 Ų | 63 | 113.6 Ų | 113.6 | 44% | 0.441 | 63% | 0.625 | S | S | . | * | trans | -82.3 | 94.1 | 170.6 | 60.8 | 0 | 0 | 0 | 0 | 109 | A191 F195 | A191-S193 PolarHBondContact O-N 3.22Å; S193-F195 VanDerWaalsContact CB-CE2 3.46Å; S193-F195 PolarHBondContact O-N 3.35Å; S193-F195 WeakPolarHBondContact OG-CE2 3.27Å | ||
| 194 | Q | 38.3 | Very low | 39.1 | Very low | 173 Ų | 173 | 113.2 Ų | 113.2 | 81% | 0.808 | 61% | 0.609 | S | S | * | * | trans | -64.9 | 97.6 | 163.5 | -109.5 | -176.7 | 11.4 | 0 | 0 | 108.8 | E192 | E192-Q194 PolarHBondContact O-N 3.49Š| ||
| 195 | F | 45.7 | Very low | 40.6 | Very low | 130 Ų | 130 | 111.8 Ų | 111.8 | 57% | 0.57 | 59% | 0.591 | S | S | * | * | trans | -89.6 | 109.7 | 167.5 | -76.3 | -76.2 | 0 | 0 | 0 | 109.3 | S193 F197 S214 | S193-F195 VanDerWaalsContact CB-CE2 3.46Å; S193-F195 PolarHBondContact O-N 3.35Å; S193-F195 WeakPolarHBondContact OG-CE2 3.27Å; F195-F197 PolarHBondContact O-N 3.49Å; F195-S214 WeakPolarHBondContact CE2-O 3.49Å; F195-S214 VanDerWaalsContact CZ-O 3.25Å; F195-S214 WeakPolarHBondContact CZ-O 3.37Å | ||
| 196 | G | 30.4 | Very low | 42.2 | Very low | 85 Ų | 85 | 101.2 Ų | 101.2 | 88% | 0.876 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 120.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 197 | F | 37 | Very low | 44.3 | Very low | 122 Ų | 122 | 99.8 Ų | 99.8 | 54% | 0.535 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -98 | 126.2 | -175.2 | -137.7 | -102.2 | 0 | 0 | 0 | 110.5 | F195 Q201 | F195-F197 PolarHBondContact O-N 3.49Å; F197-Q201 HydrophobicContact CE1-CB 3.9Å; F197-Q201 HydrophobicContact CE1-CG 4.32Å |
| 198 | D | 32.7 | Very low | 46.6 | Very low | 122 Ų | 122 | 93 Ų | 93 | 65% | 0.652 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 134.7 | 174.8 | -170 | 11.4 | 0 | 0 | 0 | 110.6 | A200 | D198-A200 PolarHBondContact O-N 3.43Š|
| 199 | S | 36.5 | Very low | 48.8 | Very low | 95 Ų | 95 | 90.1 Ų | 90.1 | 66% | 0.664 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -66.3 | 8.1 | -166.7 | 56.6 | 0 | 0 | 0 | 0 | 116.4 | ||
| 200 | A | 36.6 | Very low | 51.1 | Low | 82 Ų | 82 | 90.7 Ų | 90.7 | 68% | 0.678 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -103.2 | 18.9 | -169 | 0 | 0 | 0 | 0 | 0 | 115.7 | D198 | D198-A200 PolarHBondContact O-N 3.43Š|
| 201 | Q | 49.8 | Very low | 53.3 | Low | 50 Ų | 50 | 84.8 Ų | 84.8 | 23% | 0.234 | 48% | 0.481 | C | S | . | . | trans | -126.7 | 17.1 | -164.9 | -73.9 | -168.4 | 7.5 | 0 | 0 | 118.6 | F197 L203 K204 | F197-Q201 HydrophobicContact CE1-CB 3.9Å; F197-Q201 HydrophobicContact CE1-CG 4.32Å; Q201-L203 VanDerWaalsContact C-N 3.35Å; Q201-L203 PolarHBondContact O-N 3.35Å; Q201-K204 HydrophobicContact CG-CD 4.23Å; Q201-K204 PolarHBondContact O-N 3.4Å; Q201-K204 VanDerWaalsContact O-N 3.1Å | ||
| 202 | E | 51.6 | Low | 55.4 | Low | 53 Ų | 53 | 87.4 Ų | 87.4 | 25% | 0.248 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -63.9 | -37.3 | -178.2 | -70.8 | 148.5 | -174.2 | 0 | 0 | 113.7 | K204 A205 S321 | E202-K204 PolarHBondContact O-N 3.39Å; E202-A205 PolarHBondContact O-N 3.1Å; E202-S321 WeakPolarHBondContact OE1-CA 3.25Å; E202-S321 PolarHBondContact OE1-N 3.13Å; E202-S321 WeakPolarHBondContact OE2-CA 3.42Å; E202-S321 WeakPolarHBondContact OE2-CB 3.48Å; E202-S321 PolarHBondContact OE2-OG 2.83Å |
| 203 | L | 57.9 | Low | 57.7 | Low | 100 Ų | 100 | 82.5 Ų | 82.5 | 52% | 0.524 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.5 | -23.1 | 177.1 | -74.9 | 160.2 | 0 | 0 | 0 | 112.9 | Q201 F324 | Q201-L203 VanDerWaalsContact C-N 3.35Å; Q201-L203 PolarHBondContact O-N 3.35Å; L203-F324 HydrophobicContact CD2-CE2 4.35Å |
| 204 | K | 58.1 | Low | 59.8 | Low | 105 Ų | 105 | 81.5 Ų | 81.5 | 46% | 0.457 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -80.9 | -32.2 | -178 | -70.7 | -173.6 | -176.8 | -179.6 | 0 | 111.7 | Q201 E202 A206 K207 G208 V209 | Q201-K204 HydrophobicContact CG-CD 4.23Å; Q201-K204 PolarHBondContact O-N 3.4Å; Q201-K204 VanDerWaalsContact O-N 3.1Å; E202-K204 PolarHBondContact O-N 3.39Å; K204-A206 VanDerWaalsContact C-N 3.29Å; K204-A206 PolarHBondContact O-N 2.82Å; K204-K207 PolarHBondContact O-N 3.33Å; K204-G208 PolarHBondContact O-N 2.82Å; K204-V209 HydrophobicContact CB-CG2 3.86Å; K204-V209 HydrophobicContact CG-CG2 4.36Å; K204-V209 WeakPolarHBondContact O-CG2 3.26Å |
| 205 | A | 59 | Low | 62.1 | Low | 32 Ų | 32 | 74.1 Ų | 74.1 | 26% | 0.264 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.3 | -36.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | E202 G208 | E202-A205 PolarHBondContact O-N 3.1Å; A205-G208 PolarHBondContact O-N 3.47Å |
| 206 | A | 62 | Low | 64.2 | Low | 6 Ų | 6 | 71.3 Ų | 71.3 | 5% | 0.05 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -67.5 | -37.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K204 G208 V353 L378 | K204-A206 VanDerWaalsContact C-N 3.29Å; K204-A206 PolarHBondContact O-N 2.82Å; A206-G208 VanDerWaalsContact C-N 3.35Å; A206-V353 HydrophobicContact CB-CG1 3.21Å; A206-L378 HydrophobicContact CB-CD2 3.44Å; A206-L378 VanDerWaalsContact CB-CD2 3.44Å |
| 207 | K | 71.7 | Confident | 66.9 | Low | 124 Ų | 124 | 67.6 Ų | 67.6 | 54% | 0.539 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -81.7 | -16 | -177.7 | -66.1 | -176.3 | 177.5 | -173.2 | 0 | 113 | K204 H354 | K204-K207 PolarHBondContact O-N 3.33Å; K207-H354 VanDerWaalsContact CE-O 3.24Å; K207-H354 WeakPolarHBondContact CE-O 2.89Å; K207-H354 PolarHBondContact NZ-O 3.05Å |
| 208 | G | 76 | Confident | 69.3 | Low | 26 Ų | 26 | 63 Ų | 63 | 27% | 0.268 | 36% | 0.357 | S | S | . | . | trans | 76.3 | 130.4 | -166.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | K204 A205 A206 V293 | K204-G208 PolarHBondContact O-N 2.82Å; A205-G208 PolarHBondContact O-N 3.47Å; A206-G208 VanDerWaalsContact C-N 3.35Å; G208-V293 VanDerWaalsContact CA-O 3.28Å; G208-V293 WeakPolarHBondContact CA-O 3.44Å | ||
| 209 | V | 82.3 | Confident | 71.9 | Confident | 47 Ų | 47 | 58.7 Ų | 58.7 | 29% | 0.285 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 139.8 | -178.6 | 169.4 | 0 | 0 | 0 | 0 | 109 | K204 R211 V293 | K204-V209 HydrophobicContact CB-CG2 3.86Å; K204-V209 HydrophobicContact CG-CG2 4.36Å; K204-V209 WeakPolarHBondContact O-CG2 3.26Å; V209-R211 HydrophobicContact CG1-CG 4.19Å; V209-V293 PolarHBondContact N-O 3.5Å; V209-V293 WeakPolarHBondContact O-CB 3.12Å; V209-V293 VanDerWaalsContact O-CG2 3.29Å; V209-V293 WeakPolarHBondContact O-CG2 3.44Å; V209-V293 PolarHBondContact O-N 3.13Å |
| 210 | T | 85.4 | Confident | 74.5 | Confident | 93 Ų | 93 | 56.2 Ų | 56.2 | 57% | 0.571 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 122.1 | 167.7 | -53.5 | 0 | 0 | 0 | 0 | 109.3 | A290 | T210-A290 HydrophobicContact CG2-CB 4Å |
| 211 | R | 84.5 | Confident | 77.1 | Confident | 63 Ų | 63 | 52.3 Ų | 52.3 | 24% | 0.238 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.1 | -178.9 | -71.9 | -68 | 176.9 | 179.4 | -3.4 | 111 | V209 V291 V293 | V209-R211 HydrophobicContact CG1-CG 4.19Å; R211-V291 PolarHBondContact N-O 3.44Å; R211-V291 PolarHBondContact O-N 3.04Å; R211-V293 HydrophobicContact CB-CG2 4.39Å; R211-V293 HydrophobicContact CG-CG2 4.13Å |
| 212 | N | 87.1 | Confident | 79 | Confident | 118 Ų | 118 | 53.4 Ų | 53.4 | 63% | 0.631 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 120.1 | 171.4 | -65.9 | -19.4 | 0 | 0 | 0 | 108.8 | T288 V289 A290 | N212-T288 HydrophobicContact CB-CG2 3.85Å; N212-V289 WeakPolarHBondContact CA-O 3.5Å; N212-A290 WeakPolarHBondContact OD1-CA 3.36Å; N212-A290 WeakPolarHBondContact OD1-CB 3.42Å |
| 213 | I | 85.9 | Confident | 80.9 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 23% | 0.226 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 142.3 | 174.7 | 61.6 | 169.4 | 0 | 0 | 0 | 109.5 | V215 T288 V289 V291 V314 | I213-V215 HydrophobicContact CD1-CG2 3.7Å; I213-V215 HydrophobicContact CG1-CG2 3.94Å; I213-T288 CarbonylContact O-C 3.37Å; I213-T288 WeakPolarHBondContact O-CA 3.46Å; I213-V289 HydrophobicContact CG1-CB 4.35Å; I213-V289 PolarHBondContact N-O 2.77Å; I213-V289 PolarHBondContact O-N 2.81Å; I213-V291 HydrophobicContact CD1-CG2 3.51Å; I213-V291 HydrophobicContact CG1-CG2 3.66Å; I213-V314 HydrophobicContact CD1-CG1 4.36Å; I213-V314 HydrophobicContact CD1-CG2 3.8Å |
| 214 | S | 87.4 | Confident | 82.5 | Confident | 42 Ų | 42 | 50.2 Ų | 50.2 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 109.6 | 176.4 | -63.3 | 0 | 0 | 0 | 0 | 109 | F195 K287 | F195-S214 WeakPolarHBondContact CE2-O 3.49Å; F195-S214 VanDerWaalsContact CZ-O 3.25Å; F195-S214 WeakPolarHBondContact CZ-O 3.37Å; S214-K287 WeakPolarHBondContact CA-O 3.36Å |
| 215 | V | 87.1 | Confident | 84 | Confident | 17 Ų | 17 | 49.2 Ų | 49.2 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 136.7 | -179.3 | -172.3 | 0 | 0 | 0 | 0 | 109.2 | I213 V217 K287 V312 | I213-V215 HydrophobicContact CD1-CG2 3.7Å; I213-V215 HydrophobicContact CG1-CG2 3.94Å; V215-V217 HydrophobicContact CB-CG2 4.19Å; V215-V217 HydrophobicContact CG1-CG2 3.76Å; V215-K287 PolarHBondContact N-O 2.92Å; V215-K287 PolarHBondContact O-N 2.85Å; V215-V312 HydrophobicContact CG1-CG1 4.19Å; V215-V312 HydrophobicContact CG1-CG2 4.27Å |
| 216 | N | 88.9 | Confident | 85.4 | Confident | 72 Ų | 72 | 49.1 Ų | 49.1 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 117.1 | 170.6 | -63.3 | -26.5 | 0 | 0 | 0 | 108.1 | V284 | N216-V284 HydrophobicContact CB-CG1 3.86Å |
| 217 | V | 86.9 | Confident | 86.7 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.036 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 130.4 | -177.9 | -175.6 | 0 | 0 | 0 | 0 | 108.1 | V215 D219 Q285 V307 K310 V312 | V215-V217 HydrophobicContact CB-CG2 4.19Å; V215-V217 HydrophobicContact CG1-CG2 3.76Å; V217-D219 PolarHBondContact O-N 2.89Å; V217-Q285 PolarHBondContact N-O 3.17Å; V217-Q285 PolarHBondContact O-N 3.5Å; V217-V307 HydrophobicContact CG2-CB 4.25Å; V217-V307 HydrophobicContact CG2-CG1 3.8Å; V217-K310 HydrophobicContact CG1-CB 3.94Å; V217-K310 HydrophobicContact CG1-CD 3.85Å; V217-K310 HydrophobicContact CG1-CG 4.04Å; V217-V312 HydrophobicContact CG2-CG2 4.44Å |
| 218 | V | 88.6 | Confident | 87.5 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 15% | 0.152 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 116.4 | 167.9 | 169.2 | 0 | 0 | 0 | 0 | 108.8 | D189 N282 V284 K310 | D189-V218 WeakPolarHBondContact OD2-CB 3.45Å; D189-V218 WeakPolarHBondContact OD2-CG2 3.5Å; V218-N282 HydrophobicContact CG1-CB 3.54Å; V218-V284 HydrophobicContact CG2-CG2 3.69Å; V218-K310 WeakPolarHBondContact O-CE 3.42Å |
| 219 | D | 87.4 | Confident | 88.3 | Confident | 32 Ų | 32 | 53.8 Ų | 53.8 | 17% | 0.171 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 173.4 | 175.4 | -161.7 | 5.6 | 0 | 0 | 0 | 110.1 | V217 C221 N282 T283 K287 | V217-D219 PolarHBondContact O-N 2.89Å; D219-C221 PolarHBondContact O-N 3.02Å; D219-N282 CarbonylContact O-C 3.59Å; D219-N282 WeakPolarHBondContact O-CA 3.49Å; D219-N282 WeakPolarHBondContact O-CB 3.26Å; D219-T283 PolarHBondContact N-O 3.35Å; D219-T283 PolarHBondContact O-N 3.37Å; D219-K287 WeakPolarHBondContact OD2-CE 3.46Å; D219-K287 IonicContact OD2-NZ 3.14Å; D219-K287 PolarHBondContact OD2-NZ 3.45Å |
| 220 | T | 90.5 | Very high | 88.7 | Confident | 44 Ų | 44 | 53.1 Ų | 53.1 | 27% | 0.27 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 126.9 | 175.9 | -48.3 | 0 | 0 | 0 | 0 | 109.7 | G226 Q285 | T220-G226 VanDerWaalsContact CG2-N 3.3Å; T220-Q285 PolarHBondContact O-NE2 2.74Å |
| 221 | C | 90.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -54 | 128.1 | 179.7 | 170.6 | 0 | 0 | 0 | 0 | 110.2 | D219 K223 C224 S225 C277 G281 T283 | D219-C221 PolarHBondContact O-N 3.02Å; C221-K223 PolarHBondContact O-N 3.5Å; C221-C224 VanDerWaalsContact CB-SG 3.54Å; C221-S225 WeakPolarHBondContact O-CA 3.44Å; C221-S225 PolarHBondContact O-N 3.12Å; C221-C277 HydrophobicContact CB-CB 3.8Å; C221-G281 WeakPolarHBondContact CB-O 3.43Å; C221-G281 PolarHBondContact N-O 3.26Å; C221-T283 HydrophobicContact CB-CG2 3.91Å | ||
| 222 | P | 90.4 | Very high | 89 | Confident | 73 Ų | 73 | 53.1 Ų | 53.1 | 47% | 0.474 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -35.8 | -172.4 | 28.2 | -28.7 | 0 | 0 | 0 | 110.9 | E276 T283 Q285 | P222-E276 WeakPolarHBondContact CD-OE1 3.11Å; P222-E276 WeakPolarHBondContact CG-OE1 3.42Å; P222-E276 WeakPolarHBondContact CG-OE2 3.07Å; P222-T283 WeakPolarHBondContact CD-OG1 3.47Å; P222-Q285 VanDerWaalsContact CD-NE2 3.33Å |
| 223 | K | 91.6 | Very high | 89.1 | Confident | 80 Ų | 80 | 54 Ų | 54 | 35% | 0.348 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -50.6 | 179.3 | -174.9 | 176.6 | -172.7 | -168 | 0 | 114.1 | C221 E230 P231 E276 | C221-K223 PolarHBondContact O-N 3.5Å; K223-E230 WeakPolarHBondContact CE-OE1 3.05Å; K223-E230 WeakPolarHBondContact CE-OE2 3.24Å; K223-E230 VanDerWaalsContact NZ-CD 3.33Å; K223-E230 IonicContact NZ-OE1 3.21Å; K223-E230 PolarHBondContact NZ-OE1 3.44Å; K223-E230 IonicContact NZ-OE2 2.6Å; K223-E230 PolarHBondContact NZ-OE2 3.05Å; K223-P231 HydrophobicContact CG-CG 3.81Å; K223-P231 WeakPolarHBondContact O-CG 3.43Å; K223-E276 HydrophobicContact CB-CB 4.34Å; K223-E276 WeakPolarHBondContact CB-OE2 3.5Å; K223-E276 HydrophobicContact CD-CB 4.16Å; K223-E276 PolarHBondContact N-OE2 3.07Å |
| 224 | C | 91 | Very high | 89.1 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.034 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -8 | -179.5 | 71.6 | 0 | 0 | 0 | 0 | 114.5 | C221 G226 K227 T229 C274 | C221-C224 VanDerWaalsContact CB-SG 3.54Å; C224-G226 PolarHBondContact O-N 3.48Å; C224-K227 HydrophobicContact CB-CB 4.47Å; C224-K227 VanDerWaalsContact O-CB 3.25Å; C224-K227 WeakPolarHBondContact O-CB 3.14Å; C224-K227 VanDerWaalsContact O-CG 3.28Å; C224-K227 WeakPolarHBondContact O-CG 3.31Å; C224-K227 PolarHBondContact O-N 2.8Å; C224-T229 WeakPolarHBondContact CB-O 3.42Å; C224-C274 HydrophobicContact CB-CB 3.83Å |
| 225 | S | 89.8 | Confident | 89.1 | Confident | 85 Ų | 85 | 61.7 Ų | 61.7 | 59% | 0.594 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 38.6 | -174 | -46.3 | 0 | 0 | 0 | 0 | 112.9 | C221 K227 | C221-S225 WeakPolarHBondContact O-CA 3.44Å; C221-S225 PolarHBondContact O-N 3.12Å; S225-K227 PolarHBondContact O-N 3Å |
| 226 | G | 88.1 | Confident | 89.2 | Confident | 30 Ų | 30 | 63.7 Ų | 63.7 | 31% | 0.309 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | 1.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | T220 C224 K228 G281 | T220-G226 VanDerWaalsContact CG2-N 3.3Å; C224-G226 PolarHBondContact O-N 3.48Å; G226-K228 PolarHBondContact O-N 3.31Å; G226-G281 WeakPolarHBondContact CA-O 3.47Å |
| 227 | K | 89.1 | Confident | 89.3 | Confident | 152 Ų | 152 | 63.4 Ų | 63.4 | 66% | 0.661 | 36% | 0.355 | S | S | * | . | trans | -72.7 | -12 | 179.4 | -66.1 | 176 | -178.9 | 175 | 0 | 114.5 | C224 S225 T229 | C224-K227 HydrophobicContact CB-CB 4.47Å; C224-K227 VanDerWaalsContact O-CB 3.25Å; C224-K227 WeakPolarHBondContact O-CB 3.14Å; C224-K227 VanDerWaalsContact O-CG 3.28Å; C224-K227 WeakPolarHBondContact O-CG 3.31Å; C224-K227 PolarHBondContact O-N 2.8Å; S225-K227 PolarHBondContact O-N 3Å; K227-T229 PolarHBondContact O-N 3.4Å | ||
| 228 | K | 89.3 | Confident | 89.5 | Confident | 96 Ų | 96 | 63.2 Ų | 63.2 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 64.7 | -9.5 | -177.8 | -54.2 | 178.4 | 178.2 | -172.6 | 0 | 115.1 | G226 N270 C274 G279 T280 | G226-K228 PolarHBondContact O-N 3.31Å; K228-N270 PolarHBondContact O-ND2 3.12Å; K228-C274 PolarHBondContact O-N 2.97Å; K228-G279 WeakPolarHBondContact CB-O 3.34Å; K228-G279 WeakPolarHBondContact CD-O 3.29Å; K228-G279 WeakPolarHBondContact CG-O 3.32Å; K228-G279 WeakPolarHBondContact O-CA 3.43Å; K228-T280 WeakPolarHBondContact CE-O 3.42Å |
| 229 | T | 91.8 | Very high | 89.5 | Confident | 6 Ų | 6 | 65.6 Ų | 65.6 | 4% | 0.037 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -102.1 | 156 | 176.3 | 57.3 | 0 | 0 | 0 | 0 | 111.4 | C224 K227 Y233 M235 T272 | C224-T229 WeakPolarHBondContact CB-O 3.42Å; K227-T229 PolarHBondContact O-N 3.4Å; T229-Y233 PolarHBondContact OG1-O 2.86Å; T229-M235 HydrophobicContact CG2-CG 3.72Å; T229-M235 HydrophobicContact CG2-SD 3.52Å; T229-M235 VanDerWaalsContact CG2-SD 3.52Å; T229-T272 WeakPolarHBondContact CA-O 3.49Å |
| 230 | E | 90.8 | Very high | 89.5 | Confident | 32 Ų | 32 | 71.1 Ų | 71.1 | 15% | 0.15 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 140.8 | 170.1 | -167.5 | 67.8 | -178.6 | 0 | 0 | 110.6 | K223 G232 Y233 T272 C274 L275 | K223-E230 WeakPolarHBondContact CE-OE1 3.05Å; K223-E230 WeakPolarHBondContact CE-OE2 3.24Å; K223-E230 VanDerWaalsContact NZ-CD 3.33Å; K223-E230 IonicContact NZ-OE1 3.21Å; K223-E230 PolarHBondContact NZ-OE1 3.44Å; K223-E230 IonicContact NZ-OE2 2.6Å; K223-E230 PolarHBondContact NZ-OE2 3.05Å; E230-G232 PolarHBondContact O-N 2.8Å; E230-Y233 HydrophobicContact CB-CD2 3.94Å; E230-Y233 HydrophobicContact CG-CD2 4.36Å; E230-Y233 WeakPolarHBondContact O-CB 2.9Å; E230-Y233 PolarHBondContact O-N 2.89Å; E230-T272 HydrophobicContact CB-CG2 3.76Å; E230-T272 HydrophobicContact CG-CG2 4.47Å; E230-T272 PolarHBondContact N-O 2.85Å; E230-C274 WeakPolarHBondContact OE2-CA 3.41Å; E230-L275 PolarHBondContact OE2-N 3.4Å |
| 231 | P | 89.4 | Confident | 89.5 | Confident | 72 Ų | 72 | 69.4 Ų | 69.4 | 47% | 0.468 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 129.6 | -179.4 | -28.7 | 36.9 | 0 | 0 | 0 | 112.4 | K223 | K223-P231 HydrophobicContact CG-CG 3.81Å; K223-P231 WeakPolarHBondContact O-CG 3.43Å |
