| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.9 | Very low | 35.2 | Very low | 251 Ų | 251 | 179.4 Ų | 179.4 | 100% | 1.236 | 88% | 0.876 | S | S | * | * | 0 | 123.4 | 0 | -89.2 | 171.6 | 166.1 | 0 | 0 | 108.2 | |||||
| 2 | A | 38.8 | Very low | 35.1 | Very low | 101 Ų | 101 | 181.3 Ų | 181.3 | 84% | 0.835 | 88% | 0.877 | S | S | * | * | trans | -89.4 | 145.7 | -158.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 3 | V | 36.3 | Very low | 35.1 | Very low | 139 Ų | 139 | 177.7 Ų | 177.7 | 84% | 0.842 | 87% | 0.872 | S | S | * | * | trans | -72.4 | 126.2 | 173.2 | 179.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 4 | R | 36 | Very low | 34.7 | Very low | 245 Ų | 245 | 173.8 Ų | 173.8 | 93% | 0.925 | 87% | 0.869 | S | S | * | * | trans | -101.9 | 105.8 | 174.4 | -76.3 | -172.4 | 174.1 | 160.1 | -0.4 | 111.2 | ||||
| 5 | R | 32.6 | Very low | 34.5 | Very low | 223 Ų | 223 | 174.7 Ų | 174.7 | 84% | 0.842 | 87% | 0.87 | S | S | * | * | trans | -71 | 123.9 | 162.7 | -77.1 | 175.6 | 164.7 | 177.1 | -5.1 | 109.5 | ||||
| 6 | G | 33.7 | Very low | 34.6 | Very low | 79 Ų | 79 | 172.2 Ų | 172.2 | 81% | 0.814 | 87% | 0.866 | S | S | * | * | trans | -89.4 | 107.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 7 | H | 33.3 | Very low | 34.4 | Very low | 169 Ų | 169 | 172.3 Ų | 172.3 | 78% | 0.782 | 86% | 0.863 | S | S | * | * | trans | -73 | 127.3 | 174.3 | -91 | -105.9 | 0 | 0 | 0 | 111.5 | ||||
| 8 | I | 35.4 | Very low | 34.3 | Very low | 138 Ų | 138 | 169.8 Ų | 169.8 | 71% | 0.708 | 86% | 0.861 | S | S | * | * | trans | -73.8 | 126 | 166 | -66.3 | 169.4 | 0 | 0 | 0 | 108 | Y10 | I8-Y10 HydrophobicContact CG2-CE2 4.28Š| ||
| 9 | R | 35.9 | Very low | 34.3 | Very low | 240 Ų | 240 | 168.3 Ų | 168.3 | 91% | 0.906 | 86% | 0.861 | S | S | * | * | trans | -83.3 | 114.1 | 176.8 | -65.5 | -173.8 | -175.6 | -163.6 | 1.7 | 109.3 | ||||
| 10 | Y | 30.3 | Very low | 34.1 | Very low | 213 Ų | 213 | 170 Ų | 170 | 84% | 0.835 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 127.4 | 164.5 | -76 | -93.8 | 0 | 0 | 0 | 109.2 | I8 | I8-Y10 HydrophobicContact CG2-CE2 4.28Š|
| 11 | L | 33 | Very low | 34 | Very low | 175 Ų | 175 | 165.4 Ų | 165.4 | 92% | 0.916 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 144.7 | 170.1 | -104.2 | 122.5 | 0 | 0 | 0 | 110.3 | ||
| 12 | K | 34.7 | Very low | 33.5 | Very low | 203 Ų | 203 | 162.5 Ų | 162.5 | 88% | 0.883 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 128.9 | -162.5 | -150.7 | 170.9 | -178.3 | 178.5 | 0 | 111.3 | ||
| 13 | V | 34.2 | Very low | 33.3 | Very low | 134 Ų | 134 | 163.6 Ų | 163.6 | 81% | 0.812 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 135.2 | 168.4 | 175.5 | 0 | 0 | 0 | 0 | 108.9 | ||
| 14 | C | 30 | Very low | 33.1 | Very low | 123 Ų | 123 | 168.5 Ų | 168.5 | 83% | 0.831 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 117.3 | 175 | -145.1 | 0 | 0 | 0 | 0 | 108.4 | ||
| 15 | E | 31.4 | Very low | 32.7 | Very low | 188 Ų | 188 | 163.8 Ų | 163.8 | 88% | 0.879 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 122.3 | 179.9 | -163.6 | 173.5 | -163.9 | 0 | 0 | 108.2 | ||
| 16 | V | 35.8 | Very low | 32.6 | Very low | 134 Ų | 134 | 159.9 Ų | 159.9 | 81% | 0.812 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 117.5 | 179.3 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | ||
| 17 | Q | 31 | Very low | 32.4 | Very low | 174 Ų | 174 | 164.7 Ų | 164.7 | 81% | 0.813 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 146.2 | 176.6 | -65.7 | -179.4 | 26 | 0 | 0 | 111.6 | ||
| 18 | P | 33.7 | Very low | 32.3 | Very low | 127 Ų | 127 | 164.9 Ų | 164.9 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 132.6 | 170.9 | 32.6 | -29.4 | 0 | 0 | 0 | 111.7 | ||
| 19 | T | 34.1 | Very low | 32 | Very low | 141 Ų | 141 | 163.1 Ų | 163.1 | 87% | 0.865 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 128.8 | 173.1 | 49.2 | 0 | 0 | 0 | 0 | 111.4 | ||
| 20 | Q | 30.4 | Very low | 31.8 | Very low | 203 Ų | 203 | 156.2 Ų | 156.2 | 95% | 0.949 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 151.6 | 171.7 | -71.2 | 177.1 | -17.3 | 0 | 0 | 112.4 | ||
| 21 | G | 30.7 | Very low | 31.8 | Very low | 74 Ų | 74 | 156.1 Ų | 156.1 | 76% | 0.763 | 84% | 0.836 | S | S | * | * | trans | -173.1 | 90.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 22 | E | 32.2 | Very low | 31.4 | Very low | 190 Ų | 190 | 151.7 Ų | 151.7 | 89% | 0.888 | 83% | 0.833 | S | S | * | * | trans | 49.3 | 136.9 | 148.8 | -88.1 | 175 | 102.9 | 0 | 0 | 124.9 | ||||
| 23 | V | 35 | Very low | 31.2 | Very low | 124 Ų | 124 | 147.1 Ų | 147.1 | 75% | 0.752 | 83% | 0.833 | S | S | * | * | trans | -93 | 145.7 | -179.6 | -150.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 24 | R | 31.7 | Very low | 31.3 | Very low | 241 Ų | 241 | 145.3 Ų | 145.3 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | trans | -154.7 | 117.8 | 150.7 | -103 | 172.6 | -165.5 | -166.2 | 2.3 | 111.6 | ||||
| 25 | D | 28.4 | Very low | 31.4 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 78% | 0.781 | 83% | 0.833 | S | S | * | * | trans | -66.7 | 146 | 171.3 | -76.3 | -77.1 | 0 | 0 | 0 | 113.3 | ||||
| 26 | T | 29.5 | Very low | 31.3 | Very low | 142 Ų | 142 | 145.2 Ų | 145.2 | 87% | 0.871 | 83% | 0.826 | S | S | * | * | trans | -155.3 | 120.3 | 139.4 | -18.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 27 | Q | 30 | Very low | 30.9 | Very low | 180 Ų | 180 | 145.9 Ų | 145.9 | 84% | 0.841 | 82% | 0.82 | S | S | * | * | trans | -69 | 150.4 | 168.5 | -69.7 | -178.8 | -35.8 | 0 | 0 | 111.4 | ||||
| 28 | I | 31 | Very low | 30.9 | Very low | 172 Ų | 172 | 144 Ų | 144 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | trans | -162.2 | 141.1 | 134.7 | -90.3 | 144 | 0 | 0 | 0 | 109.2 | ||||
| 29 | S | 28.5 | Very low | 30.7 | Very low | 102 Ų | 102 | 148.1 Ų | 148.1 | 71% | 0.713 | 82% | 0.816 | S | S | * | * | trans | -87.8 | 151.6 | -168.4 | 179 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 30 | S | 31.4 | Very low | 30.6 | Very low | 94 Ų | 94 | 147.3 Ų | 147.3 | 66% | 0.657 | 81% | 0.806 | S | S | * | * | 145 | 136.4 | 110 | 66.6 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 31 | K | 30.6 | Very low | 30.6 | Very low | 212 Ų | 212 | 144.7 Ų | 144.7 | 92% | 0.922 | 80% | 0.799 | S | S | * | * | trans | 65.6 | 122.7 | 149.6 | -67 | 170 | 177.3 | -177.2 | 0 | 117.8 | ||||
| 32 | G | 26 | Very low | 30.5 | Very low | 82 Ų | 82 | 144.7 Ų | 144.7 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | 130.3 | 149.5 | 54.9 | 0 | 0 | 0 | 0 | 0 | 105.3 | |||||
| 33 | A | 29.7 | Very low | 30.4 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | cis | -159.1 | 159 | 14.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 34 | A | 35.7 | Very low | 30.6 | Very low | 96 Ų | 96 | 145.1 Ų | 145.1 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | -102.7 | 133.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 35 | V | 31.8 | Very low | 30.6 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -168.7 | 143.6 | 157.3 | -165.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 36 | K | 29.7 | Very low | 30.8 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 73% | 0.726 | 79% | 0.789 | S | S | * | * | cis | -175.9 | 127.9 | -26.6 | -177.3 | 179.2 | 179 | -169.1 | 0 | 105.4 | ||||
| 37 | E | 28.8 | Very low | 31.3 | Very low | 148 Ų | 148 | 141 Ų | 141 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | trans | 36.2 | 133.1 | 143.6 | -57.9 | -177.5 | 125 | 0 | 0 | 125.1 | ||||
| 38 | L | 30.4 | Very low | 31.8 | Very low | 136 Ų | 136 | 140.4 Ų | 140.4 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | 80.8 | 117.3 | 129.7 | -68.9 | 162.4 | 0 | 0 | 0 | 122.2 | |||||
| 39 | Y | 29.5 | Very low | 32.4 | Very low | 212 Ų | 212 | 140.8 Ų | 140.8 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | 173.4 | 108.2 | 108.2 | -96.7 | -83.4 | 0 | 0 | 0 | 107.6 | |||||
| 40 | D | 30.9 | Very low | 33.3 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 67% | 0.668 | 78% | 0.775 | S | S | * | * | 70.9 | 106.4 | 95.9 | -163.4 | 29.7 | 0 | 0 | 0 | 115.6 | |||||
| 41 | N | 30.8 | Very low | 34.1 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | 166.2 | 98.3 | 130 | -84.2 | -40.3 | 0 | 0 | 0 | 112.7 | |||||
| 42 | G | 29.3 | Very low | 35.3 | Very low | 73 Ų | 73 | 136.7 Ų | 136.7 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | trans | 57.6 | 104.6 | 136.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 43 | F | 29.8 | Very low | 36.7 | Very low | 204 Ų | 204 | 138.5 Ų | 138.5 | 90% | 0.895 | 74% | 0.741 | S | S | * | * | -166.7 | 118.2 | 109.4 | -135.7 | -104.8 | 0 | 0 | 0 | 109.5 | E45 | F43-E45 PolarHBondContact O-N 3.46Š| |||
| 44 | T | 39.4 | Very low | 38.7 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | trans | -73.1 | 108.4 | 174.8 | 45.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 45 | E | 31.2 | Very low | 40.9 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 79% | 0.785 | 70% | 0.702 | S | S | * | * | trans | -104.7 | 79.7 | 148 | -96.9 | -179.5 | 106.9 | 0 | 0 | 107 | F43 M47 | F43-E45 PolarHBondContact O-N 3.46Å; E45-M47 PolarHBondContact O-N 2.76Å | ||
| 46 | T | 32.3 | Very low | 43.8 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 71% | 0.712 | 67% | 0.671 | S | S | * | * | trans | -60.5 | 94.8 | 159 | -53.1 | 0 | 0 | 0 | 0 | 105.8 | M48 | T46-M48 VanDerWaalsContact C-N 3.3Å; T46-M48 PolarHBondContact O-N 2.64Å | ||
| 47 | M | 40.3 | Very low | 46.8 | Very low | 158 Ų | 158 | 126.2 Ų | 126.2 | 78% | 0.778 | 65% | 0.653 | S | S | * | * | trans | -56.3 | 101.9 | 164.6 | -67.5 | -171.9 | 173.2 | 0 | 0 | 106 | E45 E49 | E45-M47 PolarHBondContact O-N 2.76Å; M47-E49 PolarHBondContact O-N 2.73Å | ||
| 48 | M | 40.3 | Very low | 50 | Low | 167 Ų | 167 | 119.2 Ų | 119.2 | 82% | 0.823 | 62% | 0.62 | S | S | * | * | trans | -65.2 | 86.1 | 166 | -73.3 | -179.2 | -177.2 | 0 | 0 | 106.8 | T46 E50 | T46-M48 VanDerWaalsContact C-N 3.3Å; T46-M48 PolarHBondContact O-N 2.64Å; M48-E50 PolarHBondContact O-N 3.02Å | ||
| 49 | E | 45 | Very low | 53 | Low | 180 Ų | 180 | 114.1 Ų | 114.1 | 84% | 0.841 | 59% | 0.593 | S | S | * | * | trans | -62.9 | 94.1 | 147.3 | -66.9 | -172.6 | 172 | 0 | 0 | 105.1 | M47 D51 | M47-E49 PolarHBondContact O-N 2.73Å; E49-D51 PolarHBondContact O-N 3.05Å | ||
| 50 | E | 47.4 | Very low | 56.1 | Low | 123 Ų | 123 | 104 Ų | 104 | 58% | 0.575 | 55% | 0.553 | S | S | * | * | trans | -57.6 | 104.6 | 173.1 | -72.7 | -173.5 | 161.7 | 0 | 0 | 108.3 | M48 D52 R55 | M48-E50 PolarHBondContact O-N 3.02Å; E50-D52 PolarHBondContact O-N 2.66Å; E50-R55 IonicContact OE2-NH2 3.77Å | ||
| 51 | D | 47.5 | Very low | 59.1 | Low | 114 Ų | 114 | 99.9 Ų | 99.9 | 61% | 0.61 | 53% | 0.532 | S | S | * | . | trans | -35.3 | 105.7 | 170.5 | -145.5 | -108.4 | 0 | 0 | 0 | 110.4 | E49 D53 | E49-D51 PolarHBondContact O-N 3.05Å; D51-D53 PolarHBondContact O-N 3.47Å | ||
| 52 | D | 55.2 | Low | 61.9 | Low | 85 Ų | 85 | 97.5 Ų | 97.5 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -63.8 | -18.7 | -178.5 | -163.1 | 46.5 | 0 | 0 | 0 | 111.6 | E50 S54 R55 H107 | E50-D52 PolarHBondContact O-N 2.66Å; D52-S54 VanDerWaalsContact C-N 3.27Å; D52-S54 PolarHBondContact O-N 3.19Å; D52-R55 PolarHBondContact O-N 3.47Å; D52-R55 WeakPolarHBondContact OD1-CD 3.48Å; D52-R55 IonicContact OD1-CZ 3.87Å; D52-R55 VanDerWaalsContact OD1-CZ 3.27Å; D52-R55 IonicContact OD1-NE 3.59Å; D52-R55 IonicContact OD1-NH1 3.71Å; D52-R55 PolarHBondContact OD1-NH1 3.45Å; D52-H107 PolarHBondContact O-CE1 3.47Å; D52-H107 VanDerWaalsContact O-CE1 3.28Å |
| 53 | D | 56 | Low | 64.9 | Low | 121 Ų | 121 | 94 Ų | 94 | 65% | 0.647 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -74.4 | -1.1 | -171.2 | -92.5 | -17.9 | 0 | 0 | 0 | 115.5 | D51 H107 | D51-D53 PolarHBondContact O-N 3.47Å; D53-H107 PolarHBondContact O-CD2 2.76Å |
| 54 | S | 71.3 | Confident | 67.8 | Low | 83 Ų | 83 | 84.6 Ų | 84.6 | 58% | 0.58 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -119.6 | 3.1 | 177.9 | 66.3 | 0 | 0 | 0 | 0 | 114.6 | D52 T56 | D52-S54 VanDerWaalsContact C-N 3.27Å; D52-S54 PolarHBondContact O-N 3.19Å; S54-T56 PolarHBondContact O-N 3.29Å; S54-T56 VanDerWaalsContact O-N 3.13Å |
| 55 | R | 82.5 | Confident | 70.1 | Confident | 71 Ų | 71 | 85.2 Ų | 85.2 | 27% | 0.268 | 43% | 0.43 | S | S | . | . | trans | -70.2 | 113 | -176.1 | -66.9 | -176.8 | 177 | 156.1 | 4 | 110.8 | E50 D52 H107 F131 | E50-R55 IonicContact OE2-NH2 3.77Å; D52-R55 PolarHBondContact O-N 3.47Å; D52-R55 WeakPolarHBondContact OD1-CD 3.48Å; D52-R55 IonicContact OD1-CZ 3.87Å; D52-R55 VanDerWaalsContact OD1-CZ 3.27Å; D52-R55 IonicContact OD1-NE 3.59Å; D52-R55 IonicContact OD1-NH1 3.71Å; D52-R55 PolarHBondContact OD1-NH1 3.45Å; R55-H107 PolarHBondContact N-ND1 3.25Å; R55-H107 PolarHBondContact O-ND1 2.66Å; R55-F131 HydrophobicContact CB-CD1 3.56Å; R55-F131 HydrophobicContact CB-CE1 3.91Å; R55-F131 HydrophobicContact CB-CG 4.1Å; R55-F131 WeakPolarHBondContact O-CE1 3.23Å | ||
| 56 | T | 91.9 | Very high | 72.9 | Confident | 35 Ų | 35 | 81 Ų | 81 | 22% | 0.215 | 42% | 0.419 | C | S | . | . | trans | -104.1 | -12.8 | 177.7 | 54 | 0 | 0 | 0 | 0 | 113.8 | S54 N103 F104 H107 | S54-T56 PolarHBondContact O-N 3.29Å; S54-T56 VanDerWaalsContact O-N 3.13Å; T56-N103 PolarHBondContact O-OD1 3.24Å; T56-N103 PolarHBondContact OG1-OD1 3.16Å; T56-F104 VanDerWaalsContact CB-O 3.24Å; T56-F104 WeakPolarHBondContact CB-O 3.31Å; T56-F104 PolarHBondContact O-N 3.02Å; T56-H107 HydrophobicContact CG2-CB 4.31Å | ||
| 57 | N | 93.9 | Very high | 75.7 | Confident | 64 Ų | 64 | 76.1 Ų | 76.1 | 34% | 0.342 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128.2 | -176.2 | -167.7 | 5.6 | 0 | 0 | 0 | 110.9 | N103 A132 | N57-N103 WeakPolarHBondContact CA-OD1 3.25Å; N57-N103 VanDerWaalsContact CB-OD1 3.29Å; N57-N103 WeakPolarHBondContact CB-OD1 3.35Å; N57-N103 PolarHBondContact N-OD1 3.42Å; N57-N103 VanDerWaalsContact N-OD1 3.11Å; N57-A132 HydrophobicContact CB-CB 4.04Å; N57-A132 WeakPolarHBondContact O-CB 3.38Å; N57-A132 PolarHBondContact O-N 2.94Å |
| 58 | L | 94.9 | Very high | 78.2 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 144.5 | 179.6 | -56.7 | -171.9 | 0 | 0 | 0 | 110.9 | F76 F101 V102 F104 A110 A113 I114 V129 S130 F131 | L58-F76 HydrophobicContact CD1-CE1 4.22Å; L58-F101 CarbonylContact O-C 3.54Å; L58-F101 WeakPolarHBondContact O-CA 3.25Å; L58-V102 WeakPolarHBondContact CB-O 3.4Å; L58-V102 PolarHBondContact N-O 3.11Å; L58-V102 PolarHBondContact O-N 3.31Å; L58-F104 HydrophobicContact CD1-CD2 4.06Å; L58-F104 HydrophobicContact CD1-CE2 3.69Å; L58-F104 HydrophobicContact CG-CD2 4.37Å; L58-F104 HydrophobicContact CG-CE2 4.42Å; L58-A110 HydrophobicContact CD1-CB 4.34Å; L58-A110 HydrophobicContact CD2-CB 4.02Å; L58-A110 HydrophobicContact CG-CB 4.19Å; L58-A113 HydrophobicContact CD1-CB 3.88Å; L58-I114 HydrophobicContact CD1-CG1 4.14Å; L58-I114 HydrophobicContact CD2-CD1 3.64Å; L58-I114 HydrophobicContact CD2-CG1 3.8Å; L58-V129 HydrophobicContact CB-CG1 4.37Å; L58-V129 HydrophobicContact CD1-CG1 3.82Å; L58-S130 CarbonylContact C-O 3.48Å; L58-S130 WeakPolarHBondContact CA-O 3.34Å; L58-F131 HydrophobicContact CD2-CD1 3.51Å; L58-F131 HydrophobicContact CD2-CE1 3.82Å; L58-F131 HydrophobicContact CD2-CG 4.28Å |
| 59 | I | 94.1 | Very high | 80.6 | Confident | 29 Ų | 29 | 66.2 Ų | 66.2 | 15% | 0.149 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 132.9 | 165 | -172.3 | 172.4 | 0 | 0 | 0 | 109.2 | Y99 F101 S130 A132 | I59-Y99 HydrophobicContact CD1-CD2 4.33Å; I59-F101 HydrophobicContact CB-CD1 4.1Å; I59-F101 HydrophobicContact CB-CE1 3.94Å; I59-F101 HydrophobicContact CD1-CE1 3.88Å; I59-F101 HydrophobicContact CD1-CZ 4.01Å; I59-F101 HydrophobicContact CG1-CD1 4.27Å; I59-F101 HydrophobicContact CG1-CE1 3.88Å; I59-F101 HydrophobicContact CG1-CZ 4.31Å; I59-S130 WeakPolarHBondContact CG2-OG 3.39Å; I59-S130 PolarHBondContact N-O 3.34Å; I59-S130 PolarHBondContact O-N 2.79Å; I59-S130 VanDerWaalsContact O-N 3.13Å; I59-A132 HydrophobicContact CB-CB 4.21Å |
| 60 | V | 94.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 108.7 | 179.1 | -168.2 | 0 | 0 | 0 | 0 | 108.3 | L63 L72 F76 Y99 G100 V102 I127 K128 V129 | V60-L63 HydrophobicContact CB-CD1 4.37Å; V60-L63 HydrophobicContact CB-CD2 4.35Å; V60-L63 HydrophobicContact CB-CG 4.46Å; V60-L63 HydrophobicContact CG1-CD1 4.34Å; V60-L63 HydrophobicContact CG1-CD2 3.45Å; V60-L63 VanDerWaalsContact CG1-CD2 3.45Å; V60-L63 HydrophobicContact CG1-CG 3.99Å; V60-L72 HydrophobicContact CB-CD1 4.5Å; V60-L72 HydrophobicContact CG1-CD1 4.47Å; V60-L72 HydrophobicContact CG2-CD1 4.39Å; V60-F76 HydrophobicContact CB-CZ 4.3Å; V60-F76 HydrophobicContact CG1-CE2 4.24Å; V60-F76 HydrophobicContact CG1-CZ 4.01Å; V60-F76 HydrophobicContact CG2-CE1 3.94Å; V60-F76 HydrophobicContact CG2-CE2 3.79Å; V60-F76 HydrophobicContact CG2-CZ 3.29Å; V60-Y99 CarbonylContact O-C 3.58Å; V60-Y99 WeakPolarHBondContact O-CA 3.37Å; V60-Y99 VanDerWaalsContact O-CB 3.29Å; V60-Y99 WeakPolarHBondContact O-CB 3.44Å; V60-G100 PolarHBondContact N-O 3.49Å; V60-G100 PolarHBondContact O-N 2.81Å; V60-V102 HydrophobicContact CG2-CG2 4.1Å; V60-I127 HydrophobicContact CG1-CB 4.32Å; V60-I127 HydrophobicContact CG1-CD1 4.24Å; V60-K128 CarbonylContact C-O 3.6Å; V60-K128 WeakPolarHBondContact CA-O 3.22Å; V60-V129 HydrophobicContact CG1-CG2 4.21Å |
| 61 | N | 92.4 | Very high | 85.2 | Confident | 39 Ų | 39 | 62.2 Ų | 62.2 | 21% | 0.209 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 159.6 | -179.7 | -66.7 | -74.7 | 0 | 0 | 0 | 111.5 | L63 I127 K128 | N61-L63 VanDerWaalsContact C-N 3.32Å; N61-L63 PolarHBondContact O-N 2.82Å; N61-I127 WeakPolarHBondContact O-CA 3.41Å; N61-K128 HydrophobicContact CB-CB 4.33Å; N61-K128 PolarHBondContact N-O 2.87Å; N61-K128 PolarHBondContact O-N 3.45Å |
| 62 | Y | 91 | Very high | 87.4 | Confident | 98 Ų | 98 | 56.8 Ų | 56.8 | 38% | 0.384 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 63.6 | 33.4 | 177.7 | -45 | -68.4 | 0 | 0 | 0 | 114.2 | G98 K125 T126 K128 | Y62-G98 CarbonylContact C-O 3.56Å; Y62-G98 PolarHBondContact N-O 2.98Å; Y62-K125 VanDerWaalsContact O-CB 3.24Å; Y62-K125 WeakPolarHBondContact O-CB 3.39Å; Y62-K125 WeakPolarHBondContact O-CD 3.29Å; Y62-T126 WeakPolarHBondContact CB-O 3.46Å; Y62-K128 HydrophobicContact CD2-CB 3.72Å; Y62-K128 HydrophobicContact CE2-CB 3.83Å; Y62-K128 HydrophobicContact CE2-CD 4.25Å |
| 63 | L | 92.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -65 | 143.7 | 171.1 | -63 | 177.8 | 0 | 0 | 0 | 111 | V60 N61 M67 L72 L87 G98 K125 I127 | V60-L63 HydrophobicContact CB-CD1 4.37Å; V60-L63 HydrophobicContact CB-CD2 4.35Å; V60-L63 HydrophobicContact CB-CG 4.46Å; V60-L63 HydrophobicContact CG1-CD1 4.34Å; V60-L63 HydrophobicContact CG1-CD2 3.45Å; V60-L63 VanDerWaalsContact CG1-CD2 3.45Å; V60-L63 HydrophobicContact CG1-CG 3.99Å; N61-L63 VanDerWaalsContact C-N 3.32Å; N61-L63 PolarHBondContact O-N 2.82Å; L63-M67 HydrophobicContact CB-SD 4.44Å; L63-M67 HydrophobicContact CD2-SD 3.71Å; L63-M67 HydrophobicContact CG-SD 4.46Å; L63-L72 HydrophobicContact CD1-CD1 3.98Å; L63-L72 HydrophobicContact CD1-CD2 4.15Å; L63-L72 HydrophobicContact CD2-CD1 4.19Å; L63-L87 HydrophobicContact CD1-CD1 3.52Å; L63-G98 PolarHBondContact N-O 3.12Å; L63-G98 WeakPolarHBondContact O-CA 3.47Å; L63-K125 WeakPolarHBondContact O-CD 3.48Å; L63-K125 PolarHBondContact O-NZ 3.03Å; L63-I127 HydrophobicContact CD2-CG2 3.83Å | ||
| 64 | P | 90 | Very high | 91.2 | Very high | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.032 | 30% | 0.295 | C | S | . | . | trans | -57.7 | 142.8 | 168.3 | -22.6 | 33.4 | 0 | 0 | 0 | 111.3 | S66 M67 L122 | P64-S66 PolarHBondContact O-N 3.06Å; P64-M67 HydrophobicContact CB-CB 4.35Å; P64-M67 WeakPolarHBondContact O-CB 3.38Å; P64-M67 PolarHBondContact O-N 3.25Å; P64-M67 VanDerWaalsContact O-N 3.14Å; P64-L122 HydrophobicContact CG-CB 3.78Å | ||
| 65 | Q | 87.6 | Confident | 92.3 | Very high | 133 Ų | 133 | 54.8 Ų | 54.8 | 62% | 0.621 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -23.9 | 179.8 | -75.3 | -164.6 | 0.2 | 0 | 0 | 113.1 | M67 | Q65-M67 VanDerWaalsContact C-N 3.29Š|
| 66 | S | 89 | Confident | 92.9 | Very high | 80 Ų | 80 | 51.4 Ų | 51.4 | 56% | 0.559 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -15.2 | 174.7 | 46.2 | 0 | 0 | 0 | 0 | 113.3 | P64 S68 Q123 | P64-S66 PolarHBondContact O-N 3.06Å; S66-S68 PolarHBondContact O-N 3.47Å; S66-Q123 PolarHBondContact OG-NE2 3.4Å; S66-Q123 VanDerWaalsContact OG-NE2 3.09Å; S66-Q123 PolarHBondContact OG-OE1 3.06Å |
| 67 | M | 91.1 | Very high | 93 | Very high | 13 Ų | 13 | 52.1 Ų | 52.1 | 6% | 0.064 | 27% | 0.271 | C | S | . | . | trans | -66.9 | 133.6 | -175.7 | -165.8 | 176.7 | -159.2 | 0 | 0 | 111.3 | L63 P64 Q65 E71 L72 L75 L87 L122 | L63-M67 HydrophobicContact CB-SD 4.44Å; L63-M67 HydrophobicContact CD2-SD 3.71Å; L63-M67 HydrophobicContact CG-SD 4.46Å; P64-M67 HydrophobicContact CB-CB 4.35Å; P64-M67 WeakPolarHBondContact O-CB 3.38Å; P64-M67 PolarHBondContact O-N 3.25Å; P64-M67 VanDerWaalsContact O-N 3.14Å; Q65-M67 VanDerWaalsContact C-N 3.29Å; M67-E71 VanDerWaalsContact CA-OE2 3.29Å; M67-E71 WeakPolarHBondContact CA-OE2 3.34Å; M67-E71 HydrophobicContact CE-CB 4.16Å; M67-E71 HydrophobicContact CG-CB 4.04Å; M67-L72 HydrophobicContact CE-CB 4.36Å; M67-L75 HydrophobicContact CE-CD2 3.98Å; M67-L87 WeakPolarHBondContact O-CD2 2.92Å; M67-L122 HydrophobicContact CE-CD1 3.94Å; M67-L122 HydrophobicContact SD-CD1 4.1Å | ||
| 68 | S | 92.8 | Very high | 93 | Very high | 33 Ų | 33 | 53.4 Ų | 53.4 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | trans | -88.8 | 164.8 | 176.5 | 79.4 | 0 | 0 | 0 | 0 | 112.3 | S66 D70 E71 L72 | S66-S68 PolarHBondContact O-N 3.47Å; S68-D70 VanDerWaalsContact C-N 3.31Å; S68-E71 PolarHBondContact N-OE2 3.23Å; S68-E71 WeakPolarHBondContact OG-CB 3.48Å; S68-E71 VanDerWaalsContact OG-CG 3.25Å; S68-E71 WeakPolarHBondContact OG-CG 3.47Å; S68-E71 PolarHBondContact OG-N 3.07Å; S68-L72 PolarHBondContact O-N 2.96Å; S68-L72 VanDerWaalsContact O-N 3.09Å | ||
| 69 | Q | 92.5 | Very high | 93 | Very high | 85 Ų | 85 | 54.5 Ų | 54.5 | 40% | 0.397 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.5 | -36.6 | 175.2 | -176.8 | 175.5 | -74.1 | 0 | 0 | 111.2 | L72 R73 A85 L87 | Q69-L72 WeakPolarHBondContact O-CB 3.43Å; Q69-L72 PolarHBondContact O-N 3.5Å; Q69-R73 PolarHBondContact O-N 3.06Å; Q69-A85 WeakPolarHBondContact CG-O 3.22Å; Q69-A85 PolarHBondContact NE2-O 2.91Å; Q69-L87 HydrophobicContact CB-CB 4.01Å; Q69-L87 HydrophobicContact CG-CB 4.36Å |
| 70 | D | 93.4 | Very high | 92.9 | Very high | 114 Ų | 114 | 53.8 Ų | 53.8 | 61% | 0.61 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -66.4 | -41.2 | 177.7 | -59 | -61.1 | 0 | 0 | 0 | 111.1 | S68 L72 R73 S74 | S68-D70 VanDerWaalsContact C-N 3.31Å; D70-L72 PolarHBondContact O-N 3.23Å; D70-R73 PolarHBondContact O-N 3.08Å; D70-S74 WeakPolarHBondContact O-CB 3.33Å; D70-S74 PolarHBondContact O-N 3.3Å; D70-S74 PolarHBondContact O-OG 3.1Å; D70-S74 VanDerWaalsContact O-OG 3.12Å |
| 71 | E | 94.3 | Very high | 92.9 | Very high | 105 Ų | 105 | 60 Ų | 60 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 172.6 | -75 | 172.2 | 169.2 | 0 | 0 | 112 | M67 S68 S74 L75 | M67-E71 VanDerWaalsContact CA-OE2 3.29Å; M67-E71 WeakPolarHBondContact CA-OE2 3.34Å; M67-E71 HydrophobicContact CE-CB 4.16Å; M67-E71 HydrophobicContact CG-CB 4.04Å; S68-E71 PolarHBondContact N-OE2 3.23Å; S68-E71 WeakPolarHBondContact OG-CB 3.48Å; S68-E71 VanDerWaalsContact OG-CG 3.25Å; S68-E71 WeakPolarHBondContact OG-CG 3.47Å; S68-E71 PolarHBondContact OG-N 3.07Å; E71-S74 PolarHBondContact O-N 2.93Å; E71-L75 WeakPolarHBondContact O-CB 3.45Å; E71-L75 PolarHBondContact O-N 2.87Å |
