| 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 | 43.4 | Very low | 50.8 | Low | 225 Ų | 225 | 150.9 Ų | 150.9 | 100% | 1.108 | 84% | 0.844 | S | S | * | * | 0 | 93.3 | 0 | -81.5 | -99 | 157 | 0 | 0 | 109.2 | |||||
| 2 | P | 46.1 | Very low | 50.6 | Low | 122 Ų | 122 | 155.1 Ų | 155.1 | 79% | 0.792 | 85% | 0.847 | S | S | * | * | trans | -104.4 | 128.1 | 164.2 | 32.3 | -19.7 | 0 | 0 | 0 | 109.2 | ||||
| 3 | K | 53.2 | Low | 50.4 | Low | 192 Ų | 192 | 152.7 Ų | 152.7 | 84% | 0.835 | 85% | 0.848 | S | S | * | * | trans | -116.8 | 128.7 | 169 | -74.2 | -174.7 | -179.3 | 176.8 | 0 | 108.9 | ||||
| 4 | F | 45.4 | Very low | 50.4 | Low | 202 Ų | 202 | 149.1 Ų | 149.1 | 89% | 0.886 | 84% | 0.839 | S | S | * | * | trans | -56.3 | 149.4 | 177.1 | -66.5 | -94.7 | 0 | 0 | 0 | 112.6 | ||||
| 5 | L | 61.1 | Low | 50.8 | Low | 168 Ų | 168 | 147.8 Ų | 147.8 | 88% | 0.88 | 84% | 0.836 | S | S | * | * | trans | -122.8 | 138.6 | 154.1 | -74.7 | 172.9 | 0 | 0 | 0 | 108.5 | ||||
| 6 | P | 58.3 | Low | 51.1 | Low | 116 Ų | 116 | 146.8 Ų | 146.8 | 75% | 0.753 | 84% | 0.837 | S | S | * | * | trans | -86.9 | 153.3 | 178.3 | 34.5 | -31.4 | 0 | 0 | 0 | 112.2 | ||||
| 7 | S | 52.1 | Low | 50.8 | Low | 115 Ų | 115 | 145.9 Ų | 145.9 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | -58 | 142.7 | 159.6 | -69 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 8 | D | 50.8 | Low | 50.6 | Low | 168 Ų | 168 | 148.9 Ų | 148.9 | 90% | 0.898 | 84% | 0.837 | S | S | * | * | trans | -134.5 | 143.2 | 149.9 | -92.5 | -34.8 | 0 | 0 | 0 | 111.3 | ||||
| 9 | S | 53.9 | Low | 50.4 | Low | 103 Ų | 103 | 148.1 Ų | 148.1 | 72% | 0.72 | 84% | 0.836 | S | S | * | * | trans | -89.1 | 156.7 | -164.2 | 161.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 10 | E | 49.5 | Very low | 50 | Low | 171 Ų | 171 | 146.5 Ų | 146.5 | 80% | 0.799 | 84% | 0.835 | S | S | * | * | trans | -24.3 | 141.7 | 164.1 | -67 | 169.5 | 138.2 | 0 | 0 | 118 | ||||
| 11 | G | 45.3 | Very low | 49.8 | Very low | 78 Ų | 78 | 148.2 Ų | 148.2 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | -164.6 | 94.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 12 | F | 48.5 | Very low | 49.6 | Very low | 201 Ų | 201 | 143 Ų | 143 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | -64.7 | 133.4 | 169.1 | -78.9 | -97.1 | 0 | 0 | 0 | 110.9 | ||||
| 13 | S | 47.1 | Very low | 49.8 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -157.7 | 134 | 149.6 | -168.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 14 | S | 50.2 | Low | 49.1 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | -72.1 | 142.3 | -171.3 | -54.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 15 | T | 56.8 | Low | 49.1 | Very low | 129 Ų | 129 | 137 Ų | 137 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | 164.6 | 134.6 | 124.2 | 35 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 16 | P | 55.9 | Low | 48.3 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | -86.9 | 123.9 | 166.1 | 30.6 | -28 | 0 | 0 | 0 | 111.1 | ||||
| 17 | V | 45.5 | Very low | 47.3 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | -68 | 129.3 | 171 | 171.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 18 | K | 48.1 | Very low | 46.8 | Very low | 199 Ų | 199 | 137.6 Ų | 137.6 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | trans | -84.1 | 110.3 | 175.6 | -173.7 | 168 | 172 | 171.9 | 0 | 109 | ||||
| 19 | T | 47.3 | Very low | 46.5 | Very low | 133 Ų | 133 | 139 Ų | 139 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | trans | -79.6 | 113.2 | 171.3 | 47.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 20 | S | 42.3 | Very low | 45.7 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -104.7 | 116 | 165.1 | 53.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 21 | Q | 45.4 | Very low | 45.5 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | -140.5 | 128.8 | 170.5 | -171.3 | 179.4 | 18.1 | 0 | 0 | 103.1 | ||||
| 22 | D | 39.8 | Very low | 45.2 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | cis | 179.6 | 164.4 | 3.9 | -169.3 | 16.5 | 0 | 0 | 0 | 105.1 | ||||
| 23 | K | 48.4 | Very low | 44.8 | Very low | 159 Ų | 159 | 141 Ų | 141 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | trans | 76.6 | 146.4 | 159.2 | -47.1 | -175.2 | -172.2 | -175.6 | 0 | 118.7 | ||||
| 24 | D | 39.8 | Very low | 44.4 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 68% | 0.684 | 76% | 0.762 | S | S | * | * | cis | -167.6 | 145.1 | -16.4 | -103.4 | -36.7 | 0 | 0 | 0 | 106.4 | ||||
| 25 | V | 44.9 | Very low | 44.4 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 63% | 0.63 | 77% | 0.77 | S | S | * | * | trans | 35.7 | 110.3 | 141.6 | -169.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 26 | H | 44.3 | Very low | 44 | Very low | 202 Ų | 202 | 141 Ų | 141 | 94% | 0.935 | 77% | 0.772 | S | S | * | * | -144.9 | 130.5 | 128.8 | -86 | -61.6 | 0 | 0 | 0 | 111.9 | |||||
| 27 | T | 38.2 | Very low | 44 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | -80.6 | 153.4 | -177.5 | -51.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 28 | A | 40.3 | Very low | 43.9 | Very low | 81 Ų | 81 | 138.7 Ų | 138.7 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | trans | 114.3 | 105.8 | 140.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 29 | K | 45.2 | Very low | 44.3 | Very low | 197 Ų | 197 | 136.7 Ų | 136.7 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | 44.2 | 122.7 | 124.9 | -57.4 | -178.6 | -177.5 | -178.7 | 0 | 118.6 | |||||
| 30 | Y | 36.3 | Very low | 44.3 | Very low | 200 Ų | 200 | 137.3 Ų | 137.3 | 78% | 0.784 | 75% | 0.748 | S | S | * | * | 153.1 | 115.1 | 97.9 | -149.9 | -106.3 | 0 | 0 | 0 | 111.1 | |||||
| 31 | L | 45.9 | Very low | 44.8 | Very low | 125 Ų | 125 | 139 Ų | 139 | 65% | 0.654 | 75% | 0.748 | S | S | * | * | trans | 37.1 | 123.7 | 139.2 | -79 | 160 | 0 | 0 | 0 | 122.1 | ||||
| 32 | D | 39.5 | Very low | 45.3 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 66% | 0.658 | 75% | 0.747 | S | S | * | * | 100.5 | 132.2 | 114 | -157.7 | 38.8 | 0 | 0 | 0 | 120.6 | |||||
| 33 | N | 39.6 | Very low | 45.9 | Very low | 147 Ų | 147 | 140.2 Ų | 140.2 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | 67.1 | 135.4 | 156.7 | -76.9 | -21.1 | 0 | 0 | 0 | 123 | ||||
| 34 | G | 38.2 | Very low | 46.3 | Very low | 72 Ų | 72 | 138.1 Ų | 138.1 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | trans | 135.7 | 83.2 | 137.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | V36 | G34-V36 PolarHBondContact O-N 2.82Š| ||
| 35 | V | 51.3 | Low | 47.1 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | trans | -63 | 116.5 | 152.8 | 167.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 36 | V | 47.9 | Very low | 47.7 | Very low | 137 Ų | 137 | 143.7 Ų | 143.7 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -148.6 | 123 | 147.2 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | G34 | G34-V36 PolarHBondContact O-N 2.82Š| ||
| 37 | S | 55.9 | Low | 48.3 | Very low | 96 Ų | 96 | 138.8 Ų | 138.8 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | trans | -63.7 | 132.6 | 165.6 | -170.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 38 | D | 44 | Very low | 49.4 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 65% | 0.647 | 77% | 0.768 | S | S | * | * | trans | -158.9 | 127.4 | 140.2 | -140.9 | -5.6 | 0 | 0 | 0 | 112.3 | E40 | D38-E40 HydrophobicContact CB-CG 4Å; D38-E40 PolarHBondContact O-N 2.99Å | ||
| 39 | D | 56.7 | Low | 50.1 | Low | 156 Ų | 156 | 140.4 Ų | 140.4 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | -86.5 | 82.5 | 175.6 | -67.3 | -50.8 | 0 | 0 | 0 | 107.5 | ||||
| 40 | E | 47.2 | Very low | 50.4 | Low | 146 Ų | 146 | 140.6 Ų | 140.6 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | trans | -112.9 | 95.5 | 178.9 | -56.8 | -150.8 | 130.7 | 0 | 0 | 112.1 | D38 T42 | D38-E40 HydrophobicContact CB-CG 4Å; D38-E40 PolarHBondContact O-N 2.99Å; E40-T42 PolarHBondContact O-N 3.16Å; E40-T42 PolarHBondContact O-OG1 2.92Å; E40-T42 VanDerWaalsContact O-OG1 3.14Å | ||
| 41 | D | 52.5 | Low | 51.6 | Low | 151 Ų | 151 | 138.5 Ų | 138.5 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | trans | -41.4 | 95 | 169.7 | -145.1 | -12.9 | 0 | 0 | 0 | 112.4 | F43 | D41-F43 PolarHBondContact O-N 3.04Š| ||
| 42 | T | 55.7 | Low | 52.1 | Low | 134 Ų | 134 | 139.7 Ų | 139.7 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -85.3 | 21.9 | -173.3 | -9 | 0 | 0 | 0 | 0 | 113.8 | E40 | E40-T42 PolarHBondContact O-N 3.16Å; E40-T42 PolarHBondContact O-OG1 2.92Å; E40-T42 VanDerWaalsContact O-OG1 3.14Å | ||
| 43 | F | 52 | Low | 52.7 | Low | 192 Ų | 192 | 138.2 Ų | 138.2 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | trans | -107.2 | 61.6 | 177.1 | -85.4 | -85.3 | 0 | 0 | 0 | 111.7 | D41 | D41-F43 PolarHBondContact O-N 3.04Š| ||
| 44 | S | 57.8 | Low | 53.4 | Low | 115 Ų | 115 | 138.9 Ų | 138.9 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -158.2 | 49.6 | 166.1 | -88.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 45 | M | 55.1 | Low | 53.8 | Low | 177 Ų | 177 | 143.6 Ų | 143.6 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | trans | -120.6 | 28.2 | 171.3 | -68.8 | -126 | -55.4 | 0 | 0 | 114.6 | ||||
| 46 | L | 57.7 | Low | 53.9 | Low | 172 Ų | 172 | 143.9 Ų | 143.9 | 90% | 0.901 | 77% | 0.768 | S | S | * | * | trans | -112.9 | 75.5 | 161 | -68.4 | 173.6 | 0 | 0 | 0 | 108.1 | ||||
| 47 | S | 57.6 | Low | 53.8 | Low | 99 Ų | 99 | 144.4 Ų | 144.4 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | trans | -54.3 | 130 | 160.5 | -60 | 0 | 0 | 0 | 0 | 108.2 | I49 | S47-I49 PolarHBondContact O-N 3.37Š| ||
| 48 | P | 60.6 | Low | 53.3 | Low | 105 Ų | 105 | 145.9 Ų | 145.9 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | trans | -61.2 | 110.5 | 166.7 | -19 | 31.4 | 0 | 0 | 0 | 108 | Y50 | P48-Y50 HydrophobicContact CB-CD2 3.97Å; P48-Y50 HydrophobicContact CB-CE2 3.95Å; P48-Y50 PolarHBondContact O-N 3.38Å | ||
| 49 | I | 56 | Low | 53.1 | Low | 137 Ų | 137 | 147.8 Ų | 147.8 | 70% | 0.703 | 76% | 0.76 | S | S | * | * | trans | -70.3 | 90.8 | 165.7 | -58.5 | 172.4 | 0 | 0 | 0 | 105.2 | S47 H51 | S47-I49 PolarHBondContact O-N 3.37Å; I49-H51 WeakPolarHBondContact CG2-NE2 3.36Å; I49-H51 PolarHBondContact O-N 3Å; I49-H51 VanDerWaalsContact O-N 3.15Å | ||
| 50 | Y | 51.4 | Low | 52.1 | Low | 200 Ų | 200 | 150.4 Ų | 150.4 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | trans | -66.5 | 106.6 | 165.4 | -88.3 | -92.3 | 0 | 0 | 0 | 107.2 | P48 D52 | P48-Y50 HydrophobicContact CB-CD2 3.97Å; P48-Y50 HydrophobicContact CB-CE2 3.95Å; P48-Y50 PolarHBondContact O-N 3.38Å; Y50-D52 PolarHBondContact O-N 3.19Å | ||
| 51 | H | 61 | Low | 51.9 | Low | 156 Ų | 156 | 149.5 Ų | 149.5 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | -82.5 | 90.4 | 160.6 | -72.4 | -73.9 | 0 | 0 | 0 | 107.4 | I49 S53 | I49-H51 WeakPolarHBondContact CG2-NE2 3.36Å; I49-H51 PolarHBondContact O-N 3Å; I49-H51 VanDerWaalsContact O-N 3.15Å; H51-S53 PolarHBondContact O-N 2.92Å | ||
| 52 | D | 55.7 | Low | 51.7 | Low | 150 Ų | 150 | 148.3 Ų | 148.3 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | -74.2 | 100.6 | 152 | -97.9 | -15.6 | 0 | 0 | 0 | 106.1 | Y50 | Y50-D52 PolarHBondContact O-N 3.19Š| ||
| 53 | S | 52.2 | Low | 50.7 | Low | 92 Ų | 92 | 148.8 Ų | 148.8 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | trans | -133 | 103.5 | 161.1 | -76.3 | 0 | 0 | 0 | 0 | 106.5 | H51 E55 | H51-S53 PolarHBondContact O-N 2.92Å; S53-E55 PolarHBondContact O-N 2.92Å; S53-E55 VanDerWaalsContact O-N 3.13Å | ||
| 54 | D | 54.4 | Low | 50 | Low | 161 Ų | 161 | 149.1 Ų | 149.1 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | -51.9 | 107.9 | 164.3 | -65.2 | -48.6 | 0 | 0 | 0 | 108.9 | ||||
| 55 | E | 48.1 | Very low | 49 | Very low | 172 Ų | 172 | 151.8 Ų | 151.8 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -106.5 | 108.4 | 162.9 | -73.2 | -71.8 | 151.8 | 0 | 0 | 107 | S53 E57 | S53-E55 PolarHBondContact O-N 2.92Å; S53-E55 VanDerWaalsContact O-N 3.13Å; E55-E57 PolarHBondContact O-N 3Å; E55-E57 VanDerWaalsContact O-N 3.16Å | ||
| 56 | E | 52 | Low | 48 | Very low | 153 Ų | 153 | 149.8 Ų | 149.8 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | trans | -46.1 | 115.9 | 168 | -84.9 | -167.6 | 134.9 | 0 | 0 | 110.4 | Q58 | E56-Q58 PolarHBondContact O-N 2.82Å; E56-Q58 PolarHBondContact OE1-NE2 3.39Å; E56-Q58 PolarHBondContact OE2-NE2 3.16Å | ||
| 57 | E | 46.9 | Very low | 47.3 | Very low | 147 Ų | 147 | 146.9 Ų | 146.9 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | trans | -74.3 | 73.6 | 170.6 | -166.2 | 175.3 | -168.7 | 0 | 0 | 110 | E55 K59 | E55-E57 PolarHBondContact O-N 3Å; E55-E57 VanDerWaalsContact O-N 3.16Å; E57-K59 VanDerWaalsContact C-N 3.3Å; E57-K59 HydrophobicContact CG-CD 4.25Å; E57-K59 HydrophobicContact CG-CG 4.17Å; E57-K59 PolarHBondContact O-N 3.4Å; E57-K59 VanDerWaalsContact O-N 3.13Å; E57-K59 WeakPolarHBondContact OE1-CE 3.35Å; E57-K59 IonicContact OE1-NZ 3.81Å; E57-K59 PolarHBondContact OE1-NZ 3.34Å | ||
| 58 | Q | 45.2 | Very low | 46.5 | Very low | 128 Ų | 128 | 148.2 Ų | 148.2 | 60% | 0.598 | 76% | 0.764 | S | S | * | * | trans | -82 | 80.8 | 163.8 | -88.7 | 151 | 23.9 | 0 | 0 | 109.9 | E56 Y60 | E56-Q58 PolarHBondContact O-N 2.82Å; E56-Q58 PolarHBondContact OE1-NE2 3.39Å; E56-Q58 PolarHBondContact OE2-NE2 3.16Å; Q58-Y60 HydrophobicContact CB-CD2 4.47Å; Q58-Y60 PolarHBondContact O-N 3.21Å; Q58-Y60 VanDerWaalsContact O-N 3.13Å | ||