| 232 | G | 87.1 | Confident | 89.4 | Confident | 84 Ų | 84 | 75.9 Ų | 75.9 | 87% | 0.866 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.6 | -19.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E230 | E230-G232 PolarHBondContact O-N 2.8Š|
| 233 | Y | 89 | Confident | 89.3 | Confident | 138 Ų | 138 | 74.2 Ų | 74.2 | 54% | 0.541 | 41% | 0.409 | S | S | . | . | trans | -96.2 | 146.8 | 175.6 | -63.8 | -90.8 | 0 | 0 | 0 | 111.6 | T229 E230 T272 | T229-Y233 PolarHBondContact OG1-O 2.86Å; E230-Y233 HydrophobicContact CB-CD2 3.94Å; E230-Y233 HydrophobicContact CG-CD2 4.36Å; E230-Y233 WeakPolarHBondContact O-CB 2.9Å; E230-Y233 PolarHBondContact O-N 2.89Å; Y233-T272 HydrophobicContact CD2-CG2 4.19Å; Y233-T272 HydrophobicContact CE2-CG2 4.33Å; Y233-T272 HydrophobicContact CG-CG2 4.37Å | ||
| 234 | K | 86.6 | Confident | 89.2 | Confident | 182 Ų | 182 | 74 Ų | 74 | 79% | 0.791 | 42% | 0.418 | S | S | * | . | trans | -111.2 | 151.7 | 177.4 | -63.8 | -179.3 | -177.5 | 177 | 0 | 110.3 | V236 | K234-V236 PolarHBondContact O-N 3.49Š| ||
| 235 | M | 87.1 | Confident | 89.2 | Confident | 65 Ų | 65 | 74 Ų | 74 | 32% | 0.32 | 42% | 0.418 | S | S | . | . | trans | -61.6 | 132.6 | 168.7 | -71.7 | -67.3 | -85.5 | 0 | 0 | 109.2 | T229 Q268 N270 | T229-M235 HydrophobicContact CG2-CG 3.72Å; T229-M235 HydrophobicContact CG2-SD 3.52Å; T229-M235 VanDerWaalsContact CG2-SD 3.52Å; M235-Q268 HydrophobicContact CE-CB 3.77Å; M235-N270 HydrophobicContact CE-CB 4.14Å; M235-N270 HydrophobicContact SD-CB 3.66Å | ||
| 236 | V | 89.4 | Confident | 89.3 | Confident | 59 Ų | 59 | 75 Ų | 75 | 36% | 0.358 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 147 | -180 | -173.1 | 0 | 0 | 0 | 0 | 108.3 | K234 C238 Q268 Y269 K271 | K234-V236 PolarHBondContact O-N 3.49Å; V236-C238 PolarHBondContact O-N 2.88Å; V236-Q268 CarbonylContact O-C 3.59Å; V236-Q268 WeakPolarHBondContact O-CA 3.44Å; V236-Y269 PolarHBondContact N-O 2.98Å; V236-Y269 PolarHBondContact O-N 2.99Å; V236-K271 HydrophobicContact CG2-CD 4.24Å |
| 237 | S | 90.9 | Very high | 89.3 | Confident | 66 Ų | 66 | 74.5 Ų | 74.5 | 46% | 0.462 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 139.3 | 170.7 | -174.5 | 0 | 0 | 0 | 0 | 110.1 | P239 G243 | S237-P239 WeakPolarHBondContact O-CD 3.21Å; S237-G243 WeakPolarHBondContact OG-CA 3.38Å; S237-G243 PolarHBondContact OG-N 3.21Å |
| 238 | C | 90.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.007 | 40% | 0.396 | C | S | . | . | trans | -66 | 121.2 | -178.6 | -179 | 0 | 0 | 0 | 0 | 109.8 | V236 Y240 C241 N242 G243 C260 C263 G267 | V236-C238 PolarHBondContact O-N 2.88Å; C238-Y240 PolarHBondContact O-N 2.78Å; C238-C241 VanDerWaalsContact CB-SG 3.54Å; C238-N242 WeakPolarHBondContact O-CA 3.02Å; C238-N242 PolarHBondContact O-N 3.15Å; C238-G243 PolarHBondContact O-N 3.39Å; C238-C260 VanDerWaalsContact SG-SG 3.61Å; C238-C263 HydrophobicContact CB-CB 3.85Å; C238-G267 WeakPolarHBondContact CB-O 3.27Å; C238-G267 PolarHBondContact N-O 3.47Å | ||
| 239 | P | 88.8 | Confident | 89.1 | Confident | 75 Ų | 75 | 70.4 Ų | 70.4 | 49% | 0.487 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -16.6 | -175.3 | 27.9 | -35 | 0 | 0 | 0 | 113.6 | S237 N242 | S237-P239 WeakPolarHBondContact O-CD 3.21Å; P239-N242 PolarHBondContact O-OD1 3.42Å |
| 240 | Y | 88.7 | Confident | 88.8 | Confident | 149 Ų | 149 | 74.3 Ų | 74.3 | 58% | 0.584 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -36.6 | -177.9 | -66.4 | -88.5 | 0 | 0 | 0 | 112.9 | C238 E247 R262 | C238-Y240 PolarHBondContact O-N 2.78Å; Y240-E247 VanDerWaalsContact CB-OE1 3.24Å; Y240-E247 WeakPolarHBondContact CB-OE1 3.37Å; Y240-R262 HydrophobicContact CD2-CB 3.67Å; Y240-R262 HydrophobicContact CD2-CG 3.74Å; Y240-R262 HydrophobicContact CE2-CB 4.12Å; Y240-R262 HydrophobicContact CE2-CG 3.77Å; Y240-R262 HydrophobicContact CG-CB 4.3Å |
| 241 | C | 90.3 | Very high | 88.4 | Confident | 8 Ų | 8 | 81 Ų | 81 | 5% | 0.054 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 0.1 | 177.9 | 69.6 | 0 | 0 | 0 | 0 | 113 | C238 G243 S244 G245 M246 E247 C260 C263 | C238-C241 VanDerWaalsContact CB-SG 3.54Å; C241-G243 PolarHBondContact O-N 2.86Å; C241-G243 VanDerWaalsContact O-N 3.14Å; C241-S244 WeakPolarHBondContact CB-OG 3.28Å; C241-S244 VanDerWaalsContact O-CB 3.29Å; C241-S244 WeakPolarHBondContact O-CB 3.42Å; C241-S244 PolarHBondContact O-N 3.24Å; C241-S244 PolarHBondContact O-OG 3.05Å; C241-G245 PolarHBondContact SG-N 3.4Å; C241-M246 VanDerWaalsContact CB-O 3.27Å; C241-M246 WeakPolarHBondContact CB-O 3.25Å; C241-E247 HydrophobicContact CB-CG 4.42Å; C241-C260 HydrophobicContact CB-CB 3.79Å; C241-C263 VanDerWaalsContact SG-SG 3.68Å |
| 242 | N | 88.2 | Confident | 88.1 | Confident | 136 Ų | 136 | 80.6 Ų | 80.6 | 73% | 0.727 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 37.1 | -173.3 | -67.1 | -40.3 | 0 | 0 | 0 | 113.4 | C238 P239 | C238-N242 WeakPolarHBondContact O-CA 3.02Å; C238-N242 PolarHBondContact O-N 3.15Å; P239-N242 PolarHBondContact O-OD1 3.42Å |
| 243 | G | 88.1 | Confident | 88.2 | Confident | 37 Ų | 37 | 82.3 Ų | 82.3 | 38% | 0.381 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | -6.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | S237 C238 C241 G245 G267 | S237-G243 WeakPolarHBondContact OG-CA 3.38Å; S237-G243 PolarHBondContact OG-N 3.21Å; C238-G243 PolarHBondContact O-N 3.39Å; C241-G243 PolarHBondContact O-N 2.86Å; C241-G243 VanDerWaalsContact O-N 3.14Å; G243-G245 VanDerWaalsContact C-N 3.26Å; G243-G245 PolarHBondContact O-N 2.87Å; G243-G267 WeakPolarHBondContact CA-O 3.44Å |
| 244 | S | 90.5 | Very high | 87.9 | Confident | 76 Ų | 76 | 83.4 Ų | 83.4 | 53% | 0.531 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -73.3 | -13.8 | -178.3 | 66.8 | 0 | 0 | 0 | 0 | 114.6 | C241 M246 | C241-S244 WeakPolarHBondContact CB-OG 3.28Å; C241-S244 VanDerWaalsContact O-CB 3.29Å; C241-S244 WeakPolarHBondContact O-CB 3.42Å; C241-S244 PolarHBondContact O-N 3.24Å; C241-S244 PolarHBondContact O-OG 3.05Å; S244-M246 PolarHBondContact O-N 2.8Å; S244-M246 VanDerWaalsContact O-N 3.08Å; S244-M246 PolarHBondContact OG-N 3.34Å; S244-M246 PolarHBondContact OG-O 3.18Å |
| 245 | G | 89.3 | Confident | 87.9 | Confident | 4 Ų | 4 | 80.9 Ų | 80.9 | 4% | 0.041 | 46% | 0.46 | C | S | . | . | S | Bend | trans | 70.6 | -5.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | C241 G243 C260 G265 | C241-G245 PolarHBondContact SG-N 3.4Å; G243-G245 VanDerWaalsContact C-N 3.26Å; G243-G245 PolarHBondContact O-N 2.87Å; G245-C260 VanDerWaalsContact O-CB 3.29Å; G245-C260 WeakPolarHBondContact O-CB 3.41Å; G245-C260 PolarHBondContact O-N 3.16Å; G245-G265 WeakPolarHBondContact O-CA 3.36Å |
| 246 | M | 92.2 | Very high | 87.9 | Confident | 107 Ų | 107 | 83.3 Ų | 83.3 | 53% | 0.527 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 138.3 | -179.4 | -58.7 | -172.1 | -165 | 0 | 0 | 110.8 | C241 S244 Q258 | C241-M246 VanDerWaalsContact CB-O 3.27Å; C241-M246 WeakPolarHBondContact CB-O 3.25Å; S244-M246 PolarHBondContact O-N 2.8Å; S244-M246 VanDerWaalsContact O-N 3.08Å; S244-M246 PolarHBondContact OG-N 3.34Å; S244-M246 PolarHBondContact OG-O 3.18Å; M246-Q258 CarbonylContact C-O 3.55Å; M246-Q258 WeakPolarHBondContact CA-O 3.27Å |
| 247 | E | 89.2 | Confident | 87.9 | Confident | 19 Ų | 19 | 89.3 Ų | 89.3 | 9% | 0.089 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 128.2 | 171.4 | -77.2 | 165.9 | -170.9 | 0 | 0 | 108.3 | Y240 C241 F249 R257 Q258 C260 R261 | Y240-E247 VanDerWaalsContact CB-OE1 3.24Å; Y240-E247 WeakPolarHBondContact CB-OE1 3.37Å; C241-E247 HydrophobicContact CB-CG 4.42Å; E247-F249 HydrophobicContact CB-CD2 4.06Å; E247-F249 HydrophobicContact CB-CE2 3.36Å; E247-F249 HydrophobicContact CB-CZ 4.09Å; E247-F249 HydrophobicContact CG-CE2 4.39Å; E247-F249 WeakPolarHBondContact OE2-CE2 3.41Å; E247-F249 WeakPolarHBondContact OE2-CZ 3.34Å; E247-R257 WeakPolarHBondContact O-CA 3.21Å; E247-Q258 PolarHBondContact N-O 3.23Å; E247-Q258 PolarHBondContact O-N 2.93Å; E247-C260 HydrophobicContact CG-CB 3.85Å; E247-C260 PolarHBondContact OE1-SG 3.41Å; E247-R261 PolarHBondContact OE1-N 3Å; E247-R261 PolarHBondContact OE2-N 3.24Å; E247-R261 VanDerWaalsContact OE2-N 3.15Å |
| 248 | T | 88.4 | Confident | 88 | Confident | 79 Ų | 79 | 88.3 Ų | 88.3 | 49% | 0.485 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 121.3 | 174.5 | -56.3 | 0 | 0 | 0 | 0 | 108.4 | I255 R257 | T248-I255 HydrophobicContact CG2-CG2 3.33Å; T248-R257 HydrophobicContact CG2-CG 4.24Å; T248-R257 WeakPolarHBondContact OG1-CG 3.47Å |
| 249 | F | 84.5 | Confident | 88.1 | Confident | 83 Ų | 83 | 93 Ų | 93 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 117.6 | 175.2 | -67.4 | -99.7 | 0 | 0 | 0 | 108.1 | E247 M256 Q258 | E247-F249 HydrophobicContact CB-CD2 4.06Å; E247-F249 HydrophobicContact CB-CE2 3.36Å; E247-F249 HydrophobicContact CB-CZ 4.09Å; E247-F249 HydrophobicContact CG-CE2 4.39Å; E247-F249 WeakPolarHBondContact OE2-CE2 3.41Å; E247-F249 WeakPolarHBondContact OE2-CZ 3.34Å; F249-M256 PolarHBondContact N-O 3.08Å; F249-M256 PolarHBondContact O-N 3.46Å; F249-Q258 HydrophobicContact CD2-CG 3.62Å; F249-Q258 HydrophobicContact CE2-CG 3.37Å; F249-Q258 HydrophobicContact CZ-CG 4.46Å |
| 250 | S | 85.2 | Confident | 88.2 | Confident | 89 Ų | 89 | 89.5 Ų | 89.5 | 62% | 0.622 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 114.9 | 171.9 | 54.2 | 0 | 0 | 0 | 0 | 109 | F254 | S250-F254 WeakPolarHBondContact CA-O 3.29Å |
| 251 | Q | 83.6 | Confident | 88.3 | Confident | 171 Ų | 171 | 89.9 Ų | 89.9 | 80% | 0.799 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 98.6 | 170.3 | -171.1 | 170.4 | 9.4 | 0 | 0 | 108.2 | F254 | Q251-F254 PolarHBondContact N-O 3.13Å; Q251-F254 PolarHBondContact O-N 2.89Å |
| 252 | G | 83.6 | Confident | 88.2 | Confident | 65 Ų | 65 | 95.3 Ų | 95.3 | 67% | 0.67 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | -136 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F254 | G252-F254 PolarHBondContact O-N 3.41Š|
| 253 | P | 88.6 | Confident | 88.2 | Confident | 119 Ų | 119 | 89.1 Ų | 89.1 | 77% | 0.773 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -4.7 | -179.5 | 31.2 | -34.4 | 0 | 0 | 0 | 113.6 | ||
| 254 | F | 82.9 | Confident | 88.2 | Confident | 162 Ų | 162 | 95.6 Ų | 95.6 | 71% | 0.711 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125.9 | -179.7 | -59.2 | -76.1 | 0 | 0 | 0 | 111.1 | S250 Q251 G252 | S250-F254 WeakPolarHBondContact CA-O 3.29Å; Q251-F254 PolarHBondContact N-O 3.13Å; Q251-F254 PolarHBondContact O-N 2.89Å; G252-F254 PolarHBondContact O-N 3.41Å |
| 255 | I | 86.6 | Confident | 88.1 | Confident | 129 Ų | 129 | 93.8 Ų | 93.8 | 66% | 0.662 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 117.8 | 173.7 | -59.9 | 175.7 | 0 | 0 | 0 | 107.9 | T248 | T248-I255 HydrophobicContact CG2-CG2 3.33Å |
| 256 | M | 87.7 | Confident | 88 | Confident | 115 Ų | 115 | 98.3 Ų | 98.3 | 57% | 0.567 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129 | 178.7 | -177.4 | 172.9 | 61.8 | 0 | 0 | 110.2 | F249 | F249-M256 PolarHBondContact N-O 3.08Å; F249-M256 PolarHBondContact O-N 3.46Å |
| 257 | R | 89.3 | Confident | 87.8 | Confident | 185 Ų | 185 | 93.5 Ų | 93.5 | 70% | 0.698 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 124.5 | 170.7 | -71.8 | -175.2 | 176.1 | 175.2 | 2.9 | 109.2 | E247 T248 | E247-R257 WeakPolarHBondContact O-CA 3.21Å; T248-R257 HydrophobicContact CG2-CG 4.24Å; T248-R257 WeakPolarHBondContact OG1-CG 3.47Å |
| 258 | Q | 91.2 | Very high | 87.8 | Confident | 45 Ų | 45 | 97.4 Ų | 97.4 | 21% | 0.21 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 157.5 | 172 | 65.2 | -171.9 | -72.7 | 0 | 0 | 109.9 | M246 E247 F249 C260 R261 | M246-Q258 CarbonylContact C-O 3.55Å; M246-Q258 WeakPolarHBondContact CA-O 3.27Å; E247-Q258 PolarHBondContact N-O 3.23Å; E247-Q258 PolarHBondContact O-N 2.93Å; F249-Q258 HydrophobicContact CD2-CG 3.62Å; F249-Q258 HydrophobicContact CE2-CG 3.37Å; F249-Q258 HydrophobicContact CZ-CG 4.46Å; Q258-C260 PolarHBondContact O-N 3.37Å; Q258-R261 VanDerWaalsContact OE1-CZ 3.28Å |
| 259 | T | 93.1 | Very high | 87.7 | Confident | 101 Ų | 101 | 96.4 Ų | 96.4 | 62% | 0.62 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 131.5 | 170.5 | 49.1 | 0 | 0 | 0 | 0 | 109 | R261 | T259-R261 PolarHBondContact O-N 3.18Å; T259-R261 VanDerWaalsContact O-N 3.13Å |
| 260 | C | 91.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 94.1 Ų | 94.1 | 0% | 0 | 48% | 0.483 | C | S | . | . | trans | -52.7 | 121.9 | -177.6 | 168.2 | 0 | 0 | 0 | 0 | 110.5 | C238 C241 G245 E247 Q258 R262 C263 F264 | C238-C260 VanDerWaalsContact SG-SG 3.61Å; C241-C260 HydrophobicContact CB-CB 3.79Å; G245-C260 VanDerWaalsContact O-CB 3.29Å; G245-C260 WeakPolarHBondContact O-CB 3.41Å; G245-C260 PolarHBondContact O-N 3.16Å; E247-C260 HydrophobicContact CG-CB 3.85Å; E247-C260 PolarHBondContact OE1-SG 3.41Å; Q258-C260 PolarHBondContact O-N 3.37Å; C260-R262 PolarHBondContact O-N 3.08Å; C260-R262 VanDerWaalsContact O-N 3.17Å; C260-C263 WeakPolarHBondContact CB-SG 3.25Å; C260-C263 PolarHBondContact SG-N 3.34Å; C260-C263 PolarHBondContact SG-SG 3.05Å; C260-F264 VanDerWaalsContact O-CA 3.3Å; C260-F264 WeakPolarHBondContact O-CA 2.91Å; C260-F264 PolarHBondContact O-N 2.82Å | ||
| 261 | R | 90.1 | Very high | 87.9 | Confident | 157 Ų | 157 | 96.4 Ų | 96.4 | 59% | 0.592 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -21.2 | -174.6 | -64 | 179.4 | 177.3 | -159.3 | -2.9 | 112.6 | E247 Q258 T259 | E247-R261 PolarHBondContact OE1-N 3Å; E247-R261 PolarHBondContact OE2-N 3.24Å; E247-R261 VanDerWaalsContact OE2-N 3.15Å; Q258-R261 VanDerWaalsContact OE1-CZ 3.28Å; T259-R261 PolarHBondContact O-N 3.18Å; T259-R261 VanDerWaalsContact O-N 3.13Å |
| 262 | R | 88.5 | Confident | 88.2 | Confident | 123 Ų | 123 | 90.6 Ų | 90.6 | 46% | 0.464 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -42.3 | -176.9 | -161.3 | 72.7 | -176.2 | 179.5 | 4.1 | 114.4 | Y240 C260 Y269 | Y240-R262 HydrophobicContact CD2-CB 3.67Å; Y240-R262 HydrophobicContact CD2-CG 3.74Å; Y240-R262 HydrophobicContact CE2-CB 4.12Å; Y240-R262 HydrophobicContact CE2-CG 3.77Å; Y240-R262 HydrophobicContact CG-CB 4.3Å; C260-R262 PolarHBondContact O-N 3.08Å; C260-R262 VanDerWaalsContact O-N 3.17Å; R262-Y269 HydrophobicContact CG-CD2 3.76Å; R262-Y269 HydrophobicContact CG-CE2 3.84Å; R262-Y269 VanDerWaalsContact NE-CE2 3.26Å; R262-Y269 PolarHBondContact NH2-OH 2.96Å |
| 263 | C | 88.7 | Confident | 88.5 | Confident | 5 Ų | 5 | 90.3 Ų | 90.3 | 3% | 0.034 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -3.9 | -179.9 | 72.7 | 0 | 0 | 0 | 0 | 113.4 | C238 C241 C260 G265 T266 G267 Q268 | C238-C263 HydrophobicContact CB-CB 3.85Å; C241-C263 VanDerWaalsContact SG-SG 3.68Å; C260-C263 WeakPolarHBondContact CB-SG 3.25Å; C260-C263 PolarHBondContact SG-N 3.34Å; C260-C263 PolarHBondContact SG-SG 3.05Å; C263-G265 PolarHBondContact O-N 2.79Å; C263-T266 WeakPolarHBondContact CB-OG1 3.38Å; C263-T266 WeakPolarHBondContact O-CB 3.28Å; C263-T266 WeakPolarHBondContact O-CG2 3.41Å; C263-T266 PolarHBondContact O-N 2.87Å; C263-T266 PolarHBondContact O-OG1 2.89Å; C263-G267 PolarHBondContact SG-N 3.43Å; C263-Q268 VanDerWaalsContact CB-O 3.27Å; C263-Q268 WeakPolarHBondContact CB-O 3.45Å |
| 264 | F | 88.2 | Confident | 88.7 | Confident | 173 Ų | 173 | 84.6 Ų | 84.6 | 76% | 0.759 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 38.1 | -175.9 | -56.6 | -78.7 | 0 | 0 | 0 | 112.6 | C260 | C260-F264 VanDerWaalsContact O-CA 3.3Å; C260-F264 WeakPolarHBondContact O-CA 2.91Å; C260-F264 PolarHBondContact O-N 2.82Å |
| 265 | G | 88.3 | Confident | 89.1 | Confident | 38 Ų | 38 | 83.1 Ų | 83.1 | 39% | 0.392 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88 | -7.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | G245 C263 G267 | G245-G265 WeakPolarHBondContact O-CA 3.36Å; C263-G265 PolarHBondContact O-N 2.79Å; G265-G267 VanDerWaalsContact C-N 3.25Å; G265-G267 PolarHBondContact O-N 3.27Å |
| 266 | T | 87.4 | Confident | 89.3 | Confident | 99 Ų | 99 | 81.2 Ų | 81.2 | 61% | 0.607 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -72.7 | -14.4 | -177 | 60.6 | 0 | 0 | 0 | 0 | 114.5 | C263 Q268 | C263-T266 WeakPolarHBondContact CB-OG1 3.38Å; C263-T266 WeakPolarHBondContact O-CB 3.28Å; C263-T266 WeakPolarHBondContact O-CG2 3.41Å; C263-T266 PolarHBondContact O-N 2.87Å; C263-T266 PolarHBondContact O-OG1 2.89Å; T266-Q268 PolarHBondContact O-N 2.8Å; T266-Q268 PolarHBondContact OG1-O 3.12Å |
| 267 | G | 87.3 | Confident | 89.4 | Confident | 7 Ų | 7 | 76.1 Ų | 76.1 | 7% | 0.072 | 37% | 0.37 | C | S | . | . | S | Bend | trans | 70.3 | -8.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | C238 G243 C263 G265 | C238-G267 WeakPolarHBondContact CB-O 3.27Å; C238-G267 PolarHBondContact N-O 3.47Å; G243-G267 WeakPolarHBondContact CA-O 3.44Å; C263-G267 PolarHBondContact SG-N 3.43Å; G265-G267 VanDerWaalsContact C-N 3.25Å; G265-G267 PolarHBondContact O-N 3.27Å |
| 268 | Q | 89.5 | Confident | 89.5 | Confident | 101 Ų | 101 | 75.3 Ų | 75.3 | 47% | 0.472 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 145.1 | -179.3 | -60 | -174.5 | -5.2 | 0 | 0 | 110.8 | M235 V236 C263 T266 | M235-Q268 HydrophobicContact CE-CB 3.77Å; V236-Q268 CarbonylContact O-C 3.59Å; V236-Q268 WeakPolarHBondContact O-CA 3.44Å; C263-Q268 VanDerWaalsContact CB-O 3.27Å; C263-Q268 WeakPolarHBondContact CB-O 3.45Å; T266-Q268 PolarHBondContact O-N 2.8Å; T266-Q268 PolarHBondContact OG1-O 3.12Å |
