| 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 | 50.3 | Low | 50.3 | Low | 236 Ų | 236 | 160.8 Ų | 160.8 | 100% | 1.163 | 89% | 0.888 | S | S | * | * | 0 | 117.4 | 0 | -94.8 | 168.7 | 53.6 | 0 | 0 | 107.5 | |||||
| 2 | L | 51.1 | Low | 49.3 | Very low | 179 Ų | 179 | 163 Ų | 163 | 94% | 0.937 | 88% | 0.875 | S | S | * | * | trans | 156.9 | 90.6 | 150.5 | -83.6 | 178.6 | 0 | 0 | 0 | 108.3 | ||||
| 3 | S | 45.9 | Very low | 48.5 | Very low | 120 Ų | 120 | 169.8 Ų | 169.8 | 84% | 0.839 | 88% | 0.881 | S | S | * | * | trans | -162.6 | 79.7 | 152.9 | 61.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 4 | E | 61.6 | Low | 47.9 | Very low | 200 Ų | 200 | 165.3 Ų | 165.3 | 94% | 0.935 | 86% | 0.859 | S | S | * | * | trans | -124.9 | 137.2 | 165.6 | -70.3 | -168.2 | -160.5 | 0 | 0 | 109.1 | ||||
| 5 | G | 56.1 | Low | 47.7 | Very low | 63 Ų | 63 | 164.3 Ų | 164.3 | 65% | 0.649 | 86% | 0.855 | S | S | * | * | trans | 105.9 | 96.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 6 | Y | 50 | Low | 47.4 | Very low | 238 Ų | 238 | 163.8 Ų | 163.8 | 93% | 0.933 | 85% | 0.852 | S | S | * | * | 169.7 | 81.9 | 126.6 | -85.1 | -66.5 | 0 | 0 | 0 | 108.6 | |||||
| 7 | L | 51.4 | Low | 46.7 | Very low | 170 Ų | 170 | 163.9 Ų | 163.9 | 89% | 0.89 | 85% | 0.847 | S | S | * | * | trans | -144.9 | 73.3 | 162.1 | -100 | 164.2 | 0 | 0 | 0 | 107.3 | ||||
| 8 | S | 52 | Low | 45.9 | Very low | 128 Ų | 128 | 166.7 Ų | 166.7 | 90% | 0.895 | 85% | 0.845 | S | S | * | * | trans | -128.7 | 96.5 | 170.3 | -50.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 9 | G | 50 | Low | 45.2 | Very low | 71 Ų | 71 | 162.7 Ų | 162.7 | 73% | 0.732 | 83% | 0.834 | S | S | * | * | trans | 158.2 | 51 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 10 | L | 43 | Very low | 44.4 | Very low | 168 Ų | 168 | 159.8 Ų | 159.8 | 88% | 0.88 | 83% | 0.827 | S | S | * | * | trans | -124.6 | 101.3 | 155.1 | -74.7 | 173.8 | 0 | 0 | 0 | 106.6 | Y12 | L10-Y12 PolarHBondContact O-N 3.33Š| ||
| 11 | E | 42.3 | Very low | 43.7 | Very low | 196 Ų | 196 | 156 Ų | 156 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | -62.7 | 120 | 165.1 | -73.3 | 179.3 | 158 | 0 | 0 | 107.6 | W13 | E11-W13 PolarHBondContact O-N 3.26Š| ||
| 12 | Y | 38.2 | Very low | 42.9 | Very low | 187 Ų | 187 | 149.1 Ų | 149.1 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | -77.1 | 101.4 | -179.3 | -162.3 | -60.5 | 0 | 0 | 0 | 108 | L10 N14 | L10-Y12 PolarHBondContact O-N 3.33Å; Y12-N14 HydrophobicContact CD1-CB 3.53Å; Y12-N14 VanDerWaalsContact CD1-CG 3.47Å; Y12-N14 WeakPolarHBondContact CD1-ND2 3.01Å; Y12-N14 HydrophobicContact CE1-CB 3.57Å; Y12-N14 WeakPolarHBondContact CE1-ND2 3.25Å; Y12-N14 WeakPolarHBondContact CE1-OD1 3.34Å; Y12-N14 PolarHBondContact O-N 3.19Å; Y12-N14 VanDerWaalsContact O-N 3.1Å | ||
| 13 | W | 38.3 | Very low | 41.9 | Very low | 251 Ų | 251 | 150.7 Ų | 150.7 | 95% | 0.951 | 79% | 0.79 | S | S | * | * | trans | -79.6 | 90.2 | 167.9 | -145.4 | -15.2 | 0 | 0 | 0 | 108.4 | E11 | E11-W13 PolarHBondContact O-N 3.26Š| ||
| 14 | N | 40.9 | Very low | 41.2 | Very low | 107 Ų | 107 | 152.1 Ų | 152.1 | 57% | 0.572 | 79% | 0.788 | S | S | * | * | trans | -92.1 | 106.1 | 172.8 | -126.3 | -23 | 0 | 0 | 0 | 106.8 | Y12 | Y12-N14 HydrophobicContact CD1-CB 3.53Å; Y12-N14 VanDerWaalsContact CD1-CG 3.47Å; Y12-N14 WeakPolarHBondContact CD1-ND2 3.01Å; Y12-N14 HydrophobicContact CE1-CB 3.57Å; Y12-N14 WeakPolarHBondContact CE1-ND2 3.25Å; Y12-N14 WeakPolarHBondContact CE1-OD1 3.34Å; Y12-N14 PolarHBondContact O-N 3.19Å; Y12-N14 VanDerWaalsContact O-N 3.1Å | ||
| 15 | D | 43.8 | Very low | 39.7 | Very low | 150 Ų | 150 | 151.4 Ų | 151.4 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | 178.2 | 87.1 | 142.6 | -95.1 | -20.5 | 0 | 0 | 0 | 109.6 | ||||
| 16 | I | 43.2 | Very low | 38.5 | Very low | 157 Ų | 157 | 157.1 Ų | 157.1 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | trans | -124.9 | 95.6 | 153.3 | -57.9 | -176.2 | 0 | 0 | 0 | 107.1 | W18 | I16-W18 PolarHBondContact O-N 3.21Š| ||
| 17 | H | 35 | Very low | 37.7 | Very low | 165 Ų | 165 | 152.5 Ų | 152.5 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | -61.4 | 97.7 | 167.1 | 176.3 | -90.6 | 0 | 0 | 0 | 109.2 | S19 | H17-S19 PolarHBondContact O-N 3.32Å; H17-S19 VanDerWaalsContact O-N 3.08Å | ||
| 18 | W | 33.8 | Very low | 36.6 | Very low | 215 Ų | 215 | 149.3 Ų | 149.3 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | trans | -77 | 89.6 | 172.8 | -170.6 | -86.5 | 0 | 0 | 0 | 109.7 | I16 C20 | I16-W18 PolarHBondContact O-N 3.21Å; W18-C20 PolarHBondContact O-N 2.91Å; W18-C20 VanDerWaalsContact O-N 3.16Å | ||
| 19 | S | 31.1 | Very low | 35.7 | Very low | 91 Ų | 91 | 146.5 Ų | 146.5 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | trans | -75 | 100.2 | 166.5 | 60.2 | 0 | 0 | 0 | 0 | 109.3 | H17 A21 | H17-S19 PolarHBondContact O-N 3.32Å; H17-S19 VanDerWaalsContact O-N 3.08Å; S19-A21 PolarHBondContact O-N 2.91Å | ||
| 20 | C | 30.1 | Very low | 34.8 | Very low | 103 Ų | 103 | 153 Ų | 153 | 70% | 0.696 | 79% | 0.791 | S | S | * | * | trans | -75.9 | 97.4 | 167.4 | -168.2 | 0 | 0 | 0 | 0 | 108.7 | W18 S22 | W18-C20 PolarHBondContact O-N 2.91Å; W18-C20 VanDerWaalsContact O-N 3.16Å; C20-S22 PolarHBondContact O-N 3.02Å | ||
| 21 | A | 29.6 | Very low | 34.3 | Very low | 80 Ų | 80 | 154.5 Ų | 154.5 | 66% | 0.661 | 79% | 0.791 | S | S | * | * | trans | -74.9 | 103 | 167 | 0 | 0 | 0 | 0 | 0 | 108.3 | S19 Y23 | S19-A21 PolarHBondContact O-N 2.91Å; A21-Y23 PolarHBondContact O-N 2.72Å | ||
| 22 | S | 33.9 | Very low | 33.8 | Very low | 93 Ų | 93 | 153.7 Ų | 153.7 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | trans | -70 | 115.2 | 168.6 | 73.7 | 0 | 0 | 0 | 0 | 109.1 | C20 N24 | C20-S22 PolarHBondContact O-N 3.02Å; S22-N24 PolarHBondContact O-N 2.73Å | ||
| 23 | Y | 29.7 | Very low | 33.3 | Very low | 211 Ų | 211 | 153 Ų | 153 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | -83.3 | 97.6 | 161.2 | -90.1 | -90.6 | 0 | 0 | 0 | 108.3 | A21 | A21-Y23 PolarHBondContact O-N 2.72Š| ||
| 24 | N | 31.1 | Very low | 32.9 | Very low | 151 Ų | 151 | 148.3 Ų | 148.3 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | trans | -95.8 | 117.1 | 151.9 | -81.2 | -46.3 | 0 | 0 | 0 | 105.9 | S22 | S22-N24 PolarHBondContact O-N 2.73Š| ||
| 25 | E | 30.1 | Very low | 32.5 | Very low | 184 Ų | 184 | 148.6 Ų | 148.6 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -113.8 | 117.4 | 165.1 | -163.6 | 163.4 | -167.7 | 0 | 0 | 109 | ||||
| 26 | Q | 30.1 | Very low | 31.8 | Very low | 184 Ų | 184 | 148.4 Ų | 148.4 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -96.3 | 131.7 | -178.7 | -158.8 | 172 | 22.7 | 0 | 0 | 108.3 | ||||
| 27 | V | 33.1 | Very low | 31.2 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -7.3 | 122.9 | 156 | 179.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 28 | A | 30 | Very low | 31 | Very low | 103 Ų | 103 | 145.7 Ų | 145.7 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -151.4 | 128.8 | 143.1 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 29 | G | 31.5 | Very low | 30.8 | Very low | 70 Ų | 70 | 140.2 Ų | 140.2 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | cis | 127.6 | 82.8 | 19.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 30 | E | 31.6 | Very low | 30.7 | Very low | 206 Ų | 206 | 141.3 Ų | 141.3 | 96% | 0.963 | 80% | 0.795 | S | S | * | * | trans | -138.3 | 137.3 | 165.6 | -72 | -165.7 | 160.5 | 0 | 0 | 111 | ||||
| 31 | K | 32.5 | Very low | 30.8 | Very low | 200 Ų | 200 | 143.8 Ų | 143.8 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | trans | -87.2 | 149.5 | -175.7 | -70.3 | 174.5 | 170.1 | 178.7 | 0 | 110.7 | ||||
| 32 | E | 31.3 | Very low | 30.8 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | -176.4 | 116.2 | 128.6 | -100.7 | 172 | -177.8 | 0 | 0 | 106.4 | |||||
| 33 | E | 29.1 | Very low | 30.7 | Very low | 173 Ų | 173 | 152 Ų | 152 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | 49.1 | 129.4 | 103.3 | -96.3 | -174.6 | 174.9 | 0 | 0 | 113 | |||||
| 34 | E | 29.6 | Very low | 30.7 | Very low | 152 Ų | 152 | 147.2 Ų | 147.2 | 71% | 0.71 | 82% | 0.818 | S | S | * | * | cis | -171.5 | 175.3 | 7.6 | -160.8 | -176.1 | -178.6 | 0 | 0 | 105.3 | ||||
| 35 | T | 31.5 | Very low | 30.7 | Very low | 114 Ų | 114 | 144.9 Ų | 144.9 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | trans | 99.1 | 85.4 | 162.9 | 76.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 36 | N | 30.5 | Very low | 30.8 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | 30.3 | 115.5 | 119.1 | -60 | -31.6 | 0 | 0 | 0 | 118 | |||||
| 37 | S | 29.7 | Very low | 30.8 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | -169 | 122.6 | 113.8 | -82.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 38 | V | 30.7 | Very low | 30.8 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | trans | -71.3 | 127.9 | 163.7 | 167.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 39 | A | 30.3 | Very low | 31.2 | Very low | 101 Ų | 101 | 142.4 Ų | 142.4 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -152.6 | 108.6 | 156 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 40 | T | 28.4 | Very low | 31.2 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 69% | 0.693 | 80% | 0.799 | S | S | * | * | trans | -69.2 | 147 | 171.2 | -49.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 41 | L | 33.4 | Very low | 31.2 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | 54.8 | 119.9 | 156.4 | -78.4 | 159.7 | 0 | 0 | 0 | 118.9 | ||||
| 42 | S | 28.3 | Very low | 31.3 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -158.2 | 132.5 | 131.3 | -132.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 43 | Y | 32.2 | Very low | 31.3 | Very low | 222 Ų | 222 | 141 Ų | 141 | 87% | 0.871 | 79% | 0.787 | S | S | * | * | trans | -104.3 | 124.1 | 179.5 | -143.1 | -93.2 | 0 | 0 | 0 | 106.7 | ||||
| 44 | S | 30.1 | Very low | 31.6 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -163.3 | 113.2 | 159.7 | 67 | 0 | 0 | 0 | 0 | 108 | ||||
| 45 | S | 31.2 | Very low | 31.7 | Very low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | 75.1 | 109 | 60.3 | -170.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 46 | V | 31.9 | Very low | 31.9 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | 68.1 | 112.9 | 157 | -168.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 47 | D | 30 | Very low | 32 | Very low | 152 Ų | 152 | 141 Ų | 141 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | -156.3 | 138.9 | 111.5 | -151.6 | 6.8 | 0 | 0 | 0 | 112.9 | |||||
| 48 | E | 33.7 | Very low | 32.2 | Very low | 135 Ų | 135 | 141 Ų | 141 | 63% | 0.631 | 79% | 0.789 | S | S | * | * | trans | -75 | 135.1 | 175.5 | -77.6 | -176.4 | 102.7 | 0 | 0 | 110.6 | Q50 | E48-Q50 PolarHBondContact OE1-NE2 2.93Š| ||
| 49 | T | 38.4 | Very low | 32.4 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -144.3 | 108.6 | 140.4 | 42.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 50 | Q | 31.5 | Very low | 32.8 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -76.6 | 127.9 | 171.1 | -61.7 | 173.2 | 30.5 | 0 | 0 | 110.1 | E48 | E48-Q50 PolarHBondContact OE1-NE2 2.93Š| ||
| 51 | V | 31.9 | Very low | 33.4 | Very low | 141 Ų | 141 | 145 Ų | 145 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -142.9 | 90 | 148.9 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 52 | R | 33.3 | Very low | 33.4 | Very low | 223 Ų | 223 | 141.3 Ų | 141.3 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | 51.5 | 86.4 | 129.6 | -130.4 | 173.6 | -168.6 | 177.6 | 2.8 | 119.3 | |||||
| 53 | S | 32.1 | Very low | 34.1 | Very low | 103 Ų | 103 | 145.2 Ų | 145.2 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -84.8 | 124 | 155 | 163.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 54 | L | 34.4 | Very low | 34.5 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -100.1 | 90.8 | 170.1 | -76.3 | 174.7 | 0 | 0 | 0 | 109.3 | ||||
| 55 | Y | 33.3 | Very low | 34.8 | Very low | 212 Ų | 212 | 147.6 Ų | 147.6 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | trans | -86.7 | 117.8 | 165.2 | -121.7 | -97.8 | 0 | 0 | 0 | 108.8 | ||||
| 56 | V | 34.5 | Very low | 35.2 | Very low | 125 Ų | 125 | 147.9 Ų | 147.9 | 76% | 0.758 | 81% | 0.809 | S | S | * | * | trans | -95.1 | 109.4 | 167.6 | 175 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 57 | S | 31.8 | Very low | 35.2 | Very low | 93 Ų | 93 | 147 Ų | 147 | 65% | 0.65 | 81% | 0.808 | S | S | * | * | trans | -86.7 | 117.4 | 169.5 | 74 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 58 | C | 34.4 | Very low | 35.5 | Very low | 125 Ų | 125 | 146 Ų | 146 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -91 | 103.7 | 164.9 | -73.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 59 | K | 36.3 | Very low | 35.5 | Very low | 193 Ų | 193 | 148.1 Ų | 148.1 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | trans | -85.7 | 127.6 | 162.4 | -70.9 | -179.7 | 174.1 | 178 | 0 | 108.1 | ||||
| 60 | S | 38.1 | Very low | 35.3 | Very low | 120 Ų | 120 | 146 Ų | 146 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -134.2 | 101.9 | 156.9 | 66.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 61 | S | 40.6 | Very low | 35.5 | Very low | 124 Ų | 124 | 149.9 Ų | 149.9 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | -83.3 | 127.5 | 161.5 | 52.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 62 | G | 34.3 | Very low | 35.4 | Very low | 78 Ų | 78 | 150.8 Ų | 150.8 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -163.4 | 112.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 63 | K | 41.9 | Very low | 35.3 | Very low | 208 Ų | 208 | 145 Ų | 145 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | trans | -75.4 | 150.9 | -170.9 | -62.6 | 168.9 | 177.9 | 178.3 | 0 | 111.8 | ||||
| 64 | F | 40.3 | Very low | 35.4 | Very low | 206 Ų | 206 | 147.9 Ų | 147.9 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | trans | -55.3 | 143.4 | 166 | -66.2 | -90.9 | 0 | 0 | 0 | 112.5 | ||||
| 65 | L | 37.7 | Very low | 35.2 | Very low | 174 Ų | 174 | 148.9 Ų | 148.9 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -157.7 | 145.2 | 138.6 | -87.4 | -176 | 0 | 0 | 0 | 110.4 | ||||