| 59 | K | 38.6 | Very low | 45.6 | Very low | 161 Ų | 161 | 153.4 Ų | 153.4 | 70% | 0.7 | 77% | 0.77 | S | S | * | * | trans | -71.8 | 93 | 161.6 | -84.9 | 173.7 | 172.5 | 156.2 | 0 | 109.7 | E57 | E57-K59 VanDerWaalsContact C-N 3.3Å; E57-K59 HydrophobicContact CG-CD 4.25Å; E57-K59 HydrophobicContact CG-CG 4.17Å; E57-K59 PolarHBondContact O-N 3.4Å; E57-K59 VanDerWaalsContact O-N 3.13Å; E57-K59 WeakPolarHBondContact OE1-CE 3.35Å; E57-K59 IonicContact OE1-NZ 3.81Å; E57-K59 PolarHBondContact OE1-NZ 3.34Å | ||
| 60 | Y | 36.7 | Very low | 44.9 | Very low | 211 Ų | 211 | 154.8 Ų | 154.8 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | -81.2 | 114.9 | 156.6 | -82.3 | -86.2 | 0 | 0 | 0 | 109.5 | Q58 | Q58-Y60 HydrophobicContact CB-CD2 4.47Å; Q58-Y60 PolarHBondContact O-N 3.21Å; Q58-Y60 VanDerWaalsContact O-N 3.13Å | ||
| 61 | T | 43.4 | Very low | 44.1 | Very low | 127 Ų | 127 | 151.4 Ų | 151.4 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -96.6 | 131.6 | 161.9 | 48.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 62 | P | 46.6 | Very low | 43.3 | Very low | 125 Ų | 125 | 152.2 Ų | 152.2 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -88.8 | 124.4 | 165.8 | 23.4 | -12.1 | 0 | 0 | 0 | 111.5 | ||||
| 63 | D | 35 | Very low | 42.5 | Very low | 144 Ų | 144 | 151.3 Ų | 151.3 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | 23.7 | 122.9 | 149.8 | -72.3 | -23.7 | 0 | 0 | 0 | 120.9 | ||||
| 64 | Q | 37.8 | Very low | 42 | Very low | 200 Ų | 200 | 159 Ų | 159 | 94% | 0.935 | 79% | 0.791 | S | S | * | * | -131.4 | 118.9 | 121.1 | -77.3 | -166.1 | 23.5 | 0 | 0 | 110.8 | |||||
| 65 | Q | 37.3 | Very low | 41.2 | Very low | 170 Ų | 170 | 154.4 Ų | 154.4 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -54.9 | 140.3 | 165.2 | -75.9 | 173.6 | -19.2 | 0 | 0 | 111.7 | ||||
| 66 | T | 34.6 | Very low | 40.7 | Very low | 135 Ų | 135 | 154.7 Ų | 154.7 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | -166.9 | 124.9 | 103.4 | 35.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 67 | S | 41.3 | Very low | 40.1 | Very low | 111 Ų | 111 | 158 Ų | 158 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | 64.6 | 125.9 | 154.9 | -143.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 68 | P | 42.1 | Very low | 39.5 | Very low | 128 Ų | 128 | 155.5 Ų | 155.5 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | -137.9 | 145.9 | 120.5 | 24.4 | -5.5 | 0 | 0 | 0 | 114.5 | |||||
| 69 | R | 41.7 | Very low | 39.3 | Very low | 214 Ų | 214 | 156.6 Ų | 156.6 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | trans | -73.6 | 154 | 165.4 | -80.5 | -176.4 | 166.2 | -145 | 1.3 | 111.6 | ||||
| 70 | H | 40.9 | Very low | 39.2 | Very low | 165 Ų | 165 | 154.6 Ų | 154.6 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | trans | 73.8 | 108 | 158 | -71.4 | -69.5 | 0 | 0 | 0 | 118.5 | ||||
| 71 | S | 34.9 | Very low | 39.7 | Very low | 129 Ų | 129 | 149.1 Ų | 149.1 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | -166.2 | 152.7 | 118.8 | -162.4 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 72 | K | 44.4 | Very low | 39.5 | Very low | 174 Ų | 174 | 154.5 Ų | 154.5 | 76% | 0.757 | 82% | 0.817 | S | S | * | * | trans | -90.2 | 153 | -163.8 | -87 | 175.1 | 174.5 | 177.5 | 0 | 114 | ||||
| 73 | D | 39.4 | Very low | 39.4 | Very low | 130 Ų | 130 | 153.5 Ų | 153.5 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | trans | 59.4 | 136.6 | 147.3 | -52.1 | -26.4 | 0 | 0 | 0 | 116.1 | ||||
| 74 | W | 40.1 | Very low | 39.9 | Very low | 254 Ų | 254 | 155.7 Ų | 155.7 | 96% | 0.962 | 82% | 0.819 | S | S | * | * | cis | -150.7 | 135.8 | 49.5 | -75.1 | 29.8 | 0 | 0 | 0 | 106.6 | ||||
| 75 | G | 37.9 | Very low | 40 | Very low | 65 Ų | 65 | 154 Ų | 154 | 67% | 0.67 | 82% | 0.815 | S | S | * | * | 106.3 | 101.2 | 72.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 76 | F | 38.8 | Very low | 40.5 | Very low | 178 Ų | 178 | 151 Ų | 151 | 78% | 0.781 | 81% | 0.811 | S | S | * | * | trans | 70.8 | 136 | 132.8 | -100 | -68 | 0 | 0 | 0 | 118.8 | ||||
| 77 | W | 38.4 | Very low | 41 | Very low | 223 Ų | 223 | 156.7 Ų | 156.7 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | cis | -145.6 | 159.9 | 10.5 | -60.2 | 61.3 | 0 | 0 | 0 | 105 | ||||
| 78 | A | 35.4 | Very low | 40.8 | Very low | 94 Ų | 94 | 157.5 Ų | 157.5 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | cis | -170.1 | 132.7 | 45.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | S80 | A78-S80 PolarHBondContact O-N 3.09Š| ||
| 79 | T | 40.4 | Very low | 40.9 | Very low | 151 Ų | 151 | 157.1 Ų | 157.1 | 93% | 0.926 | 82% | 0.818 | S | S | * | * | trans | -73.2 | 112.7 | 164.2 | 40.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 80 | S | 36.8 | Very low | 40.7 | Very low | 119 Ų | 119 | 154.2 Ų | 154.2 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -107.4 | 112 | 157.3 | -168.4 | 0 | 0 | 0 | 0 | 107.7 | A78 R82 | A78-S80 PolarHBondContact O-N 3.09Å; S80-R82 PolarHBondContact O-N 3.18Å | ||
| 81 | A | 47.3 | Very low | 41.1 | Very low | 95 Ų | 95 | 156.5 Ų | 156.5 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -54.6 | 131.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 82 | R | 38.9 | Very low | 41.3 | Very low | 240 Ų | 240 | 158.8 Ų | 158.8 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | -134.8 | 89.4 | 161.9 | -149.6 | 177.1 | -170.1 | -143.8 | 2.7 | 110.4 | S80 | S80-R82 PolarHBondContact O-N 3.18Š| ||
| 83 | S | 44 | Very low | 41.7 | Very low | 105 Ų | 105 | 160.3 Ų | 160.3 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | trans | 5.6 | 115.1 | 144.1 | -19.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 84 | E | 44.8 | Very low | 41.7 | Very low | 190 Ų | 190 | 161.7 Ų | 161.7 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | trans | -66.9 | 134 | 155.3 | -60.7 | -154 | 160.8 | 0 | 0 | 109.9 | ||||
| 85 | L | 41.7 | Very low | 42 | Very low | 165 Ų | 165 | 155.4 Ų | 155.4 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | -144.8 | 145.3 | 154.4 | -127 | 101.7 | 0 | 0 | 0 | 109.7 | ||||
| 86 | P | 47.7 | Very low | 41.9 | Very low | 107 Ų | 107 | 156.5 Ų | 156.5 | 70% | 0.695 | 82% | 0.816 | S | S | * | * | trans | -76.9 | 144.2 | -160.6 | -10.6 | 25.3 | 0 | 0 | 0 | 114.4 | T88 | P86-T88 PolarHBondContact O-N 3Å; P86-T88 VanDerWaalsContact O-N 3.16Å | ||
| 87 | R | 44.2 | Very low | 42.3 | Very low | 253 Ų | 253 | 153.1 Ų | 153.1 | 96% | 0.955 | 82% | 0.821 | S | S | * | * | trans | -66.6 | 104.4 | 160.9 | -80.9 | 179.7 | 172 | -176.9 | -2 | 109.5 | ||||
| 88 | T | 36.6 | Very low | 42.2 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -83.4 | 112.7 | 163.3 | 49 | 0 | 0 | 0 | 0 | 109.5 | P86 L90 | P86-T88 PolarHBondContact O-N 3Å; P86-T88 VanDerWaalsContact O-N 3.16Å; T88-L90 PolarHBondContact O-N 3.49Å | ||
| 89 | S | 45.7 | Very low | 42.9 | Very low | 121 Ų | 121 | 153.3 Ų | 153.3 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -74.4 | 94.4 | 164.6 | 53.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 90 | L | 37.5 | Very low | 43.1 | Very low | 153 Ų | 153 | 153.4 Ų | 153.4 | 80% | 0.801 | 81% | 0.813 | S | S | * | * | trans | -111.2 | 78.3 | 170 | -164.8 | 69.6 | 0 | 0 | 0 | 110.2 | T88 K92 | T88-L90 PolarHBondContact O-N 3.49Å; L90-K92 PolarHBondContact O-N 3.4Å | ||
| 91 | K | 47.8 | Very low | 43.3 | Very low | 212 Ų | 212 | 152.1 Ų | 152.1 | 92% | 0.922 | 81% | 0.809 | S | S | * | * | trans | -78.1 | 98.6 | 152.5 | -94.9 | 179.9 | 178.3 | 174.4 | 0 | 107.2 | ||||
| 92 | K | 40.2 | Very low | 43 | Very low | 177 Ų | 177 | 151 Ų | 151 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -140.5 | 101.8 | 148.9 | -145.9 | 170.4 | -173.4 | 177.5 | 0 | 108.7 | L90 Q94 | L90-K92 PolarHBondContact O-N 3.4Å; K92-Q94 PolarHBondContact O-N 2.96Å; K92-Q94 VanDerWaalsContact O-N 3.16Å | ||
| 93 | K | 52.9 | Low | 43.7 | Very low | 206 Ų | 206 | 143 Ų | 143 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | trans | -55.4 | 113.3 | 163.3 | -65.1 | 177 | 175.8 | -176.7 | 0 | 107.2 | ||||
| 94 | Q | 39.3 | Very low | 44.7 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | -135.8 | 96.6 | 150.5 | -107.7 | 177 | 9.3 | 0 | 0 | 106.4 | K92 V96 | K92-Q94 PolarHBondContact O-N 2.96Å; K92-Q94 VanDerWaalsContact O-N 3.16Å; Q94-V96 PolarHBondContact O-N 3.28Å | ||
| 95 | S | 46.2 | Very low | 46.3 | Very low | 123 Ų | 123 | 140 Ų | 140 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -56.7 | 93.3 | 152.1 | 47.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 96 | V | 35.6 | Very low | 47.9 | Very low | 88 Ų | 88 | 137.3 Ų | 137.3 | 53% | 0.533 | 77% | 0.768 | S | S | . | * | trans | -108 | 112.8 | 154.3 | -179.5 | 0 | 0 | 0 | 0 | 105.1 | Q94 L98 | Q94-V96 PolarHBondContact O-N 3.28Å; V96-L98 HydrophobicContact CB-CD1 4.35Å; V96-L98 HydrophobicContact CG1-CB 4.12Å; V96-L98 HydrophobicContact CG1-CD1 3.47Å; V96-L98 VanDerWaalsContact CG1-CD1 3.47Å; V96-L98 HydrophobicContact CG1-CG 3.67Å; V96-L98 PolarHBondContact O-N 2.96Å | ||
| 97 | A | 46.1 | Very low | 49.8 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 88% | 0.876 | 76% | 0.757 | S | S | * | * | trans | -57.7 | 86.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 98 | L | 38 | Very low | 51.9 | Low | 140 Ų | 140 | 127.4 Ų | 127.4 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | trans | -116.4 | 104.8 | 168.1 | -101.4 | 157.7 | 0 | 0 | 0 | 105.6 | V96 L100 | V96-L98 HydrophobicContact CB-CD1 4.35Å; V96-L98 HydrophobicContact CG1-CB 4.12Å; V96-L98 HydrophobicContact CG1-CD1 3.47Å; V96-L98 VanDerWaalsContact CG1-CD1 3.47Å; V96-L98 HydrophobicContact CG1-CG 3.67Å; V96-L98 PolarHBondContact O-N 2.96Å; L98-L100 PolarHBondContact O-N 3.41Å | ||
| 99 | Q | 48.6 | Very low | 54.4 | Low | 181 Ų | 181 | 129.7 Ų | 129.7 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | trans | -42 | 110.8 | 165.8 | -59.9 | 174.7 | 11.5 | 0 | 0 | 108.4 | A101 | Q99-A101 PolarHBondContact O-N 3.42Š| ||
| 100 | L | 45.4 | Very low | 56.6 | Low | 153 Ų | 153 | 128.7 Ų | 128.7 | 80% | 0.801 | 72% | 0.722 | S | S | * | * | trans | -79.3 | 64.8 | 169.1 | -158.1 | 74.8 | 0 | 0 | 0 | 107.9 | L98 G102 | L98-L100 PolarHBondContact O-N 3.41Å; L100-G102 PolarHBondContact O-N 2.98Å | ||
| 101 | A | 42 | Very low | 59.2 | Low | 92 Ų | 92 | 123.2 Ų | 123.2 | 76% | 0.76 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 85.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107 | Q99 | Q99-A101 PolarHBondContact O-N 3.42Š|
| 102 | G | 40.9 | Very low | 61.3 | Low | 71 Ų | 71 | 119.9 Ų | 119.9 | 73% | 0.732 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 169.7 | -10.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | L100 | L100-G102 PolarHBondContact O-N 2.98Š|
| 103 | S | 52.1 | Low | 64 | Low | 72 Ų | 72 | 115.9 Ų | 115.9 | 50% | 0.503 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -73.5 | 138.7 | 162.8 | 61 | 0 | 0 | 0 | 0 | 108.5 | ||
| 104 | P | 66.6 | Low | 65.9 | Low | 108 Ų | 108 | 109.5 Ų | 109.5 | 70% | 0.701 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 140.9 | 169.1 | -23.4 | 31.9 | 0 | 0 | 0 | 109.3 | L106 | P104-L106 PolarHBondContact O-N 2.93Š|
| 105 | P | 76.8 | Confident | 68.4 | Low | 125 Ų | 125 | 105.4 Ų | 105.4 | 81% | 0.812 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 119.9 | 172.6 | -20.7 | 29.9 | 0 | 0 | 0 | 107.7 | S107 | P105-S107 PolarHBondContact O-N 2.74Š|
| 106 | L | 76.6 | Confident | 70.7 | Confident | 108 Ų | 108 | 102.4 Ų | 102.4 | 57% | 0.565 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 130.9 | 177.4 | -80.7 | 159.6 | 0 | 0 | 0 | 107.7 | P104 A108 E110 A111 | P104-L106 PolarHBondContact O-N 2.93Å; L106-A108 PolarHBondContact O-N 2.78Å; L106-E110 HydrophobicContact CB-CB 4.47Å; L106-E110 HydrophobicContact CD2-CB 3.88Å; L106-A111 HydrophobicContact CB-CB 4.32Å |
| 107 | S | 87 | Confident | 73.6 | Confident | 66 Ų | 66 | 100.7 Ų | 100.7 | 46% | 0.462 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 141.7 | 174.2 | 175.4 | 0 | 0 | 0 | 0 | 108 | P105 W109 E110 A111 | P105-S107 PolarHBondContact O-N 2.74Å; S107-W109 PolarHBondContact O-N 3.08Å; S107-E110 PolarHBondContact N-OE2 3.43Å; S107-E110 PolarHBondContact O-N 3.49Å; S107-A111 PolarHBondContact O-N 2.94Å |
| 108 | A | 88.2 | Confident | 75.9 | Confident | 86 Ų | 86 | 102.6 Ų | 102.6 | 71% | 0.711 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -50.3 | -30.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L106 W112 | L106-A108 PolarHBondContact O-N 2.78Å; A108-W112 WeakPolarHBondContact O-CB 3.42Å; A108-W112 PolarHBondContact O-N 2.95Å; A108-W112 VanDerWaalsContact O-N 3.08Å |
| 109 | W | 89.3 | Confident | 78.6 | Confident | 176 Ų | 176 | 99.9 Ų | 99.9 | 67% | 0.667 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70 | -40.7 | 173.9 | -115.7 | 88.3 | 0 | 0 | 0 | 114.6 | S107 W112 L113 | S107-W109 PolarHBondContact O-N 3.08Å; W109-W112 HydrophobicContact CE3-CE3 4.34Å; W109-W112 HydrophobicContact CH2-CZ3 4.34Å; W109-W112 HydrophobicContact CZ3-CE3 4.34Å; W109-W112 HydrophobicContact CZ3-CZ3 4.09Å; W109-W112 PolarHBondContact O-N 3.21Å; W109-L113 HydrophobicContact CE3-CD1 3.87Å; W109-L113 HydrophobicContact CE3-CG 4.34Å; W109-L113 HydrophobicContact CZ3-CD1 4.11Å; W109-L113 HydrophobicContact CZ3-CG 4.44Å; W109-L113 PolarHBondContact O-N 2.88Å |
| 110 | E | 92.2 | Very high | 80.8 | Confident | 101 Ų | 101 | 94.9 Ų | 94.9 | 47% | 0.472 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.2 | -42.2 | 177.2 | -64.2 | 171.7 | 142.1 | 0 | 0 | 110.8 | L106 S107 W112 L113 V114 | L106-E110 HydrophobicContact CB-CB 4.47Å; L106-E110 HydrophobicContact CD2-CB 3.88Å; S107-E110 PolarHBondContact N-OE2 3.43Å; S107-E110 PolarHBondContact O-N 3.49Å; E110-W112 VanDerWaalsContact C-N 3.27Å; E110-W112 PolarHBondContact O-N 3.44Å; E110-L113 PolarHBondContact O-N 3.36Å; E110-V114 WeakPolarHBondContact O-CG2 3.32Å; E110-V114 PolarHBondContact O-N 3.12Å |