| 269 | Y | 87.3 | Confident | 89.2 | Confident | 57 Ų | 57 | 74 Ų | 74 | 22% | 0.224 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 123.6 | 177.5 | 178.5 | -111.2 | 0 | 0 | 0 | 110.1 | V236 R262 K271 | V236-Y269 PolarHBondContact N-O 2.98Å; V236-Y269 PolarHBondContact O-N 2.99Å; R262-Y269 HydrophobicContact CG-CD2 3.76Å; R262-Y269 HydrophobicContact CG-CE2 3.84Å; R262-Y269 VanDerWaalsContact NE-CE2 3.26Å; R262-Y269 PolarHBondContact NH2-OH 2.96Å; Y269-K271 HydrophobicContact CD1-CG 3.68Å; Y269-K271 HydrophobicContact CE1-CB 4.36Å; Y269-K271 HydrophobicContact CE1-CG 3.62Å; Y269-K271 PolarHBondContact O-N 3.4Å |
| 270 | N | 87.1 | Confident | 88.9 | Confident | 36 Ų | 36 | 73.4 Ų | 73.4 | 19% | 0.193 | 37% | 0.369 | C | S | . | . | trans | -86.6 | 97.8 | 176.5 | -167.8 | -8 | 0 | 0 | 0 | 109.8 | K228 M235 T272 P273 | K228-N270 PolarHBondContact O-ND2 3.12Å; M235-N270 HydrophobicContact CE-CB 4.14Å; M235-N270 HydrophobicContact SD-CB 3.66Å; N270-T272 VanDerWaalsContact C-N 3.3Å; N270-T272 PolarHBondContact OD1-N 3.33Å; N270-T272 PolarHBondContact OD1-O 3.01Å; N270-T272 VanDerWaalsContact OD1-O 3.11Å; N270-P273 WeakPolarHBondContact ND2-CA 3.39Å | ||
| 271 | K | 86.6 | Confident | 88.8 | Confident | 136 Ų | 136 | 73.4 Ų | 73.4 | 59% | 0.591 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -66.4 | -33.7 | 177.1 | -72.4 | -176 | 177.5 | -175.7 | 0 | 112.4 | V236 Y269 | V236-K271 HydrophobicContact CG2-CD 4.24Å; Y269-K271 HydrophobicContact CD1-CG 3.68Å; Y269-K271 HydrophobicContact CE1-CB 4.36Å; Y269-K271 HydrophobicContact CE1-CG 3.62Å; Y269-K271 PolarHBondContact O-N 3.4Å |
| 272 | T | 89.4 | Confident | 88.8 | Confident | 49 Ų | 49 | 69.7 Ų | 69.7 | 30% | 0.301 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -134.9 | 79.8 | -171.7 | -44.6 | 0 | 0 | 0 | 0 | 108.5 | T229 E230 Y233 N270 | T229-T272 WeakPolarHBondContact CA-O 3.49Å; E230-T272 HydrophobicContact CB-CG2 3.76Å; E230-T272 HydrophobicContact CG-CG2 4.47Å; E230-T272 PolarHBondContact N-O 2.85Å; Y233-T272 HydrophobicContact CD2-CG2 4.19Å; Y233-T272 HydrophobicContact CE2-CG2 4.33Å; Y233-T272 HydrophobicContact CG-CG2 4.37Å; N270-T272 VanDerWaalsContact C-N 3.3Å; N270-T272 PolarHBondContact OD1-N 3.33Å; N270-T272 PolarHBondContact OD1-O 3.01Å; N270-T272 VanDerWaalsContact OD1-O 3.11Å |
| 273 | P | 90.8 | Very high | 89 | Confident | 59 Ų | 59 | 64.6 Ų | 64.6 | 38% | 0.383 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -59.9 | 145.3 | 177.6 | 26.7 | -33.8 | 0 | 0 | 0 | 110.2 | N270 L275 | N270-P273 WeakPolarHBondContact ND2-CA 3.39Å; P273-L275 PolarHBondContact O-N 3.32Å |
| 274 | C | 91.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 37% | 0.369 | C | S | . | . | trans | -59.9 | 130.2 | 176.5 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | C224 K228 E230 E276 C277 E278 | C224-C274 HydrophobicContact CB-CB 3.83Å; K228-C274 PolarHBondContact O-N 2.97Å; E230-C274 WeakPolarHBondContact OE2-CA 3.41Å; C274-E276 PolarHBondContact O-N 3.02Å; C274-C277 VanDerWaalsContact CB-SG 3.6Å; C274-E278 WeakPolarHBondContact O-CA 2.96Å; C274-E278 PolarHBondContact O-N 2.99Å | ||
| 275 | L | 91.7 | Very high | 89 | Confident | 130 Ų | 130 | 62.6 Ų | 62.6 | 68% | 0.681 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -21.1 | -175.9 | -62 | 173.9 | 0 | 0 | 0 | 113.9 | E230 P273 | E230-L275 PolarHBondContact OE2-N 3.4Å; P273-L275 PolarHBondContact O-N 3.32Å |
| 276 | E | 90.2 | Very high | 89 | Confident | 90 Ų | 90 | 69.8 Ų | 69.8 | 42% | 0.421 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -33.3 | -176.9 | -161.4 | -169.8 | 160 | 0 | 0 | 113 | P222 K223 C274 T283 | P222-E276 WeakPolarHBondContact CD-OE1 3.11Å; P222-E276 WeakPolarHBondContact CG-OE1 3.42Å; P222-E276 WeakPolarHBondContact CG-OE2 3.07Å; K223-E276 HydrophobicContact CB-CB 4.34Å; K223-E276 WeakPolarHBondContact CB-OE2 3.5Å; K223-E276 HydrophobicContact CD-CB 4.16Å; K223-E276 PolarHBondContact N-OE2 3.07Å; C274-E276 PolarHBondContact O-N 3.02Å; E276-T283 HydrophobicContact CG-CG2 4.18Å; E276-T283 WeakPolarHBondContact O-CG2 3.2Å |
| 277 | C | 91.1 | Very high | 89 | Confident | 8 Ų | 8 | 67.8 Ų | 67.8 | 5% | 0.054 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -0.2 | 180 | 73.9 | 0 | 0 | 0 | 0 | 113.6 | C221 C274 G279 T280 G281 N282 T283 | C221-C277 HydrophobicContact CB-CB 3.8Å; C274-C277 VanDerWaalsContact CB-SG 3.6Å; C277-G279 PolarHBondContact O-N 3.46Å; C277-G279 VanDerWaalsContact O-N 3.09Å; C277-T280 WeakPolarHBondContact CB-OG1 3.5Å; C277-T280 WeakPolarHBondContact O-CB 3.36Å; C277-T280 WeakPolarHBondContact O-CG2 3.39Å; C277-T280 PolarHBondContact O-N 3.36Å; C277-T280 PolarHBondContact O-OG1 3.17Å; C277-G281 PolarHBondContact SG-N 2.63Å; C277-N282 WeakPolarHBondContact CB-O 3.26Å; C277-T283 HydrophobicContact CB-CG2 3.57Å |
| 278 | E | 89.8 | Confident | 89.1 | Confident | 167 Ų | 167 | 72.1 Ų | 72.1 | 78% | 0.78 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 32.9 | -178 | -57.9 | -178.3 | 173.9 | 0 | 0 | 113.1 | C274 | C274-E278 WeakPolarHBondContact O-CA 2.96Å; C274-E278 PolarHBondContact O-N 2.99Å |
| 279 | G | 85.9 | Confident | 89 | Confident | 19 Ų | 19 | 68.4 Ų | 68.4 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 4.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | K228 C277 | K228-G279 WeakPolarHBondContact CB-O 3.34Å; K228-G279 WeakPolarHBondContact CD-O 3.29Å; K228-G279 WeakPolarHBondContact CG-O 3.32Å; K228-G279 WeakPolarHBondContact O-CA 3.43Å; C277-G279 PolarHBondContact O-N 3.46Å; C277-G279 VanDerWaalsContact O-N 3.09Å |
| 280 | T | 87.2 | Confident | 89.1 | Confident | 87 Ų | 87 | 68.5 Ų | 68.5 | 53% | 0.534 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -73.1 | -32.4 | 175.5 | 61.5 | 0 | 0 | 0 | 0 | 112.6 | K228 C277 N282 | K228-T280 WeakPolarHBondContact CE-O 3.42Å; C277-T280 WeakPolarHBondContact CB-OG1 3.5Å; C277-T280 WeakPolarHBondContact O-CB 3.36Å; C277-T280 WeakPolarHBondContact O-CG2 3.39Å; C277-T280 PolarHBondContact O-N 3.36Å; C277-T280 PolarHBondContact O-OG1 3.17Å; T280-N282 PolarHBondContact OG1-O 2.93Å |
| 281 | G | 88 | Confident | 89.2 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | S | Bend | trans | 91.8 | -11.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | C221 G226 C277 | C221-G281 WeakPolarHBondContact CB-O 3.43Å; C221-G281 PolarHBondContact N-O 3.26Å; G226-G281 WeakPolarHBondContact CA-O 3.47Å; C277-G281 PolarHBondContact SG-N 2.63Å |
| 282 | N | 91.2 | Very high | 89.2 | Confident | 78 Ų | 78 | 64.2 Ų | 64.2 | 42% | 0.417 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 150.3 | 179.5 | -58.1 | -29.5 | 0 | 0 | 0 | 110.2 | V218 D219 C277 T280 | V218-N282 HydrophobicContact CG1-CB 3.54Å; D219-N282 CarbonylContact O-C 3.59Å; D219-N282 WeakPolarHBondContact O-CA 3.49Å; D219-N282 WeakPolarHBondContact O-CB 3.26Å; C277-N282 WeakPolarHBondContact CB-O 3.26Å; T280-N282 PolarHBondContact OG1-O 2.93Å |
| 283 | T | 91.3 | Very high | 89.1 | Confident | 17 Ų | 17 | 62.8 Ų | 62.8 | 10% | 0.104 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 150.9 | 172.8 | 57.2 | 0 | 0 | 0 | 0 | 110 | D219 C221 P222 E276 C277 Q285 | D219-T283 PolarHBondContact N-O 3.35Å; D219-T283 PolarHBondContact O-N 3.37Å; C221-T283 HydrophobicContact CB-CG2 3.91Å; P222-T283 WeakPolarHBondContact CD-OG1 3.47Å; E276-T283 HydrophobicContact CG-CG2 4.18Å; E276-T283 WeakPolarHBondContact O-CG2 3.2Å; C277-T283 HydrophobicContact CB-CG2 3.57Å; T283-Q285 PolarHBondContact O-N 3.08Å |
| 284 | V | 90.7 | Very high | 88.9 | Confident | 93 Ų | 93 | 62.6 Ų | 62.6 | 56% | 0.564 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 110 | 172.5 | -178.9 | 0 | 0 | 0 | 0 | 107.6 | N216 V218 | N216-V284 HydrophobicContact CB-CG1 3.86Å; V218-V284 HydrophobicContact CG2-CG2 3.69Å |
| 285 | Q | 86.3 | Confident | 88.7 | Confident | 43 Ų | 43 | 63.8 Ų | 63.8 | 20% | 0.201 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 133.6 | 178 | -66 | -179 | -0 | 0 | 0 | 110.1 | V217 T220 P222 T283 K287 | V217-Q285 PolarHBondContact N-O 3.17Å; V217-Q285 PolarHBondContact O-N 3.5Å; T220-Q285 PolarHBondContact O-NE2 2.74Å; P222-Q285 VanDerWaalsContact CD-NE2 3.33Å; T283-Q285 PolarHBondContact O-N 3.08Å; Q285-K287 PolarHBondContact O-N 3.41Å |
| 286 | R | 89.5 | Confident | 88.4 | Confident | 188 Ų | 188 | 57.6 Ų | 57.6 | 71% | 0.709 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 113.3 | 169.4 | -178.5 | 177.4 | -77.5 | -179.4 | -4.2 | 108.8 | ||
| 287 | K | 86.8 | Confident | 88.3 | Confident | 58 Ų | 58 | 53.6 Ų | 53.6 | 25% | 0.252 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 134.3 | 176.3 | -67.5 | -170.2 | 177.2 | -171.1 | 0 | 110.6 | S214 V215 D219 Q285 V307 | S214-K287 WeakPolarHBondContact CA-O 3.36Å; V215-K287 PolarHBondContact N-O 2.92Å; V215-K287 PolarHBondContact O-N 2.85Å; D219-K287 WeakPolarHBondContact OD2-CE 3.46Å; D219-K287 IonicContact OD2-NZ 3.14Å; D219-K287 PolarHBondContact OD2-NZ 3.45Å; Q285-K287 PolarHBondContact O-N 3.41Å; K287-V307 HydrophobicContact CB-CG1 4.45Å; K287-V307 HydrophobicContact CD-CG1 4.31Å |
| 288 | T | 89.7 | Confident | 88 | Confident | 97 Ų | 97 | 58 Ų | 58 | 60% | 0.595 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 118.5 | 171.4 | -53.6 | 0 | 0 | 0 | 0 | 108.8 | N212 I213 | N212-T288 HydrophobicContact CB-CG2 3.85Å; I213-T288 CarbonylContact O-C 3.37Å; I213-T288 WeakPolarHBondContact O-CA 3.46Å |
| 289 | V | 88 | Confident | 87.9 | Confident | 24 Ų | 24 | 55.2 Ų | 55.2 | 15% | 0.145 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.5 | -178.2 | -177 | 0 | 0 | 0 | 0 | 108.9 | N212 I213 V291 I305 V307 | N212-V289 WeakPolarHBondContact CA-O 3.5Å; I213-V289 HydrophobicContact CG1-CB 4.35Å; I213-V289 PolarHBondContact N-O 2.77Å; I213-V289 PolarHBondContact O-N 2.81Å; V289-V291 HydrophobicContact CG1-CG2 4.1Å; V289-V291 PolarHBondContact O-N 3.09Å; V289-I305 HydrophobicContact CG1-CG2 4.31Å; V289-V307 HydrophobicContact CB-CG2 4.5Å; V289-V307 HydrophobicContact CG1-CG2 4.18Å; V289-V307 HydrophobicContact CG2-CB 4.27Å; V289-V307 HydrophobicContact CG2-CG1 3.5Å; V289-V307 VanDerWaalsContact CG2-CG1 3.5Å; V289-V307 HydrophobicContact CG2-CG2 3.73Å |
| 290 | A | 89 | Confident | 87.9 | Confident | 58 Ų | 58 | 56.3 Ų | 56.3 | 48% | 0.479 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 109.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | T210 N212 | T210-A290 HydrophobicContact CG2-CB 4Å; N212-A290 WeakPolarHBondContact OD1-CA 3.36Å; N212-A290 WeakPolarHBondContact OD1-CB 3.42Å |
| 291 | V | 88.4 | Confident | 87.9 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 114.5 | -179.4 | 175.3 | 0 | 0 | 0 | 0 | 109.3 | R211 I213 V289 V293 L303 I305 F316 | R211-V291 PolarHBondContact N-O 3.44Å; R211-V291 PolarHBondContact O-N 3.04Å; I213-V291 HydrophobicContact CD1-CG2 3.51Å; I213-V291 HydrophobicContact CG1-CG2 3.66Å; V289-V291 HydrophobicContact CG1-CG2 4.1Å; V289-V291 PolarHBondContact O-N 3.09Å; V291-V293 PolarHBondContact O-N 2.87Å; V291-L303 HydrophobicContact CG1-CD2 4.06Å; V291-I305 HydrophobicContact CB-CD1 3.84Å; V291-I305 HydrophobicContact CG1-CD1 3.31Å; V291-I305 HydrophobicContact CG2-CD1 3.28Å; V291-F316 HydrophobicContact CG1-CE1 4.5Å; V291-F316 HydrophobicContact CG1-CZ 3.79Å |
| 292 | P | 86.9 | Confident | 87.9 | Confident | 81 Ų | 81 | 58.3 Ų | 58.3 | 53% | 0.526 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 121.7 | 172.9 | 28.9 | -31.7 | 0 | 0 | 0 | 109 | P294 | P292-P294 WeakPolarHBondContact O-CD 3.48Å |
| 293 | V | 87.5 | Confident | 87.7 | Confident | 19 Ų | 19 | 57.3 Ų | 57.3 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 112.3 | 173.8 | -172.7 | 0 | 0 | 0 | 0 | 108.4 | G208 V209 R211 V291 I297 F316 | G208-V293 VanDerWaalsContact CA-O 3.28Å; G208-V293 WeakPolarHBondContact CA-O 3.44Å; V209-V293 PolarHBondContact N-O 3.5Å; V209-V293 WeakPolarHBondContact O-CB 3.12Å; V209-V293 VanDerWaalsContact O-CG2 3.29Å; V209-V293 WeakPolarHBondContact O-CG2 3.44Å; V209-V293 PolarHBondContact O-N 3.13Å; R211-V293 HydrophobicContact CB-CG2 4.39Å; R211-V293 HydrophobicContact CG-CG2 4.13Å; V291-V293 PolarHBondContact O-N 2.87Å; V293-I297 HydrophobicContact CG1-CB 4.36Å; V293-I297 HydrophobicContact CG1-CD1 4.21Å; V293-I297 HydrophobicContact CG1-CG2 3.74Å; V293-F316 HydrophobicContact CB-CE1 4.32Å; V293-F316 HydrophobicContact CG1-CD1 4.28Å; V293-F316 HydrophobicContact CG1-CE1 4.04Å; V293-F316 HydrophobicContact CG1-CZ 4.45Å; V293-F316 HydrophobicContact CG2-CD1 4.34Å; V293-F316 HydrophobicContact CG2-CE1 3.48Å; V293-F316 VanDerWaalsContact CG2-CE1 3.48Å; V293-F316 HydrophobicContact CG2-CZ 3.95Å |
| 294 | P | 86.9 | Confident | 87.6 | Confident | 54 Ų | 54 | 63.6 Ų | 63.6 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | trans | -56.3 | 139.9 | 175.9 | -24.2 | 33.7 | 0 | 0 | 0 | 111.8 | P292 G296 I297 | P292-P294 WeakPolarHBondContact O-CD 3.48Å; P294-G296 PolarHBondContact O-N 3.31Å; P294-I297 PolarHBondContact O-N 2.79Å | ||
| 295 | A | 86.6 | Confident | 87.5 | Confident | 25 Ų | 25 | 60.5 Ų | 60.5 | 21% | 0.207 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 133.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | K379 | A295-K379 HydrophobicContact CB-CB 4.33Å; A295-K379 HydrophobicContact CB-CD 4.12Å |
| 296 | G | 85.4 | Confident | 87.6 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 10.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | P294 R326 K379 V381 | P294-G296 PolarHBondContact O-N 3.31Å; G296-R326 PolarHBondContact O-NH1 2.97Å; G296-R326 PolarHBondContact O-NH2 3.42Å; G296-K379 WeakPolarHBondContact CA-O 3.4Å; G296-V381 VanDerWaalsContact C-CG2 3.43Å; G296-V381 WeakPolarHBondContact O-CG2 3.46Å |
| 297 | I | 87.6 | Confident | 87.4 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -48 | 138.7 | 177.5 | -167.7 | 151.7 | 0 | 0 | 0 | 113.1 | V293 P294 Q301 F316 R326 | V293-I297 HydrophobicContact CG1-CB 4.36Å; V293-I297 HydrophobicContact CG1-CD1 4.21Å; V293-I297 HydrophobicContact CG1-CG2 3.74Å; P294-I297 PolarHBondContact O-N 2.79Å; I297-Q301 HydrophobicContact CD1-CB 4.38Å; I297-Q301 HydrophobicContact CG1-CB 3.94Å; I297-Q301 HydrophobicContact CG1-CG 4.31Å; I297-F316 HydrophobicContact CD1-CB 3.93Å; I297-F316 HydrophobicContact CD1-CD1 4.22Å; I297-F316 HydrophobicContact CD1-CD2 3.13Å; I297-F316 HydrophobicContact CD1-CE2 3.55Å; I297-F316 HydrophobicContact CD1-CG 3.48Å; I297-F316 VanDerWaalsContact CD1-CG 3.48Å; I297-F316 HydrophobicContact CD1-CZ 4.26Å; I297-F316 HydrophobicContact CG1-CB 4.33Å; I297-F316 HydrophobicContact CG1-CD2 4.3Å; I297-F316 HydrophobicContact CG1-CG 4.38Å; I297-R326 PolarHBondContact O-NH1 2.96Å |
| 298 | E | 85.5 | Confident | 87.2 | Confident | 100 Ų | 100 | 56.5 Ų | 56.5 | 47% | 0.467 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -85.3 | 158 | 179.4 | -68.6 | 179.6 | -177.3 | 0 | 0 | 112.2 | Q301 | E298-Q301 HydrophobicContact CB-CB 4.43Å; E298-Q301 VanDerWaalsContact N-OE1 3.16Å; E298-Q301 WeakPolarHBondContact O-CB 3.48Å; E298-Q301 PolarHBondContact O-N 2.95Å |
| 299 | D | 86.8 | Confident | 86.8 | Confident | 109 Ų | 109 | 60.7 Ų | 60.7 | 58% | 0.583 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 131.5 | 174.2 | -172.5 | 45.9 | 0 | 0 | 0 | 110.3 | Q301 K317 V318 | D299-Q301 VanDerWaalsContact C-N 3.29Å; D299-Q301 PolarHBondContact O-N 3.44Å; D299-K317 VanDerWaalsContact OD1-CA 3.25Å; D299-K317 WeakPolarHBondContact OD1-CA 3.37Å; D299-V318 HydrophobicContact CB-CB 4.18Å; D299-V318 HydrophobicContact CB-CG2 4.28Å; D299-V318 PolarHBondContact OD1-N 2.68Å |
| 300 | G | 87.5 | Confident | 86.5 | Confident | 41 Ų | 41 | 62.2 Ų | 62.2 | 42% | 0.423 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 2.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | T302 F316 | G300-T302 PolarHBondContact O-N 3.46Å; G300-F316 VanDerWaalsContact CA-O 3.27Å; G300-F316 WeakPolarHBondContact CA-O 3.4Å; G300-F316 PolarHBondContact N-O 2.7Å |
| 301 | Q | 86.3 | Confident | 86.4 | Confident | 59 Ų | 59 | 63.6 Ų | 63.6 | 28% | 0.276 | 34% | 0.342 | S | S | . | . | trans | -68.4 | 131.8 | 178 | -171.5 | 170.2 | -3.9 | 0 | 0 | 110.9 | I297 E298 D299 F316 | I297-Q301 HydrophobicContact CD1-CB 4.38Å; I297-Q301 HydrophobicContact CG1-CB 3.94Å; I297-Q301 HydrophobicContact CG1-CG 4.31Å; E298-Q301 HydrophobicContact CB-CB 4.43Å; E298-Q301 VanDerWaalsContact N-OE1 3.16Å; E298-Q301 WeakPolarHBondContact O-CB 3.48Å; E298-Q301 PolarHBondContact O-N 2.95Å; D299-Q301 VanDerWaalsContact C-N 3.29Å; D299-Q301 PolarHBondContact O-N 3.44Å; Q301-F316 WeakPolarHBondContact O-CD2 3.15Å; Q301-F316 PolarHBondContact O-N 3.28Å | ||
| 302 | T | 88.8 | Confident | 86.3 | Confident | 71 Ų | 71 | 64.8 Ų | 64.8 | 44% | 0.436 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.4 | 179.5 | -53.2 | 0 | 0 | 0 | 0 | 111.5 | G300 F313 V314 T315 | G300-T302 PolarHBondContact O-N 3.46Å; T302-F313 HydrophobicContact CG2-CB 3.76Å; T302-F313 HydrophobicContact CG2-CD1 4.12Å; T302-F313 HydrophobicContact CG2-CG 4.44Å; T302-V314 CarbonylContact C-O 3.54Å; T302-V314 WeakPolarHBondContact CA-O 3.21Å; T302-T315 PolarHBondContact OG1-OG1 2.93Å |