| 72 | L | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 175.4 | 178.2 | 66.5 | 0 | 0 | 0 | 110.6 | V60 L63 M67 S68 Q69 D70 L75 F76 L87 V102 | V60-L72 HydrophobicContact CB-CD1 4.5Å; V60-L72 HydrophobicContact CG1-CD1 4.47Å; V60-L72 HydrophobicContact CG2-CD1 4.39Å; L63-L72 HydrophobicContact CD1-CD1 3.98Å; L63-L72 HydrophobicContact CD1-CD2 4.15Å; L63-L72 HydrophobicContact CD2-CD1 4.19Å; M67-L72 HydrophobicContact CE-CB 4.36Å; S68-L72 PolarHBondContact O-N 2.96Å; S68-L72 VanDerWaalsContact O-N 3.09Å; Q69-L72 WeakPolarHBondContact O-CB 3.43Å; Q69-L72 PolarHBondContact O-N 3.5Å; D70-L72 PolarHBondContact O-N 3.23Å; L72-L75 PolarHBondContact O-N 3.23Å; L72-F76 HydrophobicContact CD1-CD2 3.84Å; L72-F76 HydrophobicContact CD1-CE2 3.6Å; L72-F76 VanDerWaalsContact O-CD2 3.31Å; L72-F76 WeakPolarHBondContact O-CD2 3.44Å; L72-F76 PolarHBondContact O-N 3.36Å; L72-L87 HydrophobicContact CD2-CD1 4.34Å; L72-V102 HydrophobicContact CD1-CG2 4.27Å; L72-V102 HydrophobicContact CD2-CG2 4.19Å; L72-V102 HydrophobicContact CG-CG2 4.07Å |
| 73 | R | 95 | Very high | 93.1 | Very high | 125 Ų | 125 | 60.1 Ų | 60.1 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61 | -51.9 | 178 | -173.3 | 172.7 | 176.7 | -97.7 | -3.3 | 110.9 | Q69 D70 L75 F76 S77 V82 A85 | Q69-R73 PolarHBondContact O-N 3.06Å; D70-R73 PolarHBondContact O-N 3.08Å; R73-L75 VanDerWaalsContact C-N 3.28Å; R73-L75 PolarHBondContact O-N 2.93Å; R73-F76 PolarHBondContact O-N 3.05Å; R73-F76 VanDerWaalsContact O-N 3.16Å; R73-S77 WeakPolarHBondContact O-CB 3.49Å; R73-S77 PolarHBondContact O-N 2.95Å; R73-S77 PolarHBondContact O-OG 3.32Å; R73-V82 HydrophobicContact CG-CG1 4.29Å; R73-A85 HydrophobicContact CB-CB 3.79Å; R73-A85 HydrophobicContact CG-CB 4.1Å |
| 74 | S | 94.6 | Very high | 93 | Very high | 81 Ų | 81 | 63 Ų | 63 | 57% | 0.566 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -58.2 | -38.7 | 179.9 | -68.7 | 0 | 0 | 0 | 0 | 112.7 | D70 E71 S78 | D70-S74 WeakPolarHBondContact O-CB 3.33Å; D70-S74 PolarHBondContact O-N 3.3Å; D70-S74 PolarHBondContact O-OG 3.1Å; D70-S74 VanDerWaalsContact O-OG 3.12Å; E71-S74 PolarHBondContact O-N 2.93Å; S74-S78 PolarHBondContact O-N 3.41Å |
| 75 | L | 94.4 | Very high | 93.3 | Very high | 40 Ų | 40 | 63.3 Ų | 63.3 | 21% | 0.209 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 176.4 | 179.4 | 63.2 | 0 | 0 | 0 | 111.5 | M67 E71 L72 R73 S78 L117 L120 L122 I127 | M67-L75 HydrophobicContact CE-CD2 3.98Å; E71-L75 WeakPolarHBondContact O-CB 3.45Å; E71-L75 PolarHBondContact O-N 2.87Å; L72-L75 PolarHBondContact O-N 3.23Å; R73-L75 VanDerWaalsContact C-N 3.28Å; R73-L75 PolarHBondContact O-N 2.93Å; L75-S78 WeakPolarHBondContact O-CB 3.22Å; L75-S78 PolarHBondContact O-N 2.88Å; L75-S78 PolarHBondContact O-OG 2.9Å; L75-L117 HydrophobicContact CD1-CD2 4.39Å; L75-L120 HydrophobicContact CD1-CD2 4Å; L75-L120 HydrophobicContact CD2-CD2 4.24Å; L75-L122 HydrophobicContact CD2-CD1 4.11Å; L75-I127 HydrophobicContact CD2-CD1 4.32Å |
| 76 | F | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -79 | -27.2 | -177.4 | -78.9 | -101.3 | 0 | 0 | 0 | 113.1 | L58 V60 L72 R73 S78 V79 G80 V82 V102 F104 A113 L117 V129 | L58-F76 HydrophobicContact CD1-CE1 4.22Å; V60-F76 HydrophobicContact CB-CZ 4.3Å; V60-F76 HydrophobicContact CG1-CE2 4.24Å; V60-F76 HydrophobicContact CG1-CZ 4.01Å; V60-F76 HydrophobicContact CG2-CE1 3.94Å; V60-F76 HydrophobicContact CG2-CE2 3.79Å; V60-F76 HydrophobicContact CG2-CZ 3.29Å; L72-F76 HydrophobicContact CD1-CD2 3.84Å; L72-F76 HydrophobicContact CD1-CE2 3.6Å; L72-F76 VanDerWaalsContact O-CD2 3.31Å; L72-F76 WeakPolarHBondContact O-CD2 3.44Å; L72-F76 PolarHBondContact O-N 3.36Å; R73-F76 PolarHBondContact O-N 3.05Å; R73-F76 VanDerWaalsContact O-N 3.16Å; F76-S78 PolarHBondContact O-N 3.09Å; F76-V79 PolarHBondContact O-N 3.34Å; F76-G80 PolarHBondContact O-N 3.24Å; F76-V82 HydrophobicContact CB-CG2 3.92Å; F76-V102 HydrophobicContact CB-CG1 3.81Å; F76-V102 HydrophobicContact CB-CG2 4.48Å; F76-V102 HydrophobicContact CD1-CB 4.26Å; F76-V102 HydrophobicContact CD1-CG1 4Å; F76-V102 HydrophobicContact CD1-CG2 4.23Å; F76-V102 HydrophobicContact CD2-CG2 4.06Å; F76-V102 HydrophobicContact CE2-CG2 4.38Å; F76-V102 HydrophobicContact CG-CB 4.37Å; F76-V102 HydrophobicContact CG-CG1 3.96Å; F76-V102 HydrophobicContact CG-CG2 3.98Å; F76-F104 HydrophobicContact CB-CZ 3.95Å; F76-F104 AromaticContact CD1-CE2 3.88Å; F76-F104 HydrophobicContact CD1-CE2 3.88Å; F76-F104 AromaticContact CD1-CZ 3.89Å; F76-F104 HydrophobicContact CD1-CZ 3.89Å; F76-F104 HydrophobicContact CG-CZ 4.44Å; F76-A113 HydrophobicContact CD1-CB 4.16Å; F76-A113 HydrophobicContact CE1-CB 4.36Å; F76-L117 HydrophobicContact CD1-CD1 3.68Å; F76-L117 HydrophobicContact CD2-CD1 4.19Å; F76-L117 HydrophobicContact CE1-CD1 3.69Å; F76-L117 HydrophobicContact CE2-CD1 4.19Å; F76-L117 HydrophobicContact CG-CD1 3.94Å; F76-L117 HydrophobicContact CZ-CD1 3.94Å; F76-V129 HydrophobicContact CE1-CG1 3.91Å; F76-V129 HydrophobicContact CE1-CG2 4.31Å; F76-V129 HydrophobicContact CZ-CG1 4.21Å; F76-V129 HydrophobicContact CZ-CG2 3.88Å |
| 77 | S | 94.7 | Very high | 93.8 | Very high | 50 Ų | 50 | 59.8 Ų | 59.8 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.7 | -17.1 | 172.2 | -64.4 | 0 | 0 | 0 | 0 | 113.5 | R73 V79 G80 | R73-S77 WeakPolarHBondContact O-CB 3.49Å; R73-S77 PolarHBondContact O-N 2.95Å; R73-S77 PolarHBondContact O-OG 3.32Å; S77-V79 PolarHBondContact O-N 3.28Å; S77-G80 WeakPolarHBondContact CA-O 3.44Å |
| 78 | S | 93.9 | Very high | 93.8 | Very high | 92 Ų | 92 | 60.7 Ų | 60.7 | 64% | 0.643 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -22 | 172.6 | 72.5 | 0 | 0 | 0 | 0 | 113.4 | S74 L75 F76 | S74-S78 PolarHBondContact O-N 3.41Å; L75-S78 WeakPolarHBondContact O-CB 3.22Å; L75-S78 PolarHBondContact O-N 2.88Å; L75-S78 PolarHBondContact O-OG 2.9Å; F76-S78 PolarHBondContact O-N 3.09Å |
| 79 | V | 94.4 | Very high | 93.7 | Very high | 23 Ų | 23 | 64.9 Ų | 64.9 | 14% | 0.139 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -36.7 | -179 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | F76 S77 R112 A113 L117 | F76-V79 PolarHBondContact O-N 3.34Å; S77-V79 PolarHBondContact O-N 3.28Å; V79-R112 HydrophobicContact CG1-CB 3.79Å; V79-R112 PolarHBondContact O-NH2 3.22Å; V79-A113 HydrophobicContact CB-CB 4.24Å; V79-A113 HydrophobicContact CG1-CB 3.94Å; V79-A113 HydrophobicContact CG2-CB 4.43Å; V79-L117 HydrophobicContact CG2-CD1 3.78Å; V79-L117 HydrophobicContact CG2-CD2 4.34Å; V79-L117 HydrophobicContact CG2-CG 3.99Å |
| 80 | G | 92.4 | Very high | 93.4 | Very high | 14 Ų | 14 | 63.7 Ų | 63.7 | 14% | 0.144 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -174.4 | -176.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F76 S77 V82 | F76-G80 PolarHBondContact O-N 3.24Å; S77-G80 WeakPolarHBondContact CA-O 3.44Å; G80-V82 PolarHBondContact O-N 2.97Å |
| 81 | E | 94.3 | Very high | 92.8 | Very high | 131 Ų | 131 | 68.5 Ų | 68.5 | 61% | 0.612 | 35% | 0.347 | S | S | * | . | trans | -76.4 | 115.1 | -176.2 | -167.6 | 174 | 176.8 | 0 | 0 | 111.2 | F104 V105 | E81-F104 WeakPolarHBondContact O-CA 3.14Å; E81-F104 WeakPolarHBondContact O-CD1 3.47Å; E81-V105 HydrophobicContact CB-CB 4.39Å; E81-V105 HydrophobicContact CB-CG2 4.08Å; E81-V105 HydrophobicContact CG-CG2 3.8Å; E81-V105 PolarHBondContact O-N 2.97Å | ||
| 82 | V | 94.5 | Very high | 92.1 | Very high | 9 Ų | 9 | 68.6 Ų | 68.6 | 6% | 0.055 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 113.7 | -179.4 | 176.8 | 0 | 0 | 0 | 0 | 109.5 | R73 F76 G80 S84 A85 V102 F104 | R73-V82 HydrophobicContact CG-CG1 4.29Å; F76-V82 HydrophobicContact CB-CG2 3.92Å; G80-V82 PolarHBondContact O-N 2.97Å; V82-S84 WeakPolarHBondContact CG1-O 3.35Å; V82-A85 HydrophobicContact CG1-CB 4.19Å; V82-V102 HydrophobicContact CG1-CG1 3.8Å; V82-V102 HydrophobicContact CG2-CG1 4.08Å; V82-F104 HydrophobicContact CG2-CD1 4.19Å; V82-F104 HydrophobicContact CG2-CE1 3.74Å; V82-F104 HydrophobicContact CG2-CZ 4.07Å |
| 83 | E | 92.9 | Very high | 91.4 | Very high | 129 Ų | 129 | 71.2 Ų | 71.2 | 60% | 0.603 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.7 | -46.9 | 173.9 | -172.7 | -170.2 | -161.4 | 0 | 0 | 110.7 | N103 V105 | E83-N103 PolarHBondContact N-O 3.13Å; E83-N103 PolarHBondContact OE2-ND2 3.13Å; E83-V105 HydrophobicContact CB-CG2 4.03Å |
| 84 | S | 91.8 | Very high | 90.7 | Very high | 61 Ų | 61 | 67 Ų | 67 | 43% | 0.427 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 147 | 177.7 | 69.5 | 0 | 0 | 0 | 0 | 112.7 | V82 V102 N103 | V82-S84 WeakPolarHBondContact CG1-O 3.35Å; S84-V102 CarbonylContact O-C 3.51Å; S84-V102 WeakPolarHBondContact O-CA 3.42Å; S84-N103 PolarHBondContact N-O 3.11Å; S84-N103 PolarHBondContact O-N 3.04Å; S84-N103 WeakPolarHBondContact OG-CB 3.15Å |
| 85 | A | 94.4 | Very high | 90.2 | Very high | 12 Ų | 12 | 69 Ų | 69 | 10% | 0.099 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 127.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q69 R73 V82 F101 V102 | Q69-A85 WeakPolarHBondContact CG-O 3.22Å; Q69-A85 PolarHBondContact NE2-O 2.91Å; R73-A85 HydrophobicContact CB-CB 3.79Å; R73-A85 HydrophobicContact CG-CB 4.1Å; V82-A85 HydrophobicContact CG1-CB 4.19Å; A85-F101 CarbonylContact C-O 3.54Å; A85-F101 WeakPolarHBondContact CA-O 3.49Å; A85-V102 HydrophobicContact CB-CG2 4.33Å |
| 86 | K | 94 | Very high | 89.9 | Confident | 130 Ų | 130 | 67.3 Ų | 67.3 | 57% | 0.565 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 113 | -176.1 | -172 | 176.1 | -177.2 | 171 | 0 | 110.3 | I88 G100 F101 | K86-I88 HydrophobicContact CD-CD1 4.09Å; K86-I88 HydrophobicContact CG-CD1 4.02Å; K86-G100 CarbonylContact O-C 3.42Å; K86-G100 WeakPolarHBondContact O-CA 3.33Å; K86-F101 PolarHBondContact N-O 2.79Å; K86-F101 PolarHBondContact O-N 3.31Å |
| 87 | L | 93.9 | Very high | 89.6 | Confident | 9 Ų | 9 | 69.8 Ų | 69.8 | 5% | 0.047 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 124.9 | 171.8 | -173.3 | 73.4 | 0 | 0 | 0 | 109.2 | L63 M67 Q69 L72 | L63-L87 HydrophobicContact CD1-CD1 3.52Å; M67-L87 WeakPolarHBondContact O-CD2 2.92Å; Q69-L87 HydrophobicContact CB-CB 4.01Å; Q69-L87 HydrophobicContact CG-CB 4.36Å; L72-L87 HydrophobicContact CD2-CD1 4.34Å |
| 88 | I | 92.2 | Very high | 89.3 | Confident | 31 Ų | 31 | 67.8 Ų | 67.8 | 16% | 0.159 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 125.8 | -179.9 | -52.5 | -57.7 | 0 | 0 | 0 | 109.7 | K86 L97 Y99 F101 | K86-I88 HydrophobicContact CD-CD1 4.09Å; K86-I88 HydrophobicContact CG-CD1 4.02Å; I88-L97 HydrophobicContact CG2-CD1 3.65Å; I88-L97 HydrophobicContact CG2-CG 4.25Å; I88-L97 PolarHBondContact O-N 3.09Å; I88-Y99 HydrophobicContact CB-CD2 4.32Å; I88-Y99 HydrophobicContact CB-CE1 4.24Å; I88-Y99 HydrophobicContact CB-CE2 3.91Å; I88-Y99 HydrophobicContact CG1-CD2 4Å; I88-Y99 HydrophobicContact CG1-CE2 3.56Å; I88-Y99 HydrophobicContact CG2-CE1 4.28Å; I88-Y99 HydrophobicContact CG2-CE2 4.29Å; I88-Y99 PolarHBondContact N-O 3.28Å; I88-F101 HydrophobicContact CD1-CD2 3.93Å; I88-F101 HydrophobicContact CD1-CE2 4.02Å; I88-F101 HydrophobicContact CG1-CD2 3.92Å; I88-F101 HydrophobicContact CG1-CE2 3.8Å |
| 89 | R | 90.1 | Very high | 89.3 | Confident | 122 Ų | 122 | 66.6 Ų | 66.6 | 46% | 0.46 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 151.2 | 177.9 | -66.5 | 173.9 | 175.8 | -113.8 | 0.7 | 110.1 | K91 G94 H95 | R89-K91 PolarHBondContact O-N 2.98Å; R89-G94 PolarHBondContact NH1-O 2.87Å; R89-H95 CarbonylContact C-O 3.59Å; R89-H95 VanDerWaalsContact CA-O 3.23Å; R89-H95 WeakPolarHBondContact CA-O 3.38Å |
| 90 | D | 85.4 | Confident | 89.3 | Confident | 59 Ų | 59 | 65.5 Ų | 65.5 | 32% | 0.316 | 34% | 0.339 | S | S | . | . | trans | -58.7 | 125.3 | 170 | -172.1 | -71.7 | 0 | 0 | 0 | 109.3 | V92 A93 G94 H95 L97 | D90-V92 PolarHBondContact O-N 3.19Å; D90-V92 VanDerWaalsContact OD1-CA 3.32Å; D90-V92 WeakPolarHBondContact OD1-CA 3.47Å; D90-V92 VanDerWaalsContact OD1-CB 3.3Å; D90-V92 WeakPolarHBondContact OD1-CB 3.42Å; D90-V92 PolarHBondContact OD1-N 2.78Å; D90-A93 HydrophobicContact CB-CB 4.31Å; D90-A93 PolarHBondContact OD1-N 2.95Å; D90-G94 VanDerWaalsContact O-CA 3.26Å; D90-G94 WeakPolarHBondContact O-CA 3.31Å; D90-G94 PolarHBondContact O-N 3.17Å; D90-H95 PolarHBondContact N-O 3.31Å; D90-L97 HydrophobicContact CB-CD2 3.97Å | ||
| 91 | K | 80.6 | Confident | 89.5 | Confident | 216 Ų | 216 | 67.1 Ų | 67.1 | 94% | 0.939 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -20.1 | -176.4 | -66.3 | -173.4 | -179.9 | -175.6 | 0 | 113.1 | R89 | R89-K91 PolarHBondContact O-N 2.98Š|
| 92 | V | 80.4 | Confident | 89.6 | Confident | 106 Ų | 106 | 60.9 Ų | 60.9 | 64% | 0.642 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | -46.1 | -172.1 | -172.6 | 0 | 0 | 0 | 0 | 111 | D90 | D90-V92 PolarHBondContact O-N 3.19Å; D90-V92 VanDerWaalsContact OD1-CA 3.32Å; D90-V92 WeakPolarHBondContact OD1-CA 3.47Å; D90-V92 VanDerWaalsContact OD1-CB 3.3Å; D90-V92 WeakPolarHBondContact OD1-CB 3.42Å; D90-V92 PolarHBondContact OD1-N 2.78Å |
| 93 | A | 79.9 | Confident | 89.6 | Confident | 56 Ų | 56 | 61.8 Ų | 61.8 | 46% | 0.463 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -14.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D90 H95 | D90-A93 HydrophobicContact CB-CB 4.31Å; D90-A93 PolarHBondContact OD1-N 2.95Å; A93-H95 PolarHBondContact O-N 2.89Å; A93-H95 VanDerWaalsContact O-N 3.11Å |
| 94 | G | 81.5 | Confident | 89.7 | Confident | 36 Ų | 36 | 55.7 Ų | 55.7 | 37% | 0.371 | 29% | 0.289 | S | S | . | . | trans | 72 | -2.2 | -180 | 0 | 0 | 0 | 0 | 0 | 115.1 | R89 D90 | R89-G94 PolarHBondContact NH1-O 2.87Å; D90-G94 VanDerWaalsContact O-CA 3.26Å; D90-G94 WeakPolarHBondContact O-CA 3.31Å; D90-G94 PolarHBondContact O-N 3.17Å | ||
| 95 | H | 83.8 | Confident | 89.7 | Confident | 123 Ų | 123 | 56.1 Ų | 56.1 | 57% | 0.569 | 29% | 0.289 | S | S | * | . | trans | -71.4 | 144.8 | 176.9 | -60.9 | -55.2 | 0 | 0 | 0 | 111.6 | R89 D90 A93 L97 | R89-H95 CarbonylContact C-O 3.59Å; R89-H95 VanDerWaalsContact CA-O 3.23Å; R89-H95 WeakPolarHBondContact CA-O 3.38Å; D90-H95 PolarHBondContact N-O 3.31Å; A93-H95 PolarHBondContact O-N 2.89Å; A93-H95 VanDerWaalsContact O-N 3.11Å; H95-L97 PolarHBondContact O-N 3.4Å | ||
| 96 | S | 87.8 | Confident | 89.6 | Confident | 5 Ų | 5 | 59 Ų | 59 | 4% | 0.035 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 131.6 | 174.7 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | G98 | S96-G98 PolarHBondContact O-N 3.27Å; S96-G98 PolarHBondContact OG-N 3.09Å; S96-G98 VanDerWaalsContact OG-N 3.15Å |
| 97 | L | 87.8 | Confident | 89.5 | Confident | 52 Ų | 52 | 54.6 Ų | 54.6 | 27% | 0.272 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 1 | 172.1 | -61.6 | -172.8 | 0 | 0 | 0 | 112.1 | I88 D90 H95 Y99 | I88-L97 HydrophobicContact CG2-CD1 3.65Å; I88-L97 HydrophobicContact CG2-CG 4.25Å; I88-L97 PolarHBondContact O-N 3.09Å; D90-L97 HydrophobicContact CB-CD2 3.97Å; H95-L97 PolarHBondContact O-N 3.4Å; L97-Y99 VanDerWaalsContact C-N 3.29Å; L97-Y99 HydrophobicContact CB-CD1 3.71Å; L97-Y99 HydrophobicContact CB-CE1 3.47Å; L97-Y99 VanDerWaalsContact CB-CE1 3.47Å; L97-Y99 HydrophobicContact CD1-CE1 3.79Å; L97-Y99 HydrophobicContact CG-CE1 4.28Å; L97-Y99 PolarHBondContact O-N 3.48Å |
| 98 | G | 90.3 | Very high | 89.5 | Confident | 7 Ų | 7 | 57.1 Ų | 57.1 | 7% | 0.072 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.5 | 21.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y62 L63 S96 | Y62-G98 CarbonylContact C-O 3.56Å; Y62-G98 PolarHBondContact N-O 2.98Å; L63-G98 PolarHBondContact N-O 3.12Å; L63-G98 WeakPolarHBondContact O-CA 3.47Å; S96-G98 PolarHBondContact O-N 3.27Å; S96-G98 PolarHBondContact OG-N 3.09Å; S96-G98 VanDerWaalsContact OG-N 3.15Å |
| 99 | Y | 93.5 | Very high | 89.6 | Confident | 67 Ų | 67 | 56.2 Ų | 56.2 | 26% | 0.263 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 157.9 | 168.7 | 73 | -82.2 | 0 | 0 | 0 | 111.4 | I59 V60 I88 L97 F101 | I59-Y99 HydrophobicContact CD1-CD2 4.33Å; V60-Y99 CarbonylContact O-C 3.58Å; V60-Y99 WeakPolarHBondContact O-CA 3.37Å; V60-Y99 VanDerWaalsContact O-CB 3.29Å; V60-Y99 WeakPolarHBondContact O-CB 3.44Å; I88-Y99 HydrophobicContact CB-CD2 4.32Å; I88-Y99 HydrophobicContact CB-CE1 4.24Å; I88-Y99 HydrophobicContact CB-CE2 3.91Å; I88-Y99 HydrophobicContact CG1-CD2 4Å; I88-Y99 HydrophobicContact CG1-CE2 3.56Å; I88-Y99 HydrophobicContact CG2-CE1 4.28Å; I88-Y99 HydrophobicContact CG2-CE2 4.29Å; I88-Y99 PolarHBondContact N-O 3.28Å; L97-Y99 VanDerWaalsContact C-N 3.29Å; L97-Y99 HydrophobicContact CB-CD1 3.71Å; L97-Y99 HydrophobicContact CB-CE1 3.47Å; L97-Y99 VanDerWaalsContact CB-CE1 3.47Å; L97-Y99 HydrophobicContact CD1-CE1 3.79Å; L97-Y99 HydrophobicContact CG-CE1 4.28Å; L97-Y99 PolarHBondContact O-N 3.48Å; Y99-F101 HydrophobicContact CD2-CE2 4.15Å; Y99-F101 HydrophobicContact CD2-CZ 4.47Å; Y99-F101 AromaticContact CE2-CE2 3.8Å; Y99-F101 HydrophobicContact CE2-CE2 3.8Å; Y99-F101 HydrophobicContact CE2-CZ 4.16Å |
| 100 | G | 94.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 171.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V60 K86 | V60-G100 PolarHBondContact N-O 3.49Å; V60-G100 PolarHBondContact O-N 2.81Å; K86-G100 CarbonylContact O-C 3.42Å; K86-G100 WeakPolarHBondContact O-CA 3.33Å |
| 101 | F | 95.6 | Very high | 90.2 | Very high | 48 Ų | 48 | 52.8 Ų | 52.8 | 21% | 0.211 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 142.1 | 174.6 | -63.3 | -87.5 | 0 | 0 | 0 | 109.7 | L58 I59 A85 K86 I88 Y99 A132 | L58-F101 CarbonylContact O-C 3.54Å; L58-F101 WeakPolarHBondContact O-CA 3.25Å; I59-F101 HydrophobicContact CB-CD1 4.1Å; I59-F101 HydrophobicContact CB-CE1 3.94Å; I59-F101 HydrophobicContact CD1-CE1 3.88Å; I59-F101 HydrophobicContact CD1-CZ 4.01Å; I59-F101 HydrophobicContact CG1-CD1 4.27Å; I59-F101 HydrophobicContact CG1-CE1 3.88Å; I59-F101 HydrophobicContact CG1-CZ 4.31Å; A85-F101 CarbonylContact C-O 3.54Å; A85-F101 WeakPolarHBondContact CA-O 3.49Å; K86-F101 PolarHBondContact N-O 2.79Å; K86-F101 PolarHBondContact O-N 3.31Å; I88-F101 HydrophobicContact CD1-CD2 3.93Å; I88-F101 HydrophobicContact CD1-CE2 4.02Å; I88-F101 HydrophobicContact CG1-CD2 3.92Å; I88-F101 HydrophobicContact CG1-CE2 3.8Å; Y99-F101 HydrophobicContact CD2-CE2 4.15Å; Y99-F101 HydrophobicContact CD2-CZ 4.47Å; Y99-F101 AromaticContact CE2-CE2 3.8Å; Y99-F101 HydrophobicContact CE2-CE2 3.8Å; Y99-F101 HydrophobicContact CE2-CZ 4.16Å; F101-A132 HydrophobicContact CD1-CB 3.88Å; F101-A132 HydrophobicContact CE1-CB 4.07Å |
| 102 | V | 96.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 118.3 | 177.1 | -178.9 | 0 | 0 | 0 | 0 | 107.8 | L58 V60 L72 F76 V82 S84 A85 F104 | L58-V102 WeakPolarHBondContact CB-O 3.4Å; L58-V102 PolarHBondContact N-O 3.11Å; L58-V102 PolarHBondContact O-N 3.31Å; V60-V102 HydrophobicContact CG2-CG2 4.1Å; L72-V102 HydrophobicContact CD1-CG2 4.27Å; L72-V102 HydrophobicContact CD2-CG2 4.19Å; L72-V102 HydrophobicContact CG-CG2 4.07Å; F76-V102 HydrophobicContact CB-CG1 3.81Å; F76-V102 HydrophobicContact CB-CG2 4.48Å; F76-V102 HydrophobicContact CD1-CB 4.26Å; F76-V102 HydrophobicContact CD1-CG1 4Å; F76-V102 HydrophobicContact CD1-CG2 4.23Å; F76-V102 HydrophobicContact CD2-CG2 4.06Å; F76-V102 HydrophobicContact CE2-CG2 4.38Å; F76-V102 HydrophobicContact CG-CB 4.37Å; F76-V102 HydrophobicContact CG-CG1 3.96Å; F76-V102 HydrophobicContact CG-CG2 3.98Å; V82-V102 HydrophobicContact CG1-CG1 3.8Å; V82-V102 HydrophobicContact CG2-CG1 4.08Å; S84-V102 CarbonylContact O-C 3.51Å; S84-V102 WeakPolarHBondContact O-CA 3.42Å; A85-V102 HydrophobicContact CB-CG2 4.33Å; V102-F104 HydrophobicContact CG1-CD2 4.27Å; V102-F104 HydrophobicContact CG1-CE2 3.86Å; V102-F104 HydrophobicContact CG1-CZ 4.35Å |
| 103 | N | 94.6 | Very high | 91.6 | Very high | 29 Ų | 29 | 43 Ų | 43 | 16% | 0.155 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 125.1 | 173.1 | -152.7 | 34.6 | 0 | 0 | 0 | 109.7 | T56 N57 E83 S84 | T56-N103 PolarHBondContact O-OD1 3.24Å; T56-N103 PolarHBondContact OG1-OD1 3.16Å; N57-N103 WeakPolarHBondContact CA-OD1 3.25Å; N57-N103 VanDerWaalsContact CB-OD1 3.29Å; N57-N103 WeakPolarHBondContact CB-OD1 3.35Å; N57-N103 PolarHBondContact N-OD1 3.42Å; N57-N103 VanDerWaalsContact N-OD1 3.11Å; E83-N103 PolarHBondContact N-O 3.13Å; E83-N103 PolarHBondContact OE2-ND2 3.13Å; S84-N103 PolarHBondContact N-O 3.11Å; S84-N103 PolarHBondContact O-N 3.04Å; S84-N103 WeakPolarHBondContact OG-CB 3.15Å |
| 104 | F | 95.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 158.4 | 170.6 | -77.2 | -88.6 | 0 | 0 | 0 | 111 | T56 L58 F76 E81 V82 V102 N106 D109 A110 A113 | T56-F104 VanDerWaalsContact CB-O 3.24Å; T56-F104 WeakPolarHBondContact CB-O 3.31Å; T56-F104 PolarHBondContact O-N 3.02Å; L58-F104 HydrophobicContact CD1-CD2 4.06Å; L58-F104 HydrophobicContact CD1-CE2 3.69Å; L58-F104 HydrophobicContact CG-CD2 4.37Å; L58-F104 HydrophobicContact CG-CE2 4.42Å; F76-F104 HydrophobicContact CB-CZ 3.95Å; F76-F104 AromaticContact CD1-CE2 3.88Å; F76-F104 HydrophobicContact CD1-CE2 3.88Å; F76-F104 AromaticContact CD1-CZ 3.89Å; F76-F104 HydrophobicContact CD1-CZ 3.89Å; F76-F104 HydrophobicContact CG-CZ 4.44Å; E81-F104 WeakPolarHBondContact O-CA 3.14Å; E81-F104 WeakPolarHBondContact O-CD1 3.47Å; V82-F104 HydrophobicContact CG2-CD1 4.19Å; V82-F104 HydrophobicContact CG2-CE1 3.74Å; V82-F104 HydrophobicContact CG2-CZ 4.07Å; V102-F104 HydrophobicContact CG1-CD2 4.27Å; V102-F104 HydrophobicContact CG1-CE2 3.86Å; V102-F104 HydrophobicContact CG1-CZ 4.35Å; F104-N106 WeakPolarHBondContact CB-O 3.24Å; F104-D109 HydrophobicContact CB-CB 4.27Å; F104-D109 HydrophobicContact CD1-CB 3.55Å; F104-D109 HydrophobicContact CE1-CB 4.14Å; F104-D109 HydrophobicContact CG-CB 4.06Å; F104-A110 HydrophobicContact CB-CB 4.15Å; F104-A110 HydrophobicContact CD2-CB 3.83Å; F104-A110 HydrophobicContact CG-CB 4.23Å; F104-A113 HydrophobicContact CE2-CB 3.68Å; F104-A113 HydrophobicContact CZ-CB 3.65Å |
| 105 | V | 92.5 | Very high | 92.9 | Very high | 69 Ų | 69 | 44.8 Ų | 44.8 | 42% | 0.418 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -69.8 | -39.1 | 169.4 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | E81 E83 | E81-V105 HydrophobicContact CB-CB 4.39Å; E81-V105 HydrophobicContact CB-CG2 4.08Å; E81-V105 HydrophobicContact CG-CG2 3.8Å; E81-V105 PolarHBondContact O-N 2.97Å; E83-V105 HydrophobicContact CB-CG2 4.03Å |
| 106 | N | 91.9 | Very high | 93.3 | Very high | 73 Ų | 73 | 43.5 Ų | 43.5 | 39% | 0.39 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -115.1 | 142.9 | -175.7 | -53.2 | -61.5 | 0 | 0 | 0 | 112.2 | F104 S108 D109 A110 | F104-N106 WeakPolarHBondContact CB-O 3.24Å; N106-S108 VanDerWaalsContact C-N 3.34Å; N106-S108 PolarHBondContact O-N 2.81Å; N106-D109 HydrophobicContact CB-CB 4.33Å; N106-D109 PolarHBondContact ND2-OD2 2.83Å; N106-D109 PolarHBondContact O-N 2.96Å; N106-A110 PolarHBondContact O-N 2.84Å |
| 107 | H | 91.8 | Very high | 93.6 | Very high | 37 Ų | 37 | 43.8 Ų | 43.8 | 17% | 0.171 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.2 | -40.8 | 175 | 174.6 | 71.1 | 0 | 0 | 0 | 111.9 | D52 D53 R55 T56 D109 A110 E111 F131 | D52-H107 PolarHBondContact O-CE1 3.47Å; D52-H107 VanDerWaalsContact O-CE1 3.28Å; D53-H107 PolarHBondContact O-CD2 2.76Å; R55-H107 PolarHBondContact N-ND1 3.25Å; R55-H107 PolarHBondContact O-ND1 2.66Å; T56-H107 HydrophobicContact CG2-CB 4.31Å; H107-D109 VanDerWaalsContact C-N 3.27Å; H107-D109 PolarHBondContact O-N 2.8Å; H107-A110 WeakPolarHBondContact O-CB 3.21Å; H107-A110 PolarHBondContact O-N 2.9Å; H107-E111 PolarHBondContact O-N 2.79Å; H107-F131 AromaticContact CE1-CZ 3.71Å |