| 111 | A | 90.6 | Very high | 83.2 | Confident | 37 Ų | 37 | 94.5 Ų | 94.5 | 31% | 0.306 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61 | -38.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L106 S107 S115 | L106-A111 HydrophobicContact CB-CB 4.32Å; S107-A111 PolarHBondContact O-N 2.94Å; A111-S115 VanDerWaalsContact O-CB 3.32Å; A111-S115 WeakPolarHBondContact O-CB 3.32Å; A111-S115 PolarHBondContact O-N 3.32Å; A111-S115 PolarHBondContact O-OG 2.92Å |
| 112 | W | 93.7 | Very high | 85.8 | Confident | 143 Ų | 143 | 95.6 Ų | 95.6 | 54% | 0.542 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.9 | -48.3 | 173.5 | 177.6 | 82.8 | 0 | 0 | 0 | 112.2 | A108 W109 E110 V114 S115 K116 | A108-W112 WeakPolarHBondContact O-CB 3.42Å; A108-W112 PolarHBondContact O-N 2.95Å; A108-W112 VanDerWaalsContact O-N 3.08Å; W109-W112 HydrophobicContact CE3-CE3 4.34Å; W109-W112 HydrophobicContact CH2-CZ3 4.34Å; W109-W112 HydrophobicContact CZ3-CE3 4.34Å; W109-W112 HydrophobicContact CZ3-CZ3 4.09Å; W109-W112 PolarHBondContact O-N 3.21Å; E110-W112 VanDerWaalsContact C-N 3.27Å; E110-W112 PolarHBondContact O-N 3.44Å; W112-V114 PolarHBondContact O-N 3.38Å; W112-S115 PolarHBondContact O-N 2.91Å; W112-K116 HydrophobicContact CZ2-CD 4.28Å; W112-K116 HydrophobicContact CZ2-CG 4.46Å; W112-K116 VanDerWaalsContact O-CB 3.32Å; W112-K116 WeakPolarHBondContact O-CB 3.49Å; W112-K116 PolarHBondContact O-N 2.87Å |
| 113 | L | 95.1 | Very high | 88.4 | Confident | 93 Ų | 93 | 99.1 Ų | 99.1 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.9 | -44.4 | 177 | -90.5 | 159.8 | 0 | 0 | 0 | 112.6 | W109 E110 K116 A117 | W109-L113 HydrophobicContact CE3-CD1 3.87Å; W109-L113 HydrophobicContact CE3-CG 4.34Å; W109-L113 HydrophobicContact CZ3-CD1 4.11Å; W109-L113 HydrophobicContact CZ3-CG 4.44Å; W109-L113 PolarHBondContact O-N 2.88Å; E110-L113 PolarHBondContact O-N 3.36Å; L113-K116 PolarHBondContact O-N 2.94Å; L113-A117 WeakPolarHBondContact O-CB 3.42Å; L113-A117 PolarHBondContact O-N 3.24Å |
| 114 | V | 93.3 | Very high | 90.5 | Very high | 71 Ų | 71 | 101.7 Ų | 101.7 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 177.3 | 172.6 | 0 | 0 | 0 | 0 | 111 | E110 W112 A117 K118 | E110-V114 WeakPolarHBondContact O-CG2 3.32Å; E110-V114 PolarHBondContact O-N 3.12Å; W112-V114 PolarHBondContact O-N 3.38Å; V114-A117 PolarHBondContact O-N 2.91Å; V114-K118 HydrophobicContact CG1-CD 4.46Å; V114-K118 WeakPolarHBondContact O-CG 3.36Å; V114-K118 PolarHBondContact O-N 2.77Å; V114-K118 VanDerWaalsContact O-N 3.09Å |
| 115 | S | 91.7 | Very high | 91.8 | Very high | 73 Ų | 73 | 102 Ų | 102 | 51% | 0.51 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 176.5 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | A111 W112 K118 E119 | A111-S115 VanDerWaalsContact O-CB 3.32Å; A111-S115 WeakPolarHBondContact O-CB 3.32Å; A111-S115 PolarHBondContact O-N 3.32Å; A111-S115 PolarHBondContact O-OG 2.92Å; W112-S115 PolarHBondContact O-N 2.91Å; S115-K118 PolarHBondContact O-N 3.12Å; S115-E119 WeakPolarHBondContact O-CB 3.35Å; S115-E119 PolarHBondContact O-N 3.36Å |
| 116 | K | 95.2 | Very high | 92.8 | Very high | 60 Ų | 60 | 102.1 Ų | 102.1 | 26% | 0.261 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 176.3 | -169.5 | 72.3 | -148.2 | 160.4 | 0 | 111.8 | W112 L113 K118 E119 D120 | W112-K116 HydrophobicContact CZ2-CD 4.28Å; W112-K116 HydrophobicContact CZ2-CG 4.46Å; W112-K116 VanDerWaalsContact O-CB 3.32Å; W112-K116 WeakPolarHBondContact O-CB 3.49Å; W112-K116 PolarHBondContact O-N 2.87Å; L113-K116 PolarHBondContact O-N 2.94Å; K116-K118 VanDerWaalsContact C-N 3.32Å; K116-K118 PolarHBondContact O-N 3.31Å; K116-E119 IonicContact NZ-OE1 3.73Å; K116-E119 IonicContact NZ-OE2 2.7Å; K116-E119 PolarHBondContact NZ-OE2 3.49Å; K116-E119 WeakPolarHBondContact O-CB 3.47Å; K116-E119 PolarHBondContact O-N 3.4Å; K116-D120 IonicContact NZ-OD1 2.66Å; K116-D120 WeakPolarHBondContact O-CB 3.48Å; K116-D120 PolarHBondContact O-N 3.01Å |
| 117 | A | 95.6 | Very high | 93.7 | Very high | 53 Ų | 53 | 103.5 Ų | 103.5 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -37.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L113 V114 H121 | L113-A117 WeakPolarHBondContact O-CB 3.42Å; L113-A117 PolarHBondContact O-N 3.24Å; V114-A117 PolarHBondContact O-N 2.91Å; A117-H121 WeakPolarHBondContact O-CB 3.49Å; A117-H121 PolarHBondContact O-N 3.27Å |
| 118 | K | 94.8 | Very high | 94.2 | Very high | 146 Ų | 146 | 103.2 Ų | 103.2 | 64% | 0.635 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.9 | -42.7 | 174.2 | -73.2 | 176.5 | -179.4 | -179.8 | 0 | 112.1 | V114 S115 K116 D120 H121 L122 | V114-K118 HydrophobicContact CG1-CD 4.46Å; V114-K118 WeakPolarHBondContact O-CG 3.36Å; V114-K118 PolarHBondContact O-N 2.77Å; V114-K118 VanDerWaalsContact O-N 3.09Å; S115-K118 PolarHBondContact O-N 3.12Å; K116-K118 VanDerWaalsContact C-N 3.32Å; K116-K118 PolarHBondContact O-N 3.31Å; K118-D120 VanDerWaalsContact C-N 3.33Å; K118-H121 PolarHBondContact O-N 3.02Å; K118-L122 WeakPolarHBondContact O-CB 3.39Å; K118-L122 PolarHBondContact O-N 3Å |
| 119 | E | 95.2 | Very high | 94.6 | Very high | 83 Ų | 83 | 104 Ų | 104 | 39% | 0.388 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 174.6 | -169.4 | -162.6 | 163.6 | 0 | 0 | 111 | S115 K116 L122 R123 | S115-E119 WeakPolarHBondContact O-CB 3.35Å; S115-E119 PolarHBondContact O-N 3.36Å; K116-E119 IonicContact NZ-OE1 3.73Å; K116-E119 IonicContact NZ-OE2 2.7Å; K116-E119 PolarHBondContact NZ-OE2 3.49Å; K116-E119 WeakPolarHBondContact O-CB 3.47Å; K116-E119 PolarHBondContact O-N 3.4Å; E119-L122 PolarHBondContact O-N 3.36Å; E119-R123 WeakPolarHBondContact O-CB 3.33Å; E119-R123 WeakPolarHBondContact O-CG 3.46Å; E119-R123 PolarHBondContact O-N 2.98Å; E119-R123 IonicContact OE1-NH1 2.67Å |
| 120 | D | 94.9 | Very high | 94.9 | Very high | 75 Ų | 75 | 100.7 Ų | 100.7 | 40% | 0.401 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68 | -39.3 | 179.8 | -71.5 | -19.7 | 0 | 0 | 0 | 112 | K116 K118 R123 L124 | K116-D120 IonicContact NZ-OD1 2.66Å; K116-D120 WeakPolarHBondContact O-CB 3.48Å; K116-D120 PolarHBondContact O-N 3.01Å; K118-D120 VanDerWaalsContact C-N 3.33Å; D120-R123 PolarHBondContact O-N 3.46Å; D120-L124 PolarHBondContact O-N 3.44Å |
| 121 | H | 95.1 | Very high | 95.1 | Very high | 145 Ų | 145 | 99.8 Ų | 99.8 | 67% | 0.671 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.9 | -46.8 | 172.2 | -111.1 | -87.6 | 0 | 0 | 0 | 112 | A117 K118 R123 L124 E125 | A117-H121 WeakPolarHBondContact O-CB 3.49Å; A117-H121 PolarHBondContact O-N 3.27Å; K118-H121 PolarHBondContact O-N 3.02Å; H121-R123 VanDerWaalsContact C-N 3.3Å; H121-R123 PolarHBondContact O-N 2.93Å; H121-L124 PolarHBondContact O-N 2.9Å; H121-E125 WeakPolarHBondContact O-CB 3.2Å; H121-E125 PolarHBondContact O-N 3.35Å |
| 122 | L | 96.3 | Very high | 95.3 | Very high | 115 Ų | 115 | 105.4 Ų | 105.4 | 60% | 0.602 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.8 | -38 | 178.2 | -174.6 | 68.2 | 0 | 0 | 0 | 111.5 | K118 E119 E125 K126 | K118-L122 WeakPolarHBondContact O-CB 3.39Å; K118-L122 PolarHBondContact O-N 3Å; E119-L122 PolarHBondContact O-N 3.36Å; L122-E125 PolarHBondContact O-N 2.91Å; L122-K126 WeakPolarHBondContact O-CB 3.43Å; L122-K126 PolarHBondContact O-N 3.05Å |
| 123 | R | 95.6 | Very high | 95.5 | Very high | 146 Ų | 146 | 102.7 Ų | 102.7 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.6 | -40.5 | 174.4 | -78.4 | 178.9 | 130.3 | 174.4 | 1.6 | 112.3 | E119 D120 H121 K127 | E119-R123 WeakPolarHBondContact O-CB 3.33Å; E119-R123 WeakPolarHBondContact O-CG 3.46Å; E119-R123 PolarHBondContact O-N 2.98Å; E119-R123 IonicContact OE1-NH1 2.67Å; D120-R123 PolarHBondContact O-N 3.46Å; H121-R123 VanDerWaalsContact C-N 3.3Å; H121-R123 PolarHBondContact O-N 2.93Å; R123-K127 WeakPolarHBondContact O-CG 3.49Å; R123-K127 PolarHBondContact O-N 3.44Å; R123-K127 VanDerWaalsContact O-N 3.08Å |
| 124 | L | 96.3 | Very high | 95.6 | Very high | 125 Ų | 125 | 102.8 Ų | 102.8 | 65% | 0.654 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.7 | -43.3 | 177.8 | -140.9 | 84.8 | 0 | 0 | 0 | 111.1 | D120 H121 K127 A128 | D120-L124 PolarHBondContact O-N 3.44Å; H121-L124 PolarHBondContact O-N 2.9Å; L124-K127 PolarHBondContact O-N 3.46Å; L124-A128 WeakPolarHBondContact O-CB 3.43Å; L124-A128 PolarHBondContact O-N 3.43Å |
| 125 | E | 95.1 | Very high | 95.7 | Very high | 116 Ų | 116 | 107.6 Ų | 107.6 | 54% | 0.542 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 177.3 | -173.7 | 168.3 | -147.6 | 0 | 0 | 111.3 | H121 L122 K127 A128 E129 | H121-E125 WeakPolarHBondContact O-CB 3.2Å; H121-E125 PolarHBondContact O-N 3.35Å; L122-E125 PolarHBondContact O-N 2.91Å; E125-K127 VanDerWaalsContact C-N 3.34Å; E125-K127 PolarHBondContact O-N 3.34Å; E125-A128 WeakPolarHBondContact O-CB 3.37Å; E125-A128 PolarHBondContact O-N 3.08Å; E125-A128 VanDerWaalsContact O-N 3.12Å; E125-E129 PolarHBondContact O-N 3.5Å |
| 126 | K | 96.3 | Very high | 96 | Very high | 127 Ų | 127 | 109.2 Ų | 109.2 | 55% | 0.552 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.6 | -43.7 | 175.4 | -171.8 | 179.8 | 179.6 | -172.9 | 0 | 112.4 | L122 E129 E130 | L122-K126 WeakPolarHBondContact O-CB 3.43Å; L122-K126 PolarHBondContact O-N 3.05Å; K126-E129 PolarHBondContact O-N 3Å; K126-E130 WeakPolarHBondContact CE-OE1 3.48Å; K126-E130 WeakPolarHBondContact O-CG 3.45Å; K126-E130 PolarHBondContact O-N 3.5Å |
| 127 | K | 96.6 | Very high | 96.1 | Very high | 137 Ų | 137 | 113.7 Ų | 113.7 | 60% | 0.596 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.1 | -41.4 | 175.1 | -75.6 | 179.8 | 178.1 | -174.5 | 0 | 112 | R123 L124 E125 E129 E130 D131 | R123-K127 WeakPolarHBondContact O-CG 3.49Å; R123-K127 PolarHBondContact O-N 3.44Å; R123-K127 VanDerWaalsContact O-N 3.08Å; L124-K127 PolarHBondContact O-N 3.46Å; E125-K127 VanDerWaalsContact C-N 3.34Å; E125-K127 PolarHBondContact O-N 3.34Å; K127-E129 VanDerWaalsContact C-N 3.32Å; K127-E129 PolarHBondContact O-N 3.38Å; K127-E130 PolarHBondContact O-N 2.97Å; K127-D131 WeakPolarHBondContact O-CB 3.39Å; K127-D131 PolarHBondContact O-N 3.28Å |
| 128 | A | 96.6 | Very high | 96.2 | Very high | 60 Ų | 60 | 116.4 Ų | 116.4 | 50% | 0.496 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.3 | -37 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L124 E125 R132 | L124-A128 WeakPolarHBondContact O-CB 3.43Å; L124-A128 PolarHBondContact O-N 3.43Å; E125-A128 WeakPolarHBondContact O-CB 3.37Å; E125-A128 PolarHBondContact O-N 3.08Å; E125-A128 VanDerWaalsContact O-N 3.12Å; A128-R132 WeakPolarHBondContact O-CB 3.32Å; A128-R132 PolarHBondContact O-N 2.98Å |
| 129 | E | 96.4 | Very high | 96.3 | Very high | 103 Ų | 103 | 114.8 Ų | 114.8 | 48% | 0.481 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.2 | -43.6 | 174 | -72.1 | -173.3 | 159 | 0 | 0 | 112.5 | E125 K126 K127 R132 L133 | E125-E129 PolarHBondContact O-N 3.5Å; K126-E129 PolarHBondContact O-N 3Å; K127-E129 VanDerWaalsContact C-N 3.32Å; K127-E129 PolarHBondContact O-N 3.38Å; E129-R132 PolarHBondContact O-N 3.43Å; E129-L133 PolarHBondContact O-N 2.94Å |
| 130 | E | 96 | Very high | 96.3 | Very high | 105 Ų | 105 | 114.5 Ų | 114.5 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 175.3 | -74.2 | 173.7 | -176.7 | 0 | 0 | 111.3 | K126 K127 R132 L133 L134 | K126-E130 WeakPolarHBondContact CE-OE1 3.48Å; K126-E130 WeakPolarHBondContact O-CG 3.45Å; K126-E130 PolarHBondContact O-N 3.5Å; K127-E130 PolarHBondContact O-N 2.97Å; E130-R132 VanDerWaalsContact C-N 3.33Å; E130-R132 PolarHBondContact O-N 3.21Å; E130-L133 PolarHBondContact O-N 3.41Å; E130-L134 WeakPolarHBondContact O-CB 3.37Å; E130-L134 PolarHBondContact O-N 2.91Å |
| 131 | D | 95.9 | Very high | 96.4 | Very high | 83 Ų | 83 | 115.5 Ų | 115.5 | 44% | 0.444 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62 | -39.1 | 175.5 | -80.3 | -2.5 | 0 | 0 | 0 | 112 | K127 L134 R135 | K127-D131 WeakPolarHBondContact O-CB 3.39Å; K127-D131 PolarHBondContact O-N 3.28Å; D131-L134 PolarHBondContact O-N 3.36Å; D131-R135 WeakPolarHBondContact O-CG 3.45Å; D131-R135 PolarHBondContact O-N 3.49Å |
| 132 | R | 96.7 | Very high | 96.5 | Very high | 155 Ų | 155 | 114 Ų | 114 | 59% | 0.585 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64 | -45.1 | 177 | -167.2 | -171 | 77.1 | -157.3 | -1.2 | 111.3 | A128 E129 E130 L134 R135 E136 | A128-R132 WeakPolarHBondContact O-CB 3.32Å; A128-R132 PolarHBondContact O-N 2.98Å; E129-R132 PolarHBondContact O-N 3.43Å; E130-R132 VanDerWaalsContact C-N 3.33Å; E130-R132 PolarHBondContact O-N 3.21Å; R132-L134 VanDerWaalsContact C-N 3.31Å; R132-L134 PolarHBondContact O-N 3.42Å; R132-R135 PolarHBondContact O-N 3.04Å; R132-E136 PolarHBondContact O-N 3.4Å |
| 133 | L | 96.9 | Very high | 96.5 | Very high | 86 Ų | 86 | 113.6 Ų | 113.6 | 45% | 0.45 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66 | -34.9 | 177.8 | -76.6 | 172.3 | 0 | 0 | 0 | 112.3 | E129 E130 K137 | E129-L133 PolarHBondContact O-N 2.94Å; E130-L133 PolarHBondContact O-N 3.41Å; L133-K137 WeakPolarHBondContact O-CG 3.42Å; L133-K137 PolarHBondContact O-N 2.97Å; L133-K137 VanDerWaalsContact O-N 3.12Å |
| 134 | L | 97 | Very high | 96.6 | Very high | 94 Ų | 94 | 110.6 Ų | 110.6 | 49% | 0.492 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.4 | -48.5 | 175.3 | -174.3 | 63.8 | 0 | 0 | 0 | 110.9 | E130 D131 R132 E136 K137 E138 | E130-L134 WeakPolarHBondContact O-CB 3.37Å; E130-L134 PolarHBondContact O-N 2.91Å; D131-L134 PolarHBondContact O-N 3.36Å; R132-L134 VanDerWaalsContact C-N 3.31Å; R132-L134 PolarHBondContact O-N 3.42Å; L134-E136 VanDerWaalsContact C-N 3.34Å; L134-E136 PolarHBondContact O-N 3.01Å; L134-K137 PolarHBondContact O-N 2.96Å; L134-E138 PolarHBondContact O-N 3.14Å |