| 303 | L | 86.6 | Confident | 86.5 | Confident | 57 Ų | 57 | 67.3 Ų | 67.3 | 30% | 0.298 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 132.5 | 172.1 | -175.2 | 68.2 | 0 | 0 | 0 | 110.1 | V291 I305 V314 F316 | V291-L303 HydrophobicContact CG1-CD2 4.06Å; L303-I305 HydrophobicContact CD2-CD1 3.87Å; L303-I305 HydrophobicContact CD2-CG1 4Å; L303-I305 HydrophobicContact CG-CD1 4.28Å; L303-I305 HydrophobicContact CG-CG1 3.94Å; L303-V314 PolarHBondContact N-O 3.35Å; L303-V314 PolarHBondContact O-N 3.23Å; L303-F316 HydrophobicContact CB-CE2 3.71Å; L303-F316 HydrophobicContact CD2-CE2 4.3Å; L303-F316 HydrophobicContact CD2-CZ 4.49Å |
| 304 | R | 89.8 | Confident | 86.5 | Confident | 149 Ų | 149 | 67.4 Ų | 67.4 | 56% | 0.562 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 126.1 | 174.4 | -172.8 | 177.1 | 72.8 | 149.1 | -5.1 | 110.1 | E311 F313 | R304-E311 WeakPolarHBondContact CD-OE2 3.23Å; R304-E311 IonicContact CZ-OE1 2.66Å; R304-E311 IonicContact CZ-OE2 3.63Å; R304-E311 IonicContact NE-OE2 3.42Å; R304-E311 IonicContact NH1-OE1 3.65Å; R304-E311 PolarHBondContact NH1-OE1 2.92Å; R304-E311 IonicContact NH1-OE2 3.05Å; R304-E311 PolarHBondContact NH1-OE2 2.99Å; R304-F313 HydrophobicContact CB-CD1 4.15Å; R304-F313 HydrophobicContact CB-CE1 4.05Å; R304-F313 HydrophobicContact CG-CD1 4.19Å; R304-F313 HydrophobicContact CG-CE1 3.8Å; R304-F313 HydrophobicContact CG-CZ 4.23Å |
| 305 | I | 88 | Confident | 86.6 | Confident | 28 Ų | 28 | 68.4 Ų | 68.4 | 14% | 0.144 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 136.3 | -175.6 | -48.5 | 179.5 | 0 | 0 | 0 | 109 | V289 V291 L303 V307 V312 V314 | V289-I305 HydrophobicContact CG1-CG2 4.31Å; V291-I305 HydrophobicContact CB-CD1 3.84Å; V291-I305 HydrophobicContact CG1-CD1 3.31Å; V291-I305 HydrophobicContact CG2-CD1 3.28Å; L303-I305 HydrophobicContact CD2-CD1 3.87Å; L303-I305 HydrophobicContact CD2-CG1 4Å; L303-I305 HydrophobicContact CG-CD1 4.28Å; L303-I305 HydrophobicContact CG-CG1 3.94Å; I305-V307 HydrophobicContact CG2-CG2 4.46Å; I305-V312 PolarHBondContact N-O 3.1Å; I305-V312 PolarHBondContact O-N 3.33Å; I305-V314 HydrophobicContact CD1-CB 4.27Å; I305-V314 HydrophobicContact CD1-CG2 3.71Å; I305-V314 HydrophobicContact CG1-CG2 4.35Å |
| 306 | Q | 87.9 | Confident | 86.6 | Confident | 140 Ų | 140 | 68.6 Ų | 68.6 | 65% | 0.654 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 126.2 | 174 | -68 | -173.4 | -8 | 0 | 0 | 110.1 | E311 | Q306-E311 HydrophobicContact CG-CG 4.38Å; Q306-E311 PolarHBondContact NE2-OE1 3.47Å |
| 307 | V | 85 | Confident | 86.7 | Confident | 8 Ų | 8 | 76.6 Ų | 76.6 | 5% | 0.048 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 94.1 | 177.9 | -173.2 | 0 | 0 | 0 | 0 | 108.2 | V217 K287 V289 I305 K309 K310 V312 | V217-V307 HydrophobicContact CG2-CB 4.25Å; V217-V307 HydrophobicContact CG2-CG1 3.8Å; K287-V307 HydrophobicContact CB-CG1 4.45Å; K287-V307 HydrophobicContact CD-CG1 4.31Å; V289-V307 HydrophobicContact CB-CG2 4.5Å; V289-V307 HydrophobicContact CG1-CG2 4.18Å; V289-V307 HydrophobicContact CG2-CB 4.27Å; V289-V307 HydrophobicContact CG2-CG1 3.5Å; V289-V307 VanDerWaalsContact CG2-CG1 3.5Å; V289-V307 HydrophobicContact CG2-CG2 3.73Å; I305-V307 HydrophobicContact CG2-CG2 4.46Å; V307-K309 PolarHBondContact O-N 3.39Å; V307-K310 PolarHBondContact N-O 2.87Å; V307-K310 PolarHBondContact O-N 2.87Å; V307-V312 HydrophobicContact CB-CG2 3.95Å; V307-V312 HydrophobicContact CG2-CB 4.09Å; V307-V312 HydrophobicContact CG2-CG2 3.64Å |
| 308 | G | 82.2 | Confident | 86.5 | Confident | 57 Ų | 57 | 78.7 Ų | 78.7 | 59% | 0.588 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | -122.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 309 | K | 81.7 | Confident | 86.4 | Confident | 185 Ų | 185 | 76.3 Ų | 76.3 | 80% | 0.804 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -3 | 178.2 | -63.8 | 179.1 | -178.4 | 173.1 | 0 | 113.9 | V307 | V307-K309 PolarHBondContact O-N 3.39Š|
| 310 | K | 81.8 | Confident | 86.3 | Confident | 56 Ų | 56 | 80.8 Ų | 80.8 | 24% | 0.243 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 147.5 | -178.7 | -66.1 | -161.4 | 175.8 | -163.8 | 0 | 110.9 | N188 D189 V217 V218 V307 | N188-K310 PolarHBondContact O-NZ 3.35Å; D189-K310 IonicContact OD2-NZ 3.41Å; D189-K310 PolarHBondContact OD2-NZ 2.66Å; V217-K310 HydrophobicContact CG1-CB 3.94Å; V217-K310 HydrophobicContact CG1-CD 3.85Å; V217-K310 HydrophobicContact CG1-CG 4.04Å; V218-K310 WeakPolarHBondContact O-CE 3.42Å; V307-K310 PolarHBondContact N-O 2.87Å; V307-K310 PolarHBondContact O-N 2.87Å |
| 311 | E | 87.9 | Confident | 86.2 | Confident | 87 Ų | 87 | 80.3 Ų | 80.3 | 41% | 0.407 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 137.3 | 169.1 | -54.4 | -161.6 | 142.4 | 0 | 0 | 109.4 | R304 Q306 | R304-E311 WeakPolarHBondContact CD-OE2 3.23Å; R304-E311 IonicContact CZ-OE1 2.66Å; R304-E311 IonicContact CZ-OE2 3.63Å; R304-E311 IonicContact NE-OE2 3.42Å; R304-E311 IonicContact NH1-OE1 3.65Å; R304-E311 PolarHBondContact NH1-OE1 2.92Å; R304-E311 IonicContact NH1-OE2 3.05Å; R304-E311 PolarHBondContact NH1-OE2 2.99Å; Q306-E311 HydrophobicContact CG-CG 4.38Å; Q306-E311 PolarHBondContact NE2-OE1 3.47Å |
| 312 | V | 86.5 | Confident | 86.2 | Confident | 27 Ų | 27 | 83.2 Ų | 83.2 | 16% | 0.164 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 131.2 | 178 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | V215 V217 I305 V307 V314 | V215-V312 HydrophobicContact CG1-CG1 4.19Å; V215-V312 HydrophobicContact CG1-CG2 4.27Å; V217-V312 HydrophobicContact CG2-CG2 4.44Å; I305-V312 PolarHBondContact N-O 3.1Å; I305-V312 PolarHBondContact O-N 3.33Å; V307-V312 HydrophobicContact CB-CG2 3.95Å; V307-V312 HydrophobicContact CG2-CB 4.09Å; V307-V312 HydrophobicContact CG2-CG2 3.64Å; V312-V314 HydrophobicContact CG1-CG2 4.18Å |
| 313 | F | 90.1 | Very high | 86.1 | Confident | 134 Ų | 134 | 82.8 Ų | 82.8 | 59% | 0.588 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 115 | 175 | -65.1 | -85.6 | 0 | 0 | 0 | 109.2 | T302 R304 | T302-F313 HydrophobicContact CG2-CB 3.76Å; T302-F313 HydrophobicContact CG2-CD1 4.12Å; T302-F313 HydrophobicContact CG2-CG 4.44Å; R304-F313 HydrophobicContact CB-CD1 4.15Å; R304-F313 HydrophobicContact CB-CE1 4.05Å; R304-F313 HydrophobicContact CG-CD1 4.19Å; R304-F313 HydrophobicContact CG-CE1 3.8Å; R304-F313 HydrophobicContact CG-CZ 4.23Å |
| 314 | V | 87.5 | Confident | 86.4 | Confident | 22 Ų | 22 | 81.6 Ų | 81.6 | 13% | 0.133 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 104.9 | -179.9 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | I213 T302 L303 I305 V312 F316 | I213-V314 HydrophobicContact CD1-CG1 4.36Å; I213-V314 HydrophobicContact CD1-CG2 3.8Å; T302-V314 CarbonylContact C-O 3.54Å; T302-V314 WeakPolarHBondContact CA-O 3.21Å; L303-V314 PolarHBondContact N-O 3.35Å; L303-V314 PolarHBondContact O-N 3.23Å; I305-V314 HydrophobicContact CD1-CB 4.27Å; I305-V314 HydrophobicContact CD1-CG2 3.71Å; I305-V314 HydrophobicContact CG1-CG2 4.35Å; V312-V314 HydrophobicContact CG1-CG2 4.18Å; V314-F316 HydrophobicContact CG1-CE1 4.26Å; V314-F316 HydrophobicContact CG1-CE2 4.19Å; V314-F316 HydrophobicContact CG1-CZ 3.99Å |
| 315 | T | 89.9 | Confident | 86.5 | Confident | 74 Ų | 74 | 80.4 Ų | 80.4 | 45% | 0.454 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 121.7 | 174.1 | -57.2 | 0 | 0 | 0 | 0 | 110.1 | T302 | T302-T315 PolarHBondContact OG1-OG1 2.93Å |
| 316 | F | 86.9 | Confident | 86.6 | Confident | 30 Ų | 30 | 83.4 Ų | 83.4 | 13% | 0.132 | 42% | 0.422 | C | S | . | . | trans | -84.3 | 136.6 | 178.4 | -66.4 | -84.6 | 0 | 0 | 0 | 110.6 | V291 V293 I297 G300 Q301 L303 V314 | V291-F316 HydrophobicContact CG1-CE1 4.5Å; V291-F316 HydrophobicContact CG1-CZ 3.79Å; V293-F316 HydrophobicContact CB-CE1 4.32Å; V293-F316 HydrophobicContact CG1-CD1 4.28Å; V293-F316 HydrophobicContact CG1-CE1 4.04Å; V293-F316 HydrophobicContact CG1-CZ 4.45Å; V293-F316 HydrophobicContact CG2-CD1 4.34Å; V293-F316 HydrophobicContact CG2-CE1 3.48Å; V293-F316 VanDerWaalsContact CG2-CE1 3.48Å; V293-F316 HydrophobicContact CG2-CZ 3.95Å; I297-F316 HydrophobicContact CD1-CB 3.93Å; I297-F316 HydrophobicContact CD1-CD1 4.22Å; I297-F316 HydrophobicContact CD1-CD2 3.13Å; I297-F316 HydrophobicContact CD1-CE2 3.55Å; I297-F316 HydrophobicContact CD1-CG 3.48Å; I297-F316 VanDerWaalsContact CD1-CG 3.48Å; I297-F316 HydrophobicContact CD1-CZ 4.26Å; I297-F316 HydrophobicContact CG1-CB 4.33Å; I297-F316 HydrophobicContact CG1-CD2 4.3Å; I297-F316 HydrophobicContact CG1-CG 4.38Å; G300-F316 VanDerWaalsContact CA-O 3.27Å; G300-F316 WeakPolarHBondContact CA-O 3.4Å; G300-F316 PolarHBondContact N-O 2.7Å; Q301-F316 WeakPolarHBondContact O-CD2 3.15Å; Q301-F316 PolarHBondContact O-N 3.28Å; L303-F316 HydrophobicContact CB-CE2 3.71Å; L303-F316 HydrophobicContact CD2-CE2 4.3Å; L303-F316 HydrophobicContact CD2-CZ 4.49Å; V314-F316 HydrophobicContact CG1-CE1 4.26Å; V314-F316 HydrophobicContact CG1-CE2 4.19Å; V314-F316 HydrophobicContact CG1-CZ 3.99Å | ||
| 317 | K | 86.8 | Confident | 86.7 | Confident | 168 Ų | 168 | 81.8 Ų | 81.8 | 73% | 0.73 | 42% | 0.419 | S | S | * | . | trans | -118 | 126.8 | 169.6 | -70.2 | -173.8 | 176.2 | 178.9 | 0 | 109 | D299 | D299-K317 VanDerWaalsContact OD1-CA 3.25Å; D299-K317 WeakPolarHBondContact OD1-CA 3.37Å | ||
| 318 | V | 83.8 | Confident | 86.9 | Confident | 50 Ų | 50 | 83.3 Ų | 83.3 | 30% | 0.303 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -97.7 | 118.4 | -178.4 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | D299 | D299-V318 HydrophobicContact CB-CB 4.18Å; D299-V318 HydrophobicContact CB-CG2 4.28Å; D299-V318 PolarHBondContact OD1-N 2.68Å |
| 319 | S | 82.6 | Confident | 87.3 | Confident | 51 Ų | 51 | 81.6 Ų | 81.6 | 36% | 0.357 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 145.3 | 175.6 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | ||
| 320 | K | 85.7 | Confident | 87.9 | Confident | 203 Ų | 203 | 75 Ų | 75 | 88% | 0.883 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 124.7 | 178.5 | -69.3 | -176.7 | 179.1 | -179.6 | 0 | 111.4 | ||
| 321 | S | 84.6 | Confident | 88.4 | Confident | 31 Ų | 31 | 72.5 Ų | 72.5 | 22% | 0.217 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 143.8 | 176.8 | -166.1 | 0 | 0 | 0 | 0 | 114.9 | E202 T323 F324 | E202-S321 WeakPolarHBondContact OE1-CA 3.25Å; E202-S321 PolarHBondContact OE1-N 3.13Å; E202-S321 WeakPolarHBondContact OE2-CA 3.42Å; E202-S321 WeakPolarHBondContact OE2-CB 3.48Å; E202-S321 PolarHBondContact OE2-OG 2.83Å; S321-T323 VanDerWaalsContact C-N 3.33Å; S321-T323 PolarHBondContact OG-N 2.95Å; S321-F324 VanDerWaalsContact CB-O 3.31Å; S321-F324 WeakPolarHBondContact CB-O 3.41Å; S321-F324 PolarHBondContact OG-N 2.99Å |
| 322 | S | 86.1 | Confident | 88.8 | Confident | 119 Ų | 119 | 69.6 Ų | 69.6 | 83% | 0.832 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -72.3 | -28 | 170.4 | 61.7 | 0 | 0 | 0 | 0 | 112.5 | ||
| 323 | T | 87.6 | Confident | 89.2 | Confident | 63 Ų | 63 | 68.5 Ų | 68.5 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -102.8 | -35 | -174.4 | -53.1 | 0 | 0 | 0 | 0 | 112.1 | S321 | S321-T323 VanDerWaalsContact C-N 3.33Å; S321-T323 PolarHBondContact OG-N 2.95Å |
| 324 | F | 92.3 | Very high | 89.4 | Confident | 32 Ų | 32 | 66.5 Ų | 66.5 | 14% | 0.14 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 136.6 | -172.1 | -58.9 | -69.8 | 0 | 0 | 0 | 112 | L203 S321 V331 H332 K351 V353 | L203-F324 HydrophobicContact CD2-CE2 4.35Å; S321-F324 VanDerWaalsContact CB-O 3.31Å; S321-F324 WeakPolarHBondContact CB-O 3.41Å; S321-F324 PolarHBondContact OG-N 2.99Å; F324-V331 HydrophobicContact CB-CG1 3.9Å; F324-V331 HydrophobicContact CD1-CG1 3.59Å; F324-V331 HydrophobicContact CE1-CG1 4.49Å; F324-V331 HydrophobicContact CG-CG1 4.07Å; F324-H332 CarbonylContact C-O 3.59Å; F324-H332 WeakPolarHBondContact CA-O 3.5Å; F324-K351 VanDerWaalsContact CE1-O 3.29Å; F324-K351 WeakPolarHBondContact CE1-O 3.35Å; F324-K351 HydrophobicContact CZ-CB 4.21Å; F324-K351 VanDerWaalsContact CZ-O 3.32Å; F324-K351 WeakPolarHBondContact CZ-O 3.43Å; F324-V353 HydrophobicContact CE1-CG2 4.46Å |
| 325 | R | 91.9 | Very high | 89.7 | Confident | 123 Ų | 123 | 66.2 Ų | 66.2 | 46% | 0.464 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 125.3 | 166.4 | -64.8 | -175.9 | -67.3 | -92.4 | 0.9 | 107.8 | H332 D334 | R325-H332 HydrophobicContact CB-CB 4.2Å; R325-H332 PolarHBondContact N-O 3.42Å; R325-H332 PolarHBondContact O-N 2.95Å; R325-D334 IonicContact CZ-OD1 3.88Å; R325-D334 IonicContact CZ-OD2 2.96Å; R325-D334 IonicContact NH1-OD1 3.86Å; R325-D334 IonicContact NH1-OD2 3.75Å; R325-D334 PolarHBondContact NH1-OD2 3.43Å; R325-D334 VanDerWaalsContact NH2-CG 3.33Å; R325-D334 IonicContact NH2-OD1 2.93Å; R325-D334 PolarHBondContact NH2-OD1 3.45Å; R325-D334 IonicContact NH2-OD2 2.72Å; R325-D334 PolarHBondContact NH2-OD2 3.34Å |
| 326 | R | 89.5 | Confident | 90 | Very high | 91 Ų | 91 | 66.9 Ų | 66.9 | 34% | 0.343 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 133.7 | -179.8 | -178.7 | 175.7 | 176.6 | 151 | 0.7 | 110 | G296 I297 G328 L378 | G296-R326 PolarHBondContact O-NH1 2.97Å; G296-R326 PolarHBondContact O-NH2 3.42Å; I297-R326 PolarHBondContact O-NH1 2.96Å; R326-G328 VanDerWaalsContact CZ-O 3.28Å; R326-G328 PolarHBondContact NE-O 3.06Å; R326-G328 PolarHBondContact NH2-O 2.99Å; R326-G328 VanDerWaalsContact NH2-O 3.07Å; R326-L378 HydrophobicContact CG-CD1 3.81Å |
| 327 | D | 90.6 | Very high | 90.4 | Very high | 107 Ų | 107 | 65.5 Ų | 65.5 | 57% | 0.572 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 98.7 | 169.1 | -171.4 | 7.2 | 0 | 0 | 0 | 108.7 | A329 D330 | D327-A329 PolarHBondContact O-N 3.35Å; D327-A329 VanDerWaalsContact O-N 3.16Å; D327-D330 PolarHBondContact N-O 3.08Å; D327-D330 WeakPolarHBondContact O-CA 3.43Å; D327-D330 WeakPolarHBondContact O-CB 3.41Å; D327-D330 PolarHBondContact O-N 3.07Å; D327-D330 VanDerWaalsContact O-O 3.12Å |
| 328 | G | 89.6 | Confident | 90.8 | Very high | 39 Ų | 39 | 59.8 Ų | 59.8 | 40% | 0.402 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -118 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R326 | R326-G328 VanDerWaalsContact CZ-O 3.28Å; R326-G328 PolarHBondContact NE-O 3.06Å; R326-G328 PolarHBondContact NH2-O 2.99Å; R326-G328 VanDerWaalsContact NH2-O 3.07Å |
| 329 | A | 90.4 | Very high | 91.3 | Very high | 22 Ų | 22 | 60.5 Ų | 60.5 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -13.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D327 L378 K380 | D327-A329 PolarHBondContact O-N 3.35Å; D327-A329 VanDerWaalsContact O-N 3.16Å; A329-L378 WeakPolarHBondContact O-CB 3.12Å; A329-L378 PolarHBondContact O-N 3.36Å; A329-K380 HydrophobicContact CB-CD 4.47Å; A329-K380 HydrophobicContact CB-CG 3.66Å |
| 330 | D | 93.5 | Very high | 91.9 | Very high | 47 Ų | 47 | 61.9 Ų | 61.9 | 25% | 0.251 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 151.9 | -178.3 | -60.2 | -22.2 | 0 | 0 | 0 | 110.1 | D327 G387 D388 Y390 | D327-D330 PolarHBondContact N-O 3.08Å; D327-D330 WeakPolarHBondContact O-CA 3.43Å; D327-D330 WeakPolarHBondContact O-CB 3.41Å; D327-D330 PolarHBondContact O-N 3.07Å; D327-D330 VanDerWaalsContact O-O 3.12Å; D330-G387 WeakPolarHBondContact OD1-CA 3.26Å; D330-D388 VanDerWaalsContact CA-O 3.26Å; D330-D388 WeakPolarHBondContact CA-O 3.31Å; D330-D388 WeakPolarHBondContact CB-O 3.43Å; D330-D388 PolarHBondContact OD1-N 3.47Å; D330-Y390 HydrophobicContact CB-CD2 4.18Å; D330-Y390 HydrophobicContact CB-CE2 3.98Å |
| 331 | V | 93.3 | Very high | 92.3 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 138 | -178.4 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | F324 V353 L378 D388 H389 Y390 | F324-V331 HydrophobicContact CB-CG1 3.9Å; F324-V331 HydrophobicContact CD1-CG1 3.59Å; F324-V331 HydrophobicContact CE1-CG1 4.49Å; F324-V331 HydrophobicContact CG-CG1 4.07Å; V331-V353 HydrophobicContact CB-CG2 4.16Å; V331-V353 HydrophobicContact CG1-CG2 3.95Å; V331-V353 HydrophobicContact CG2-CG2 3.92Å; V331-L378 HydrophobicContact CG2-CD1 3.56Å; V331-L378 HydrophobicContact CG2-CG 3.62Å; V331-D388 PolarHBondContact N-O 3.06Å; V331-H389 CarbonylContact O-C 3.56Å; V331-H389 WeakPolarHBondContact O-CA 3.5Å; V331-H389 PolarHBondContact O-CD2 3.38Å; V331-H389 VanDerWaalsContact O-CD2 3.3Å; V331-Y390 PolarHBondContact O-N 2.86Å |
| 332 | H | 95.2 | Very high | 92.8 | Very high | 26 Ų | 26 | 53.6 Ų | 53.6 | 12% | 0.12 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.6 | 175.2 | -65.8 | -86.4 | 0 | 0 | 0 | 110.5 | F324 R325 Y390 H392 | F324-H332 CarbonylContact C-O 3.59Å; F324-H332 WeakPolarHBondContact CA-O 3.5Å; R325-H332 HydrophobicContact CB-CB 4.2Å; R325-H332 PolarHBondContact N-O 3.42Å; R325-H332 PolarHBondContact O-N 2.95Å; H332-Y390 VanDerWaalsContact CA-O 3.28Å; H332-Y390 WeakPolarHBondContact CA-O 3.37Å; H332-Y390 AromaticContact CE1-CD2 3.56Å; H332-Y390 AromaticContact CE1-CG 3.69Å; H332-Y390 VanDerWaalsContact ND1-CB 3.28Å; H332-Y390 WeakPolarHBondContact ND1-CB 3.35Å; H332-Y390 AromaticContact ND1-CG 4Å; H332-Y390 AromaticContact NE2-CD2 3.98Å; H332-H392 AromaticContact CE1-NE2 3.98Å; H332-H392 AromaticContact CG-NE2 3.62Å; H332-H392 AromaticContact ND1-CD2 3.87Å; H332-H392 AromaticContact ND1-CE1 3.83Å; H332-H392 AromaticContact ND1-NE2 2.96Å; H332-H392 PolarHBondContact ND1-NE2 3.48Å |
| 333 | S | 94.8 | Very high | 93.2 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.028 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 152.8 | 170.5 | 65.5 | 0 | 0 | 0 | 0 | 110.9 | H389 Y390 V391 H392 | S333-H389 WeakPolarHBondContact CB-NE2 3.36Å; S333-H389 PolarHBondContact OG-NE2 2.7Å; S333-Y390 PolarHBondContact N-O 3.37Å; S333-Y390 VanDerWaalsContact N-O 3.07Å; S333-V391 WeakPolarHBondContact O-CA 3.36Å; S333-H392 PolarHBondContact O-N 3.39Å |