| 66 | S | 39.5 | Very low | 35.1 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -74.4 | 159 | -178.1 | 49.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 67 | S | 32.2 | Very low | 35 | Very low | 107 Ų | 107 | 149.7 Ų | 149.7 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | -160.1 | 112.6 | 146.1 | -176 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 68 | V | 34.8 | Very low | 34.9 | Very low | 133 Ų | 133 | 150.3 Ų | 150.3 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | trans | -78.9 | 125.7 | 159.6 | 168.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 69 | H | 33.5 | Very low | 34.8 | Very low | 178 Ų | 178 | 153.3 Ų | 153.3 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | trans | -142.5 | 111.5 | 154.2 | -104.8 | -50.9 | 0 | 0 | 0 | 111.4 | ||||
| 70 | S | 35.6 | Very low | 34.7 | Very low | 100 Ų | 100 | 154.9 Ų | 154.9 | 70% | 0.699 | 82% | 0.818 | S | S | * | * | trans | -59.9 | 137.3 | 156.9 | 164.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 71 | R | 35.9 | Very low | 34.4 | Very low | 240 Ų | 240 | 154.9 Ų | 154.9 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | trans | -148.4 | 114.2 | 149.6 | -158.9 | 172.7 | 173.1 | -154.5 | -3.4 | 111.1 | ||||
| 72 | E | 28.5 | Very low | 34.2 | Very low | 160 Ų | 160 | 154.4 Ų | 154.4 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -78.1 | 163.2 | 170.1 | 175.4 | 134 | -155.6 | 0 | 0 | 112.1 | ||||
| 73 | S | 31.7 | Very low | 34 | Very low | 100 Ų | 100 | 156.2 Ų | 156.2 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | 102.4 | 140 | 162.6 | 77.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 74 | Q | 34.4 | Very low | 33.8 | Very low | 164 Ų | 164 | 153.5 Ų | 153.5 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | cis | -175.2 | 147.7 | -23.8 | -114.2 | -169.2 | 14.6 | 0 | 0 | 105 | ||||
| 75 | H | 30 | Very low | 33.5 | Very low | 176 Ų | 176 | 152.1 Ų | 152.1 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | trans | 69.8 | 108.7 | 151.8 | -101.4 | 53.2 | 0 | 0 | 0 | 122.1 | ||||
| 76 | S | 31.9 | Very low | 33.4 | Very low | 114 Ų | 114 | 149.6 Ų | 149.6 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | -174 | 112.7 | 115.6 | 55.1 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 77 | R | 31 | Very low | 33.2 | Very low | 240 Ų | 240 | 151.6 Ų | 151.6 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | 107.1 | 88.5 | 91.9 | -170.5 | 177.7 | -174.3 | 174.5 | 1.9 | 111.1 | |||||
| 78 | S | 30 | Very low | 33.7 | Very low | 106 Ų | 106 | 151.9 Ų | 151.9 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | 20.6 | 118 | 141 | -153.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 79 | Q | 32.6 | Very low | 33.7 | Very low | 188 Ų | 188 | 152.7 Ų | 152.7 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | -152 | 104.5 | 127.7 | -120.1 | 171.8 | 8.9 | 0 | 0 | 109.9 | |||||
| 80 | R | 33.4 | Very low | 34.2 | Very low | 226 Ų | 226 | 149 Ų | 149 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -86.5 | 122.2 | 162.9 | -59.1 | -173.4 | -155.8 | -177.1 | 5.8 | 106.9 | ||||
| 81 | V | 33 | Very low | 34.4 | Very low | 120 Ų | 120 | 150.6 Ų | 150.6 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -111.6 | 98.4 | 160.5 | 175.1 | 0 | 0 | 0 | 0 | 106.5 | V83 | V81-V83 HydrophobicContact CG1-CG2 3.97Š| ||
| 82 | T | 35.8 | Very low | 34.5 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -79 | 112.5 | 165.7 | -46.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 83 | V | 30.9 | Very low | 35 | Very low | 116 Ų | 116 | 149.6 Ų | 149.6 | 70% | 0.703 | 78% | 0.784 | S | S | * | * | trans | -103 | 98.8 | 161.1 | 177.4 | 0 | 0 | 0 | 0 | 107 | V81 Q85 | V81-V83 HydrophobicContact CG1-CG2 3.97Å; V83-Q85 PolarHBondContact O-N 3.21Å | ||
| 84 | L | 37.2 | Very low | 35.2 | Very low | 150 Ų | 150 | 149.7 Ų | 149.7 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -61.8 | 115.8 | 155.9 | -86.1 | 146.9 | 0 | 0 | 0 | 107.2 | ||||
| 85 | Q | 34.4 | Very low | 35.4 | Very low | 178 Ų | 178 | 146.8 Ų | 146.8 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -118.2 | 97.3 | 160 | -153.3 | 171.4 | 8.9 | 0 | 0 | 108.5 | V83 | V83-Q85 PolarHBondContact O-N 3.21Š| ||
| 86 | T | 34.1 | Very low | 36.2 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -59.4 | 126.9 | 165.8 | 44.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 87 | N | 35.3 | Very low | 36.5 | Very low | 152 Ų | 152 | 148.3 Ų | 148.3 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -129.4 | 115.7 | 160.2 | -140.2 | -30.7 | 0 | 0 | 0 | 107.2 | N89 | N87-N89 PolarHBondContact O-N 3.16Š| ||
| 88 | P | 43.6 | Very low | 36.8 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | trans | -77 | 114.6 | 179.5 | 30.2 | -29.1 | 0 | 0 | 0 | 108.4 | ||||
| 89 | N | 35.6 | Very low | 37.2 | Very low | 150 Ų | 150 | 141 Ų | 141 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -69.7 | 126.1 | 169.4 | -144.4 | -6.1 | 0 | 0 | 0 | 107.7 | N87 V91 | N87-N89 PolarHBondContact O-N 3.16Å; N89-V91 PolarHBondContact O-N 3.16Å; N89-V91 VanDerWaalsContact O-N 3.16Å | ||
| 90 | P | 43.6 | Very low | 37.6 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | trans | -66.5 | 118.8 | 177.6 | 25.4 | -31.1 | 0 | 0 | 0 | 109.6 | F92 | P90-F92 PolarHBondContact O-N 3.2Š| ||
| 91 | V | 39.2 | Very low | 38.1 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | -59.8 | 115.1 | 166.1 | 174.1 | 0 | 0 | 0 | 0 | 107.3 | N89 E93 | N89-V91 PolarHBondContact O-N 3.16Å; N89-V91 VanDerWaalsContact O-N 3.16Å; V91-E93 PolarHBondContact O-N 3.29Å; V91-E93 VanDerWaalsContact O-N 3.13Å | ||
| 92 | F | 37.5 | Very low | 38.4 | Very low | 203 Ų | 203 | 136.8 Ų | 136.8 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | -73.7 | 100.1 | 165.3 | -106 | -91.1 | 0 | 0 | 0 | 107.8 | P90 S94 | P90-F92 PolarHBondContact O-N 3.2Å; F92-S94 PolarHBondContact O-N 3.14Å | ||
| 93 | E | 38.8 | Very low | 38.5 | Very low | 176 Ų | 176 | 136.7 Ų | 136.7 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 119.2 | 160.1 | -100.8 | 177.9 | 154.9 | 0 | 0 | 108.6 | V91 P95 | V91-E93 PolarHBondContact O-N 3.29Å; V91-E93 VanDerWaalsContact O-N 3.13Å; E93-P95 WeakPolarHBondContact O-CD 3.29Å |
| 94 | S | 36.8 | Very low | 39 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 117.6 | 166.3 | 122.9 | 0 | 0 | 0 | 0 | 107.6 | F92 N96 | F92-S94 PolarHBondContact O-N 3.14Å; S94-N96 PolarHBondContact O-N 2.96Å |
| 95 | P | 38.2 | Very low | 39 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 120.5 | 170.8 | 25.5 | -28.9 | 0 | 0 | 0 | 109.2 | E93 L97 | E93-P95 WeakPolarHBondContact O-CD 3.29Å; P95-L97 PolarHBondContact O-N 3.17Å |
| 96 | N | 46.6 | Very low | 39.5 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -52.9 | 107.9 | 161 | -85.8 | -74.5 | 0 | 0 | 0 | 108.5 | S94 | S94-N96 PolarHBondContact O-N 2.96Š| ||
| 97 | L | 39.5 | Very low | 40.2 | Very low | 157 Ų | 157 | 134.1 Ų | 134.1 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | -121.1 | 124.6 | 165.3 | -75.7 | 175.5 | 0 | 0 | 0 | 109.5 | P95 | P95-L97 PolarHBondContact O-N 3.17Š| ||
| 98 | A | 35.8 | Very low | 40.9 | Very low | 89 Ų | 89 | 134.9 Ų | 134.9 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | -19.9 | 131.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | V100 | A98-V100 PolarHBondContact O-N 3.49Š| ||
| 99 | A | 39.3 | Very low | 41.3 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | trans | -47.6 | 106 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | E101 | A99-E101 PolarHBondContact O-N 2.69Š| ||
| 100 | V | 39.9 | Very low | 42.2 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 75% | 0.745 | 74% | 0.742 | S | S | * | * | trans | -75.1 | 104.5 | 157.6 | 178.2 | 0 | 0 | 0 | 0 | 105 | A98 I102 | A98-V100 PolarHBondContact O-N 3.49Å; V100-I102 HydrophobicContact CG1-CG1 4.1Å; V100-I102 PolarHBondContact O-N 2.8Å | ||
| 101 | E | 45.2 | Very low | 42.7 | Very low | 178 Ų | 178 | 134.9 Ų | 134.9 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | trans | -60.7 | 87.2 | 169 | -172.4 | 167.6 | -170.4 | 0 | 0 | 108.4 | A99 C103 | A99-E101 PolarHBondContact O-N 2.69Å; E101-C103 PolarHBondContact O-N 3.03Å | ||
| 102 | I | 38.8 | Very low | 43.8 | Very low | 146 Ų | 146 | 136 Ų | 136 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | trans | -75.6 | 107.1 | 168.7 | -59.7 | 177.2 | 0 | 0 | 0 | 105.6 | V100 R104 | V100-I102 HydrophobicContact CG1-CG1 4.1Å; V100-I102 PolarHBondContact O-N 2.8Å; I102-R104 PolarHBondContact O-N 2.93Å | ||
| 103 | C | 37.9 | Very low | 44.8 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 76% | 0.757 | 70% | 0.702 | S | S | * | * | trans | -44.6 | 113 | 171.3 | -63.9 | 0 | 0 | 0 | 0 | 109.6 | E101 D105 | E101-C103 PolarHBondContact O-N 3.03Å; C103-D105 VanDerWaalsContact C-N 3.25Å; C103-D105 PolarHBondContact O-N 3.44Å | ||
| 104 | R | 41.9 | Very low | 46.2 | Very low | 235 Ų | 235 | 123.6 Ų | 123.6 | 89% | 0.887 | 69% | 0.69 | S | S | * | * | trans | -70 | 86 | 173.5 | -168.5 | -176.1 | -131.9 | 174 | 4.1 | 107.8 | I102 A106 | I102-R104 PolarHBondContact O-N 2.93Å; R104-A106 PolarHBondContact O-N 3.13Å | ||
| 105 | D | 35.9 | Very low | 47.5 | Very low | 87 Ų | 87 | 123.4 Ų | 123.4 | 47% | 0.465 | 69% | 0.689 | S | S | . | * | trans | -68.7 | 104.4 | 167.1 | -161.7 | -22.7 | 0 | 0 | 0 | 107.8 | C103 S107 R108 | C103-D105 VanDerWaalsContact C-N 3.25Å; C103-D105 PolarHBondContact O-N 3.44Å; D105-S107 PolarHBondContact O-N 3.1Å; D105-S107 PolarHBondContact OD1-OG 3.42Å; D105-R108 IonicContact OD1-NH1 3.92Å; D105-R108 IonicContact OD2-CZ 3.37Å; D105-R108 IonicContact OD2-NH1 2.93Å; D105-R108 PolarHBondContact OD2-NH1 3.46Å; D105-R108 IonicContact OD2-NH2 2.82Å; D105-R108 PolarHBondContact OD2-NH2 3Å | ||
| 106 | A | 46.7 | Very low | 48.8 | Very low | 98 Ų | 98 | 122.9 Ų | 122.9 | 81% | 0.81 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 19.1 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114 | R104 | R104-A106 PolarHBondContact O-N 3.13Š|
| 107 | S | 48.7 | Very low | 49.4 | Very low | 90 Ų | 90 | 117.3 Ų | 117.3 | 63% | 0.629 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.8 | 5.2 | -158.7 | 69.2 | 0 | 0 | 0 | 0 | 117.7 | D105 | D105-S107 PolarHBondContact O-N 3.1Å; D105-S107 PolarHBondContact OD1-OG 3.42Å |
| 108 | R | 48.6 | Very low | 50.8 | Low | 168 Ų | 168 | 114.7 Ų | 114.7 | 63% | 0.634 | 64% | 0.643 | S | S | * | * | trans | -134.7 | 110.2 | 178.6 | 23.8 | -174.7 | -162.1 | -84.5 | -9.2 | 112.8 | D105 T110 | D105-R108 IonicContact OD1-NH1 3.92Å; D105-R108 IonicContact OD2-CZ 3.37Å; D105-R108 IonicContact OD2-NH1 2.93Å; D105-R108 PolarHBondContact OD2-NH1 3.46Å; D105-R108 IonicContact OD2-NH2 2.82Å; D105-R108 PolarHBondContact OD2-NH2 3Å; R108-T110 PolarHBondContact O-N 2.63Å; R108-T110 PolarHBondContact O-OG1 3.05Å; R108-T110 VanDerWaalsContact O-OG1 3.05Å | ||
| 109 | E | 52.9 | Low | 52.5 | Low | 150 Ų | 150 | 114.5 Ų | 114.5 | 70% | 0.701 | 64% | 0.636 | S | S | * | * | trans | -59.5 | 97.6 | 178.8 | -73.6 | 169.6 | 130.7 | 0 | 0 | 110 | Y111 K118 | E109-Y111 PolarHBondContact O-N 2.92Å; E109-K118 IonicContact OE1-NZ 3.93Å; E109-K118 PolarHBondContact OE1-NZ 3.08Å | ||
| 110 | T | 54.9 | Low | 53.8 | Low | 86 Ų | 86 | 114.3 Ų | 114.3 | 53% | 0.528 | 62% | 0.62 | S | S | . | * | trans | -91 | 35.9 | 178.5 | -47.4 | 0 | 0 | 0 | 0 | 110.2 | R108 | R108-T110 PolarHBondContact O-N 2.63Å; R108-T110 PolarHBondContact O-OG1 3.05Å; R108-T110 VanDerWaalsContact O-OG1 3.05Å | ||
| 111 | Y | 54.6 | Low | 55 | Low | 128 Ų | 128 | 109.3 Ų | 109.3 | 50% | 0.502 | 59% | 0.59 | S | S | . | * | B | Isolated β-bridge | trans | -127.9 | 113.7 | -171 | -55 | -77.1 | 0 | 0 | 0 | 110.3 | E109 V113 | E109-Y111 PolarHBondContact O-N 2.92Å; Y111-V113 PolarHBondContact O-N 3Å |
| 112 | L | 60.8 | Low | 56.1 | Low | 156 Ų | 156 | 108.8 Ų | 108.8 | 82% | 0.817 | 59% | 0.585 | S | S | * | * | trans | -78.1 | 42.8 | 165.4 | -68.1 | 171.6 | 0 | 0 | 0 | 110.7 | ||||
| 113 | V | 59.2 | Low | 57.5 | Low | 32 Ų | 32 | 108 Ų | 108 | 19% | 0.194 | 58% | 0.582 | C | S | . | * | trans | -108.2 | 119.7 | 178.8 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | Y111 S115 C117 | Y111-V113 PolarHBondContact O-N 3Å; V113-S115 PolarHBondContact O-N 2.87Å; V113-C117 HydrophobicContact CG1-CB 3.7Å | ||
| 114 | P | 67.3 | Low | 58.7 | Low | 87 Ų | 87 | 108.8 Ų | 108.8 | 57% | 0.565 | 57% | 0.57 | S | S | * | * | trans | -48.5 | 139.8 | 173.1 | -27.9 | 34.9 | 0 | 0 | 0 | 111.1 | S116 C117 | P114-S116 PolarHBondContact O-N 3.3Å; P114-C117 PolarHBondContact O-N 3.44Å | ||
| 115 | S | 65.4 | Low | 59.7 | Low | 100 Ų | 100 | 103.3 Ų | 103.3 | 70% | 0.699 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -55.9 | -29 | -173.6 | 53.1 | 0 | 0 | 0 | 0 | 113.6 | V113 C117 K118 | V113-S115 PolarHBondContact O-N 2.87Å; S115-C117 PolarHBondContact O-N 2.88Å; S115-K118 PolarHBondContact O-N 3.02Å |
| 116 | S | 64.6 | Low | 61.1 | Low | 92 Ų | 92 | 105.3 Ų | 105.3 | 64% | 0.643 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -63.2 | -22.7 | 174.5 | 54.3 | 0 | 0 | 0 | 0 | 114.5 | P114 | P114-S116 PolarHBondContact O-N 3.3Š|
| 117 | C | 59.6 | Low | 61.9 | Low | 46 Ų | 46 | 104.8 Ų | 104.8 | 31% | 0.311 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -104.9 | -0.1 | -174.1 | -59.4 | 0 | 0 | 0 | 0 | 113.3 | V113 P114 S115 S119 I120 C121 | V113-C117 HydrophobicContact CG1-CB 3.7Å; P114-C117 PolarHBondContact O-N 3.44Å; S115-C117 PolarHBondContact O-N 2.88Å; C117-S119 VanDerWaalsContact C-N 3.26Å; C117-S119 PolarHBondContact O-N 3.12Å; C117-I120 PolarHBondContact O-N 2.75Å; C117-C121 PolarHBondContact O-N 2.62Å; C117-C121 PolarHBondContact O-SG 3.26Å |
| 118 | K | 69.3 | Low | 62.4 | Low | 102 Ų | 102 | 103.3 Ų | 103.3 | 44% | 0.443 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58 | -34.4 | 179.9 | -77.4 | -178 | 173.3 | -178 | 0 | 113.3 | E109 S115 K122 | E109-K118 IonicContact OE1-NZ 3.93Å; E109-K118 PolarHBondContact OE1-NZ 3.08Å; S115-K118 PolarHBondContact O-N 3.02Å; K118-K122 PolarHBondContact O-N 3.42Å |
| 119 | S | 70.3 | Confident | 62.9 | Low | 86 Ų | 86 | 101.9 Ų | 101.9 | 60% | 0.601 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.9 | -35.2 | -179.7 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | C117 K122 | C117-S119 VanDerWaalsContact C-N 3.26Å; C117-S119 PolarHBondContact O-N 3.12Å; S119-K122 WeakPolarHBondContact O-CB 3.49Å |
| 120 | I | 68.2 | Low | 63.2 | Low | 98 Ų | 98 | 98.7 Ų | 98.7 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -73 | -43.2 | -179.9 | -59.3 | 170.8 | 0 | 0 | 0 | 109.5 | C117 K122 N123 Y124 | C117-I120 PolarHBondContact O-N 2.75Å; I120-K122 PolarHBondContact O-N 3.41Å; I120-K122 VanDerWaalsContact O-N 3.15Å; I120-N123 PolarHBondContact O-N 2.59Å; I120-Y124 WeakPolarHBondContact O-CD2 3.28Å |