| 135 | R | 96.7 | Very high | 96.7 | Very high | 173 Ų | 173 | 111 Ų | 111 | 65% | 0.653 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.5 | -41.8 | 176.9 | -68.8 | -176.1 | -148.2 | -169.1 | 5.2 | 112.6 | D131 R132 K137 E138 E139 | D131-R135 WeakPolarHBondContact O-CG 3.45Å; D131-R135 PolarHBondContact O-N 3.49Å; R132-R135 PolarHBondContact O-N 3.04Å; R135-K137 VanDerWaalsContact C-N 3.32Å; R135-K137 PolarHBondContact O-N 2.9Å; R135-E138 PolarHBondContact O-N 3.37Å; R135-E139 WeakPolarHBondContact O-CB 3.37Å; R135-E139 PolarHBondContact O-N 2.9Å |
| 136 | E | 96.7 | Very high | 96.8 | Very high | 107 Ų | 107 | 110.2 Ų | 110.2 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 177.7 | -175.1 | 174 | -164.8 | 0 | 0 | 112 | R132 L134 Q140 | R132-E136 PolarHBondContact O-N 3.4Å; L134-E136 VanDerWaalsContact C-N 3.34Å; L134-E136 PolarHBondContact O-N 3.01Å; E136-Q140 WeakPolarHBondContact O-CB 3.4Å; E136-Q140 PolarHBondContact O-N 2.86Å |
| 137 | K | 97 | Very high | 96.8 | Very high | 153 Ų | 153 | 110.2 Ų | 110.2 | 67% | 0.665 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.7 | -41.6 | 174.6 | -75.7 | 177.6 | -179.5 | 175.7 | 0 | 112.4 | L133 L134 R135 Q140 Q141 | L133-K137 WeakPolarHBondContact O-CG 3.42Å; L133-K137 PolarHBondContact O-N 2.97Å; L133-K137 VanDerWaalsContact O-N 3.12Å; L134-K137 PolarHBondContact O-N 2.96Å; R135-K137 VanDerWaalsContact C-N 3.32Å; R135-K137 PolarHBondContact O-N 2.9Å; K137-Q140 PolarHBondContact O-N 3.18Å; K137-Q141 WeakPolarHBondContact O-CB 3.37Å; K137-Q141 PolarHBondContact O-N 3.42Å |
| 138 | E | 97.3 | Very high | 96.9 | Very high | 110 Ų | 110 | 109.8 Ų | 109.8 | 51% | 0.514 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 176.3 | -74.7 | 178.5 | 172.2 | 0 | 0 | 111.2 | L134 R135 Q140 Q141 E142 | L134-E138 PolarHBondContact O-N 3.14Å; R135-E138 PolarHBondContact O-N 3.37Å; E138-Q140 PolarHBondContact O-N 3.33Å; E138-Q141 WeakPolarHBondContact O-CB 3.45Å; E138-Q141 PolarHBondContact O-N 3.4Å; E138-E142 PolarHBondContact O-N 2.88Å |
| 139 | E | 96.9 | Very high | 97 | Very high | 112 Ų | 112 | 113.7 Ų | 113.7 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 176.9 | -173.6 | -177.8 | 175 | 0 | 0 | 111.9 | R135 Q141 E142 R143 | R135-E139 WeakPolarHBondContact O-CB 3.37Å; R135-E139 PolarHBondContact O-N 2.9Å; E139-Q141 VanDerWaalsContact C-N 3.34Å; E139-Q141 PolarHBondContact O-N 3.29Å; E139-E142 PolarHBondContact O-N 3.42Å; E139-R143 WeakPolarHBondContact O-CG 3.41Å; E139-R143 PolarHBondContact O-N 3.01Å |
| 140 | Q | 96.6 | Very high | 97.1 | Very high | 78 Ų | 78 | 114.4 Ų | 114.4 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 174.6 | -177 | 65.4 | 27.2 | 0 | 0 | 111.4 | E136 K137 E138 R143 E144 | E136-Q140 WeakPolarHBondContact O-CB 3.4Å; E136-Q140 PolarHBondContact O-N 2.86Å; K137-Q140 PolarHBondContact O-N 3.18Å; E138-Q140 PolarHBondContact O-N 3.33Å; Q140-R143 PolarHBondContact O-N 3.02Å; Q140-R143 VanDerWaalsContact OE1-NH1 3.13Å; Q140-E144 WeakPolarHBondContact O-CG 3.33Å; Q140-E144 PolarHBondContact O-N 3.02Å |
| 141 | Q | 96.6 | Very high | 97.2 | Very high | 96 Ų | 96 | 113.1 Ų | 113.1 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | 177.7 | -167.3 | -175.5 | 33.2 | 0 | 0 | 111.9 | K137 E138 E139 E144 R145 | K137-Q141 WeakPolarHBondContact O-CB 3.37Å; K137-Q141 PolarHBondContact O-N 3.42Å; E138-Q141 WeakPolarHBondContact O-CB 3.45Å; E138-Q141 PolarHBondContact O-N 3.4Å; E139-Q141 VanDerWaalsContact C-N 3.34Å; E139-Q141 PolarHBondContact O-N 3.29Å; Q141-E144 PolarHBondContact O-N 2.91Å; Q141-R145 VanDerWaalsContact NE2-NH2 3.11Å; Q141-R145 VanDerWaalsContact O-CG 3.3Å; Q141-R145 WeakPolarHBondContact O-CG 3.49Å; Q141-R145 PolarHBondContact O-N 3.41Å |
| 142 | E | 97.1 | Very high | 97.3 | Very high | 112 Ų | 112 | 114.5 Ų | 114.5 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -48.5 | 175 | -176 | 168.3 | -148.7 | 0 | 0 | 111.2 | E138 E139 E144 R145 E146 | E138-E142 PolarHBondContact O-N 2.88Å; E139-E142 PolarHBondContact O-N 3.42Å; E142-E144 VanDerWaalsContact C-N 3.29Å; E142-E144 PolarHBondContact O-N 3.43Å; E142-R145 WeakPolarHBondContact O-CA 3.43Å; E142-R145 WeakPolarHBondContact O-CB 3.43Å; E142-R145 PolarHBondContact O-N 3.44Å; E142-E146 WeakPolarHBondContact O-CG 3.46Å; E142-E146 PolarHBondContact O-N 3.35Å |
| 143 | R | 97.3 | Very high | 97.3 | Very high | 107 Ų | 107 | 111.4 Ų | 111.4 | 40% | 0.404 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -56.5 | -41.7 | 175.4 | -75.8 | -170.4 | -79.4 | 129.3 | -1.4 | 112.3 | E139 Q140 E146 Q147 | E139-R143 WeakPolarHBondContact O-CG 3.41Å; E139-R143 PolarHBondContact O-N 3.01Å; Q140-R143 PolarHBondContact O-N 3.02Å; Q140-R143 VanDerWaalsContact OE1-NH1 3.13Å; R143-E146 PolarHBondContact O-N 3.45Å; R143-Q147 WeakPolarHBondContact O-CG 3.3Å; R143-Q147 PolarHBondContact O-N 3.16Å |
| 144 | E | 97.3 | Very high | 97.4 | Very high | 83 Ų | 83 | 112.3 Ų | 112.3 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 175.3 | -74.9 | -178.6 | -164.2 | 0 | 0 | 113.1 | Q140 Q141 E142 K148 | Q140-E144 WeakPolarHBondContact O-CG 3.33Å; Q140-E144 PolarHBondContact O-N 3.02Å; Q141-E144 PolarHBondContact O-N 2.91Å; E142-E144 VanDerWaalsContact C-N 3.29Å; E142-E144 PolarHBondContact O-N 3.43Å; E144-K148 WeakPolarHBondContact O-CB 3.25Å; E144-K148 VanDerWaalsContact O-CG 3.27Å; E144-K148 WeakPolarHBondContact O-CG 3.36Å; E144-K148 PolarHBondContact O-N 3.05Å |
| 145 | R | 97.5 | Very high | 97.5 | Very high | 133 Ų | 133 | 114.3 Ų | 114.3 | 50% | 0.502 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 175.5 | -72 | 170.5 | -175 | 164.8 | 3.9 | 110.8 | Q141 E142 K148 K149 | Q141-R145 VanDerWaalsContact NE2-NH2 3.11Å; Q141-R145 VanDerWaalsContact O-CG 3.3Å; Q141-R145 WeakPolarHBondContact O-CG 3.49Å; Q141-R145 PolarHBondContact O-N 3.41Å; E142-R145 WeakPolarHBondContact O-CA 3.43Å; E142-R145 WeakPolarHBondContact O-CB 3.43Å; E142-R145 PolarHBondContact O-N 3.44Å; R145-K148 PolarHBondContact O-N 2.97Å; R145-K149 WeakPolarHBondContact O-CG 3.34Å; R145-K149 PolarHBondContact O-N 3.42Å |
| 146 | E | 97.3 | Very high | 97.5 | Very high | 101 Ų | 101 | 110.1 Ų | 110.1 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 176.2 | -69.4 | -174.8 | 157.2 | 0 | 0 | 112 | E142 R143 K148 K149 L150 | E142-E146 WeakPolarHBondContact O-CG 3.46Å; E142-E146 PolarHBondContact O-N 3.35Å; R143-E146 PolarHBondContact O-N 3.45Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 PolarHBondContact O-N 2.87Å; E146-K149 WeakPolarHBondContact O-CB 3.5Å; E146-K149 PolarHBondContact O-N 3.23Å; E146-K149 VanDerWaalsContact O-N 3.14Å; E146-L150 WeakPolarHBondContact O-CG 3.27Å; E146-L150 PolarHBondContact O-N 3.1Å |
| 147 | Q | 97.6 | Very high | 97.6 | Very high | 126 Ų | 126 | 109.4 Ų | 109.4 | 59% | 0.589 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.6 | -43.4 | 174.9 | -73.8 | -179.8 | 5.9 | 0 | 0 | 111.8 | R143 K149 L150 V151 | R143-Q147 WeakPolarHBondContact O-CG 3.3Å; R143-Q147 PolarHBondContact O-N 3.16Å; Q147-K149 PolarHBondContact O-N 2.91Å; Q147-L150 PolarHBondContact O-N 3.01Å; Q147-V151 WeakPolarHBondContact O-CG2 3.49Å; Q147-V151 PolarHBondContact O-N 2.92Å |
| 148 | K | 97.8 | Very high | 97.7 | Very high | 129 Ų | 129 | 108 Ų | 108 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.6 | -41.7 | 175.6 | -73.3 | 168 | -175.5 | 166.7 | 0 | 111.9 | E144 R145 E146 V151 M152 | E144-K148 WeakPolarHBondContact O-CB 3.25Å; E144-K148 VanDerWaalsContact O-CG 3.27Å; E144-K148 WeakPolarHBondContact O-CG 3.36Å; E144-K148 PolarHBondContact O-N 3.05Å; R145-K148 PolarHBondContact O-N 2.97Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 PolarHBondContact O-N 2.87Å; K148-V151 PolarHBondContact O-N 3.38Å; K148-M152 WeakPolarHBondContact O-CG 3.41Å; K148-M152 PolarHBondContact O-N 3.49Å |
| 149 | K | 98.1 | Very high | 97.7 | Very high | 142 Ų | 142 | 109.9 Ų | 109.9 | 62% | 0.617 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.2 | -47.9 | 175.4 | -74 | 173.8 | -178.8 | 179.6 | 0 | 111.2 | R145 E146 Q147 V151 M152 E153 | R145-K149 WeakPolarHBondContact O-CG 3.34Å; R145-K149 PolarHBondContact O-N 3.42Å; E146-K149 WeakPolarHBondContact O-CB 3.5Å; E146-K149 PolarHBondContact O-N 3.23Å; E146-K149 VanDerWaalsContact O-N 3.14Å; Q147-K149 PolarHBondContact O-N 2.91Å; K149-V151 PolarHBondContact O-N 3.4Å; K149-M152 PolarHBondContact O-N 2.91Å; K149-E153 WeakPolarHBondContact O-CB 3.41Å; K149-E153 PolarHBondContact O-N 3.47Å |
| 150 | L | 98.2 | Very high | 97.8 | Very high | 118 Ų | 118 | 108.2 Ų | 108.2 | 62% | 0.618 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.6 | -44.5 | 178 | -70.3 | 174.6 | 0 | 0 | 0 | 112 | E146 Q147 M152 E153 E154 | E146-L150 WeakPolarHBondContact O-CG 3.27Å; E146-L150 PolarHBondContact O-N 3.1Å; Q147-L150 PolarHBondContact O-N 3.01Å; L150-M152 VanDerWaalsContact C-N 3.35Å; L150-M152 PolarHBondContact O-N 3.47Å; L150-E153 PolarHBondContact O-N 3.47Å; L150-E154 PolarHBondContact O-N 2.82Å |
| 151 | V | 98.3 | Very high | 97.9 | Very high | 77 Ų | 77 | 110.8 Ų | 110.8 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 177.8 | 171.3 | 0 | 0 | 0 | 0 | 111.9 | Q147 K148 K149 K155 | Q147-V151 WeakPolarHBondContact O-CG2 3.49Å; Q147-V151 PolarHBondContact O-N 2.92Å; K148-V151 PolarHBondContact O-N 3.38Å; K149-V151 PolarHBondContact O-N 3.4Å; V151-K155 HydrophobicContact CG1-CD 4.49Å; V151-K155 WeakPolarHBondContact O-CG 3.49Å; V151-K155 PolarHBondContact O-N 2.83Å; V151-K155 VanDerWaalsContact O-N 3.16Å |
| 152 | M | 97.8 | Very high | 98 | Very high | 112 Ų | 112 | 110 Ų | 110 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.2 | -44.2 | 176 | -71.5 | -163.2 | -57.8 | 0 | 0 | 111.9 | K148 K149 L150 E154 K155 I156 | K148-M152 WeakPolarHBondContact O-CG 3.41Å; K148-M152 PolarHBondContact O-N 3.49Å; K149-M152 PolarHBondContact O-N 2.91Å; L150-M152 VanDerWaalsContact C-N 3.35Å; L150-M152 PolarHBondContact O-N 3.47Å; M152-E154 VanDerWaalsContact C-N 3.33Å; M152-E154 PolarHBondContact O-N 3.49Å; M152-K155 WeakPolarHBondContact O-CB 3.33Å; M152-K155 PolarHBondContact O-N 2.84Å; M152-K155 VanDerWaalsContact O-N 3.1Å; M152-I156 WeakPolarHBondContact O-CG1 3.44Å; M152-I156 PolarHBondContact O-N 2.85Å |
| 153 | E | 98.1 | Very high | 98 | Very high | 90 Ų | 90 | 109 Ų | 109 | 42% | 0.421 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 177.1 | -177.6 | 56.1 | -146.3 | 0 | 0 | 110.9 | K149 L150 K155 I156 Q157 | K149-E153 WeakPolarHBondContact O-CB 3.41Å; K149-E153 PolarHBondContact O-N 3.47Å; L150-E153 PolarHBondContact O-N 3.47Å; E153-K155 VanDerWaalsContact C-N 3.32Å; E153-K155 PolarHBondContact O-N 3.23Å; E153-I156 PolarHBondContact O-N 3.35Å; E153-Q157 WeakPolarHBondContact O-CG 3.43Å; E153-Q157 PolarHBondContact O-N 3.23Å; E153-Q157 WeakPolarHBondContact OE1-CG 3.38Å; E153-Q157 PolarHBondContact OE1-NE2 2.85Å |
| 154 | E | 98.3 | Very high | 98.1 | Very high | 106 Ų | 106 | 110.2 Ų | 110.2 | 50% | 0.495 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.8 | -41.4 | 173.9 | -81.6 | -165.1 | -165.5 | 0 | 0 | 113.1 | L150 M152 Q157 K158 | L150-E154 PolarHBondContact O-N 2.82Å; M152-E154 VanDerWaalsContact C-N 3.33Å; M152-E154 PolarHBondContact O-N 3.49Å; E154-Q157 PolarHBondContact O-N 3.23Å; E154-K158 WeakPolarHBondContact O-CB 3.35Å; E154-K158 VanDerWaalsContact O-CG 3.25Å; E154-K158 WeakPolarHBondContact O-CG 3.46Å; E154-K158 PolarHBondContact O-N 3.02Å; E154-K158 IonicContact OE2-NZ 2.77Å; E154-K158 PolarHBondContact OE2-NZ 3.06Å |
| 155 | K | 98.5 | Very high | 98.1 | Very high | 136 Ų | 136 | 110.1 Ų | 110.1 | 59% | 0.591 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.4 | -44.1 | 177.5 | -75.7 | 174.8 | -179.1 | 180 | 0 | 111 | V151 M152 E153 K158 W159 | V151-K155 HydrophobicContact CG1-CD 4.49Å; V151-K155 WeakPolarHBondContact O-CG 3.49Å; V151-K155 PolarHBondContact O-N 2.83Å; V151-K155 VanDerWaalsContact O-N 3.16Å; M152-K155 WeakPolarHBondContact O-CB 3.33Å; M152-K155 PolarHBondContact O-N 2.84Å; M152-K155 VanDerWaalsContact O-N 3.1Å; E153-K155 VanDerWaalsContact C-N 3.32Å; E153-K155 PolarHBondContact O-N 3.23Å; K155-K158 PolarHBondContact O-N 3.44Å; K155-W159 WeakPolarHBondContact O-CB 3.48Å; K155-W159 PolarHBondContact O-N 3.46Å |
| 156 | I | 98.3 | Very high | 98.1 | Very high | 84 Ų | 84 | 109.8 Ų | 109.8 | 43% | 0.431 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.9 | -47 | 176.3 | -67.4 | 166.1 | 0 | 0 | 0 | 109.7 | M152 E153 K158 W159 L160 | M152-I156 WeakPolarHBondContact O-CG1 3.44Å; M152-I156 PolarHBondContact O-N 2.85Å; E153-I156 PolarHBondContact O-N 3.35Å; I156-K158 PolarHBondContact O-N 3.43Å; I156-W159 PolarHBondContact O-N 3.24Å; I156-L160 HydrophobicContact CG2-CD1 3.93Å; I156-L160 HydrophobicContact CG2-CG 4.31Å; I156-L160 WeakPolarHBondContact O-CB 3.37Å; I156-L160 WeakPolarHBondContact O-CG 3.29Å; I156-L160 PolarHBondContact O-N 3.48Å |
| 157 | Q | 98.5 | Very high | 98.1 | Very high | 93 Ų | 93 | 110.1 Ų | 110.1 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 178.3 | -71.5 | -161.4 | 11.5 | 0 | 0 | 113 | E153 E154 W159 L160 K161 | E153-Q157 WeakPolarHBondContact O-CG 3.43Å; E153-Q157 PolarHBondContact O-N 3.23Å; E153-Q157 WeakPolarHBondContact OE1-CG 3.38Å; E153-Q157 PolarHBondContact OE1-NE2 2.85Å; E154-Q157 PolarHBondContact O-N 3.23Å; Q157-W159 VanDerWaalsContact C-N 3.32Å; Q157-W159 PolarHBondContact O-N 2.91Å; Q157-L160 PolarHBondContact O-N 2.95Å; Q157-K161 WeakPolarHBondContact O-CB 3.36Å; Q157-K161 VanDerWaalsContact O-CG 3.29Å; Q157-K161 WeakPolarHBondContact O-CG 3.32Å; Q157-K161 PolarHBondContact O-N 3.37Å |