| 334 | D | 94.8 | Very high | 93.6 | Very high | 91 Ų | 91 | 54.8 Ų | 54.8 | 49% | 0.487 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 135.3 | 174 | -57.8 | -37.9 | 0 | 0 | 0 | 110.3 | R325 H392 | R325-D334 IonicContact CZ-OD1 3.88Å; R325-D334 IonicContact CZ-OD2 2.96Å; R325-D334 IonicContact NH1-OD1 3.86Å; R325-D334 IonicContact NH1-OD2 3.75Å; R325-D334 PolarHBondContact NH1-OD2 3.43Å; R325-D334 VanDerWaalsContact NH2-CG 3.33Å; R325-D334 IonicContact NH2-OD1 2.93Å; R325-D334 PolarHBondContact NH2-OD1 3.45Å; R325-D334 IonicContact NH2-OD2 2.72Å; R325-D334 PolarHBondContact NH2-OD2 3.34Å; D334-H392 WeakPolarHBondContact CA-O 3.42Å; D334-H392 WeakPolarHBondContact OD1-CB 3.4Å; D334-H392 IonicContact OD1-CD2 3.94Å; D334-H392 IonicContact OD1-CG 3.2Å |
| 335 | V | 95 | Very high | 93.8 | Very high | 17 Ų | 17 | 54 Ų | 54 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 128.9 | 178.1 | 169 | 0 | 0 | 0 | 0 | 109.6 | I337 V348 I350 V391 H392 V393 K394 | V335-I337 HydrophobicContact CG1-CG2 3.84Å; V335-V348 HydrophobicContact CG1-CG1 3.94Å; V335-I350 HydrophobicContact CB-CG2 4.39Å; V335-I350 HydrophobicContact CG1-CG2 4.03Å; V335-I350 HydrophobicContact CG2-CB 4.1Å; V335-I350 HydrophobicContact CG2-CG2 3.47Å; V335-I350 VanDerWaalsContact CG2-CG2 3.47Å; V335-V391 HydrophobicContact CB-CG1 3.73Å; V335-V391 HydrophobicContact CG2-CG1 3.46Å; V335-V391 VanDerWaalsContact CG2-CG1 3.46Å; V335-H392 PolarHBondContact N-O 3.32Å; V335-V393 CarbonylContact O-C 3.48Å; V335-K394 PolarHBondContact O-N 3Å |
| 336 | T | 95.1 | Very high | 93.9 | Very high | 87 Ų | 87 | 49.6 Ų | 49.6 | 53% | 0.534 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 124.2 | 174.9 | 52 | 0 | 0 | 0 | 0 | 110.5 | K394 | T336-K394 CarbonylContact C-O 3.6Å; T336-K394 VanDerWaalsContact CA-O 3.23Å; T336-K394 WeakPolarHBondContact CA-O 3.25Å; T336-K394 HydrophobicContact CG2-CB 4.42Å |
| 337 | I | 95.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 153 | -179.7 | 71.1 | 166.9 | 0 | 0 | 0 | 110.1 | V335 Q341 A342 V348 I361 V393 K394 I395 Q396 | V335-I337 HydrophobicContact CG1-CG2 3.84Å; I337-Q341 HydrophobicContact CB-CB 4.48Å; I337-A342 HydrophobicContact CD1-CB 3.69Å; I337-A342 HydrophobicContact CG1-CB 4.34Å; I337-V348 HydrophobicContact CG2-CG2 4.28Å; I337-I361 HydrophobicContact CB-CD1 4.02Å; I337-I361 HydrophobicContact CD1-CD1 4.11Å; I337-I361 HydrophobicContact CD1-CG2 4.05Å; I337-I361 HydrophobicContact CG2-CD1 3.48Å; I337-I361 VanDerWaalsContact CG2-CD1 3.48Å; I337-V393 HydrophobicContact CB-CG1 4.48Å; I337-V393 HydrophobicContact CD1-CG1 3.3Å; I337-V393 HydrophobicContact CG1-CG1 3.57Å; I337-V393 HydrophobicContact CG2-CG1 4.09Å; I337-K394 PolarHBondContact N-O 3.38Å; I337-I395 HydrophobicContact CD1-CG1 4.47Å; I337-I395 HydrophobicContact CG1-CG1 4.25Å; I337-Q396 PolarHBondContact O-N 2.94Å |
| 338 | S | 95.1 | Very high | 94.4 | Very high | 47 Ų | 47 | 45.2 Ų | 45.2 | 33% | 0.329 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 159.1 | 177.6 | 76 | 0 | 0 | 0 | 0 | 111.9 | S340 Q341 A342 | S338-S340 VanDerWaalsContact C-N 3.29Å; S338-S340 PolarHBondContact O-N 3.37Å; S338-Q341 PolarHBondContact O-N 2.68Å; S338-Q341 WeakPolarHBondContact OG-CB 3.31Å; S338-Q341 VanDerWaalsContact OG-CG 3.28Å; S338-Q341 WeakPolarHBondContact OG-CG 3.31Å; S338-Q341 PolarHBondContact OG-N 3Å; S338-Q341 VanDerWaalsContact OG-N 3.17Å; S338-Q341 PolarHBondContact OG-OE1 3.48Å; S338-A342 PolarHBondContact O-N 3.01Å |
| 339 | L | 94.2 | Very high | 94.6 | Very high | 65 Ų | 65 | 52.7 Ų | 52.7 | 34% | 0.34 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -55.3 | -44.8 | 174.8 | -178.8 | 66 | 0 | 0 | 0 | 111.6 | Q341 A342 V343 I395 L409 | L339-Q341 PolarHBondContact O-N 2.89Å; L339-A342 WeakPolarHBondContact O-CB 3.45Å; L339-A342 PolarHBondContact O-N 3.5Å; L339-V343 HydrophobicContact CD1-CG2 4.49Å; L339-V343 WeakPolarHBondContact O-CG2 3.38Å; L339-V343 PolarHBondContact O-N 2.8Å; L339-V343 VanDerWaalsContact O-N 3.08Å; L339-I395 HydrophobicContact CD1-CG2 4.32Å; L339-L409 HydrophobicContact CD2-CD2 4.05Å |
| 340 | S | 94.2 | Very high | 94.8 | Very high | 80 Ų | 80 | 52 Ų | 52 | 56% | 0.559 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.2 | -39.9 | 178.9 | -50.1 | 0 | 0 | 0 | 0 | 112.3 | S338 A342 V343 L344 | S338-S340 VanDerWaalsContact C-N 3.29Å; S338-S340 PolarHBondContact O-N 3.37Å; S340-A342 VanDerWaalsContact C-N 3.33Å; S340-V343 PolarHBondContact O-N 3.07Å; S340-L344 WeakPolarHBondContact O-CB 3.41Å; S340-L344 PolarHBondContact O-N 3.01Å |
| 341 | Q | 94.7 | Very high | 94.7 | Very high | 57 Ų | 57 | 56.4 Ų | 56.4 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.4 | -34.5 | 175.6 | -76.2 | 172.4 | -33.2 | 0 | 0 | 112.4 | I337 S338 L339 G345 | I337-Q341 HydrophobicContact CB-CB 4.48Å; S338-Q341 PolarHBondContact O-N 2.68Å; S338-Q341 WeakPolarHBondContact OG-CB 3.31Å; S338-Q341 VanDerWaalsContact OG-CG 3.28Å; S338-Q341 WeakPolarHBondContact OG-CG 3.31Å; S338-Q341 PolarHBondContact OG-N 3Å; S338-Q341 VanDerWaalsContact OG-N 3.17Å; S338-Q341 PolarHBondContact OG-OE1 3.48Å; L339-Q341 PolarHBondContact O-N 2.89Å; Q341-G345 CarbonylContact O-C 3.6Å; Q341-G345 WeakPolarHBondContact O-CA 3.27Å; Q341-G345 PolarHBondContact O-N 3.35Å |
| 342 | A | 95.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I337 S338 L339 S340 G364 T365 I395 | I337-A342 HydrophobicContact CD1-CB 3.69Å; I337-A342 HydrophobicContact CG1-CB 4.34Å; S338-A342 PolarHBondContact O-N 3.01Å; L339-A342 WeakPolarHBondContact O-CB 3.45Å; L339-A342 PolarHBondContact O-N 3.5Å; S340-A342 VanDerWaalsContact C-N 3.33Å; A342-G364 CarbonylContact O-C 3.57Å; A342-G364 WeakPolarHBondContact O-CA 3.28Å; A342-G364 PolarHBondContact O-N 3.06Å; A342-T365 PolarHBondContact O-N 2.64Å; A342-I395 HydrophobicContact CB-CD1 3.59Å; A342-I395 HydrophobicContact CB-CG1 3.84Å; A342-I395 HydrophobicContact CB-CG2 4.43Å |
| 343 | V | 94.9 | Very high | 94.2 | Very high | 68 Ų | 68 | 55.8 Ų | 55.8 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -77.5 | -54.3 | -177.5 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | L339 S340 P363 G364 | L339-V343 HydrophobicContact CD1-CG2 4.49Å; L339-V343 WeakPolarHBondContact O-CG2 3.38Å; L339-V343 PolarHBondContact O-N 2.8Å; L339-V343 VanDerWaalsContact O-N 3.08Å; S340-V343 PolarHBondContact O-N 3.07Å; V343-P363 WeakPolarHBondContact O-CA 3.05Å; V343-G364 PolarHBondContact O-N 3.14Å; V343-G364 VanDerWaalsContact O-N 3.09Å |
| 344 | L | 95.8 | Very high | 93.7 | Very high | 139 Ų | 139 | 58.7 Ų | 58.7 | 73% | 0.728 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -86.7 | -13.4 | -172.9 | -58 | 175.4 | 0 | 0 | 0 | 113.2 | S340 | S340-L344 WeakPolarHBondContact O-CB 3.41Å; S340-L344 PolarHBondContact O-N 3.01Å |
| 345 | G | 95.6 | Very high | 93.4 | Very high | 16 Ų | 16 | 59.6 Ų | 59.6 | 17% | 0.165 | 32% | 0.322 | C | S | . | . | trans | 80.3 | -179.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q341 I361 | Q341-G345 CarbonylContact O-C 3.6Å; Q341-G345 WeakPolarHBondContact O-CA 3.27Å; Q341-G345 PolarHBondContact O-N 3.35Å; G345-I361 WeakPolarHBondContact CA-O 3.19Å | ||
| 346 | G | 94.7 | Very high | 93.3 | Very high | 30 Ų | 30 | 63.3 Ų | 63.3 | 31% | 0.309 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.9 | -166.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | I361 | G346-I361 PolarHBondContact N-O 2.8Å; G346-I361 PolarHBondContact O-N 2.58Å |
| 347 | T | 95.3 | Very high | 93.1 | Very high | 85 Ų | 85 | 60.1 Ų | 60.1 | 52% | 0.521 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.7 | 179.5 | 50.7 | 0 | 0 | 0 | 0 | 111.5 | L359 Q360 | T347-L359 WeakPolarHBondContact CA-O 3.28Å; T347-Q360 VanDerWaalsContact CG2-CD 3.43Å; T347-Q360 VanDerWaalsContact CG2-NE2 3.27Å |
| 348 | V | 95.1 | Very high | 93.1 | Very high | 22 Ų | 22 | 63.1 Ų | 63.1 | 13% | 0.133 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 133.5 | 171.1 | 172.1 | 0 | 0 | 0 | 0 | 109.7 | V335 I337 I350 L359 I361 | V335-V348 HydrophobicContact CG1-CG1 3.94Å; I337-V348 HydrophobicContact CG2-CG2 4.28Å; V348-I350 HydrophobicContact CG1-CG2 4.06Å; V348-L359 PolarHBondContact N-O 3.2Å; V348-L359 WeakPolarHBondContact O-CB 3.38Å; V348-L359 PolarHBondContact O-N 3.43Å; V348-I361 HydrophobicContact CB-CD1 4Å; V348-I361 HydrophobicContact CG2-CD1 3.44Å; V348-I361 VanDerWaalsContact CG2-CD1 3.44Å |
| 349 | R | 94.7 | Very high | 93 | Very high | 195 Ų | 195 | 61.2 Ų | 61.2 | 74% | 0.736 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 124.8 | 172.9 | -67.3 | -172.5 | 66.8 | 178.3 | -1.6 | 109.5 | D356 | R349-D356 IonicContact NH2-OD2 3.88Å |
| 350 | I | 93.5 | Very high | 93.1 | Very high | 8 Ų | 8 | 64.3 Ų | 64.3 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 148.5 | -179.6 | 70.2 | 167.6 | 0 | 0 | 0 | 109.4 | V335 V348 G352 D356 V357 L359 L373 V391 | V335-I350 HydrophobicContact CB-CG2 4.39Å; V335-I350 HydrophobicContact CG1-CG2 4.03Å; V335-I350 HydrophobicContact CG2-CB 4.1Å; V335-I350 HydrophobicContact CG2-CG2 3.47Å; V335-I350 VanDerWaalsContact CG2-CG2 3.47Å; V348-I350 HydrophobicContact CG1-CG2 4.06Å; I350-G352 PolarHBondContact O-N 2.8Å; I350-D356 WeakPolarHBondContact O-CA 3.25Å; I350-V357 HydrophobicContact CG1-CB 4.15Å; I350-V357 WeakPolarHBondContact CG1-O 3.34Å; I350-V357 PolarHBondContact N-O 2.92Å; I350-V357 PolarHBondContact O-N 3.22Å; I350-L359 HydrophobicContact CD1-CB 4.25Å; I350-L359 HydrophobicContact CD1-CD2 4.41Å; I350-L359 HydrophobicContact CG1-CB 4.38Å; I350-L359 HydrophobicContact CG2-CB 4.1Å; I350-L359 HydrophobicContact CG2-CD2 4.26Å; I350-L373 HydrophobicContact CD1-CD1 3.65Å; I350-V391 HydrophobicContact CD1-CG2 3.45Å; I350-V391 VanDerWaalsContact CD1-CG2 3.45Å |
| 351 | K | 91.7 | Very high | 93.2 | Very high | 140 Ų | 140 | 60.7 Ų | 60.7 | 61% | 0.609 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 117.1 | 172.7 | -66.4 | -175.7 | 178.4 | 179.6 | 0 | 108.7 | F324 | F324-K351 VanDerWaalsContact CE1-O 3.29Å; F324-K351 WeakPolarHBondContact CE1-O 3.35Å; F324-K351 HydrophobicContact CZ-CB 4.21Å; F324-K351 VanDerWaalsContact CZ-O 3.32Å; F324-K351 WeakPolarHBondContact CZ-O 3.43Å |
| 352 | G | 89.5 | Confident | 93.2 | Very high | 7 Ų | 7 | 61.1 Ų | 61.1 | 7% | 0.072 | 33% | 0.328 | C | S | . | . | trans | -90 | 173.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I350 E355 | I350-G352 PolarHBondContact O-N 2.8Å; G352-E355 CarbonylContact C-O 3.52Å; G352-E355 WeakPolarHBondContact CA-O 3.26Å; G352-E355 PolarHBondContact N-O 2.75Å | ||
| 353 | V | 87.9 | Confident | 93.3 | Very high | 8 Ų | 8 | 65.6 Ų | 65.6 | 5% | 0.048 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -69.6 | -38.5 | -178.7 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | A206 F324 V331 L378 | A206-V353 HydrophobicContact CB-CG1 3.21Å; F324-V353 HydrophobicContact CE1-CG2 4.46Å; V331-V353 HydrophobicContact CB-CG2 4.16Å; V331-V353 HydrophobicContact CG1-CG2 3.95Å; V331-V353 HydrophobicContact CG2-CG2 3.92Å; V353-L378 HydrophobicContact CG1-CD2 3.79Å |
| 354 | H | 85.3 | Confident | 93.2 | Very high | 65 Ų | 65 | 65.6 Ų | 65.6 | 30% | 0.301 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -100 | -44.4 | -178.2 | -66.3 | -70 | 0 | 0 | 0 | 112.6 | K207 Y386 | K207-H354 VanDerWaalsContact CE-O 3.24Å; K207-H354 WeakPolarHBondContact CE-O 2.89Å; K207-H354 PolarHBondContact NZ-O 3.05Å; H354-Y386 AromaticContact NE2-CE1 3.73Å |
| 355 | E | 88.3 | Confident | 93.2 | Very high | 111 Ų | 111 | 59.6 Ų | 59.6 | 52% | 0.519 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -145.8 | 161.6 | -175.1 | 64.6 | -172.8 | 176 | 0 | 0 | 109.7 | G352 V357 K376 | G352-E355 CarbonylContact C-O 3.52Å; G352-E355 WeakPolarHBondContact CA-O 3.26Å; G352-E355 PolarHBondContact N-O 2.75Å; E355-V357 HydrophobicContact CG-CG2 4.42Å; E355-K376 IonicContact OE1-NZ 3.51Å; E355-K376 PolarHBondContact OE1-NZ 3.2Å |
| 356 | D | 91.6 | Very high | 93.1 | Very high | 94 Ų | 94 | 61.6 Ų | 61.6 | 50% | 0.503 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 135.3 | 170.8 | -68.7 | -17 | 0 | 0 | 0 | 109.9 | R349 I350 | R349-D356 IonicContact NH2-OD2 3.88Å; I350-D356 WeakPolarHBondContact O-CA 3.25Å |
| 357 | V | 92.8 | Very high | 93.1 | Very high | 20 Ų | 20 | 62.4 Ų | 62.4 | 12% | 0.121 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 136.2 | -177.6 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | I350 E355 L359 L373 K376 | I350-V357 HydrophobicContact CG1-CB 4.15Å; I350-V357 WeakPolarHBondContact CG1-O 3.34Å; I350-V357 PolarHBondContact N-O 2.92Å; I350-V357 PolarHBondContact O-N 3.22Å; E355-V357 HydrophobicContact CG-CG2 4.42Å; V357-L359 PolarHBondContact O-N 2.91Å; V357-L373 HydrophobicContact CB-CD1 4.49Å; V357-L373 HydrophobicContact CG1-CD1 4.05Å; V357-K376 HydrophobicContact CG2-CD 4.45Å |
| 358 | A | 94 | Very high | 93 | Very high | 66 Ų | 66 | 65 Ų | 65 | 55% | 0.545 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 107.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 359 | L | 94.6 | Very high | 93 | Very high | 7 Ų | 7 | 65.7 Ų | 65.7 | 4% | 0.037 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 122.2 | 177.4 | -180 | 66.4 | 0 | 0 | 0 | 109.7 | T347 V348 I350 V357 L371 L373 V391 | T347-L359 WeakPolarHBondContact CA-O 3.28Å; V348-L359 PolarHBondContact N-O 3.2Å; V348-L359 WeakPolarHBondContact O-CB 3.38Å; V348-L359 PolarHBondContact O-N 3.43Å; I350-L359 HydrophobicContact CD1-CB 4.25Å; I350-L359 HydrophobicContact CD1-CD2 4.41Å; I350-L359 HydrophobicContact CG1-CB 4.38Å; I350-L359 HydrophobicContact CG2-CB 4.1Å; I350-L359 HydrophobicContact CG2-CD2 4.26Å; V357-L359 PolarHBondContact O-N 2.91Å; L359-L371 HydrophobicContact CD1-CB 4.3Å; L359-L371 HydrophobicContact CD1-CD1 4.2Å; L359-L371 HydrophobicContact CD2-CD1 4.06Å; L359-L371 HydrophobicContact CG-CD1 4.31Å; L359-L373 HydrophobicContact CD1-CD1 4.38Å; L359-L373 HydrophobicContact CD1-CD2 3.83Å; L359-L373 HydrophobicContact CD1-CG 4.28Å; L359-V391 HydrophobicContact CD2-CB 4.15Å; L359-V391 HydrophobicContact CD2-CG1 3.8Å; L359-V391 HydrophobicContact CD2-CG2 4.29Å |
| 360 | Q | 95 | Very high | 93.1 | Very high | 129 Ų | 129 | 64.8 Ų | 64.8 | 60% | 0.603 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 123 | 169.1 | -63 | -67.4 | -10.9 | 0 | 0 | 108.8 | T347 P362 | T347-Q360 VanDerWaalsContact CG2-CD 3.43Å; T347-Q360 VanDerWaalsContact CG2-NE2 3.27Å; Q360-P362 WeakPolarHBondContact O-CD 3.42Å |
| 361 | I | 95.9 | Very high | 93.2 | Very high | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.026 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 114.3 | 176.6 | -60.4 | 167.7 | 0 | 0 | 0 | 107.2 | I337 G345 G346 V348 T365 | I337-I361 HydrophobicContact CB-CD1 4.02Å; I337-I361 HydrophobicContact CD1-CD1 4.11Å; I337-I361 HydrophobicContact CD1-CG2 4.05Å; I337-I361 HydrophobicContact CG2-CD1 3.48Å; I337-I361 VanDerWaalsContact CG2-CD1 3.48Å; G345-I361 WeakPolarHBondContact CA-O 3.19Å; G346-I361 PolarHBondContact N-O 2.8Å; G346-I361 PolarHBondContact O-N 2.58Å; V348-I361 HydrophobicContact CB-CD1 4Å; V348-I361 HydrophobicContact CG2-CD1 3.44Å; V348-I361 VanDerWaalsContact CG2-CD1 3.44Å; I361-T365 HydrophobicContact CG2-CG2 4.26Å; I361-T365 WeakPolarHBondContact CG2-OG1 3.46Å |
| 362 | P | 96.3 | Very high | 93.4 | Very high | 66 Ų | 66 | 66.8 Ų | 66.8 | 43% | 0.429 | 37% | 0.369 | S | S | . | . | trans | -61.6 | 148.3 | 173.3 | -22 | 33.8 | 0 | 0 | 0 | 111.6 | Q360 T365 | Q360-P362 WeakPolarHBondContact O-CD 3.42Å; P362-T365 PolarHBondContact O-N 2.64Å; P362-T365 PolarHBondContact O-OG1 3.37Å | ||
| 363 | P | 96 | Very high | 93.6 | Very high | 97 Ų | 97 | 68 Ų | 68 | 63% | 0.63 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 145.4 | 170.5 | 26.9 | -34.3 | 0 | 0 | 0 | 110.7 | V343 | V343-P363 WeakPolarHBondContact O-CA 3.05Š|
| 364 | G | 93.9 | Very high | 93.9 | Very high | 67 Ų | 67 | 70.9 Ų | 70.9 | 69% | 0.691 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 24.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | A342 V343 A366 | A342-G364 CarbonylContact O-C 3.57Å; A342-G364 WeakPolarHBondContact O-CA 3.28Å; A342-G364 PolarHBondContact O-N 3.06Å; V343-G364 PolarHBondContact O-N 3.14Å; V343-G364 VanDerWaalsContact O-N 3.09Å; G364-A366 PolarHBondContact O-N 3.01Å |
| 365 | T | 95.3 | Very high | 94.3 | Very high | 13 Ų | 13 | 69.6 Ų | 69.6 | 8% | 0.08 | 40% | 0.402 | C | S | . | . | trans | -72.8 | 114.9 | 177.5 | -65.3 | 0 | 0 | 0 | 0 | 110.7 | A342 I361 P362 V393 | A342-T365 PolarHBondContact O-N 2.64Å; I361-T365 HydrophobicContact CG2-CG2 4.26Å; I361-T365 WeakPolarHBondContact CG2-OG1 3.46Å; P362-T365 PolarHBondContact O-N 2.64Å; P362-T365 PolarHBondContact O-OG1 3.37Å; T365-V393 HydrophobicContact CG2-CB 4.36Å; T365-V393 HydrophobicContact CG2-CG1 4.05Å; T365-V393 HydrophobicContact CG2-CG2 4.27Å | ||
| 366 | A | 94.1 | Very high | 94.5 | Very high | 58 Ų | 58 | 68.1 Ų | 68.1 | 48% | 0.479 | 39% | 0.394 | S | S | . | . | trans | -73.9 | 158.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G364 S369 | G364-A366 PolarHBondContact O-N 3.01Å; A366-S369 PolarHBondContact N-OG 3.47Å; A366-S369 VanDerWaalsContact O-CB 3.23Å; A366-S369 WeakPolarHBondContact O-CB 3.34Å; A366-S369 PolarHBondContact O-N 2.69Å; A366-S369 PolarHBondContact O-OG 3.15Å | ||