| 121 | C | 64.9 | Low | 63.1 | Low | 18 Ų | 18 | 95.8 Ų | 95.8 | 12% | 0.122 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -65.4 | -17.3 | 178.6 | -61.8 | 0 | 0 | 0 | 0 | 113.4 | C117 N123 Y124 H128 | C117-C121 PolarHBondContact O-N 2.62Å; C117-C121 PolarHBondContact O-SG 3.26Å; C121-N123 PolarHBondContact O-N 2.89Å; C121-Y124 PolarHBondContact O-N 2.92Å; C121-H128 PolarHBondContact O-NE2 2.82Å |
| 122 | K | 66.8 | Low | 63 | Low | 168 Ų | 168 | 92.7 Ų | 92.7 | 73% | 0.73 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -30.7 | 178.9 | -169 | 178 | 178.2 | -177.7 | 0 | 113.6 | K118 S119 I120 | K118-K122 PolarHBondContact O-N 3.42Å; S119-K122 WeakPolarHBondContact O-CB 3.49Å; I120-K122 PolarHBondContact O-N 3.41Å; I120-K122 VanDerWaalsContact O-N 3.15Å |
| 123 | N | 69.6 | Low | 62.4 | Low | 129 Ų | 129 | 93.5 Ų | 93.5 | 69% | 0.69 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -5.5 | -176.1 | -63.1 | -31.4 | 0 | 0 | 0 | 113.5 | I120 C121 | I120-N123 PolarHBondContact O-N 2.59Å; C121-N123 PolarHBondContact O-N 2.89Å |
| 124 | Y | 63 | Low | 61.9 | Low | 129 Ų | 129 | 98.3 Ų | 98.3 | 51% | 0.506 | 56% | 0.561 | S | S | . | * | trans | -130.3 | 86.8 | -173.9 | -68.7 | -81.4 | 0 | 0 | 0 | 108.9 | I120 C121 D126 L127 H128 | I120-Y124 WeakPolarHBondContact O-CD2 3.28Å; C121-Y124 PolarHBondContact O-N 2.92Å; Y124-D126 VanDerWaalsContact C-OD1 3.27Å; Y124-D126 WeakPolarHBondContact CA-OD1 3.17Å; Y124-D126 WeakPolarHBondContact CB-OD1 3.35Å; Y124-D126 PolarHBondContact O-N 3.19Å; Y124-L127 HydrophobicContact CD2-CD1 4.45Å; Y124-L127 HydrophobicContact CG-CD1 4.03Å; Y124-L127 PolarHBondContact O-N 3.39Å; Y124-H128 PolarHBondContact O-CD2 3.04Å | ||
| 125 | N | 61.7 | Low | 60.8 | Low | 120 Ų | 120 | 101.3 Ų | 101.3 | 64% | 0.642 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -68.7 | -20.1 | 179.7 | -66.6 | -47.3 | 0 | 0 | 0 | 112.4 | L127 H128 | N125-L127 VanDerWaalsContact C-N 3.3Å; N125-H128 VanDerWaalsContact O-CB 3.32Å; N125-H128 WeakPolarHBondContact O-CB 3.45Å; N125-H128 PolarHBondContact O-N 3.44Å; N125-H128 PolarHBondContact OD1-CE1 3.45Å |
| 126 | D | 66.6 | Low | 59.9 | Low | 129 Ų | 129 | 100.5 Ų | 100.5 | 69% | 0.69 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -70.3 | -25.8 | 172.5 | 59.9 | -40 | 0 | 0 | 0 | 112.8 | Y124 H128 | Y124-D126 VanDerWaalsContact C-OD1 3.27Å; Y124-D126 WeakPolarHBondContact CA-OD1 3.17Å; Y124-D126 WeakPolarHBondContact CB-OD1 3.35Å; Y124-D126 PolarHBondContact O-N 3.19Å; D126-H128 PolarHBondContact O-N 3.45Å |
| 127 | L | 62.6 | Low | 59.2 | Low | 86 Ų | 86 | 104.5 Ų | 104.5 | 45% | 0.45 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -81.8 | -2.8 | 172.7 | -60.8 | 179.4 | 0 | 0 | 0 | 112.8 | Y124 N125 I129 | Y124-L127 HydrophobicContact CD2-CD1 4.45Å; Y124-L127 HydrophobicContact CG-CD1 4.03Å; Y124-L127 PolarHBondContact O-N 3.39Å; N125-L127 VanDerWaalsContact C-N 3.3Å; L127-I129 VanDerWaalsContact C-N 3.29Å; L127-I129 PolarHBondContact O-N 2.91Å |
| 128 | H | 59.8 | Low | 58.4 | Low | 59 Ų | 59 | 107 Ų | 107 | 27% | 0.273 | 60% | 0.599 | S | S | . | * | trans | -76.6 | 88 | 172.2 | -63.1 | -179.9 | 0 | 0 | 0 | 107.9 | C121 Y124 N125 D126 A130 | C121-H128 PolarHBondContact O-NE2 2.82Å; Y124-H128 PolarHBondContact O-CD2 3.04Å; N125-H128 VanDerWaalsContact O-CB 3.32Å; N125-H128 WeakPolarHBondContact O-CB 3.45Å; N125-H128 PolarHBondContact O-N 3.44Å; N125-H128 PolarHBondContact OD1-CE1 3.45Å; D126-H128 PolarHBondContact O-N 3.45Å; H128-A130 VanDerWaalsContact C-N 3.25Å; H128-A130 PolarHBondContact O-N 2.7Å | ||
| 129 | I | 59.8 | Low | 57.4 | Low | 138 Ų | 138 | 107.8 Ų | 107.8 | 71% | 0.708 | 62% | 0.617 | S | S | * | * | trans | -68.5 | 96.1 | 163.6 | -54.9 | -179.8 | 0 | 0 | 0 | 105.7 | L127 G131 | L127-I129 VanDerWaalsContact C-N 3.29Å; L127-I129 PolarHBondContact O-N 2.91Å; I129-G131 PolarHBondContact O-N 3.28Å | ||
| 130 | A | 58.2 | Low | 55.9 | Low | 83 Ų | 83 | 109.5 Ų | 109.5 | 69% | 0.686 | 62% | 0.624 | S | S | * | * | B | Isolated β-bridge | trans | -62.6 | 93.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | H128 G132 | H128-A130 VanDerWaalsContact C-N 3.25Å; H128-A130 PolarHBondContact O-N 2.7Å; A130-G132 PolarHBondContact O-N 3.22Å |
| 131 | G | 52.9 | Low | 55.1 | Low | 25 Ų | 25 | 111.3 Ų | 111.3 | 26% | 0.258 | 64% | 0.64 | S | S | . | * | trans | -60 | 103.7 | 171 | 0 | 0 | 0 | 0 | 0 | 107.1 | I129 Q133 | I129-G131 PolarHBondContact O-N 3.28Å; G131-Q133 PolarHBondContact O-N 3Å | ||
| 132 | G | 53 | Low | 54 | Low | 63 Ų | 63 | 116.2 Ų | 116.2 | 65% | 0.649 | 67% | 0.669 | S | S | * | * | trans | -51.5 | 125.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | A130 V134 | A130-G132 PolarHBondContact O-N 3.22Å; G132-V134 PolarHBondContact O-N 3.21Å | ||
| 133 | Q | 47.9 | Very low | 52.7 | Low | 174 Ų | 174 | 115.2 Ų | 115.2 | 81% | 0.813 | 67% | 0.672 | S | S | * | * | trans | -41.1 | 98.7 | -171.6 | -173.7 | 171.4 | 18.8 | 0 | 0 | 112.2 | G131 M135 | G131-Q133 PolarHBondContact O-N 3Å; Q133-M135 HydrophobicContact CG-CG 4.31Å; Q133-M135 PolarHBondContact O-N 2.68Å | ||
| 134 | V | 48.3 | Very low | 51.2 | Low | 132 Ų | 132 | 119 Ų | 119 | 80% | 0.8 | 68% | 0.683 | S | S | * | * | trans | -84.2 | 97.5 | 163 | -175.7 | 0 | 0 | 0 | 0 | 104.9 | G132 A136 | G132-V134 PolarHBondContact O-N 3.21Å; V134-A136 PolarHBondContact O-N 3.41Å; V134-A136 VanDerWaalsContact O-N 3.13Å | ||
| 135 | M | 45.1 | Very low | 50.2 | Low | 151 Ų | 151 | 118.7 Ų | 118.7 | 74% | 0.744 | 70% | 0.696 | S | S | * | * | trans | -55.6 | 121 | 169.6 | -81.8 | -163.4 | -65.6 | 0 | 0 | 108 | Q133 I137 | Q133-M135 HydrophobicContact CG-CG 4.31Å; Q133-M135 PolarHBondContact O-N 2.68Å; M135-I137 PolarHBondContact O-N 3.16Å | ||
| 136 | A | 46.4 | Very low | 49.2 | Very low | 82 Ų | 82 | 118 Ų | 118 | 68% | 0.678 | 70% | 0.701 | S | S | * | * | trans | -59 | 124.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | V134 S138 | V134-A136 PolarHBondContact O-N 3.41Å; V134-A136 VanDerWaalsContact O-N 3.13Å; A136-S138 PolarHBondContact O-N 3.48Å | ||
| 137 | I | 48.7 | Very low | 48.2 | Very low | 176 Ų | 176 | 121.4 Ų | 121.4 | 90% | 0.903 | 71% | 0.713 | S | S | * | * | trans | -67.9 | 70 | 163.8 | 42.2 | 167.7 | 0 | 0 | 0 | 108.5 | M135 | M135-I137 PolarHBondContact O-N 3.16Š| ||
| 138 | S | 42.4 | Very low | 47.5 | Very low | 99 Ų | 99 | 122.3 Ų | 122.3 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | trans | -84.4 | 114.8 | 168.8 | 62.6 | 0 | 0 | 0 | 0 | 108.7 | A136 V140 | A136-S138 PolarHBondContact O-N 3.48Å; S138-V140 PolarHBondContact O-N 2.93Å; S138-V140 VanDerWaalsContact O-N 3.08Å | ||
| 139 | S | 48.6 | Very low | 46.8 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | -50.7 | 97.5 | 169.9 | 47.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 140 | V | 40.2 | Very low | 46.2 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | trans | -149.8 | 123.8 | 151 | 173 | 0 | 0 | 0 | 0 | 108.3 | S138 T142 | S138-V140 PolarHBondContact O-N 2.93Å; S138-V140 VanDerWaalsContact O-N 3.08Å; V140-T142 PolarHBondContact O-N 3.37Å | ||
| 141 | T | 51.3 | Low | 45.8 | Very low | 135 Ų | 135 | 130.9 Ų | 130.9 | 83% | 0.828 | 76% | 0.759 | S | S | * | * | trans | -39.4 | 114.4 | 170.2 | 31.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 142 | T | 40.9 | Very low | 45.7 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | -157.2 | 111.2 | 149.1 | -46 | 0 | 0 | 0 | 0 | 109.6 | V140 | V140-T142 PolarHBondContact O-N 3.37Š| ||
| 143 | D | 40.5 | Very low | 45.5 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | 34.2 | 105 | 153 | -51.4 | -26.3 | 0 | 0 | 0 | 119.8 | ||||
| 144 | F | 37.7 | Very low | 45.7 | Very low | 208 Ų | 208 | 137.6 Ų | 137.6 | 91% | 0.912 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 134.4 | 167.8 | -66.5 | -88.2 | 0 | 0 | 0 | 112.2 | ||
| 145 | P | 41.8 | Very low | 46.1 | Very low | 122 Ų | 122 | 137.9 Ų | 137.9 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -90 | 149.1 | 145.8 | 32.2 | -23.8 | 0 | 0 | 0 | 110.6 | ||
| 146 | S | 40.3 | Very low | 46.6 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -47 | 137.1 | -164.8 | -160.3 | 0 | 0 | 0 | 0 | 117 | S148 | S146-S148 VanDerWaalsContact C-N 3.32Å; S146-S148 PolarHBondContact O-N 3.46Å |
| 147 | E | 45.9 | Very low | 46.7 | Very low | 202 Ų | 202 | 144.1 Ų | 144.1 | 94% | 0.944 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -63.3 | 76.5 | 170.5 | -166.8 | 179.9 | -139.9 | 0 | 0 | 111 | ||
| 148 | S | 47 | Very low | 47.2 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -154.6 | 13.7 | 173.7 | 88.7 | 0 | 0 | 0 | 0 | 117 | S146 | S146-S148 VanDerWaalsContact C-N 3.32Å; S146-S148 PolarHBondContact O-N 3.46Å | ||
| 149 | S | 45.1 | Very low | 47.8 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -122.5 | 6.5 | -175.9 | 70.8 | 0 | 0 | 0 | 0 | 116.1 | E151 | S149-E151 VanDerWaalsContact C-N 3.34Å; S149-E151 PolarHBondContact O-N 2.91Å | ||
| 150 | F | 47.6 | Very low | 48.4 | Very low | 179 Ų | 179 | 144.8 Ų | 144.8 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -95.6 | 38.7 | 179.2 | -133.8 | -88.5 | 0 | 0 | 0 | 113.7 | ||||
| 151 | E | 49.7 | Very low | 49.5 | Very low | 171 Ų | 171 | 145.7 Ų | 145.7 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -93 | -2.5 | -179.5 | -152 | 170.8 | -165 | 0 | 0 | 114 | S149 | S149-E151 VanDerWaalsContact C-N 3.34Å; S149-E151 PolarHBondContact O-N 2.91Å |
| 152 | Y | 51.4 | Low | 49.6 | Very low | 235 Ų | 235 | 144.7 Ų | 144.7 | 92% | 0.922 | 78% | 0.784 | S | S | * | * | trans | -137.8 | 72.6 | 177.3 | -88 | -92.1 | 0 | 0 | 0 | 112.7 | ||||
| 153 | G | 49.7 | Very low | 50.3 | Low | 31 Ų | 31 | 146.3 Ų | 146.3 | 32% | 0.32 | 79% | 0.788 | S | S | . | * | S | Bend | trans | -124.9 | 154.2 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | L155 | G153-L155 PolarHBondContact O-N 3.34Š|
| 154 | P | 51.8 | Low | 50.8 | Low | 137 Ų | 137 | 145.2 Ų | 145.2 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -71.2 | 81.7 | -177.1 | 30.9 | -32.9 | 0 | 0 | 0 | 109.8 | L156 | P154-L156 PolarHBondContact O-N 2.88Š| ||
| 155 | L | 55.7 | Low | 51 | Low | 139 Ų | 139 | 142.7 Ų | 142.7 | 73% | 0.728 | 78% | 0.781 | S | S | * | * | trans | -74.6 | 111.5 | 171.3 | -70.1 | 168.3 | 0 | 0 | 0 | 107.1 | G153 K157 | G153-L155 PolarHBondContact O-N 3.34Å; L155-K157 VanDerWaalsContact C-N 3.28Å; L155-K157 PolarHBondContact O-N 3.41Å | ||
| 156 | L | 55.6 | Low | 51.6 | Low | 172 Ų | 172 | 146.1 Ų | 146.1 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | trans | -62.7 | 96.7 | 165.6 | -67.8 | 176.4 | 0 | 0 | 0 | 107.5 | P154 S158 | P154-L156 PolarHBondContact O-N 2.88Å; L156-S158 PolarHBondContact O-N 3.15Å | ||
| 157 | K | 49.8 | Very low | 51.7 | Low | 192 Ų | 192 | 146.9 Ų | 146.9 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -73.9 | 92.2 | 175.1 | -150.6 | -171.1 | -173.6 | -170.9 | 0 | 107.7 | L155 S159 | L155-K157 VanDerWaalsContact C-N 3.28Å; L155-K157 PolarHBondContact O-N 3.41Å; K157-S159 PolarHBondContact O-N 3.1Å; K157-S159 VanDerWaalsContact O-N 3.1Å | ||
| 158 | S | 57.8 | Low | 51.9 | Low | 117 Ų | 117 | 142.7 Ų | 142.7 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -62.3 | 109.9 | 170.6 | 21.3 | 0 | 0 | 0 | 0 | 108.5 | L156 | L156-S158 PolarHBondContact O-N 3.15Š| ||
| 159 | S | 55.2 | Low | 51.4 | Low | 103 Ų | 103 | 145.9 Ų | 145.9 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 120.2 | 167.2 | -61.9 | 0 | 0 | 0 | 0 | 107.6 | K157 I161 | K157-S159 PolarHBondContact O-N 3.1Å; K157-S159 VanDerWaalsContact O-N 3.1Å; S159-I161 PolarHBondContact O-N 3.08Å |
| 160 | E | 62.3 | Low | 51 | Low | 186 Ų | 186 | 144.9 Ų | 144.9 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 122 | 172.5 | -164.8 | 168.5 | -155.4 | 0 | 0 | 108.5 | ||
| 161 | I | 62.5 | Low | 50.8 | Low | 142 Ų | 142 | 142.9 Ų | 142.9 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 124.5 | 175.2 | -61.7 | 168 | 0 | 0 | 0 | 106.1 | S159 L163 | S159-I161 PolarHBondContact O-N 3.08Å; I161-L163 PolarHBondContact O-N 3.5Å; I161-L163 VanDerWaalsContact O-N 3.13Å |
| 162 | P | 53.8 | Low | 50.2 | Low | 114 Ų | 114 | 142 Ų | 142 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 121.3 | 176.1 | -17.2 | 28.3 | 0 | 0 | 0 | 109.2 | ||
| 163 | L | 56 | Low | 49.6 | Very low | 156 Ų | 156 | 135.9 Ų | 135.9 | 82% | 0.817 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -62 | 128.6 | 166.1 | -81.8 | 86.1 | 0 | 0 | 0 | 107.4 | I161 M165 | I161-L163 PolarHBondContact O-N 3.5Å; I161-L163 VanDerWaalsContact O-N 3.13Å; L163-M165 PolarHBondContact O-N 2.65Å |
| 164 | P | 49.4 | Very low | 48.9 | Very low | 124 Ų | 124 | 138 Ų | 138 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -60 | 131 | 171.6 | 23.7 | -29.5 | 0 | 0 | 0 | 108.7 | E166 | P164-E166 PolarHBondContact O-N 3.17Š|
| 165 | M | 42.7 | Very low | 48.3 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -45.7 | 135.9 | 178.9 | -86.1 | 166.9 | 66.5 | 0 | 0 | 111.5 | L163 D167 | L163-M165 PolarHBondContact O-N 2.65Å; M165-D167 VanDerWaalsContact C-N 3.26Å; M165-D167 PolarHBondContact O-N 3.27Å | ||
| 166 | E | 53.5 | Low | 47.4 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | trans | -61.5 | 90.1 | 161.3 | -65 | -147 | 164.8 | 0 | 0 | 109.9 | P164 | P164-E166 PolarHBondContact O-N 3.17Š| ||
| 167 | D | 43.3 | Very low | 46.6 | Very low | 121 Ų | 121 | 137 Ų | 137 | 65% | 0.647 | 76% | 0.761 | S | S | * | * | trans | -101 | 92.4 | 166.7 | -74.9 | -26.6 | 0 | 0 | 0 | 109.2 | M165 | M165-D167 VanDerWaalsContact C-N 3.26Å; M165-D167 PolarHBondContact O-N 3.27Å | ||
| 168 | S | 49.3 | Very low | 46.1 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | 47 | 83.3 | 144.5 | -63.4 | 0 | 0 | 0 | 0 | 117.3 | S170 | S168-S170 VanDerWaalsContact C-N 3.32Å; S168-S170 PolarHBondContact O-N 3.35Å; S168-S170 VanDerWaalsContact O-N 3.14Å | ||
| 169 | I | 37.6 | Very low | 45.5 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | trans | -82.7 | 88.2 | 156.5 | -35.2 | 175.5 | 0 | 0 | 0 | 107.5 | T171 | I169-T171 PolarHBondContact O-N 2.95Š| ||
| 170 | S | 36.9 | Very low | 44.6 | Very low | 88 Ų | 88 | 138.4 Ų | 138.4 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | trans | -48 | 121.1 | 166.1 | 171 | 0 | 0 | 0 | 0 | 109.7 | S168 Q172 | S168-S170 VanDerWaalsContact C-N 3.32Å; S168-S170 PolarHBondContact O-N 3.35Å; S168-S170 VanDerWaalsContact O-N 3.14Å; S170-Q172 PolarHBondContact O-N 3.46Å | ||