| 108 | S | 93.4 | Very high | 93.9 | Very high | 62 Ų | 62 | 45.1 Ų | 45.1 | 43% | 0.434 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.8 | -37.5 | 177.2 | 54.4 | 0 | 0 | 0 | 0 | 112.8 | N106 R112 | N106-S108 VanDerWaalsContact C-N 3.34Å; N106-S108 PolarHBondContact O-N 2.81Å; S108-R112 VanDerWaalsContact O-CG 3.31Å; S108-R112 WeakPolarHBondContact O-CG 3.38Å; S108-R112 PolarHBondContact O-N 3.33Å; S108-R112 VanDerWaalsContact O-N 3.08Å |
| 109 | D | 94.8 | Very high | 94 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.9 | -39.3 | 176.1 | -66.7 | -25.5 | 0 | 0 | 0 | 111.4 | F104 N106 H107 R112 A113 | F104-D109 HydrophobicContact CB-CB 4.27Å; F104-D109 HydrophobicContact CD1-CB 3.55Å; F104-D109 HydrophobicContact CE1-CB 4.14Å; F104-D109 HydrophobicContact CG-CB 4.06Å; N106-D109 HydrophobicContact CB-CB 4.33Å; N106-D109 PolarHBondContact ND2-OD2 2.83Å; N106-D109 PolarHBondContact O-N 2.96Å; H107-D109 VanDerWaalsContact C-N 3.27Å; H107-D109 PolarHBondContact O-N 2.8Å; D109-R112 IonicContact OD1-CZ 3.23Å; D109-R112 VanDerWaalsContact OD1-CZ 3.23Å; D109-R112 IonicContact OD1-NH1 3.51Å; D109-R112 IonicContact OD1-NH2 2.64Å; D109-R112 PolarHBondContact OD1-NH2 3.34Å; D109-A113 WeakPolarHBondContact O-CB 3.17Å; D109-A113 PolarHBondContact O-N 2.99Å |
| 110 | A | 93.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64 | -43.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L58 F104 N106 H107 A113 I114 F131 | L58-A110 HydrophobicContact CD1-CB 4.34Å; L58-A110 HydrophobicContact CD2-CB 4.02Å; L58-A110 HydrophobicContact CG-CB 4.19Å; F104-A110 HydrophobicContact CB-CB 4.15Å; F104-A110 HydrophobicContact CD2-CB 3.83Å; F104-A110 HydrophobicContact CG-CB 4.23Å; N106-A110 PolarHBondContact O-N 2.84Å; H107-A110 WeakPolarHBondContact O-CB 3.21Å; H107-A110 PolarHBondContact O-N 2.9Å; A110-A113 WeakPolarHBondContact O-CB 3.29Å; A110-A113 PolarHBondContact O-N 2.86Å; A110-I114 PolarHBondContact O-N 2.98Å; A110-F131 HydrophobicContact CB-CE1 4.14Å |
| 111 | E | 94.4 | Very high | 93.9 | Very high | 108 Ų | 108 | 55.6 Ų | 55.6 | 51% | 0.505 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.6 | -49.2 | 176.5 | -170.8 | -175.3 | -141.9 | 0 | 0 | 111.2 | H107 A113 I114 S115 | H107-E111 PolarHBondContact O-N 2.79Å; E111-A113 PolarHBondContact O-N 2.79Å; E111-I114 WeakPolarHBondContact O-CB 3.5Å; E111-I114 PolarHBondContact O-N 2.87Å; E111-S115 PolarHBondContact O-N 3.14Å; E111-S115 PolarHBondContact O-OG 3.2Å |
| 112 | R | 95 | Very high | 93.6 | Very high | 118 Ų | 118 | 55 Ų | 55 | 45% | 0.445 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.5 | -37 | 175 | -71.4 | -168.1 | -37.6 | -131.3 | 2.2 | 112.1 | V79 S108 D109 S115 T116 | V79-R112 HydrophobicContact CG1-CB 3.79Å; V79-R112 PolarHBondContact O-NH2 3.22Å; S108-R112 VanDerWaalsContact O-CG 3.31Å; S108-R112 WeakPolarHBondContact O-CG 3.38Å; S108-R112 PolarHBondContact O-N 3.33Å; S108-R112 VanDerWaalsContact O-N 3.08Å; D109-R112 IonicContact OD1-CZ 3.23Å; D109-R112 VanDerWaalsContact OD1-CZ 3.23Å; D109-R112 IonicContact OD1-NH1 3.51Å; D109-R112 IonicContact OD1-NH2 2.64Å; D109-R112 PolarHBondContact OD1-NH2 3.34Å; R112-S115 PolarHBondContact O-N 3.44Å; R112-T116 VanDerWaalsContact O-CB 3.25Å; R112-T116 WeakPolarHBondContact O-CB 3.43Å; R112-T116 PolarHBondContact O-N 3.04Å; R112-T116 PolarHBondContact O-OG1 2.62Å |
| 113 | A | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L58 F76 V79 F104 D109 A110 E111 L117 | L58-A113 HydrophobicContact CD1-CB 3.88Å; F76-A113 HydrophobicContact CD1-CB 4.16Å; F76-A113 HydrophobicContact CE1-CB 4.36Å; V79-A113 HydrophobicContact CB-CB 4.24Å; V79-A113 HydrophobicContact CG1-CB 3.94Å; V79-A113 HydrophobicContact CG2-CB 4.43Å; F104-A113 HydrophobicContact CE2-CB 3.68Å; F104-A113 HydrophobicContact CZ-CB 3.65Å; D109-A113 WeakPolarHBondContact O-CB 3.17Å; D109-A113 PolarHBondContact O-N 2.99Å; A110-A113 WeakPolarHBondContact O-CB 3.29Å; A110-A113 PolarHBondContact O-N 2.86Å; E111-A113 PolarHBondContact O-N 2.79Å; A113-L117 HydrophobicContact CB-CD1 4.39Å; A113-L117 WeakPolarHBondContact O-CA 3.36Å; A113-L117 WeakPolarHBondContact O-CB 3.24Å; A113-L117 PolarHBondContact O-N 3.19Å |
| 114 | I | 95.1 | Very high | 92.7 | Very high | 31 Ų | 31 | 65.1 Ų | 65.1 | 16% | 0.159 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.9 | -51.9 | 170.9 | -64.8 | 166.6 | 0 | 0 | 0 | 109.8 | L58 A110 E111 T116 N118 V129 F131 | L58-I114 HydrophobicContact CD1-CG1 4.14Å; L58-I114 HydrophobicContact CD2-CD1 3.64Å; L58-I114 HydrophobicContact CD2-CG1 3.8Å; A110-I114 PolarHBondContact O-N 2.98Å; E111-I114 WeakPolarHBondContact O-CB 3.5Å; E111-I114 PolarHBondContact O-N 2.87Å; I114-T116 PolarHBondContact O-N 3.44Å; I114-N118 HydrophobicContact CG2-CB 4.46Å; I114-N118 WeakPolarHBondContact O-CB 3.38Å; I114-N118 PolarHBondContact O-N 2.78Å; I114-N118 VanDerWaalsContact O-N 3.1Å; I114-V129 HydrophobicContact CG1-CG1 3.96Å; I114-F131 HydrophobicContact CD1-CD1 3.96Å; I114-F131 HydrophobicContact CD1-CD2 3.66Å; I114-F131 HydrophobicContact CD1-CE1 3.79Å; I114-F131 HydrophobicContact CD1-CE2 3.51Å; I114-F131 HydrophobicContact CD1-CG 3.88Å; I114-F131 HydrophobicContact CD1-CZ 3.58Å |
| 115 | S | 93.5 | Very high | 92.3 | Very high | 98 Ų | 98 | 68.2 Ų | 68.2 | 69% | 0.685 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.2 | -30.8 | -176.5 | -53.5 | 0 | 0 | 0 | 0 | 113.6 | E111 R112 | E111-S115 PolarHBondContact O-N 3.14Å; E111-S115 PolarHBondContact O-OG 3.2Å; R112-S115 PolarHBondContact O-N 3.44Å |
| 116 | T | 93.1 | Very high | 92.3 | Very high | 96 Ų | 96 | 68.6 Ų | 68.6 | 59% | 0.589 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -97.3 | -40 | -173.5 | -48.9 | 0 | 0 | 0 | 0 | 113.2 | R112 I114 | R112-T116 VanDerWaalsContact O-CB 3.25Å; R112-T116 WeakPolarHBondContact O-CB 3.43Å; R112-T116 PolarHBondContact O-N 3.04Å; R112-T116 PolarHBondContact O-OG1 2.62Å; I114-T116 PolarHBondContact O-N 3.44Å |
| 117 | L | 94.3 | Very high | 92.4 | Very high | 11 Ų | 11 | 65.2 Ų | 65.2 | 6% | 0.058 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -101 | -17.2 | -171.7 | -56.6 | 176.6 | 0 | 0 | 0 | 113.3 | L75 F76 V79 A113 G119 L120 I127 V129 | L75-L117 HydrophobicContact CD1-CD2 4.39Å; F76-L117 HydrophobicContact CD1-CD1 3.68Å; F76-L117 HydrophobicContact CD2-CD1 4.19Å; F76-L117 HydrophobicContact CE1-CD1 3.69Å; F76-L117 HydrophobicContact CE2-CD1 4.19Å; F76-L117 HydrophobicContact CG-CD1 3.94Å; F76-L117 HydrophobicContact CZ-CD1 3.94Å; V79-L117 HydrophobicContact CG2-CD1 3.78Å; V79-L117 HydrophobicContact CG2-CD2 4.34Å; V79-L117 HydrophobicContact CG2-CG 3.99Å; A113-L117 HydrophobicContact CB-CD1 4.39Å; A113-L117 WeakPolarHBondContact O-CA 3.36Å; A113-L117 WeakPolarHBondContact O-CB 3.24Å; A113-L117 PolarHBondContact O-N 3.19Å; L117-G119 PolarHBondContact O-N 3.17Å; L117-L120 HydrophobicContact CD2-CD2 4.24Å; L117-L120 VanDerWaalsContact O-CB 3.22Å; L117-L120 WeakPolarHBondContact O-CB 3.1Å; L117-L120 PolarHBondContact O-N 2.82Å; L117-L120 VanDerWaalsContact O-N 3.09Å; L117-I127 WeakPolarHBondContact O-CG1 3.34Å; L117-V129 HydrophobicContact CB-CG2 4.18Å |
| 118 | N | 93.3 | Very high | 92.5 | Very high | 79 Ų | 79 | 66.8 Ų | 66.8 | 42% | 0.422 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 127.8 | 173.2 | -173.4 | 33.3 | 0 | 0 | 0 | 110.1 | I114 L120 K128 V129 | I114-N118 HydrophobicContact CG2-CB 4.46Å; I114-N118 WeakPolarHBondContact O-CB 3.38Å; I114-N118 PolarHBondContact O-N 2.78Å; I114-N118 VanDerWaalsContact O-N 3.1Å; N118-L120 VanDerWaalsContact C-N 3.34Å; N118-K128 WeakPolarHBondContact OD1-CA 3.12Å; N118-V129 HydrophobicContact CB-CB 4.08Å; N118-V129 HydrophobicContact CB-CG2 4.48Å; N118-V129 PolarHBondContact OD1-N 2.83Å |
| 119 | G | 91.8 | Very high | 92.5 | Very high | 44 Ų | 44 | 64 Ų | 64 | 45% | 0.454 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 3.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | L117 R121 T126 I127 | L117-G119 PolarHBondContact O-N 3.17Å; G119-R121 PolarHBondContact O-N 3.37Å; G119-T126 WeakPolarHBondContact O-CG2 3.23Å; G119-I127 WeakPolarHBondContact CA-O 3.29Å; G119-I127 PolarHBondContact N-O 3.35Å |
| 120 | L | 92.8 | Very high | 92.4 | Very high | 63 Ų | 63 | 65.2 Ų | 65.2 | 33% | 0.33 | 35% | 0.347 | S | S | . | . | trans | -64.9 | 131.7 | 175.4 | -176.6 | 69.4 | 0 | 0 | 0 | 110.5 | L75 L117 N118 L122 T126 I127 | L75-L120 HydrophobicContact CD1-CD2 4Å; L75-L120 HydrophobicContact CD2-CD2 4.24Å; L117-L120 HydrophobicContact CD2-CD2 4.24Å; L117-L120 VanDerWaalsContact O-CB 3.22Å; L117-L120 WeakPolarHBondContact O-CB 3.1Å; L117-L120 PolarHBondContact O-N 2.82Å; L117-L120 VanDerWaalsContact O-N 3.09Å; N118-L120 VanDerWaalsContact C-N 3.34Å; L120-L122 HydrophobicContact CD2-CD2 3.88Å; L120-L122 HydrophobicContact CD2-CG 4.49Å; L120-L122 HydrophobicContact CG-CD2 4.13Å; L120-T126 WeakPolarHBondContact O-CA 3.14Å; L120-I127 HydrophobicContact CB-CD1 4.04Å; L120-I127 HydrophobicContact CB-CG1 3.93Å; L120-I127 HydrophobicContact CD2-CD1 4.43Å; L120-I127 WeakPolarHBondContact O-CG1 3.42Å; L120-I127 PolarHBondContact O-N 2.87Å | ||
| 121 | R | 93.1 | Very high | 92.4 | Very high | 187 Ų | 187 | 67.3 Ų | 67.3 | 71% | 0.706 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 114.8 | 179.2 | -169.6 | 171.8 | 174.5 | 178.2 | -0.5 | 110.6 | G119 K125 | G119-R121 PolarHBondContact O-N 3.37Å; R121-K125 CarbonylContact C-O 3.53Å; R121-K125 WeakPolarHBondContact CA-O 3.37Å |
| 122 | L | 89.3 | Confident | 92.1 | Very high | 36 Ų | 36 | 62.7 Ų | 62.7 | 19% | 0.188 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 113.8 | 174.3 | -58.6 | -175.5 | 0 | 0 | 0 | 109.3 | P64 M67 L75 L120 S124 K125 I127 | P64-L122 HydrophobicContact CG-CB 3.78Å; M67-L122 HydrophobicContact CE-CD1 3.94Å; M67-L122 HydrophobicContact SD-CD1 4.1Å; L75-L122 HydrophobicContact CD2-CD1 4.11Å; L120-L122 HydrophobicContact CD2-CD2 3.88Å; L120-L122 HydrophobicContact CD2-CG 4.49Å; L120-L122 HydrophobicContact CG-CD2 4.13Å; L122-S124 PolarHBondContact O-N 3.46Å; L122-S124 VanDerWaalsContact O-N 3.17Å; L122-K125 CarbonylContact C-O 3.56Å; L122-K125 PolarHBondContact N-O 3.15Å; L122-K125 PolarHBondContact O-N 3.24Å; L122-K125 VanDerWaalsContact O-O 3.05Å; L122-I127 HydrophobicContact CB-CG2 4.41Å; L122-I127 HydrophobicContact CD1-CD1 4.36Å; L122-I127 HydrophobicContact CD1-CG2 3.67Å; L122-I127 HydrophobicContact CG-CG2 4Å |
| 123 | Q | 86.9 | Confident | 91.5 | Very high | 136 Ų | 136 | 60.4 Ų | 60.4 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | -116.8 | -175.3 | -57 | 171.4 | 5.9 | 0 | 0 | 111.5 | S66 | S66-Q123 PolarHBondContact OG-NE2 3.4Å; S66-Q123 VanDerWaalsContact OG-NE2 3.09Å; S66-Q123 PolarHBondContact OG-OE1 3.06Å |
| 124 | S | 85.3 | Confident | 90.6 | Very high | 105 Ų | 105 | 64.7 Ų | 64.7 | 73% | 0.734 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 4 | 178.4 | 59.1 | 0 | 0 | 0 | 0 | 114 | L122 | L122-S124 PolarHBondContact O-N 3.46Å; L122-S124 VanDerWaalsContact O-N 3.17Å |
| 125 | K | 87.9 | Confident | 89.3 | Confident | 67 Ų | 67 | 68.6 Ų | 68.6 | 29% | 0.291 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 148.4 | -176.2 | -61 | -168.7 | -177 | -177.9 | 0 | 112.1 | Y62 L63 R121 L122 | Y62-K125 VanDerWaalsContact O-CB 3.24Å; Y62-K125 WeakPolarHBondContact O-CB 3.39Å; Y62-K125 WeakPolarHBondContact O-CD 3.29Å; L63-K125 WeakPolarHBondContact O-CD 3.48Å; L63-K125 PolarHBondContact O-NZ 3.03Å; R121-K125 CarbonylContact C-O 3.53Å; R121-K125 WeakPolarHBondContact CA-O 3.37Å; L122-K125 CarbonylContact C-O 3.56Å; L122-K125 PolarHBondContact N-O 3.15Å; L122-K125 PolarHBondContact O-N 3.24Å; L122-K125 VanDerWaalsContact O-O 3.05Å |
| 126 | T | 91.9 | Very high | 88.2 | Confident | 77 Ų | 77 | 66.3 Ų | 66.3 | 47% | 0.472 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 115.6 | 169.4 | -59.3 | 0 | 0 | 0 | 0 | 107.3 | Y62 G119 L120 | Y62-T126 WeakPolarHBondContact CB-O 3.46Å; G119-T126 WeakPolarHBondContact O-CG2 3.23Å; L120-T126 WeakPolarHBondContact O-CA 3.14Å |
| 127 | I | 93.9 | Very high | 87.1 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | trans | -73.3 | 145.8 | -177.3 | 69 | 172.7 | 0 | 0 | 0 | 110.1 | V60 N61 L63 L75 L117 G119 L120 L122 V129 | V60-I127 HydrophobicContact CG1-CB 4.32Å; V60-I127 HydrophobicContact CG1-CD1 4.24Å; N61-I127 WeakPolarHBondContact O-CA 3.41Å; L63-I127 HydrophobicContact CD2-CG2 3.83Å; L75-I127 HydrophobicContact CD2-CD1 4.32Å; L117-I127 WeakPolarHBondContact O-CG1 3.34Å; G119-I127 WeakPolarHBondContact CA-O 3.29Å; G119-I127 PolarHBondContact N-O 3.35Å; L120-I127 HydrophobicContact CB-CD1 4.04Å; L120-I127 HydrophobicContact CB-CG1 3.93Å; L120-I127 HydrophobicContact CD2-CD1 4.43Å; L120-I127 WeakPolarHBondContact O-CG1 3.42Å; L120-I127 PolarHBondContact O-N 2.87Å; L122-I127 HydrophobicContact CB-CG2 4.41Å; L122-I127 HydrophobicContact CD1-CD1 4.36Å; L122-I127 HydrophobicContact CD1-CG2 3.67Å; L122-I127 HydrophobicContact CG-CG2 4Å; I127-V129 HydrophobicContact CD1-CG2 4.13Å; I127-V129 HydrophobicContact CG1-CG2 4.37Å | ||
| 128 | K | 92.9 | Very high | 86 | Confident | 70 Ų | 70 | 71 Ų | 71 | 30% | 0.304 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 120.1 | 173.7 | -177.7 | 176.2 | 179.1 | 176.4 | 0 | 109.1 | V60 N61 Y62 N118 | V60-K128 CarbonylContact C-O 3.6Å; V60-K128 WeakPolarHBondContact CA-O 3.22Å; N61-K128 HydrophobicContact CB-CB 4.33Å; N61-K128 PolarHBondContact N-O 2.87Å; N61-K128 PolarHBondContact O-N 3.45Å; Y62-K128 HydrophobicContact CD2-CB 3.72Å; Y62-K128 HydrophobicContact CE2-CB 3.83Å; Y62-K128 HydrophobicContact CE2-CD 4.25Å; N118-K128 WeakPolarHBondContact OD1-CA 3.12Å |
| 129 | V | 94.8 | Very high | 85.1 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.012 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 131 | -179.9 | -169.8 | 0 | 0 | 0 | 0 | 108.2 | L58 V60 F76 I114 L117 N118 I127 | L58-V129 HydrophobicContact CB-CG1 4.37Å; L58-V129 HydrophobicContact CD1-CG1 3.82Å; V60-V129 HydrophobicContact CG1-CG2 4.21Å; F76-V129 HydrophobicContact CE1-CG1 3.91Å; F76-V129 HydrophobicContact CE1-CG2 4.31Å; F76-V129 HydrophobicContact CZ-CG1 4.21Å; F76-V129 HydrophobicContact CZ-CG2 3.88Å; I114-V129 HydrophobicContact CG1-CG1 3.96Å; L117-V129 HydrophobicContact CB-CG2 4.18Å; N118-V129 HydrophobicContact CB-CB 4.08Å; N118-V129 HydrophobicContact CB-CG2 4.48Å; N118-V129 PolarHBondContact OD1-N 2.83Å; I127-V129 HydrophobicContact CD1-CG2 4.13Å; I127-V129 HydrophobicContact CG1-CG2 4.37Å |
| 130 | S | 92.4 | Very high | 84.3 | Confident | 40 Ų | 40 | 71.5 Ų | 71.5 | 28% | 0.28 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 164.1 | 175.5 | 59.5 | 0 | 0 | 0 | 0 | 109.9 | L58 I59 A132 | L58-S130 CarbonylContact C-O 3.48Å; L58-S130 WeakPolarHBondContact CA-O 3.34Å; I59-S130 WeakPolarHBondContact CG2-OG 3.39Å; I59-S130 PolarHBondContact N-O 3.34Å; I59-S130 PolarHBondContact O-N 2.79Å; I59-S130 VanDerWaalsContact O-N 3.13Å; S130-A132 PolarHBondContact O-N 3.11Å |
| 131 | F | 92.6 | Very high | 83.6 | Confident | 44 Ų | 44 | 71.8 Ų | 71.8 | 19% | 0.193 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 134.3 | 171.1 | -68.1 | -66.1 | 0 | 0 | 0 | 111.1 | R55 L58 H107 A110 I114 | R55-F131 HydrophobicContact CB-CD1 3.56Å; R55-F131 HydrophobicContact CB-CE1 3.91Å; R55-F131 HydrophobicContact CB-CG 4.1Å; R55-F131 WeakPolarHBondContact O-CE1 3.23Å; L58-F131 HydrophobicContact CD2-CD1 3.51Å; L58-F131 HydrophobicContact CD2-CE1 3.82Å; L58-F131 HydrophobicContact CD2-CG 4.28Å; H107-F131 AromaticContact CE1-CZ 3.71Å; A110-F131 HydrophobicContact CB-CE1 4.14Å; I114-F131 HydrophobicContact CD1-CD1 3.96Å; I114-F131 HydrophobicContact CD1-CD2 3.66Å; I114-F131 HydrophobicContact CD1-CE1 3.79Å; I114-F131 HydrophobicContact CD1-CE2 3.51Å; I114-F131 HydrophobicContact CD1-CG 3.88Å; I114-F131 HydrophobicContact CD1-CZ 3.58Å |
| 132 | A | 88.7 | Confident | 83.3 | Confident | 10 Ų | 10 | 62.9 Ų | 62.9 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 141.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109 | N57 I59 F101 S130 | N57-A132 HydrophobicContact CB-CB 4.04Å; N57-A132 WeakPolarHBondContact O-CB 3.38Å; N57-A132 PolarHBondContact O-N 2.94Å; I59-A132 HydrophobicContact CB-CB 4.21Å; F101-A132 HydrophobicContact CD1-CB 3.88Å; F101-A132 HydrophobicContact CE1-CB 4.07Å; S130-A132 PolarHBondContact O-N 3.11Å |
| 133 | R | 81.9 | Confident | 83.5 | Confident | 70 Ų | 70 | 62.9 Ų | 62.9 | 26% | 0.264 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -98.1 | 144.5 | 173.3 | -65.6 | -180 | 62.5 | -142.2 | -2.8 | 109.7 | S135 D191 | R133-S135 PolarHBondContact O-N 3.18Å; R133-D191 VanDerWaalsContact CZ-O 3.31Å; R133-D191 IonicContact CZ-OD1 3.06Å; R133-D191 IonicContact CZ-OD2 2.71Å; R133-D191 IonicContact NE-OD1 3.87Å; R133-D191 PolarHBondContact NE-OD1 2.89Å; R133-D191 PolarHBondContact NH1-O 3.32Å; R133-D191 IonicContact NH1-OD1 2.67Å; R133-D191 PolarHBondContact NH1-OD1 3Å; R133-D191 PolarHBondContact NH2-O 3.28Å; R133-D191 IonicContact NH2-OD1 3.58Å; R133-D191 PolarHBondContact NH2-OD1 3.2Å; R133-D191 IonicContact NH2-OD2 2.86Å; R133-D191 PolarHBondContact NH2-OD2 3.02Å |
| 134 | P | 76.3 | Confident | 83.8 | Confident | 90 Ų | 90 | 56.4 Ų | 56.4 | 58% | 0.584 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 133.4 | 171.6 | -24.7 | 33.5 | 0 | 0 | 0 | 110.3 | S136 I139 | P134-S136 PolarHBondContact O-N 3.5Å; P134-I139 VanDerWaalsContact O-CD1 3.23Å; P134-I139 WeakPolarHBondContact O-CD1 3.49Å |
| 135 | S | 69.4 | Low | 84.2 | Confident | 113 Ų | 113 | 55.3 Ų | 55.3 | 79% | 0.79 | 30% | 0.299 | S | S | * | . | trans | -71 | 101.7 | 176.9 | -68.8 | 0 | 0 | 0 | 0 | 109.3 | R133 | R133-S135 PolarHBondContact O-N 3.18Š| ||
| 136 | S | 70.2 | Confident | 84.5 | Confident | 50 Ų | 50 | 52.1 Ų | 52.1 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | trans | -115.4 | 153.6 | 173.1 | -171.9 | 0 | 0 | 0 | 0 | 110.9 | P134 T138 I139 | P134-S136 PolarHBondContact O-N 3.5Å; S136-T138 PolarHBondContact O-N 2.99Å; S136-T138 PolarHBondContact OG-OG1 3.43Å; S136-I139 WeakPolarHBondContact O-CG1 3.42Å; S136-I139 PolarHBondContact O-N 2.83Å | ||
| 137 | D | 69.2 | Low | 84.5 | Confident | 121 Ų | 121 | 49.7 Ų | 49.7 | 65% | 0.647 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -65.1 | -24.9 | 174 | -70.9 | -42.3 | 0 | 0 | 0 | 111.9 | I139 K140 | D137-I139 PolarHBondContact O-N 3.23Å; D137-K140 PolarHBondContact O-N 3.18Å; D137-K140 WeakPolarHBondContact OD1-CE 3.18Å; D137-K140 IonicContact OD1-NZ 3.99Å; D137-K140 PolarHBondContact OD1-NZ 2.9Å |
| 138 | T | 71.6 | Confident | 84.3 | Confident | 85 Ų | 85 | 51 Ų | 51 | 52% | 0.521 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -70.1 | -17.8 | 177.8 | 59.3 | 0 | 0 | 0 | 0 | 114 | S136 R193 | S136-T138 PolarHBondContact O-N 2.99Å; S136-T138 PolarHBondContact OG-OG1 3.43Å; T138-R193 WeakPolarHBondContact O-CB 3.26Å; T138-R193 PolarHBondContact O-N 2.83Å |
| 139 | I | 74.1 | Confident | 84.2 | Confident | 24 Ų | 24 | 48.2 Ų | 48.2 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -100.2 | -4.8 | 179.4 | 68.9 | 155.1 | 0 | 0 | 0 | 112.6 | P134 S136 D137 D191 | P134-I139 VanDerWaalsContact O-CD1 3.23Å; P134-I139 WeakPolarHBondContact O-CD1 3.49Å; S136-I139 WeakPolarHBondContact O-CG1 3.42Å; S136-I139 PolarHBondContact O-N 2.83Å; D137-I139 PolarHBondContact O-N 3.23Å; I139-D191 WeakPolarHBondContact CG2-O 3.12Å |
| 140 | K | 74.6 | Confident | 83.9 | Confident | 109 Ų | 109 | 48.9 Ų | 48.9 | 47% | 0.474 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 147 | 172.6 | -63.6 | 177.3 | -172.3 | 166.9 | 0 | 108.8 | D137 A142 | D137-K140 PolarHBondContact O-N 3.18Å; D137-K140 WeakPolarHBondContact OD1-CE 3.18Å; D137-K140 IonicContact OD1-NZ 3.99Å; D137-K140 PolarHBondContact OD1-NZ 2.9Å; K140-A142 PolarHBondContact O-N 3.02Å; K140-A142 VanDerWaalsContact O-N 3.13Å |
| 141 | D | 77.7 | Confident | 83.6 | Confident | 69 Ų | 69 | 55.1 Ų | 55.1 | 37% | 0.369 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 24.4 | 176.4 | -52.3 | -34.6 | 0 | 0 | 0 | 115.9 | N143 R193 F219 | D141-N143 PolarHBondContact O-N 2.89Å; D141-R193 IonicContact OD2-NH1 2.89Å; D141-F219 WeakPolarHBondContact O-CD1 3.39Å; D141-F219 VanDerWaalsContact O-CE1 3.26Å; D141-F219 WeakPolarHBondContact O-CE1 3.27Å |
| 142 | A | 88.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | -83.9 | 17.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | K140 R189 Y190 A196 | K140-A142 PolarHBondContact O-N 3.02Å; K140-A142 VanDerWaalsContact O-N 3.13Å; A142-R189 WeakPolarHBondContact O-CA 3.07Å; A142-Y190 PolarHBondContact O-N 2.85Å; A142-A196 HydrophobicContact CB-CB 4.45Å | ||
| 143 | N | 91.6 | Very high | 83.2 | Confident | 36 Ų | 36 | 58.9 Ų | 58.9 | 19% | 0.193 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 127.6 | 180 | -63.1 | -27.3 | 0 | 0 | 0 | 109.4 | D141 I188 R189 A220 N222 | D141-N143 PolarHBondContact O-N 2.89Å; N143-I188 CarbonylContact C-O 3.52Å; N143-R189 WeakPolarHBondContact OD1-CB 3.23Å; N143-R189 WeakPolarHBondContact OD1-CD 3.5Å; N143-R189 WeakPolarHBondContact OD1-CG 3.41Å; N143-A220 HydrophobicContact CB-CB 3.91Å; N143-A220 PolarHBondContact O-N 2.63Å; N143-N222 PolarHBondContact ND2-OD1 2.92Å |
| 144 | L | 93.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 142.4 | 176.1 | -59.5 | -172.8 | 0 | 0 | 0 | 110.9 | I146 F162 F187 I188 Y190 A196 A199 V200 V217 K218 F219 | L144-I146 HydrophobicContact CB-CD1 4.05Å; L144-F162 HydrophobicContact CD1-CE1 4.48Å; L144-F187 VanDerWaalsContact O-CA 3.26Å; L144-F187 WeakPolarHBondContact O-CA 3.13Å; L144-I188 PolarHBondContact N-O 3.2Å; L144-I188 PolarHBondContact O-N 3.41Å; L144-I188 VanDerWaalsContact O-N 3.07Å; L144-Y190 HydrophobicContact CD1-CD2 3.99Å; L144-Y190 HydrophobicContact CD1-CE2 3.61Å; L144-Y190 HydrophobicContact CG-CD2 4.38Å; L144-Y190 HydrophobicContact CG-CE2 4.44Å; L144-A196 HydrophobicContact CD1-CB 4.31Å; L144-A196 HydrophobicContact CD2-CB 3.92Å; L144-A196 HydrophobicContact CG-CB 4.09Å; L144-A199 HydrophobicContact CD1-CB 3.95Å; L144-V200 HydrophobicContact CD1-CG2 4.13Å; L144-V200 HydrophobicContact CD2-CG2 3.48Å; L144-V200 VanDerWaalsContact CD2-CG2 3.48Å; L144-V200 HydrophobicContact CG-CG2 4.45Å; L144-V217 HydrophobicContact CB-CG1 4.45Å; L144-V217 HydrophobicContact CD1-CG1 3.83Å; L144-K218 CarbonylContact C-O 3.52Å; L144-K218 VanDerWaalsContact CA-O 3.32Å; L144-K218 WeakPolarHBondContact CA-O 3.42Å; L144-F219 HydrophobicContact CD2-CD1 3.9Å; L144-F219 HydrophobicContact CD2-CE1 3.92Å; L144-F219 HydrophobicContact CD2-CG 4.38Å; L144-F219 HydrophobicContact CD2-CZ 4.4Å |
| 145 | Y | 94.4 | Very high | 84.2 | Confident | 82 Ų | 82 | 58 Ų | 58 | 32% | 0.322 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 125.1 | 167.1 | 174.6 | -91.7 | 0 | 0 | 0 | 108 | V185 F187 K218 | Y145-V185 HydrophobicContact CD2-CG1 4.01Å; Y145-V185 HydrophobicContact CE2-CG1 3.24Å; Y145-F187 HydrophobicContact CD2-CD1 4.37Å; Y145-F187 AromaticContact CD2-CE1 3.63Å; Y145-F187 HydrophobicContact CD2-CE1 3.63Å; Y145-F187 HydrophobicContact CD2-CE2 4.34Å; Y145-F187 AromaticContact CD2-CZ 3.61Å; Y145-F187 HydrophobicContact CD2-CZ 3.61Å; Y145-F187 HydrophobicContact CE2-CZ 4.12Å; Y145-F187 HydrophobicContact CG-CE1 4.43Å; Y145-K218 PolarHBondContact N-O 3.27Å; Y145-K218 PolarHBondContact O-N 3.39Å |