| 158 | K | 98.3 | Very high | 98.2 | Very high | 122 Ų | 122 | 109.6 Ų | 109.6 | 53% | 0.53 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 174.5 | -76.1 | 166 | -178.8 | 156.4 | 0 | 110.9 | E154 K155 I156 K161 T162 | E154-K158 WeakPolarHBondContact O-CB 3.35Å; E154-K158 VanDerWaalsContact O-CG 3.25Å; E154-K158 WeakPolarHBondContact O-CG 3.46Å; E154-K158 PolarHBondContact O-N 3.02Å; E154-K158 IonicContact OE2-NZ 2.77Å; E154-K158 PolarHBondContact OE2-NZ 3.06Å; K155-K158 PolarHBondContact O-N 3.44Å; I156-K158 PolarHBondContact O-N 3.43Å; K158-K161 PolarHBondContact O-N 2.98Å; K158-T162 WeakPolarHBondContact O-CB 3.46Å; K158-T162 PolarHBondContact O-N 2.99Å; K158-T162 PolarHBondContact O-OG1 3.36Å |
| 159 | W | 98.3 | Very high | 98.2 | Very high | 151 Ų | 151 | 108 Ų | 108 | 57% | 0.572 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.1 | -45.8 | 176.6 | 178.3 | 78 | 0 | 0 | 0 | 112.3 | K155 I156 Q157 K161 T162 K163 | K155-W159 WeakPolarHBondContact O-CB 3.48Å; K155-W159 PolarHBondContact O-N 3.46Å; I156-W159 PolarHBondContact O-N 3.24Å; Q157-W159 VanDerWaalsContact C-N 3.32Å; Q157-W159 PolarHBondContact O-N 2.91Å; W159-K161 PolarHBondContact O-N 3.47Å; W159-T162 PolarHBondContact O-N 3.2Å; W159-K163 HydrophobicContact CD2-CG 4.29Å; W159-K163 HydrophobicContact CZ2-CG 4.04Å; W159-K163 WeakPolarHBondContact O-CB 3.47Å; W159-K163 PolarHBondContact O-N 2.95Å |
| 160 | L | 98.4 | Very high | 98.2 | Very high | 77 Ų | 77 | 107 Ų | 107 | 40% | 0.403 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 176.5 | -74.7 | 174.5 | 0 | 0 | 0 | 112.2 | I156 Q157 T162 K163 R164 | I156-L160 HydrophobicContact CG2-CD1 3.93Å; I156-L160 HydrophobicContact CG2-CG 4.31Å; I156-L160 WeakPolarHBondContact O-CB 3.37Å; I156-L160 WeakPolarHBondContact O-CG 3.29Å; I156-L160 PolarHBondContact O-N 3.48Å; Q157-L160 PolarHBondContact O-N 2.95Å; L160-T162 VanDerWaalsContact C-N 3.34Å; L160-T162 PolarHBondContact O-N 2.9Å; L160-K163 PolarHBondContact O-N 3.13Å; L160-R164 VanDerWaalsContact O-CB 3.32Å; L160-R164 WeakPolarHBondContact O-CB 3.3Å; L160-R164 PolarHBondContact O-N 3.13Å |
| 161 | K | 98.3 | Very high | 98.2 | Very high | 131 Ų | 131 | 106.1 Ų | 106.1 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.3 | -46.4 | 174.8 | -75.6 | 175 | -178.1 | 177.6 | 0 | 111 | Q157 K158 W159 R164 E165 | Q157-K161 WeakPolarHBondContact O-CB 3.36Å; Q157-K161 VanDerWaalsContact O-CG 3.29Å; Q157-K161 WeakPolarHBondContact O-CG 3.32Å; Q157-K161 PolarHBondContact O-N 3.37Å; K158-K161 PolarHBondContact O-N 2.98Å; W159-K161 PolarHBondContact O-N 3.47Å; K161-R164 PolarHBondContact O-N 2.91Å; K161-E165 WeakPolarHBondContact O-CB 3.37Å; K161-E165 PolarHBondContact O-N 3.3Å |
| 162 | T | 98.3 | Very high | 98.1 | Very high | 80 Ų | 80 | 106.6 Ų | 106.6 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 178.6 | -54.9 | 0 | 0 | 0 | 0 | 111.8 | K158 W159 L160 E165 R166 | K158-T162 WeakPolarHBondContact O-CB 3.46Å; K158-T162 PolarHBondContact O-N 2.99Å; K158-T162 PolarHBondContact O-OG1 3.36Å; W159-T162 PolarHBondContact O-N 3.2Å; L160-T162 VanDerWaalsContact C-N 3.34Å; L160-T162 PolarHBondContact O-N 2.9Å; T162-E165 PolarHBondContact O-N 3.45Å; T162-R166 PolarHBondContact O-N 3.45Å |
| 163 | K | 98.2 | Very high | 98.2 | Very high | 92 Ų | 92 | 104.8 Ų | 104.8 | 40% | 0.4 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 177.3 | -86.1 | -68.8 | -172 | 174 | 0 | 112.3 | W159 L160 E165 R166 E167 | W159-K163 HydrophobicContact CD2-CG 4.29Å; W159-K163 HydrophobicContact CZ2-CG 4.04Å; W159-K163 WeakPolarHBondContact O-CB 3.47Å; W159-K163 PolarHBondContact O-N 2.95Å; L160-K163 PolarHBondContact O-N 3.13Å; K163-E165 VanDerWaalsContact C-N 3.31Å; K163-E165 PolarHBondContact O-N 2.91Å; K163-R166 PolarHBondContact O-N 2.91Å; K163-E167 PolarHBondContact O-N 3.43Å |
| 164 | R | 98.3 | Very high | 98.2 | Very high | 132 Ų | 132 | 107.6 Ų | 107.6 | 50% | 0.498 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 176.9 | -168.9 | -177.5 | -61.6 | 158.7 | 0.4 | 111.8 | L160 K161 E167 R168 | L160-R164 VanDerWaalsContact O-CB 3.32Å; L160-R164 WeakPolarHBondContact O-CB 3.3Å; L160-R164 PolarHBondContact O-N 3.13Å; K161-R164 PolarHBondContact O-N 2.91Å; R164-E167 PolarHBondContact O-N 2.86Å; R164-R168 WeakPolarHBondContact O-CG 3.42Å; R164-R168 PolarHBondContact O-N 3.02Å |
| 165 | E | 97.9 | Very high | 98.1 | Very high | 80 Ų | 80 | 108 Ų | 108 | 37% | 0.374 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.3 | -43.5 | 177.5 | -168.9 | 54.1 | -145.4 | 0 | 0 | 111.6 | K161 T162 K163 E167 R168 Q169 | K161-E165 WeakPolarHBondContact O-CB 3.37Å; K161-E165 PolarHBondContact O-N 3.3Å; T162-E165 PolarHBondContact O-N 3.45Å; K163-E165 VanDerWaalsContact C-N 3.31Å; K163-E165 PolarHBondContact O-N 2.91Å; E165-E167 VanDerWaalsContact C-N 3.31Å; E165-E167 PolarHBondContact O-N 2.92Å; E165-R168 PolarHBondContact O-N 3.28Å; E165-R168 IonicContact OE2-CZ 2.82Å; E165-R168 IonicContact OE2-NH1 3.53Å; E165-R168 PolarHBondContact OE2-NH1 3Å; E165-Q169 VanDerWaalsContact O-CG 3.3Å; E165-Q169 WeakPolarHBondContact O-CG 3.49Å; E165-Q169 PolarHBondContact O-N 2.91Å; E165-Q169 PolarHBondContact OE1-NE2 2.65Å |
| 166 | R | 97.4 | Very high | 98.1 | Very high | 127 Ų | 127 | 108 Ų | 108 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.6 | -46 | 174.3 | -173.1 | -177.3 | -57.4 | 173.7 | 2.3 | 112.1 | T162 K163 R168 Q169 E170 | T162-R166 PolarHBondContact O-N 3.45Å; K163-R166 PolarHBondContact O-N 2.91Å; R166-R168 PolarHBondContact O-N 3.31Å; R166-Q169 PolarHBondContact O-N 2.9Å; R166-E170 WeakPolarHBondContact CG-OE1 3.37Å; R166-E170 WeakPolarHBondContact O-CG 3.49Å; R166-E170 PolarHBondContact O-N 3.41Å |
| 167 | E | 97.9 | Very high | 98.1 | Very high | 108 Ų | 108 | 110.5 Ų | 110.5 | 51% | 0.505 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 178 | -176.1 | -179.5 | -164.2 | 0 | 0 | 111.9 | K163 R164 E165 Q169 E170 Q171 | K163-E167 PolarHBondContact O-N 3.43Å; R164-E167 PolarHBondContact O-N 2.86Å; E165-E167 VanDerWaalsContact C-N 3.31Å; E165-E167 PolarHBondContact O-N 2.92Å; E167-Q169 PolarHBondContact O-N 3.33Å; E167-E170 PolarHBondContact O-N 3.16Å; E167-Q171 WeakPolarHBondContact O-CB 3.34Å; E167-Q171 VanDerWaalsContact O-CG 3.29Å; E167-Q171 WeakPolarHBondContact O-CG 3.35Å; E167-Q171 PolarHBondContact O-N 2.88Å |
| 168 | R | 98.3 | Very high | 98.1 | Very high | 115 Ų | 115 | 111.8 Ų | 111.8 | 43% | 0.434 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 174.6 | -71.3 | 176.8 | -166.4 | 139.8 | -8.1 | 112.1 | R164 E165 R166 E170 Q171 L172 | R164-R168 WeakPolarHBondContact O-CG 3.42Å; R164-R168 PolarHBondContact O-N 3.02Å; E165-R168 PolarHBondContact O-N 3.28Å; E165-R168 IonicContact OE2-CZ 2.82Å; E165-R168 IonicContact OE2-NH1 3.53Å; E165-R168 PolarHBondContact OE2-NH1 3Å; R166-R168 PolarHBondContact O-N 3.31Å; R168-E170 VanDerWaalsContact C-N 3.35Å; R168-Q171 PolarHBondContact O-N 3.32Å; R168-L172 WeakPolarHBondContact O-CG 3.35Å; R168-L172 PolarHBondContact O-N 3.48Å |
| 169 | Q | 97.8 | Very high | 98 | Very high | 95 Ų | 95 | 109 Ų | 109 | 44% | 0.444 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 177.9 | -65.8 | -63.6 | -27.9 | 0 | 0 | 111.1 | E165 R166 E167 Q171 L172 V173 | E165-Q169 VanDerWaalsContact O-CG 3.3Å; E165-Q169 WeakPolarHBondContact O-CG 3.49Å; E165-Q169 PolarHBondContact O-N 2.91Å; E165-Q169 PolarHBondContact OE1-NE2 2.65Å; R166-Q169 PolarHBondContact O-N 2.9Å; E167-Q169 PolarHBondContact O-N 3.33Å; Q169-Q171 PolarHBondContact O-N 3.13Å; Q169-L172 PolarHBondContact O-N 3.42Å; Q169-V173 VanDerWaalsContact O-CG2 3.31Å; Q169-V173 WeakPolarHBondContact O-CG2 3.29Å; Q169-V173 PolarHBondContact O-N 2.91Å |
| 170 | E | 98 | Very high | 98 | Very high | 120 Ų | 120 | 106.2 Ų | 106.2 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62 | -41.6 | 175 | -74.1 | 173.5 | -165.4 | 0 | 0 | 112 | R166 E167 R168 V173 K174 | R166-E170 WeakPolarHBondContact CG-OE1 3.37Å; R166-E170 WeakPolarHBondContact O-CG 3.49Å; R166-E170 PolarHBondContact O-N 3.41Å; E167-E170 PolarHBondContact O-N 3.16Å; R168-E170 VanDerWaalsContact C-N 3.35Å; E170-V173 PolarHBondContact O-N 3.36Å; E170-K174 WeakPolarHBondContact O-CB 3.31Å; E170-K174 PolarHBondContact O-N 2.95Å |
| 171 | Q | 97.9 | Very high | 98 | Very high | 100 Ų | 100 | 108 Ų | 108 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 175.1 | -73.2 | 175.4 | 3.7 | 0 | 0 | 112 | E167 R168 Q169 K174 Q175 | E167-Q171 WeakPolarHBondContact O-CB 3.34Å; E167-Q171 VanDerWaalsContact O-CG 3.29Å; E167-Q171 WeakPolarHBondContact O-CG 3.35Å; E167-Q171 PolarHBondContact O-N 2.88Å; R168-Q171 PolarHBondContact O-N 3.32Å; Q169-Q171 PolarHBondContact O-N 3.13Å; Q171-K174 PolarHBondContact O-N 3.33Å; Q171-Q175 WeakPolarHBondContact O-CG 3.45Å; Q171-Q175 PolarHBondContact O-N 2.94Å |
| 172 | L | 98.1 | Very high | 98 | Very high | 88 Ų | 88 | 106.5 Ų | 106.5 | 46% | 0.461 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 176.6 | -72.9 | 172.9 | 0 | 0 | 0 | 111.6 | R168 Q169 K174 Q175 M176 | R168-L172 WeakPolarHBondContact O-CG 3.35Å; R168-L172 PolarHBondContact O-N 3.48Å; Q169-L172 PolarHBondContact O-N 3.42Å; L172-K174 VanDerWaalsContact C-N 3.29Å; L172-K174 PolarHBondContact O-N 2.93Å; L172-Q175 PolarHBondContact O-N 3.5Å; L172-M176 WeakPolarHBondContact O-CB 3.34Å; L172-M176 WeakPolarHBondContact O-CG 3.47Å; L172-M176 PolarHBondContact O-N 2.93Å |
| 173 | V | 98.2 | Very high | 97.9 | Very high | 73 Ų | 73 | 108.6 Ų | 108.6 | 44% | 0.442 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 176 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | Q169 E170 M176 K177 | Q169-V173 VanDerWaalsContact O-CG2 3.31Å; Q169-V173 WeakPolarHBondContact O-CG2 3.29Å; Q169-V173 PolarHBondContact O-N 2.91Å; E170-V173 PolarHBondContact O-N 3.36Å; V173-M176 PolarHBondContact O-N 2.98Å; V173-K177 HydrophobicContact CG1-CD 4.19Å; V173-K177 WeakPolarHBondContact O-CG 3.5Å; V173-K177 PolarHBondContact O-N 3.48Å |
| 174 | K | 98.2 | Very high | 97.9 | Very high | 150 Ų | 150 | 111 Ų | 111 | 65% | 0.652 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.8 | -45.4 | 177.2 | -169.6 | 176.8 | -179.6 | -178.3 | 0 | 111.6 | E170 Q171 L172 K177 E178 | E170-K174 WeakPolarHBondContact O-CB 3.31Å; E170-K174 PolarHBondContact O-N 2.95Å; Q171-K174 PolarHBondContact O-N 3.33Å; L172-K174 VanDerWaalsContact C-N 3.29Å; L172-K174 PolarHBondContact O-N 2.93Å; K174-K177 PolarHBondContact O-N 3.26Å; K174-E178 WeakPolarHBondContact O-CB 3.1Å; K174-E178 PolarHBondContact O-N 3.25Å |
| 175 | Q | 97.9 | Very high | 97.9 | Very high | 115 Ų | 115 | 109.5 Ų | 109.5 | 54% | 0.537 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 176.4 | -71.8 | 177.7 | 5.6 | 0 | 0 | 112.2 | Q171 L172 K177 E178 T179 | Q171-Q175 WeakPolarHBondContact O-CG 3.45Å; Q171-Q175 PolarHBondContact O-N 2.94Å; L172-Q175 PolarHBondContact O-N 3.5Å; Q175-K177 PolarHBondContact O-N 3.32Å; Q175-E178 PolarHBondContact O-N 3.49Å; Q175-T179 WeakPolarHBondContact O-CB 3.34Å; Q175-T179 WeakPolarHBondContact O-CG2 3.42Å; Q175-T179 PolarHBondContact O-N 3.48Å; Q175-T179 PolarHBondContact O-OG1 3.06Å |
| 176 | M | 97.6 | Very high | 97.9 | Very high | 135 Ų | 135 | 110.4 Ų | 110.4 | 67% | 0.665 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.1 | -43.6 | 175.6 | -75.8 | -67.1 | -173.9 | 0 | 0 | 111.8 | L172 V173 T179 E180 | L172-M176 WeakPolarHBondContact O-CB 3.34Å; L172-M176 WeakPolarHBondContact O-CG 3.47Å; L172-M176 PolarHBondContact O-N 2.93Å; V173-M176 PolarHBondContact O-N 2.98Å; M176-T179 WeakPolarHBondContact CA-OG1 3.49Å; M176-T179 PolarHBondContact O-N 2.86Å; M176-T179 PolarHBondContact O-OG1 3.41Å; M176-E180 WeakPolarHBondContact O-CB 3.48Å; M176-E180 PolarHBondContact O-N 3.32Å |
| 177 | K | 98.1 | Very high | 97.9 | Very high | 137 Ų | 137 | 110.1 Ų | 110.1 | 60% | 0.596 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64 | -43.7 | 176.3 | -73.8 | 176.2 | 179.2 | -178.3 | 0 | 112.6 | V173 K174 Q175 E180 E181 | V173-K177 HydrophobicContact CG1-CD 4.19Å; V173-K177 WeakPolarHBondContact O-CG 3.5Å; V173-K177 PolarHBondContact O-N 3.48Å; K174-K177 PolarHBondContact O-N 3.26Å; Q175-K177 PolarHBondContact O-N 3.32Å; K177-E180 PolarHBondContact O-N 2.9Å; K177-E181 WeakPolarHBondContact O-CB 3.39Å; K177-E181 PolarHBondContact O-N 2.72Å |
| 178 | E | 98.1 | Very high | 97.9 | Very high | 119 Ų | 119 | 111.2 Ų | 111.2 | 56% | 0.556 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.6 | -42.5 | 179.3 | -175.7 | 175.2 | -175.6 | 0 | 0 | 111.8 | K174 Q175 E181 M182 | K174-E178 WeakPolarHBondContact O-CB 3.1Å; K174-E178 PolarHBondContact O-N 3.25Å; Q175-E178 PolarHBondContact O-N 3.49Å; E178-E181 PolarHBondContact O-N 3.24Å; E178-M182 WeakPolarHBondContact O-CB 3.32Å; E178-M182 PolarHBondContact O-N 3.25Å |
| 179 | T | 97.5 | Very high | 97.9 | Very high | 65 Ų | 65 | 112 Ų | 112 | 40% | 0.399 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 176.3 | 52.4 | 0 | 0 | 0 | 0 | 112.2 | Q175 M176 M182 Q183 | Q175-T179 WeakPolarHBondContact O-CB 3.34Å; Q175-T179 WeakPolarHBondContact O-CG2 3.42Å; Q175-T179 PolarHBondContact O-N 3.48Å; Q175-T179 PolarHBondContact O-OG1 3.06Å; M176-T179 WeakPolarHBondContact CA-OG1 3.49Å; M176-T179 PolarHBondContact O-N 2.86Å; M176-T179 PolarHBondContact O-OG1 3.41Å; T179-M182 PolarHBondContact O-N 3.41Å; T179-Q183 VanDerWaalsContact O-CG 3.3Å; T179-Q183 WeakPolarHBondContact O-CG 3.34Å; T179-Q183 PolarHBondContact O-N 2.95Å |