| 171 | T | 42.1 | Very low | 43.7 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 85% | 0.847 | 76% | 0.756 | S | S | * | * | trans | -60.1 | 96.9 | 167.9 | -48.2 | 0 | 0 | 0 | 0 | 109.2 | I169 | I169-T171 PolarHBondContact O-N 2.95Š| ||
| 172 | Q | 37.9 | Very low | 42.7 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | -111.8 | 128.2 | 160.3 | -84 | -69.6 | -24.1 | 0 | 0 | 107.2 | S170 S174 | S170-Q172 PolarHBondContact O-N 3.46Å; Q172-S174 VanDerWaalsContact C-N 3.33Å; Q172-S174 PolarHBondContact O-N 3.04Å | ||
| 173 | P | 38.8 | Very low | 42.3 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | trans | -69.9 | 97.5 | 173.3 | 29.6 | -29.2 | 0 | 0 | 0 | 106.7 | D175 | P173-D175 PolarHBondContact O-N 3.27Š| ||
| 174 | S | 34.3 | Very low | 42 | Very low | 76 Ų | 76 | 144.3 Ų | 144.3 | 53% | 0.531 | 76% | 0.755 | S | S | . | * | trans | -67.4 | 115.9 | 171.1 | -179.3 | 0 | 0 | 0 | 0 | 107.6 | Q172 F176 | Q172-S174 VanDerWaalsContact C-N 3.33Å; Q172-S174 PolarHBondContact O-N 3.04Å; S174-F176 VanDerWaalsContact CB-CE2 3.47Å; S174-F176 PolarHBondContact O-N 3.43Å; S174-F176 VanDerWaalsContact OG-CD2 3.25Å; S174-F176 WeakPolarHBondContact OG-CD2 3.42Å; S174-F176 WeakPolarHBondContact OG-CE2 3.17Å | ||
| 175 | D | 39.5 | Very low | 42.3 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | trans | -59.9 | 68.2 | 167.1 | -69 | -46.7 | 0 | 0 | 0 | 110.3 | P173 | P173-D175 PolarHBondContact O-N 3.27Š| ||
| 176 | F | 36.6 | Very low | 43.2 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 72% | 0.719 | 69% | 0.692 | S | S | * | * | trans | -73.6 | 127 | 161.9 | -75.7 | -76.2 | 0 | 0 | 0 | 106.8 | S174 Q178 | S174-F176 VanDerWaalsContact CB-CE2 3.47Å; S174-F176 PolarHBondContact O-N 3.43Å; S174-F176 VanDerWaalsContact OG-CD2 3.25Å; S174-F176 WeakPolarHBondContact OG-CD2 3.42Å; S174-F176 WeakPolarHBondContact OG-CE2 3.17Å; F176-Q178 PolarHBondContact O-N 3.43Å | ||
| 177 | P | 38.9 | Very low | 43.6 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 68% | 0.675 | 67% | 0.671 | S | S | * | * | trans | -55.9 | 121.9 | 171.3 | 22.5 | -29.7 | 0 | 0 | 0 | 106.9 | I179 | P177-I179 PolarHBondContact O-N 2.98Š| ||
| 178 | Q | 40.6 | Very low | 44.5 | Very low | 194 Ų | 194 | 126.3 Ų | 126.3 | 91% | 0.907 | 65% | 0.652 | S | S | * | * | trans | -60.1 | 89.3 | 168.8 | -75.3 | 176.5 | 4.3 | 0 | 0 | 106.8 | F176 | F176-Q178 PolarHBondContact O-N 3.43Š| ||
| 179 | I | 45.1 | Very low | 45.2 | Very low | 139 Ų | 139 | 122.5 Ų | 122.5 | 71% | 0.713 | 62% | 0.62 | S | S | * | * | trans | -63.9 | 126.2 | 169.4 | -61.3 | 166.1 | 0 | 0 | 0 | 104.1 | P177 I181 | P177-I179 PolarHBondContact O-N 2.98Å; I179-I181 PolarHBondContact O-N 3.19Å; I179-I181 VanDerWaalsContact O-N 3.16Å | ||
| 180 | P | 35 | Very low | 46.5 | Very low | 108 Ų | 108 | 118.5 Ų | 118.5 | 70% | 0.701 | 60% | 0.599 | S | S | * | * | trans | -53.5 | 129.7 | -179.5 | -18.8 | 28.3 | 0 | 0 | 0 | 107.7 | Q182 | P180-Q182 PolarHBondContact O-N 3.43Š| ||
| 181 | I | 44 | Very low | 47.7 | Very low | 160 Ų | 160 | 115.8 Ų | 115.8 | 82% | 0.821 | 58% | 0.579 | S | S | * | * | trans | -56.6 | 93.4 | 170.9 | -62.5 | 167.2 | 0 | 0 | 0 | 105.9 | I179 R183 | I179-I181 PolarHBondContact O-N 3.19Å; I179-I181 VanDerWaalsContact O-N 3.16Å; I181-R183 PolarHBondContact O-N 2.98Å | ||
| 182 | Q | 41.6 | Very low | 48.6 | Very low | 140 Ų | 140 | 109.7 Ų | 109.7 | 65% | 0.654 | 54% | 0.542 | S | S | * | . | trans | -70.2 | 100.6 | -178.3 | -173.3 | 168.7 | 26.2 | 0 | 0 | 105.3 | P180 Y184 S185 | P180-Q182 PolarHBondContact O-N 3.43Å; Q182-Y184 PolarHBondContact O-N 3.31Å; Q182-S185 PolarHBondContact O-N 2.79Å | ||
| 183 | R | 45.7 | Very low | 49.8 | Very low | 220 Ų | 220 | 107.3 Ų | 107.3 | 83% | 0.83 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | -20.5 | -154.4 | -90.9 | -177.9 | 175.4 | 147.8 | -1.2 | 118 | I181 | I181-R183 PolarHBondContact O-N 2.98Š|
| 184 | Y | 49.8 | Very low | 50.8 | Low | 202 Ų | 202 | 110 Ų | 110 | 79% | 0.792 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -158.5 | 54.1 | -178.4 | -73 | -80.9 | 0 | 0 | 0 | 111.7 | Q182 R189 | Q182-Y184 PolarHBondContact O-N 3.31Å; Y184-R189 PolarHBondContact O-NH1 3.16Å; Y184-R189 VanDerWaalsContact O-NH1 3.12Å |
| 185 | S | 55.3 | Low | 52 | Low | 28 Ų | 28 | 107.9 Ų | 107.9 | 20% | 0.196 | 52% | 0.516 | C | S | . | . | trans | -125.5 | 112.7 | 166.1 | 68.8 | 0 | 0 | 0 | 0 | 110.7 | Q182 | Q182-S185 PolarHBondContact O-N 2.79Š| ||
| 186 | S | 60.9 | Low | 53 | Low | 6 Ų | 6 | 106.8 Ų | 106.8 | 4% | 0.042 | 50% | 0.503 | C | S | . | . | trans | -50 | 139.5 | 170.8 | 64.5 | 0 | 0 | 0 | 0 | 111.9 | W188 R189 E243 | S186-W188 PolarHBondContact O-N 3.29Å; S186-W188 VanDerWaalsContact O-N 3.16Å; S186-W188 VanDerWaalsContact OG-CD1 3.3Å; S186-W188 PolarHBondContact OG-NE1 2.86Å; S186-R189 WeakPolarHBondContact O-CB 3.24Å; S186-R189 PolarHBondContact O-N 3.49Å; S186-R189 WeakPolarHBondContact OG-CB 3.3Å; S186-R189 PolarHBondContact OG-N 3.41Å; S186-E243 VanDerWaalsContact CB-CD 3.44Å; S186-E243 VanDerWaalsContact CB-OE1 3.3Å; S186-E243 WeakPolarHBondContact CB-OE1 3.41Å; S186-E243 PolarHBondContact N-OE1 3.46Å; S186-E243 VanDerWaalsContact N-OE1 3.13Å; S186-E243 PolarHBondContact OG-OE1 3.25Å; S186-E243 PolarHBondContact OG-OE2 3.46Å | ||
| 187 | Y | 61.8 | Low | 53.9 | Low | 123 Ų | 123 | 103.5 Ų | 103.5 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -54.5 | -36.1 | 179.5 | -175.9 | -99.4 | 0 | 0 | 0 | 111.9 | R189 I190 T191 | Y187-R189 VanDerWaalsContact C-N 3.29Å; Y187-R189 PolarHBondContact O-N 3.06Å; Y187-I190 PolarHBondContact O-N 3.13Å; Y187-T191 HydrophobicContact CD1-CG2 4.22Å; Y187-T191 HydrophobicContact CE1-CG2 3.92Å; Y187-T191 PolarHBondContact O-N 2.62Å; Y187-T191 VanDerWaalsContact O-N 3.17Å; Y187-T191 PolarHBondContact O-OG1 2.82Å |
| 188 | W | 62.7 | Low | 54.6 | Low | 60 Ų | 60 | 102.7 Ų | 102.7 | 23% | 0.227 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -65.4 | -27.4 | 177.7 | 68 | -105.1 | 0 | 0 | 0 | 113.7 | S186 T191 S192 E243 | S186-W188 PolarHBondContact O-N 3.29Å; S186-W188 VanDerWaalsContact O-N 3.16Å; S186-W188 VanDerWaalsContact OG-CD1 3.3Å; S186-W188 PolarHBondContact OG-NE1 2.86Å; W188-T191 WeakPolarHBondContact CA-OG1 3.3Å; W188-T191 PolarHBondContact O-OG1 2.84Å; W188-T191 VanDerWaalsContact O-OG1 3.08Å; W188-S192 WeakPolarHBondContact O-CB 3.3Å; W188-S192 PolarHBondContact O-N 3.21Å; W188-E243 HydrophobicContact CH2-CB 3.93Å; W188-E243 HydrophobicContact CH2-CG 4.47Å; W188-E243 HydrophobicContact CZ2-CB 3.34Å; W188-E243 HydrophobicContact CZ2-CG 3.56Å; W188-E243 WeakPolarHBondContact CZ2-OE2 3.49Å |
| 189 | R | 64.6 | Low | 55.4 | Low | 32 Ų | 32 | 96.3 Ų | 96.3 | 12% | 0.121 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -70.9 | -42.7 | 175.8 | -170.7 | -166.7 | -67.2 | 160.4 | -9.4 | 110.5 | Y184 S186 Y187 S192 I193 E243 | Y184-R189 PolarHBondContact O-NH1 3.16Å; Y184-R189 VanDerWaalsContact O-NH1 3.12Å; S186-R189 WeakPolarHBondContact O-CB 3.24Å; S186-R189 PolarHBondContact O-N 3.49Å; S186-R189 WeakPolarHBondContact OG-CB 3.3Å; S186-R189 PolarHBondContact OG-N 3.41Å; Y187-R189 VanDerWaalsContact C-N 3.29Å; Y187-R189 PolarHBondContact O-N 3.06Å; R189-S192 PolarHBondContact O-N 2.98Å; R189-I193 HydrophobicContact CG-CD1 3.74Å; R189-I193 HydrophobicContact CG-CG1 4.34Å; R189-I193 WeakPolarHBondContact O-CB 3.41Å; R189-I193 VanDerWaalsContact O-CG1 3.24Å; R189-I193 WeakPolarHBondContact O-CG1 3.36Å; R189-I193 PolarHBondContact O-N 3.31Å; R189-E243 VanDerWaalsContact CZ-CD 3.49Å; R189-E243 IonicContact CZ-OE1 2.62Å; R189-E243 IonicContact CZ-OE2 3.81Å; R189-E243 IonicContact NE-OE1 3.05Å; R189-E243 IonicContact NE-OE2 2.83Å; R189-E243 PolarHBondContact NE-OE2 3.42Å; R189-E243 IonicContact NH1-OE1 3.86Å; R189-E243 IonicContact NH2-OE1 2.82Å; R189-E243 PolarHBondContact NH2-OE1 3.45Å; R189-E243 IonicContact NH2-OE2 2.72Å; R189-E243 PolarHBondContact NH2-OE2 3.19Å |
| 190 | I | 63.7 | Low | 55.9 | Low | 89 Ų | 89 | 97.1 Ų | 97.1 | 46% | 0.456 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 179.8 | -58.2 | 170.1 | 0 | 0 | 0 | 110.2 | Y187 | Y187-I190 PolarHBondContact O-N 3.13Å |
| 191 | T | 62 | Low | 56.9 | Low | 30 Ų | 30 | 98.5 Ų | 98.5 | 18% | 0.184 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -68.4 | -41.5 | 176.5 | 62 | 0 | 0 | 0 | 0 | 111.8 | Y187 W188 E195 E220 | Y187-T191 HydrophobicContact CD1-CG2 4.22Å; Y187-T191 HydrophobicContact CE1-CG2 3.92Å; Y187-T191 PolarHBondContact O-N 2.62Å; Y187-T191 VanDerWaalsContact O-N 3.17Å; Y187-T191 PolarHBondContact O-OG1 2.82Å; W188-T191 WeakPolarHBondContact CA-OG1 3.3Å; W188-T191 PolarHBondContact O-OG1 2.84Å; W188-T191 VanDerWaalsContact O-OG1 3.08Å; T191-E195 WeakPolarHBondContact O-CB 3.22Å; T191-E195 PolarHBondContact O-N 2.92Å; T191-E195 VanDerWaalsContact O-N 3.16Å; T191-E220 WeakPolarHBondContact CB-OE2 3.19Å; T191-E220 PolarHBondContact OG1-OE2 2.93Å |
| 192 | S | 62.2 | Low | 57.6 | Low | 11 Ų | 11 | 98.5 Ų | 98.5 | 8% | 0.077 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -67.7 | -40.5 | -179.2 | -178.2 | 0 | 0 | 0 | 0 | 113.4 | W188 R189 K194 E195 K196 | W188-S192 WeakPolarHBondContact O-CB 3.3Å; W188-S192 PolarHBondContact O-N 3.21Å; R189-S192 PolarHBondContact O-N 2.98Å; S192-K194 VanDerWaalsContact C-N 3.33Å; S192-K194 PolarHBondContact O-N 2.86Å; S192-E195 PolarHBondContact O-N 3.43Å; S192-K196 WeakPolarHBondContact O-CB 3.48Å; S192-K196 WeakPolarHBondContact O-CD 3.42Å; S192-K196 WeakPolarHBondContact O-CG 3.37Å; S192-K196 PolarHBondContact O-N 3.45Å |
| 193 | I | 62 | Low | 58.6 | Low | 101 Ų | 101 | 98.1 Ų | 98.1 | 52% | 0.518 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 179.2 | -69.7 | 167.2 | 0 | 0 | 0 | 110.7 | R189 E195 S197 | R189-I193 HydrophobicContact CG-CD1 3.74Å; R189-I193 HydrophobicContact CG-CG1 4.34Å; R189-I193 WeakPolarHBondContact O-CB 3.41Å; R189-I193 VanDerWaalsContact O-CG1 3.24Å; R189-I193 WeakPolarHBondContact O-CG1 3.36Å; R189-I193 PolarHBondContact O-N 3.31Å; I193-E195 VanDerWaalsContact C-N 3.28Å; I193-E195 PolarHBondContact O-N 3.38Å; I193-S197 PolarHBondContact O-N 2.91Å |
| 194 | K | 60.3 | Low | 59.9 | Low | 164 Ų | 164 | 93.8 Ų | 93.8 | 71% | 0.713 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.5 | -42.2 | 175.3 | -174 | 180 | 175.4 | -173.7 | 0 | 111 | S192 S197 | S192-K194 VanDerWaalsContact C-N 3.33Å; S192-K194 PolarHBondContact O-N 2.86Å; K194-S197 PolarHBondContact O-N 3.42Å; K194-S197 PolarHBondContact O-OG 3.45Å |
| 195 | E | 60.7 | Low | 61.3 | Low | 31 Ų | 31 | 87.7 Ų | 87.7 | 15% | 0.145 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -77.6 | -34.3 | -176.4 | -167.1 | 173 | -165.1 | 0 | 0 | 114.1 | T191 S192 I193 S197 S198 L199 Y213 K217 | T191-E195 WeakPolarHBondContact O-CB 3.22Å; T191-E195 PolarHBondContact O-N 2.92Å; T191-E195 VanDerWaalsContact O-N 3.16Å; S192-E195 PolarHBondContact O-N 3.43Å; I193-E195 VanDerWaalsContact C-N 3.28Å; I193-E195 PolarHBondContact O-N 3.38Å; E195-S197 PolarHBondContact O-N 2.83Å; E195-S198 WeakPolarHBondContact CA-OG 3.45Å; E195-S198 PolarHBondContact O-N 2.91Å; E195-S198 VanDerWaalsContact O-N 3.1Å; E195-S198 PolarHBondContact O-OG 3.34Å; E195-L199 HydrophobicContact CG-CD1 4.11Å; E195-L199 HydrophobicContact CG-CG 4.47Å; E195-L199 WeakPolarHBondContact O-CG 3.43Å; E195-L199 PolarHBondContact O-N 3.03Å; E195-Y213 HydrophobicContact CG-CE2 4.19Å; E195-Y213 WeakPolarHBondContact OE1-CD2 3.49Å; E195-Y213 WeakPolarHBondContact OE1-CE2 3.36Å; E195-Y213 WeakPolarHBondContact OE2-CE2 3.34Å; E195-K217 WeakPolarHBondContact OE2-CE 3.3Å; E195-K217 IonicContact OE2-NZ 2.94Å; E195-K217 PolarHBondContact OE2-NZ 3.41Å |
| 196 | K | 59.3 | Low | 62.8 | Low | 136 Ų | 136 | 89.4 Ų | 89.4 | 59% | 0.591 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -60.6 | -32.5 | 171.8 | -77.4 | 167.2 | 149.5 | -179.3 | 0 | 112.6 | S192 S198 | S192-K196 WeakPolarHBondContact O-CB 3.48Å; S192-K196 WeakPolarHBondContact O-CD 3.42Å; S192-K196 WeakPolarHBondContact O-CG 3.37Å; S192-K196 PolarHBondContact O-N 3.45Å; K196-S198 VanDerWaalsContact C-N 3.35Å |
| 197 | S | 55.3 | Low | 64.2 | Low | 95 Ų | 95 | 95.2 Ų | 95.2 | 66% | 0.664 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -72.5 | -29 | 175.9 | 77.5 | 0 | 0 | 0 | 0 | 112.7 | I193 K194 E195 | I193-S197 PolarHBondContact O-N 2.91Å; K194-S197 PolarHBondContact O-N 3.42Å; K194-S197 PolarHBondContact O-OG 3.45Å; E195-S197 PolarHBondContact O-N 2.83Å |
| 198 | S | 53.3 | Low | 65.5 | Low | 88 Ų | 88 | 92.6 Ų | 92.6 | 62% | 0.615 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -84.9 | -29.9 | 175.5 | 47.1 | 0 | 0 | 0 | 0 | 113.7 | E195 K196 Q200 | E195-S198 WeakPolarHBondContact CA-OG 3.45Å; E195-S198 PolarHBondContact O-N 2.91Å; E195-S198 VanDerWaalsContact O-N 3.1Å; E195-S198 PolarHBondContact O-OG 3.34Å; K196-S198 VanDerWaalsContact C-N 3.35Å; S198-Q200 PolarHBondContact O-N 3.49Å; S198-Q200 VanDerWaalsContact O-N 3.1Å |
| 199 | L | 58.9 | Low | 66.7 | Low | 59 Ų | 59 | 93 Ų | 93 | 31% | 0.309 | 50% | 0.504 | S | S | . | . | trans | -86.3 | 54.6 | 174.7 | -64.2 | 175.3 | 0 | 0 | 0 | 110.7 | E195 M201 Y213 | E195-L199 HydrophobicContact CG-CD1 4.11Å; E195-L199 HydrophobicContact CG-CG 4.47Å; E195-L199 WeakPolarHBondContact O-CG 3.43Å; E195-L199 PolarHBondContact O-N 3.03Å; L199-M201 HydrophobicContact CB-CE 4.13Å; L199-M201 WeakPolarHBondContact O-CG 3.24Å; L199-M201 PolarHBondContact O-N 3.23Å; L199-Y213 HydrophobicContact CD1-CD2 4.2Å; L199-Y213 HydrophobicContact CD1-CE2 4.27Å | ||
| 200 | Q | 54.8 | Low | 67.8 | Low | 157 Ų | 157 | 94.9 Ų | 94.9 | 73% | 0.734 | 52% | 0.516 | S | S | * | . | trans | -61.8 | 107.1 | 172.6 | -166.9 | 168.4 | 24.7 | 0 | 0 | 108.3 | S198 Q202 | S198-Q200 PolarHBondContact O-N 3.49Å; S198-Q200 VanDerWaalsContact O-N 3.1Å; Q200-Q202 PolarHBondContact O-N 2.99Å | ||
| 201 | M | 56.8 | Low | 69.1 | Low | 137 Ų | 137 | 94.7 Ų | 94.7 | 68% | 0.675 | 52% | 0.516 | S | S | * | . | trans | -68.2 | 65.4 | -170.6 | -63.3 | -74.1 | 167.1 | 0 | 0 | 112.3 | L199 I205 | L199-M201 HydrophobicContact CB-CE 4.13Å; L199-M201 WeakPolarHBondContact O-CG 3.24Å; L199-M201 PolarHBondContact O-N 3.23Å; M201-I205 HydrophobicContact CE-CD1 3.58Å; M201-I205 HydrophobicContact SD-CD1 3.52Å; M201-I205 VanDerWaalsContact SD-CD1 3.52Å; M201-I205 HydrophobicContact SD-CG1 4.22Å | ||
| 202 | Q | 57.8 | Low | 70.5 | Confident | 159 Ų | 159 | 99.6 Ų | 99.6 | 74% | 0.743 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -90.9 | -20.1 | 176.4 | -155.9 | 107.6 | 69.7 | 0 | 0 | 111.7 | Q200 | Q200-Q202 PolarHBondContact O-N 2.99Š|