| 146 | I | 94.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 127.5 | 179.9 | -52.9 | 86.9 | 0 | 0 | 0 | 107.8 | L144 L149 F162 V185 A186 I188 I215 T216 V217 | L144-I146 HydrophobicContact CB-CD1 4.05Å; I146-L149 HydrophobicContact CB-CD1 4.24Å; I146-L149 HydrophobicContact CG2-CD1 3.86Å; I146-L149 HydrophobicContact CG2-CD2 3.84Å; I146-L149 HydrophobicContact CG2-CG 3.81Å; I146-F162 HydrophobicContact CD1-CZ 4.44Å; I146-F162 HydrophobicContact CG1-CE1 4.12Å; I146-F162 HydrophobicContact CG1-CE2 4.28Å; I146-F162 HydrophobicContact CG1-CZ 3.63Å; I146-F162 HydrophobicContact CG2-CZ 4.22Å; I146-V185 CarbonylContact O-C 3.49Å; I146-V185 WeakPolarHBondContact O-CA 3.26Å; I146-V185 WeakPolarHBondContact O-CG1 3.35Å; I146-A186 HydrophobicContact CB-CB 4.48Å; I146-A186 WeakPolarHBondContact CD1-O 3.44Å; I146-A186 PolarHBondContact N-O 3.44Å; I146-A186 PolarHBondContact O-N 2.8Å; I146-I188 HydrophobicContact CD1-CB 4.01Å; I146-I188 HydrophobicContact CD1-CD1 3.89Å; I146-I188 HydrophobicContact CD1-CG1 3.75Å; I146-I215 HydrophobicContact CG2-CB 4.37Å; I146-I215 HydrophobicContact CG2-CD1 4.38Å; I146-T216 CarbonylContact C-O 3.57Å; I146-T216 VanDerWaalsContact CA-O 3.3Å; I146-T216 WeakPolarHBondContact CA-O 3.44Å; I146-V217 HydrophobicContact CG1-CG1 4.29Å; I146-V217 HydrophobicContact CG1-CG2 4.42Å; I146-V217 HydrophobicContact CG2-CG2 4.31Å |
| 147 | S | 92.8 | Very high | 86.1 | Confident | 26 Ų | 26 | 59 Ų | 59 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 159.4 | 174.5 | 58.4 | 0 | 0 | 0 | 0 | 112 | G184 I215 T216 | S147-G184 CarbonylContact C-O 3.56Å; S147-G184 WeakPolarHBondContact CA-O 3.49Å; S147-I215 CarbonylContact O-C 3.58Å; S147-I215 WeakPolarHBondContact O-CA 3.48Å; S147-T216 PolarHBondContact N-O 3.39Å; S147-T216 PolarHBondContact O-N 3.43Å |
| 148 | G | 89.2 | Confident | 87.2 | Confident | 31 Ų | 31 | 53.3 Ų | 53.3 | 32% | 0.32 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 84 | 20.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G184 I215 | G148-G184 PolarHBondContact N-O 3.06Å; G148-I215 WeakPolarHBondContact O-CG2 3.41Å |
| 149 | L | 90.6 | Very high | 88.2 | Confident | 10 Ų | 10 | 51.9 Ų | 51.9 | 5% | 0.052 | 26% | 0.264 | C | S | . | . | trans | -75.4 | 141.2 | 174.8 | -65 | 167.4 | 0 | 0 | 0 | 110.2 | I146 L153 L158 G184 A186 I215 | I146-L149 HydrophobicContact CB-CD1 4.24Å; I146-L149 HydrophobicContact CG2-CD1 3.86Å; I146-L149 HydrophobicContact CG2-CD2 3.84Å; I146-L149 HydrophobicContact CG2-CG 3.81Å; L149-L153 HydrophobicContact CD2-CD1 4.14Å; L149-L153 HydrophobicContact CD2-CD2 4.27Å; L149-L158 HydrophobicContact CD1-CD1 3.9Å; L149-L158 HydrophobicContact CD2-CD1 4.02Å; L149-G184 PolarHBondContact N-O 2.9Å; L149-G184 WeakPolarHBondContact O-CA 3.43Å; L149-A186 HydrophobicContact CD1-CB 3.46Å; L149-A186 VanDerWaalsContact CD1-CB 3.46Å; L149-I215 HydrophobicContact CD2-CG2 3.68Å; L149-I215 HydrophobicContact CG-CG2 4.34Å | ||
| 150 | P | 88.6 | Confident | 89 | Confident | 17 Ų | 17 | 55 Ų | 55 | 11% | 0.11 | 28% | 0.281 | C | S | . | . | trans | -57.1 | 142.9 | 170.9 | -23 | 33 | 0 | 0 | 0 | 110.7 | T152 L153 P208 G211 | P150-T152 PolarHBondContact O-N 3Å; P150-L153 HydrophobicContact CB-CB 4.2Å; P150-L153 HydrophobicContact CG-CB 4.43Å; P150-L153 WeakPolarHBondContact O-CB 3.39Å; P150-L153 PolarHBondContact O-N 2.85Å; P150-P208 VanDerWaalsContact CD-CG 3.44Å; P150-P208 HydrophobicContact CG-CB 4.48Å; P150-P208 HydrophobicContact CG-CG 3.78Å; P150-G211 VanDerWaalsContact CG-CA 3.49Å | ||
| 151 | R | 86.7 | Confident | 89.7 | Confident | 170 Ų | 170 | 51.5 Ų | 51.5 | 64% | 0.642 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -19.7 | 179 | -62.1 | -174.4 | -173.9 | -94.1 | 5.2 | 113.1 | S182 | R151-S182 PolarHBondContact NH1-O 3.24Å; R151-S182 WeakPolarHBondContact O-CB 3.21Å |
| 152 | T | 86.1 | Confident | 90.4 | Very high | 118 Ų | 118 | 48.2 Ų | 48.2 | 72% | 0.724 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -15.2 | 175.7 | 51.5 | 0 | 0 | 0 | 0 | 113.1 | P150 S154 | P150-T152 PolarHBondContact O-N 3Å; T152-S154 PolarHBondContact O-N 2.67Å |
| 153 | L | 86.3 | Confident | 90.7 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | trans | -73.3 | 121.6 | -176.4 | -169.7 | 147.8 | 0 | 0 | 0 | 110 | L149 P150 D157 L158 P208 | L149-L153 HydrophobicContact CD2-CD1 4.14Å; L149-L153 HydrophobicContact CD2-CD2 4.27Å; P150-L153 HydrophobicContact CB-CB 4.2Å; P150-L153 HydrophobicContact CG-CB 4.43Å; P150-L153 WeakPolarHBondContact O-CB 3.39Å; P150-L153 PolarHBondContact O-N 2.85Å; L153-D157 HydrophobicContact CD2-CB 4.4Å; L153-D157 HydrophobicContact CG-CB 4.09Å; L153-L158 HydrophobicContact CD2-CB 3.79Å; L153-L158 HydrophobicContact CD2-CD1 4.18Å; L153-P208 HydrophobicContact CD1-CB 3.96Å | ||
| 154 | S | 88.9 | Confident | 90.7 | Very high | 51 Ų | 51 | 54 Ų | 54 | 36% | 0.357 | 29% | 0.292 | S | S | . | . | trans | -85.5 | 167.8 | -178.1 | 78.3 | 0 | 0 | 0 | 0 | 112.1 | T152 Q156 D157 L158 | T152-S154 PolarHBondContact O-N 2.67Å; S154-Q156 PolarHBondContact O-N 3.46Å; S154-Q156 PolarHBondContact OG-N 3.02Å; S154-D157 VanDerWaalsContact CB-OD2 3.27Å; S154-D157 WeakPolarHBondContact CB-OD2 3.3Å; S154-D157 PolarHBondContact N-OD2 2.67Å; S154-D157 PolarHBondContact O-N 2.82Å; S154-D157 PolarHBondContact OG-N 3.32Å; S154-D157 PolarHBondContact OG-OD2 3.03Å; S154-L158 PolarHBondContact O-N 2.83Å; S154-L158 VanDerWaalsContact O-N 3.12Å | ||
| 155 | Q | 89.2 | Confident | 90.6 | Very high | 89 Ų | 89 | 56.4 Ų | 56.4 | 42% | 0.416 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.2 | -33.8 | 174.4 | -178.6 | 175 | -17.4 | 0 | 0 | 112.3 | L158 E159 S171 V173 | Q155-L158 WeakPolarHBondContact O-CB 3.32Å; Q155-L158 PolarHBondContact O-N 3.41Å; Q155-E159 PolarHBondContact O-N 2.79Å; Q155-S171 PolarHBondContact NE2-O 3.14Å; Q155-S171 PolarHBondContact NE2-OG 3.43Å; Q155-V173 HydrophobicContact CB-CG2 4.02Å |
| 156 | Q | 90.6 | Very high | 90.4 | Very high | 106 Ų | 106 | 53.4 Ų | 53.4 | 50% | 0.495 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.7 | -47.3 | 178.2 | -173.9 | 62.7 | 49.3 | 0 | 0 | 110.9 | S154 L158 E159 D160 | S154-Q156 PolarHBondContact O-N 3.46Å; S154-Q156 PolarHBondContact OG-N 3.02Å; Q156-L158 PolarHBondContact O-N 2.76Å; Q156-E159 WeakPolarHBondContact O-CA 3.38Å; Q156-E159 WeakPolarHBondContact O-CB 3.26Å; Q156-E159 PolarHBondContact O-N 2.85Å; Q156-D160 PolarHBondContact NE2-OD1 2.8Å; Q156-D160 VanDerWaalsContact O-CG 3.29Å; Q156-D160 PolarHBondContact O-N 2.83Å |
| 157 | D | 90 | Very high | 90.3 | Very high | 80 Ų | 80 | 60.9 Ų | 60.9 | 43% | 0.428 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.5 | -36 | 177.6 | -53.6 | -49.7 | 0 | 0 | 0 | 111.4 | L153 S154 M161 | L153-D157 HydrophobicContact CD2-CB 4.4Å; L153-D157 HydrophobicContact CG-CB 4.09Å; S154-D157 VanDerWaalsContact CB-OD2 3.27Å; S154-D157 WeakPolarHBondContact CB-OD2 3.3Å; S154-D157 PolarHBondContact N-OD2 2.67Å; S154-D157 PolarHBondContact O-N 2.82Å; S154-D157 PolarHBondContact OG-N 3.32Å; S154-D157 PolarHBondContact OG-OD2 3.03Å; D157-M161 WeakPolarHBondContact O-CB 3.15Å; D157-M161 PolarHBondContact O-N 3.34Å; D157-M161 VanDerWaalsContact O-N 3.14Å |
| 158 | L | 90.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 174 | -173.9 | 74.1 | 0 | 0 | 0 | 111.3 | L149 L153 S154 Q155 Q156 M161 F162 V173 A186 I188 | L149-L158 HydrophobicContact CD1-CD1 3.9Å; L149-L158 HydrophobicContact CD2-CD1 4.02Å; L153-L158 HydrophobicContact CD2-CB 3.79Å; L153-L158 HydrophobicContact CD2-CD1 4.18Å; S154-L158 PolarHBondContact O-N 2.83Å; S154-L158 VanDerWaalsContact O-N 3.12Å; Q155-L158 WeakPolarHBondContact O-CB 3.32Å; Q155-L158 PolarHBondContact O-N 3.41Å; Q156-L158 PolarHBondContact O-N 2.76Å; L158-M161 HydrophobicContact CD1-CE 4.37Å; L158-M161 PolarHBondContact O-N 2.8Å; L158-F162 HydrophobicContact CD1-CD2 3.76Å; L158-F162 HydrophobicContact CD1-CE2 3.57Å; L158-F162 HydrophobicContact CG-CD2 4.21Å; L158-F162 HydrophobicContact CG-CE2 4.47Å; L158-F162 WeakPolarHBondContact O-CB 3.49Å; L158-F162 WeakPolarHBondContact O-CD2 3.36Å; L158-F162 PolarHBondContact O-N 3.39Å; L158-F162 VanDerWaalsContact O-N 3.12Å; L158-V173 HydrophobicContact CD2-CG2 4.19Å; L158-A186 HydrophobicContact CD1-CB 4.43Å; L158-A186 HydrophobicContact CD2-CB 3.37Å; L158-I188 HydrophobicContact CD1-CD1 4.12Å; L158-I188 HydrophobicContact CD2-CD1 3.9Å; L158-I188 HydrophobicContact CD2-CG1 3.94Å; L158-I188 HydrophobicContact CG-CD1 3.76Å; L158-I188 HydrophobicContact CG-CG1 4.36Å |
| 159 | E | 92.4 | Very high | 90.2 | Very high | 55 Ų | 55 | 62.2 Ų | 62.2 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 177.4 | -107.6 | 168.8 | 177.4 | 0 | 0 | 111.4 | Q155 Q156 M161 F162 S163 I168 S171 | Q155-E159 PolarHBondContact O-N 2.79Å; Q156-E159 WeakPolarHBondContact O-CA 3.38Å; Q156-E159 WeakPolarHBondContact O-CB 3.26Å; Q156-E159 PolarHBondContact O-N 2.85Å; E159-M161 VanDerWaalsContact C-N 3.29Å; E159-M161 PolarHBondContact O-N 2.8Å; E159-F162 PolarHBondContact O-N 3.01Å; E159-S163 WeakPolarHBondContact O-CA 3.36Å; E159-S163 WeakPolarHBondContact O-CB 3.4Å; E159-S163 PolarHBondContact O-N 2.87Å; E159-S163 PolarHBondContact O-OG 3.19Å; E159-I168 HydrophobicContact CB-CD1 4.4Å; E159-I168 HydrophobicContact CG-CD1 3.79Å; E159-I168 HydrophobicContact CG-CG2 4.3Å; E159-S171 WeakPolarHBondContact OE1-CB 3.16Å; E159-S171 PolarHBondContact OE1-OG 3.04Å |
| 160 | D | 91.3 | Very high | 90 | Very high | 91 Ų | 91 | 63.9 Ų | 63.9 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62 | -36.7 | -179.2 | -62.6 | -21.4 | 0 | 0 | 0 | 112 | Q156 S163 | Q156-D160 PolarHBondContact NE2-OD1 2.8Å; Q156-D160 VanDerWaalsContact O-CG 3.29Å; Q156-D160 PolarHBondContact O-N 2.83Å; D160-S163 PolarHBondContact O-OG 3.16Å |
| 161 | M | 89.9 | Confident | 90.1 | Very high | 35 Ų | 35 | 63.2 Ų | 63.2 | 17% | 0.172 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -73.1 | -33.3 | 178.1 | -175.1 | 171.7 | 65.6 | 0 | 0 | 113.2 | D157 L158 E159 S164 L203 P208 I215 | D157-M161 WeakPolarHBondContact O-CB 3.15Å; D157-M161 PolarHBondContact O-N 3.34Å; D157-M161 VanDerWaalsContact O-N 3.14Å; L158-M161 HydrophobicContact CD1-CE 4.37Å; L158-M161 PolarHBondContact O-N 2.8Å; E159-M161 VanDerWaalsContact C-N 3.29Å; E159-M161 PolarHBondContact O-N 2.8Å; M161-S164 PolarHBondContact O-OG 2.88Å; M161-L203 HydrophobicContact CG-CD2 4.44Å; M161-P208 HydrophobicContact CE-CB 4.48Å; M161-P208 HydrophobicContact SD-CB 4.31Å; M161-I215 HydrophobicContact CE-CD1 3.98Å |
| 162 | F | 92.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -97.3 | -17.7 | -176 | -83.6 | -97.2 | 0 | 0 | 0 | 112.9 | L144 I146 L158 E159 S164 F165 I168 I188 Y190 A199 L203 I215 V217 | L144-F162 HydrophobicContact CD1-CE1 4.48Å; I146-F162 HydrophobicContact CD1-CZ 4.44Å; I146-F162 HydrophobicContact CG1-CE1 4.12Å; I146-F162 HydrophobicContact CG1-CE2 4.28Å; I146-F162 HydrophobicContact CG1-CZ 3.63Å; I146-F162 HydrophobicContact CG2-CZ 4.22Å; L158-F162 HydrophobicContact CD1-CD2 3.76Å; L158-F162 HydrophobicContact CD1-CE2 3.57Å; L158-F162 HydrophobicContact CG-CD2 4.21Å; L158-F162 HydrophobicContact CG-CE2 4.47Å; L158-F162 WeakPolarHBondContact O-CB 3.49Å; L158-F162 WeakPolarHBondContact O-CD2 3.36Å; L158-F162 PolarHBondContact O-N 3.39Å; L158-F162 VanDerWaalsContact O-N 3.12Å; E159-F162 PolarHBondContact O-N 3.01Å; F162-S164 PolarHBondContact O-N 2.84Å; F162-F165 PolarHBondContact O-N 3.39Å; F162-I168 HydrophobicContact CB-CD1 3.85Å; F162-I188 HydrophobicContact CB-CD1 3.56Å; F162-I188 HydrophobicContact CD1-CD1 3.53Å; F162-I188 HydrophobicContact CD2-CD1 3.41Å; F162-I188 VanDerWaalsContact CD2-CD1 3.41Å; F162-I188 HydrophobicContact CE1-CD1 4.02Å; F162-I188 HydrophobicContact CE2-CD1 3.88Å; F162-I188 HydrophobicContact CG-CD1 3.21Å; F162-I188 HydrophobicContact CZ-CD1 4.19Å; F162-Y190 WeakPolarHBondContact CB-OH 3.32Å; F162-Y190 HydrophobicContact CD1-CE2 4.4Å; F162-Y190 WeakPolarHBondContact CD1-OH 3.02Å; F162-Y190 PolarHBondContact O-OH 3.07Å; F162-A199 HydrophobicContact CD1-CB 4.27Å; F162-A199 HydrophobicContact CE1-CB 4.5Å; F162-L203 HydrophobicContact CD1-CD1 3.46Å; F162-L203 VanDerWaalsContact CD1-CD1 3.46Å; F162-L203 HydrophobicContact CD2-CD1 4.02Å; F162-L203 HydrophobicContact CE1-CB 4.45Å; F162-L203 HydrophobicContact CE1-CD1 3.38Å; F162-L203 HydrophobicContact CE2-CD1 3.97Å; F162-L203 HydrophobicContact CG-CD1 3.78Å; F162-L203 HydrophobicContact CZ-CB 4.45Å; F162-L203 HydrophobicContact CZ-CD1 3.64Å; F162-I215 HydrophobicContact CE2-CD1 4.42Å; F162-I215 HydrophobicContact CZ-CD1 4.25Å; F162-V217 HydrophobicContact CE1-CG1 4.02Å; F162-V217 HydrophobicContact CE1-CG2 4.22Å; F162-V217 HydrophobicContact CZ-CG1 4.39Å; F162-V217 HydrophobicContact CZ-CG2 3.87Å |
| 163 | S | 93.7 | Very high | 90.5 | Very high | 66 Ų | 66 | 57 Ų | 57 | 46% | 0.462 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -65.8 | -20.9 | -178.3 | 59.1 | 0 | 0 | 0 | 0 | 113.1 | E159 D160 F165 G166 | E159-S163 WeakPolarHBondContact O-CA 3.36Å; E159-S163 WeakPolarHBondContact O-CB 3.4Å; E159-S163 PolarHBondContact O-N 2.87Å; E159-S163 PolarHBondContact O-OG 3.19Å; D160-S163 PolarHBondContact O-OG 3.16Å; S163-F165 PolarHBondContact O-N 3.3Å; S163-G166 PolarHBondContact O-N 2.95Å |
| 164 | S | 92.6 | Very high | 90.7 | Very high | 90 Ų | 90 | 58.3 Ų | 58.3 | 63% | 0.629 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -66.4 | -21.1 | 177 | 57.8 | 0 | 0 | 0 | 0 | 114 | M161 F162 | M161-S164 PolarHBondContact O-OG 2.88Å; F162-S164 PolarHBondContact O-N 2.84Å |
| 165 | F | 92 | Very high | 90.7 | Very high | 52 Ų | 52 | 59.7 Ų | 59.7 | 23% | 0.228 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -96.6 | -10.7 | -176.4 | -60.2 | -80.8 | 0 | 0 | 0 | 113.6 | F162 S163 Y190 E195 A199 H202 L203 | F162-F165 PolarHBondContact O-N 3.39Å; S163-F165 PolarHBondContact O-N 3.3Å; F165-Y190 HydrophobicContact CB-CE1 4.46Å; F165-E195 WeakPolarHBondContact O-CB 3.44Å; F165-A199 HydrophobicContact CB-CB 3.85Å; F165-A199 HydrophobicContact CD2-CB 4.28Å; F165-A199 HydrophobicContact CG-CB 3.98Å; F165-H202 HydrophobicContact CD1-CB 4.46Å; F165-H202 HydrophobicContact CE1-CB 3.47Å; F165-H202 VanDerWaalsContact CE1-CB 3.47Å; F165-H202 AromaticContact CE1-CG 3.8Å; F165-H202 AromaticContact CE1-ND1 3.93Å; F165-H202 HydrophobicContact CZ-CB 3.8Å; F165-L203 HydrophobicContact CD2-CD1 3.76Å; F165-L203 HydrophobicContact CD2-CG 4.25Å; F165-L203 HydrophobicContact CE2-CD1 3.38Å; F165-L203 HydrophobicContact CE2-CD2 3.8Å; F165-L203 HydrophobicContact CE2-CG 3.48Å; F165-L203 VanDerWaalsContact CE2-CG 3.48Å; F165-L203 HydrophobicContact CZ-CD1 4.19Å; F165-L203 HydrophobicContact CZ-CD2 4Å; F165-L203 HydrophobicContact CZ-CG 3.77Å |
| 166 | G | 90.6 | Very high | 90.6 | Very high | 18 Ų | 18 | 58.1 Ų | 58.1 | 19% | 0.186 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 159.9 | 178.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S163 I168 Y190 | S163-G166 PolarHBondContact O-N 2.95Å; G166-I168 PolarHBondContact O-N 3.06Å; G166-Y190 WeakPolarHBondContact O-CE1 3.47Å |
| 167 | R | 90.3 | Very high | 90.2 | Very high | 158 Ų | 158 | 62.3 Ų | 62.3 | 60% | 0.596 | 32% | 0.319 | S | S | * | . | trans | -77.1 | 117.2 | -177.6 | -174.9 | -176.8 | -170.7 | -160.5 | 7.1 | 110.5 | Y190 D191 | R167-Y190 CarbonylContact O-C 3.49Å; R167-Y190 WeakPolarHBondContact O-CA 3.49Å; R167-D191 HydrophobicContact CB-CB 3.93Å; R167-D191 HydrophobicContact CG-CB 4.49Å; R167-D191 PolarHBondContact O-N 2.95Å | ||
| 168 | I | 91.8 | Very high | 90 | Very high | 29 Ų | 29 | 63.1 Ų | 63.1 | 15% | 0.149 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 124.6 | 176.1 | -62.4 | 170.9 | 0 | 0 | 0 | 109.7 | E159 F162 G166 I188 Y190 | E159-I168 HydrophobicContact CB-CD1 4.4Å; E159-I168 HydrophobicContact CG-CD1 3.79Å; E159-I168 HydrophobicContact CG-CG2 4.3Å; F162-I168 HydrophobicContact CB-CD1 3.85Å; G166-I168 PolarHBondContact O-N 3.06Å; I168-I188 HydrophobicContact CD1-CG2 4.35Å; I168-I188 HydrophobicContact CG1-CG2 4.06Å; I168-I188 HydrophobicContact CG2-CG2 4.1Å; I168-Y190 HydrophobicContact CG1-CD1 4.35Å; I168-Y190 HydrophobicContact CG1-CE1 3.93Å |
| 169 | I | 87.9 | Confident | 89.7 | Confident | 56 Ų | 56 | 66.3 Ų | 66.3 | 29% | 0.287 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -36.9 | 175.7 | -61.3 | -57.8 | 0 | 0 | 0 | 111.4 | R189 D191 | I169-R189 HydrophobicContact CB-CG 4.24Å; I169-R189 PolarHBondContact N-O 2.85Å; I169-D191 HydrophobicContact CD1-CB 4.14Å; I169-D191 WeakPolarHBondContact CD1-OD1 3.47Å; I169-D191 HydrophobicContact CG1-CB 4.16Å |
| 170 | N | 87.8 | Confident | 89.3 | Confident | 44 Ų | 44 | 66.2 Ų | 66.2 | 24% | 0.235 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 130.2 | 175.3 | -175.7 | -122.8 | 0 | 0 | 0 | 110.7 | I188 R189 | N170-I188 CarbonylContact O-C 3.48Å; N170-I188 WeakPolarHBondContact O-CA 3.35Å; N170-R189 HydrophobicContact CB-CB 4.27Å; N170-R189 PolarHBondContact N-O 3.23Å; N170-R189 PolarHBondContact O-N 3.12Å |
| 171 | S | 91.3 | Very high | 89 | Confident | 4 Ų | 4 | 66.9 Ų | 66.9 | 3% | 0.028 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 146.1 | 165.9 | 58.2 | 0 | 0 | 0 | 0 | 108.9 | Q155 E159 F187 | Q155-S171 PolarHBondContact NE2-O 3.14Å; Q155-S171 PolarHBondContact NE2-OG 3.43Å; E159-S171 WeakPolarHBondContact OE1-CB 3.16Å; E159-S171 PolarHBondContact OE1-OG 3.04Å; S171-F187 CarbonylContact C-O 3.56Å; S171-F187 WeakPolarHBondContact CA-O 3.49Å |
| 172 | R | 89.7 | Confident | 88.9 | Confident | 133 Ų | 133 | 65.8 Ų | 65.8 | 50% | 0.502 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 121.1 | 173.2 | -178.7 | 177.3 | 175.5 | 178.8 | -0.6 | 111 | A186 F187 | R172-A186 CarbonylContact O-C 3.55Å; R172-A186 WeakPolarHBondContact O-CA 3.49Å; R172-A186 WeakPolarHBondContact O-CB 3.49Å; R172-F187 PolarHBondContact N-O 2.88Å; R172-F187 PolarHBondContact O-N 2.98Å |
| 173 | V | 91.1 | Very high | 88.7 | Confident | 24 Ų | 24 | 73 Ų | 73 | 15% | 0.145 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 132.8 | 167.8 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | Q155 L158 A186 | Q155-V173 HydrophobicContact CB-CG2 4.02Å; L158-V173 HydrophobicContact CD2-CG2 4.19Å; V173-A186 HydrophobicContact CG2-CB 4.23Å |
| 174 | L | 89.8 | Confident | 88.6 | Confident | 43 Ų | 43 | 70.1 Ų | 70.1 | 23% | 0.225 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 119.6 | 172.5 | -74.7 | -174.6 | 0 | 0 | 0 | 109.8 | R183 V185 F187 | L174-R183 HydrophobicContact CB-CB 4.41Å; L174-R183 WeakPolarHBondContact O-CB 3.35Å; L174-R183 PolarHBondContact O-N 3.2Å; L174-V185 HydrophobicContact CB-CB 4.4Å; L174-V185 WeakPolarHBondContact CB-O 3.37Å; L174-V185 HydrophobicContact CD1-CB 4.26Å; L174-V185 HydrophobicContact CD1-CG1 3.85Å; L174-V185 HydrophobicContact CG-CG1 4.45Å; L174-V185 PolarHBondContact N-O 2.76Å; L174-F187 HydrophobicContact CD1-CD2 4.5Å; L174-F187 HydrophobicContact CD1-CE2 3.75Å; L174-F187 HydrophobicContact CD2-CE2 4.39Å; L174-F187 HydrophobicContact CG-CD2 4.28Å; L174-F187 HydrophobicContact CG-CE2 4Å |
| 175 | V | 89 | Confident | 88.5 | Confident | 80 Ų | 80 | 66.6 Ų | 66.6 | 49% | 0.485 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 148.1 | 170 | -62.2 | 0 | 0 | 0 | 0 | 110.2 | L181 | V175-L181 CarbonylContact C-O 3.48Å; V175-L181 WeakPolarHBondContact CA-O 3.49Å |
| 176 | D | 87.4 | Confident | 88.6 | Confident | 56 Ų | 56 | 64.1 Ų | 64.1 | 30% | 0.299 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 128.3 | 169.4 | 177.2 | 56.7 | 0 | 0 | 0 | 109.4 | A178 S179 G180 L181 R183 | D176-A178 VanDerWaalsContact C-N 3.27Å; D176-A178 PolarHBondContact O-N 3.33Å; D176-A178 PolarHBondContact OD2-N 3.12Å; D176-S179 WeakPolarHBondContact CB-OG 3.49Å; D176-S179 WeakPolarHBondContact OD2-CB 3.41Å; D176-S179 PolarHBondContact OD2-N 3.46Å; D176-S179 PolarHBondContact OD2-OG 2.88Å; D176-G180 VanDerWaalsContact O-CA 3.22Å; D176-G180 WeakPolarHBondContact O-CA 3.22Å; D176-G180 PolarHBondContact O-N 3.19Å; D176-L181 PolarHBondContact N-O 2.77Å; D176-R183 HydrophobicContact CB-CG 4.13Å |
| 177 | Q | 82.1 | Confident | 88.8 | Confident | 194 Ų | 194 | 66.8 Ų | 66.8 | 91% | 0.907 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -24.4 | -173.4 | -71.1 | -175.1 | -27.4 | 0 | 0 | 112.8 | ||
| 178 | A | 85.1 | Confident | 89 | Confident | 98 Ų | 98 | 59.3 Ų | 59.3 | 81% | 0.81 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -45.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | D176 | D176-A178 VanDerWaalsContact C-N 3.27Å; D176-A178 PolarHBondContact O-N 3.33Å; D176-A178 PolarHBondContact OD2-N 3.12Å |
| 179 | S | 85.7 | Confident | 88.9 | Confident | 67 Ų | 67 | 62.1 Ų | 62.1 | 47% | 0.469 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -14.8 | -175.7 | 61.1 | 0 | 0 | 0 | 0 | 114.6 | D176 L181 | D176-S179 WeakPolarHBondContact CB-OG 3.49Å; D176-S179 WeakPolarHBondContact OD2-CB 3.41Å; D176-S179 PolarHBondContact OD2-N 3.46Å; D176-S179 PolarHBondContact OD2-OG 2.88Å; S179-L181 PolarHBondContact O-N 3.34Å; S179-L181 PolarHBondContact OG-N 2.97Å |
| 180 | G | 83 | Confident | 89.2 | Confident | 53 Ų | 53 | 59.5 Ų | 59.5 | 55% | 0.546 | 32% | 0.318 | S | S | . | . | trans | 70 | 0.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D176 | D176-G180 VanDerWaalsContact O-CA 3.22Å; D176-G180 WeakPolarHBondContact O-CA 3.22Å; D176-G180 PolarHBondContact O-N 3.19Å | ||
| 181 | L | 85.2 | Confident | 89.1 | Confident | 105 Ų | 105 | 58.3 Ų | 58.3 | 55% | 0.55 | 31% | 0.312 | S | S | . | . | trans | -80.5 | 145.6 | -176.5 | -65.7 | 173.8 | 0 | 0 | 0 | 111.6 | V175 D176 S179 R183 | V175-L181 CarbonylContact C-O 3.48Å; V175-L181 WeakPolarHBondContact CA-O 3.49Å; D176-L181 PolarHBondContact N-O 2.77Å; S179-L181 PolarHBondContact O-N 3.34Å; S179-L181 PolarHBondContact OG-N 2.97Å; L181-R183 PolarHBondContact O-N 2.75Å | ||
| 182 | S | 88.3 | Confident | 89 | Confident | 12 Ų | 12 | 62.7 Ų | 62.7 | 8% | 0.084 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 134.7 | 173.1 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | R151 G184 | R151-S182 PolarHBondContact NH1-O 3.24Å; R151-S182 WeakPolarHBondContact O-CB 3.21Å; S182-G184 PolarHBondContact O-N 2.79Å; S182-G184 PolarHBondContact OG-N 2.86Å |
| 183 | R | 89.6 | Confident | 89 | Confident | 150 Ų | 150 | 60.3 Ų | 60.3 | 57% | 0.566 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 0.7 | 174.6 | -66 | -179.8 | 60.8 | 158.2 | 0.8 | 112.6 | L174 D176 L181 V185 | L174-R183 HydrophobicContact CB-CB 4.41Å; L174-R183 WeakPolarHBondContact O-CB 3.35Å; L174-R183 PolarHBondContact O-N 3.2Å; D176-R183 HydrophobicContact CB-CG 4.13Å; L181-R183 PolarHBondContact O-N 2.75Å; R183-V185 PolarHBondContact O-N 2.8Å |
| 184 | G | 89.6 | Confident | 89 | Confident | 6 Ų | 6 | 62.2 Ų | 62.2 | 6% | 0.062 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 67.5 | 24.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S147 G148 L149 S182 | S147-G184 CarbonylContact C-O 3.56Å; S147-G184 WeakPolarHBondContact CA-O 3.49Å; G148-G184 PolarHBondContact N-O 3.06Å; L149-G184 PolarHBondContact N-O 2.9Å; L149-G184 WeakPolarHBondContact O-CA 3.43Å; S182-G184 PolarHBondContact O-N 2.79Å; S182-G184 PolarHBondContact OG-N 2.86Å |