| 367 | S | 93.7 | Very high | 94.5 | Very high | 48 Ų | 48 | 63.6 Ų | 63.6 | 34% | 0.336 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 142.5 | 171.5 | -159.6 | 0 | 0 | 0 | 0 | 110.8 | S369 I395 | S367-S369 PolarHBondContact O-N 3.18Å; S367-I395 PolarHBondContact OG-N 3.29Å |
| 368 | H | 94.4 | Very high | 94.4 | Very high | 139 Ų | 139 | 63.3 Ų | 63.3 | 64% | 0.644 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 10.1 | -172.2 | -48.4 | 84.9 | 0 | 0 | 0 | 115.5 | V393 | H368-V393 VanDerWaalsContact CA-O 3.24Å; H368-V393 WeakPolarHBondContact CA-O 3.46Å; H368-V393 PolarHBondContact N-O 2.72Å |
| 369 | S | 95.4 | Very high | 94.2 | Very high | 37 Ų | 37 | 64.6 Ų | 64.6 | 26% | 0.259 | 36% | 0.361 | S | S | . | . | trans | -60.8 | 141.1 | 169 | -60 | 0 | 0 | 0 | 0 | 110.5 | A366 S367 V393 | A366-S369 PolarHBondContact N-OG 3.47Å; A366-S369 VanDerWaalsContact O-CB 3.23Å; A366-S369 WeakPolarHBondContact O-CB 3.34Å; A366-S369 PolarHBondContact O-N 2.69Å; A366-S369 PolarHBondContact O-OG 3.15Å; S367-S369 PolarHBondContact O-N 3.18Å; S369-V393 PolarHBondContact O-N 3.02Å | ||
| 370 | R | 95.7 | Very high | 94 | Very high | 176 Ų | 176 | 68.3 Ų | 68.3 | 66% | 0.664 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 112.7 | 177.9 | -62 | -175 | -172.3 | -176 | 2.4 | 109.5 | V391 H392 | R370-V391 WeakPolarHBondContact CA-O 3.35Å; R370-H392 PolarHBondContact NE-CE1 3.26Å; R370-H392 VanDerWaalsContact NE-CE1 3.31Å |
| 371 | L | 95.5 | Very high | 93.4 | Very high | 34 Ų | 34 | 64.5 Ų | 64.5 | 18% | 0.178 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 129.4 | 174 | -61.5 | 177.7 | 0 | 0 | 0 | 109 | L359 V391 V393 | L359-L371 HydrophobicContact CD1-CB 4.3Å; L359-L371 HydrophobicContact CD1-CD1 4.2Å; L359-L371 HydrophobicContact CD2-CD1 4.06Å; L359-L371 HydrophobicContact CG-CD1 4.31Å; L371-V391 PolarHBondContact N-O 3.28Å; L371-V391 PolarHBondContact O-N 3.2Å; L371-V393 HydrophobicContact CD1-CG2 3.84Å; L371-V393 HydrophobicContact CG-CG2 4.11Å |
| 372 | R | 95.9 | Very high | 92.8 | Very high | 156 Ų | 156 | 71.7 Ų | 71.7 | 59% | 0.589 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100 | 126.6 | -177.4 | -174.6 | 179.6 | 75.2 | 140 | -9.8 | 110.7 | D388 Y390 | R372-D388 WeakPolarHBondContact CD-OD2 3.41Å; R372-D388 HydrophobicContact CG-CB 4.11Å; R372-D388 IonicContact CZ-OD2 3.76Å; R372-D388 IonicContact NE-OD2 2.89Å; R372-D388 IonicContact NH1-OD2 2.8Å; R372-D388 PolarHBondContact NH1-OD2 2.95Å; R372-Y390 HydrophobicContact CB-CD1 4.11Å; R372-Y390 HydrophobicContact CB-CE1 3.99Å; R372-Y390 HydrophobicContact CG-CD1 4.13Å; R372-Y390 HydrophobicContact CG-CE1 3.72Å |
| 373 | L | 94.6 | Very high | 92.3 | Very high | 32 Ų | 32 | 71.4 Ų | 71.4 | 17% | 0.168 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 101.3 | 169.5 | -62.1 | 174.4 | 0 | 0 | 0 | 108.8 | I350 V357 L359 G375 K376 H389 V391 | I350-L373 HydrophobicContact CD1-CD1 3.65Å; V357-L373 HydrophobicContact CB-CD1 4.49Å; V357-L373 HydrophobicContact CG1-CD1 4.05Å; L359-L373 HydrophobicContact CD1-CD1 4.38Å; L359-L373 HydrophobicContact CD1-CD2 3.83Å; L359-L373 HydrophobicContact CD1-CG 4.28Å; L373-G375 PolarHBondContact O-N 2.93Å; L373-K376 HydrophobicContact CB-CB 4.04Å; L373-K376 HydrophobicContact CB-CG 4.15Å; L373-K376 PolarHBondContact O-N 3.16Å; L373-H389 HydrophobicContact CB-CB 4.21Å; L373-H389 WeakPolarHBondContact CB-O 3.34Å; L373-H389 PolarHBondContact N-O 3.21Å; L373-H389 PolarHBondContact O-N 2.62Å; L373-V391 HydrophobicContact CD1-CG2 4.04Å |
| 374 | A | 94 | Very high | 91.9 | Very high | 69 Ų | 69 | 78 Ų | 78 | 57% | 0.57 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 132.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K376 D388 | A374-K376 PolarHBondContact O-N 3.12Å; A374-D388 VanDerWaalsContact CA-OD1 3.29Å; A374-D388 WeakPolarHBondContact CA-OD1 3.45Å |
| 375 | G | 92.2 | Very high | 91.7 | Very high | 37 Ų | 37 | 75.8 Ų | 75.8 | 38% | 0.381 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 11.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | L373 Y386 G387 D388 | L373-G375 PolarHBondContact O-N 2.93Å; G375-Y386 WeakPolarHBondContact O-CB 3.17Å; G375-G387 CarbonylContact C-O 3.56Å; G375-G387 VanDerWaalsContact CA-O 3.27Å; G375-G387 WeakPolarHBondContact CA-O 3.44Å; G375-D388 PolarHBondContact N-OD1 2.83Å |
| 376 | K | 92.6 | Very high | 91.6 | Very high | 80 Ų | 80 | 80.7 Ų | 80.7 | 35% | 0.348 | 41% | 0.41 | S | S | . | . | trans | -98.5 | 7.2 | 178 | -65.9 | -64.5 | -172.3 | 179.1 | 0 | 113.7 | E355 V357 L373 A374 G387 H389 | E355-K376 IonicContact OE1-NZ 3.51Å; E355-K376 PolarHBondContact OE1-NZ 3.2Å; V357-K376 HydrophobicContact CG2-CD 4.45Å; L373-K376 HydrophobicContact CB-CB 4.04Å; L373-K376 HydrophobicContact CB-CG 4.15Å; L373-K376 PolarHBondContact O-N 3.16Å; A374-K376 PolarHBondContact O-N 3.12Å; K376-G387 PolarHBondContact N-O 3.49Å; K376-H389 HydrophobicContact CB-CB 4Å | ||
| 377 | G | 91.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -83.3 | -154.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G387 | G377-G387 VanDerWaalsContact CA-O 3.26Å; G377-G387 WeakPolarHBondContact CA-O 3.24Å; G377-G387 PolarHBondContact N-O 2.84Å |
| 378 | L | 91.5 | Very high | 91.6 | Very high | 13 Ų | 13 | 76.9 Ų | 76.9 | 7% | 0.068 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -84.6 | 152 | -178.8 | -68.8 | 157.6 | 0 | 0 | 0 | 111.2 | A206 R326 A329 V331 V353 K380 Y386 G387 | A206-L378 HydrophobicContact CB-CD2 3.44Å; A206-L378 VanDerWaalsContact CB-CD2 3.44Å; R326-L378 HydrophobicContact CG-CD1 3.81Å; A329-L378 WeakPolarHBondContact O-CB 3.12Å; A329-L378 PolarHBondContact O-N 3.36Å; V331-L378 HydrophobicContact CG2-CD1 3.56Å; V331-L378 HydrophobicContact CG2-CG 3.62Å; V353-L378 HydrophobicContact CG1-CD2 3.79Å; L378-K380 PolarHBondContact O-N 2.99Å; L378-Y386 CarbonylContact O-C 3.38Å; L378-Y386 WeakPolarHBondContact O-CA 3.21Å; L378-G387 PolarHBondContact O-N 3.32Å |
| 379 | K | 90.4 | Very high | 91.7 | Very high | 93 Ų | 93 | 70.3 Ų | 70.3 | 40% | 0.404 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -63.3 | 135.3 | 172.4 | -170.8 | 179.3 | 179.9 | 179.9 | 0 | 109.9 | A295 G296 Y386 | A295-K379 HydrophobicContact CB-CB 4.33Å; A295-K379 HydrophobicContact CB-CD 4.12Å; G296-K379 WeakPolarHBondContact CA-O 3.4Å; K379-Y386 HydrophobicContact CB-CD1 4.14Å; K379-Y386 HydrophobicContact CB-CE1 3.92Å; K379-Y386 HydrophobicContact CG-CE1 4.4Å |
| 380 | K | 89.1 | Confident | 91.7 | Very high | 85 Ų | 85 | 71.4 Ų | 71.4 | 37% | 0.37 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 131.9 | 173.7 | -62.2 | -179.4 | -178.1 | -178.6 | 0 | 109.3 | A329 L378 S383 G385 | A329-K380 HydrophobicContact CB-CD 4.47Å; A329-K380 HydrophobicContact CB-CG 3.66Å; L378-K380 PolarHBondContact O-N 2.99Å; K380-S383 WeakPolarHBondContact CB-O 3.15Å; K380-S383 WeakPolarHBondContact CB-OG 3.32Å; K380-S383 WeakPolarHBondContact CD-OG 3.48Å; K380-G385 PolarHBondContact N-O 2.86Å; K380-G385 VanDerWaalsContact N-O 3.07Å |
| 381 | V | 82.9 | Confident | 91.8 | Very high | 49 Ų | 49 | 63 Ų | 63 | 30% | 0.297 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -76 | -41.4 | -175.6 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | G296 | G296-V381 VanDerWaalsContact C-CG2 3.43Å; G296-V381 WeakPolarHBondContact O-CG2 3.46Å |
| 382 | N | 83.3 | Confident | 91.8 | Very high | 156 Ų | 156 | 62.9 Ų | 62.9 | 83% | 0.834 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -100.2 | -0.2 | -174.8 | -64.2 | -23.8 | 0 | 0 | 0 | 113.9 | ||
| 383 | S | 85.1 | Confident | 91.8 | Very high | 60 Ų | 60 | 55.5 Ų | 55.5 | 42% | 0.42 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -141.4 | 160.4 | -179.2 | 73.2 | 0 | 0 | 0 | 0 | 111 | K380 | K380-S383 WeakPolarHBondContact CB-O 3.15Å; K380-S383 WeakPolarHBondContact CB-OG 3.32Å; K380-S383 WeakPolarHBondContact CD-OG 3.48Å |
| 384 | Y | 87.8 | Confident | 91.9 | Very high | 236 Ų | 236 | 59.8 Ų | 59.8 | 93% | 0.925 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -70.1 | 150.3 | 171.1 | -169 | -102 | 0 | 0 | 0 | 111 | ||
| 385 | G | 90.8 | Very high | 92 | Very high | 21 Ų | 21 | 58.3 Ų | 58.3 | 22% | 0.216 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 96.8 | -175.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | K380 | K380-G385 PolarHBondContact N-O 2.86Å; K380-G385 VanDerWaalsContact N-O 3.07Å |
| 386 | Y | 92.7 | Very high | 92.1 | Very high | 115 Ų | 115 | 62.5 Ų | 62.5 | 45% | 0.451 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -117.9 | 154.4 | -177.1 | -67.1 | -97.7 | 0 | 0 | 0 | 109.7 | H354 G375 L378 K379 | H354-Y386 AromaticContact NE2-CE1 3.73Å; G375-Y386 WeakPolarHBondContact O-CB 3.17Å; L378-Y386 CarbonylContact O-C 3.38Å; L378-Y386 WeakPolarHBondContact O-CA 3.21Å; K379-Y386 HydrophobicContact CB-CD1 4.14Å; K379-Y386 HydrophobicContact CB-CE1 3.92Å; K379-Y386 HydrophobicContact CG-CE1 4.4Å |
| 387 | G | 93.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | trans | -74 | -179.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112 | D330 G375 K376 G377 L378 | D330-G387 WeakPolarHBondContact OD1-CA 3.26Å; G375-G387 CarbonylContact C-O 3.56Å; G375-G387 VanDerWaalsContact CA-O 3.27Å; G375-G387 WeakPolarHBondContact CA-O 3.44Å; K376-G387 PolarHBondContact N-O 3.49Å; G377-G387 VanDerWaalsContact CA-O 3.26Å; G377-G387 WeakPolarHBondContact CA-O 3.24Å; G377-G387 PolarHBondContact N-O 2.84Å; L378-G387 PolarHBondContact O-N 3.32Å | ||
| 388 | D | 95.1 | Very high | 92.1 | Very high | 26 Ų | 26 | 66.6 Ų | 66.6 | 14% | 0.139 | 33% | 0.327 | C | S | . | . | trans | -99.2 | 152.7 | 179.3 | -70.1 | -13 | 0 | 0 | 0 | 110.8 | D330 V331 R372 A374 G375 Y390 | D330-D388 VanDerWaalsContact CA-O 3.26Å; D330-D388 WeakPolarHBondContact CA-O 3.31Å; D330-D388 WeakPolarHBondContact CB-O 3.43Å; D330-D388 PolarHBondContact OD1-N 3.47Å; V331-D388 PolarHBondContact N-O 3.06Å; R372-D388 WeakPolarHBondContact CD-OD2 3.41Å; R372-D388 HydrophobicContact CG-CB 4.11Å; R372-D388 IonicContact CZ-OD2 3.76Å; R372-D388 IonicContact NE-OD2 2.89Å; R372-D388 IonicContact NH1-OD2 2.8Å; R372-D388 PolarHBondContact NH1-OD2 2.95Å; A374-D388 VanDerWaalsContact CA-OD1 3.29Å; A374-D388 WeakPolarHBondContact CA-OD1 3.45Å; G375-D388 PolarHBondContact N-OD1 2.83Å; D388-Y390 HydrophobicContact CB-CE2 4.03Å | ||
| 389 | H | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 111.6 | 172.5 | -177.6 | -173.9 | 0 | 0 | 0 | 109.4 | V331 S333 L373 K376 | V331-H389 CarbonylContact O-C 3.56Å; V331-H389 WeakPolarHBondContact O-CA 3.5Å; V331-H389 PolarHBondContact O-CD2 3.38Å; V331-H389 VanDerWaalsContact O-CD2 3.3Å; S333-H389 WeakPolarHBondContact CB-NE2 3.36Å; S333-H389 PolarHBondContact OG-NE2 2.7Å; L373-H389 HydrophobicContact CB-CB 4.21Å; L373-H389 WeakPolarHBondContact CB-O 3.34Å; L373-H389 PolarHBondContact N-O 3.21Å; L373-H389 PolarHBondContact O-N 2.62Å; K376-H389 HydrophobicContact CB-CB 4Å |
| 390 | Y | 96.6 | Very high | 92.4 | Very high | 61 Ų | 61 | 80.9 Ų | 80.9 | 24% | 0.239 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 118.8 | 176.7 | -67.3 | -80.1 | 0 | 0 | 0 | 110.9 | D330 V331 H332 S333 R372 D388 | D330-Y390 HydrophobicContact CB-CD2 4.18Å; D330-Y390 HydrophobicContact CB-CE2 3.98Å; V331-Y390 PolarHBondContact O-N 2.86Å; H332-Y390 VanDerWaalsContact CA-O 3.28Å; H332-Y390 WeakPolarHBondContact CA-O 3.37Å; H332-Y390 AromaticContact CE1-CD2 3.56Å; H332-Y390 AromaticContact CE1-CG 3.69Å; H332-Y390 VanDerWaalsContact ND1-CB 3.28Å; H332-Y390 WeakPolarHBondContact ND1-CB 3.35Å; H332-Y390 AromaticContact ND1-CG 4Å; H332-Y390 AromaticContact NE2-CD2 3.98Å; S333-Y390 PolarHBondContact N-O 3.37Å; S333-Y390 VanDerWaalsContact N-O 3.07Å; R372-Y390 HydrophobicContact CB-CD1 4.11Å; R372-Y390 HydrophobicContact CB-CE1 3.99Å; R372-Y390 HydrophobicContact CG-CD1 4.13Å; R372-Y390 HydrophobicContact CG-CE1 3.72Å; D388-Y390 HydrophobicContact CB-CE2 4.03Å |
| 391 | V | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 117.5 | 178.7 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | S333 V335 I350 L359 R370 L371 L373 | S333-V391 WeakPolarHBondContact O-CA 3.36Å; V335-V391 HydrophobicContact CB-CG1 3.73Å; V335-V391 HydrophobicContact CG2-CG1 3.46Å; V335-V391 VanDerWaalsContact CG2-CG1 3.46Å; I350-V391 HydrophobicContact CD1-CG2 3.45Å; I350-V391 VanDerWaalsContact CD1-CG2 3.45Å; L359-V391 HydrophobicContact CD2-CB 4.15Å; L359-V391 HydrophobicContact CD2-CG1 3.8Å; L359-V391 HydrophobicContact CD2-CG2 4.29Å; R370-V391 WeakPolarHBondContact CA-O 3.35Å; L371-V391 PolarHBondContact N-O 3.28Å; L371-V391 PolarHBondContact O-N 3.2Å; L373-V391 HydrophobicContact CD1-CG2 4.04Å |
| 392 | H | 96 | Very high | 92.9 | Very high | 31 Ų | 31 | 80.9 Ų | 80.9 | 14% | 0.144 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 115.8 | 173.2 | -60.8 | -93.8 | 0 | 0 | 0 | 108.9 | H332 S333 D334 V335 R370 | H332-H392 AromaticContact CE1-NE2 3.98Å; H332-H392 AromaticContact CG-NE2 3.62Å; H332-H392 AromaticContact ND1-CD2 3.87Å; H332-H392 AromaticContact ND1-CE1 3.83Å; H332-H392 AromaticContact ND1-NE2 2.96Å; H332-H392 PolarHBondContact ND1-NE2 3.48Å; S333-H392 PolarHBondContact O-N 3.39Å; D334-H392 WeakPolarHBondContact CA-O 3.42Å; D334-H392 WeakPolarHBondContact OD1-CB 3.4Å; D334-H392 IonicContact OD1-CD2 3.94Å; D334-H392 IonicContact OD1-CG 3.2Å; V335-H392 PolarHBondContact N-O 3.32Å; R370-H392 PolarHBondContact NE-CE1 3.26Å; R370-H392 VanDerWaalsContact NE-CE1 3.31Å |
| 393 | V | 96.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 79.2 Ų | 79.2 | 1% | 0.006 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 133.1 | -177.4 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | V335 I337 T365 H368 S369 L371 | V335-V393 CarbonylContact O-C 3.48Å; I337-V393 HydrophobicContact CB-CG1 4.48Å; I337-V393 HydrophobicContact CD1-CG1 3.3Å; I337-V393 HydrophobicContact CG1-CG1 3.57Å; I337-V393 HydrophobicContact CG2-CG1 4.09Å; T365-V393 HydrophobicContact CG2-CB 4.36Å; T365-V393 HydrophobicContact CG2-CG1 4.05Å; T365-V393 HydrophobicContact CG2-CG2 4.27Å; H368-V393 VanDerWaalsContact CA-O 3.24Å; H368-V393 WeakPolarHBondContact CA-O 3.46Å; H368-V393 PolarHBondContact N-O 2.72Å; S369-V393 PolarHBondContact O-N 3.02Å; L371-V393 HydrophobicContact CD1-CG2 3.84Å; L371-V393 HydrophobicContact CG-CG2 4.11Å |
| 394 | K | 96.1 | Very high | 93.3 | Very high | 122 Ų | 122 | 85.9 Ų | 85.9 | 53% | 0.53 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 122.3 | 172.1 | -174.4 | 172.2 | -176.9 | 172.4 | 0 | 109.8 | V335 T336 I337 Q396 | V335-K394 PolarHBondContact O-N 3Å; T336-K394 CarbonylContact C-O 3.6Å; T336-K394 VanDerWaalsContact CA-O 3.23Å; T336-K394 WeakPolarHBondContact CA-O 3.25Å; T336-K394 HydrophobicContact CG2-CB 4.42Å; I337-K394 PolarHBondContact N-O 3.38Å; K394-Q396 PolarHBondContact O-N 2.86Å |
| 395 | I | 96.1 | Very high | 93.5 | Very high | 38 Ų | 38 | 79 Ų | 79 | 20% | 0.195 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 123.6 | 177.7 | -56 | 175.4 | 0 | 0 | 0 | 108.9 | I337 L339 A342 S367 | I337-I395 HydrophobicContact CD1-CG1 4.47Å; I337-I395 HydrophobicContact CG1-CG1 4.25Å; L339-I395 HydrophobicContact CD1-CG2 4.32Å; A342-I395 HydrophobicContact CB-CD1 3.59Å; A342-I395 HydrophobicContact CB-CG1 3.84Å; A342-I395 HydrophobicContact CB-CG2 4.43Å; S367-I395 PolarHBondContact OG-N 3.29Å |
| 396 | Q | 94.7 | Very high | 93.5 | Very high | 125 Ų | 125 | 84.6 Ų | 84.6 | 58% | 0.584 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 106.3 | 173.8 | -175.5 | 174.6 | 4.8 | 0 | 0 | 109.8 | I337 K394 | I337-Q396 PolarHBondContact O-N 2.94Å; K394-Q396 PolarHBondContact O-N 2.86Å |
| 397 | V | 93.1 | Very high | 93.3 | Very high | 104 Ų | 104 | 79.4 Ų | 79.4 | 63% | 0.63 | 37% | 0.372 | S | S | * | . | trans | -77.9 | 126.7 | 173.8 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | K399 | V397-K399 PolarHBondContact O-N 3.24Š| ||
| 398 | P | 92.7 | Very high | 93.2 | Very high | 61 Ų | 61 | 84.2 Ų | 84.2 | 40% | 0.396 | 40% | 0.397 | S | S | . | . | trans | -64.7 | 128.5 | 178.7 | 26.4 | -34.9 | 0 | 0 | 0 | 111.3 | L401 | P398-L401 HydrophobicContact CB-CD2 4.02Å; P398-L401 HydrophobicContact CG-CD2 3.64Å | ||
| 399 | K | 93.4 | Very high | 93 | Very high | 214 Ų | 214 | 86.1 Ų | 86.1 | 93% | 0.93 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -79.6 | -24.8 | -179.7 | -65.4 | -175.9 | 177.1 | -178.5 | 0 | 114 | V397 | V397-K399 PolarHBondContact O-N 3.24Š|
| 400 | K | 93.9 | Very high | 92.8 | Very high | 192 Ų | 192 | 87.4 Ų | 87.4 | 84% | 0.835 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -127.2 | 131.7 | 179.1 | -65 | -175.8 | 179.1 | -176.5 | 0 | 107.5 | ||
| 401 | L | 90.4 | Very high | 92.4 | Very high | 58 Ų | 58 | 84.9 Ų | 84.9 | 30% | 0.304 | 41% | 0.406 | S | S | . | . | trans | -123.2 | 138.3 | 180 | -66.9 | 170.8 | 0 | 0 | 0 | 108.4 | P398 Q405 R406 L409 | P398-L401 HydrophobicContact CB-CD2 4.02Å; P398-L401 HydrophobicContact CG-CD2 3.64Å; L401-Q405 HydrophobicContact CB-CB 4.34Å; L401-Q405 HydrophobicContact CD2-CB 4.07Å; L401-R406 HydrophobicContact CB-CB 4.47Å; L401-L409 HydrophobicContact CD1-CD1 3.66Å; L401-L409 HydrophobicContact CD2-CD1 3.89Å; L401-L409 HydrophobicContact CG-CD1 4.45Å | ||