| 203 | N | 61.8 | Low | 71.6 | Confident | 133 Ų | 133 | 102 Ų | 102 | 71% | 0.711 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -133.7 | 151.7 | -177.7 | -69.6 | -41.4 | 0 | 0 | 0 | 111.4 | I205 | N203-I205 PolarHBondContact O-N 3.04Š|
| 204 | P | 73.5 | Confident | 72.9 | Confident | 128 Ų | 128 | 101.6 Ų | 101.6 | 83% | 0.831 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 127.7 | 173 | 26 | -32.5 | 0 | 0 | 0 | 109.9 | ||
| 205 | I | 79.1 | Confident | 74.4 | Confident | 74 Ų | 74 | 100.2 Ų | 100.2 | 38% | 0.379 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 135.6 | 179.2 | -66.7 | 168.6 | 0 | 0 | 0 | 109.2 | M201 N203 V209 L210 | M201-I205 HydrophobicContact CE-CD1 3.58Å; M201-I205 HydrophobicContact SD-CD1 3.52Å; M201-I205 VanDerWaalsContact SD-CD1 3.52Å; M201-I205 HydrophobicContact SD-CG1 4.22Å; N203-I205 PolarHBondContact O-N 3.04Å; I205-V209 HydrophobicContact CG2-CB 3.95Å; I205-V209 HydrophobicContact CG2-CG1 3.98Å; I205-L210 HydrophobicContact CG2-CB 4.05Å |
| 206 | S | 87.7 | Confident | 75.7 | Confident | 65 Ų | 65 | 103 Ų | 103 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -71.9 | 144.7 | 172.7 | 131.1 | 0 | 0 | 0 | 0 | 110.4 | A208 V209 L210 | S206-A208 PolarHBondContact O-N 2.81Å; S206-A208 VanDerWaalsContact O-N 3.15Å; S206-A208 PolarHBondContact OG-N 3.41Å; S206-V209 PolarHBondContact O-N 3.43Å; S206-L210 PolarHBondContact O-N 2.9Å |
| 207 | N | 89.9 | Confident | 76.9 | Confident | 128 Ų | 128 | 98.1 Ų | 98.1 | 68% | 0.684 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -55.5 | -32.5 | 177.7 | -79.4 | -19.9 | 0 | 0 | 0 | 113.3 | L210 N211 | N207-L210 PolarHBondContact O-N 3.4Å; N207-N211 WeakPolarHBondContact O-CB 3.48Å; N207-N211 PolarHBondContact O-N 3.41Å; N207-N211 PolarHBondContact O-OD1 2.84Å |
| 208 | A | 89.9 | Confident | 78.5 | Confident | 68 Ų | 68 | 99.4 Ų | 99.4 | 56% | 0.562 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.3 | -43.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S206 N211 E212 | S206-A208 PolarHBondContact O-N 2.81Å; S206-A208 VanDerWaalsContact O-N 3.15Å; S206-A208 PolarHBondContact OG-N 3.41Å; A208-N211 PolarHBondContact O-N 2.82Å; A208-E212 WeakPolarHBondContact O-CB 3.47Å; A208-E212 PolarHBondContact O-N 3.38Å |
| 209 | V | 87 | Confident | 80.2 | Confident | 68 Ų | 68 | 98.8 Ų | 98.8 | 41% | 0.412 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67 | -39.2 | 177.7 | 177 | 0 | 0 | 0 | 0 | 110.9 | I205 S206 Y213 | I205-V209 HydrophobicContact CG2-CB 3.95Å; I205-V209 HydrophobicContact CG2-CG1 3.98Å; S206-V209 PolarHBondContact O-N 3.43Å; V209-Y213 WeakPolarHBondContact O-CB 3.48Å; V209-Y213 PolarHBondContact O-N 3.44Å |
| 210 | L | 87.4 | Confident | 81.4 | Confident | 71 Ų | 71 | 97 Ų | 97 | 37% | 0.372 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 174.8 | 178.3 | 62.7 | 0 | 0 | 0 | 111.4 | I205 S206 N207 Y213 L214 | I205-L210 HydrophobicContact CG2-CB 4.05Å; S206-L210 PolarHBondContact O-N 2.9Å; N207-L210 PolarHBondContact O-N 3.4Å; L210-Y213 WeakPolarHBondContact O-CB 3.04Å; L210-Y213 PolarHBondContact O-N 2.94Å; L210-L214 HydrophobicContact CD1-CD1 4.22Å; L210-L214 HydrophobicContact CD1-CG 4.22Å; L210-L214 HydrophobicContact CG-CD1 4.03Å; L210-L214 HydrophobicContact CG-CG 4.43Å; L210-L214 VanDerWaalsContact O-CG 3.26Å; L210-L214 WeakPolarHBondContact O-CG 3.48Å; L210-L214 PolarHBondContact O-N 3.04Å |
| 211 | N | 91.9 | Very high | 82.8 | Confident | 86 Ų | 86 | 93.3 Ų | 93.3 | 46% | 0.46 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | -179.8 | -73.2 | -8 | 0 | 0 | 0 | 111.5 | N207 A208 Y213 L214 E215 | N207-N211 WeakPolarHBondContact O-CB 3.48Å; N207-N211 PolarHBondContact O-N 3.41Å; N207-N211 PolarHBondContact O-OD1 2.84Å; A208-N211 PolarHBondContact O-N 2.82Å; N211-Y213 VanDerWaalsContact C-N 3.31Å; N211-Y213 PolarHBondContact O-N 3.32Å; N211-L214 PolarHBondContact O-N 2.86Å; N211-L214 VanDerWaalsContact O-N 3.13Å; N211-E215 WeakPolarHBondContact O-CB 3.27Å; N211-E215 WeakPolarHBondContact O-CG 3.41Å; N211-E215 PolarHBondContact O-N 3.44Å |
| 212 | E | 90.1 | Very high | 84.2 | Confident | 133 Ų | 133 | 93.9 Ų | 93.9 | 62% | 0.621 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.5 | -43.7 | 176 | -175 | 175.8 | -173.9 | 0 | 0 | 111.6 | A208 L214 E215 Q216 | A208-E212 WeakPolarHBondContact O-CB 3.47Å; A208-E212 PolarHBondContact O-N 3.38Å; E212-L214 PolarHBondContact O-N 3.28Å; E212-E215 PolarHBondContact O-N 2.86Å; E212-Q216 WeakPolarHBondContact O-CB 3.42Å; E212-Q216 PolarHBondContact O-N 3.29Å |
| 213 | Y | 86.4 | Confident | 85.5 | Confident | 61 Ų | 61 | 92.3 Ų | 92.3 | 24% | 0.239 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 174.1 | 174.2 | -92.9 | 0 | 0 | 0 | 112.2 | E195 L199 V209 L210 N211 Q216 K217 | E195-Y213 HydrophobicContact CG-CE2 4.19Å; E195-Y213 WeakPolarHBondContact OE1-CD2 3.49Å; E195-Y213 WeakPolarHBondContact OE1-CE2 3.36Å; E195-Y213 WeakPolarHBondContact OE2-CE2 3.34Å; L199-Y213 HydrophobicContact CD1-CD2 4.2Å; L199-Y213 HydrophobicContact CD1-CE2 4.27Å; V209-Y213 WeakPolarHBondContact O-CB 3.48Å; V209-Y213 PolarHBondContact O-N 3.44Å; L210-Y213 WeakPolarHBondContact O-CB 3.04Å; L210-Y213 PolarHBondContact O-N 2.94Å; N211-Y213 VanDerWaalsContact C-N 3.31Å; N211-Y213 PolarHBondContact O-N 3.32Å; Y213-Q216 PolarHBondContact O-N 3.06Å; Y213-K217 HydrophobicContact CD1-CG 4.17Å; Y213-K217 HydrophobicContact CD2-CG 4.49Å; Y213-K217 HydrophobicContact CE1-CG 3.7Å; Y213-K217 HydrophobicContact CE2-CD 4.36Å; Y213-K217 HydrophobicContact CE2-CG 4.07Å; Y213-K217 VanDerWaalsContact CZ-CE 3.45Å; Y213-K217 WeakPolarHBondContact O-CB 3.36Å; Y213-K217 VanDerWaalsContact O-CG 3.32Å; Y213-K217 WeakPolarHBondContact O-CG 3.38Å; Y213-K217 PolarHBondContact O-N 3.32Å; Y213-K217 VanDerWaalsContact OH-CE 3.32Å; Y213-K217 WeakPolarHBondContact OH-CE 3.33Å |
| 214 | L | 89.9 | Confident | 86.3 | Confident | 92 Ų | 92 | 86.6 Ų | 86.6 | 48% | 0.482 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 179.6 | -71.1 | 174 | 0 | 0 | 0 | 111.8 | L210 N211 E212 Q216 K217 L218 | L210-L214 HydrophobicContact CD1-CD1 4.22Å; L210-L214 HydrophobicContact CD1-CG 4.22Å; L210-L214 HydrophobicContact CG-CD1 4.03Å; L210-L214 HydrophobicContact CG-CG 4.43Å; L210-L214 VanDerWaalsContact O-CG 3.26Å; L210-L214 WeakPolarHBondContact O-CG 3.48Å; L210-L214 PolarHBondContact O-N 3.04Å; N211-L214 PolarHBondContact O-N 2.86Å; N211-L214 VanDerWaalsContact O-N 3.13Å; E212-L214 PolarHBondContact O-N 3.28Å; L214-Q216 VanDerWaalsContact C-N 3.35Å; L214-K217 PolarHBondContact O-N 3.3Å; L214-L218 WeakPolarHBondContact O-CB 3.45Å; L214-L218 PolarHBondContact O-N 3.32Å |
| 215 | E | 90.6 | Very high | 86.6 | Confident | 136 Ų | 136 | 86.1 Ų | 86.1 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -59.8 | -46.3 | 174.2 | -73.8 | 174.7 | -166.2 | 0 | 0 | 110.7 | N211 E212 K217 L218 V219 | N211-E215 WeakPolarHBondContact O-CB 3.27Å; N211-E215 WeakPolarHBondContact O-CG 3.41Å; N211-E215 PolarHBondContact O-N 3.44Å; E212-E215 PolarHBondContact O-N 2.86Å; E215-K217 PolarHBondContact O-N 2.96Å; E215-L218 PolarHBondContact O-N 3.49Å; E215-V219 WeakPolarHBondContact O-CG2 3.45Å; E215-V219 PolarHBondContact O-N 2.9Å; E215-V219 VanDerWaalsContact O-N 3.1Å |
| 216 | Q | 88.1 | Confident | 86.8 | Confident | 89 Ų | 89 | 86 Ų | 86 | 42% | 0.416 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 175.6 | -174.9 | -178.8 | -25.3 | 0 | 0 | 111.7 | E212 Y213 L214 L218 V219 E220 | E212-Q216 WeakPolarHBondContact O-CB 3.42Å; E212-Q216 PolarHBondContact O-N 3.29Å; Y213-Q216 PolarHBondContact O-N 3.06Å; L214-Q216 VanDerWaalsContact C-N 3.35Å; Q216-L218 VanDerWaalsContact C-N 3.33Å; Q216-L218 PolarHBondContact O-N 3.12Å; Q216-V219 PolarHBondContact O-N 2.99Å; Q216-E220 PolarHBondContact NE2-OE1 2.74Å; Q216-E220 WeakPolarHBondContact O-CG 3.49Å; Q216-E220 PolarHBondContact O-N 3.1Å |
| 217 | K | 85.7 | Confident | 86.5 | Confident | 34 Ų | 34 | 87 Ų | 87 | 15% | 0.148 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.4 | -34.1 | 178.7 | -70.4 | -64 | 163 | -145.9 | 0 | 113 | E195 Y213 L214 E215 E220 L221 | E195-K217 WeakPolarHBondContact OE2-CE 3.3Å; E195-K217 IonicContact OE2-NZ 2.94Å; E195-K217 PolarHBondContact OE2-NZ 3.41Å; Y213-K217 HydrophobicContact CD1-CG 4.17Å; Y213-K217 HydrophobicContact CD2-CG 4.49Å; Y213-K217 HydrophobicContact CE1-CG 3.7Å; Y213-K217 HydrophobicContact CE2-CD 4.36Å; Y213-K217 HydrophobicContact CE2-CG 4.07Å; Y213-K217 VanDerWaalsContact CZ-CE 3.45Å; Y213-K217 WeakPolarHBondContact O-CB 3.36Å; Y213-K217 VanDerWaalsContact O-CG 3.32Å; Y213-K217 WeakPolarHBondContact O-CG 3.38Å; Y213-K217 PolarHBondContact O-N 3.32Å; Y213-K217 VanDerWaalsContact OH-CE 3.32Å; Y213-K217 WeakPolarHBondContact OH-CE 3.33Å; L214-K217 PolarHBondContact O-N 3.3Å; E215-K217 PolarHBondContact O-N 2.96Å; K217-E220 IonicContact NZ-OE1 2.64Å; K217-E220 IonicContact NZ-OE2 2.62Å; K217-E220 PolarHBondContact NZ-OE2 3.23Å; K217-E220 PolarHBondContact O-N 3.1Å; K217-L221 WeakPolarHBondContact O-CB 3.31Å; K217-L221 PolarHBondContact O-N 2.96Å |
| 218 | L | 88.2 | Confident | 85.6 | Confident | 121 Ų | 121 | 81.4 Ų | 81.4 | 63% | 0.634 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.1 | -42.9 | 175.6 | -170.2 | 151.1 | 0 | 0 | 0 | 111.1 | L214 E215 Q216 L221 Y222 | L214-L218 WeakPolarHBondContact O-CB 3.45Å; L214-L218 PolarHBondContact O-N 3.32Å; E215-L218 PolarHBondContact O-N 3.49Å; Q216-L218 VanDerWaalsContact C-N 3.33Å; Q216-L218 PolarHBondContact O-N 3.12Å; L218-L221 PolarHBondContact O-N 2.89Å; L218-Y222 PolarHBondContact O-N 3.33Å |
| 219 | V | 88.3 | Confident | 84.8 | Confident | 76 Ų | 76 | 81.3 Ų | 81.3 | 46% | 0.461 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 175.7 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | E215 Q216 L221 Y222 K223 | E215-V219 WeakPolarHBondContact O-CG2 3.45Å; E215-V219 PolarHBondContact O-N 2.9Å; E215-V219 VanDerWaalsContact O-N 3.1Å; Q216-V219 PolarHBondContact O-N 2.99Å; V219-L221 VanDerWaalsContact C-N 3.33Å; V219-L221 PolarHBondContact O-N 3.01Å; V219-Y222 PolarHBondContact O-N 2.99Å; V219-K223 HydrophobicContact CG1-CD 4.42Å; V219-K223 WeakPolarHBondContact O-CG 3.14Å; V219-K223 PolarHBondContact O-N 2.82Å |
| 220 | E | 85.3 | Confident | 84.1 | Confident | 20 Ų | 20 | 82.8 Ų | 82.8 | 9% | 0.093 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 175.8 | -73.3 | 175.3 | -170.7 | 0 | 0 | 111.9 | T191 Q216 K217 K223 Q224 | T191-E220 WeakPolarHBondContact CB-OE2 3.19Å; T191-E220 PolarHBondContact OG1-OE2 2.93Å; Q216-E220 PolarHBondContact NE2-OE1 2.74Å; Q216-E220 WeakPolarHBondContact O-CG 3.49Å; Q216-E220 PolarHBondContact O-N 3.1Å; K217-E220 IonicContact NZ-OE1 2.64Å; K217-E220 IonicContact NZ-OE2 2.62Å; K217-E220 PolarHBondContact NZ-OE2 3.23Å; K217-E220 PolarHBondContact O-N 3.1Å; E220-K223 PolarHBondContact O-N 3.05Å; E220-Q224 PolarHBondContact O-N 3Å; E220-Q224 VanDerWaalsContact O-N 3.1Å |
| 221 | L | 83.4 | Confident | 83 | Confident | 81 Ų | 81 | 86.5 Ų | 86.5 | 42% | 0.424 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 176.3 | -179.6 | 65 | 0 | 0 | 0 | 111.9 | K217 L218 V219 K223 Q224 Y225 L240 | K217-L221 WeakPolarHBondContact O-CB 3.31Å; K217-L221 PolarHBondContact O-N 2.96Å; L218-L221 PolarHBondContact O-N 2.89Å; V219-L221 VanDerWaalsContact C-N 3.33Å; V219-L221 PolarHBondContact O-N 3.01Å; L221-K223 PolarHBondContact O-N 2.72Å; L221-Q224 PolarHBondContact O-N 2.82Å; L221-Y225 WeakPolarHBondContact O-CB 3.17Å; L221-Y225 PolarHBondContact O-N 3.1Å; L221-L240 HydrophobicContact CD1-CD2 4.09Å |
| 222 | Y | 86.6 | Confident | 81.7 | Confident | 148 Ų | 148 | 87.7 Ų | 87.7 | 58% | 0.58 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64.9 | -39.4 | 179.5 | -174.5 | -105.7 | 0 | 0 | 0 | 112.3 | L218 V219 Q224 Y225 I226 | L218-Y222 PolarHBondContact O-N 3.33Å; V219-Y222 PolarHBondContact O-N 2.99Å; Y222-Q224 VanDerWaalsContact C-N 3.34Å; Y222-Q224 PolarHBondContact O-N 3.13Å; Y222-Y225 WeakPolarHBondContact O-CB 3.37Å; Y222-Y225 PolarHBondContact O-N 3.32Å; Y222-I226 HydrophobicContact CD1-CD1 3.83Å; Y222-I226 HydrophobicContact CE1-CD1 3.3Å; Y222-I226 HydrophobicContact CE1-CG1 4.22Å; Y222-I226 PolarHBondContact O-N 3.35Å |
| 223 | K | 85.5 | Confident | 80.5 | Confident | 126 Ų | 126 | 90.1 Ų | 90.1 | 55% | 0.548 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 172.9 | -73.5 | 175.6 | 178.8 | 178.3 | 0 | 111.7 | V219 E220 L221 I226 M227 | V219-K223 HydrophobicContact CG1-CD 4.42Å; V219-K223 WeakPolarHBondContact O-CG 3.14Å; V219-K223 PolarHBondContact O-N 2.82Å; E220-K223 PolarHBondContact O-N 3.05Å; L221-K223 PolarHBondContact O-N 2.72Å; K223-I226 PolarHBondContact O-N 2.83Å; K223-M227 PolarHBondContact O-N 3.43Å |
| 224 | Q | 77.6 | Confident | 79.4 | Confident | 14 Ų | 14 | 89 Ų | 89 | 7% | 0.065 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63 | -43.4 | 177.1 | -175.7 | 66 | 34.5 | 0 | 0 | 111.2 | E220 L221 Y222 I226 M227 D228 | E220-Q224 PolarHBondContact O-N 3Å; E220-Q224 VanDerWaalsContact O-N 3.1Å; L221-Q224 PolarHBondContact O-N 2.82Å; Y222-Q224 VanDerWaalsContact C-N 3.34Å; Y222-Q224 PolarHBondContact O-N 3.13Å; Q224-I226 PolarHBondContact O-N 3.06Å; Q224-M227 PolarHBondContact O-N 2.97Å; Q224-D228 VanDerWaalsContact CG-OD2 3.31Å; Q224-D228 WeakPolarHBondContact CG-OD2 3.4Å; Q224-D228 PolarHBondContact NE2-OD1 3.42Å; Q224-D228 PolarHBondContact NE2-OD2 2.96Å; Q224-D228 WeakPolarHBondContact O-CB 3.37Å; Q224-D228 VanDerWaalsContact O-CG 3.26Å; Q224-D228 PolarHBondContact O-N 3.37Å |
| 225 | Y | 79.8 | Confident | 78.3 | Confident | 117 Ų | 117 | 87.6 Ų | 87.6 | 46% | 0.459 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -55.8 | -48.8 | 176 | 172.8 | -86.1 | 0 | 0 | 0 | 111.9 | L221 Y222 M227 D228 T229 P236 | L221-Y225 WeakPolarHBondContact O-CB 3.17Å; L221-Y225 PolarHBondContact O-N 3.1Å; Y222-Y225 WeakPolarHBondContact O-CB 3.37Å; Y222-Y225 PolarHBondContact O-N 3.32Å; Y225-M227 PolarHBondContact O-N 2.86Å; Y225-D228 PolarHBondContact O-N 3.5Å; Y225-T229 HydrophobicContact CD1-CG2 4.31Å; Y225-T229 HydrophobicContact CD2-CG2 4.41Å; Y225-T229 HydrophobicContact CE1-CG2 3.96Å; Y225-T229 HydrophobicContact CE2-CG2 4.1Å; Y225-T229 HydrophobicContact CG-CG2 4.5Å; Y225-T229 WeakPolarHBondContact O-CB 3.11Å; Y225-T229 VanDerWaalsContact O-CG2 3.28Å; Y225-T229 WeakPolarHBondContact O-CG2 3.25Å; Y225-T229 PolarHBondContact O-N 3.49Å; Y225-T229 PolarHBondContact O-OG1 3.47Å; Y225-P236 HydrophobicContact CD2-CB 3.74Å; Y225-P236 HydrophobicContact CD2-CG 3.34Å; Y225-P236 HydrophobicContact CE2-CB 4.17Å; Y225-P236 HydrophobicContact CE2-CG 3.45Å; Y225-P236 VanDerWaalsContact CE2-CG 3.45Å; Y225-P236 HydrophobicContact CG-CG 4.39Å |