| 185 | V | 92.4 | Very high | 89.2 | Confident | 17 Ų | 17 | 61.7 Ų | 61.7 | 10% | 0.103 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 137.5 | -179.2 | 177.2 | 0 | 0 | 0 | 0 | 109.1 | Y145 I146 L174 R183 | Y145-V185 HydrophobicContact CD2-CG1 4.01Å; Y145-V185 HydrophobicContact CE2-CG1 3.24Å; I146-V185 CarbonylContact O-C 3.49Å; I146-V185 WeakPolarHBondContact O-CA 3.26Å; I146-V185 WeakPolarHBondContact O-CG1 3.35Å; L174-V185 HydrophobicContact CB-CB 4.4Å; L174-V185 WeakPolarHBondContact CB-O 3.37Å; L174-V185 HydrophobicContact CD1-CB 4.26Å; L174-V185 HydrophobicContact CD1-CG1 3.85Å; L174-V185 HydrophobicContact CG-CG1 4.45Å; L174-V185 PolarHBondContact N-O 2.76Å; R183-V185 PolarHBondContact O-N 2.8Å |
| 186 | A | 93.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 162.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I146 L149 L158 R172 V173 | I146-A186 HydrophobicContact CB-CB 4.48Å; I146-A186 WeakPolarHBondContact CD1-O 3.44Å; I146-A186 PolarHBondContact N-O 3.44Å; I146-A186 PolarHBondContact O-N 2.8Å; L149-A186 HydrophobicContact CD1-CB 3.46Å; L149-A186 VanDerWaalsContact CD1-CB 3.46Å; L158-A186 HydrophobicContact CD1-CB 4.43Å; L158-A186 HydrophobicContact CD2-CB 3.37Å; R172-A186 CarbonylContact O-C 3.55Å; R172-A186 WeakPolarHBondContact O-CA 3.49Å; R172-A186 WeakPolarHBondContact O-CB 3.49Å; V173-A186 HydrophobicContact CG2-CB 4.23Å |
| 187 | F | 94.1 | Very high | 89.7 | Confident | 73 Ų | 73 | 58.4 Ų | 58.4 | 32% | 0.32 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136.6 | 171 | -68.2 | -89.3 | 0 | 0 | 0 | 109.6 | L144 Y145 S171 R172 L174 A220 | L144-F187 VanDerWaalsContact O-CA 3.26Å; L144-F187 WeakPolarHBondContact O-CA 3.13Å; Y145-F187 HydrophobicContact CD2-CD1 4.37Å; Y145-F187 AromaticContact CD2-CE1 3.63Å; Y145-F187 HydrophobicContact CD2-CE1 3.63Å; Y145-F187 HydrophobicContact CD2-CE2 4.34Å; Y145-F187 AromaticContact CD2-CZ 3.61Å; Y145-F187 HydrophobicContact CD2-CZ 3.61Å; Y145-F187 HydrophobicContact CE2-CZ 4.12Å; Y145-F187 HydrophobicContact CG-CE1 4.43Å; S171-F187 CarbonylContact C-O 3.56Å; S171-F187 WeakPolarHBondContact CA-O 3.49Å; R172-F187 PolarHBondContact N-O 2.88Å; R172-F187 PolarHBondContact O-N 2.98Å; L174-F187 HydrophobicContact CD1-CD2 4.5Å; L174-F187 HydrophobicContact CD1-CE2 3.75Å; L174-F187 HydrophobicContact CD2-CE2 4.39Å; L174-F187 HydrophobicContact CG-CD2 4.28Å; L174-F187 HydrophobicContact CG-CE2 4Å; F187-A220 HydrophobicContact CD1-CB 3.97Å; F187-A220 HydrophobicContact CE1-CB 3.97Å |
| 188 | I | 93.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 134.8 | 173.2 | -64.7 | 174.8 | 0 | 0 | 0 | 108 | N143 L144 I146 L158 F162 I168 N170 Y190 | N143-I188 CarbonylContact C-O 3.52Å; L144-I188 PolarHBondContact N-O 3.2Å; L144-I188 PolarHBondContact O-N 3.41Å; L144-I188 VanDerWaalsContact O-N 3.07Å; I146-I188 HydrophobicContact CD1-CB 4.01Å; I146-I188 HydrophobicContact CD1-CD1 3.89Å; I146-I188 HydrophobicContact CD1-CG1 3.75Å; L158-I188 HydrophobicContact CD1-CD1 4.12Å; L158-I188 HydrophobicContact CD2-CD1 3.9Å; L158-I188 HydrophobicContact CD2-CG1 3.94Å; L158-I188 HydrophobicContact CG-CD1 3.76Å; L158-I188 HydrophobicContact CG-CG1 4.36Å; F162-I188 HydrophobicContact CB-CD1 3.56Å; F162-I188 HydrophobicContact CD1-CD1 3.53Å; F162-I188 HydrophobicContact CD2-CD1 3.41Å; F162-I188 VanDerWaalsContact CD2-CD1 3.41Å; F162-I188 HydrophobicContact CE1-CD1 4.02Å; F162-I188 HydrophobicContact CE2-CD1 3.88Å; F162-I188 HydrophobicContact CG-CD1 3.21Å; F162-I188 HydrophobicContact CZ-CD1 4.19Å; I168-I188 HydrophobicContact CD1-CG2 4.35Å; I168-I188 HydrophobicContact CG1-CG2 4.06Å; I168-I188 HydrophobicContact CG2-CG2 4.1Å; N170-I188 CarbonylContact O-C 3.48Å; N170-I188 WeakPolarHBondContact O-CA 3.35Å; I188-Y190 HydrophobicContact CG2-CD2 4.12Å; I188-Y190 HydrophobicContact CG2-CE2 3.88Å |
| 189 | R | 91.4 | Very high | 90.7 | Very high | 89 Ų | 89 | 47.7 Ų | 47.7 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 121.2 | 171.4 | 179.3 | 172.2 | -172.1 | -176.4 | 0.7 | 108.7 | A142 N143 I169 N170 | A142-R189 WeakPolarHBondContact O-CA 3.07Å; N143-R189 WeakPolarHBondContact OD1-CB 3.23Å; N143-R189 WeakPolarHBondContact OD1-CD 3.5Å; N143-R189 WeakPolarHBondContact OD1-CG 3.41Å; I169-R189 HydrophobicContact CB-CG 4.24Å; I169-R189 PolarHBondContact N-O 2.85Å; N170-R189 HydrophobicContact CB-CB 4.27Å; N170-R189 PolarHBondContact N-O 3.23Å; N170-R189 PolarHBondContact O-N 3.12Å |
| 190 | Y | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 166 | 172.3 | -78.4 | -78.6 | 0 | 0 | 0 | 112.5 | A142 L144 F162 F165 G166 R167 I168 I188 K192 E195 A196 A199 | A142-Y190 PolarHBondContact O-N 2.85Å; L144-Y190 HydrophobicContact CD1-CD2 3.99Å; L144-Y190 HydrophobicContact CD1-CE2 3.61Å; L144-Y190 HydrophobicContact CG-CD2 4.38Å; L144-Y190 HydrophobicContact CG-CE2 4.44Å; F162-Y190 WeakPolarHBondContact CB-OH 3.32Å; F162-Y190 HydrophobicContact CD1-CE2 4.4Å; F162-Y190 WeakPolarHBondContact CD1-OH 3.02Å; F162-Y190 PolarHBondContact O-OH 3.07Å; F165-Y190 HydrophobicContact CB-CE1 4.46Å; G166-Y190 WeakPolarHBondContact O-CE1 3.47Å; R167-Y190 CarbonylContact O-C 3.49Å; R167-Y190 WeakPolarHBondContact O-CA 3.49Å; I168-Y190 HydrophobicContact CG1-CD1 4.35Å; I168-Y190 HydrophobicContact CG1-CE1 3.93Å; I188-Y190 HydrophobicContact CG2-CD2 4.12Å; I188-Y190 HydrophobicContact CG2-CE2 3.88Å; Y190-K192 WeakPolarHBondContact CB-O 3.37Å; Y190-E195 HydrophobicContact CD1-CB 3.88Å; Y190-E195 HydrophobicContact CG-CB 4.04Å; Y190-A196 HydrophobicContact CD2-CB 3.75Å; Y190-A196 HydrophobicContact CG-CB 4.33Å; Y190-A199 HydrophobicContact CE2-CB 3.69Å; Y190-A199 WeakPolarHBondContact OH-CB 3.37Å |
| 191 | D | 87.4 | Confident | 91.6 | Very high | 19 Ų | 19 | 49.9 Ų | 49.9 | 10% | 0.102 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -68 | -41.5 | 174.2 | -167.7 | 72.1 | 0 | 0 | 0 | 110.4 | R133 I139 R167 I169 E195 | R133-D191 VanDerWaalsContact CZ-O 3.31Å; R133-D191 IonicContact CZ-OD1 3.06Å; R133-D191 IonicContact CZ-OD2 2.71Å; R133-D191 IonicContact NE-OD1 3.87Å; R133-D191 PolarHBondContact NE-OD1 2.89Å; R133-D191 PolarHBondContact NH1-O 3.32Å; R133-D191 IonicContact NH1-OD1 2.67Å; R133-D191 PolarHBondContact NH1-OD1 3Å; R133-D191 PolarHBondContact NH2-O 3.28Å; R133-D191 IonicContact NH2-OD1 3.58Å; R133-D191 PolarHBondContact NH2-OD1 3.2Å; R133-D191 IonicContact NH2-OD2 2.86Å; R133-D191 PolarHBondContact NH2-OD2 3.02Å; I139-D191 WeakPolarHBondContact CG2-O 3.12Å; R167-D191 HydrophobicContact CB-CB 3.93Å; R167-D191 HydrophobicContact CG-CB 4.49Å; R167-D191 PolarHBondContact O-N 2.95Å; I169-D191 HydrophobicContact CD1-CB 4.14Å; I169-D191 WeakPolarHBondContact CD1-OD1 3.47Å; I169-D191 HydrophobicContact CG1-CB 4.16Å; D191-E195 WeakPolarHBondContact CB-OE2 3.29Å; D191-E195 PolarHBondContact N-OE2 2.71Å |
| 192 | K | 89.3 | Confident | 91.9 | Very high | 97 Ų | 97 | 50.6 Ų | 50.6 | 42% | 0.422 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -126.2 | 152 | -179.5 | -59.2 | 174.5 | -174.5 | 172.1 | 0 | 112 | Y190 S194 E195 A196 | Y190-K192 WeakPolarHBondContact CB-O 3.37Å; K192-S194 VanDerWaalsContact C-N 3.32Å; K192-S194 PolarHBondContact O-N 2.95Å; K192-E195 HydrophobicContact CB-CG 4.06Å; K192-E195 PolarHBondContact N-OE2 3.46Å; K192-E195 PolarHBondContact O-N 2.78Å; K192-A196 PolarHBondContact O-N 2.94Å |
| 193 | R | 89.4 | Confident | 92 | Very high | 83 Ų | 83 | 50.6 Ų | 50.6 | 31% | 0.313 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.5 | -38.1 | 174.3 | -176.8 | -178.2 | 170.9 | 101.7 | 12 | 112.3 | T138 D141 E195 A196 E197 | T138-R193 WeakPolarHBondContact O-CB 3.26Å; T138-R193 PolarHBondContact O-N 2.83Å; D141-R193 IonicContact OD2-NH1 2.89Å; R193-E195 VanDerWaalsContact C-N 3.32Å; R193-E195 PolarHBondContact O-N 3.45Å; R193-A196 WeakPolarHBondContact O-CB 3.31Å; R193-A196 PolarHBondContact O-N 3.28Å; R193-A196 VanDerWaalsContact O-N 3.13Å; R193-E197 HydrophobicContact CG-CG 4.38Å; R193-E197 IonicContact CZ-OE1 3.44Å; R193-E197 IonicContact NE-OE1 3.61Å; R193-E197 PolarHBondContact NE-OE1 3.48Å; R193-E197 IonicContact NH2-OE1 2.9Å; R193-E197 PolarHBondContact NH2-OE1 3.01Å; R193-E197 WeakPolarHBondContact O-CG 3.15Å; R193-E197 PolarHBondContact O-N 2.84Å |
| 194 | S | 91 | Very high | 92.1 | Very high | 63 Ų | 63 | 47.1 Ų | 47.1 | 44% | 0.441 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.4 | -42 | 179 | 54.5 | 0 | 0 | 0 | 0 | 112.4 | K192 A196 E197 D198 | K192-S194 VanDerWaalsContact C-N 3.32Å; K192-S194 PolarHBondContact O-N 2.95Å; S194-A196 VanDerWaalsContact C-N 3.31Å; S194-A196 PolarHBondContact O-N 2.9Å; S194-E197 WeakPolarHBondContact O-CB 3.47Å; S194-E197 PolarHBondContact O-N 3.44Å; S194-D198 PolarHBondContact O-N 3.32Å |
| 195 | E | 93.5 | Very high | 92.1 | Very high | 32 Ų | 32 | 49.1 Ų | 49.1 | 15% | 0.15 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -41.4 | 175.5 | -62.4 | 168.3 | 166.4 | 0 | 0 | 111.1 | F165 Y190 D191 K192 R193 D198 A199 | F165-E195 WeakPolarHBondContact O-CB 3.44Å; Y190-E195 HydrophobicContact CD1-CB 3.88Å; Y190-E195 HydrophobicContact CG-CB 4.04Å; D191-E195 WeakPolarHBondContact CB-OE2 3.29Å; D191-E195 PolarHBondContact N-OE2 2.71Å; K192-E195 HydrophobicContact CB-CG 4.06Å; K192-E195 PolarHBondContact N-OE2 3.46Å; K192-E195 PolarHBondContact O-N 2.78Å; R193-E195 VanDerWaalsContact C-N 3.32Å; R193-E195 PolarHBondContact O-N 3.45Å; E195-D198 PolarHBondContact O-N 3.01Å; E195-A199 WeakPolarHBondContact O-CB 3.38Å; E195-A199 PolarHBondContact O-N 3.41Å |
| 196 | A | 92.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.7 | -39 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A142 L144 Y190 K192 R193 S194 V200 F219 | A142-A196 HydrophobicContact CB-CB 4.45Å; L144-A196 HydrophobicContact CD1-CB 4.31Å; L144-A196 HydrophobicContact CD2-CB 3.92Å; L144-A196 HydrophobicContact CG-CB 4.09Å; Y190-A196 HydrophobicContact CD2-CB 3.75Å; Y190-A196 HydrophobicContact CG-CB 4.33Å; K192-A196 PolarHBondContact O-N 2.94Å; R193-A196 WeakPolarHBondContact O-CB 3.31Å; R193-A196 PolarHBondContact O-N 3.28Å; R193-A196 VanDerWaalsContact O-N 3.13Å; S194-A196 VanDerWaalsContact C-N 3.31Å; S194-A196 PolarHBondContact O-N 2.9Å; A196-V200 VanDerWaalsContact O-CG2 3.25Å; A196-V200 WeakPolarHBondContact O-CG2 3.46Å; A196-V200 PolarHBondContact O-N 2.85Å; A196-F219 HydrophobicContact CB-CE1 3.95Å; A196-F219 HydrophobicContact CB-CZ 4.43Å |
| 197 | E | 93.2 | Very high | 91.6 | Very high | 68 Ų | 68 | 56.1 Ų | 56.1 | 32% | 0.318 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 175.2 | -72.7 | 176.1 | 173.9 | 0 | 0 | 111.5 | R193 S194 V200 K201 F219 | R193-E197 HydrophobicContact CG-CG 4.38Å; R193-E197 IonicContact CZ-OE1 3.44Å; R193-E197 IonicContact NE-OE1 3.61Å; R193-E197 PolarHBondContact NE-OE1 3.48Å; R193-E197 IonicContact NH2-OE1 2.9Å; R193-E197 PolarHBondContact NH2-OE1 3.01Å; R193-E197 WeakPolarHBondContact O-CG 3.15Å; R193-E197 PolarHBondContact O-N 2.84Å; S194-E197 WeakPolarHBondContact O-CB 3.47Å; S194-E197 PolarHBondContact O-N 3.44Å; E197-V200 PolarHBondContact O-N 3.46Å; E197-K201 VanDerWaalsContact O-CG 3.3Å; E197-K201 WeakPolarHBondContact O-CG 3.33Å; E197-K201 PolarHBondContact O-N 3.21Å; E197-F219 HydrophobicContact CB-CZ 4.39Å; E197-F219 HydrophobicContact CG-CE2 4.14Å; E197-F219 HydrophobicContact CG-CZ 3.51Å |
| 198 | D | 94.5 | Very high | 91.1 | Very high | 66 Ų | 66 | 52.8 Ų | 52.8 | 35% | 0.353 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70 | -37.8 | 179.3 | -71.4 | -16.2 | 0 | 0 | 0 | 111.9 | S194 E195 V200 K201 H202 | S194-D198 PolarHBondContact O-N 3.32Å; E195-D198 PolarHBondContact O-N 3.01Å; D198-V200 PolarHBondContact O-N 2.92Å; D198-K201 PolarHBondContact O-N 3.04Å; D198-K201 IonicContact OD1-NZ 3.03Å; D198-K201 PolarHBondContact OD1-NZ 3.48Å; D198-H202 PolarHBondContact O-N 2.86Å; D198-H202 VanDerWaalsContact O-N 3.15Å; D198-H202 PolarHBondContact O-ND1 2.81Å |
| 199 | A | 94.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.2 | -44 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L144 F162 F165 Y190 E195 K201 H202 L203 | L144-A199 HydrophobicContact CD1-CB 3.95Å; F162-A199 HydrophobicContact CD1-CB 4.27Å; F162-A199 HydrophobicContact CE1-CB 4.5Å; F165-A199 HydrophobicContact CB-CB 3.85Å; F165-A199 HydrophobicContact CD2-CB 4.28Å; F165-A199 HydrophobicContact CG-CB 3.98Å; Y190-A199 HydrophobicContact CE2-CB 3.69Å; Y190-A199 WeakPolarHBondContact OH-CB 3.37Å; E195-A199 WeakPolarHBondContact O-CB 3.38Å; E195-A199 PolarHBondContact O-N 3.41Å; A199-K201 PolarHBondContact O-N 2.81Å; A199-H202 PolarHBondContact O-N 3.31Å; A199-L203 VanDerWaalsContact O-CB 3.29Å; A199-L203 WeakPolarHBondContact O-CB 3.45Å; A199-L203 PolarHBondContact O-N 2.94Å |
| 200 | V | 93.9 | Very high | 89.4 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 18% | 0.176 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 176.4 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | L144 A196 E197 D198 H202 N204 V217 F219 | L144-V200 HydrophobicContact CD1-CG2 4.13Å; L144-V200 HydrophobicContact CD2-CG2 3.48Å; L144-V200 VanDerWaalsContact CD2-CG2 3.48Å; L144-V200 HydrophobicContact CG-CG2 4.45Å; A196-V200 VanDerWaalsContact O-CG2 3.25Å; A196-V200 WeakPolarHBondContact O-CG2 3.46Å; A196-V200 PolarHBondContact O-N 2.85Å; E197-V200 PolarHBondContact O-N 3.46Å; D198-V200 PolarHBondContact O-N 2.92Å; V200-H202 VanDerWaalsContact C-N 3.35Å; V200-H202 PolarHBondContact O-N 3.31Å; V200-N204 WeakPolarHBondContact O-CB 3.33Å; V200-N204 PolarHBondContact O-N 2.62Å; V200-V217 HydrophobicContact CG2-CG1 3.83Å; V200-F219 HydrophobicContact CG2-CE2 4.27Å; V200-F219 HydrophobicContact CG2-CZ 4.47Å |
| 201 | K | 93.4 | Very high | 88.6 | Confident | 137 Ų | 137 | 58.3 Ų | 58.3 | 60% | 0.596 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.7 | -39.5 | -178.7 | -72.2 | 169 | -161.7 | 156.9 | 0 | 112.8 | E197 D198 A199 | E197-K201 VanDerWaalsContact O-CG 3.3Å; E197-K201 WeakPolarHBondContact O-CG 3.33Å; E197-K201 PolarHBondContact O-N 3.21Å; D198-K201 PolarHBondContact O-N 3.04Å; D198-K201 IonicContact OD1-NZ 3.03Å; D198-K201 PolarHBondContact OD1-NZ 3.48Å; A199-K201 PolarHBondContact O-N 2.81Å |
| 202 | H | 91.4 | Very high | 88.1 | Confident | 121 Ų | 121 | 63.3 Ų | 63.3 | 56% | 0.56 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -95.9 | -31.9 | -171.6 | -64.5 | 93.1 | 0 | 0 | 0 | 113.9 | F165 D198 A199 V200 | F165-H202 HydrophobicContact CD1-CB 4.46Å; F165-H202 HydrophobicContact CE1-CB 3.47Å; F165-H202 VanDerWaalsContact CE1-CB 3.47Å; F165-H202 AromaticContact CE1-CG 3.8Å; F165-H202 AromaticContact CE1-ND1 3.93Å; F165-H202 HydrophobicContact CZ-CB 3.8Å; D198-H202 PolarHBondContact O-N 2.86Å; D198-H202 VanDerWaalsContact O-N 3.15Å; D198-H202 PolarHBondContact O-ND1 2.81Å; A199-H202 PolarHBondContact O-N 3.31Å; V200-H202 VanDerWaalsContact C-N 3.35Å; V200-H202 PolarHBondContact O-N 3.31Å |
| 203 | L | 91.3 | Very high | 87.8 | Confident | 11 Ų | 11 | 65.2 Ų | 65.2 | 6% | 0.058 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -99.2 | -17 | -175.6 | -66.1 | 177.6 | 0 | 0 | 0 | 113.8 | M161 F162 F165 A199 G205 H206 I215 V217 | M161-L203 HydrophobicContact CG-CD2 4.44Å; F162-L203 HydrophobicContact CD1-CD1 3.46Å; F162-L203 VanDerWaalsContact CD1-CD1 3.46Å; F162-L203 HydrophobicContact CD2-CD1 4.02Å; F162-L203 HydrophobicContact CE1-CB 4.45Å; F162-L203 HydrophobicContact CE1-CD1 3.38Å; F162-L203 HydrophobicContact CE2-CD1 3.97Å; F162-L203 HydrophobicContact CG-CD1 3.78Å; F162-L203 HydrophobicContact CZ-CB 4.45Å; F162-L203 HydrophobicContact CZ-CD1 3.64Å; F165-L203 HydrophobicContact CD2-CD1 3.76Å; F165-L203 HydrophobicContact CD2-CG 4.25Å; F165-L203 HydrophobicContact CE2-CD1 3.38Å; F165-L203 HydrophobicContact CE2-CD2 3.8Å; F165-L203 HydrophobicContact CE2-CG 3.48Å; F165-L203 VanDerWaalsContact CE2-CG 3.48Å; F165-L203 HydrophobicContact CZ-CD1 4.19Å; F165-L203 HydrophobicContact CZ-CD2 4Å; F165-L203 HydrophobicContact CZ-CG 3.77Å; A199-L203 VanDerWaalsContact O-CB 3.29Å; A199-L203 WeakPolarHBondContact O-CB 3.45Å; A199-L203 PolarHBondContact O-N 2.94Å; L203-G205 PolarHBondContact O-N 3.47Å; L203-H206 VanDerWaalsContact O-CB 3.29Å; L203-H206 WeakPolarHBondContact O-CB 3.43Å; L203-H206 PolarHBondContact O-N 3.25Å; L203-H206 VanDerWaalsContact O-N 3.07Å; L203-I215 HydrophobicContact CB-CD1 4.42Å; L203-I215 WeakPolarHBondContact O-CG1 3.32Å; L203-V217 HydrophobicContact CB-CG2 4.04Å |
| 204 | N | 91.8 | Very high | 87.8 | Confident | 77 Ų | 77 | 64.8 Ų | 64.8 | 41% | 0.412 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 118.6 | 176.1 | -175.9 | 53.4 | 0 | 0 | 0 | 110.6 | V200 T216 V217 | V200-N204 WeakPolarHBondContact O-CB 3.33Å; V200-N204 PolarHBondContact O-N 2.62Å; N204-T216 WeakPolarHBondContact OD1-CA 3.26Å; N204-V217 HydrophobicContact CB-CB 4.13Å; N204-V217 PolarHBondContact OD1-N 2.86Å; N204-V217 PolarHBondContact OD1-O 3.43Å |
| 205 | G | 88.7 | Confident | 87.9 | Confident | 48 Ų | 48 | 61.8 Ų | 61.8 | 50% | 0.495 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | -2.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L203 P214 I215 | L203-G205 PolarHBondContact O-N 3.47Å; G205-P214 VanDerWaalsContact O-CB 3.28Å; G205-P214 WeakPolarHBondContact O-CB 3.48Å; G205-I215 WeakPolarHBondContact CA-O 3.3Å; G205-I215 PolarHBondContact N-O 2.97Å |
| 206 | H | 88.8 | Confident | 87.9 | Confident | 94 Ų | 94 | 62.3 Ų | 62.3 | 44% | 0.435 | 37% | 0.372 | S | S | . | . | trans | -74.9 | 146 | 178.8 | -169.4 | -90.4 | 0 | 0 | 0 | 111.4 | L203 P208 P214 I215 | L203-H206 VanDerWaalsContact O-CB 3.29Å; L203-H206 WeakPolarHBondContact O-CB 3.43Å; L203-H206 PolarHBondContact O-N 3.25Å; L203-H206 VanDerWaalsContact O-N 3.07Å; H206-P208 WeakPolarHBondContact O-CD 3.44Å; H206-P214 CarbonylContact O-C 3.57Å; H206-P214 WeakPolarHBondContact O-CA 3.5Å; H206-I215 WeakPolarHBondContact O-CG1 3.08Å; H206-I215 PolarHBondContact O-N 3.13Å | ||
| 207 | V | 88.3 | Confident | 88 | Confident | 71 Ų | 71 | 62.4 Ų | 62.4 | 43% | 0.43 | 37% | 0.372 | S | S | . | . | trans | -96 | 114.1 | 176 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | G211 P214 | V207-G211 VanDerWaalsContact CG1-O 3.23Å; V207-G211 WeakPolarHBondContact CG1-O 3.37Å; V207-P214 HydrophobicContact CG2-CB 4.24Å | ||
| 208 | P | 81.9 | Confident | 88 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.013 | 38% | 0.383 | C | S | . | . | trans | -71 | 156.7 | -177.3 | 29.2 | -34.9 | 0 | 0 | 0 | 111.3 | P150 L153 M161 H206 G210 G211 I215 | P150-P208 VanDerWaalsContact CD-CG 3.44Å; P150-P208 HydrophobicContact CG-CB 4.48Å; P150-P208 HydrophobicContact CG-CG 3.78Å; L153-P208 HydrophobicContact CD1-CB 3.96Å; M161-P208 HydrophobicContact CE-CB 4.48Å; M161-P208 HydrophobicContact SD-CB 4.31Å; H206-P208 WeakPolarHBondContact O-CD 3.44Å; P208-G210 PolarHBondContact O-N 3.24Å; P208-G211 PolarHBondContact O-N 3.36Å; P208-I215 HydrophobicContact CB-CG2 4.39Å; P208-I215 HydrophobicContact CG-CG2 3.58Å | ||
| 209 | P | 76.6 | Confident | 88 | Confident | 109 Ų | 109 | 65.6 Ų | 65.6 | 71% | 0.708 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 126.7 | 175.3 | -22.3 | 32.6 | 0 | 0 | 0 | 111.2 | G211 | P209-G211 VanDerWaalsContact C-N 3.3Å; P209-G211 PolarHBondContact O-N 3.44Å |
| 210 | G | 73.9 | Confident | 87.6 | Confident | 76 Ų | 76 | 66.5 Ų | 66.5 | 78% | 0.784 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 4.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | P208 | P208-G210 PolarHBondContact O-N 3.24Š|
| 211 | G | 76.2 | Confident | 86.8 | Confident | 21 Ų | 21 | 69.5 Ų | 69.5 | 22% | 0.216 | 42% | 0.418 | C | S | . | . | trans | -99.1 | 150 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | P150 V207 P208 P209 | P150-G211 VanDerWaalsContact CG-CA 3.49Å; V207-G211 VanDerWaalsContact CG1-O 3.23Å; V207-G211 WeakPolarHBondContact CG1-O 3.37Å; P208-G211 PolarHBondContact O-N 3.36Å; P209-G211 VanDerWaalsContact C-N 3.3Å; P209-G211 PolarHBondContact O-N 3.44Å | ||
| 212 | S | 76.6 | Confident | 85.4 | Confident | 125 Ų | 125 | 65.6 Ų | 65.6 | 87% | 0.874 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -102 | -11.9 | 169.1 | -53.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 213 | E | 83.1 | Confident | 83.7 | Confident | 137 Ų | 137 | 65.5 Ų | 65.5 | 64% | 0.64 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -114.8 | 144.3 | -175.9 | -63.2 | -168.8 | 125.7 | 0 | 0 | 110.7 | ||
| 214 | P | 89.8 | Confident | 81.8 | Confident | 73 Ų | 73 | 69.9 Ų | 69.9 | 47% | 0.474 | 44% | 0.437 | S | S | . | . | trans | -69.4 | 137.8 | 174.8 | 29 | -33.9 | 0 | 0 | 0 | 110.9 | G205 H206 V207 | G205-P214 VanDerWaalsContact O-CB 3.28Å; G205-P214 WeakPolarHBondContact O-CB 3.48Å; H206-P214 CarbonylContact O-C 3.57Å; H206-P214 WeakPolarHBondContact O-CA 3.5Å; V207-P214 HydrophobicContact CG2-CB 4.24Å | ||
| 215 | I | 93.1 | Very high | 80 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 44% | 0.444 | C | S | . | . | trans | -73.7 | 146.7 | 173.9 | 64.7 | 177.1 | 0 | 0 | 0 | 110 | I146 S147 G148 L149 M161 F162 L203 G205 H206 P208 V217 | I146-I215 HydrophobicContact CG2-CB 4.37Å; I146-I215 HydrophobicContact CG2-CD1 4.38Å; S147-I215 CarbonylContact O-C 3.58Å; S147-I215 WeakPolarHBondContact O-CA 3.48Å; G148-I215 WeakPolarHBondContact O-CG2 3.41Å; L149-I215 HydrophobicContact CD2-CG2 3.68Å; L149-I215 HydrophobicContact CG-CG2 4.34Å; M161-I215 HydrophobicContact CE-CD1 3.98Å; F162-I215 HydrophobicContact CE2-CD1 4.42Å; F162-I215 HydrophobicContact CZ-CD1 4.25Å; L203-I215 HydrophobicContact CB-CD1 4.42Å; L203-I215 WeakPolarHBondContact O-CG1 3.32Å; G205-I215 WeakPolarHBondContact CA-O 3.3Å; G205-I215 PolarHBondContact N-O 2.97Å; H206-I215 WeakPolarHBondContact O-CG1 3.08Å; H206-I215 PolarHBondContact O-N 3.13Å; P208-I215 HydrophobicContact CB-CG2 4.39Å; P208-I215 HydrophobicContact CG-CG2 3.58Å; I215-V217 HydrophobicContact CD1-CG2 3.92Å; I215-V217 HydrophobicContact CG1-CG2 4.12Å | ||
| 216 | T | 93.6 | Very high | 77.8 | Confident | 44 Ų | 44 | 73.2 Ų | 73.2 | 27% | 0.27 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 124.2 | 169.3 | -62.3 | 0 | 0 | 0 | 0 | 108.4 | I146 S147 N204 K218 | I146-T216 CarbonylContact C-O 3.57Å; I146-T216 VanDerWaalsContact CA-O 3.3Å; I146-T216 WeakPolarHBondContact CA-O 3.44Å; S147-T216 PolarHBondContact N-O 3.39Å; S147-T216 PolarHBondContact O-N 3.43Å; N204-T216 WeakPolarHBondContact OD1-CA 3.26Å; T216-K218 HydrophobicContact CG2-CD 3.79Å; T216-K218 VanDerWaalsContact CG2-CE 3.4Å; T216-K218 HydrophobicContact CG2-CG 3.91Å |
| 217 | V | 94.8 | Very high | 75.3 | Confident | 1 Ų | 1 | 80 Ų | 80 | 1% | 0.006 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 121.9 | 177.2 | -171.5 | 0 | 0 | 0 | 0 | 108.1 | L144 I146 F162 V200 L203 N204 I215 | L144-V217 HydrophobicContact CB-CG1 4.45Å; L144-V217 HydrophobicContact CD1-CG1 3.83Å; I146-V217 HydrophobicContact CG1-CG1 4.29Å; I146-V217 HydrophobicContact CG1-CG2 4.42Å; I146-V217 HydrophobicContact CG2-CG2 4.31Å; F162-V217 HydrophobicContact CE1-CG1 4.02Å; F162-V217 HydrophobicContact CE1-CG2 4.22Å; F162-V217 HydrophobicContact CZ-CG1 4.39Å; F162-V217 HydrophobicContact CZ-CG2 3.87Å; V200-V217 HydrophobicContact CG2-CG1 3.83Å; L203-V217 HydrophobicContact CB-CG2 4.04Å; N204-V217 HydrophobicContact CB-CB 4.13Å; N204-V217 PolarHBondContact OD1-N 2.86Å; N204-V217 PolarHBondContact OD1-O 3.43Å; I215-V217 HydrophobicContact CD1-CG2 3.92Å; I215-V217 HydrophobicContact CG1-CG2 4.12Å |