| 180 | E | 98 | Very high | 97.9 | Very high | 91 Ų | 91 | 115 Ų | 115 | 43% | 0.425 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 173.5 | -171.6 | -172.7 | 170.3 | 0 | 0 | 111.4 | M176 K177 Q183 R184 | M176-E180 WeakPolarHBondContact O-CB 3.48Å; M176-E180 PolarHBondContact O-N 3.32Å; K177-E180 PolarHBondContact O-N 2.9Å; E180-Q183 PolarHBondContact O-N 2.94Å; E180-R184 WeakPolarHBondContact O-CG 3.3Å; E180-R184 PolarHBondContact O-N 3.41Å; E180-R184 IonicContact OE1-CZ 3.6Å; E180-R184 IonicContact OE1-NE 2.97Å; E180-R184 PolarHBondContact OE1-NE 3.15Å; E180-R184 IonicContact OE1-NH2 3.97Å; E180-R184 PolarHBondContact OE1-NH2 2.91Å |
| 181 | E | 97.9 | Very high | 97.9 | Very high | 116 Ų | 116 | 114 Ų | 114 | 54% | 0.542 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 177.7 | -171.3 | 176.2 | 177.9 | 0 | 0 | 111.6 | K177 E178 Q183 R184 Q185 | K177-E181 WeakPolarHBondContact O-CB 3.39Å; K177-E181 PolarHBondContact O-N 2.72Å; E178-E181 PolarHBondContact O-N 3.24Å; E181-Q183 VanDerWaalsContact C-N 3.31Å; E181-Q183 PolarHBondContact O-N 3.41Å; E181-R184 PolarHBondContact O-N 2.62Å; E181-Q185 WeakPolarHBondContact O-CG 3.45Å; E181-Q185 PolarHBondContact O-N 3.34Å; E181-Q185 PolarHBondContact OE1-NE2 2.91Å |
| 182 | M | 97.4 | Very high | 98 | Very high | 98 Ų | 98 | 114.8 Ų | 114.8 | 48% | 0.483 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.3 | -43.6 | 174.3 | -172.8 | -170.3 | -59.2 | 0 | 0 | 111.4 | E178 T179 Q185 Q186 | E178-M182 WeakPolarHBondContact O-CB 3.32Å; E178-M182 PolarHBondContact O-N 3.25Å; T179-M182 PolarHBondContact O-N 3.41Å; M182-Q185 PolarHBondContact O-N 3.01Å; M182-Q186 WeakPolarHBondContact O-CG 3.13Å; M182-Q186 PolarHBondContact O-N 3.28Å |
| 183 | Q | 97.8 | Very high | 98 | Very high | 124 Ų | 124 | 115.7 Ų | 115.7 | 58% | 0.579 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.2 | -44.4 | 176.4 | -74.5 | 177.5 | 11.9 | 0 | 0 | 112.1 | T179 E180 E181 Q185 Q186 E187 | T179-Q183 VanDerWaalsContact O-CG 3.3Å; T179-Q183 WeakPolarHBondContact O-CG 3.34Å; T179-Q183 PolarHBondContact O-N 2.95Å; E180-Q183 PolarHBondContact O-N 2.94Å; E181-Q183 VanDerWaalsContact C-N 3.31Å; E181-Q183 PolarHBondContact O-N 3.41Å; Q183-Q185 VanDerWaalsContact C-N 3.31Å; Q183-Q185 PolarHBondContact O-N 3.27Å; Q183-Q186 PolarHBondContact O-N 2.93Å; Q183-E187 WeakPolarHBondContact O-CB 3.38Å; Q183-E187 PolarHBondContact O-N 3.02Å |
| 184 | R | 98.2 | Very high | 98 | Very high | 144 Ų | 144 | 116.1 Ų | 116.1 | 54% | 0.543 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61 | -39.5 | 175.5 | -73.3 | -179.4 | -175.8 | -146.8 | 4.5 | 111.9 | E180 E181 E187 K188 | E180-R184 WeakPolarHBondContact O-CG 3.3Å; E180-R184 PolarHBondContact O-N 3.41Å; E180-R184 IonicContact OE1-CZ 3.6Å; E180-R184 IonicContact OE1-NE 2.97Å; E180-R184 PolarHBondContact OE1-NE 3.15Å; E180-R184 IonicContact OE1-NH2 3.97Å; E180-R184 PolarHBondContact OE1-NH2 2.91Å; E181-R184 PolarHBondContact O-N 2.62Å; R184-E187 PolarHBondContact O-N 2.9Å; R184-K188 VanDerWaalsContact O-CG 3.32Å; R184-K188 WeakPolarHBondContact O-CG 3.39Å; R184-K188 PolarHBondContact O-N 3.49Å |
| 185 | Q | 97.8 | Very high | 98 | Very high | 99 Ų | 99 | 114.5 Ų | 114.5 | 46% | 0.463 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 176 | -70.8 | 179.7 | 12.1 | 0 | 0 | 111.5 | E181 M182 Q183 E187 K188 Q189 | E181-Q185 WeakPolarHBondContact O-CG 3.45Å; E181-Q185 PolarHBondContact O-N 3.34Å; E181-Q185 PolarHBondContact OE1-NE2 2.91Å; M182-Q185 PolarHBondContact O-N 3.01Å; Q183-Q185 VanDerWaalsContact C-N 3.31Å; Q183-Q185 PolarHBondContact O-N 3.27Å; Q185-E187 VanDerWaalsContact C-N 3.34Å; Q185-E187 PolarHBondContact O-N 3.45Å; Q185-K188 PolarHBondContact O-N 3.4Å; Q185-Q189 WeakPolarHBondContact O-CG 3.41Å; Q185-Q189 PolarHBondContact O-N 3.36Å |
| 186 | Q | 97.8 | Very high | 98 | Very high | 100 Ų | 100 | 112.1 Ų | 112.1 | 47% | 0.467 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.9 | -39.1 | 175.5 | -74.2 | -178.2 | 1.4 | 0 | 0 | 112.4 | M182 Q183 Q189 R190 | M182-Q186 WeakPolarHBondContact O-CG 3.13Å; M182-Q186 PolarHBondContact O-N 3.28Å; Q183-Q186 PolarHBondContact O-N 2.93Å; Q186-Q189 PolarHBondContact O-N 2.85Å; Q186-R190 WeakPolarHBondContact O-CG 3.36Å; Q186-R190 PolarHBondContact O-N 2.84Å |
| 187 | E | 98 | Very high | 98 | Very high | 120 Ų | 120 | 109.7 Ų | 109.7 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.7 | -46 | 175.2 | -173 | 174.6 | -160 | 0 | 0 | 111.8 | Q183 R184 Q185 Q189 R190 E191 | Q183-E187 WeakPolarHBondContact O-CB 3.38Å; Q183-E187 PolarHBondContact O-N 3.02Å; R184-E187 PolarHBondContact O-N 2.9Å; Q185-E187 VanDerWaalsContact C-N 3.34Å; Q185-E187 PolarHBondContact O-N 3.45Å; E187-Q189 VanDerWaalsContact C-N 3.3Å; E187-Q189 PolarHBondContact O-N 3.41Å; E187-R190 PolarHBondContact O-N 3.2Å; E187-E191 WeakPolarHBondContact O-CB 3.4Å; E187-E191 PolarHBondContact O-N 3.35Å |
| 188 | K | 98.3 | Very high | 98 | Very high | 132 Ų | 132 | 107.5 Ų | 107.5 | 57% | 0.574 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.7 | -42.9 | 174 | -72.2 | 173.2 | -177.8 | -178.7 | 0 | 112.1 | R184 Q185 E191 I192 | R184-K188 VanDerWaalsContact O-CG 3.32Å; R184-K188 WeakPolarHBondContact O-CG 3.39Å; R184-K188 PolarHBondContact O-N 3.49Å; Q185-K188 PolarHBondContact O-N 3.4Å; K188-E191 PolarHBondContact O-N 3.02Å; K188-I192 VanDerWaalsContact O-CG1 3.28Å; K188-I192 WeakPolarHBondContact O-CG1 3.23Å; K188-I192 PolarHBondContact O-N 2.88Å |
| 189 | Q | 98 | Very high | 98.1 | Very high | 131 Ų | 131 | 109.3 Ų | 109.3 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.5 | -46.8 | 176.6 | -72.9 | 178.8 | -1.4 | 0 | 0 | 111.6 | Q185 Q186 E187 E191 I192 E193 | Q185-Q189 WeakPolarHBondContact O-CG 3.41Å; Q185-Q189 PolarHBondContact O-N 3.36Å; Q186-Q189 PolarHBondContact O-N 2.85Å; E187-Q189 VanDerWaalsContact C-N 3.3Å; E187-Q189 PolarHBondContact O-N 3.41Å; Q189-E191 VanDerWaalsContact C-N 3.3Å; Q189-E191 PolarHBondContact O-N 3.34Å; Q189-I192 PolarHBondContact O-N 2.89Å; Q189-E193 WeakPolarHBondContact O-CB 3.37Å; Q189-E193 PolarHBondContact O-N 3.41Å |
| 190 | R | 98.1 | Very high | 98.1 | Very high | 159 Ų | 159 | 112.8 Ų | 112.8 | 60% | 0.6 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.6 | -38.9 | 175.9 | -74.1 | -171.7 | -68.4 | 167.9 | -0.5 | 112.2 | Q186 E187 E193 C194 | Q186-R190 WeakPolarHBondContact O-CG 3.36Å; Q186-R190 PolarHBondContact O-N 2.84Å; E187-R190 PolarHBondContact O-N 3.2Å; R190-E193 PolarHBondContact O-N 2.93Å; R190-C194 VanDerWaalsContact O-CB 3.23Å; R190-C194 WeakPolarHBondContact O-CB 3.37Å; R190-C194 PolarHBondContact O-N 3.37Å |
| 191 | E | 98.3 | Very high | 98.1 | Very high | 99 Ų | 99 | 115.9 Ų | 115.9 | 46% | 0.463 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 177.5 | -166.4 | -170.8 | 175.4 | 0 | 0 | 111.6 | E187 K188 Q189 E193 C194 K195 | E187-E191 WeakPolarHBondContact O-CB 3.4Å; E187-E191 PolarHBondContact O-N 3.35Å; K188-E191 PolarHBondContact O-N 3.02Å; Q189-E191 VanDerWaalsContact C-N 3.3Å; Q189-E191 PolarHBondContact O-N 3.34Å; E191-E193 VanDerWaalsContact C-N 3.34Å; E191-C194 PolarHBondContact O-N 3.18Å; E191-K195 VanDerWaalsContact CD-NZ 3.33Å; E191-K195 HydrophobicContact CG-CD 4.28Å; E191-K195 WeakPolarHBondContact O-CB 3.26Å; E191-K195 VanDerWaalsContact O-CG 3.26Å; E191-K195 WeakPolarHBondContact O-CG 3.48Å; E191-K195 PolarHBondContact O-N 3.14Å; E191-K195 WeakPolarHBondContact OE1-CE 3.42Å; E191-K195 IonicContact OE1-NZ 3.47Å; E191-K195 PolarHBondContact OE1-NZ 2.94Å |
| 192 | I | 98.4 | Very high | 98.1 | Very high | 115 Ų | 115 | 113.9 Ų | 113.9 | 59% | 0.59 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.2 | -45.1 | 175.7 | -67.4 | 163.7 | 0 | 0 | 0 | 110.4 | K188 Q189 K195 S196 | K188-I192 VanDerWaalsContact O-CG1 3.28Å; K188-I192 WeakPolarHBondContact O-CG1 3.23Å; K188-I192 PolarHBondContact O-N 2.88Å; Q189-I192 PolarHBondContact O-N 2.89Å; I192-K195 PolarHBondContact O-N 3.11Å; I192-S196 WeakPolarHBondContact O-CB 3.28Å; I192-S196 PolarHBondContact O-N 2.85Å |
| 193 | E | 98.2 | Very high | 98.2 | Very high | 108 Ų | 108 | 116 Ų | 116 | 51% | 0.505 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.6 | -50.4 | 178.4 | -170 | -176.6 | 173.5 | 0 | 0 | 110.6 | Q189 R190 E191 K195 S196 Q197 | Q189-E193 WeakPolarHBondContact O-CB 3.37Å; Q189-E193 PolarHBondContact O-N 3.41Å; R190-E193 PolarHBondContact O-N 2.93Å; E191-E193 VanDerWaalsContact C-N 3.34Å; E193-K195 VanDerWaalsContact C-N 3.34Å; E193-K195 PolarHBondContact O-N 3.27Å; E193-S196 PolarHBondContact O-N 2.92Å; E193-S196 PolarHBondContact O-OG 3.07Å; E193-Q197 HydrophobicContact CG-CG 4.39Å; E193-Q197 WeakPolarHBondContact O-CG 3.38Å; E193-Q197 PolarHBondContact O-N 3.33Å; E193-Q197 PolarHBondContact OE1-NE2 2.92Å |
| 194 | C | 98.2 | Very high | 98.2 | Very high | 81 Ų | 81 | 113.3 Ų | 113.3 | 55% | 0.547 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.2 | -45.9 | 177.6 | -173.6 | 0 | 0 | 0 | 0 | 111.7 | R190 E191 S196 Q197 Q198 | R190-C194 VanDerWaalsContact O-CB 3.23Å; R190-C194 WeakPolarHBondContact O-CB 3.37Å; R190-C194 PolarHBondContact O-N 3.37Å; E191-C194 PolarHBondContact O-N 3.18Å; C194-S196 VanDerWaalsContact C-N 3.33Å; C194-S196 PolarHBondContact O-N 3.26Å; C194-Q197 PolarHBondContact O-N 2.85Å; C194-Q198 WeakPolarHBondContact O-CB 3.5Å; C194-Q198 PolarHBondContact O-N 3.38Å |
| 195 | K | 98.5 | Very high | 98.2 | Very high | 117 Ų | 117 | 111.8 Ų | 111.8 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.2 | -40.8 | 175.1 | -75.7 | 173.7 | -178.7 | 170.6 | 0 | 112.1 | E191 I192 E193 K199 | E191-K195 VanDerWaalsContact CD-NZ 3.33Å; E191-K195 HydrophobicContact CG-CD 4.28Å; E191-K195 WeakPolarHBondContact O-CB 3.26Å; E191-K195 VanDerWaalsContact O-CG 3.26Å; E191-K195 WeakPolarHBondContact O-CG 3.48Å; E191-K195 PolarHBondContact O-N 3.14Å; E191-K195 WeakPolarHBondContact OE1-CE 3.42Å; E191-K195 IonicContact OE1-NZ 3.47Å; E191-K195 PolarHBondContact OE1-NZ 2.94Å; I192-K195 PolarHBondContact O-N 3.11Å; E193-K195 VanDerWaalsContact C-N 3.34Å; E193-K195 PolarHBondContact O-N 3.27Å; K195-K199 WeakPolarHBondContact O-CG 3.45Å; K195-K199 PolarHBondContact O-N 2.92Å |
| 196 | S | 97.9 | Very high | 98.2 | Very high | 64 Ų | 64 | 114.3 Ų | 114.3 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.2 | -41.7 | 178.7 | 76.9 | 0 | 0 | 0 | 0 | 112 | I192 E193 C194 K199 Y200 | I192-S196 WeakPolarHBondContact O-CB 3.28Å; I192-S196 PolarHBondContact O-N 2.85Å; E193-S196 PolarHBondContact O-N 2.92Å; E193-S196 PolarHBondContact O-OG 3.07Å; C194-S196 VanDerWaalsContact C-N 3.33Å; C194-S196 PolarHBondContact O-N 3.26Å; S196-K199 PolarHBondContact O-N 3Å; S196-Y200 WeakPolarHBondContact O-CB 3.34Å; S196-Y200 PolarHBondContact O-N 3.3Å |
| 197 | Q | 98.3 | Very high | 98.3 | Very high | 85 Ų | 85 | 113.2 Ų | 113.2 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 176 | -70 | -174.8 | 18.2 | 0 | 0 | 111.2 | E193 C194 Y200 R201 | E193-Q197 HydrophobicContact CG-CG 4.39Å; E193-Q197 WeakPolarHBondContact O-CG 3.38Å; E193-Q197 PolarHBondContact O-N 3.33Å; E193-Q197 PolarHBondContact OE1-NE2 2.92Å; C194-Q197 PolarHBondContact O-N 2.85Å; Q197-Y200 PolarHBondContact O-N 3.4Å; Q197-R201 WeakPolarHBondContact O-CG 3.36Å; Q197-R201 PolarHBondContact O-N 3.07Å |
| 198 | Q | 98.5 | Very high | 98.2 | Very high | 91 Ų | 91 | 111.2 Ų | 111.2 | 43% | 0.425 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -49.4 | 176.4 | -173 | 59.9 | 36 | 0 | 0 | 111 | C194 Y200 R201 D202 | C194-Q198 WeakPolarHBondContact O-CB 3.5Å; C194-Q198 PolarHBondContact O-N 3.38Å; Q198-Y200 VanDerWaalsContact C-N 3.25Å; Q198-Y200 PolarHBondContact O-N 3.41Å; Q198-R201 PolarHBondContact O-N 2.73Å; Q198-R201 VanDerWaalsContact O-N 3.11Å; Q198-D202 PolarHBondContact NE2-OD1 3.43Å; Q198-D202 VanDerWaalsContact O-CG 3.24Å; Q198-D202 PolarHBondContact O-N 3.37Å |
| 199 | K | 98.5 | Very high | 98.2 | Very high | 157 Ų | 157 | 109.6 Ų | 109.6 | 68% | 0.683 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -57.5 | -39.3 | 175.8 | -75.2 | -178.3 | 179.1 | -175.3 | 0 | 112.5 | K195 S196 W203 | K195-K199 WeakPolarHBondContact O-CG 3.45Å; K195-K199 PolarHBondContact O-N 2.92Å; S196-K199 PolarHBondContact O-N 3Å; K199-W203 VanDerWaalsContact O-CB 3.28Å; K199-W203 WeakPolarHBondContact O-CB 3.28Å; K199-W203 PolarHBondContact O-N 3.32Å |
| 200 | Y | 98.3 | Very high | 98.2 | Very high | 137 Ų | 137 | 106.7 Ų | 106.7 | 54% | 0.537 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 176.6 | 176 | -110.5 | 0 | 0 | 0 | 112.1 | S196 Q197 Q198 W203 L204 | S196-Y200 WeakPolarHBondContact O-CB 3.34Å; S196-Y200 PolarHBondContact O-N 3.3Å; Q197-Y200 PolarHBondContact O-N 3.4Å; Q198-Y200 VanDerWaalsContact C-N 3.25Å; Q198-Y200 PolarHBondContact O-N 3.41Å; Y200-W203 HydrophobicContact CD2-CE3 4.18Å; Y200-W203 HydrophobicContact CE2-CE3 4.1Å; Y200-W203 HydrophobicContact CE2-CZ3 4.06Å; Y200-W203 PolarHBondContact O-N 2.93Å; Y200-L204 WeakPolarHBondContact O-CB 3.45Å; Y200-L204 PolarHBondContact O-N 3.43Å |
| 201 | R | 98.5 | Very high | 98.1 | Very high | 157 Ų | 157 | 105.9 Ų | 105.9 | 59% | 0.592 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.4 | -47 | 175.9 | -72.2 | 178.9 | -177 | -172.8 | 2.6 | 111.6 | Q197 Q198 W203 L204 Q205 | Q197-R201 WeakPolarHBondContact O-CG 3.36Å; Q197-R201 PolarHBondContact O-N 3.07Å; Q198-R201 PolarHBondContact O-N 2.73Å; Q198-R201 VanDerWaalsContact O-N 3.11Å; R201-W203 VanDerWaalsContact C-N 3.34Å; R201-W203 PolarHBondContact O-N 3.24Å; R201-L204 PolarHBondContact O-N 2.91Å; R201-Q205 PolarHBondContact O-N 3.4Å |
| 202 | D | 98.4 | Very high | 98.1 | Very high | 74 Ų | 74 | 105.7 Ų | 105.7 | 40% | 0.396 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 178.8 | -63.4 | -19.5 | 0 | 0 | 0 | 111.2 | Q198 Q205 K206 | Q198-D202 PolarHBondContact NE2-OD1 3.43Å; Q198-D202 VanDerWaalsContact O-CG 3.24Å; Q198-D202 PolarHBondContact O-N 3.37Å; D202-Q205 PolarHBondContact O-N 2.9Å; D202-K206 WeakPolarHBondContact O-CB 3.37Å; D202-K206 PolarHBondContact O-N 3.4Å |