| 226 | I | 83 | Confident | 77.1 | Confident | 73 Ų | 73 | 82.6 Ų | 82.6 | 37% | 0.374 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.5 | -47.8 | 178.3 | -67.7 | 170.1 | 0 | 0 | 0 | 110.1 | Y222 K223 Q224 D228 T229 V230 | Y222-I226 HydrophobicContact CD1-CD1 3.83Å; Y222-I226 HydrophobicContact CE1-CD1 3.3Å; Y222-I226 HydrophobicContact CE1-CG1 4.22Å; Y222-I226 PolarHBondContact O-N 3.35Å; K223-I226 PolarHBondContact O-N 2.83Å; Q224-I226 PolarHBondContact O-N 3.06Å; I226-D228 VanDerWaalsContact C-N 3.34Å; I226-D228 PolarHBondContact O-N 3.48Å; I226-T229 PolarHBondContact O-N 3.26Å; I226-T229 PolarHBondContact O-OG1 3.1Å; I226-V230 HydrophobicContact CG2-CG2 4.24Å; I226-V230 WeakPolarHBondContact O-CB 3.47Å; I226-V230 WeakPolarHBondContact O-CG2 3.23Å; I226-V230 PolarHBondContact O-N 3.49Å |
| 227 | M | 81.5 | Confident | 76.3 | Confident | 84 Ų | 84 | 83.2 Ų | 83.2 | 41% | 0.414 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 179.8 | -172.7 | 174.4 | 62.1 | 0 | 0 | 111.6 | K223 Q224 Y225 V230 F231 | K223-M227 PolarHBondContact O-N 3.43Å; Q224-M227 PolarHBondContact O-N 2.97Å; Y225-M227 PolarHBondContact O-N 2.86Å; M227-V230 PolarHBondContact O-N 3.37Å; M227-F231 HydrophobicContact CG-CD2 3.89Å; M227-F231 HydrophobicContact CG-CE2 4.34Å; M227-F231 WeakPolarHBondContact O-CB 3.48Å; M227-F231 VanDerWaalsContact O-CD2 3.22Å; M227-F231 WeakPolarHBondContact O-CD2 3.36Å; M227-F231 PolarHBondContact O-N 2.79Å |
| 228 | D | 71.8 | Confident | 75.6 | Confident | 12 Ų | 12 | 87.5 Ų | 87.5 | 6% | 0.064 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -68.4 | -42.9 | -178.6 | -68.8 | -21.9 | 0 | 0 | 0 | 111.4 | Q224 Y225 I226 V230 F231 H232 I239 | Q224-D228 VanDerWaalsContact CG-OD2 3.31Å; Q224-D228 WeakPolarHBondContact CG-OD2 3.4Å; Q224-D228 PolarHBondContact NE2-OD1 3.42Å; Q224-D228 PolarHBondContact NE2-OD2 2.96Å; Q224-D228 WeakPolarHBondContact O-CB 3.37Å; Q224-D228 VanDerWaalsContact O-CG 3.26Å; Q224-D228 PolarHBondContact O-N 3.37Å; Y225-D228 PolarHBondContact O-N 3.5Å; I226-D228 VanDerWaalsContact C-N 3.34Å; I226-D228 PolarHBondContact O-N 3.48Å; D228-V230 VanDerWaalsContact C-N 3.27Å; D228-V230 PolarHBondContact O-N 3.4Å; D228-F231 PolarHBondContact O-N 3.18Å; D228-H232 CarbonylContact O-C 3.47Å; D228-H232 WeakPolarHBondContact O-CA 3.4Å; D228-H232 WeakPolarHBondContact O-CB 3.18Å; D228-H232 PolarHBondContact O-N 3.32Å; D228-I239 HydrophobicContact CB-CD1 3.61Å; D228-I239 WeakPolarHBondContact OD2-CD1 3.31Å |
| 229 | T | 72.5 | Confident | 74.8 | Confident | 66 Ų | 66 | 83.3 Ų | 83.3 | 41% | 0.405 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.1 | -26 | 176.7 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | Y225 I226 P236 | Y225-T229 HydrophobicContact CD1-CG2 4.31Å; Y225-T229 HydrophobicContact CD2-CG2 4.41Å; Y225-T229 HydrophobicContact CE1-CG2 3.96Å; Y225-T229 HydrophobicContact CE2-CG2 4.1Å; Y225-T229 HydrophobicContact CG-CG2 4.5Å; Y225-T229 WeakPolarHBondContact O-CB 3.11Å; Y225-T229 VanDerWaalsContact O-CG2 3.28Å; Y225-T229 WeakPolarHBondContact O-CG2 3.25Å; Y225-T229 PolarHBondContact O-N 3.49Å; Y225-T229 PolarHBondContact O-OG1 3.47Å; I226-T229 PolarHBondContact O-N 3.26Å; I226-T229 PolarHBondContact O-OG1 3.1Å; T229-P236 HydrophobicContact CG2-CG 4.15Å |
| 230 | V | 72.9 | Confident | 74.1 | Confident | 99 Ų | 99 | 83.4 Ų | 83.4 | 60% | 0.6 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -87.1 | -30.2 | -179.3 | 172.8 | 0 | 0 | 0 | 0 | 112.1 | I226 M227 D228 | I226-V230 HydrophobicContact CG2-CG2 4.24Å; I226-V230 WeakPolarHBondContact O-CB 3.47Å; I226-V230 WeakPolarHBondContact O-CG2 3.23Å; I226-V230 PolarHBondContact O-N 3.49Å; M227-V230 PolarHBondContact O-N 3.37Å; D228-V230 VanDerWaalsContact C-N 3.27Å; D228-V230 PolarHBondContact O-N 3.4Å |
| 231 | F | 65 | Low | 73.6 | Confident | 149 Ų | 149 | 84.8 Ų | 84.8 | 65% | 0.654 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -112.6 | -12.1 | -174.1 | -65.3 | -73 | 0 | 0 | 0 | 114.6 | M227 D228 | M227-F231 HydrophobicContact CG-CD2 3.89Å; M227-F231 HydrophobicContact CG-CE2 4.34Å; M227-F231 WeakPolarHBondContact O-CB 3.48Å; M227-F231 VanDerWaalsContact O-CD2 3.22Å; M227-F231 WeakPolarHBondContact O-CD2 3.36Å; M227-F231 PolarHBondContact O-N 2.79Å; D228-F231 PolarHBondContact O-N 3.18Å |
| 232 | H | 63.8 | Low | 73.5 | Confident | 110 Ų | 110 | 83.6 Ų | 83.6 | 51% | 0.509 | 44% | 0.435 | S | S | . | . | trans | -141.4 | 132.3 | -176.5 | -60.9 | -53.3 | 0 | 0 | 0 | 112.5 | D228 S234 | D228-H232 CarbonylContact O-C 3.47Å; D228-H232 WeakPolarHBondContact O-CA 3.4Å; D228-H232 WeakPolarHBondContact O-CB 3.18Å; D228-H232 PolarHBondContact O-N 3.32Å; H232-S234 WeakPolarHBondContact CB-OG 3.23Å; H232-S234 PolarHBondContact O-N 3.05Å | ||
| 233 | D | 63.7 | Low | 73.2 | Confident | 185 Ų | 185 | 77 Ų | 77 | 99% | 0.989 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -71.7 | 4.6 | 174.4 | -61.8 | -40.3 | 0 | 0 | 0 | 113.5 | ||
| 234 | S | 64.7 | Low | 73.2 | Confident | 37 Ų | 37 | 76.8 Ų | 76.8 | 26% | 0.259 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -79.6 | 132 | -179.9 | 54.2 | 0 | 0 | 0 | 0 | 111.4 | H232 | H232-S234 WeakPolarHBondContact CB-OG 3.23Å; H232-S234 PolarHBondContact O-N 3.05Å |
| 235 | S | 66 | Low | 73.7 | Confident | 62 Ų | 62 | 80 Ų | 80 | 43% | 0.434 | 43% | 0.43 | S | S | . | . | trans | -59.5 | 135.4 | 174 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | T237 Q238 I239 | S235-T237 PolarHBondContact O-N 3.27Å; S235-T237 PolarHBondContact OG-N 2.88Å; S235-Q238 WeakPolarHBondContact O-CA 3.46Å; S235-Q238 VanDerWaalsContact O-CB 3.28Å; S235-Q238 WeakPolarHBondContact O-CB 3.49Å; S235-Q238 PolarHBondContact O-N 3.31Å; S235-I239 PolarHBondContact O-N 2.92Å | ||
| 236 | P | 66.6 | Low | 74.1 | Confident | 31 Ų | 31 | 76.4 Ų | 76.4 | 20% | 0.201 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -51.6 | -31.8 | 173.5 | -29.2 | 35.8 | 0 | 0 | 0 | 113.4 | Y225 T229 I239 L240 | Y225-P236 HydrophobicContact CD2-CB 3.74Å; Y225-P236 HydrophobicContact CD2-CG 3.34Å; Y225-P236 HydrophobicContact CE2-CB 4.17Å; Y225-P236 HydrophobicContact CE2-CG 3.45Å; Y225-P236 VanDerWaalsContact CE2-CG 3.45Å; Y225-P236 HydrophobicContact CG-CG 4.39Å; T229-P236 HydrophobicContact CG2-CG 4.15Å; P236-I239 PolarHBondContact O-N 3Å; P236-L240 WeakPolarHBondContact O-CG 3.18Å; P236-L240 PolarHBondContact O-N 3.38Å |
| 237 | T | 70.9 | Confident | 74.2 | Confident | 103 Ų | 103 | 74.7 Ų | 74.7 | 63% | 0.632 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64.8 | -37.9 | 175.1 | -53.1 | 0 | 0 | 0 | 0 | 112.4 | S235 I239 L240 A241 | S235-T237 PolarHBondContact O-N 3.27Å; S235-T237 PolarHBondContact OG-N 2.88Å; T237-I239 VanDerWaalsContact C-N 3.35Å; T237-L240 PolarHBondContact O-N 3.42Å; T237-A241 WeakPolarHBondContact O-CB 3.33Å; T237-A241 PolarHBondContact O-N 2.96Å |
| 238 | Q | 71 | Confident | 74.6 | Confident | 124 Ų | 124 | 73 Ų | 73 | 58% | 0.579 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.9 | -38.5 | 177.6 | -170.7 | -179 | 21.2 | 0 | 0 | 111.1 | S235 A241 S242 | S235-Q238 WeakPolarHBondContact O-CA 3.46Å; S235-Q238 VanDerWaalsContact O-CB 3.28Å; S235-Q238 WeakPolarHBondContact O-CB 3.49Å; S235-Q238 PolarHBondContact O-N 3.31Å; Q238-A241 PolarHBondContact O-N 3.47Å; Q238-S242 WeakPolarHBondContact O-CB 3.48Å; Q238-S242 PolarHBondContact O-N 3.05Å |
| 239 | I | 71.6 | Confident | 75.5 | Confident | 32 Ų | 32 | 72.5 Ų | 72.5 | 16% | 0.164 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.7 | -48.8 | 175.9 | -58.7 | 175.4 | 0 | 0 | 0 | 109.6 | D228 S235 P236 T237 A241 S242 E243 | D228-I239 HydrophobicContact CB-CD1 3.61Å; D228-I239 WeakPolarHBondContact OD2-CD1 3.31Å; S235-I239 PolarHBondContact O-N 2.92Å; P236-I239 PolarHBondContact O-N 3Å; T237-I239 VanDerWaalsContact C-N 3.35Å; I239-A241 VanDerWaalsContact C-N 3.32Å; I239-A241 PolarHBondContact O-N 3Å; I239-S242 PolarHBondContact O-N 3.29Å; I239-E243 HydrophobicContact CG2-CG 4.37Å; I239-E243 WeakPolarHBondContact O-CB 3.32Å; I239-E243 WeakPolarHBondContact O-CG 3.33Å; I239-E243 PolarHBondContact O-N 3.43Å |
| 240 | L | 72.6 | Confident | 76.4 | Confident | 79 Ų | 79 | 72 Ų | 72 | 41% | 0.414 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 176.4 | -69.3 | 174.3 | 0 | 0 | 0 | 112.7 | L221 P236 T237 E243 L244 | L221-L240 HydrophobicContact CD1-CD2 4.09Å; P236-L240 WeakPolarHBondContact O-CG 3.18Å; P236-L240 PolarHBondContact O-N 3.38Å; T237-L240 PolarHBondContact O-N 3.42Å; L240-E243 PolarHBondContact O-N 3.37Å; L240-L244 PolarHBondContact O-N 2.92Å |
| 241 | A | 76.1 | Confident | 77.3 | Confident | 48 Ų | 48 | 73.7 Ų | 73.7 | 40% | 0.397 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.8 | -45.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | T237 Q238 I239 E243 L244 I245 | T237-A241 WeakPolarHBondContact O-CB 3.33Å; T237-A241 PolarHBondContact O-N 2.96Å; Q238-A241 PolarHBondContact O-N 3.47Å; I239-A241 VanDerWaalsContact C-N 3.32Å; I239-A241 PolarHBondContact O-N 3Å; A241-E243 VanDerWaalsContact C-N 3.28Å; A241-E243 PolarHBondContact O-N 3.29Å; A241-L244 PolarHBondContact O-N 3.31Å; A241-I245 VanDerWaalsContact O-CG1 3.29Å; A241-I245 WeakPolarHBondContact O-CG1 3.18Å; A241-I245 PolarHBondContact O-N 2.92Å |
| 242 | S | 80 | Confident | 78.7 | Confident | 57 Ų | 57 | 70.4 Ų | 70.4 | 40% | 0.399 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.4 | -43.2 | 175.2 | -177.4 | 0 | 0 | 0 | 0 | 111 | Q238 I239 I245 M246 | Q238-S242 WeakPolarHBondContact O-CB 3.48Å; Q238-S242 PolarHBondContact O-N 3.05Å; I239-S242 PolarHBondContact O-N 3.29Å; S242-I245 WeakPolarHBondContact O-CB 3.01Å; S242-I245 PolarHBondContact O-N 3.06Å; S242-M246 VanDerWaalsContact O-CG 3.25Å; S242-M246 WeakPolarHBondContact O-CG 3.49Å; S242-M246 PolarHBondContact O-N 3.4Å |
| 243 | E | 80.3 | Confident | 80.1 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 178 | -70.8 | -78.8 | 145.1 | 0 | 0 | 113 | S186 W188 R189 I239 L240 A241 I245 M246 T247 | S186-E243 VanDerWaalsContact CB-CD 3.44Å; S186-E243 VanDerWaalsContact CB-OE1 3.3Å; S186-E243 WeakPolarHBondContact CB-OE1 3.41Å; S186-E243 PolarHBondContact N-OE1 3.46Å; S186-E243 VanDerWaalsContact N-OE1 3.13Å; S186-E243 PolarHBondContact OG-OE1 3.25Å; S186-E243 PolarHBondContact OG-OE2 3.46Å; W188-E243 HydrophobicContact CH2-CB 3.93Å; W188-E243 HydrophobicContact CH2-CG 4.47Å; W188-E243 HydrophobicContact CZ2-CB 3.34Å; W188-E243 HydrophobicContact CZ2-CG 3.56Å; W188-E243 WeakPolarHBondContact CZ2-OE2 3.49Å; R189-E243 VanDerWaalsContact CZ-CD 3.49Å; R189-E243 IonicContact CZ-OE1 2.62Å; R189-E243 IonicContact CZ-OE2 3.81Å; R189-E243 IonicContact NE-OE1 3.05Å; R189-E243 IonicContact NE-OE2 2.83Å; R189-E243 PolarHBondContact NE-OE2 3.42Å; R189-E243 IonicContact NH1-OE1 3.86Å; R189-E243 IonicContact NH2-OE1 2.82Å; R189-E243 PolarHBondContact NH2-OE1 3.45Å; R189-E243 IonicContact NH2-OE2 2.72Å; R189-E243 PolarHBondContact NH2-OE2 3.19Å; I239-E243 HydrophobicContact CG2-CG 4.37Å; I239-E243 WeakPolarHBondContact O-CB 3.32Å; I239-E243 WeakPolarHBondContact O-CG 3.33Å; I239-E243 PolarHBondContact O-N 3.43Å; L240-E243 PolarHBondContact O-N 3.37Å; A241-E243 VanDerWaalsContact C-N 3.28Å; A241-E243 PolarHBondContact O-N 3.29Å; E243-I245 VanDerWaalsContact C-N 3.28Å; E243-I245 PolarHBondContact O-N 2.85Å; E243-M246 PolarHBondContact O-N 3.08Å; E243-T247 WeakPolarHBondContact O-CG2 3.18Å; E243-T247 PolarHBondContact O-N 3.35Å; E243-T247 PolarHBondContact O-OG1 2.88Å |
| 244 | L | 85.4 | Confident | 81.5 | Confident | 122 Ų | 122 | 61.1 Ų | 61.1 | 64% | 0.639 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -57.5 | -45.5 | 174.3 | -179.5 | 66.2 | 0 | 0 | 0 | 110.7 | L240 A241 M246 T247 S248 | L240-L244 PolarHBondContact O-N 2.92Å; A241-L244 PolarHBondContact O-N 3.31Å; L244-M246 PolarHBondContact O-N 2.93Å; L244-T247 PolarHBondContact O-N 3.41Å; L244-T247 PolarHBondContact O-OG1 3.32Å; L244-S248 PolarHBondContact O-N 2.74Å; L244-S248 PolarHBondContact O-OG 2.92Å |
| 245 | I | 88.1 | Confident | 82.9 | Confident | 80 Ų | 80 | 64.4 Ų | 64.4 | 41% | 0.41 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 176.3 | -66.2 | 163.9 | 0 | 0 | 0 | 110.6 | A241 S242 E243 T247 S248 V249 L275 | A241-I245 VanDerWaalsContact O-CG1 3.29Å; A241-I245 WeakPolarHBondContact O-CG1 3.18Å; A241-I245 PolarHBondContact O-N 2.92Å; S242-I245 WeakPolarHBondContact O-CB 3.01Å; S242-I245 PolarHBondContact O-N 3.06Å; E243-I245 VanDerWaalsContact C-N 3.28Å; E243-I245 PolarHBondContact O-N 2.85Å; I245-T247 VanDerWaalsContact C-N 3.34Å; I245-T247 PolarHBondContact O-N 3.48Å; I245-S248 PolarHBondContact O-N 3.1Å; I245-S248 PolarHBondContact O-OG 3.37Å; I245-V249 HydrophobicContact CG2-CG2 4.39Å; I245-V249 WeakPolarHBondContact O-CB 3.33Å; I245-V249 VanDerWaalsContact O-CG2 3.23Å; I245-V249 WeakPolarHBondContact O-CG2 3.25Å; I245-V249 PolarHBondContact O-N 3.45Å; I245-L275 HydrophobicContact CG2-CD2 3.7Å |
| 246 | M | 87.8 | Confident | 84.2 | Confident | 42 Ų | 42 | 63.1 Ų | 63.1 | 21% | 0.207 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 178.7 | -70.8 | -59.4 | -62.1 | 0 | 0 | 112.2 | S242 E243 L244 V249 D250 F272 | S242-M246 VanDerWaalsContact O-CG 3.25Å; S242-M246 WeakPolarHBondContact O-CG 3.49Å; S242-M246 PolarHBondContact O-N 3.4Å; E243-M246 PolarHBondContact O-N 3.08Å; L244-M246 PolarHBondContact O-N 2.93Å; M246-V249 PolarHBondContact O-N 3.29Å; M246-D250 PolarHBondContact O-N 2.88Å; M246-F272 HydrophobicContact CE-CZ 3.72Å; M246-F272 HydrophobicContact SD-CE1 3.92Å; M246-F272 HydrophobicContact SD-CZ 3.56Å; M246-F272 VanDerWaalsContact SD-CZ 3.56Å |
| 247 | T | 86.6 | Confident | 85.5 | Confident | 38 Ų | 38 | 62.5 Ų | 62.5 | 23% | 0.233 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.8 | -37 | 176.7 | 61.2 | 0 | 0 | 0 | 0 | 112.9 | E243 L244 I245 D250 Q251 | E243-T247 WeakPolarHBondContact O-CG2 3.18Å; E243-T247 PolarHBondContact O-N 3.35Å; E243-T247 PolarHBondContact O-OG1 2.88Å; L244-T247 PolarHBondContact O-N 3.41Å; L244-T247 PolarHBondContact O-OG1 3.32Å; I245-T247 VanDerWaalsContact C-N 3.34Å; I245-T247 PolarHBondContact O-N 3.48Å; T247-D250 PolarHBondContact O-N 2.91Å; T247-Q251 WeakPolarHBondContact O-CG 3.5Å; T247-Q251 PolarHBondContact O-N 3.27Å |