| 218 | K | 93.2 | Very high | 72.8 | Confident | 125 Ų | 125 | 82.1 Ų | 82.1 | 54% | 0.543 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 159.7 | -177.5 | -69 | 176.8 | 177.5 | 169.9 | 0 | 110.5 | L144 Y145 T216 A220 | L144-K218 CarbonylContact C-O 3.52Å; L144-K218 VanDerWaalsContact CA-O 3.32Å; L144-K218 WeakPolarHBondContact CA-O 3.42Å; Y145-K218 PolarHBondContact N-O 3.27Å; Y145-K218 PolarHBondContact O-N 3.39Å; T216-K218 HydrophobicContact CG2-CD 3.79Å; T216-K218 VanDerWaalsContact CG2-CE 3.4Å; T216-K218 HydrophobicContact CG2-CG 3.91Å; K218-A220 PolarHBondContact O-N 3.46Å |
| 219 | F | 92.8 | Very high | 70.7 | Confident | 76 Ų | 76 | 87.9 Ų | 87.9 | 33% | 0.333 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 129.2 | 168.5 | -73.7 | -77.6 | 0 | 0 | 0 | 110.6 | D141 L144 A196 E197 V200 | D141-F219 WeakPolarHBondContact O-CD1 3.39Å; D141-F219 VanDerWaalsContact O-CE1 3.26Å; D141-F219 WeakPolarHBondContact O-CE1 3.27Å; L144-F219 HydrophobicContact CD2-CD1 3.9Å; L144-F219 HydrophobicContact CD2-CE1 3.92Å; L144-F219 HydrophobicContact CD2-CG 4.38Å; L144-F219 HydrophobicContact CD2-CZ 4.4Å; A196-F219 HydrophobicContact CB-CE1 3.95Å; A196-F219 HydrophobicContact CB-CZ 4.43Å; E197-F219 HydrophobicContact CB-CZ 4.39Å; E197-F219 HydrophobicContact CG-CE2 4.14Å; E197-F219 HydrophobicContact CG-CZ 3.51Å; V200-F219 HydrophobicContact CG2-CE2 4.27Å; V200-F219 HydrophobicContact CG2-CZ 4.47Å |
| 220 | A | 86.9 | Confident | 68.8 | Low | 19 Ų | 19 | 91 Ų | 91 | 16% | 0.157 | 53% | 0.532 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 132.5 | 177 | 0 | 0 | 0 | 0 | 0 | 109.7 | N143 F187 K218 N222 | N143-A220 HydrophobicContact CB-CB 3.91Å; N143-A220 PolarHBondContact O-N 2.63Å; F187-A220 HydrophobicContact CD1-CB 3.97Å; F187-A220 HydrophobicContact CE1-CB 3.97Å; K218-A220 PolarHBondContact O-N 3.46Å; A220-N222 PolarHBondContact O-N 3Å |
| 221 | A | 77.6 | Confident | 67.1 | Low | 93 Ų | 93 | 93.2 Ų | 93.2 | 77% | 0.769 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 125.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | P223 | A221-P223 VanDerWaalsContact O-CD 3.29Å; A221-P223 WeakPolarHBondContact O-CD 3.16Å |
| 222 | N | 62.3 | Low | 65.1 | Low | 55 Ų | 55 | 100.6 Ų | 100.6 | 29% | 0.294 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -71.7 | 118.9 | 179.9 | -139 | 46.2 | 0 | 0 | 0 | 108.4 | N143 A220 N224 Q225 | N143-N222 PolarHBondContact ND2-OD1 2.92Å; A220-N222 PolarHBondContact O-N 3Å; N222-N224 PolarHBondContact O-N 2.93Å; N222-Q225 HydrophobicContact CB-CB 4.25Å; N222-Q225 HydrophobicContact CB-CG 4.06Å; N222-Q225 PolarHBondContact O-N 3.03Å |
| 223 | P | 55.6 | Low | 63.2 | Low | 118 Ų | 118 | 99.1 Ų | 99.1 | 77% | 0.766 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -22.9 | -176.3 | -22.2 | 31.7 | 0 | 0 | 0 | 113.8 | A221 | A221-P223 VanDerWaalsContact O-CD 3.29Å; A221-P223 WeakPolarHBondContact O-CD 3.16Å |
| 224 | N | 51.9 | Low | 60.8 | Low | 103 Ų | 103 | 100.7 Ų | 100.7 | 55% | 0.551 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -7.8 | 179.2 | -71.8 | -2.3 | 0 | 0 | 0 | 113.7 | N222 | N222-N224 PolarHBondContact O-N 2.93Š|
| 225 | Q | 54.1 | Low | 58 | Low | 121 Ų | 121 | 102.5 Ų | 102.5 | 57% | 0.565 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -87.3 | 118 | 164.7 | -72.9 | -176.4 | 16.6 | 0 | 0 | 106.2 | N222 R227 | N222-Q225 HydrophobicContact CB-CB 4.25Å; N222-Q225 HydrophobicContact CB-CG 4.06Å; N222-Q225 PolarHBondContact O-N 3.03Å; Q225-R227 PolarHBondContact O-N 2.74Å |
| 226 | G | 42.5 | Very low | 55.1 | Low | 74 Ų | 74 | 113.2 Ų | 113.2 | 76% | 0.763 | 61% | 0.61 | S | S | * | * | trans | -40.3 | 131.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N228 | G226-N228 PolarHBondContact O-N 2.8Å; G226-N228 VanDerWaalsContact O-N 3.15Å | ||
| 227 | R | 36.6 | Very low | 52.4 | Low | 237 Ų | 237 | 120 Ų | 120 | 89% | 0.894 | 64% | 0.638 | S | S | * | * | trans | -53.3 | 117.9 | 174.6 | -76.7 | -177.4 | 171.7 | 176 | -2.6 | 110.4 | Q225 | Q225-R227 PolarHBondContact O-N 2.74Š| ||
| 228 | N | 34.9 | Very low | 49.3 | Very low | 116 Ų | 116 | 123.4 Ų | 123.4 | 62% | 0.62 | 67% | 0.674 | S | S | * | * | trans | -116.2 | 103.4 | 145.8 | -81.9 | -39.6 | 0 | 0 | 0 | 106.6 | G226 M230 | G226-N228 PolarHBondContact O-N 2.8Å; G226-N228 VanDerWaalsContact O-N 3.15Å; N228-M230 PolarHBondContact O-N 3.3Å | ||
| 229 | P | 39 | Very low | 46.3 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 79% | 0.792 | 69% | 0.691 | S | S | * | * | trans | -78.3 | 102.7 | 169.8 | 30 | -25.8 | 0 | 0 | 0 | 107.8 | ||||
| 230 | M | 37 | Very low | 43.5 | Very low | 176 Ų | 176 | 128.1 Ų | 128.1 | 87% | 0.867 | 71% | 0.71 | S | S | * | * | trans | -110.3 | 115.6 | 166.6 | -111.2 | -159.9 | 166.3 | 0 | 0 | 111.2 | N228 | N228-M230 PolarHBondContact O-N 3.3Š| ||
| 231 | V | 36.9 | Very low | 41 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | 56.2 | 100.7 | 131.9 | -173.7 | 0 | 0 | 0 | 0 | 116.8 | S233 | V231-S233 PolarHBondContact O-N 3.13Š| ||
| 232 | M | 33.8 | Very low | 38.8 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | trans | -80.1 | 110.9 | 160.4 | -169.6 | 142.2 | 160.1 | 0 | 0 | 108.7 | ||||
| 233 | S | 37.1 | Very low | 37.3 | Very low | 94 Ų | 94 | 153.5 Ų | 153.5 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | trans | -71.5 | 127.8 | 168.4 | 178.7 | 0 | 0 | 0 | 0 | 109.8 | V231 | V231-S233 PolarHBondContact O-N 3.13Š| ||
| 234 | Q | 33.2 | Very low | 36.1 | Very low | 170 Ų | 170 | 151.3 Ų | 151.3 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -121.2 | 102.6 | 163.3 | -107.3 | -179.1 | -8.8 | 0 | 0 | 108.9 | ||||
| 235 | T | 30.8 | Very low | 35.3 | Very low | 112 Ų | 112 | 150 Ų | 150 | 69% | 0.687 | 79% | 0.794 | S | S | * | * | trans | -88.2 | 124 | 160.5 | 26.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 236 | Y | 32.7 | Very low | 35 | Very low | 224 Ų | 224 | 150 Ų | 150 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | trans | -136.2 | 136.9 | 155.5 | -105 | -87.5 | 0 | 0 | 0 | 109.5 | ||||
| 237 | H | 36.6 | Very low | 35 | Very low | 187 Ų | 187 | 152.3 Ų | 152.3 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | -79.4 | 157.2 | -175.2 | -67.9 | 19.4 | 0 | 0 | 0 | 112.8 | ||||
| 238 | G | 29.6 | Very low | 34.9 | Very low | 73 Ų | 73 | 148.7 Ų | 148.7 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | 135.9 | 107.1 | 135.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 239 | Q | 30.5 | Very low | 34.9 | Very low | 195 Ų | 195 | 150 Ų | 150 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | 84.2 | 105.9 | 140.2 | -60.7 | -168.2 | -18 | 0 | 0 | 123.1 | ||||
| 240 | S | 33.9 | Very low | 34.4 | Very low | 105 Ų | 105 | 152.3 Ų | 152.3 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | 49 | 118.4 | 120 | -156.3 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 241 | R | 35 | Very low | 34.1 | Very low | 254 Ų | 254 | 148.1 Ų | 148.1 | 96% | 0.958 | 79% | 0.792 | S | S | * | * | -160.6 | 128 | 126.5 | -105.4 | 175.1 | -163.9 | -161.1 | 5.1 | 112.9 | |||||
| 242 | R | 31.6 | Very low | 33.9 | Very low | 231 Ų | 231 | 150.4 Ų | 150.4 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -65.1 | 148.2 | 173.9 | -66.9 | 170.3 | 167.5 | -160.6 | -3 | 114.4 | ||||
| 243 | F | 30.2 | Very low | 33.7 | Very low | 215 Ų | 215 | 151.5 Ų | 151.5 | 94% | 0.943 | 79% | 0.789 | S | S | * | * | 162.7 | 138.7 | 122.6 | -129 | -100.2 | 0 | 0 | 0 | 108.2 | |||||
| 244 | G | 30.7 | Very low | 33.5 | Very low | 71 Ų | 71 | 157.1 Ų | 157.1 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | cis | 157.2 | 132.5 | 2.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 245 | G | 34.2 | Very low | 33.5 | Very low | 76 Ų | 76 | 159.3 Ų | 159.3 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | 147.6 | 141.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 246 | P | 48.5 | Very low | 33.4 | Very low | 122 Ų | 122 | 164 Ų | 164 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | trans | -130.3 | -179.4 | -132.2 | 31.2 | -9 | 0 | 0 | 0 | 117.4 | ||||
| 247 | V | 41.7 | Very low | 33.5 | Very low | 121 Ų | 121 | 158.4 Ų | 158.4 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | 97.2 | 110.9 | 150.9 | -164.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 248 | H | 35.1 | Very low | 33.8 | Very low | 162 Ų | 162 | 155 Ų | 155 | 75% | 0.75 | 80% | 0.803 | S | S | * | * | 166.7 | 127.5 | 100.6 | -152.4 | 78.4 | 0 | 0 | 0 | 112.8 | |||||
| 249 | H | 34.9 | Very low | 33.8 | Very low | 144 Ų | 144 | 160.2 Ų | 160.2 | 67% | 0.667 | 81% | 0.809 | S | S | * | * | trans | 5.1 | 153.2 | 153.1 | -78.7 | -118 | 0 | 0 | 0 | 120.7 | ||||
| 250 | Q | 28.1 | Very low | 33.6 | Very low | 170 Ų | 170 | 156.2 Ų | 156.2 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | cis | -177.8 | 158.1 | 6.7 | 163.7 | 169.9 | 19.8 | 0 | 0 | 109.5 | ||||
| 251 | A | 31.4 | Very low | 33.5 | Very low | 88 Ų | 88 | 155.3 Ų | 155.3 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | 84.8 | 97.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 252 | Q | 32.3 | Very low | 33.1 | Very low | 168 Ų | 168 | 150.1 Ų | 150.1 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | 32.1 | 111.2 | 121.6 | -59.6 | -62.6 | -27.7 | 0 | 0 | 121.5 | |||||
| 253 | R | 30.3 | Very low | 33.2 | Very low | 199 Ų | 199 | 146.3 Ų | 146.3 | 75% | 0.751 | 79% | 0.785 | S | S | * | * | 28 | 132.2 | 129.7 | -69.3 | -163.3 | 165.7 | -157.5 | -0.1 | 119.7 | |||||
| 254 | F | 31.6 | Very low | 33.6 | Very low | 212 Ų | 212 | 143.7 Ų | 143.7 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | -159.3 | 138.9 | 108.8 | -91.8 | -73 | 0 | 0 | 0 | 111.1 | |||||
| 255 | R | 34.6 | Very low | 33.4 | Very low | 216 Ų | 216 | 143.8 Ų | 143.8 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | trans | -80.7 | 150.4 | 170 | -65.9 | 176.2 | 175.6 | -179.4 | -3.3 | 109.3 | ||||
| 256 | F | 27.2 | Very low | 33.3 | Very low | 211 Ų | 211 | 145.6 Ų | 145.6 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | -169.7 | 130 | 137.6 | -105.4 | -78 | 0 | 0 | 0 | 110.6 | ||||
| 257 | S | 36.3 | Very low | 32.2 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | -90.3 | 152.4 | 151.7 | -52.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 258 | P | 43.1 | Very low | 31.5 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | -159.8 | 171.2 | 62.4 | 37.7 | -13.2 | 0 | 0 | 0 | 118.7 | |||||
| 259 | M | 28.1 | Very low | 31.2 | Very low | 181 Ų | 181 | 137.7 Ų | 137.7 | 89% | 0.892 | 80% | 0.796 | S | S | * | * | trans | 54.1 | 122.9 | 147.9 | -77.4 | -174 | 157 | 0 | 0 | 124.4 | ||||
| 260 | S | 27.4 | Very low | 31.1 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | 164.4 | 113.8 | 118.2 | -72.7 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 261 | A | 30.5 | Very low | 31.7 | Very low | 87 Ų | 87 | 133.5 Ų | 133.5 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | 64.4 | 122.4 | 92.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 262 | D | 27.8 | Very low | 31.6 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | cis | -173.9 | 158.7 | 34.2 | -128 | -53.8 | 0 | 0 | 0 | 111.2 | ||||
| 263 | H | 33.7 | Very low | 31.6 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | trans | 72.2 | 134.5 | 143.6 | -141.3 | 86.6 | 0 | 0 | 0 | 121.1 | ||||
| 264 | M | 37.4 | Very low | 32.3 | Very low | 160 Ų | 160 | 126.3 Ų | 126.3 | 79% | 0.788 | 81% | 0.81 | S | S | * | * | cis | -168.3 | 161 | -14.3 | -102.2 | -159 | -170.1 | 0 | 0 | 104.9 | ||||
| 265 | G | 28.1 | Very low | 33 | Very low | 74 Ų | 74 | 121.5 Ų | 121.5 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | cis | 158.4 | 143.1 | 20 | 0 | 0 | 0 | 0 | 0 | 103.1 | ||||
| 266 | A | 31 | Very low | 34.6 | Very low | 113 Ų | 113 | 114.3 Ų | 114.3 | 93% | 0.934 | 79% | 0.785 | S | S | * | * | -179.5 | 156.5 | 55.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 267 | G | 26.4 | Very low | 37.1 | Very low | 73 Ų | 73 | 105.6 Ų | 105.6 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | cis | 178.3 | 158.8 | 2.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 268 | G | 27.2 | Very low | 39.6 | Very low | 85 Ų | 85 | 106.1 Ų | 106.1 | 88% | 0.876 | 74% | 0.741 | S | S | * | * | trans | 69.2 | 113.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 269 | G | 28 | Very low | 41.9 | Very low | 82 Ų | 82 | 102.1 Ų | 102.1 | 85% | 0.845 | 72% | 0.715 | S | S | * | * | cis | 97.1 | 91.1 | 32 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 270 | A | 33.3 | Very low | 45.1 | Very low | 100 Ų | 100 | 93.5 Ų | 93.5 | 83% | 0.826 | 67% | 0.673 | S | S | * | * | trans | 174 | 123.8 | 140.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 271 | S | 39.9 | Very low | 48.3 | Very low | 126 Ų | 126 | 91 Ų | 91 | 88% | 0.881 | 65% | 0.648 | S | S | * | * | trans | -46.4 | 141.8 | 163.9 | 46.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 272 | G | 29.8 | Very low | 51.4 | Low | 75 Ų | 75 | 86.9 Ų | 86.9 | 77% | 0.773 | 61% | 0.614 | S | S | * | * | trans | -172 | 103.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 273 | S | 33 | Very low | 54.5 | Low | 115 Ų | 115 | 85.2 Ų | 85.2 | 80% | 0.804 | 60% | 0.598 | S | S | * | * | trans | -43.8 | 141.3 | -177.9 | -174.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 274 | P | 43.3 | Very low | 57.2 | Low | 113 Ų | 113 | 80.6 Ų | 80.6 | 73% | 0.734 | 58% | 0.578 | S | S | * | * | trans | -82.7 | 121.3 | -173.9 | 33.4 | -31.1 | 0 | 0 | 0 | 110.6 | S276 | P274-S276 PolarHBondContact O-N 3.3Š| ||
| 275 | S | 47.7 | Very low | 59.8 | Low | 112 Ų | 112 | 73 Ų | 73 | 78% | 0.783 | 54% | 0.541 | S | S | * | . | trans | -90.2 | 74.4 | 156.7 | 39.2 | 0 | 0 | 0 | 0 | 108.8 | G277 | S275-G277 PolarHBondContact O-N 3.29Š| ||
| 276 | S | 66.9 | Low | 62.7 | Low | 64 Ų | 64 | 71 Ų | 71 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | S | Bend | trans | 48.4 | 53.3 | 159.3 | 65 | 0 | 0 | 0 | 0 | 117.8 | P274 | P274-S276 PolarHBondContact O-N 3.3Š|
| 277 | G | 79.5 | Confident | 65.4 | Low | 28 Ų | 28 | 70.2 Ų | 70.2 | 29% | 0.289 | 49% | 0.492 | S | S | . | . | S | Bend | trans | 149.6 | 168.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S275 M326 | S275-G277 PolarHBondContact O-N 3.29Å; G277-M326 CarbonylContact C-O 3.42Å; G277-M326 WeakPolarHBondContact CA-O 3.46Å |
| 278 | W | 89.6 | Confident | 68.2 | Low | 118 Ų | 118 | 72.1 Ų | 72.1 | 45% | 0.447 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 107.5 | -179.2 | -62.8 | 88.9 | 0 | 0 | 0 | 110.2 | T325 M326 Y329 A332 F353 | W278-T325 WeakPolarHBondContact O-CA 3.36Å; W278-M326 PolarHBondContact N-O 2.73Å; W278-M326 PolarHBondContact O-N 2.92Å; W278-Y329 VanDerWaalsContact CD1-CA 3.45Å; W278-Y329 AromaticContact CD2-CD2 3.58Å; W278-Y329 HydrophobicContact CD2-CD2 3.58Å; W278-Y329 HydrophobicContact CD2-CG 4.22Å; W278-Y329 VanDerWaalsContact CE2-CB 3.43Å; W278-Y329 AromaticContact CE2-CD2 3.8Å; W278-Y329 AromaticContact CE3-CD2 3.43Å; W278-Y329 HydrophobicContact CE3-CD2 3.43Å; W278-Y329 VanDerWaalsContact CE3-CD2 3.43Å; W278-Y329 HydrophobicContact CE3-CE2 4.08Å; W278-Y329 HydrophobicContact CE3-CG 4.44Å; W278-Y329 HydrophobicContact CG-CD2 4.29Å; W278-Y329 AromaticContact CH2-CD2 3.68Å; W278-Y329 HydrophobicContact CH2-CD2 3.68Å; W278-Y329 HydrophobicContact CH2-CE2 4.31Å; W278-Y329 HydrophobicContact CH2-CG 4.23Å; W278-Y329 AromaticContact CZ2-CD2 3.86Å; W278-Y329 HydrophobicContact CZ2-CD2 3.86Å; W278-Y329 HydrophobicContact CZ2-CG 4.05Å; W278-Y329 AromaticContact CZ3-CD2 3.48Å; W278-Y329 HydrophobicContact CZ3-CD2 3.48Å; W278-Y329 VanDerWaalsContact CZ3-CD2 3.48Å; W278-Y329 AromaticContact CZ3-CE2 3.9Å; W278-Y329 HydrophobicContact CZ3-CE2 3.9Å; W278-Y329 HydrophobicContact CZ3-CG 4.43Å; W278-A332 HydrophobicContact CB-CB 3.87Å; W278-F353 HydrophobicContact CB-CE1 4.37Å; W278-F353 HydrophobicContact CE3-CE1 4.44Å |
| 279 | C | 92.3 | Very high | 71.1 | Confident | 33 Ų | 33 | 68.5 Ų | 68.5 | 22% | 0.223 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 122.9 | -174.4 | -166.2 | 0 | 0 | 0 | 0 | 111.4 | K354 | C279-K354 HydrophobicContact CB-CB 4.09Å; C279-K354 HydrophobicContact CB-CD 4.11Å; C279-K354 VanDerWaalsContact O-CB 3.29Å; C279-K354 WeakPolarHBondContact O-CB 2.99Å; C279-K354 PolarHBondContact O-N 3.16Å; C279-K354 VanDerWaalsContact SG-CD 3.53Å |
| 280 | L | 94.4 | Very high | 74.1 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 139.1 | 174.9 | -54.5 | -174.9 | 0 | 0 | 0 | 109.4 | I282 F298 F323 V324 M326 A332 A335 I336 V351 S352 F353 | L280-I282 HydrophobicContact CB-CD1 4.18Å; L280-F298 HydrophobicContact CD1-CD1 4.01Å; L280-F298 HydrophobicContact CD1-CE1 3.56Å; L280-F323 VanDerWaalsContact O-CA 3.24Å; L280-F323 WeakPolarHBondContact O-CA 3.36Å; L280-V324 WeakPolarHBondContact CA-O 3.48Å; L280-V324 WeakPolarHBondContact CB-O 3.29Å; L280-V324 PolarHBondContact N-O 2.75Å; L280-V324 PolarHBondContact O-N 3.35Å; L280-M326 HydrophobicContact CD1-CG 3.86Å; L280-M326 HydrophobicContact CG-CG 4.35Å; L280-A332 HydrophobicContact CD1-CB 4.34Å; L280-A332 HydrophobicContact CD2-CB 4.08Å; L280-A332 HydrophobicContact CG-CB 4.45Å; L280-A335 HydrophobicContact CD1-CB 4.26Å; L280-I336 HydrophobicContact CD1-CG1 4.26Å; L280-I336 HydrophobicContact CD2-CD1 3.48Å; L280-I336 VanDerWaalsContact CD2-CD1 3.48Å; L280-I336 HydrophobicContact CD2-CG1 3.75Å; L280-V351 HydrophobicContact CB-CG1 4.48Å; L280-V351 HydrophobicContact CD1-CG1 4.45Å; L280-S352 CarbonylContact C-O 3.54Å; L280-S352 WeakPolarHBondContact CA-O 3.44Å; L280-F353 HydrophobicContact CD2-CD1 3.65Å; L280-F353 HydrophobicContact CD2-CE1 3.77Å; L280-F353 HydrophobicContact CD2-CG 4.36Å |
| 281 | F | 94.9 | Very high | 76.9 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 25% | 0.254 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 127.1 | 169.8 | 176.3 | -115.2 | 0 | 0 | 0 | 108.9 | Y283 F321 F323 V351 S352 | F281-Y283 HydrophobicContact CE1-CD2 4.03Å; F281-Y283 HydrophobicContact CE1-CG 4.14Å; F281-Y283 AromaticContact CZ-CD2 3.62Å; F281-Y283 HydrophobicContact CZ-CD2 3.62Å; F281-Y283 HydrophobicContact CZ-CG 4.19Å; F281-F321 HydrophobicContact CE2-CB 3.92Å; F281-F321 AromaticContact CE2-CD2 3.7Å; F281-F321 HydrophobicContact CE2-CD2 3.7Å; F281-F321 HydrophobicContact CE2-CG 4.1Å; F281-F321 HydrophobicContact CZ-CB 4.16Å; F281-F321 HydrophobicContact CZ-CD2 4.47Å; F281-F321 HydrophobicContact CZ-CG 4.5Å; F281-F323 HydrophobicContact CB-CE1 4.43Å; F281-F323 HydrophobicContact CD2-CD1 4.07Å; F281-F323 AromaticContact CD2-CE1 3.51Å; F281-F323 HydrophobicContact CD2-CE1 3.51Å; F281-F323 AromaticContact CD2-CZ 3.94Å; F281-F323 HydrophobicContact CD2-CZ 3.94Å; F281-F323 HydrophobicContact CE2-CE1 4.24Å; F281-F323 HydrophobicContact CE2-CZ 4.22Å; F281-F323 HydrophobicContact CG-CE1 4.41Å; F281-V351 WeakPolarHBondContact O-CA 3.41Å; F281-S352 PolarHBondContact N-O 3.3Å; F281-S352 PolarHBondContact O-N 2.67Å |
| 282 | I | 94.8 | Very high | 79.4 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 121.9 | 178.7 | -57.1 | 79.7 | 0 | 0 | 0 | 107.4 | L280 L285 L294 F298 F321 G322 V324 Q350 V351 | L280-I282 HydrophobicContact CB-CD1 4.18Å; I282-L285 HydrophobicContact CG2-CD1 4.38Å; I282-L285 HydrophobicContact CG2-CD2 3.72Å; I282-L285 HydrophobicContact CG2-CG 4.04Å; I282-L294 HydrophobicContact CG2-CD2 4.35Å; I282-F298 HydrophobicContact CD1-CE2 4.41Å; I282-F298 HydrophobicContact CD1-CZ 4.06Å; I282-F298 HydrophobicContact CG1-CE2 3.97Å; I282-F298 HydrophobicContact CG1-CZ 3.66Å; I282-F321 CarbonylContact O-C 3.59Å; I282-F321 WeakPolarHBondContact O-CA 3.49Å; I282-F321 VanDerWaalsContact O-CB 3.31Å; I282-F321 WeakPolarHBondContact O-CB 3.24Å; I282-G322 PolarHBondContact N-O 3.26Å; I282-G322 PolarHBondContact O-N 3.23Å; I282-V324 HydrophobicContact CD1-CB 3.82Å; I282-V324 HydrophobicContact CD1-CG2 3.56Å; I282-V324 HydrophobicContact CG1-CG2 4.48Å; I282-Q350 CarbonylContact C-O 3.56Å; I282-Q350 WeakPolarHBondContact CA-O 3.47Å; I282-V351 HydrophobicContact CG1-CG1 4.33Å; I282-V351 HydrophobicContact CG1-CG2 4.37Å; I282-V351 HydrophobicContact CG2-CG2 4.41Å |
| 283 | Y | 93.3 | Very high | 82.3 | Confident | 110 Ų | 110 | 61.4 Ų | 61.4 | 43% | 0.431 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 162 | -179.3 | -167.6 | -102.7 | 0 | 0 | 0 | 111.2 | F281 G320 F321 Q350 | F281-Y283 HydrophobicContact CE1-CD2 4.03Å; F281-Y283 HydrophobicContact CE1-CG 4.14Å; F281-Y283 AromaticContact CZ-CD2 3.62Å; F281-Y283 HydrophobicContact CZ-CD2 3.62Å; F281-Y283 HydrophobicContact CZ-CG 4.19Å; Y283-G320 CarbonylContact C-O 3.49Å; Y283-F321 HydrophobicContact CD2-CB 3.7Å; Y283-F321 HydrophobicContact CD2-CG 4.48Å; Y283-F321 HydrophobicContact CE2-CB 4.33Å; Y283-Q350 PolarHBondContact N-O 3.15Å; Y283-Q350 PolarHBondContact O-N 3.15Å |
| 284 | N | 91.4 | Very high | 85.2 | Confident | 54 Ų | 54 | 56 Ų | 56 | 29% | 0.289 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 65.3 | 37 | -176.5 | -158.1 | 29.5 | 0 | 0 | 0 | 114.3 | G320 K347 V348 | N284-G320 WeakPolarHBondContact CA-O 3.45Å; N284-G320 PolarHBondContact N-O 3.44Å; N284-K347 WeakPolarHBondContact O-CD 3.22Å; N284-V348 WeakPolarHBondContact CB-O 3.37Å; N284-V348 PolarHBondContact ND2-N 3.36Å; N284-V348 PolarHBondContact ND2-O 3.45Å |
| 285 | L | 91.8 | Very high | 87.5 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | trans | -68.9 | 152.5 | 171.9 | -65.9 | 173.8 | 0 | 0 | 0 | 111.6 | I282 A289 L294 G320 K347 L349 | I282-L285 HydrophobicContact CG2-CD1 4.38Å; I282-L285 HydrophobicContact CG2-CD2 3.72Å; I282-L285 HydrophobicContact CG2-CG 4.04Å; L285-A289 HydrophobicContact CB-CB 3.94Å; L285-A289 HydrophobicContact CD2-CB 4.42Å; L285-L294 HydrophobicContact CD1-CD1 4.2Å; L285-L294 HydrophobicContact CD2-CD2 4.01Å; L285-G320 PolarHBondContact N-O 3.32Å; L285-G320 WeakPolarHBondContact O-CA 3.27Å; L285-K347 PolarHBondContact O-NZ 3.3Å; L285-L349 HydrophobicContact CD2-CD2 3.79Å | ||
| 286 | S | 88.2 | Confident | 89.6 | Confident | 31 Ų | 31 | 58 Ų | 58 | 22% | 0.217 | 30% | 0.298 | C | S | . | . | trans | -65.9 | 152.8 | 168.7 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | D288 A289 C318 | S286-D288 PolarHBondContact O-N 3.2Å; S286-A289 WeakPolarHBondContact O-CB 3.28Å; S286-A289 PolarHBondContact O-N 2.84Å; S286-C318 WeakPolarHBondContact O-CB 3.46Å | ||
| 287 | Q | 87.4 | Confident | 90.8 | Very high | 97 Ų | 97 | 56 Ų | 56 | 45% | 0.453 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -24.6 | 176.4 | 64.7 | -179.2 | 0.2 | 0 | 0 | 112.5 | K317 C318 | Q287-K317 HydrophobicContact CB-CD 4.49Å; Q287-C318 WeakPolarHBondContact O-CB 3.43Å; Q287-C318 PolarHBondContact O-N 2.95Å |
| 288 | D | 86.1 | Confident | 91.5 | Very high | 112 Ų | 112 | 54.6 Ų | 54.6 | 60% | 0.599 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 3.5 | 179 | -52.7 | -51.7 | 0 | 0 | 0 | 112.1 | S286 | S286-D288 PolarHBondContact O-N 3.2Š|
| 289 | A | 87.6 | Confident | 91.6 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | trans | -66.1 | 140 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L285 S286 R311 | L285-A289 HydrophobicContact CB-CB 3.94Å; L285-A289 HydrophobicContact CD2-CB 4.42Å; S286-A289 WeakPolarHBondContact O-CB 3.28Å; S286-A289 PolarHBondContact O-N 2.84Å; A289-R311 PolarHBondContact O-NH2 3.01Å | ||
| 290 | D | 90.6 | Very high | 91.7 | Very high | 73 Ų | 73 | 54.3 Ų | 54.3 | 39% | 0.39 | 29% | 0.287 | S | S | . | . | trans | -127.7 | 172.1 | 178.2 | 72.9 | -8.4 | 0 | 0 | 0 | 112.9 | G292 M293 L294 R311 | D290-G292 VanDerWaalsContact C-N 3.25Å; D290-G292 PolarHBondContact O-N 3.02Å; D290-G292 PolarHBondContact OD1-N 2.77Å; D290-M293 VanDerWaalsContact OD1-CB 3.26Å; D290-M293 WeakPolarHBondContact OD1-CB 3.49Å; D290-M293 PolarHBondContact OD1-N 3.38Å; D290-L294 PolarHBondContact O-N 2.94Å; D290-R311 VanDerWaalsContact CA-NH2 3.34Å | ||