| 402 | T | 91.8 | Very high | 92.1 | Very high | 77 Ų | 77 | 90.4 Ų | 90.4 | 47% | 0.472 | 43% | 0.428 | S | S | . | . | trans | -70.4 | 159.7 | 167.1 | 66.7 | 0 | 0 | 0 | 0 | 110.2 | R404 Q405 R406 | T402-R404 PolarHBondContact O-N 2.95Å; T402-Q405 PolarHBondContact O-N 3.14Å; T402-Q405 VanDerWaalsContact OG1-CG 3.25Å; T402-Q405 WeakPolarHBondContact OG1-CG 3.28Å; T402-Q405 PolarHBondContact OG1-N 3.41Å; T402-Q405 PolarHBondContact OG1-OE1 3.38Å; T402-R406 PolarHBondContact O-N 3.21Å | ||
| 403 | D | 89.2 | Confident | 91.8 | Very high | 120 Ų | 120 | 89.4 Ų | 89.4 | 64% | 0.642 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -57.6 | -37.5 | 179.7 | -59.6 | -31.7 | 0 | 0 | 0 | 111.9 | R406 A407 | D403-R406 PolarHBondContact O-N 3.28Å; D403-A407 WeakPolarHBondContact O-CB 3.11Å; D403-A407 PolarHBondContact O-N 3.09Å |
| 404 | R | 89 | Confident | 91.4 | Very high | 200 Ų | 200 | 90.5 Ų | 90.5 | 76% | 0.755 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -64.1 | -46 | 173.8 | -65.8 | -175.1 | -177.8 | 177 | 1.5 | 112.5 | T402 R406 A407 L408 | T402-R404 PolarHBondContact O-N 2.95Å; R404-R406 VanDerWaalsContact C-N 3.33Å; R404-A407 PolarHBondContact O-N 2.85Å; R404-L408 WeakPolarHBondContact O-CG 3Å; R404-L408 PolarHBondContact O-N 2.9Å; R404-L408 VanDerWaalsContact O-N 3.08Å |
| 405 | Q | 90.7 | Very high | 90.9 | Very high | 92 Ų | 92 | 89.3 Ų | 89.3 | 43% | 0.43 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 178 | -72.9 | 169 | -19.9 | 0 | 0 | 111.8 | L401 T402 L408 L409 | L401-Q405 HydrophobicContact CB-CB 4.34Å; L401-Q405 HydrophobicContact CD2-CB 4.07Å; T402-Q405 PolarHBondContact O-N 3.14Å; T402-Q405 VanDerWaalsContact OG1-CG 3.25Å; T402-Q405 WeakPolarHBondContact OG1-CG 3.28Å; T402-Q405 PolarHBondContact OG1-N 3.41Å; T402-Q405 PolarHBondContact OG1-OE1 3.38Å; Q405-L408 PolarHBondContact O-N 2.99Å; Q405-L409 WeakPolarHBondContact O-CG 3.32Å; Q405-L409 PolarHBondContact O-N 2.66Å; Q405-L409 VanDerWaalsContact O-N 3.07Å |
| 406 | R | 90.5 | Very high | 90.5 | Very high | 139 Ų | 139 | 90.6 Ų | 90.6 | 53% | 0.525 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.5 | -49.2 | 174.9 | -174.7 | -178.6 | -59.9 | -172.7 | 5.3 | 110.7 | L401 T402 D403 R404 L408 L409 T410 | L401-R406 HydrophobicContact CB-CB 4.47Å; T402-R406 PolarHBondContact O-N 3.21Å; D403-R406 PolarHBondContact O-N 3.28Å; R404-R406 VanDerWaalsContact C-N 3.33Å; R406-L408 VanDerWaalsContact C-N 3.28Å; R406-L408 PolarHBondContact O-N 2.83Å; R406-L409 PolarHBondContact O-N 2.95Å; R406-L409 VanDerWaalsContact O-N 3.15Å; R406-T410 PolarHBondContact O-N 3.09Å; R406-T410 PolarHBondContact O-OG1 2.95Å |
| 407 | A | 89.6 | Confident | 90.1 | Very high | 6 Ų | 6 | 90.3 Ų | 90.3 | 5% | 0.05 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -57.4 | -40.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D403 R404 T410 A411 T443 I444 | D403-A407 WeakPolarHBondContact O-CB 3.11Å; D403-A407 PolarHBondContact O-N 3.09Å; R404-A407 PolarHBondContact O-N 2.85Å; A407-T410 PolarHBondContact O-N 2.74Å; A407-A411 WeakPolarHBondContact O-CB 3.31Å; A407-A411 PolarHBondContact O-N 3.32Å; A407-T443 HydrophobicContact CB-CG2 3.61Å; A407-I444 HydrophobicContact CB-CG1 3.82Å |
| 408 | L | 90.7 | Very high | 89.7 | Confident | 101 Ų | 101 | 91.9 Ų | 91.9 | 53% | 0.529 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 175.4 | -71.2 | 169.6 | 0 | 0 | 0 | 112.7 | R404 Q405 R406 A411 Y412 V447 | R404-L408 WeakPolarHBondContact O-CG 3Å; R404-L408 PolarHBondContact O-N 2.9Å; R404-L408 VanDerWaalsContact O-N 3.08Å; Q405-L408 PolarHBondContact O-N 2.99Å; R406-L408 VanDerWaalsContact C-N 3.28Å; R406-L408 PolarHBondContact O-N 2.83Å; L408-A411 PolarHBondContact O-N 3.03Å; L408-Y412 PolarHBondContact O-N 3.02Å; L408-V447 HydrophobicContact CD2-CG1 3.99Å; L408-V447 HydrophobicContact CD2-CG2 3.98Å |
| 409 | L | 91.1 | Very high | 89.3 | Confident | 66 Ų | 66 | 90.5 Ų | 90.5 | 35% | 0.346 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -69.5 | -35.7 | 178.7 | -72.6 | 170.3 | 0 | 0 | 0 | 112.2 | L339 L401 Q405 R406 Y412 A413 | L339-L409 HydrophobicContact CD2-CD2 4.05Å; L401-L409 HydrophobicContact CD1-CD1 3.66Å; L401-L409 HydrophobicContact CD2-CD1 3.89Å; L401-L409 HydrophobicContact CG-CD1 4.45Å; Q405-L409 WeakPolarHBondContact O-CG 3.32Å; Q405-L409 PolarHBondContact O-N 2.66Å; Q405-L409 VanDerWaalsContact O-N 3.07Å; R406-L409 PolarHBondContact O-N 2.95Å; R406-L409 VanDerWaalsContact O-N 3.15Å; L409-Y412 PolarHBondContact O-N 3.19Å; L409-A413 WeakPolarHBondContact O-CB 3.47Å; L409-A413 PolarHBondContact O-N 3.41Å |
| 410 | T | 90.5 | Very high | 88.8 | Confident | 27 Ų | 27 | 86.3 Ų | 86.3 | 17% | 0.166 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 173.6 | -54.8 | 0 | 0 | 0 | 0 | 111 | R406 A407 Y412 A413 E414 V426 A436 I444 | R406-T410 PolarHBondContact O-N 3.09Å; R406-T410 PolarHBondContact O-OG1 2.95Å; A407-T410 PolarHBondContact O-N 2.74Å; T410-Y412 VanDerWaalsContact C-N 3.3Å; T410-Y412 PolarHBondContact O-N 3.26Å; T410-A413 WeakPolarHBondContact O-CB 3.24Å; T410-A413 PolarHBondContact O-N 3.07Å; T410-A413 VanDerWaalsContact O-N 3.14Å; T410-E414 PolarHBondContact O-N 3.44Å; T410-E414 VanDerWaalsContact O-N 3.09Å; T410-V426 HydrophobicContact CG2-CG2 3.94Å; T410-A436 HydrophobicContact CG2-CB 3.62Å; T410-I444 HydrophobicContact CG2-CD1 3.94Å |
| 411 | A | 88.9 | Confident | 88.5 | Confident | 8 Ų | 8 | 80.5 Ų | 80.5 | 7% | 0.066 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.7 | -37.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A407 L408 E414 V447 | A407-A411 WeakPolarHBondContact O-CB 3.31Å; A407-A411 PolarHBondContact O-N 3.32Å; L408-A411 PolarHBondContact O-N 3.03Å; A411-E414 WeakPolarHBondContact O-CB 3.26Å; A411-E414 PolarHBondContact O-N 3.11Å; A411-V447 HydrophobicContact CB-CB 4.46Å; A411-V447 HydrophobicContact CB-CG1 3.66Å |
| 412 | Y | 89.8 | Confident | 88.3 | Confident | 117 Ų | 117 | 83.4 Ų | 83.4 | 46% | 0.459 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 172.3 | 179.8 | -102.3 | 0 | 0 | 0 | 112.2 | L408 L409 T410 E414 M415 E416 | L408-Y412 PolarHBondContact O-N 3.02Å; L409-Y412 PolarHBondContact O-N 3.19Å; T410-Y412 VanDerWaalsContact C-N 3.3Å; T410-Y412 PolarHBondContact O-N 3.26Å; Y412-E414 PolarHBondContact O-N 2.93Å; Y412-M415 PolarHBondContact O-N 2.99Å; Y412-E416 PolarHBondContact O-N 2.73Å; Y412-E416 VanDerWaalsContact O-N 3.07Å |
| 413 | A | 90.5 | Very high | 88.1 | Confident | 9 Ų | 9 | 82.3 Ų | 82.3 | 7% | 0.074 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -63.8 | -24.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L409 T410 M415 V423 V426 K434 | L409-A413 WeakPolarHBondContact O-CB 3.47Å; L409-A413 PolarHBondContact O-N 3.41Å; T410-A413 WeakPolarHBondContact O-CB 3.24Å; T410-A413 PolarHBondContact O-N 3.07Å; T410-A413 VanDerWaalsContact O-N 3.14Å; A413-M415 VanDerWaalsContact C-N 3.31Å; A413-V423 HydrophobicContact CB-CG1 4.17Å; A413-V423 HydrophobicContact CB-CG2 4.49Å; A413-V426 HydrophobicContact CB-CG2 4.18Å; A413-K434 WeakPolarHBondContact O-CD 3.27Å |
| 414 | E | 87.1 | Confident | 88 | Confident | 24 Ų | 24 | 86.5 Ų | 86.5 | 11% | 0.112 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -66.9 | -33.5 | 170.6 | -67 | -178.2 | 168.8 | 0 | 0 | 112.2 | T410 A411 Y412 K434 A436 R448 | T410-E414 PolarHBondContact O-N 3.44Å; T410-E414 VanDerWaalsContact O-N 3.09Å; A411-E414 WeakPolarHBondContact O-CB 3.26Å; A411-E414 PolarHBondContact O-N 3.11Å; Y412-E414 PolarHBondContact O-N 2.93Å; E414-K434 WeakPolarHBondContact CB-O 3.35Å; E414-K434 WeakPolarHBondContact CG-O 3.43Å; E414-K434 WeakPolarHBondContact O-CB 3.46Å; E414-A436 WeakPolarHBondContact OE1-CB 3.41Å; E414-A436 PolarHBondContact OE1-N 3Å; E414-R448 VanDerWaalsContact CD-NH2 3.25Å; E414-R448 IonicContact OE1-CZ 3.88Å; E414-R448 IonicContact OE1-NH2 3.9Å; E414-R448 PolarHBondContact OE1-NH2 3.22Å; E414-R448 IonicContact OE2-CZ 2.71Å; E414-R448 IonicContact OE2-NE 2.72Å; E414-R448 PolarHBondContact OE2-NE 3.17Å; E414-R448 IonicContact OE2-NH2 3.73Å; E414-R448 PolarHBondContact OE2-NH2 2.97Å |
| 415 | M | 85.8 | Confident | 87.8 | Confident | 98 Ų | 98 | 78.8 Ų | 78.8 | 48% | 0.483 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -92.6 | -12.9 | -176 | -60.2 | -176.6 | -66.4 | 0 | 0 | 113.6 | Y412 A413 S417 V451 | Y412-M415 PolarHBondContact O-N 2.99Å; A413-M415 VanDerWaalsContact C-N 3.31Å; M415-S417 PolarHBondContact O-N 2.86Å; M415-V451 HydrophobicContact SD-CG1 4.27Å |
| 416 | E | 87.8 | Confident | 87.7 | Confident | 65 Ų | 65 | 75 Ų | 75 | 30% | 0.304 | 43% | 0.426 | S | S | . | . | trans | -70 | 124.1 | -178.1 | -172 | 179 | -131.4 | 0 | 0 | 110.9 | Y412 T419 K434 | Y412-E416 PolarHBondContact O-N 2.73Å; Y412-E416 VanDerWaalsContact O-N 3.07Å; E416-T419 PolarHBondContact OE2-OG1 3.46Å; E416-K434 WeakPolarHBondContact O-CE 3.22Å; E416-K434 PolarHBondContact O-NZ 3.31Å | ||
| 417 | S | 86 | Confident | 87.5 | Confident | 119 Ų | 119 | 71.9 Ų | 71.9 | 83% | 0.832 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -82.8 | -40.6 | 179.8 | 51.9 | 0 | 0 | 0 | 0 | 113 | M415 | M415-S417 PolarHBondContact O-N 2.86Š|
| 418 | D | 84.5 | Confident | 87.2 | Confident | 137 Ų | 137 | 76.9 Ų | 76.9 | 73% | 0.733 | 45% | 0.446 | S | S | * | . | trans | -104.1 | 75.1 | -173.7 | -170 | 21 | 0 | 0 | 0 | 111.9 | ||||
| 419 | T | 83.8 | Confident | 86.9 | Confident | 32 Ų | 32 | 74 Ų | 74 | 20% | 0.196 | 43% | 0.433 | C | S | . | . | trans | -107.4 | 109.6 | 172.6 | -43.3 | 0 | 0 | 0 | 0 | 109.5 | E416 G421 V423 K434 | E416-T419 PolarHBondContact OE2-OG1 3.46Å; T419-G421 PolarHBondContact O-N 3.01Å; T419-G421 VanDerWaalsContact O-N 3.1Å; T419-V423 HydrophobicContact CG2-CG2 3.61Å; T419-K434 PolarHBondContact OG1-NZ 3.25Å | ||
| 420 | P | 83.8 | Confident | 86.5 | Confident | 126 Ų | 126 | 76.2 Ų | 76.2 | 82% | 0.818 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -70.6 | 106.9 | 169.6 | 26.9 | -31.8 | 0 | 0 | 0 | 110 | ||
| 421 | G | 86.2 | Confident | 86.1 | Confident | 70 Ų | 70 | 81.4 Ų | 81.4 | 72% | 0.722 | 49% | 0.487 | S | S | * | . | S | Bend | trans | 97.7 | -151.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T419 | T419-G421 PolarHBondContact O-N 3.01Å; T419-G421 VanDerWaalsContact O-N 3.1Å |
| 422 | S | 87.2 | Confident | 85.7 | Confident | 118 Ų | 118 | 83.6 Ų | 83.6 | 83% | 0.825 | 51% | 0.511 | S | S | * | . | trans | -110.4 | 136.5 | -177.1 | 62.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 423 | V | 88.1 | Confident | 85.3 | Confident | 54 Ų | 54 | 83 Ų | 83 | 33% | 0.327 | 52% | 0.515 | S | S | . | . | trans | -90.4 | 127.5 | 169.9 | -174.4 | 0 | 0 | 0 | 0 | 109.5 | A413 T419 G425 V426 | A413-V423 HydrophobicContact CB-CG1 4.17Å; A413-V423 HydrophobicContact CB-CG2 4.49Å; T419-V423 HydrophobicContact CG2-CG2 3.61Å; V423-G425 PolarHBondContact O-N 2.95Å; V423-V426 HydrophobicContact CB-CB 4.27Å; V423-V426 HydrophobicContact CB-CG2 4.37Å; V423-V426 HydrophobicContact CG1-CG2 4.28Å; V423-V426 PolarHBondContact O-N 3.32Å; V423-V426 VanDerWaalsContact O-N 3.12Å | ||
| 424 | K | 87.1 | Confident | 85 | Confident | 208 Ų | 208 | 84.4 Ų | 84.4 | 90% | 0.904 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 125.3 | 177.8 | -174.9 | 178.4 | -179.7 | 177.1 | 0 | 110.6 | ||
| 425 | G | 84.9 | Confident | 84.9 | Confident | 38 Ų | 38 | 86.6 Ų | 86.6 | 39% | 0.392 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 4.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V423 A436 T437 | V423-G425 PolarHBondContact O-N 2.95Å; G425-A436 CarbonylContact O-C 3.33Å; G425-A436 VanDerWaalsContact O-CA 3.28Å; G425-A436 WeakPolarHBondContact O-CA 3.48Å; G425-T437 PolarHBondContact O-N 3.39Å |
| 426 | V | 87.1 | Confident | 84.8 | Confident | 14 Ų | 14 | 83 Ų | 83 | 9% | 0.085 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 127.3 | 172.9 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | T410 A413 V423 M428 K434 L435 | T410-V426 HydrophobicContact CG2-CG2 3.94Å; A413-V426 HydrophobicContact CB-CG2 4.18Å; V423-V426 HydrophobicContact CB-CB 4.27Å; V423-V426 HydrophobicContact CB-CG2 4.37Å; V423-V426 HydrophobicContact CG1-CG2 4.28Å; V423-V426 PolarHBondContact O-N 3.32Å; V423-V426 VanDerWaalsContact O-N 3.12Å; V426-M428 HydrophobicContact CG1-CE 4.31Å; V426-K434 HydrophobicContact CG1-CB 3.73Å; V426-L435 CarbonylContact C-O 3.57Å; V426-L435 WeakPolarHBondContact CA-O 3.44Å |
| 427 | T | 86.6 | Confident | 84.6 | Confident | 72 Ų | 72 | 83.9 Ų | 83.9 | 44% | 0.442 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 146.3 | 180 | 43.1 | 0 | 0 | 0 | 0 | 110.2 | L435 T437 | T427-L435 PolarHBondContact N-O 3.25Å; T427-L435 PolarHBondContact O-N 3.27Å; T427-L435 PolarHBondContact OG1-O 3.18Å; T427-T437 WeakPolarHBondContact CG2-OG1 3.3Å |
| 428 | M | 84 | Confident | 84.3 | Confident | 111 Ų | 111 | 85.4 Ų | 85.4 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 130.6 | 171.3 | -54.3 | -62.1 | 100.6 | 0 | 0 | 109.1 | V426 N433 K434 | V426-M428 HydrophobicContact CG1-CE 4.31Å; M428-N433 CarbonylContact C-O 3.52Å; M428-N433 WeakPolarHBondContact CA-O 3.44Å; M428-K434 HydrophobicContact CE-CB 3.73Å; M428-K434 HydrophobicContact CE-CD 3.64Å; M428-K434 HydrophobicContact CE-CG 3.34Å; M428-K434 HydrophobicContact SD-CB 4.45Å; M428-K434 HydrophobicContact SD-CD 4.22Å; M428-K434 HydrophobicContact SD-CG 3.66Å |
| 429 | T | 84.3 | Confident | 84.2 | Confident | 41 Ų | 41 | 81.2 Ų | 81.2 | 25% | 0.252 | 50% | 0.499 | S | S | . | . | trans | -76.6 | 166.2 | 167.6 | 63.1 | 0 | 0 | 0 | 0 | 110.9 | D431 G432 N433 L435 | T429-D431 PolarHBondContact O-N 3.31Å; T429-D431 VanDerWaalsContact O-N 3.16Å; T429-G432 PolarHBondContact O-N 2.92Å; T429-N433 PolarHBondContact N-O 3.17Å; T429-N433 PolarHBondContact OG1-N 3.08Å; T429-N433 PolarHBondContact OG1-O 3.41Å; T429-L435 HydrophobicContact CG2-CB 4.25Å; T429-L435 HydrophobicContact CG2-CD1 3.32Å; T429-L435 HydrophobicContact CG2-CG 3.83Å | ||
| 430 | A | 82.3 | Confident | 83.7 | Confident | 112 Ų | 112 | 84.1 Ų | 84.1 | 93% | 0.926 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -28.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G432 | A430-G432 PolarHBondContact O-N 2.89Š|
| 431 | D | 81.9 | Confident | 83.4 | Confident | 136 Ų | 136 | 81.4 Ų | 81.4 | 73% | 0.727 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -1.6 | 178.4 | -48.1 | -46 | 0 | 0 | 0 | 113.4 | T429 N433 | T429-D431 PolarHBondContact O-N 3.31Å; T429-D431 VanDerWaalsContact O-N 3.16Å; D431-N433 VanDerWaalsContact C-N 3.29Å; D431-N433 PolarHBondContact O-N 3.13Å |
| 432 | G | 80.7 | Confident | 83.3 | Confident | 55 Ų | 55 | 79.3 Ų | 79.3 | 57% | 0.567 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 81.9 | 2.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T429 A430 | T429-G432 PolarHBondContact O-N 2.92Å; A430-G432 PolarHBondContact O-N 2.89Å |
| 433 | N | 82.3 | Confident | 83.2 | Confident | 103 Ų | 103 | 75.5 Ų | 75.5 | 55% | 0.551 | 46% | 0.464 | S | S | * | . | trans | -82.6 | 142.3 | 178.2 | -68.1 | -36.1 | 0 | 0 | 0 | 111.3 | M428 T429 D431 | M428-N433 CarbonylContact C-O 3.52Å; M428-N433 WeakPolarHBondContact CA-O 3.44Å; T429-N433 PolarHBondContact N-O 3.17Å; T429-N433 PolarHBondContact OG1-N 3.08Å; T429-N433 PolarHBondContact OG1-O 3.41Å; D431-N433 VanDerWaalsContact C-N 3.29Å; D431-N433 PolarHBondContact O-N 3.13Å | ||
| 434 | K | 83.1 | Confident | 83.1 | Confident | 40 Ų | 40 | 73.3 Ų | 73.3 | 17% | 0.174 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 125 | 175.1 | -49.1 | -163.2 | 166 | 161.5 | 0 | 109.3 | A413 E414 E416 T419 V426 M428 | A413-K434 WeakPolarHBondContact O-CD 3.27Å; E414-K434 WeakPolarHBondContact CB-O 3.35Å; E414-K434 WeakPolarHBondContact CG-O 3.43Å; E414-K434 WeakPolarHBondContact O-CB 3.46Å; E416-K434 WeakPolarHBondContact O-CE 3.22Å; E416-K434 PolarHBondContact O-NZ 3.31Å; T419-K434 PolarHBondContact OG1-NZ 3.25Å; V426-K434 HydrophobicContact CG1-CB 3.73Å; M428-K434 HydrophobicContact CE-CB 3.73Å; M428-K434 HydrophobicContact CE-CD 3.64Å; M428-K434 HydrophobicContact CE-CG 3.34Å; M428-K434 HydrophobicContact SD-CB 4.45Å; M428-K434 HydrophobicContact SD-CD 4.22Å; M428-K434 HydrophobicContact SD-CG 3.66Å |
| 435 | L | 85.2 | Confident | 83 | Confident | 69 Ų | 69 | 67 Ų | 67 | 36% | 0.361 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 138.9 | 176.3 | -72.4 | 179.6 | 0 | 0 | 0 | 111.7 | V426 T427 T429 | V426-L435 CarbonylContact C-O 3.57Å; V426-L435 WeakPolarHBondContact CA-O 3.44Å; T427-L435 PolarHBondContact N-O 3.25Å; T427-L435 PolarHBondContact O-N 3.27Å; T427-L435 PolarHBondContact OG1-O 3.18Å; T429-L435 HydrophobicContact CG2-CB 4.25Å; T429-L435 HydrophobicContact CG2-CD1 3.32Å; T429-L435 HydrophobicContact CG2-CG 3.83Å |
| 436 | A | 83.3 | Confident | 83.1 | Confident | 22 Ų | 22 | 74.2 Ų | 74.2 | 18% | 0.182 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 133 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T410 E414 G425 I444 | T410-A436 HydrophobicContact CG2-CB 3.62Å; E414-A436 WeakPolarHBondContact OE1-CB 3.41Å; E414-A436 PolarHBondContact OE1-N 3Å; G425-A436 CarbonylContact O-C 3.33Å; G425-A436 VanDerWaalsContact O-CA 3.28Å; G425-A436 WeakPolarHBondContact O-CA 3.48Å; A436-I444 HydrophobicContact CB-CD1 3.87Å; A436-I444 HydrophobicContact CB-CG2 4.39Å |