| 248 | S | 88.6 | Confident | 86.6 | Confident | 47 Ų | 47 | 66.5 Ų | 66.5 | 33% | 0.329 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69 | -41 | 175.7 | 67.6 | 0 | 0 | 0 | 0 | 110.7 | L244 I245 D250 Q251 I252 | L244-S248 PolarHBondContact O-N 2.74Å; L244-S248 PolarHBondContact O-OG 2.92Å; I245-S248 PolarHBondContact O-N 3.1Å; I245-S248 PolarHBondContact O-OG 3.37Å; S248-D250 VanDerWaalsContact C-N 3.33Å; S248-D250 PolarHBondContact O-N 3.46Å; S248-Q251 PolarHBondContact O-N 3.09Å; S248-I252 WeakPolarHBondContact O-CB 3.35Å; S248-I252 WeakPolarHBondContact O-CD1 3.44Å; S248-I252 WeakPolarHBondContact O-CG1 3.35Å; S248-I252 PolarHBondContact O-N 3.31Å |
| 249 | V | 92 | Very high | 87.7 | Confident | 3 Ų | 3 | 66.1 Ų | 66.1 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.3 | -46.6 | 171.6 | 170.6 | 0 | 0 | 0 | 0 | 110.4 | I245 M246 Q251 I252 S253 R268 V271 F272 L275 | I245-V249 HydrophobicContact CG2-CG2 4.39Å; I245-V249 WeakPolarHBondContact O-CB 3.33Å; I245-V249 VanDerWaalsContact O-CG2 3.23Å; I245-V249 WeakPolarHBondContact O-CG2 3.25Å; I245-V249 PolarHBondContact O-N 3.45Å; M246-V249 PolarHBondContact O-N 3.29Å; V249-Q251 PolarHBondContact O-N 3.19Å; V249-I252 PolarHBondContact O-N 2.99Å; V249-S253 WeakPolarHBondContact O-CB 3.47Å; V249-S253 PolarHBondContact O-N 3.49Å; V249-S253 PolarHBondContact O-OG 3.02Å; V249-R268 HydrophobicContact CG1-CG 4.29Å; V249-V271 HydrophobicContact CB-CG1 4.3Å; V249-V271 HydrophobicContact CG1-CB 4.43Å; V249-V271 HydrophobicContact CG1-CG1 3.92Å; V249-V271 HydrophobicContact CG2-CG1 4.13Å; V249-F272 HydrophobicContact CB-CZ 4.44Å; V249-F272 HydrophobicContact CG1-CD2 4Å; V249-F272 HydrophobicContact CG1-CE1 4.29Å; V249-F272 HydrophobicContact CG1-CE2 3.6Å; V249-F272 HydrophobicContact CG1-CG 4.48Å; V249-F272 HydrophobicContact CG1-CZ 3.75Å; V249-F272 HydrophobicContact CG2-CE1 4.37Å; V249-L275 HydrophobicContact CG2-CD2 4.05Å |
| 250 | D | 90.6 | Very high | 88.6 | Confident | 54 Ų | 54 | 71.2 Ų | 71.2 | 29% | 0.289 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 177.9 | -70.6 | -17.1 | 0 | 0 | 0 | 112.5 | M246 T247 S248 S253 L254 R268 | M246-D250 PolarHBondContact O-N 2.88Å; T247-D250 PolarHBondContact O-N 2.91Å; S248-D250 VanDerWaalsContact C-N 3.33Å; S248-D250 PolarHBondContact O-N 3.46Å; D250-S253 PolarHBondContact O-N 3.29Å; D250-L254 WeakPolarHBondContact O-CB 3.39Å; D250-L254 PolarHBondContact O-N 3.37Å; D250-R268 IonicContact OD1-CZ 2.99Å; D250-R268 IonicContact OD1-NH1 2.62Å; D250-R268 PolarHBondContact OD1-NH1 3.28Å; D250-R268 IonicContact OD1-NH2 2.75Å; D250-R268 PolarHBondContact OD1-NH2 3.45Å |
| 251 | Q | 92.6 | Very high | 89.5 | Confident | 135 Ų | 135 | 74.6 Ų | 74.6 | 63% | 0.631 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65 | -48 | 179.7 | -72.8 | 177.1 | 14.2 | 0 | 0 | 112.1 | T247 S248 V249 S253 L254 Q255 | T247-Q251 WeakPolarHBondContact O-CG 3.5Å; T247-Q251 PolarHBondContact O-N 3.27Å; S248-Q251 PolarHBondContact O-N 3.09Å; V249-Q251 PolarHBondContact O-N 3.19Å; Q251-S253 VanDerWaalsContact C-N 3.3Å; Q251-S253 PolarHBondContact O-N 3.03Å; Q251-L254 PolarHBondContact O-N 3.04Å; Q251-Q255 PolarHBondContact O-N 3.13Å |
| 252 | I | 93.1 | Very high | 90.3 | Very high | 80 Ų | 80 | 75.5 Ų | 75.5 | 41% | 0.41 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 178.2 | -63.9 | 165.4 | 0 | 0 | 0 | 109.5 | S248 V249 L254 Q255 V256 V271 | S248-I252 WeakPolarHBondContact O-CB 3.35Å; S248-I252 WeakPolarHBondContact O-CD1 3.44Å; S248-I252 WeakPolarHBondContact O-CG1 3.35Å; S248-I252 PolarHBondContact O-N 3.31Å; V249-I252 PolarHBondContact O-N 2.99Å; I252-L254 VanDerWaalsContact C-N 3.34Å; I252-L254 PolarHBondContact O-N 2.85Å; I252-Q255 PolarHBondContact O-N 2.91Å; I252-V256 HydrophobicContact CG2-CG2 4.05Å; I252-V256 WeakPolarHBondContact O-CB 3.49Å; I252-V256 VanDerWaalsContact O-CG2 3.27Å; I252-V256 WeakPolarHBondContact O-CG2 3.22Å; I252-V256 PolarHBondContact O-N 3.35Å; I252-V271 HydrophobicContact CB-CG1 4.36Å; I252-V271 HydrophobicContact CB-CG2 4.43Å; I252-V271 HydrophobicContact CG2-CG1 4.16Å; I252-V271 HydrophobicContact CG2-CG2 3.72Å |
| 253 | S | 93.3 | Very high | 90.9 | Very high | 5 Ų | 5 | 78.1 Ų | 78.1 | 4% | 0.035 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 177.9 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | V249 D250 Q251 Q255 S257 A267 R268 | V249-S253 WeakPolarHBondContact O-CB 3.47Å; V249-S253 PolarHBondContact O-N 3.49Å; V249-S253 PolarHBondContact O-OG 3.02Å; D250-S253 PolarHBondContact O-N 3.29Å; Q251-S253 VanDerWaalsContact C-N 3.3Å; Q251-S253 PolarHBondContact O-N 3.03Å; S253-Q255 VanDerWaalsContact C-N 3.35Å; S253-S257 WeakPolarHBondContact O-CB 3.28Å; S253-S257 PolarHBondContact O-N 2.97Å; S253-A267 WeakPolarHBondContact O-CB 3.48Å; S253-R268 VanDerWaalsContact OG-CA 3.24Å; S253-R268 WeakPolarHBondContact OG-CA 3.48Å |
| 254 | L | 93.2 | Very high | 91.3 | Very high | 95 Ų | 95 | 81.7 Ų | 81.7 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 175.7 | -174.4 | 67.4 | 0 | 0 | 0 | 111.6 | D250 Q251 I252 R258 | D250-L254 WeakPolarHBondContact O-CB 3.39Å; D250-L254 PolarHBondContact O-N 3.37Å; Q251-L254 PolarHBondContact O-N 3.04Å; I252-L254 VanDerWaalsContact C-N 3.34Å; I252-L254 PolarHBondContact O-N 2.85Å; L254-R258 PolarHBondContact O-N 3.47Å; L254-R258 VanDerWaalsContact O-N 3.1Å |
| 255 | Q | 94.1 | Very high | 91.5 | Very high | 107 Ų | 107 | 78 Ų | 78 | 50% | 0.5 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.2 | -49.4 | 176.6 | -179 | 173.5 | -8.2 | 0 | 0 | 111.5 | Q251 I252 S253 S257 R258 E259 | Q251-Q255 PolarHBondContact O-N 3.13Å; I252-Q255 PolarHBondContact O-N 2.91Å; S253-Q255 VanDerWaalsContact C-N 3.35Å; Q255-S257 VanDerWaalsContact C-N 3.34Å; Q255-S257 PolarHBondContact O-N 3.25Å; Q255-R258 WeakPolarHBondContact O-CB 3.29Å; Q255-R258 PolarHBondContact O-N 2.94Å; Q255-R258 VanDerWaalsContact O-N 3.15Å; Q255-E259 HydrophobicContact CG-CG 4.4Å; Q255-E259 VanDerWaalsContact CG-OE1 3.25Å; Q255-E259 WeakPolarHBondContact CG-OE1 3.28Å; Q255-E259 PolarHBondContact NE2-OE1 3.3Å; Q255-E259 WeakPolarHBondContact O-CG 3.34Å; Q255-E259 PolarHBondContact O-N 3.03Å |
| 256 | V | 92.6 | Very high | 91.8 | Very high | 35 Ų | 35 | 79.9 Ų | 79.9 | 21% | 0.212 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | 178.2 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | I252 R258 E259 K260 A267 V271 | I252-V256 HydrophobicContact CG2-CG2 4.05Å; I252-V256 WeakPolarHBondContact O-CB 3.49Å; I252-V256 VanDerWaalsContact O-CG2 3.27Å; I252-V256 WeakPolarHBondContact O-CG2 3.22Å; I252-V256 PolarHBondContact O-N 3.35Å; V256-R258 VanDerWaalsContact C-N 3.3Å; V256-R258 PolarHBondContact O-N 3.1Å; V256-E259 PolarHBondContact O-N 2.87Å; V256-K260 HydrophobicContact CG1-CG 4.21Å; V256-K260 VanDerWaalsContact O-CB 3.3Å; V256-K260 WeakPolarHBondContact O-CB 3.48Å; V256-K260 PolarHBondContact O-N 3.05Å; V256-A267 HydrophobicContact CB-CB 4.37Å; V256-A267 HydrophobicContact CG1-CB 4.14Å; V256-V271 HydrophobicContact CG2-CG2 4.45Å |
| 257 | S | 95.3 | Very high | 92 | Very high | 18 Ų | 18 | 77.9 Ų | 77.9 | 13% | 0.126 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56.5 | -44.9 | 174.2 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | S253 Q255 N261 L262 T264 | S253-S257 WeakPolarHBondContact O-CB 3.28Å; S253-S257 PolarHBondContact O-N 2.97Å; Q255-S257 VanDerWaalsContact C-N 3.34Å; Q255-S257 PolarHBondContact O-N 3.25Å; S257-N261 CarbonylContact O-C 3.57Å; S257-N261 WeakPolarHBondContact O-CA 3.39Å; S257-N261 PolarHBondContact O-N 3.09Å; S257-L262 WeakPolarHBondContact CB-O 3.32Å; S257-L262 PolarHBondContact O-N 3.23Å; S257-L262 PolarHBondContact OG-O 3.15Å; S257-T264 WeakPolarHBondContact OG-CG2 2.95Å |
| 258 | R | 93.6 | Very high | 92.4 | Very high | 186 Ų | 186 | 80 Ų | 80 | 70% | 0.702 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -68 | -43.8 | 177.3 | -170.1 | -172.6 | -60.1 | 165.6 | 2.4 | 112.9 | L254 Q255 V256 | L254-R258 PolarHBondContact O-N 3.47Å; L254-R258 VanDerWaalsContact O-N 3.1Å; Q255-R258 WeakPolarHBondContact O-CB 3.29Å; Q255-R258 PolarHBondContact O-N 2.94Å; Q255-R258 VanDerWaalsContact O-N 3.15Å; V256-R258 VanDerWaalsContact C-N 3.3Å; V256-R258 PolarHBondContact O-N 3.1Å |
| 259 | E | 93.6 | Very high | 92.6 | Very high | 116 Ų | 116 | 82.7 Ų | 82.7 | 54% | 0.542 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -71.3 | -36.7 | -177.5 | -73.8 | 178.3 | -166.6 | 0 | 0 | 112.8 | Q255 V256 | Q255-E259 HydrophobicContact CG-CG 4.4Å; Q255-E259 VanDerWaalsContact CG-OE1 3.25Å; Q255-E259 WeakPolarHBondContact CG-OE1 3.28Å; Q255-E259 PolarHBondContact NE2-OE1 3.3Å; Q255-E259 WeakPolarHBondContact O-CG 3.34Å; Q255-E259 PolarHBondContact O-N 3.03Å; V256-E259 PolarHBondContact O-N 2.87Å |
| 260 | K | 91 | Very high | 92.8 | Very high | 140 Ų | 140 | 86.1 Ų | 86.1 | 61% | 0.609 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -101.5 | 0.5 | -176.1 | -58 | -61.1 | -176.6 | -179.6 | 0 | 113.4 | V256 L262 | V256-K260 HydrophobicContact CG1-CG 4.21Å; V256-K260 VanDerWaalsContact O-CB 3.3Å; V256-K260 WeakPolarHBondContact O-CB 3.48Å; V256-K260 PolarHBondContact O-N 3.05Å; K260-L262 HydrophobicContact CB-CD1 3.67Å; K260-L262 HydrophobicContact CB-CG 3.69Å; K260-L262 HydrophobicContact CG-CD1 4.43Å; K260-L262 PolarHBondContact O-N 2.73Å |
| 261 | N | 90.9 | Very high | 92.9 | Very high | 150 Ų | 150 | 84.4 Ų | 84.4 | 80% | 0.802 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 43.9 | -173.1 | -64.5 | -78.5 | 0 | 0 | 0 | 112.1 | S257 | S257-N261 CarbonylContact O-C 3.57Å; S257-N261 WeakPolarHBondContact O-CA 3.39Å; S257-N261 PolarHBondContact O-N 3.09Å |
| 262 | L | 93 | Very high | 92.9 | Very high | 67 Ų | 67 | 80.7 Ų | 80.7 | 35% | 0.351 | 39% | 0.394 | S | S | . | . | trans | -100.2 | 154.6 | 179.3 | -66.1 | 173.9 | 0 | 0 | 0 | 110.3 | S257 K260 I270 | S257-L262 WeakPolarHBondContact CB-O 3.32Å; S257-L262 PolarHBondContact O-N 3.23Å; S257-L262 PolarHBondContact OG-O 3.15Å; K260-L262 HydrophobicContact CB-CD1 3.67Å; K260-L262 HydrophobicContact CB-CG 3.69Å; K260-L262 HydrophobicContact CG-CD1 4.43Å; K260-L262 PolarHBondContact O-N 2.73Å; L262-I270 HydrophobicContact CD1-CD1 4.14Å | ||
| 263 | E | 93.3 | Very high | 92.8 | Very high | 112 Ų | 112 | 79.8 Ų | 79.8 | 52% | 0.523 | 39% | 0.394 | S | S | . | . | trans | -58.7 | 138.6 | 168.1 | -161.3 | -174.7 | 157.2 | 0 | 0 | 110.3 | S265 K266 A267 | E263-S265 VanDerWaalsContact C-N 3.26Å; E263-S265 WeakPolarHBondContact CG-OG 3.49Å; E263-S265 PolarHBondContact O-N 2.78Å; E263-S265 PolarHBondContact OE1-OG 3.25Å; E263-K266 HydrophobicContact CB-CB 4.44Å; E263-K266 HydrophobicContact CB-CD 4.26Å; E263-K266 HydrophobicContact CB-CG 4.28Å; E263-K266 PolarHBondContact O-N 3.37Å; E263-K266 VanDerWaalsContact O-N 3.17Å; E263-K266 IonicContact OE2-NZ 3.83Å; E263-A267 PolarHBondContact O-N 2.94Å | ||
| 264 | T | 89.2 | Confident | 92.7 | Very high | 83 Ų | 83 | 87 Ų | 87 | 51% | 0.509 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.2 | -34.4 | -174.9 | 49.5 | 0 | 0 | 0 | 0 | 112.7 | S257 R268 | S257-T264 WeakPolarHBondContact OG-CG2 2.95Å; T264-R268 WeakPolarHBondContact O-CB 3.49Å; T264-R268 PolarHBondContact O-N 3.08Å |
| 265 | S | 89.7 | Confident | 92.5 | Very high | 46 Ų | 46 | 85.3 Ų | 85.3 | 32% | 0.322 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.9 | -52 | 173.2 | 53.8 | 0 | 0 | 0 | 0 | 111.5 | E263 A267 R268 D269 | E263-S265 VanDerWaalsContact C-N 3.26Å; E263-S265 WeakPolarHBondContact CG-OG 3.49Å; E263-S265 PolarHBondContact O-N 2.78Å; E263-S265 PolarHBondContact OE1-OG 3.25Å; S265-A267 PolarHBondContact O-N 2.84Å; S265-R268 VanDerWaalsContact O-CB 3.29Å; S265-R268 WeakPolarHBondContact O-CB 3.42Å; S265-R268 PolarHBondContact O-N 3.13Å; S265-R268 VanDerWaalsContact O-N 3.13Å; S265-D269 PolarHBondContact O-N 3.36Å |
| 266 | K | 92.9 | Very high | 92.3 | Very high | 118 Ų | 118 | 86 Ų | 86 | 51% | 0.513 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 178.6 | -65.6 | -179.8 | -176.6 | 170.4 | 0 | 112.5 | E263 R268 D269 I270 | E263-K266 HydrophobicContact CB-CB 4.44Å; E263-K266 HydrophobicContact CB-CD 4.26Å; E263-K266 HydrophobicContact CB-CG 4.28Å; E263-K266 PolarHBondContact O-N 3.37Å; E263-K266 VanDerWaalsContact O-N 3.17Å; E263-K266 IonicContact OE2-NZ 3.83Å; K266-R268 VanDerWaalsContact C-N 3.28Å; K266-R268 PolarHBondContact O-N 2.89Å; K266-D269 PolarHBondContact O-N 3.28Å; K266-I270 WeakPolarHBondContact O-CD1 3.32Å; K266-I270 VanDerWaalsContact O-CG1 3.28Å; K266-I270 WeakPolarHBondContact O-CG1 3.4Å; K266-I270 PolarHBondContact O-N 3.19Å; K266-I270 VanDerWaalsContact O-N 3.1Å |
| 267 | A | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 89.7 Ų | 89.7 | 0% | 0 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S253 V256 E263 S265 I270 V271 | S253-A267 WeakPolarHBondContact O-CB 3.48Å; V256-A267 HydrophobicContact CB-CB 4.37Å; V256-A267 HydrophobicContact CG1-CB 4.14Å; E263-A267 PolarHBondContact O-N 2.94Å; S265-A267 PolarHBondContact O-N 2.84Å; A267-I270 PolarHBondContact O-N 2.85Å; A267-V271 VanDerWaalsContact O-CG2 3.3Å; A267-V271 WeakPolarHBondContact O-CG2 3.5Å; A267-V271 PolarHBondContact O-N 2.97Å |
| 268 | R | 93.9 | Very high | 91.6 | Very high | 82 Ų | 82 | 93.8 Ų | 93.8 | 31% | 0.309 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 176.2 | -166.9 | -166.8 | -174 | 92.1 | 20.1 | 112.3 | V249 D250 S253 T264 S265 K266 I270 V271 F272 | V249-R268 HydrophobicContact CG1-CG 4.29Å; D250-R268 IonicContact OD1-CZ 2.99Å; D250-R268 IonicContact OD1-NH1 2.62Å; D250-R268 PolarHBondContact OD1-NH1 3.28Å; D250-R268 IonicContact OD1-NH2 2.75Å; D250-R268 PolarHBondContact OD1-NH2 3.45Å; S253-R268 VanDerWaalsContact OG-CA 3.24Å; S253-R268 WeakPolarHBondContact OG-CA 3.48Å; T264-R268 WeakPolarHBondContact O-CB 3.49Å; T264-R268 PolarHBondContact O-N 3.08Å; S265-R268 VanDerWaalsContact O-CB 3.29Å; S265-R268 WeakPolarHBondContact O-CB 3.42Å; S265-R268 PolarHBondContact O-N 3.13Å; S265-R268 VanDerWaalsContact O-N 3.13Å; K266-R268 VanDerWaalsContact C-N 3.28Å; K266-R268 PolarHBondContact O-N 2.89Å; R268-I270 VanDerWaalsContact C-N 3.3Å; R268-I270 PolarHBondContact O-N 3Å; R268-V271 PolarHBondContact O-N 3.19Å; R268-F272 HydrophobicContact CG-CD2 3.89Å; R268-F272 HydrophobicContact CG-CE2 3.71Å; R268-F272 VanDerWaalsContact O-CD2 3.3Å; R268-F272 WeakPolarHBondContact O-CD2 3.47Å; R268-F272 PolarHBondContact O-N 3.31Å |
| 269 | D | 94 | Very high | 90.8 | Very high | 104 Ų | 104 | 89.5 Ų | 89.5 | 56% | 0.556 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.7 | -39.8 | 178.5 | -64.2 | -21.6 | 0 | 0 | 0 | 111.8 | S265 K266 F272 S273 | S265-D269 PolarHBondContact O-N 3.36Å; K266-D269 PolarHBondContact O-N 3.28Å; D269-F272 PolarHBondContact O-N 2.87Å; D269-S273 WeakPolarHBondContact O-CB 3.45Å; D269-S273 PolarHBondContact O-N 3.19Å; D269-S273 PolarHBondContact O-OG 3.23Å |