| 291 | E | 92.1 | Very high | 91.7 | Very high | 64 Ų | 64 | 56.6 Ų | 56.6 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.1 | -35.9 | 179.2 | -67.1 | 77.4 | -178.9 | 0 | 0 | 110.9 | L294 W295 V307 V309 R311 | E291-L294 PolarHBondContact O-N 2.78Å; E291-W295 PolarHBondContact O-N 3.27Å; E291-V307 HydrophobicContact CB-CG1 4.09Å; E291-V307 HydrophobicContact CG-CG1 4.3Å; E291-V309 HydrophobicContact CG-CB 4.43Å; E291-V309 HydrophobicContact CG-CG2 4.07Å; E291-R311 IonicContact OE1-NE 3.54Å; E291-R311 IonicContact OE1-NH2 2.8Å; E291-R311 IonicContact OE2-CZ 2.62Å; E291-R311 IonicContact OE2-NE 3.56Å; E291-R311 IonicContact OE2-NH2 2.79Å; E291-R311 PolarHBondContact OE2-NH2 3.04Å |
| 292 | G | 92.5 | Very high | 91.3 | Very high | 39 Ų | 39 | 54.7 Ų | 54.7 | 40% | 0.402 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D290 L294 W295 Q296 | D290-G292 VanDerWaalsContact C-N 3.25Å; D290-G292 PolarHBondContact O-N 3.02Å; D290-G292 PolarHBondContact OD1-N 2.77Å; G292-L294 PolarHBondContact O-N 3.09Å; G292-W295 WeakPolarHBondContact O-CB 3.44Å; G292-W295 PolarHBondContact O-N 2.82Å; G292-Q296 PolarHBondContact O-N 3.02Å |
| 293 | M | 91.4 | Very high | 91.1 | Very high | 59 Ų | 59 | 57.5 Ų | 57.5 | 29% | 0.291 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 175.6 | -178 | 65.6 | -166.6 | 0 | 0 | 112.1 | D290 Q296 M297 L344 | D290-M293 VanDerWaalsContact OD1-CB 3.26Å; D290-M293 WeakPolarHBondContact OD1-CB 3.49Å; D290-M293 PolarHBondContact OD1-N 3.38Å; M293-Q296 PolarHBondContact O-N 3.37Å; M293-M297 HydrophobicContact CE-CE 4.16Å; M293-M297 HydrophobicContact CE-CG 3.72Å; M293-M297 HydrophobicContact CE-SD 3.53Å; M293-M297 VanDerWaalsContact CE-SD 3.53Å; M293-M297 HydrophobicContact CG-CE 4.17Å; M293-M297 WeakPolarHBondContact O-CG 3.3Å; M293-M297 PolarHBondContact O-N 3.43Å; M293-L344 HydrophobicContact CE-CD1 3.35Å; M293-L344 HydrophobicContact CE-CD2 4.1Å; M293-L344 HydrophobicContact CE-CG 4.39Å; M293-L344 HydrophobicContact CG-CD2 4.46Å |
| 294 | L | 92.9 | Very high | 91 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.3 | -40 | 177.8 | -71.7 | -179 | 0 | 0 | 0 | 111.9 | I282 L285 D290 E291 G292 Q296 M297 F298 V307 V309 V324 | I282-L294 HydrophobicContact CG2-CD2 4.35Å; L285-L294 HydrophobicContact CD1-CD1 4.2Å; L285-L294 HydrophobicContact CD2-CD2 4.01Å; D290-L294 PolarHBondContact O-N 2.94Å; E291-L294 PolarHBondContact O-N 2.78Å; G292-L294 PolarHBondContact O-N 3.09Å; L294-Q296 VanDerWaalsContact C-N 3.31Å; L294-Q296 PolarHBondContact O-N 2.82Å; L294-M297 HydrophobicContact CD2-CE 3.73Å; L294-M297 PolarHBondContact O-N 3.33Å; L294-F298 HydrophobicContact CD2-CE2 4.11Å; L294-F298 WeakPolarHBondContact O-CB 3.35Å; L294-F298 VanDerWaalsContact O-CD2 3.3Å; L294-F298 WeakPolarHBondContact O-CD2 3.28Å; L294-F298 PolarHBondContact O-N 2.92Å; L294-V307 HydrophobicContact CB-CG1 3.6Å; L294-V307 HydrophobicContact CD1-CG1 3.79Å; L294-V307 HydrophobicContact CG-CG1 4.34Å; L294-V309 HydrophobicContact CD1-CG2 3.7Å; L294-V324 HydrophobicContact CB-CG2 4.17Å; L294-V324 HydrophobicContact CD1-CG2 4.26Å |
| 295 | W | 92.7 | Very high | 91 | Very high | 115 Ų | 115 | 53.6 Ų | 53.6 | 44% | 0.436 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.5 | -44.7 | 172.7 | -89.7 | 103.6 | 0 | 0 | 0 | 112 | E291 G292 G299 V304 V307 | E291-W295 PolarHBondContact O-N 3.27Å; G292-W295 WeakPolarHBondContact O-CB 3.44Å; G292-W295 PolarHBondContact O-N 2.82Å; W295-G299 PolarHBondContact O-N 2.82Å; W295-V304 HydrophobicContact CD2-CB 4.32Å; W295-V304 HydrophobicContact CD2-CG1 3.9Å; W295-V304 HydrophobicContact CE3-CB 3.59Å; W295-V304 HydrophobicContact CE3-CG1 3.68Å; W295-V304 HydrophobicContact CE3-CG2 4.3Å; W295-V304 HydrophobicContact CH2-CB 3.84Å; W295-V304 HydrophobicContact CH2-CG1 3.68Å; W295-V304 WeakPolarHBondContact CH2-O 3.44Å; W295-V304 HydrophobicContact CZ2-CB 4.5Å; W295-V304 HydrophobicContact CZ2-CG1 3.85Å; W295-V304 HydrophobicContact CZ3-CB 3.35Å; W295-V304 HydrophobicContact CZ3-CG1 3.6Å; W295-V304 HydrophobicContact CZ3-CG2 4.44Å; W295-V304 VanDerWaalsContact CZ3-O 3.27Å; W295-V304 WeakPolarHBondContact CZ3-O 3.39Å; W295-V307 VanDerWaalsContact CD1-CG2 3.47Å; W295-V307 HydrophobicContact CD2-CG2 3.83Å; W295-V307 HydrophobicContact CG-CB 4.49Å; W295-V307 HydrophobicContact CG-CG2 3.79Å; W295-V307 HydrophobicContact CZ2-CG2 4.19Å; W295-V307 VanDerWaalsContact NE1-CG2 3.27Å |
| 296 | Q | 92.3 | Very high | 90.8 | Very high | 153 Ų | 153 | 57.9 Ų | 57.9 | 72% | 0.715 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -68.2 | -37.3 | -179.5 | -172.6 | 173.1 | -8.4 | 0 | 0 | 112.8 | G292 M293 L294 P300 | G292-Q296 PolarHBondContact O-N 3.02Å; M293-Q296 PolarHBondContact O-N 3.37Å; L294-Q296 VanDerWaalsContact C-N 3.31Å; L294-Q296 PolarHBondContact O-N 2.82Å; Q296-P300 VanDerWaalsContact O-CD 3.28Å; Q296-P300 WeakPolarHBondContact O-CD 3.45Å |
| 297 | M | 91.6 | Very high | 91.1 | Very high | 20 Ų | 20 | 57 Ų | 57 | 10% | 0.099 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.1 | -38.5 | 177.9 | -72.2 | -165.7 | -62.4 | 0 | 0 | 113.1 | M293 L294 F301 L339 Y342 L344 L349 | M293-M297 HydrophobicContact CE-CE 4.16Å; M293-M297 HydrophobicContact CE-CG 3.72Å; M293-M297 HydrophobicContact CE-SD 3.53Å; M293-M297 VanDerWaalsContact CE-SD 3.53Å; M293-M297 HydrophobicContact CG-CE 4.17Å; M293-M297 WeakPolarHBondContact O-CG 3.3Å; M293-M297 PolarHBondContact O-N 3.43Å; L294-M297 HydrophobicContact CD2-CE 3.73Å; L294-M297 PolarHBondContact O-N 3.33Å; M297-F301 WeakPolarHBondContact O-CD2 3.48Å; M297-F301 VanDerWaalsContact O-CE2 3.29Å; M297-F301 WeakPolarHBondContact O-CE2 3.23Å; M297-L339 HydrophobicContact CB-CD1 4.39Å; M297-Y342 HydrophobicContact SD-CD1 4.3Å; M297-Y342 HydrophobicContact SD-CE1 4.2Å; M297-L344 HydrophobicContact CE-CD2 4.31Å; M297-L349 HydrophobicContact CE-CD1 3.75Å; M297-L349 HydrophobicContact SD-CD1 4.03Å |
| 298 | F | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -90.3 | -21.9 | -175.1 | -76.8 | -98.4 | 0 | 0 | 0 | 113.7 | L280 I282 L294 F301 V304 V324 M326 A335 L339 V351 | L280-F298 HydrophobicContact CD1-CD1 4.01Å; L280-F298 HydrophobicContact CD1-CE1 3.56Å; I282-F298 HydrophobicContact CD1-CE2 4.41Å; I282-F298 HydrophobicContact CD1-CZ 4.06Å; I282-F298 HydrophobicContact CG1-CE2 3.97Å; I282-F298 HydrophobicContact CG1-CZ 3.66Å; L294-F298 HydrophobicContact CD2-CE2 4.11Å; L294-F298 WeakPolarHBondContact O-CB 3.35Å; L294-F298 VanDerWaalsContact O-CD2 3.3Å; L294-F298 WeakPolarHBondContact O-CD2 3.28Å; L294-F298 PolarHBondContact O-N 2.92Å; F298-F301 PolarHBondContact O-N 2.8Å; F298-F301 VanDerWaalsContact O-N 3.1Å; F298-V304 HydrophobicContact CB-CG2 3.71Å; F298-V324 HydrophobicContact CB-CG1 4.03Å; F298-V324 HydrophobicContact CD1-CB 4.36Å; F298-V324 HydrophobicContact CD1-CG1 3.95Å; F298-V324 HydrophobicContact CD2-CG1 4.45Å; F298-V324 HydrophobicContact CD2-CG2 3.96Å; F298-V324 HydrophobicContact CE2-CG2 4.08Å; F298-V324 HydrophobicContact CG-CB 4.39Å; F298-V324 HydrophobicContact CG-CG1 3.88Å; F298-V324 HydrophobicContact CG-CG2 4.23Å; F298-V324 HydrophobicContact CZ-CG2 4.46Å; F298-M326 HydrophobicContact CB-SD 4.28Å; F298-M326 HydrophobicContact CD1-SD 4.2Å; F298-A335 HydrophobicContact CD1-CB 3.83Å; F298-A335 HydrophobicContact CE1-CB 3.98Å; F298-L339 HydrophobicContact CD1-CD1 3.88Å; F298-L339 HydrophobicContact CD2-CD1 3.84Å; F298-L339 HydrophobicContact CE1-CD1 3.69Å; F298-L339 HydrophobicContact CE2-CD1 3.67Å; F298-L339 HydrophobicContact CG-CD1 3.96Å; F298-L339 HydrophobicContact CZ-CD1 3.59Å; F298-V351 HydrophobicContact CE1-CG1 4.08Å; F298-V351 HydrophobicContact CZ-CG1 3.9Å; F298-V351 HydrophobicContact CZ-CG2 4.26Å |
| 299 | G | 91.8 | Very high | 91.7 | Very high | 37 Ų | 37 | 51.1 Ų | 51.1 | 38% | 0.381 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -54.9 | -40.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | W295 F301 G302 | W295-G299 PolarHBondContact O-N 2.82Å; G299-F301 PolarHBondContact O-N 3.32Å; G299-G302 PolarHBondContact O-N 3.49Å |
| 300 | P | 94.4 | Very high | 91.8 | Very high | 107 Ų | 107 | 52.3 Ų | 52.3 | 70% | 0.695 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -62.7 | -21.6 | 177.1 | -26.1 | 35.6 | 0 | 0 | 0 | 114.6 | Q296 | Q296-P300 VanDerWaalsContact O-CD 3.28Å; Q296-P300 WeakPolarHBondContact O-CD 3.45Å |
| 301 | F | 92.8 | Very high | 91.9 | Very high | 49 Ų | 49 | 52.8 Ų | 52.8 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -91 | -17 | -177.1 | -60.2 | -78.5 | 0 | 0 | 0 | 113.2 | M297 F298 G299 M326 E331 M334 A335 S338 L339 | M297-F301 WeakPolarHBondContact O-CD2 3.48Å; M297-F301 VanDerWaalsContact O-CE2 3.29Å; M297-F301 WeakPolarHBondContact O-CE2 3.23Å; F298-F301 PolarHBondContact O-N 2.8Å; F298-F301 VanDerWaalsContact O-N 3.1Å; G299-F301 PolarHBondContact O-N 3.32Å; F301-M326 HydrophobicContact CB-CE 4.29Å; F301-E331 VanDerWaalsContact O-CB 3.22Å; F301-E331 WeakPolarHBondContact O-CB 3.47Å; F301-E331 VanDerWaalsContact O-CG 3.29Å; F301-E331 WeakPolarHBondContact O-CG 3.48Å; F301-M334 HydrophobicContact CD1-CB 4.48Å; F301-A335 HydrophobicContact CB-CB 3.76Å; F301-A335 HydrophobicContact CD1-CB 4.42Å; F301-A335 HydrophobicContact CD2-CB 4.08Å; F301-A335 HydrophobicContact CG-CB 3.82Å; F301-S338 VanDerWaalsContact CE1-CB 3.41Å; F301-S338 WeakPolarHBondContact CE1-OG 3.29Å; F301-S338 VanDerWaalsContact CZ-CB 3.46Å; F301-L339 HydrophobicContact CD2-CD1 4.1Å; F301-L339 HydrophobicContact CE2-CD1 3.71Å; F301-L339 HydrophobicContact CE2-CD2 4.02Å; F301-L339 HydrophobicContact CE2-CG 3.77Å; F301-L339 HydrophobicContact CZ-CD2 4.36Å; F301-L339 HydrophobicContact CZ-CG 4.16Å |
| 302 | G | 88 | Confident | 91.5 | Very high | 17 Ų | 17 | 51.8 Ų | 51.8 | 18% | 0.175 | 29% | 0.289 | C | S | . | . | S | Bend | trans | 161.8 | 179.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | G299 V304 E331 | G299-G302 PolarHBondContact O-N 3.49Å; G302-V304 PolarHBondContact O-N 2.81Å; G302-V304 VanDerWaalsContact O-N 3.1Å; G302-E331 VanDerWaalsContact CA-CD 3.49Å; G302-E331 WeakPolarHBondContact CA-OE2 3.01Å |
| 303 | A | 88.9 | Confident | 91.1 | Very high | 59 Ų | 59 | 58.7 Ų | 58.7 | 49% | 0.488 | 31% | 0.308 | S | S | . | . | trans | -71.6 | 107.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | A327 E331 | A303-A327 HydrophobicContact CB-CB 3.97Å; A303-A327 WeakPolarHBondContact O-CB 3.37Å; A303-A327 PolarHBondContact O-N 3.15Å; A303-E331 PolarHBondContact N-OE2 2.91Å; A303-E331 VanDerWaalsContact N-OE2 3.13Å | ||
| 304 | V | 92.6 | Very high | 90.6 | Very high | 15 Ų | 15 | 62.5 Ų | 62.5 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 124.8 | 172.9 | 176.5 | 0 | 0 | 0 | 0 | 108.6 | W295 F298 G302 V307 V324 M326 | W295-V304 HydrophobicContact CD2-CB 4.32Å; W295-V304 HydrophobicContact CD2-CG1 3.9Å; W295-V304 HydrophobicContact CE3-CB 3.59Å; W295-V304 HydrophobicContact CE3-CG1 3.68Å; W295-V304 HydrophobicContact CE3-CG2 4.3Å; W295-V304 HydrophobicContact CH2-CB 3.84Å; W295-V304 HydrophobicContact CH2-CG1 3.68Å; W295-V304 WeakPolarHBondContact CH2-O 3.44Å; W295-V304 HydrophobicContact CZ2-CB 4.5Å; W295-V304 HydrophobicContact CZ2-CG1 3.85Å; W295-V304 HydrophobicContact CZ3-CB 3.35Å; W295-V304 HydrophobicContact CZ3-CG1 3.6Å; W295-V304 HydrophobicContact CZ3-CG2 4.44Å; W295-V304 VanDerWaalsContact CZ3-O 3.27Å; W295-V304 WeakPolarHBondContact CZ3-O 3.39Å; F298-V304 HydrophobicContact CB-CG2 3.71Å; G302-V304 PolarHBondContact O-N 2.81Å; G302-V304 VanDerWaalsContact O-N 3.1Å; V304-V307 HydrophobicContact CG1-CG2 3.43Å; V304-V307 VanDerWaalsContact CG1-CG2 3.43Å; V304-V324 HydrophobicContact CG1-CG1 3.89Å; V304-V324 HydrophobicContact CG2-CG1 4.29Å; V304-M326 HydrophobicContact CG2-CE 4.41Å; V304-M326 HydrophobicContact CG2-SD 3.75Å |
| 305 | V | 90.2 | Very high | 90.2 | Very high | 67 Ų | 67 | 66.6 Ų | 66.6 | 41% | 0.406 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -39.2 | -178.5 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | T325 A327 | V305-T325 HydrophobicContact CB-CG2 4.16Å; V305-T325 WeakPolarHBondContact CB-O 3.35Å; V305-T325 PolarHBondContact N-O 2.79Å; V305-A327 HydrophobicContact CG2-CB 3.8Å |
| 306 | N | 89.1 | Confident | 89.6 | Confident | 92 Ų | 92 | 66.6 Ų | 66.6 | 49% | 0.492 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 147.2 | -177.8 | -165.9 | 12.7 | 0 | 0 | 0 | 111.2 | V324 T325 | N306-V324 CarbonylContact O-C 3.54Å; N306-V324 WeakPolarHBondContact O-CA 3.34Å; N306-T325 PolarHBondContact N-O 3.07Å; N306-T325 PolarHBondContact O-N 2.89Å |
| 307 | V | 93.6 | Very high | 89.3 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 7% | 0.073 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 135.1 | 174.4 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | E291 L294 W295 V304 F323 V324 | E291-V307 HydrophobicContact CB-CG1 4.09Å; E291-V307 HydrophobicContact CG-CG1 4.3Å; L294-V307 HydrophobicContact CB-CG1 3.6Å; L294-V307 HydrophobicContact CD1-CG1 3.79Å; L294-V307 HydrophobicContact CG-CG1 4.34Å; W295-V307 VanDerWaalsContact CD1-CG2 3.47Å; W295-V307 HydrophobicContact CD2-CG2 3.83Å; W295-V307 HydrophobicContact CG-CB 4.49Å; W295-V307 HydrophobicContact CG-CG2 3.79Å; W295-V307 HydrophobicContact CZ2-CG2 4.19Å; W295-V307 VanDerWaalsContact NE1-CG2 3.27Å; V304-V307 HydrophobicContact CG1-CG2 3.43Å; V304-V307 VanDerWaalsContact CG1-CG2 3.43Å; V307-F323 CarbonylContact C-O 3.57Å; V307-F323 WeakPolarHBondContact CA-O 3.4Å; V307-V324 HydrophobicContact CG1-CG2 4.24Å; V307-V324 HydrophobicContact CG2-CG1 4.34Å; V307-V324 HydrophobicContact CG2-CG2 4.15Å |
| 308 | K | 92 | Very high | 89.1 | Confident | 78 Ų | 78 | 63.2 Ų | 63.2 | 34% | 0.339 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 117.5 | 178 | -172.7 | -179.1 | -176.4 | -173.9 | 0 | 110.9 | I310 G322 F323 | K308-I310 HydrophobicContact CD-CD1 3.95Å; K308-I310 HydrophobicContact CG-CD1 4.11Å; K308-G322 CarbonylContact O-C 3.55Å; K308-G322 WeakPolarHBondContact O-CA 3.29Å; K308-F323 PolarHBondContact N-O 3.21Å; K308-F323 PolarHBondContact O-N 3.46Å |
| 309 | V | 93.3 | Very high | 88.8 | Confident | 8 Ų | 8 | 68.7 Ų | 68.7 | 5% | 0.048 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 133.2 | 169 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | E291 L294 R311 C318 | E291-V309 HydrophobicContact CG-CB 4.43Å; E291-V309 HydrophobicContact CG-CG2 4.07Å; L294-V309 HydrophobicContact CD1-CG2 3.7Å; V309-R311 HydrophobicContact CG1-CG 4.3Å; V309-C318 HydrophobicContact CG1-CB 3.85Å; V309-C318 WeakPolarHBondContact CG1-SG 3.46Å |
| 310 | I | 90.6 | Very high | 88.7 | Confident | 34 Ų | 34 | 67.4 Ų | 67.4 | 17% | 0.174 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 120.7 | 175.9 | -57.2 | -52.7 | 0 | 0 | 0 | 108.7 | K308 K319 F321 F323 | K308-I310 HydrophobicContact CD-CD1 3.95Å; K308-I310 HydrophobicContact CG-CD1 4.11Å; I310-K319 HydrophobicContact CG2-CB 4.49Å; I310-K319 HydrophobicContact CG2-CD 3.94Å; I310-K319 HydrophobicContact CG2-CG 4.3Å; I310-K319 PolarHBondContact O-N 3.4Å; I310-F321 HydrophobicContact CB-CD2 4.06Å; I310-F321 HydrophobicContact CB-CE1 4.28Å; I310-F321 HydrophobicContact CB-CE2 3.68Å; I310-F321 HydrophobicContact CB-CZ 3.79Å; I310-F321 HydrophobicContact CG1-CD2 3.79Å; I310-F321 HydrophobicContact CG1-CE2 3.38Å; I310-F321 HydrophobicContact CG1-CZ 3.98Å; I310-F321 HydrophobicContact CG2-CE1 4.21Å; I310-F321 HydrophobicContact CG2-CE2 4Å; I310-F321 HydrophobicContact CG2-CZ 3.65Å; I310-F321 PolarHBondContact N-O 3.49Å; I310-F323 HydrophobicContact CD1-CD2 4.3Å; I310-F323 HydrophobicContact CD1-CE2 4.07Å; I310-F323 HydrophobicContact CG1-CD2 4.24Å; I310-F323 HydrophobicContact CG1-CE2 3.81Å |
| 311 | R | 92.1 | Very high | 88.6 | Confident | 82 Ų | 82 | 65 Ų | 65 | 31% | 0.309 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 151.8 | -178.2 | -62.6 | 173.2 | -173.7 | -81.9 | 1.4 | 111 | A289 D290 E291 V309 N316 K317 | A289-R311 PolarHBondContact O-NH2 3.01Å; D290-R311 VanDerWaalsContact CA-NH2 3.34Å; E291-R311 IonicContact OE1-NE 3.54Å; E291-R311 IonicContact OE1-NH2 2.8Å; E291-R311 IonicContact OE2-CZ 2.62Å; E291-R311 IonicContact OE2-NE 3.56Å; E291-R311 IonicContact OE2-NH2 2.79Å; E291-R311 PolarHBondContact OE2-NH2 3.04Å; V309-R311 HydrophobicContact CG1-CG 4.3Å; R311-N316 WeakPolarHBondContact CD-O 3.47Å; R311-N316 PolarHBondContact NH1-O 2.89Å; R311-K317 CarbonylContact C-O 3.52Å; R311-K317 WeakPolarHBondContact CA-O 3.45Å; R311-K317 WeakPolarHBondContact CB-O 3.39Å |
| 312 | D | 85.2 | Confident | 88.7 | Confident | 43 Ų | 43 | 62.6 Ų | 62.6 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | trans | -74.4 | 135 | 172.4 | -166.4 | -86.4 | 0 | 0 | 0 | 110 | N314 N316 K317 K319 | D312-N314 VanDerWaalsContact C-N 3.28Å; D312-N314 PolarHBondContact O-N 2.97Å; D312-N314 PolarHBondContact OD1-N 3.4Å; D312-N316 VanDerWaalsContact O-CA 3.23Å; D312-N316 WeakPolarHBondContact O-CA 3.25Å; D312-N316 PolarHBondContact O-N 3.32Å; D312-K317 PolarHBondContact N-O 3.41Å; D312-K319 HydrophobicContact CB-CD 4.35Å; D312-K319 HydrophobicContact CB-CG 4.09Å; D312-K319 IonicContact OD2-NZ 3.27Å | ||
| 313 | F | 82.9 | Confident | 89 | Confident | 185 Ų | 185 | 63.9 Ų | 63.9 | 81% | 0.811 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -30.6 | -174.7 | -177.3 | -100.8 | 0 | 0 | 0 | 113 | ||
| 314 | N | 81.1 | Confident | 89.3 | Confident | 138 Ų | 138 | 61 Ų | 61 | 74% | 0.738 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -33.1 | -175 | -57.3 | -61.7 | 0 | 0 | 0 | 112.2 | D312 | D312-N314 VanDerWaalsContact C-N 3.28Å; D312-N314 PolarHBondContact O-N 2.97Å; D312-N314 PolarHBondContact OD1-N 3.4Å |
| 315 | T | 85.6 | Confident | 89.3 | Confident | 87 Ų | 87 | 61.4 Ų | 61.4 | 53% | 0.534 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -10.6 | -173.8 | 66 | 0 | 0 | 0 | 0 | 113.8 | K317 | T315-K317 PolarHBondContact O-N 2.96Å; T315-K317 PolarHBondContact OG1-N 3.19Å |
| 316 | N | 79.8 | Confident | 89.4 | Confident | 115 Ų | 115 | 58.2 Ų | 58.2 | 62% | 0.615 | 29% | 0.287 | S | S | * | . | trans | 54.2 | 9.9 | -170.2 | -76.3 | -53 | 0 | 0 | 0 | 115.1 | R311 D312 | R311-N316 WeakPolarHBondContact CD-O 3.47Å; R311-N316 PolarHBondContact NH1-O 2.89Å; D312-N316 VanDerWaalsContact O-CA 3.23Å; D312-N316 WeakPolarHBondContact O-CA 3.25Å; D312-N316 PolarHBondContact O-N 3.32Å | ||
| 317 | K | 85 | Confident | 89.5 | Confident | 91 Ų | 91 | 55.7 Ų | 55.7 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | trans | -81.7 | 151.8 | 177 | -65 | -162 | 173.8 | -155.7 | 0 | 111.4 | Q287 R311 D312 T315 K319 | Q287-K317 HydrophobicContact CB-CD 4.49Å; R311-K317 CarbonylContact C-O 3.52Å; R311-K317 WeakPolarHBondContact CA-O 3.45Å; R311-K317 WeakPolarHBondContact CB-O 3.39Å; D312-K317 PolarHBondContact N-O 3.41Å; T315-K317 PolarHBondContact O-N 2.96Å; T315-K317 PolarHBondContact OG1-N 3.19Å; K317-K319 PolarHBondContact O-N 2.81Å | ||
| 318 | C | 87.1 | Confident | 89.4 | Confident | 11 Ų | 11 | 59 Ų | 59 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 131.8 | 176.6 | 177 | 0 | 0 | 0 | 0 | 110.6 | S286 Q287 V309 G320 | S286-C318 WeakPolarHBondContact O-CB 3.46Å; Q287-C318 WeakPolarHBondContact O-CB 3.43Å; Q287-C318 PolarHBondContact O-N 2.95Å; V309-C318 HydrophobicContact CG1-CB 3.85Å; V309-C318 WeakPolarHBondContact CG1-SG 3.46Å; C318-G320 PolarHBondContact O-N 3.34Å; C318-G320 PolarHBondContact SG-N 2.89Å |
| 319 | K | 88.2 | Confident | 89.3 | Confident | 115 Ų | 115 | 60.8 Ų | 60.8 | 50% | 0.5 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 9.4 | 176.2 | -56.2 | -166.9 | 81 | 163.4 | 0 | 113 | I310 D312 K317 F321 | I310-K319 HydrophobicContact CG2-CB 4.49Å; I310-K319 HydrophobicContact CG2-CD 3.94Å; I310-K319 HydrophobicContact CG2-CG 4.3Å; I310-K319 PolarHBondContact O-N 3.4Å; D312-K319 HydrophobicContact CB-CD 4.35Å; D312-K319 HydrophobicContact CB-CG 4.09Å; D312-K319 IonicContact OD2-NZ 3.27Å; K317-K319 PolarHBondContact O-N 2.81Å; K319-F321 HydrophobicContact CB-CD1 4.15Å; K319-F321 HydrophobicContact CB-CE1 3.83Å |
| 320 | G | 90.1 | Very high | 89.2 | Confident | 11 Ų | 11 | 67.8 Ų | 67.8 | 11% | 0.113 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 87.6 | 11.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y283 N284 L285 C318 | Y283-G320 CarbonylContact C-O 3.49Å; N284-G320 WeakPolarHBondContact CA-O 3.45Å; N284-G320 PolarHBondContact N-O 3.44Å; L285-G320 PolarHBondContact N-O 3.32Å; L285-G320 WeakPolarHBondContact O-CA 3.27Å; C318-G320 PolarHBondContact O-N 3.34Å; C318-G320 PolarHBondContact SG-N 2.89Å |
| 321 | F | 93.6 | Very high | 89.3 | Confident | 55 Ų | 55 | 68.4 Ų | 68.4 | 24% | 0.241 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 157.9 | 177 | 69 | -85.5 | 0 | 0 | 0 | 113.8 | F281 I282 Y283 I310 K319 F323 | F281-F321 HydrophobicContact CE2-CB 3.92Å; F281-F321 AromaticContact CE2-CD2 3.7Å; F281-F321 HydrophobicContact CE2-CD2 3.7Å; F281-F321 HydrophobicContact CE2-CG 4.1Å; F281-F321 HydrophobicContact CZ-CB 4.16Å; F281-F321 HydrophobicContact CZ-CD2 4.47Å; F281-F321 HydrophobicContact CZ-CG 4.5Å; I282-F321 CarbonylContact O-C 3.59Å; I282-F321 WeakPolarHBondContact O-CA 3.49Å; I282-F321 VanDerWaalsContact O-CB 3.31Å; I282-F321 WeakPolarHBondContact O-CB 3.24Å; Y283-F321 HydrophobicContact CD2-CB 3.7Å; Y283-F321 HydrophobicContact CD2-CG 4.48Å; Y283-F321 HydrophobicContact CE2-CB 4.33Å; I310-F321 HydrophobicContact CB-CD2 4.06Å; I310-F321 HydrophobicContact CB-CE1 4.28Å; I310-F321 HydrophobicContact CB-CE2 3.68Å; I310-F321 HydrophobicContact CB-CZ 3.79Å; I310-F321 HydrophobicContact CG1-CD2 3.79Å; I310-F321 HydrophobicContact CG1-CE2 3.38Å; I310-F321 HydrophobicContact CG1-CZ 3.98Å; I310-F321 HydrophobicContact CG2-CE1 4.21Å; I310-F321 HydrophobicContact CG2-CE2 4Å; I310-F321 HydrophobicContact CG2-CZ 3.65Å; I310-F321 PolarHBondContact N-O 3.49Å; K319-F321 HydrophobicContact CB-CD1 4.15Å; K319-F321 HydrophobicContact CB-CE1 3.83Å; F321-F323 HydrophobicContact CD2-CE2 4.17Å; F321-F323 HydrophobicContact CD2-CZ 4.36Å; F321-F323 HydrophobicContact CE2-CE2 4.14Å; F321-F323 HydrophobicContact CE2-CZ 4.34Å |
| 322 | G | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 179.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I282 K308 | I282-G322 PolarHBondContact N-O 3.26Å; I282-G322 PolarHBondContact O-N 3.23Å; K308-G322 CarbonylContact O-C 3.55Å; K308-G322 WeakPolarHBondContact O-CA 3.29Å |
| 323 | F | 95.3 | Very high | 89.7 | Confident | 43 Ų | 43 | 64 Ų | 64 | 19% | 0.189 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 137.9 | -178.8 | -58.2 | -84.9 | 0 | 0 | 0 | 109.8 | L280 F281 V307 K308 I310 F321 K354 | L280-F323 VanDerWaalsContact O-CA 3.24Å; L280-F323 WeakPolarHBondContact O-CA 3.36Å; F281-F323 HydrophobicContact CB-CE1 4.43Å; F281-F323 HydrophobicContact CD2-CD1 4.07Å; F281-F323 AromaticContact CD2-CE1 3.51Å; F281-F323 HydrophobicContact CD2-CE1 3.51Å; F281-F323 AromaticContact CD2-CZ 3.94Å; F281-F323 HydrophobicContact CD2-CZ 3.94Å; F281-F323 HydrophobicContact CE2-CE1 4.24Å; F281-F323 HydrophobicContact CE2-CZ 4.22Å; F281-F323 HydrophobicContact CG-CE1 4.41Å; V307-F323 CarbonylContact C-O 3.57Å; V307-F323 WeakPolarHBondContact CA-O 3.4Å; K308-F323 PolarHBondContact N-O 3.21Å; K308-F323 PolarHBondContact O-N 3.46Å; I310-F323 HydrophobicContact CD1-CD2 4.3Å; I310-F323 HydrophobicContact CD1-CE2 4.07Å; I310-F323 HydrophobicContact CG1-CD2 4.24Å; I310-F323 HydrophobicContact CG1-CE2 3.81Å; F321-F323 HydrophobicContact CD2-CE2 4.17Å; F321-F323 HydrophobicContact CD2-CZ 4.36Å; F321-F323 HydrophobicContact CE2-CE2 4.14Å; F321-F323 HydrophobicContact CE2-CZ 4.34Å; F323-K354 HydrophobicContact CD1-CD 4Å; F323-K354 HydrophobicContact CE1-CD 3.96Å; F323-K354 HydrophobicContact CE1-CG 4.26Å |