| 203 | W | 98.4 | Very high | 98 | Very high | 141 Ų | 141 | 105.7 Ų | 105.7 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 174.8 | 175.2 | 84.3 | 0 | 0 | 0 | 112.1 | K199 Y200 R201 K206 K207 | K199-W203 VanDerWaalsContact O-CB 3.28Å; K199-W203 WeakPolarHBondContact O-CB 3.28Å; K199-W203 PolarHBondContact O-N 3.32Å; Y200-W203 HydrophobicContact CD2-CE3 4.18Å; Y200-W203 HydrophobicContact CE2-CE3 4.1Å; Y200-W203 HydrophobicContact CE2-CZ3 4.06Å; Y200-W203 PolarHBondContact O-N 2.93Å; R201-W203 VanDerWaalsContact C-N 3.34Å; R201-W203 PolarHBondContact O-N 3.24Å; W203-K206 PolarHBondContact O-N 2.95Å; W203-K207 HydrophobicContact CD2-CG 4.14Å; W203-K207 HydrophobicContact CH2-CG 4.36Å; W203-K207 HydrophobicContact CZ2-CD 4.41Å; W203-K207 HydrophobicContact CZ2-CG 3.84Å; W203-K207 WeakPolarHBondContact O-CB 3.48Å; W203-K207 WeakPolarHBondContact O-CG 3.38Å; W203-K207 PolarHBondContact O-N 2.96Å |
| 204 | L | 98.3 | Very high | 97.9 | Very high | 68 Ų | 68 | 105.7 Ų | 105.7 | 36% | 0.356 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 178.5 | -172.8 | 64.5 | 0 | 0 | 0 | 111.1 | Y200 R201 K207 N208 | Y200-L204 WeakPolarHBondContact O-CB 3.45Å; Y200-L204 PolarHBondContact O-N 3.43Å; R201-L204 PolarHBondContact O-N 2.91Å; L204-K207 PolarHBondContact O-N 2.91Å; L204-N208 WeakPolarHBondContact O-CB 3.45Å; L204-N208 VanDerWaalsContact O-CG 3.25Å; L204-N208 PolarHBondContact O-N 3.31Å; L204-N208 PolarHBondContact O-ND2 3.45Å |
| 205 | Q | 98.2 | Very high | 97.9 | Very high | 112 Ų | 112 | 106 Ų | 106 | 52% | 0.523 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 174.9 | -176.9 | 175.5 | -11.7 | 0 | 0 | 111.2 | R201 D202 K207 N208 Q209 | R201-Q205 PolarHBondContact O-N 3.4Å; D202-Q205 PolarHBondContact O-N 2.9Å; Q205-K207 VanDerWaalsContact C-N 3.33Å; Q205-K207 PolarHBondContact O-N 3.21Å; Q205-N208 PolarHBondContact O-N 2.89Å; Q205-Q209 WeakPolarHBondContact O-CG 3.41Å; Q205-Q209 PolarHBondContact O-N 3.45Å |
| 206 | K | 98.3 | Very high | 97.8 | Very high | 152 Ų | 152 | 107.3 Ų | 107.3 | 66% | 0.661 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.2 | -41 | 176.8 | -171.5 | 172.4 | -175.5 | 173.2 | 0 | 111.9 | D202 W203 Q209 E210 | D202-K206 WeakPolarHBondContact O-CB 3.37Å; D202-K206 PolarHBondContact O-N 3.4Å; W203-K206 PolarHBondContact O-N 2.95Å; K206-Q209 PolarHBondContact O-N 3.34Å; K206-E210 WeakPolarHBondContact O-CB 3.45Å; K206-E210 PolarHBondContact O-N 3.39Å |
| 207 | K | 98.1 | Very high | 97.7 | Very high | 78 Ų | 78 | 111 Ų | 111 | 34% | 0.339 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.7 | -38.4 | 176.7 | -82 | -71.3 | 164.8 | -157 | 0 | 112.6 | W203 L204 Q205 E210 K211 | W203-K207 HydrophobicContact CD2-CG 4.14Å; W203-K207 HydrophobicContact CH2-CG 4.36Å; W203-K207 HydrophobicContact CZ2-CD 4.41Å; W203-K207 HydrophobicContact CZ2-CG 3.84Å; W203-K207 WeakPolarHBondContact O-CB 3.48Å; W203-K207 WeakPolarHBondContact O-CG 3.38Å; W203-K207 PolarHBondContact O-N 2.96Å; L204-K207 PolarHBondContact O-N 2.91Å; Q205-K207 VanDerWaalsContact C-N 3.33Å; Q205-K207 PolarHBondContact O-N 3.21Å; K207-E210 IonicContact NZ-OE2 3.29Å; K207-E210 PolarHBondContact NZ-OE2 3.49Å; K207-K211 WeakPolarHBondContact O-CG 3.26Å; K207-K211 PolarHBondContact O-N 3.46Å |
| 208 | N | 97.7 | Very high | 97.6 | Very high | 78 Ų | 78 | 113.1 Ų | 113.1 | 42% | 0.417 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.1 | -41 | 175.9 | -71.1 | -16 | 0 | 0 | 0 | 111.7 | L204 Q205 K211 L212 | L204-N208 WeakPolarHBondContact O-CB 3.45Å; L204-N208 VanDerWaalsContact O-CG 3.25Å; L204-N208 PolarHBondContact O-N 3.31Å; L204-N208 PolarHBondContact O-ND2 3.45Å; Q205-N208 PolarHBondContact O-N 2.89Å; N208-K211 PolarHBondContact O-N 2.96Å; N208-L212 WeakPolarHBondContact O-CG 3.47Å; N208-L212 PolarHBondContact O-N 3.33Å |
| 209 | Q | 97.9 | Very high | 97.5 | Very high | 98 Ų | 98 | 114.7 Ų | 114.7 | 46% | 0.458 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.9 | -47 | 173.2 | -73.8 | 173.9 | -6.5 | 0 | 0 | 111.5 | Q205 K206 K211 L212 E213 | Q205-Q209 WeakPolarHBondContact O-CG 3.41Å; Q205-Q209 PolarHBondContact O-N 3.45Å; K206-Q209 PolarHBondContact O-N 3.34Å; Q209-K211 VanDerWaalsContact C-N 3.32Å; Q209-K211 PolarHBondContact O-N 2.88Å; Q209-L212 PolarHBondContact O-N 2.93Å; Q209-E213 WeakPolarHBondContact O-CG 3.38Å; Q209-E213 PolarHBondContact O-N 3.37Å |
| 210 | E | 97 | Very high | 97.3 | Very high | 69 Ų | 69 | 114 Ų | 114 | 32% | 0.322 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.5 | -42.7 | 176.9 | -170.2 | -165.6 | 155.3 | 0 | 0 | 111.9 | K206 K207 E213 K214 | K206-E210 WeakPolarHBondContact O-CB 3.45Å; K206-E210 PolarHBondContact O-N 3.39Å; K207-E210 IonicContact NZ-OE2 3.29Å; K207-E210 PolarHBondContact NZ-OE2 3.49Å; E210-E213 PolarHBondContact O-N 3.06Å; E210-K214 HydrophobicContact CG-CD 4.41Å; E210-K214 WeakPolarHBondContact O-CB 3.32Å; E210-K214 WeakPolarHBondContact O-CG 3.35Å; E210-K214 PolarHBondContact O-N 2.94Å; E210-K214 WeakPolarHBondContact OE1-CE 3.48Å; E210-K214 IonicContact OE1-NZ 2.85Å; E210-K214 PolarHBondContact OE1-NZ 2.76Å |
| 211 | K | 97.1 | Very high | 97.2 | Very high | 142 Ų | 142 | 112.4 Ų | 112.4 | 62% | 0.617 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.3 | -45.8 | 176 | -76.7 | -178.1 | 176.7 | -174.2 | 0 | 112.1 | K207 N208 Q209 E213 K214 E215 | K207-K211 WeakPolarHBondContact O-CG 3.26Å; K207-K211 PolarHBondContact O-N 3.46Å; N208-K211 PolarHBondContact O-N 2.96Å; Q209-K211 VanDerWaalsContact C-N 3.32Å; Q209-K211 PolarHBondContact O-N 2.88Å; K211-E213 VanDerWaalsContact C-N 3.34Å; K211-E213 PolarHBondContact O-N 2.99Å; K211-K214 PolarHBondContact O-N 2.85Å; K211-E215 WeakPolarHBondContact O-CB 3.18Å; K211-E215 PolarHBondContact O-N 2.65Å |
| 212 | L | 97.1 | Very high | 97 | Very high | 96 Ų | 96 | 107.7 Ų | 107.7 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 177.8 | -74 | 170.3 | 0 | 0 | 0 | 112.1 | N208 Q209 K216 | N208-L212 WeakPolarHBondContact O-CG 3.47Å; N208-L212 PolarHBondContact O-N 3.33Å; Q209-L212 PolarHBondContact O-N 2.93Å; L212-K216 WeakPolarHBondContact O-CB 3.31Å; L212-K216 VanDerWaalsContact O-CG 3.26Å; L212-K216 WeakPolarHBondContact O-CG 3.42Å; L212-K216 PolarHBondContact O-N 3.21Å |
| 213 | E | 96.9 | Very high | 96.8 | Very high | 114 Ų | 114 | 106.6 Ų | 106.6 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 175.8 | -75.3 | -177.1 | -174.1 | 0 | 0 | 112.4 | Q209 E210 K211 K216 K217 | Q209-E213 WeakPolarHBondContact O-CG 3.38Å; Q209-E213 PolarHBondContact O-N 3.37Å; E210-E213 PolarHBondContact O-N 3.06Å; K211-E213 VanDerWaalsContact C-N 3.34Å; K211-E213 PolarHBondContact O-N 2.99Å; E213-K216 PolarHBondContact O-N 2.94Å; E213-K217 WeakPolarHBondContact O-CG 3.44Å; E213-K217 PolarHBondContact O-N 3.41Å |
| 214 | K | 96.6 | Very high | 96.7 | Very high | 109 Ų | 109 | 105 Ų | 105 | 47% | 0.474 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -48.5 | 174 | -77.6 | 173.5 | 170.9 | 172.8 | 0 | 111.2 | E210 K211 K216 K217 E218 | E210-K214 HydrophobicContact CG-CD 4.41Å; E210-K214 WeakPolarHBondContact O-CB 3.32Å; E210-K214 WeakPolarHBondContact O-CG 3.35Å; E210-K214 PolarHBondContact O-N 2.94Å; E210-K214 WeakPolarHBondContact OE1-CE 3.48Å; E210-K214 IonicContact OE1-NZ 2.85Å; E210-K214 PolarHBondContact OE1-NZ 2.76Å; K211-K214 PolarHBondContact O-N 2.85Å; K214-K216 VanDerWaalsContact C-N 3.33Å; K214-K216 PolarHBondContact O-N 2.92Å; K214-K217 PolarHBondContact O-N 3.45Å; K214-K217 VanDerWaalsContact O-N 3.14Å; K214-E218 WeakPolarHBondContact O-CG 3.43Å; K214-E218 PolarHBondContact O-N 3.18Å |
| 215 | E | 96.8 | Very high | 96.5 | Very high | 87 Ų | 87 | 107.2 Ų | 107.2 | 41% | 0.407 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 177.1 | -172.1 | -172.7 | 170 | 0 | 0 | 111.9 | K211 E218 K219 | K211-E215 WeakPolarHBondContact O-CB 3.18Å; K211-E215 PolarHBondContact O-N 2.65Å; E215-E218 PolarHBondContact O-N 2.95Å; E215-K219 HydrophobicContact CG-CD 4.37Å; E215-K219 WeakPolarHBondContact O-CB 3.26Å; E215-K219 VanDerWaalsContact O-CG 3.31Å; E215-K219 WeakPolarHBondContact O-CG 3.47Å; E215-K219 PolarHBondContact O-N 3.48Å; E215-K219 WeakPolarHBondContact OE1-CE 3.37Å; E215-K219 IonicContact OE1-NZ 3.96Å; E215-K219 PolarHBondContact OE1-NZ 2.99Å |
| 216 | K | 96.7 | Very high | 96.4 | Very high | 144 Ų | 144 | 106.8 Ų | 106.8 | 63% | 0.626 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.4 | -43.1 | 174.6 | -77.4 | 176.2 | -179.2 | -177.8 | 0 | 112 | L212 E213 K214 K219 M220 | L212-K216 WeakPolarHBondContact O-CB 3.31Å; L212-K216 VanDerWaalsContact O-CG 3.26Å; L212-K216 WeakPolarHBondContact O-CG 3.42Å; L212-K216 PolarHBondContact O-N 3.21Å; E213-K216 PolarHBondContact O-N 2.94Å; K214-K216 VanDerWaalsContact C-N 3.33Å; K214-K216 PolarHBondContact O-N 2.92Å; K216-K219 PolarHBondContact O-N 3.39Å; K216-M220 VanDerWaalsContact O-CG 3.26Å; K216-M220 WeakPolarHBondContact O-CG 3.4Å; K216-M220 PolarHBondContact O-N 3.47Å |
| 217 | K | 96.1 | Very high | 96.2 | Very high | 143 Ų | 143 | 105.9 Ų | 105.9 | 62% | 0.622 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.7 | -45.4 | 177.2 | -74.5 | 173.7 | -178.6 | 176.2 | 0 | 111.4 | E213 K214 K219 M220 E221 | E213-K217 WeakPolarHBondContact O-CG 3.44Å; E213-K217 PolarHBondContact O-N 3.41Å; K214-K217 PolarHBondContact O-N 3.45Å; K214-K217 VanDerWaalsContact O-N 3.14Å; K217-K219 PolarHBondContact O-N 2.9Å; K217-M220 PolarHBondContact O-N 3.42Å; K217-E221 WeakPolarHBondContact O-CB 3.45Å; K217-E221 PolarHBondContact O-N 3.14Å |
| 218 | E | 95.9 | Very high | 96 | Very high | 128 Ų | 128 | 106.3 Ų | 106.3 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.4 | -41.8 | 176.4 | -72.3 | 170.7 | -166 | 0 | 0 | 111.8 | K214 E215 E221 A222 | K214-E218 WeakPolarHBondContact O-CG 3.43Å; K214-E218 PolarHBondContact O-N 3.18Å; E215-E218 PolarHBondContact O-N 2.95Å; E218-E221 PolarHBondContact O-N 3.38Å; E218-A222 VanDerWaalsContact O-CB 3.28Å; E218-A222 WeakPolarHBondContact O-CB 3.39Å; E218-A222 PolarHBondContact O-N 2.93Å |
| 219 | K | 96.3 | Very high | 95.8 | Very high | 125 Ų | 125 | 106.8 Ų | 106.8 | 54% | 0.543 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 174.5 | -76.1 | 176.8 | -176.8 | 171.8 | 0 | 112.6 | E215 K216 K217 A222 A223 | E215-K219 HydrophobicContact CG-CD 4.37Å; E215-K219 WeakPolarHBondContact O-CB 3.26Å; E215-K219 VanDerWaalsContact O-CG 3.31Å; E215-K219 WeakPolarHBondContact O-CG 3.47Å; E215-K219 PolarHBondContact O-N 3.48Å; E215-K219 WeakPolarHBondContact OE1-CE 3.37Å; E215-K219 IonicContact OE1-NZ 3.96Å; E215-K219 PolarHBondContact OE1-NZ 2.99Å; K216-K219 PolarHBondContact O-N 3.39Å; K217-K219 PolarHBondContact O-N 2.9Å; K219-A222 PolarHBondContact O-N 2.96Å; K219-A223 WeakPolarHBondContact O-CB 3.28Å; K219-A223 PolarHBondContact O-N 3.25Å |
| 220 | M | 94.9 | Very high | 95.6 | Very high | 143 Ų | 143 | 106.7 Ų | 106.7 | 70% | 0.704 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.3 | -40.9 | 177 | -69 | -68.1 | -70.8 | 0 | 0 | 111.8 | K216 K217 A223 L224 | K216-M220 VanDerWaalsContact O-CG 3.26Å; K216-M220 WeakPolarHBondContact O-CG 3.4Å; K216-M220 PolarHBondContact O-N 3.47Å; K217-M220 PolarHBondContact O-N 3.42Å; M220-A223 PolarHBondContact O-N 2.7Å; M220-L224 WeakPolarHBondContact O-CB 3.49Å; M220-L224 PolarHBondContact O-N 2.89Å |
| 221 | E | 95.6 | Very high | 95.5 | Very high | 102 Ų | 102 | 108 Ų | 108 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 176.5 | -169.3 | -174.6 | 160.8 | 0 | 0 | 111.9 | K217 E218 L224 K225 | K217-E221 WeakPolarHBondContact O-CB 3.45Å; K217-E221 PolarHBondContact O-N 3.14Å; E218-E221 PolarHBondContact O-N 3.38Å; E221-L224 PolarHBondContact O-N 2.67Å; E221-K225 WeakPolarHBondContact O-CG 3.43Å; E221-K225 PolarHBondContact O-N 3.21Å; E221-K225 WeakPolarHBondContact OE1-CE 3.48Å; E221-K225 IonicContact OE1-NZ 3.25Å; E221-K225 PolarHBondContact OE1-NZ 2.92Å |
| 222 | A | 94.8 | Very high | 95.4 | Very high | 58 Ų | 58 | 108.4 Ų | 108.4 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E218 K219 L224 K225 E226 | E218-A222 VanDerWaalsContact O-CB 3.28Å; E218-A222 WeakPolarHBondContact O-CB 3.39Å; E218-A222 PolarHBondContact O-N 2.93Å; K219-A222 PolarHBondContact O-N 2.96Å; A222-L224 PolarHBondContact O-N 3.34Å; A222-K225 PolarHBondContact O-N 3.49Å; A222-E226 WeakPolarHBondContact O-CB 3.41Å; A222-E226 PolarHBondContact O-N 3.36Å |
| 223 | A | 95.3 | Very high | 95.3 | Very high | 51 Ų | 51 | 110 Ų | 110 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | K219 M220 E226 E227 | K219-A223 WeakPolarHBondContact O-CB 3.28Å; K219-A223 PolarHBondContact O-N 3.25Å; M220-A223 PolarHBondContact O-N 2.7Å; A223-E226 PolarHBondContact O-N 3.43Å; A223-E227 WeakPolarHBondContact O-CB 3.11Å; A223-E227 PolarHBondContact O-N 3.31Å |
| 224 | L | 94.9 | Very high | 95.3 | Very high | 107 Ų | 107 | 111.9 Ų | 111.9 | 56% | 0.56 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61 | -49.3 | 174.4 | -170.7 | 175.3 | 0 | 0 | 0 | 110.8 | M220 E221 A222 E226 E227 Q228 | M220-L224 WeakPolarHBondContact O-CB 3.49Å; M220-L224 PolarHBondContact O-N 2.89Å; E221-L224 PolarHBondContact O-N 2.67Å; A222-L224 PolarHBondContact O-N 3.34Å; L224-E226 VanDerWaalsContact C-N 3.31Å; L224-E226 PolarHBondContact O-N 3.49Å; L224-E227 PolarHBondContact O-N 2.85Å; L224-Q228 PolarHBondContact O-N 3.41Å |