| 270 | I | 94.2 | Very high | 89.8 | Confident | 76 Ų | 76 | 87.6 Ų | 87.6 | 39% | 0.39 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.9 | -48.2 | 174.8 | -67.8 | 165.3 | 0 | 0 | 0 | 110.4 | L262 K266 A267 R268 F272 S273 R274 | L262-I270 HydrophobicContact CD1-CD1 4.14Å; K266-I270 WeakPolarHBondContact O-CD1 3.32Å; K266-I270 VanDerWaalsContact O-CG1 3.28Å; K266-I270 WeakPolarHBondContact O-CG1 3.4Å; K266-I270 PolarHBondContact O-N 3.19Å; K266-I270 VanDerWaalsContact O-N 3.1Å; A267-I270 PolarHBondContact O-N 2.85Å; R268-I270 VanDerWaalsContact C-N 3.3Å; R268-I270 PolarHBondContact O-N 3Å; I270-F272 VanDerWaalsContact C-N 3.34Å; I270-F272 PolarHBondContact O-N 3.03Å; I270-S273 PolarHBondContact O-N 3.39Å; I270-S273 PolarHBondContact O-OG 3.35Å; I270-R274 WeakPolarHBondContact O-CG 3.38Å; I270-R274 PolarHBondContact O-N 3.24Å |
| 271 | V | 94.4 | Very high | 88.4 | Confident | 17 Ų | 17 | 84 Ų | 84 | 10% | 0.103 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 179.3 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | V249 I252 V256 A267 R268 R274 L275 | V249-V271 HydrophobicContact CB-CG1 4.3Å; V249-V271 HydrophobicContact CG1-CB 4.43Å; V249-V271 HydrophobicContact CG1-CG1 3.92Å; V249-V271 HydrophobicContact CG2-CG1 4.13Å; I252-V271 HydrophobicContact CB-CG1 4.36Å; I252-V271 HydrophobicContact CB-CG2 4.43Å; I252-V271 HydrophobicContact CG2-CG1 4.16Å; I252-V271 HydrophobicContact CG2-CG2 3.72Å; V256-V271 HydrophobicContact CG2-CG2 4.45Å; A267-V271 VanDerWaalsContact O-CG2 3.3Å; A267-V271 WeakPolarHBondContact O-CG2 3.5Å; A267-V271 PolarHBondContact O-N 2.97Å; R268-V271 PolarHBondContact O-N 3.19Å; V271-R274 PolarHBondContact O-N 3.45Å; V271-L275 WeakPolarHBondContact O-CB 3.34Å; V271-L275 PolarHBondContact O-N 3.49Å |
| 272 | F | 92.4 | Very high | 86.8 | Confident | 58 Ų | 58 | 82.8 Ų | 82.8 | 25% | 0.254 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 174.3 | -88.6 | -66 | 0 | 0 | 0 | 112.5 | M246 V249 R268 D269 I270 R274 L275 L276 | M246-F272 HydrophobicContact CE-CZ 3.72Å; M246-F272 HydrophobicContact SD-CE1 3.92Å; M246-F272 HydrophobicContact SD-CZ 3.56Å; M246-F272 VanDerWaalsContact SD-CZ 3.56Å; V249-F272 HydrophobicContact CB-CZ 4.44Å; V249-F272 HydrophobicContact CG1-CD2 4Å; V249-F272 HydrophobicContact CG1-CE1 4.29Å; V249-F272 HydrophobicContact CG1-CE2 3.6Å; V249-F272 HydrophobicContact CG1-CG 4.48Å; V249-F272 HydrophobicContact CG1-CZ 3.75Å; V249-F272 HydrophobicContact CG2-CE1 4.37Å; R268-F272 HydrophobicContact CG-CD2 3.89Å; R268-F272 HydrophobicContact CG-CE2 3.71Å; R268-F272 VanDerWaalsContact O-CD2 3.3Å; R268-F272 WeakPolarHBondContact O-CD2 3.47Å; R268-F272 PolarHBondContact O-N 3.31Å; D269-F272 PolarHBondContact O-N 2.87Å; I270-F272 VanDerWaalsContact C-N 3.34Å; I270-F272 PolarHBondContact O-N 3.03Å; F272-R274 PolarHBondContact O-N 2.89Å; F272-L275 PolarHBondContact O-N 3.5Å; F272-L276 WeakPolarHBondContact O-CB 3.26Å; F272-L276 WeakPolarHBondContact O-CG 3.39Å; F272-L276 PolarHBondContact O-N 3.27Å |
| 273 | S | 90.3 | Very high | 85 | Confident | 60 Ų | 60 | 85.7 Ų | 85.7 | 42% | 0.42 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.6 | -38.5 | 180 | 72.5 | 0 | 0 | 0 | 0 | 111.9 | D269 I270 Q277 | D269-S273 WeakPolarHBondContact O-CB 3.45Å; D269-S273 PolarHBondContact O-N 3.19Å; D269-S273 PolarHBondContact O-OG 3.23Å; I270-S273 PolarHBondContact O-N 3.39Å; I270-S273 PolarHBondContact O-OG 3.35Å; S273-Q277 WeakPolarHBondContact O-CB 3.34Å; S273-Q277 PolarHBondContact O-N 2.73Å |
| 274 | R | 90.7 | Very high | 83.1 | Confident | 157 Ų | 157 | 85.4 Ų | 85.4 | 59% | 0.592 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -72 | -41.9 | 177.6 | -66.7 | -57.6 | -176.7 | 123.9 | -1.7 | 112.7 | I270 V271 F272 L276 Q277 L278 | I270-R274 WeakPolarHBondContact O-CG 3.38Å; I270-R274 PolarHBondContact O-N 3.24Å; V271-R274 PolarHBondContact O-N 3.45Å; F272-R274 PolarHBondContact O-N 2.89Å; R274-L276 VanDerWaalsContact C-N 3.34Å; R274-Q277 PolarHBondContact O-N 3.15Å; R274-L278 WeakPolarHBondContact O-CG 3.37Å; R274-L278 PolarHBondContact O-N 3.35Å |
| 275 | L | 90.8 | Very high | 81.3 | Confident | 59 Ų | 59 | 89.5 Ų | 89.5 | 31% | 0.309 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 175.4 | -177.5 | 65.2 | 0 | 0 | 0 | 110.8 | I245 V249 V271 F272 Q277 L278 M279 | I245-L275 HydrophobicContact CG2-CD2 3.7Å; V249-L275 HydrophobicContact CG2-CD2 4.05Å; V271-L275 WeakPolarHBondContact O-CB 3.34Å; V271-L275 PolarHBondContact O-N 3.49Å; F272-L275 PolarHBondContact O-N 3.5Å; L275-Q277 VanDerWaalsContact C-N 3.33Å; L275-Q277 PolarHBondContact O-N 3.05Å; L275-L278 PolarHBondContact O-N 3.23Å; L275-M279 VanDerWaalsContact O-CG 3.31Å; L275-M279 WeakPolarHBondContact O-CG 3.5Å; L275-M279 PolarHBondContact O-N 3.41Å |
| 276 | L | 87.9 | Confident | 79.7 | Confident | 121 Ų | 121 | 94.3 Ų | 94.3 | 63% | 0.634 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.8 | -40.8 | 176.5 | -70.2 | 172.4 | 0 | 0 | 0 | 112 | F272 R274 M279 S280 | F272-L276 WeakPolarHBondContact O-CB 3.26Å; F272-L276 WeakPolarHBondContact O-CG 3.39Å; F272-L276 PolarHBondContact O-N 3.27Å; R274-L276 VanDerWaalsContact C-N 3.34Å; L276-M279 PolarHBondContact O-N 3.39Å; L276-S280 WeakPolarHBondContact O-CB 3.36Å; L276-S280 PolarHBondContact O-N 2.82Å |
| 277 | Q | 87.9 | Confident | 77.6 | Confident | 114 Ų | 114 | 93.2 Ų | 93.2 | 53% | 0.533 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 176.4 | -172.5 | 176.5 | 16.4 | 0 | 0 | 112 | S273 R274 L275 S280 T281 | S273-Q277 WeakPolarHBondContact O-CB 3.34Å; S273-Q277 PolarHBondContact O-N 2.73Å; R274-Q277 PolarHBondContact O-N 3.15Å; L275-Q277 VanDerWaalsContact C-N 3.33Å; L275-Q277 PolarHBondContact O-N 3.05Å; Q277-S280 PolarHBondContact O-N 2.64Å; Q277-T281 WeakPolarHBondContact O-CG2 3.47Å; Q277-T281 PolarHBondContact O-N 2.92Å; Q277-T281 PolarHBondContact O-OG1 3.16Å; Q277-T281 VanDerWaalsContact O-OG1 3.12Å |
| 278 | L | 85.7 | Confident | 75.8 | Confident | 103 Ų | 103 | 99.1 Ų | 99.1 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 178.5 | -73.6 | 168.6 | 0 | 0 | 0 | 112 | R274 L275 S280 T281 E282 | R274-L278 WeakPolarHBondContact O-CG 3.37Å; R274-L278 PolarHBondContact O-N 3.35Å; L275-L278 PolarHBondContact O-N 3.23Å; L278-S280 VanDerWaalsContact C-N 3.28Å; L278-S280 PolarHBondContact O-N 2.82Å; L278-T281 WeakPolarHBondContact CA-OG1 3.46Å; L278-T281 PolarHBondContact O-N 3.44Å; L278-T281 PolarHBondContact O-OG1 3.22Å; L278-E282 PolarHBondContact O-N 2.62Å; L278-E282 VanDerWaalsContact O-N 3.08Å |
| 279 | M | 77.9 | Confident | 74.3 | Confident | 96 Ų | 96 | 100.6 Ų | 100.6 | 47% | 0.473 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 176.4 | -65 | -59.5 | -64.6 | 0 | 0 | 111.3 | L275 L276 I283 | L275-M279 VanDerWaalsContact O-CG 3.31Å; L275-M279 WeakPolarHBondContact O-CG 3.5Å; L275-M279 PolarHBondContact O-N 3.41Å; L276-M279 PolarHBondContact O-N 3.39Å; M279-I283 VanDerWaalsContact O-CD1 3.23Å; M279-I283 WeakPolarHBondContact O-CD1 3.33Å; M279-I283 WeakPolarHBondContact O-CG1 3.32Å; M279-I283 PolarHBondContact O-N 3.16Å |
| 280 | S | 71.3 | Confident | 72.7 | Confident | 76 Ų | 76 | 100 Ų | 100 | 53% | 0.531 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68 | -34.6 | 177.8 | -169.6 | 0 | 0 | 0 | 0 | 112.9 | L276 Q277 L278 T284 | L276-S280 WeakPolarHBondContact O-CB 3.36Å; L276-S280 PolarHBondContact O-N 2.82Å; Q277-S280 PolarHBondContact O-N 2.64Å; L278-S280 VanDerWaalsContact C-N 3.28Å; L278-S280 PolarHBondContact O-N 2.82Å; S280-T284 PolarHBondContact O-OG1 3.06Å |
| 281 | T | 61.5 | Low | 71.1 | Confident | 64 Ų | 64 | 103 Ų | 103 | 39% | 0.393 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -76.9 | -39.2 | -179.3 | 46.1 | 0 | 0 | 0 | 0 | 112.8 | Q277 L278 T284 E285 | Q277-T281 WeakPolarHBondContact O-CG2 3.47Å; Q277-T281 PolarHBondContact O-N 2.92Å; Q277-T281 PolarHBondContact O-OG1 3.16Å; Q277-T281 VanDerWaalsContact O-OG1 3.12Å; L278-T281 WeakPolarHBondContact CA-OG1 3.46Å; L278-T281 PolarHBondContact O-N 3.44Å; L278-T281 PolarHBondContact O-OG1 3.22Å; T281-T284 PolarHBondContact O-N 3.37Å; T281-T284 PolarHBondContact O-OG1 2.98Å; T281-E285 PolarHBondContact O-N 3.32Å |
| 282 | E | 58.1 | Low | 69.6 | Low | 125 Ų | 125 | 109.5 Ų | 109.5 | 58% | 0.584 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -71.8 | -32.5 | -179.5 | -73.8 | -174.6 | 162.7 | 0 | 0 | 112.8 | L278 T284 I286 | L278-E282 PolarHBondContact O-N 2.62Å; L278-E282 VanDerWaalsContact O-N 3.08Å; E282-T284 VanDerWaalsContact C-N 3.31Å; E282-T284 PolarHBondContact O-N 3.2Å; E282-I286 WeakPolarHBondContact O-CG1 3.33Å |
| 283 | I | 56 | Low | 68.1 | Low | 128 Ų | 128 | 113.3 Ų | 113.3 | 66% | 0.656 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.5 | -26.6 | 178.5 | -63.8 | 166.4 | 0 | 0 | 0 | 111.8 | M279 | M279-I283 VanDerWaalsContact O-CD1 3.23Å; M279-I283 WeakPolarHBondContact O-CD1 3.33Å; M279-I283 WeakPolarHBondContact O-CG1 3.32Å; M279-I283 PolarHBondContact O-N 3.16Å |
| 284 | T | 52.8 | Low | 66.7 | Low | 107 Ų | 107 | 115.8 Ų | 115.8 | 66% | 0.656 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -85.5 | -19.9 | 178.2 | 39.7 | 0 | 0 | 0 | 0 | 115.1 | S280 T281 E282 | S280-T284 PolarHBondContact O-OG1 3.06Å; T281-T284 PolarHBondContact O-N 3.37Å; T281-T284 PolarHBondContact O-OG1 2.98Å; E282-T284 VanDerWaalsContact C-N 3.31Å; E282-T284 PolarHBondContact O-N 3.2Å |
| 285 | E | 51.7 | Low | 65.3 | Low | 168 Ų | 168 | 115.7 Ų | 115.7 | 79% | 0.785 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -95.7 | -10.9 | -176.2 | -76.2 | -170.3 | 166.9 | 0 | 0 | 114.6 | T281 S287 | T281-E285 PolarHBondContact O-N 3.32Å; E285-S287 PolarHBondContact O-N 3.07Å |
| 286 | I | 55.9 | Low | 63.8 | Low | 147 Ų | 147 | 124.1 Ų | 124.1 | 75% | 0.754 | 66% | 0.663 | S | S | * | * | trans | -82.7 | 53.1 | 170.6 | -45.8 | 168.7 | 0 | 0 | 0 | 109.5 | E282 T288 | E282-I286 WeakPolarHBondContact O-CG1 3.33Å; I286-T288 PolarHBondContact O-N 2.88Å | ||
| 287 | S | 49.7 | Very low | 62.4 | Low | 96 Ų | 96 | 123.6 Ų | 123.6 | 67% | 0.671 | 67% | 0.669 | S | S | * | * | trans | -71.1 | 108.9 | 160.5 | 159.7 | 0 | 0 | 0 | 0 | 106.8 | E285 P289 | E285-S287 PolarHBondContact O-N 3.07Å; S287-P289 VanDerWaalsContact O-N 3.17Å | ||
| 288 | T | 55.7 | Low | 60.7 | Low | 123 Ų | 123 | 125.5 Ų | 125.5 | 76% | 0.755 | 68% | 0.683 | S | S | * | * | trans | -41.8 | 123.3 | 165.9 | 11.7 | 0 | 0 | 0 | 0 | 109.9 | I286 S290 | I286-T288 PolarHBondContact O-N 2.88Å; T288-S290 PolarHBondContact O-N 3.13Å; T288-S290 VanDerWaalsContact O-N 3.09Å | ||
| 289 | P | 62.3 | Low | 59.1 | Low | 114 Ų | 114 | 125 Ų | 125 | 74% | 0.74 | 69% | 0.693 | S | S | * | * | trans | -62.4 | 118.9 | 174.6 | 23.5 | -30.6 | 0 | 0 | 0 | 108.4 | S287 L291 | S287-P289 VanDerWaalsContact O-N 3.17Å; P289-L291 PolarHBondContact O-N 3.25Å | ||
| 290 | S | 59.7 | Low | 57.7 | Low | 91 Ų | 91 | 127.4 Ų | 127.4 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | trans | -62.7 | 107.4 | 173.3 | 175.2 | 0 | 0 | 0 | 0 | 109.4 | T288 H292 | T288-S290 PolarHBondContact O-N 3.13Å; T288-S290 VanDerWaalsContact O-N 3.09Å; S290-H292 PolarHBondContact O-N 3.03Å; S290-H292 PolarHBondContact OG-CD2 2.94Å; S290-H292 PolarHBondContact OG-NE2 3.23Å | ||
| 291 | L | 60 | Low | 57.1 | Low | 140 Ų | 140 | 133 Ų | 133 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | trans | -83.1 | 89.9 | 172.8 | -100.3 | 166.2 | 0 | 0 | 0 | 109.7 | P289 I293 | P289-L291 PolarHBondContact O-N 3.25Å; L291-I293 HydrophobicContact CB-CD1 4.28Å; L291-I293 HydrophobicContact CB-CG1 4.16Å; L291-I293 HydrophobicContact CD1-CD1 4.37Å; L291-I293 HydrophobicContact CD2-CD1 3.8Å; L291-I293 HydrophobicContact CD2-CG1 3.67Å; L291-I293 HydrophobicContact CG-CD1 4.37Å; L291-I293 HydrophobicContact CG-CG1 4.44Å; L291-I293 PolarHBondContact O-N 2.84Å; L291-I293 VanDerWaalsContact O-N 3.09Å | ||
| 292 | H | 63.9 | Low | 56.8 | Low | 152 Ų | 152 | 136.5 Ų | 136.5 | 70% | 0.704 | 76% | 0.76 | S | S | * | * | trans | -77.5 | 81.9 | 167.2 | -79.7 | -89.5 | 0 | 0 | 0 | 110.3 | S290 | S290-H292 PolarHBondContact O-N 3.03Å; S290-H292 PolarHBondContact OG-CD2 2.94Å; S290-H292 PolarHBondContact OG-NE2 3.23Å | ||
| 293 | I | 61 | Low | 56.8 | Low | 139 Ų | 139 | 137.1 Ų | 137.1 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -88.3 | -9.4 | 179.4 | -58.2 | 176.9 | 0 | 0 | 0 | 113 | L291 | L291-I293 HydrophobicContact CB-CD1 4.28Å; L291-I293 HydrophobicContact CB-CG1 4.16Å; L291-I293 HydrophobicContact CD1-CD1 4.37Å; L291-I293 HydrophobicContact CD2-CD1 3.8Å; L291-I293 HydrophobicContact CD2-CG1 3.67Å; L291-I293 HydrophobicContact CG-CD1 4.37Å; L291-I293 HydrophobicContact CG-CG1 4.44Å; L291-I293 PolarHBondContact O-N 2.84Å; L291-I293 VanDerWaalsContact O-N 3.09Å | ||
| 294 | S | 61.3 | Low | 56.8 | Low | 111 Ų | 111 | 137.6 Ų | 137.6 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -120.3 | 70.1 | -169.6 | 40 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 295 | Q | 60.1 | Low | 57.1 | Low | 155 Ų | 155 | 139.4 Ų | 139.4 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | trans | -138.4 | 21.2 | 163.9 | -67.9 | -169.5 | 4.2 | 0 | 0 | 115.1 | ||||
| 296 | Y | 60.3 | Low | 57.4 | Low | 237 Ų | 237 | 137.6 Ų | 137.6 | 93% | 0.929 | 78% | 0.783 | S | S | * | * | trans | -125.1 | 74.7 | 168.3 | -67.3 | -77.5 | 0 | 0 | 0 | 110.1 | ||||
| 297 | S | 58.3 | Low | 57.5 | Low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -126.3 | 110.4 | 162 | 176.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 298 | N | 52.6 | Low | 58 | Low | 155 Ų | 155 | 139.9 Ų | 139.9 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | trans | 63.7 | 88.2 | 162.3 | -96.6 | -38.6 | 0 | 0 | 0 | 119.1 | ||||
| 299 | A | 50.7 | Low | 58.2 | Low | 91 Ų | 91 | 141.2 Ų | 141.2 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -99.5 | 106.3 | 134.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 300 | N | 49 | Very low | 57.9 | Low | 148 Ų | 148 | 143.4 Ų | 143.4 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | -171.1 | 147.7 | 117.9 | -98.2 | -20.3 | 0 | 0 | 0 | 112.8 | |||||
| 301 | P | 57.8 | Low | 57.7 | Low | 193 Ų | 193 | 148.2 Ų | 148.2 | 100% | 1.253 | 82% | 0.815 | S | S | * | * | trans | -76.7 | 0 | -172.7 | 33.2 | -37 | 0 | 0 | 0 | 114.7 |
Retrieved 301 of 301 residues in 37.8 ms
(Link to these results)