| 324 | V | 95.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 126.1 | 172.6 | 175.9 | 0 | 0 | 0 | 0 | 107.7 | L280 I282 L294 F298 V304 N306 V307 M326 | L280-V324 WeakPolarHBondContact CA-O 3.48Å; L280-V324 WeakPolarHBondContact CB-O 3.29Å; L280-V324 PolarHBondContact N-O 2.75Å; L280-V324 PolarHBondContact O-N 3.35Å; I282-V324 HydrophobicContact CD1-CB 3.82Å; I282-V324 HydrophobicContact CD1-CG2 3.56Å; I282-V324 HydrophobicContact CG1-CG2 4.48Å; L294-V324 HydrophobicContact CB-CG2 4.17Å; L294-V324 HydrophobicContact CD1-CG2 4.26Å; F298-V324 HydrophobicContact CB-CG1 4.03Å; F298-V324 HydrophobicContact CD1-CB 4.36Å; F298-V324 HydrophobicContact CD1-CG1 3.95Å; F298-V324 HydrophobicContact CD2-CG1 4.45Å; F298-V324 HydrophobicContact CD2-CG2 3.96Å; F298-V324 HydrophobicContact CE2-CG2 4.08Å; F298-V324 HydrophobicContact CG-CB 4.39Å; F298-V324 HydrophobicContact CG-CG1 3.88Å; F298-V324 HydrophobicContact CG-CG2 4.23Å; F298-V324 HydrophobicContact CZ-CG2 4.46Å; V304-V324 HydrophobicContact CG1-CG1 3.89Å; V304-V324 HydrophobicContact CG2-CG1 4.29Å; N306-V324 CarbonylContact O-C 3.54Å; N306-V324 WeakPolarHBondContact O-CA 3.34Å; V307-V324 HydrophobicContact CG1-CG2 4.24Å; V307-V324 HydrophobicContact CG2-CG1 4.34Å; V307-V324 HydrophobicContact CG2-CG2 4.15Å; V324-M326 HydrophobicContact CG1-SD 3.96Å |
| 325 | T | 93 | Very high | 90.8 | Very high | 23 Ų | 23 | 53.9 Ų | 53.9 | 14% | 0.141 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 117.6 | 175.1 | -59 | 0 | 0 | 0 | 0 | 108.6 | W278 V305 N306 | W278-T325 WeakPolarHBondContact O-CA 3.36Å; V305-T325 HydrophobicContact CB-CG2 4.16Å; V305-T325 WeakPolarHBondContact CB-O 3.35Å; V305-T325 PolarHBondContact N-O 2.79Å; N306-T325 PolarHBondContact N-O 3.07Å; N306-T325 PolarHBondContact O-N 2.89Å |
| 326 | M | 92.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 149.4 | 174.7 | -58.9 | -63.2 | -71.8 | 0 | 0 | 110.2 | G277 W278 L280 F298 F301 V304 V324 E331 A332 | G277-M326 CarbonylContact C-O 3.42Å; G277-M326 WeakPolarHBondContact CA-O 3.46Å; W278-M326 PolarHBondContact N-O 2.73Å; W278-M326 PolarHBondContact O-N 2.92Å; L280-M326 HydrophobicContact CD1-CG 3.86Å; L280-M326 HydrophobicContact CG-CG 4.35Å; F298-M326 HydrophobicContact CB-SD 4.28Å; F298-M326 HydrophobicContact CD1-SD 4.2Å; F301-M326 HydrophobicContact CB-CE 4.29Å; V304-M326 HydrophobicContact CG2-CE 4.41Å; V304-M326 HydrophobicContact CG2-SD 3.75Å; V324-M326 HydrophobicContact CG1-SD 3.96Å; M326-E331 HydrophobicContact CE-CB 4.19Å; M326-A332 HydrophobicContact CB-CB 3.78Å; M326-A332 HydrophobicContact CG-CB 3.82Å |
| 327 | A | 89.4 | Confident | 91.9 | Very high | 38 Ų | 38 | 53.1 Ų | 53.1 | 31% | 0.314 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -67.1 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A303 V305 | A303-A327 HydrophobicContact CB-CB 3.97Å; A303-A327 WeakPolarHBondContact O-CB 3.37Å; A303-A327 PolarHBondContact O-N 3.15Å; V305-A327 HydrophobicContact CG2-CB 3.8Å |
| 328 | N | 91.3 | Very high | 92.3 | Very high | 82 Ų | 82 | 51.9 Ų | 51.9 | 44% | 0.439 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -115.8 | 149 | -171.1 | -61.3 | -33.5 | 0 | 0 | 0 | 112.3 | E331 A332 | N328-E331 HydrophobicContact CB-CB 4.14Å; N328-E331 HydrophobicContact CB-CG 3.93Å; N328-E331 VanDerWaalsContact ND2-CD 3.3Å; N328-E331 PolarHBondContact ND2-OE1 3.06Å; N328-E331 PolarHBondContact ND2-OE2 3.48Å; N328-A332 WeakPolarHBondContact O-CB 3.43Å; N328-A332 PolarHBondContact O-N 2.89Å |
| 329 | Y | 91.1 | Very high | 92.6 | Very high | 116 Ų | 116 | 51.9 Ų | 51.9 | 46% | 0.455 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.1 | -47.7 | -178.8 | 178.9 | -108.1 | 0 | 0 | 0 | 111.8 | W278 E331 A332 A333 F353 | W278-Y329 VanDerWaalsContact CD1-CA 3.45Å; W278-Y329 AromaticContact CD2-CD2 3.58Å; W278-Y329 HydrophobicContact CD2-CD2 3.58Å; W278-Y329 HydrophobicContact CD2-CG 4.22Å; W278-Y329 VanDerWaalsContact CE2-CB 3.43Å; W278-Y329 AromaticContact CE2-CD2 3.8Å; W278-Y329 AromaticContact CE3-CD2 3.43Å; W278-Y329 HydrophobicContact CE3-CD2 3.43Å; W278-Y329 VanDerWaalsContact CE3-CD2 3.43Å; W278-Y329 HydrophobicContact CE3-CE2 4.08Å; W278-Y329 HydrophobicContact CE3-CG 4.44Å; W278-Y329 HydrophobicContact CG-CD2 4.29Å; W278-Y329 AromaticContact CH2-CD2 3.68Å; W278-Y329 HydrophobicContact CH2-CD2 3.68Å; W278-Y329 HydrophobicContact CH2-CE2 4.31Å; W278-Y329 HydrophobicContact CH2-CG 4.23Å; W278-Y329 AromaticContact CZ2-CD2 3.86Å; W278-Y329 HydrophobicContact CZ2-CD2 3.86Å; W278-Y329 HydrophobicContact CZ2-CG 4.05Å; W278-Y329 AromaticContact CZ3-CD2 3.48Å; W278-Y329 HydrophobicContact CZ3-CD2 3.48Å; W278-Y329 VanDerWaalsContact CZ3-CD2 3.48Å; W278-Y329 AromaticContact CZ3-CE2 3.9Å; W278-Y329 HydrophobicContact CZ3-CE2 3.9Å; W278-Y329 HydrophobicContact CZ3-CG 4.43Å; Y329-E331 VanDerWaalsContact C-N 3.35Å; Y329-E331 PolarHBondContact O-N 3.2Å; Y329-A332 WeakPolarHBondContact O-CB 3.28Å; Y329-A332 PolarHBondContact O-N 3.49Å; Y329-A332 VanDerWaalsContact O-N 3.11Å; Y329-A333 PolarHBondContact O-N 3.3Å; Y329-F353 HydrophobicContact CD2-CE1 4.15Å; Y329-F353 AromaticContact CD2-CZ 3.91Å; Y329-F353 HydrophobicContact CD2-CZ 3.91Å; Y329-F353 AromaticContact CE2-CE1 3.97Å; Y329-F353 HydrophobicContact CE2-CE1 3.97Å; Y329-F353 AromaticContact CE2-CE2 3.98Å; Y329-F353 HydrophobicContact CE2-CE2 3.98Å; Y329-F353 AromaticContact CE2-CZ 3.43Å; Y329-F353 HydrophobicContact CE2-CZ 3.43Å; Y329-F353 VanDerWaalsContact CE2-CZ 3.43Å |
| 330 | E | 91.5 | Very high | 92.8 | Very high | 155 Ų | 155 | 50.4 Ų | 50.4 | 72% | 0.724 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63 | -43.8 | -175.4 | -63.8 | 179.6 | 175.4 | 0 | 0 | 110.7 | A332 A333 M334 | E330-A332 VanDerWaalsContact C-N 3.33Å; E330-A332 PolarHBondContact O-N 3.24Å; E330-A333 PolarHBondContact O-N 3.24Å; E330-M334 WeakPolarHBondContact O-CG 3.29Å; E330-M334 PolarHBondContact O-N 3.1Å |
| 331 | E | 92.3 | Very high | 92.8 | Very high | 46 Ų | 46 | 51.9 Ų | 51.9 | 22% | 0.215 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 172 | -67.2 | 175.8 | -168.7 | 0 | 0 | 112 | F301 G302 A303 M326 N328 Y329 M334 A335 | F301-E331 VanDerWaalsContact O-CB 3.22Å; F301-E331 WeakPolarHBondContact O-CB 3.47Å; F301-E331 VanDerWaalsContact O-CG 3.29Å; F301-E331 WeakPolarHBondContact O-CG 3.48Å; G302-E331 VanDerWaalsContact CA-CD 3.49Å; G302-E331 WeakPolarHBondContact CA-OE2 3.01Å; A303-E331 PolarHBondContact N-OE2 2.91Å; A303-E331 VanDerWaalsContact N-OE2 3.13Å; M326-E331 HydrophobicContact CE-CB 4.19Å; N328-E331 HydrophobicContact CB-CB 4.14Å; N328-E331 HydrophobicContact CB-CG 3.93Å; N328-E331 VanDerWaalsContact ND2-CD 3.3Å; N328-E331 PolarHBondContact ND2-OE1 3.06Å; N328-E331 PolarHBondContact ND2-OE2 3.48Å; Y329-E331 VanDerWaalsContact C-N 3.35Å; Y329-E331 PolarHBondContact O-N 3.2Å; E331-M334 PolarHBondContact O-N 3.1Å; E331-A335 WeakPolarHBondContact O-CB 3.23Å; E331-A335 PolarHBondContact O-N 3.49Å |
| 332 | A | 92.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | W278 L280 M326 N328 Y329 E330 A335 I336 F353 | W278-A332 HydrophobicContact CB-CB 3.87Å; L280-A332 HydrophobicContact CD1-CB 4.34Å; L280-A332 HydrophobicContact CD2-CB 4.08Å; L280-A332 HydrophobicContact CG-CB 4.45Å; M326-A332 HydrophobicContact CB-CB 3.78Å; M326-A332 HydrophobicContact CG-CB 3.82Å; N328-A332 WeakPolarHBondContact O-CB 3.43Å; N328-A332 PolarHBondContact O-N 2.89Å; Y329-A332 WeakPolarHBondContact O-CB 3.28Å; Y329-A332 PolarHBondContact O-N 3.49Å; Y329-A332 VanDerWaalsContact O-N 3.11Å; E330-A332 VanDerWaalsContact C-N 3.33Å; E330-A332 PolarHBondContact O-N 3.24Å; A332-A335 PolarHBondContact O-N 2.93Å; A332-I336 WeakPolarHBondContact O-CG1 2.99Å; A332-I336 PolarHBondContact O-N 3.11Å; A332-F353 HydrophobicContact CB-CE1 3.95Å; A332-F353 HydrophobicContact CB-CZ 4.32Å |
| 333 | A | 92.7 | Very high | 92.6 | Very high | 34 Ų | 34 | 61.6 Ų | 61.6 | 28% | 0.281 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y329 E330 I336 H337 F353 | Y329-A333 PolarHBondContact O-N 3.3Å; E330-A333 PolarHBondContact O-N 3.24Å; A333-I336 PolarHBondContact O-N 3.13Å; A333-H337 PolarHBondContact O-N 3.27Å; A333-F353 HydrophobicContact CB-CZ 4.36Å |
| 334 | M | 93.6 | Very high | 92.1 | Very high | 109 Ų | 109 | 61.4 Ų | 61.4 | 54% | 0.537 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 173.4 | -71.1 | -162.1 | -64.2 | 0 | 0 | 111.8 | F301 E330 E331 I336 H337 S338 | F301-M334 HydrophobicContact CD1-CB 4.48Å; E330-M334 WeakPolarHBondContact O-CG 3.29Å; E330-M334 PolarHBondContact O-N 3.1Å; E331-M334 PolarHBondContact O-N 3.1Å; M334-I336 VanDerWaalsContact C-N 3.33Å; M334-I336 PolarHBondContact O-N 3.43Å; M334-H337 PolarHBondContact O-N 2.98Å; M334-H337 VanDerWaalsContact O-N 3.15Å; M334-S338 PolarHBondContact O-N 2.9Å; M334-S338 PolarHBondContact O-OG 3.47Å |
| 335 | A | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L280 F298 F301 E331 A332 S338 L339 | L280-A335 HydrophobicContact CD1-CB 4.26Å; F298-A335 HydrophobicContact CD1-CB 3.83Å; F298-A335 HydrophobicContact CE1-CB 3.98Å; F301-A335 HydrophobicContact CB-CB 3.76Å; F301-A335 HydrophobicContact CD1-CB 4.42Å; F301-A335 HydrophobicContact CD2-CB 4.08Å; F301-A335 HydrophobicContact CG-CB 3.82Å; E331-A335 WeakPolarHBondContact O-CB 3.23Å; E331-A335 PolarHBondContact O-N 3.49Å; A332-A335 PolarHBondContact O-N 2.93Å; A335-S338 PolarHBondContact O-N 3.17Å; A335-L339 VanDerWaalsContact O-CB 3.23Å; A335-L339 WeakPolarHBondContact O-CB 3.3Å; A335-L339 WeakPolarHBondContact O-CG 3.18Å; A335-L339 PolarHBondContact O-N 2.76Å |
| 336 | I | 95.1 | Very high | 91.1 | Very high | 25 Ų | 25 | 70.6 Ų | 70.6 | 13% | 0.128 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 173.2 | -69.9 | 158.9 | 0 | 0 | 0 | 110.6 | L280 A332 A333 M334 S338 L339 N340 V351 F353 | L280-I336 HydrophobicContact CD1-CG1 4.26Å; L280-I336 HydrophobicContact CD2-CD1 3.48Å; L280-I336 VanDerWaalsContact CD2-CD1 3.48Å; L280-I336 HydrophobicContact CD2-CG1 3.75Å; A332-I336 WeakPolarHBondContact O-CG1 2.99Å; A332-I336 PolarHBondContact O-N 3.11Å; A333-I336 PolarHBondContact O-N 3.13Å; M334-I336 VanDerWaalsContact C-N 3.33Å; M334-I336 PolarHBondContact O-N 3.43Å; I336-S338 VanDerWaalsContact C-N 3.26Å; I336-S338 PolarHBondContact O-N 3.33Å; I336-L339 PolarHBondContact O-N 2.86Å; I336-N340 HydrophobicContact CG2-CB 4.37Å; I336-N340 WeakPolarHBondContact O-CB 3.4Å; I336-N340 PolarHBondContact O-N 2.98Å; I336-V351 HydrophobicContact CG1-CG1 3.92Å; I336-V351 WeakPolarHBondContact CG2-O 3.46Å; I336-F353 HydrophobicContact CD1-CD1 4.01Å; I336-F353 HydrophobicContact CD1-CD2 3.45Å; I336-F353 VanDerWaalsContact CD1-CD2 3.45Å; I336-F353 HydrophobicContact CD1-CE1 3.9Å; I336-F353 HydrophobicContact CD1-CE2 3.32Å; I336-F353 HydrophobicContact CD1-CG 3.8Å; I336-F353 HydrophobicContact CD1-CZ 3.56Å |
| 337 | H | 92.6 | Very high | 90.8 | Very high | 162 Ų | 162 | 73.2 Ų | 73.2 | 75% | 0.75 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59.8 | -37.9 | -176.7 | -174.5 | 74.7 | 0 | 0 | 0 | 112.4 | A333 M334 | A333-H337 PolarHBondContact O-N 3.27Å; M334-H337 PolarHBondContact O-N 2.98Å; M334-H337 VanDerWaalsContact O-N 3.15Å |
| 338 | S | 92.4 | Very high | 91 | Very high | 64 Ų | 64 | 74.5 Ų | 74.5 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -87.6 | -31.1 | -177.8 | -61.9 | 0 | 0 | 0 | 0 | 114.6 | F301 M334 A335 I336 | F301-S338 VanDerWaalsContact CE1-CB 3.41Å; F301-S338 WeakPolarHBondContact CE1-OG 3.29Å; F301-S338 VanDerWaalsContact CZ-CB 3.46Å; M334-S338 PolarHBondContact O-N 2.9Å; M334-S338 PolarHBondContact O-OG 3.47Å; A335-S338 PolarHBondContact O-N 3.17Å; I336-S338 VanDerWaalsContact C-N 3.26Å; I336-S338 PolarHBondContact O-N 3.33Å |
| 339 | L | 94.2 | Very high | 91.1 | Very high | 11 Ų | 11 | 70.7 Ų | 70.7 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -102.3 | -16.5 | -173.9 | -62.6 | 174.8 | 0 | 0 | 0 | 113.9 | M297 F298 F301 A335 I336 G341 Y342 V351 | M297-L339 HydrophobicContact CB-CD1 4.39Å; F298-L339 HydrophobicContact CD1-CD1 3.88Å; F298-L339 HydrophobicContact CD2-CD1 3.84Å; F298-L339 HydrophobicContact CE1-CD1 3.69Å; F298-L339 HydrophobicContact CE2-CD1 3.67Å; F298-L339 HydrophobicContact CG-CD1 3.96Å; F298-L339 HydrophobicContact CZ-CD1 3.59Å; F301-L339 HydrophobicContact CD2-CD1 4.1Å; F301-L339 HydrophobicContact CE2-CD1 3.71Å; F301-L339 HydrophobicContact CE2-CD2 4.02Å; F301-L339 HydrophobicContact CE2-CG 3.77Å; F301-L339 HydrophobicContact CZ-CD2 4.36Å; F301-L339 HydrophobicContact CZ-CG 4.16Å; A335-L339 VanDerWaalsContact O-CB 3.23Å; A335-L339 WeakPolarHBondContact O-CB 3.3Å; A335-L339 WeakPolarHBondContact O-CG 3.18Å; A335-L339 PolarHBondContact O-N 2.76Å; I336-L339 PolarHBondContact O-N 2.86Å; L339-G341 PolarHBondContact O-N 3.44Å; L339-Y342 HydrophobicContact CD2-CG 4.42Å; L339-Y342 VanDerWaalsContact O-CB 3.28Å; L339-Y342 WeakPolarHBondContact O-CB 3.29Å; L339-Y342 PolarHBondContact O-N 3.39Å; L339-Y342 VanDerWaalsContact O-N 3.11Å; L339-V351 HydrophobicContact CB-CG2 3.95Å |
| 340 | N | 92.9 | Very high | 91.2 | Very high | 85 Ų | 85 | 70.3 Ų | 70.3 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 115.3 | 171.9 | -171.1 | 30.2 | 0 | 0 | 0 | 109.7 | I336 Q350 V351 | I336-N340 HydrophobicContact CG2-CB 4.37Å; I336-N340 WeakPolarHBondContact O-CB 3.4Å; I336-N340 PolarHBondContact O-N 2.98Å; N340-Q350 WeakPolarHBondContact OD1-CA 3.41Å; N340-V351 HydrophobicContact CB-CB 4.15Å; N340-V351 PolarHBondContact OD1-N 3.41Å; N340-V351 VanDerWaalsContact OD1-N 3.09Å |
| 341 | G | 90.1 | Very high | 91.4 | Very high | 42 Ų | 42 | 63 Ų | 63 | 43% | 0.433 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | 2.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L339 V348 L349 | L339-G341 PolarHBondContact O-N 3.44Å; G341-V348 WeakPolarHBondContact O-CG1 3.11Å; G341-L349 WeakPolarHBondContact CA-O 3.35Å; G341-L349 PolarHBondContact N-O 2.99Å |
| 342 | Y | 92.2 | Very high | 91.4 | Very high | 112 Ų | 112 | 63.5 Ų | 63.5 | 44% | 0.439 | 36% | 0.356 | S | S | . | . | trans | -68 | 133.1 | 179 | -175 | -99.2 | 0 | 0 | 0 | 111.7 | M297 L339 L344 L349 | M297-Y342 HydrophobicContact SD-CD1 4.3Å; M297-Y342 HydrophobicContact SD-CE1 4.2Å; L339-Y342 HydrophobicContact CD2-CG 4.42Å; L339-Y342 VanDerWaalsContact O-CB 3.28Å; L339-Y342 WeakPolarHBondContact O-CB 3.29Å; L339-Y342 PolarHBondContact O-N 3.39Å; L339-Y342 VanDerWaalsContact O-N 3.11Å; Y342-L344 HydrophobicContact CD1-CB 4.44Å; Y342-L349 HydrophobicContact CD1-CD1 4.12Å; Y342-L349 PolarHBondContact O-N 3.38Å | ||
| 343 | Q | 90.2 | Very high | 91.4 | Very high | 147 Ų | 147 | 66.6 Ų | 66.6 | 69% | 0.687 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 115.8 | 178.1 | -70.9 | -174.8 | -1.6 | 0 | 0 | 110.6 | V348 | Q343-V348 HydrophobicContact CG-CG2 4.22Å |
| 344 | L | 84 | Confident | 91.2 | Very high | 39 Ų | 39 | 70.1 Ų | 70.1 | 20% | 0.204 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 93.6 | 174.4 | -174.2 | 63.1 | 0 | 0 | 0 | 109.2 | M293 M297 Y342 K347 L349 | M293-L344 HydrophobicContact CE-CD1 3.35Å; M293-L344 HydrophobicContact CE-CD2 4.1Å; M293-L344 HydrophobicContact CE-CG 4.39Å; M293-L344 HydrophobicContact CG-CD2 4.46Å; M297-L344 HydrophobicContact CE-CD2 4.31Å; Y342-L344 HydrophobicContact CD1-CB 4.44Å; L344-K347 PolarHBondContact N-O 3.11Å; L344-K347 PolarHBondContact O-N 2.94Å; L344-L349 HydrophobicContact CB-CD1 4.34Å; L344-L349 HydrophobicContact CB-CD2 4.28Å; L344-L349 HydrophobicContact CB-CG 4.19Å; L344-L349 HydrophobicContact CD2-CD1 4.4Å; L344-L349 HydrophobicContact CD2-CD2 4.37Å |
| 345 | G | 82.5 | Confident | 90.7 | Very high | 72 Ų | 72 | 70.5 Ų | 70.5 | 74% | 0.742 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | -125.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K347 | G345-K347 VanDerWaalsContact C-N 3.31Š|
| 346 | D | 85.4 | Confident | 88.9 | Confident | 143 Ų | 143 | 77.9 Ų | 77.9 | 77% | 0.765 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -2.1 | 175.8 | 64.4 | -46.3 | 0 | 0 | 0 | 113.4 | ||
| 347 | K | 87.1 | Confident | 86.8 | Confident | 56 Ų | 56 | 85.9 Ų | 85.9 | 24% | 0.243 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 144.2 | -174.9 | -60.9 | -165.4 | 179.3 | -159.9 | 0 | 112.6 | N284 L285 L344 G345 | N284-K347 WeakPolarHBondContact O-CD 3.22Å; L285-K347 PolarHBondContact O-NZ 3.3Å; L344-K347 PolarHBondContact N-O 3.11Å; L344-K347 PolarHBondContact O-N 2.94Å; G345-K347 VanDerWaalsContact C-N 3.31Å |
| 348 | V | 92 | Very high | 84.3 | Confident | 64 Ų | 64 | 81.4 Ų | 81.4 | 39% | 0.388 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 118.3 | 173.6 | -173.6 | 0 | 0 | 0 | 0 | 108.6 | N284 G341 Q343 | N284-V348 WeakPolarHBondContact CB-O 3.37Å; N284-V348 PolarHBondContact ND2-N 3.36Å; N284-V348 PolarHBondContact ND2-O 3.45Å; G341-V348 WeakPolarHBondContact O-CG1 3.11Å; Q343-V348 HydrophobicContact CG-CG2 4.22Å |
| 349 | L | 93.4 | Very high | 81.6 | Confident | 2 Ų | 2 | 87.9 Ų | 87.9 | 1% | 0.01 | 48% | 0.481 | C | S | . | . | trans | -69.2 | 142 | -179.4 | -59.9 | -173.8 | 0 | 0 | 0 | 111 | L285 M297 G341 Y342 L344 | L285-L349 HydrophobicContact CD2-CD2 3.79Å; M297-L349 HydrophobicContact CE-CD1 3.75Å; M297-L349 HydrophobicContact SD-CD1 4.03Å; G341-L349 WeakPolarHBondContact CA-O 3.35Å; G341-L349 PolarHBondContact N-O 2.99Å; Y342-L349 HydrophobicContact CD1-CD1 4.12Å; Y342-L349 PolarHBondContact O-N 3.38Å; L344-L349 HydrophobicContact CB-CD1 4.34Å; L344-L349 HydrophobicContact CB-CD2 4.28Å; L344-L349 HydrophobicContact CB-CG 4.19Å; L344-L349 HydrophobicContact CD2-CD1 4.4Å; L344-L349 HydrophobicContact CD2-CD2 4.37Å | ||
| 350 | Q | 93.5 | Very high | 78.6 | Confident | 109 Ų | 109 | 100.7 Ų | 100.7 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 122.6 | 169.4 | -68.5 | -179.6 | -16.4 | 0 | 0 | 108.5 | I282 Y283 N340 | I282-Q350 CarbonylContact C-O 3.56Å; I282-Q350 WeakPolarHBondContact CA-O 3.47Å; Y283-Q350 PolarHBondContact N-O 3.15Å; Y283-Q350 PolarHBondContact O-N 3.15Å; N340-Q350 WeakPolarHBondContact OD1-CA 3.41Å |
| 351 | V | 95.3 | Very high | 77.9 | Confident | 2 Ų | 2 | 101.5 Ų | 101.5 | 1% | 0.012 | 54% | 0.54 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 127.6 | -177.3 | -169.8 | 0 | 0 | 0 | 0 | 108.7 | L280 F281 I282 F298 I336 L339 N340 | L280-V351 HydrophobicContact CB-CG1 4.48Å; L280-V351 HydrophobicContact CD1-CG1 4.45Å; F281-V351 WeakPolarHBondContact O-CA 3.41Å; I282-V351 HydrophobicContact CG1-CG1 4.33Å; I282-V351 HydrophobicContact CG1-CG2 4.37Å; I282-V351 HydrophobicContact CG2-CG2 4.41Å; F298-V351 HydrophobicContact CE1-CG1 4.08Å; F298-V351 HydrophobicContact CZ-CG1 3.9Å; F298-V351 HydrophobicContact CZ-CG2 4.26Å; I336-V351 HydrophobicContact CG1-CG1 3.92Å; I336-V351 WeakPolarHBondContact CG2-O 3.46Å; L339-V351 HydrophobicContact CB-CG2 3.95Å; N340-V351 HydrophobicContact CB-CB 4.15Å; N340-V351 PolarHBondContact OD1-N 3.41Å; N340-V351 VanDerWaalsContact OD1-N 3.09Å |
| 352 | S | 93.1 | Very high | 77.2 | Confident | 55 Ų | 55 | 104.6 Ų | 104.6 | 39% | 0.385 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 164.4 | 178.8 | 62.3 | 0 | 0 | 0 | 0 | 111.4 | L280 F281 K354 | L280-S352 CarbonylContact C-O 3.54Å; L280-S352 WeakPolarHBondContact CA-O 3.44Å; F281-S352 PolarHBondContact N-O 3.3Å; F281-S352 PolarHBondContact O-N 2.67Å; S352-K354 PolarHBondContact O-N 2.98Å |
| 353 | F | 93.5 | Very high | 76.4 | Confident | 66 Ų | 66 | 104.2 Ų | 104.2 | 29% | 0.289 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -63.6 | 137.1 | 169.1 | -74.5 | -70.8 | 0 | 0 | 0 | 110.1 | W278 L280 Y329 A332 A333 I336 T355 | W278-F353 HydrophobicContact CB-CE1 4.37Å; W278-F353 HydrophobicContact CE3-CE1 4.44Å; L280-F353 HydrophobicContact CD2-CD1 3.65Å; L280-F353 HydrophobicContact CD2-CE1 3.77Å; L280-F353 HydrophobicContact CD2-CG 4.36Å; Y329-F353 HydrophobicContact CD2-CE1 4.15Å; Y329-F353 AromaticContact CD2-CZ 3.91Å; Y329-F353 HydrophobicContact CD2-CZ 3.91Å; Y329-F353 AromaticContact CE2-CE1 3.97Å; Y329-F353 HydrophobicContact CE2-CE1 3.97Å; Y329-F353 AromaticContact CE2-CE2 3.98Å; Y329-F353 HydrophobicContact CE2-CE2 3.98Å; Y329-F353 AromaticContact CE2-CZ 3.43Å; Y329-F353 HydrophobicContact CE2-CZ 3.43Å; Y329-F353 VanDerWaalsContact CE2-CZ 3.43Å; A332-F353 HydrophobicContact CB-CE1 3.95Å; A332-F353 HydrophobicContact CB-CZ 4.32Å; A333-F353 HydrophobicContact CB-CZ 4.36Å; I336-F353 HydrophobicContact CD1-CD1 4.01Å; I336-F353 HydrophobicContact CD1-CD2 3.45Å; I336-F353 VanDerWaalsContact CD1-CD2 3.45Å; I336-F353 HydrophobicContact CD1-CE1 3.9Å; I336-F353 HydrophobicContact CD1-CE2 3.32Å; I336-F353 HydrophobicContact CD1-CG 3.8Å; I336-F353 HydrophobicContact CD1-CZ 3.56Å; F353-T355 PolarHBondContact O-N 3.41Å |
| 354 | K | 87.9 | Confident | 75.6 | Confident | 107 Ų | 107 | 101.6 Ų | 101.6 | 47% | 0.465 | 54% | 0.544 | S | S | . | . | trans | -63.8 | 112.1 | 176.1 | -179.7 | -178.1 | 174.3 | -176.2 | 0 | 109.4 | C279 F323 S352 | C279-K354 HydrophobicContact CB-CB 4.09Å; C279-K354 HydrophobicContact CB-CD 4.11Å; C279-K354 VanDerWaalsContact O-CB 3.29Å; C279-K354 WeakPolarHBondContact O-CB 2.99Å; C279-K354 PolarHBondContact O-N 3.16Å; C279-K354 VanDerWaalsContact SG-CD 3.53Å; F323-K354 HydrophobicContact CD1-CD 4Å; F323-K354 HydrophobicContact CE1-CD 3.96Å; F323-K354 HydrophobicContact CE1-CG 4.26Å; S352-K354 PolarHBondContact O-N 2.98Å | ||
| 355 | T | 81.7 | Confident | 75.1 | Confident | 117 Ų | 117 | 105.6 Ų | 105.6 | 72% | 0.718 | 57% | 0.565 | S | S | * | * | trans | -80.1 | 132.4 | 170 | 57.5 | 0 | 0 | 0 | 0 | 109.3 | F353 K357 | F353-T355 PolarHBondContact O-N 3.41Å; T355-K357 PolarHBondContact O-N 2.83Å | ||
| 356 | N | 58.3 | Low | 74.6 | Confident | 155 Ų | 155 | 107.8 Ų | 107.8 | 83% | 0.829 | 55% | 0.553 | S | S | * | * | trans | -74.6 | 116.6 | 171.9 | -142.4 | 2.6 | 0 | 0 | 0 | 106.6 | G358 | N356-G358 VanDerWaalsContact C-N 3.3Å; N356-G358 PolarHBondContact O-N 3.47Å | ||
| 357 | K | 51.5 | Low | 73.8 | Confident | 194 Ų | 194 | 105.3 Ų | 105.3 | 84% | 0.843 | 54% | 0.538 | S | S | * | . | trans | -66.5 | 95 | 173.9 | -75.6 | -174.8 | 176.6 | -178.3 | 0 | 107.7 | T355 H359 | T355-K357 PolarHBondContact O-N 2.83Å; K357-H359 PolarHBondContact O-N 3.45Å | ||
| 358 | G | 39.4 | Very low | 72.8 | Confident | 68 Ų | 68 | 109.1 Ų | 109.1 | 70% | 0.701 | 56% | 0.561 | S | S | * | * | trans | -58.5 | 123.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | N356 K360 | N356-G358 VanDerWaalsContact C-N 3.3Å; N356-G358 PolarHBondContact O-N 3.47Å; G358-K360 PolarHBondContact O-N 2.96Å | ||
| 359 | H | 35.5 | Very low | 71.2 | Confident | 199 Ų | 199 | 112.8 Ų | 112.8 | 92% | 0.921 | 58% | 0.575 | S | S | * | * | trans | -49.3 | 124.3 | 169 | -79.9 | -96.8 | 0 | 0 | 0 | 108.6 | K357 | K357-H359 PolarHBondContact O-N 3.45Š| ||
| 360 | K | 30.8 | Very low | 69.1 | Low | 280 Ų | 280 | 122.9 Ų | 122.9 | 100% | 1.217 | 63% | 0.626 | S | S | * | * | trans | -115.5 | 0 | 162.8 | -152.4 | -174 | -177.6 | -165.4 | 0 | 108 | G358 | G358-K360 PolarHBondContact O-N 2.96Š|
Retrieved 360 of 360 residues in 203.8 ms
(Link to these results)