| 437 | T | 83.5 | Confident | 83 | Confident | 85 Ų | 85 | 74.9 Ų | 74.9 | 52% | 0.521 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -75 | -31.3 | 179.3 | -45.5 | 0 | 0 | 0 | 0 | 112.4 | G425 T427 | G425-T437 PolarHBondContact O-N 3.39Å; T427-T437 WeakPolarHBondContact CG2-OG1 3.3Å |
| 438 | E | 80.9 | Confident | 82.8 | Confident | 150 Ų | 150 | 74.8 Ų | 74.8 | 70% | 0.701 | 44% | 0.44 | S | S | * | . | trans | -131 | 134 | -174.9 | -63.6 | 176.9 | -174.6 | 0 | 0 | 110.2 | I444 | E438-I444 WeakPolarHBondContact O-CD1 3.24Š| ||
| 439 | D | 81.8 | Confident | 82.9 | Confident | 49 Ų | 49 | 77 Ų | 77 | 26% | 0.262 | 45% | 0.447 | S | S | . | . | trans | -125.5 | 74.8 | 172.7 | -172.6 | 7.8 | 0 | 0 | 0 | 111.1 | G441 G442 T443 I444 T445 | D439-G441 PolarHBondContact O-N 3.24Å; D439-G442 VanDerWaalsContact CG-CA 3.47Å; D439-G442 PolarHBondContact O-N 2.71Å; D439-G442 VanDerWaalsContact O-N 3.14Å; D439-G442 VanDerWaalsContact OD1-C 3.27Å; D439-G442 WeakPolarHBondContact OD1-CA 3.41Å; D439-G442 VanDerWaalsContact OD2-C 3.27Å; D439-G442 WeakPolarHBondContact OD2-CA 2.99Å; D439-T443 PolarHBondContact OD1-N 3.14Å; D439-I444 HydrophobicContact CB-CB 4.29Å; D439-I444 HydrophobicContact CB-CD1 4.31Å; D439-I444 WeakPolarHBondContact OD1-CB 3.43Å; D439-I444 WeakPolarHBondContact OD1-CG1 3.5Å; D439-I444 PolarHBondContact OD1-N 2.83Å; D439-I444 PolarHBondContact OD2-N 3.03Å; D439-T445 VanDerWaalsContact OD2-CB 3.26Å; D439-T445 WeakPolarHBondContact OD2-CB 3.5Å; D439-T445 PolarHBondContact OD2-N 3.03Å; D439-T445 PolarHBondContact OD2-OG1 2.82Å | ||
| 440 | P | 74 | Confident | 82.9 | Confident | 93 Ų | 93 | 77.9 Ų | 77.9 | 60% | 0.604 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -60.3 | 115.6 | 178.7 | 23.4 | -31.4 | 0 | 0 | 0 | 110.5 | T443 | P440-T443 PolarHBondContact O-OG1 2.88Š|
| 441 | G | 77 | Confident | 82.8 | Confident | 69 Ų | 69 | 75 Ų | 75 | 71% | 0.711 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | 79.7 | 10.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | D439 T443 | D439-G441 PolarHBondContact O-N 3.24Å; G441-T443 PolarHBondContact O-N 3.3Å |
| 442 | G | 83.5 | Confident | 82.5 | Confident | 26 Ų | 26 | 74.5 Ų | 74.5 | 27% | 0.268 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | 68.1 | 19.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D439 R446 | D439-G442 VanDerWaalsContact CG-CA 3.47Å; D439-G442 PolarHBondContact O-N 2.71Å; D439-G442 VanDerWaalsContact O-N 3.14Å; D439-G442 VanDerWaalsContact OD1-C 3.27Å; D439-G442 WeakPolarHBondContact OD1-CA 3.41Å; D439-G442 VanDerWaalsContact OD2-C 3.27Å; D439-G442 WeakPolarHBondContact OD2-CA 2.99Å; G442-R446 VanDerWaalsContact O-CG 3.28Å; G442-R446 WeakPolarHBondContact O-CG 3.5Å; G442-R446 PolarHBondContact O-N 2.85Å; G442-R446 VanDerWaalsContact O-N 3.11Å |
| 443 | T | 86.1 | Confident | 82.1 | Confident | 39 Ų | 39 | 75 Ų | 75 | 24% | 0.239 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -73 | -40.6 | -173.2 | -51.3 | 0 | 0 | 0 | 0 | 111 | A407 D439 P440 G441 R446 V447 | A407-T443 HydrophobicContact CB-CG2 3.61Å; D439-T443 PolarHBondContact OD1-N 3.14Å; P440-T443 PolarHBondContact O-OG1 2.88Å; G441-T443 PolarHBondContact O-N 3.3Å; T443-R446 PolarHBondContact O-N 2.94Å; T443-V447 WeakPolarHBondContact O-CG2 3.48Å; T443-V447 PolarHBondContact O-N 3.05Å |
| 444 | I | 85.7 | Confident | 81 | Confident | 7 Ų | 7 | 73.4 Ų | 73.4 | 4% | 0.036 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 177.3 | -56.9 | 174.2 | 0 | 0 | 0 | 109.5 | A407 T410 A436 E438 D439 R446 V447 R448 | A407-I444 HydrophobicContact CB-CG1 3.82Å; T410-I444 HydrophobicContact CG2-CD1 3.94Å; A436-I444 HydrophobicContact CB-CD1 3.87Å; A436-I444 HydrophobicContact CB-CG2 4.39Å; E438-I444 WeakPolarHBondContact O-CD1 3.24Å; D439-I444 HydrophobicContact CB-CB 4.29Å; D439-I444 HydrophobicContact CB-CD1 4.31Å; D439-I444 WeakPolarHBondContact OD1-CB 3.43Å; D439-I444 WeakPolarHBondContact OD1-CG1 3.5Å; D439-I444 PolarHBondContact OD1-N 2.83Å; D439-I444 PolarHBondContact OD2-N 3.03Å; I444-R446 VanDerWaalsContact C-N 3.3Å; I444-R446 PolarHBondContact O-N 2.84Å; I444-V447 WeakPolarHBondContact O-CB 3.29Å; I444-V447 PolarHBondContact O-N 3.27Å; I444-V447 VanDerWaalsContact O-N 3.14Å; I444-R448 WeakPolarHBondContact O-CB 3.29Å; I444-R448 PolarHBondContact O-N 2.6Å |
| 445 | T | 85.3 | Confident | 79.8 | Confident | 75 Ų | 75 | 77 Ų | 77 | 46% | 0.46 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 176.2 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | D439 R448 K449 | D439-T445 VanDerWaalsContact OD2-CB 3.26Å; D439-T445 WeakPolarHBondContact OD2-CB 3.5Å; D439-T445 PolarHBondContact OD2-N 3.03Å; D439-T445 PolarHBondContact OD2-OG1 2.82Å; T445-R448 PolarHBondContact O-N 3.04Å; T445-K449 WeakPolarHBondContact O-CB 3.27Å; T445-K449 PolarHBondContact O-N 2.79Å |
| 446 | R | 86.1 | Confident | 78.3 | Confident | 190 Ų | 190 | 78.6 Ų | 78.6 | 72% | 0.717 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.6 | -43 | 173.8 | -74 | 171.9 | -179.1 | -168.1 | 1 | 112.2 | G442 T443 I444 K449 A450 | G442-R446 VanDerWaalsContact O-CG 3.28Å; G442-R446 WeakPolarHBondContact O-CG 3.5Å; G442-R446 PolarHBondContact O-N 2.85Å; G442-R446 VanDerWaalsContact O-N 3.11Å; T443-R446 PolarHBondContact O-N 2.94Å; I444-R446 VanDerWaalsContact C-N 3.3Å; I444-R446 PolarHBondContact O-N 2.84Å; R446-K449 PolarHBondContact O-N 2.99Å; R446-A450 WeakPolarHBondContact O-CB 3.47Å; R446-A450 PolarHBondContact O-N 2.93Å |
| 447 | V | 84.9 | Confident | 76.9 | Confident | 28 Ų | 28 | 82.9 Ų | 82.9 | 17% | 0.17 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 175.2 | 172.5 | 0 | 0 | 0 | 0 | 110.2 | L408 A411 T443 I444 K449 A450 V451 | L408-V447 HydrophobicContact CD2-CG1 3.99Å; L408-V447 HydrophobicContact CD2-CG2 3.98Å; A411-V447 HydrophobicContact CB-CB 4.46Å; A411-V447 HydrophobicContact CB-CG1 3.66Å; T443-V447 WeakPolarHBondContact O-CG2 3.48Å; T443-V447 PolarHBondContact O-N 3.05Å; I444-V447 WeakPolarHBondContact O-CB 3.29Å; I444-V447 PolarHBondContact O-N 3.27Å; I444-V447 VanDerWaalsContact O-N 3.14Å; V447-K449 PolarHBondContact O-N 3.15Å; V447-A450 PolarHBondContact O-N 3.28Å; V447-V451 HydrophobicContact CG1-CG2 4.38Å; V447-V451 WeakPolarHBondContact O-CG2 3.39Å; V447-V451 PolarHBondContact O-N 3.14Å |
| 448 | R | 83.7 | Confident | 75.4 | Confident | 70 Ų | 70 | 86.6 Ų | 86.6 | 26% | 0.264 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -56.4 | -52.3 | 176.9 | -166.9 | 178.7 | -61.4 | 130.6 | -0.5 | 110.7 | E414 I444 T445 A450 V451 Y452 | E414-R448 VanDerWaalsContact CD-NH2 3.25Å; E414-R448 IonicContact OE1-CZ 3.88Å; E414-R448 IonicContact OE1-NH2 3.9Å; E414-R448 PolarHBondContact OE1-NH2 3.22Å; E414-R448 IonicContact OE2-CZ 2.71Å; E414-R448 IonicContact OE2-NE 2.72Å; E414-R448 PolarHBondContact OE2-NE 3.17Å; E414-R448 IonicContact OE2-NH2 3.73Å; E414-R448 PolarHBondContact OE2-NH2 2.97Å; I444-R448 WeakPolarHBondContact O-CB 3.29Å; I444-R448 PolarHBondContact O-N 2.6Å; T445-R448 PolarHBondContact O-N 3.04Å; R448-A450 VanDerWaalsContact C-N 3.27Å; R448-A450 PolarHBondContact O-N 2.98Å; R448-V451 PolarHBondContact O-N 3.46Å; R448-Y452 HydrophobicContact CG-CD2 3.49Å; R448-Y452 VanDerWaalsContact CG-CD2 3.49Å; R448-Y452 HydrophobicContact CG-CE2 3.51Å; R448-Y452 VanDerWaalsContact O-CD2 3.23Å; R448-Y452 WeakPolarHBondContact O-CD2 3.48Å; R448-Y452 PolarHBondContact O-N 2.88Å |
| 449 | K | 85.3 | Confident | 73.8 | Confident | 159 Ų | 159 | 81.2 Ų | 81.2 | 69% | 0.691 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -56.1 | -43.7 | 178 | -172.5 | 174.2 | -178.7 | 175.7 | 0 | 111.2 | T445 R446 V447 S453 | T445-K449 WeakPolarHBondContact O-CB 3.27Å; T445-K449 PolarHBondContact O-N 2.79Å; R446-K449 PolarHBondContact O-N 2.99Å; V447-K449 PolarHBondContact O-N 3.15Å; K449-S453 WeakPolarHBondContact O-CA 3.21Å; K449-S453 WeakPolarHBondContact O-CB 3.4Å; K449-S453 PolarHBondContact O-N 3.48Å; K449-S453 PolarHBondContact O-OG 2.65Å |
| 450 | A | 84.5 | Confident | 72.1 | Confident | 58 Ų | 58 | 83.8 Ų | 83.8 | 48% | 0.479 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.4 | -41.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R446 V447 R448 S453 S454 | R446-A450 WeakPolarHBondContact O-CB 3.47Å; R446-A450 PolarHBondContact O-N 2.93Å; V447-A450 PolarHBondContact O-N 3.28Å; R448-A450 VanDerWaalsContact C-N 3.27Å; R448-A450 PolarHBondContact O-N 2.98Å; A450-S453 PolarHBondContact O-OG 2.8Å; A450-S454 PolarHBondContact O-OG 3.35Å |
| 451 | V | 80.6 | Confident | 70.8 | Confident | 53 Ų | 53 | 81.7 Ų | 81.7 | 32% | 0.321 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.2 | -49 | 178.2 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | M415 V447 R448 S454 | M415-V451 HydrophobicContact SD-CG1 4.27Å; V447-V451 HydrophobicContact CG1-CG2 4.38Å; V447-V451 WeakPolarHBondContact O-CG2 3.39Å; V447-V451 PolarHBondContact O-N 3.14Å; R448-V451 PolarHBondContact O-N 3.46Å; V451-S454 PolarHBondContact O-OG 2.86Å |
| 452 | Y | 75.8 | Confident | 69.4 | Low | 125 Ų | 125 | 84.4 Ų | 84.4 | 49% | 0.49 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -76.6 | -33.4 | -177.8 | -69.7 | -74.8 | 0 | 0 | 0 | 113.4 | R448 S454 L455 | R448-Y452 HydrophobicContact CG-CD2 3.49Å; R448-Y452 VanDerWaalsContact CG-CD2 3.49Å; R448-Y452 HydrophobicContact CG-CE2 3.51Å; R448-Y452 VanDerWaalsContact O-CD2 3.23Å; R448-Y452 WeakPolarHBondContact O-CD2 3.48Å; R448-Y452 PolarHBondContact O-N 2.88Å; Y452-S454 PolarHBondContact O-N 3.47Å; Y452-S454 VanDerWaalsContact O-N 3.13Å; Y452-L455 HydrophobicContact CD1-CD1 4.1Å; Y452-L455 PolarHBondContact O-N 3.3Å; Y452-L455 VanDerWaalsContact O-N 3.08Å |
| 453 | S | 72.4 | Confident | 67.8 | Low | 64 Ų | 64 | 90.3 Ų | 90.3 | 45% | 0.448 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.5 | -16.5 | 178.3 | 67.3 | 0 | 0 | 0 | 0 | 113.7 | K449 A450 | K449-S453 WeakPolarHBondContact O-CA 3.21Å; K449-S453 WeakPolarHBondContact O-CB 3.4Å; K449-S453 PolarHBondContact O-N 3.48Å; K449-S453 PolarHBondContact O-OG 2.65Å; A450-S453 PolarHBondContact O-OG 2.8Å |
| 454 | S | 58.9 | Low | 66.3 | Low | 70 Ų | 70 | 92.7 Ų | 92.7 | 49% | 0.49 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -10.4 | 176.8 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | A450 V451 Y452 D456 | A450-S454 PolarHBondContact O-OG 3.35Å; V451-S454 PolarHBondContact O-OG 2.86Å; Y452-S454 PolarHBondContact O-N 3.47Å; Y452-S454 VanDerWaalsContact O-N 3.13Å; S454-D456 VanDerWaalsContact C-N 3.34Å |
| 455 | L | 57.4 | Low | 64.7 | Low | 116 Ų | 116 | 94.4 Ų | 94.4 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -87.1 | -4.8 | 178.3 | -68 | 170.1 | 0 | 0 | 0 | 113.2 | Y452 P457 | Y452-L455 HydrophobicContact CD1-CD1 4.1Å; Y452-L455 PolarHBondContact O-N 3.3Å; Y452-L455 VanDerWaalsContact O-N 3.08Å; L455-P457 VanDerWaalsContact C-CD 3.48Å; L455-P457 WeakPolarHBondContact O-CD 3.39Å |
| 456 | D | 52.8 | Low | 63.3 | Low | 103 Ų | 103 | 95.2 Ų | 95.2 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | trans | -94.7 | 88.4 | 169 | -61 | -35.2 | 0 | 0 | 0 | 109.4 | S454 E458 G459 | S454-D456 VanDerWaalsContact C-N 3.34Å; D456-E458 PolarHBondContact O-N 3.11Å; D456-E458 VanDerWaalsContact O-N 3.09Å; D456-G459 PolarHBondContact O-N 3.27Å; D456-G459 VanDerWaalsContact O-N 3.13Å | ||
| 457 | P | 54.6 | Low | 61.9 | Low | 111 Ų | 111 | 91.7 Ų | 91.7 | 72% | 0.721 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.4 | -20.2 | 174 | 24 | -33.1 | 0 | 0 | 0 | 112.3 | L455 | L455-P457 VanDerWaalsContact C-CD 3.48Å; L455-P457 WeakPolarHBondContact O-CD 3.39Å |
| 458 | E | 52.4 | Low | 60.6 | Low | 164 Ų | 164 | 94.3 Ų | 94.3 | 77% | 0.766 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -77.5 | -18.8 | 179.8 | -60.7 | -173.3 | 163.2 | 0 | 0 | 113.2 | D456 Q462 | D456-E458 PolarHBondContact O-N 3.11Å; D456-E458 VanDerWaalsContact O-N 3.09Å; E458-Q462 PolarHBondContact O-OE1 3.45Å; E458-Q462 VanDerWaalsContact O-OE1 3.08Å |
| 459 | G | 46.3 | Very low | 59.3 | Low | 36 Ų | 36 | 95.8 Ų | 95.8 | 37% | 0.371 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -92.9 | -24 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | D456 | D456-G459 PolarHBondContact O-N 3.27Å; D456-G459 VanDerWaalsContact O-N 3.13Å |
| 460 | M | 47 | Very low | 58 | Low | 104 Ų | 104 | 95.7 Ų | 95.7 | 51% | 0.512 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -93.6 | -25.8 | -178.5 | -86.4 | -175.6 | -69.1 | 0 | 0 | 113.6 | V464 | M460-V464 WeakPolarHBondContact O-CG2 3.49Å; M460-V464 PolarHBondContact O-N 3.38Å |
| 461 | G | 45.5 | Very low | 56.7 | Low | 49 Ų | 49 | 100 Ų | 100 | 51% | 0.505 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A465 | G461-A465 WeakPolarHBondContact O-CB 3.48Å; G461-A465 PolarHBondContact O-N 3.04Å; G461-A465 VanDerWaalsContact O-N 3.15Å |
| 462 | Q | 49.1 | Very low | 55.5 | Low | 125 Ų | 125 | 104.6 Ų | 104.6 | 58% | 0.584 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.5 | -46.4 | 177.2 | -108.3 | 89.3 | 9.3 | 0 | 0 | 112.7 | E458 V464 A465 D466 | E458-Q462 PolarHBondContact O-OE1 3.45Å; E458-Q462 VanDerWaalsContact O-OE1 3.08Å; Q462-V464 VanDerWaalsContact C-N 3.32Å; Q462-V464 PolarHBondContact O-N 3.29Å; Q462-A465 PolarHBondContact O-N 3.1Å; Q462-D466 WeakPolarHBondContact O-CB 3.43Å; Q462-D466 PolarHBondContact O-N 3.23Å |
| 463 | K | 50 | Low | 54.5 | Low | 151 Ų | 151 | 104 Ų | 104 | 66% | 0.657 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.9 | -22.1 | -175 | -74.1 | -177.4 | 178.8 | 172.7 | 0 | 114.8 | N467 | K463-N467 PolarHBondContact O-ND2 2.97Å |
| 464 | V | 53.4 | Low | 53.4 | Low | 89 Ų | 89 | 108.4 Ų | 108.4 | 54% | 0.539 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -84.9 | -33.2 | 172.4 | 179 | 0 | 0 | 0 | 0 | 110.5 | M460 Q462 I468 | M460-V464 WeakPolarHBondContact O-CG2 3.49Å; M460-V464 PolarHBondContact O-N 3.38Å; Q462-V464 VanDerWaalsContact C-N 3.32Å; Q462-V464 PolarHBondContact O-N 3.29Å; V464-I468 HydrophobicContact CG1-CD1 3.81Å; V464-I468 WeakPolarHBondContact O-CD1 3.4Å; V464-I468 VanDerWaalsContact O-CG1 3.22Å; V464-I468 WeakPolarHBondContact O-CG1 3.49Å; V464-I468 PolarHBondContact O-N 2.94Å |
| 465 | A | 52.6 | Low | 53 | Low | 43 Ų | 43 | 115 Ų | 115 | 36% | 0.355 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.5 | -44.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G461 Q462 N467 I468 D469 | G461-A465 WeakPolarHBondContact O-CB 3.48Å; G461-A465 PolarHBondContact O-N 3.04Å; G461-A465 VanDerWaalsContact O-N 3.15Å; Q462-A465 PolarHBondContact O-N 3.1Å; A465-N467 PolarHBondContact O-N 3.34Å; A465-I468 PolarHBondContact O-N 3.24Å; A465-D469 PolarHBondContact O-N 2.9Å |
| 466 | D | 56 | Low | 52.7 | Low | 92 Ų | 92 | 114.9 Ų | 114.9 | 49% | 0.492 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.4 | -22.9 | -178.9 | -63.6 | -22.9 | 0 | 0 | 0 | 113.2 | Q462 H470 | Q462-D466 WeakPolarHBondContact O-CB 3.43Å; Q462-D466 PolarHBondContact O-N 3.23Å; D466-H470 PolarHBondContact O-CD2 3.47Å; D466-H470 VanDerWaalsContact O-CD2 3.31Å |
| 467 | N | 55.8 | Low | 52.7 | Low | 115 Ų | 115 | 115.5 Ų | 115.5 | 62% | 0.615 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -91.7 | -10.6 | 175.5 | -76.9 | -54.9 | 0 | 0 | 0 | 113.7 | K463 A465 | K463-N467 PolarHBondContact O-ND2 2.97Å; A465-N467 PolarHBondContact O-N 3.34Å |
| 468 | I | 57.9 | Low | 52.6 | Low | 83 Ų | 83 | 115.8 Ų | 115.8 | 43% | 0.426 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -95 | -27.2 | 177.4 | -69.6 | 169.4 | 0 | 0 | 0 | 111.1 | V464 A465 L471 | V464-I468 HydrophobicContact CG1-CD1 3.81Å; V464-I468 WeakPolarHBondContact O-CD1 3.4Å; V464-I468 VanDerWaalsContact O-CG1 3.22Å; V464-I468 WeakPolarHBondContact O-CG1 3.49Å; V464-I468 PolarHBondContact O-N 2.94Å; A465-I468 PolarHBondContact O-N 3.24Å; I468-L471 PolarHBondContact O-N 3.48Å |
| 469 | D | 56.4 | Low | 52.6 | Low | 101 Ų | 101 | 112.9 Ų | 112.9 | 54% | 0.54 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | -79.6 | -15.2 | -179.3 | -73.8 | -19.8 | 0 | 0 | 0 | 114.1 | A465 L471 | A465-D469 PolarHBondContact O-N 2.9Å; D469-L471 VanDerWaalsContact C-N 3.33Å |
| 470 | H | 59.1 | Low | 53 | Low | 158 Ų | 158 | 117.8 Ų | 117.8 | 73% | 0.731 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -85.8 | 1.1 | 170.5 | -71.9 | -52 | 0 | 0 | 0 | 114.6 | D466 | D466-H470 PolarHBondContact O-CD2 3.47Å; D466-H470 VanDerWaalsContact O-CD2 3.31Å |
| 471 | L | 56.5 | Low | 53.4 | Low | 148 Ų | 148 | 118.7 Ų | 118.7 | 78% | 0.775 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -111.7 | 7.8 | 179.2 | -73.3 | 166.2 | 0 | 0 | 0 | 113.4 | I468 D469 | I468-L471 PolarHBondContact O-N 3.48Å; D469-L471 VanDerWaalsContact C-N 3.33Å |
| 472 | K | 56.5 | Low | 54 | Low | 149 Ų | 149 | 123.6 Ų | 123.6 | 65% | 0.648 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -109.4 | 15.6 | -175.8 | -75.8 | -178.2 | -177.2 | 163.2 | 0 | 115.4 | ||
| 473 | T | 54.2 | Low | 54.4 | Low | 112 Ų | 112 | 123.5 Ų | 123.5 | 69% | 0.687 | 66% | 0.66 | S | S | * | * | trans | -124.7 | 15 | -178.4 | 44.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 474 | D | 48.9 | Very low | 54.7 | Low | 158 Ų | 158 | 121.3 Ų | 121.3 | 85% | 0.845 | 66% | 0.66 | S | S | * | * | trans | -111.3 | 74.8 | 172.2 | -68.8 | -19.4 | 0 | 0 | 0 | 110.3 | ||||
| 475 | T | 49.8 | Very low | 54.9 | Low | 207 Ų | 207 | 124.2 Ų | 124.2 | 100% | 1.27 | 67% | 0.671 | S | S | * | * | trans | -152.9 | 0 | 159.4 | -27.7 | 0 | 0 | 0 | 0 | 106.8 |
Retrieved 475 of 475 residues in 115.1 ms
(Link to these results)