| 225 | K | 95.1 | Very high | 95.3 | Very high | 116 Ų | 116 | 111.9 Ų | 111.9 | 50% | 0.504 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 178.3 | -74.8 | 176.4 | -175.5 | 166.2 | 0 | 111.8 | E221 A222 Q228 E229 | E221-K225 WeakPolarHBondContact O-CG 3.43Å; E221-K225 PolarHBondContact O-N 3.21Å; E221-K225 WeakPolarHBondContact OE1-CE 3.48Å; E221-K225 IonicContact OE1-NZ 3.25Å; E221-K225 PolarHBondContact OE1-NZ 2.92Å; A222-K225 PolarHBondContact O-N 3.49Å; K225-Q228 PolarHBondContact O-N 3.4Å; K225-E229 WeakPolarHBondContact O-CB 3.38Å; K225-E229 PolarHBondContact O-N 3.39Å |
| 226 | E | 95.4 | Very high | 95.2 | Very high | 102 Ų | 102 | 110.7 Ų | 110.7 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 175.9 | -169.5 | -169.3 | 161 | 0 | 0 | 111.7 | A222 A223 L224 E229 R230 | A222-E226 WeakPolarHBondContact O-CB 3.41Å; A222-E226 PolarHBondContact O-N 3.36Å; A223-E226 PolarHBondContact O-N 3.43Å; L224-E226 VanDerWaalsContact C-N 3.31Å; L224-E226 PolarHBondContact O-N 3.49Å; E226-E229 PolarHBondContact O-N 2.89Å; E226-R230 VanDerWaalsContact O-CB 3.29Å; E226-R230 WeakPolarHBondContact O-CB 3.47Å; E226-R230 PolarHBondContact O-N 2.66Å; E226-R230 IonicContact OE1-CZ 2.67Å; E226-R230 IonicContact OE1-NH2 2.65Å; E226-R230 PolarHBondContact OE1-NH2 3.42Å |
| 227 | E | 94.1 | Very high | 95.1 | Very high | 134 Ų | 134 | 108.9 Ų | 108.9 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.5 | -42.3 | 175.3 | -174.8 | 163.3 | -135.5 | 0 | 0 | 112.2 | A223 L224 E229 R230 E231 | A223-E227 WeakPolarHBondContact O-CB 3.11Å; A223-E227 PolarHBondContact O-N 3.31Å; L224-E227 PolarHBondContact O-N 2.85Å; E227-E229 VanDerWaalsContact C-N 3.35Å; E227-E229 PolarHBondContact O-N 3.47Å; E227-R230 PolarHBondContact O-N 2.87Å; E227-E231 PolarHBondContact O-N 2.88Å |
| 228 | Q | 93.5 | Very high | 95.1 | Very high | 86 Ų | 86 | 107.6 Ų | 107.6 | 40% | 0.402 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 174.7 | -168.9 | -175.9 | 34.4 | 0 | 0 | 111.6 | L224 K225 E231 R232 | L224-Q228 PolarHBondContact O-N 3.41Å; K225-Q228 PolarHBondContact O-N 3.4Å; Q228-E231 PolarHBondContact O-N 3.28Å; Q228-R232 VanDerWaalsContact NE2-NH2 3.14Å; Q228-R232 WeakPolarHBondContact O-CG 3.39Å; Q228-R232 PolarHBondContact O-N 3.38Å |
| 229 | E | 94 | Very high | 95.1 | Very high | 88 Ų | 88 | 107.5 Ų | 107.5 | 41% | 0.411 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 176.7 | -162.3 | -168.2 | -165.7 | 0 | 0 | 111.5 | K225 E226 E227 E231 R232 R233 | K225-E229 WeakPolarHBondContact O-CB 3.38Å; K225-E229 PolarHBondContact O-N 3.39Å; E226-E229 PolarHBondContact O-N 2.89Å; E227-E229 VanDerWaalsContact C-N 3.35Å; E227-E229 PolarHBondContact O-N 3.47Å; E229-E231 VanDerWaalsContact C-N 3.34Å; E229-E231 PolarHBondContact O-N 2.94Å; E229-R232 PolarHBondContact O-N 3.38Å; E229-R233 VanDerWaalsContact CD-CZ 3.41Å; E229-R233 WeakPolarHBondContact O-CG 3.29Å; E229-R233 PolarHBondContact O-N 2.85Å; E229-R233 IonicContact OE1-CZ 2.76Å; E229-R233 IonicContact OE1-NH1 2.72Å; E229-R233 IonicContact OE1-NH2 2.65Å; E229-R233 PolarHBondContact OE1-NH2 3.48Å; E229-R233 IonicContact OE2-CZ 3.38Å; E229-R233 IonicContact OE2-NH1 3.38Å; E229-R233 PolarHBondContact OE2-NH1 3.28Å; E229-R233 IonicContact OE2-NH2 2.74Å; E229-R233 PolarHBondContact OE2-NH2 3.47Å |
| 230 | R | 94.1 | Very high | 95 | Very high | 97 Ų | 97 | 107 Ų | 107 | 37% | 0.366 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 173.9 | -173.4 | -175 | -71 | 104.1 | 1.1 | 111.6 | E226 E227 R233 R234 | E226-R230 VanDerWaalsContact O-CB 3.29Å; E226-R230 WeakPolarHBondContact O-CB 3.47Å; E226-R230 PolarHBondContact O-N 2.66Å; E226-R230 IonicContact OE1-CZ 2.67Å; E226-R230 IonicContact OE1-NH2 2.65Å; E226-R230 PolarHBondContact OE1-NH2 3.42Å; E227-R230 PolarHBondContact O-N 2.87Å; R230-R233 PolarHBondContact O-N 3.24Å; R230-R234 WeakPolarHBondContact O-CG 3.45Å; R230-R234 PolarHBondContact O-N 2.82Å |
| 231 | E | 94.2 | Very high | 95.1 | Very high | 97 Ų | 97 | 106.4 Ų | 106.4 | 45% | 0.453 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -43.4 | 175 | -164 | -156.4 | -176.6 | 0 | 0 | 111.4 | E227 Q228 E229 R233 R234 K235 | E227-E231 PolarHBondContact O-N 2.88Å; Q228-E231 PolarHBondContact O-N 3.28Å; E229-E231 VanDerWaalsContact C-N 3.34Å; E229-E231 PolarHBondContact O-N 2.94Å; E231-R233 VanDerWaalsContact C-N 3.34Å; E231-R233 PolarHBondContact O-N 3.28Å; E231-R234 PolarHBondContact O-N 3.29Å; E231-K235 WeakPolarHBondContact O-CG 3.4Å; E231-K235 PolarHBondContact O-N 3.47Å; E231-K235 WeakPolarHBondContact OE1-CE 3.46Å; E231-K235 IonicContact OE1-NZ 3.42Å; E231-K235 PolarHBondContact OE1-NZ 2.91Å; E231-K235 IonicContact OE2-NZ 2.62Å; E231-K235 PolarHBondContact OE2-NZ 3.38Å |
| 232 | R | 95.6 | Very high | 95 | Very high | 149 Ų | 149 | 105.1 Ų | 105.1 | 56% | 0.562 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.7 | -43.4 | 173.9 | -71.8 | -177.9 | -166.7 | 145.5 | 5.6 | 111.8 | Q228 E229 K235 A236 | Q228-R232 VanDerWaalsContact NE2-NH2 3.14Å; Q228-R232 WeakPolarHBondContact O-CG 3.39Å; Q228-R232 PolarHBondContact O-N 3.38Å; E229-R232 PolarHBondContact O-N 3.38Å; R232-K235 PolarHBondContact O-N 2.98Å; R232-A236 WeakPolarHBondContact O-CB 3.17Å; R232-A236 PolarHBondContact O-N 2.91Å |
| 233 | R | 95.5 | Very high | 94.9 | Very high | 130 Ų | 130 | 109.9 Ų | 109.9 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 174.5 | -74.9 | -172.8 | -178 | 101.7 | 5.5 | 111.4 | E229 R230 E231 K235 A236 E237 | E229-R233 VanDerWaalsContact CD-CZ 3.41Å; E229-R233 WeakPolarHBondContact O-CG 3.29Å; E229-R233 PolarHBondContact O-N 2.85Å; E229-R233 IonicContact OE1-CZ 2.76Å; E229-R233 IonicContact OE1-NH1 2.72Å; E229-R233 IonicContact OE1-NH2 2.65Å; E229-R233 PolarHBondContact OE1-NH2 3.48Å; E229-R233 IonicContact OE2-CZ 3.38Å; E229-R233 IonicContact OE2-NH1 3.38Å; E229-R233 PolarHBondContact OE2-NH1 3.28Å; E229-R233 IonicContact OE2-NH2 2.74Å; E229-R233 PolarHBondContact OE2-NH2 3.47Å; R230-R233 PolarHBondContact O-N 3.24Å; E231-R233 VanDerWaalsContact C-N 3.34Å; E231-R233 PolarHBondContact O-N 3.28Å; R233-K235 PolarHBondContact O-N 2.86Å; R233-A236 PolarHBondContact O-N 2.89Å; R233-E237 WeakPolarHBondContact O-CG 3.42Å; R233-E237 PolarHBondContact O-N 3.42Å |
| 234 | R | 95.6 | Very high | 94.7 | Very high | 154 Ų | 154 | 110.5 Ų | 110.5 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58 | -46.6 | 177.1 | -75.2 | -179.6 | -179.7 | 175 | 1.3 | 112.5 | R230 E231 A236 E237 E238 | R230-R234 WeakPolarHBondContact O-CG 3.45Å; R230-R234 PolarHBondContact O-N 2.82Å; E231-R234 PolarHBondContact O-N 3.29Å; R234-A236 VanDerWaalsContact C-N 3.33Å; R234-A236 PolarHBondContact O-N 3.37Å; R234-E237 PolarHBondContact O-N 3.01Å; R234-E238 WeakPolarHBondContact O-CG 3.36Å; R234-E238 PolarHBondContact O-N 2.93Å |
| 235 | K | 96.1 | Very high | 94.5 | Very high | 108 Ų | 108 | 109 Ų | 109 | 47% | 0.47 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 176.6 | -73.9 | 175.9 | -178.2 | 164.6 | 0 | 112.1 | E231 R232 R233 K239 | E231-K235 WeakPolarHBondContact O-CG 3.4Å; E231-K235 PolarHBondContact O-N 3.47Å; E231-K235 WeakPolarHBondContact OE1-CE 3.46Å; E231-K235 IonicContact OE1-NZ 3.42Å; E231-K235 PolarHBondContact OE1-NZ 2.91Å; E231-K235 IonicContact OE2-NZ 2.62Å; E231-K235 PolarHBondContact OE2-NZ 3.38Å; R232-K235 PolarHBondContact O-N 2.98Å; R233-K235 PolarHBondContact O-N 2.86Å; K235-K239 WeakPolarHBondContact O-CB 3.38Å; K235-K239 WeakPolarHBondContact O-CG 3.49Å; K235-K239 PolarHBondContact O-N 2.84Å |
| 236 | A | 95.5 | Very high | 94.2 | Very high | 63 Ų | 63 | 109.1 Ų | 109.1 | 52% | 0.521 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R232 R233 R234 K239 F240 | R232-A236 WeakPolarHBondContact O-CB 3.17Å; R232-A236 PolarHBondContact O-N 2.91Å; R233-A236 PolarHBondContact O-N 2.89Å; R234-A236 VanDerWaalsContact C-N 3.33Å; R234-A236 PolarHBondContact O-N 3.37Å; A236-K239 PolarHBondContact O-N 2.67Å; A236-F240 WeakPolarHBondContact O-CB 3.34Å; A236-F240 PolarHBondContact O-N 3.05Å |
| 237 | E | 95.3 | Very high | 93.6 | Very high | 106 Ų | 106 | 105.3 Ų | 105.3 | 50% | 0.495 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 175.5 | -72.9 | 172 | -157.8 | 0 | 0 | 112.5 | R233 R234 F240 K241 | R233-E237 WeakPolarHBondContact O-CG 3.42Å; R233-E237 PolarHBondContact O-N 3.42Å; R234-E237 PolarHBondContact O-N 3.01Å; E237-F240 PolarHBondContact O-N 2.82Å; E237-K241 WeakPolarHBondContact O-CG 3.36Å; E237-K241 PolarHBondContact O-N 3.46Å |
| 238 | E | 95.8 | Very high | 92.9 | Very high | 115 Ų | 115 | 103.7 Ų | 103.7 | 54% | 0.537 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.7 | -47 | 173.9 | -75.5 | 174.1 | -177 | 0 | 0 | 111.3 | R234 F240 K241 E242 | R234-E238 WeakPolarHBondContact O-CG 3.36Å; R234-E238 PolarHBondContact O-N 2.93Å; E238-F240 VanDerWaalsContact C-N 3.3Å; E238-F240 PolarHBondContact O-N 3.48Å; E238-K241 PolarHBondContact O-N 3.26Å; E238-E242 WeakPolarHBondContact O-CG 3.46Å; E238-E242 PolarHBondContact O-N 2.89Å |
| 239 | K | 95.8 | Very high | 92 | Very high | 126 Ų | 126 | 106.9 Ų | 106.9 | 55% | 0.548 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -38.1 | 175.3 | -73.4 | -65.3 | 172 | -150.3 | 0 | 112.7 | K235 A236 E242 W243 | K235-K239 WeakPolarHBondContact O-CB 3.38Å; K235-K239 WeakPolarHBondContact O-CG 3.49Å; K235-K239 PolarHBondContact O-N 2.84Å; A236-K239 PolarHBondContact O-N 2.67Å; K239-E242 IonicContact NZ-OE1 3.24Å; K239-E242 PolarHBondContact NZ-OE1 3.34Å; K239-E242 IonicContact NZ-OE2 3.04Å; K239-E242 PolarHBondContact NZ-OE2 2.89Å; K239-E242 PolarHBondContact O-N 3.41Å; K239-W243 WeakPolarHBondContact O-CB 3.46Å; K239-W243 PolarHBondContact O-N 2.85Å |
| 240 | F | 94.9 | Very high | 90.7 | Very high | 114 Ų | 114 | 110.2 Ų | 110.2 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 174.3 | 178.1 | -109.4 | 0 | 0 | 0 | 111.6 | A236 E237 E238 W243 L244 | A236-F240 WeakPolarHBondContact O-CB 3.34Å; A236-F240 PolarHBondContact O-N 3.05Å; E237-F240 PolarHBondContact O-N 2.82Å; E238-F240 VanDerWaalsContact C-N 3.3Å; E238-F240 PolarHBondContact O-N 3.48Å; F240-W243 HydrophobicContact CD2-CE3 4.11Å; F240-W243 AromaticContact CE2-CE3 3.99Å; F240-W243 HydrophobicContact CE2-CE3 3.99Å; F240-W243 AromaticContact CE2-CZ3 3.96Å; F240-W243 HydrophobicContact CE2-CZ3 3.96Å; F240-W243 WeakPolarHBondContact O-CB 3.22Å; F240-W243 PolarHBondContact O-N 3.36Å; F240-L244 HydrophobicContact CD1-CD1 3.98Å; F240-L244 HydrophobicContact CD1-CG 4.41Å; F240-L244 HydrophobicContact CE1-CD1 3.43Å; F240-L244 VanDerWaalsContact CE1-CD1 3.43Å; F240-L244 HydrophobicContact CE1-CG 4.02Å; F240-L244 HydrophobicContact CE2-CD2 4.37Å; F240-L244 HydrophobicContact CE2-CG 4.27Å; F240-L244 HydrophobicContact CZ-CD1 3.76Å; F240-L244 HydrophobicContact CZ-CD2 4.06Å; F240-L244 HydrophobicContact CZ-CG 3.94Å; F240-L244 WeakPolarHBondContact O-CG 3.29Å; F240-L244 PolarHBondContact O-N 3.44Å |
| 241 | K | 95.4 | Very high | 89.2 | Confident | 132 Ų | 132 | 111.5 Ų | 111.5 | 57% | 0.574 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.9 | -44.9 | 174.6 | -73.2 | 173.9 | -177.7 | 174.2 | 0 | 112 | E237 E238 W243 L244 T245 | E237-K241 WeakPolarHBondContact O-CG 3.36Å; E237-K241 PolarHBondContact O-N 3.46Å; E238-K241 PolarHBondContact O-N 3.26Å; K241-W243 VanDerWaalsContact C-N 3.3Å; K241-W243 PolarHBondContact O-N 3.41Å; K241-L244 PolarHBondContact O-N 2.95Å; K241-T245 WeakPolarHBondContact O-CG2 3.41Å; K241-T245 PolarHBondContact O-N 3.21Å; K241-T245 PolarHBondContact O-OG1 3.04Å |
| 242 | E | 93.3 | Very high | 87.5 | Confident | 75 Ų | 75 | 118.1 Ų | 118.1 | 35% | 0.35 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -56.6 | -45.6 | 173.1 | -76.1 | 179.2 | -156.3 | 0 | 0 | 111.2 | E238 K239 T245 K246 | E238-E242 WeakPolarHBondContact O-CG 3.46Å; E238-E242 PolarHBondContact O-N 2.89Å; K239-E242 IonicContact NZ-OE1 3.24Å; K239-E242 PolarHBondContact NZ-OE1 3.34Å; K239-E242 IonicContact NZ-OE2 3.04Å; K239-E242 PolarHBondContact NZ-OE2 2.89Å; K239-E242 PolarHBondContact O-N 3.41Å; E242-T245 PolarHBondContact O-N 3.24Å; E242-T245 PolarHBondContact O-OG1 2.77Å; E242-K246 WeakPolarHBondContact O-CB 3.49Å; E242-K246 WeakPolarHBondContact O-CG 3.3Å; E242-K246 PolarHBondContact O-N 2.93Å |
| 243 | W | 94.4 | Very high | 85.7 | Confident | 157 Ų | 157 | 114.9 Ų | 114.9 | 60% | 0.595 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.6 | -44.9 | 177 | 177.6 | 79.8 | 0 | 0 | 0 | 112 | K239 F240 K241 T245 K246 A247 | K239-W243 WeakPolarHBondContact O-CB 3.46Å; K239-W243 PolarHBondContact O-N 2.85Å; F240-W243 HydrophobicContact CD2-CE3 4.11Å; F240-W243 AromaticContact CE2-CE3 3.99Å; F240-W243 HydrophobicContact CE2-CE3 3.99Å; F240-W243 AromaticContact CE2-CZ3 3.96Å; F240-W243 HydrophobicContact CE2-CZ3 3.96Å; F240-W243 WeakPolarHBondContact O-CB 3.22Å; F240-W243 PolarHBondContact O-N 3.36Å; K241-W243 VanDerWaalsContact C-N 3.3Å; K241-W243 PolarHBondContact O-N 3.41Å; W243-T245 PolarHBondContact O-N 2.99Å; W243-K246 PolarHBondContact O-N 3.35Å; W243-A247 VanDerWaalsContact O-CB 3.29Å; W243-A247 WeakPolarHBondContact O-CB 3.43Å; W243-A247 PolarHBondContact O-N 3.19Å |
| 244 | L | 91.1 | Very high | 83.5 | Confident | 64 Ų | 64 | 114.5 Ų | 114.5 | 34% | 0.335 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -57.8 | -45.5 | 175.2 | -76.2 | 179.8 | 0 | 0 | 0 | 111.8 | F240 K241 K246 A247 N248 | F240-L244 HydrophobicContact CD1-CD1 3.98Å; F240-L244 HydrophobicContact CD1-CG 4.41Å; F240-L244 HydrophobicContact CE1-CD1 3.43Å; F240-L244 VanDerWaalsContact CE1-CD1 3.43Å; F240-L244 HydrophobicContact CE1-CG 4.02Å; F240-L244 HydrophobicContact CE2-CD2 4.37Å; F240-L244 HydrophobicContact CE2-CG 4.27Å; F240-L244 HydrophobicContact CZ-CD1 3.76Å; F240-L244 HydrophobicContact CZ-CD2 4.06Å; F240-L244 HydrophobicContact CZ-CG 3.94Å; F240-L244 WeakPolarHBondContact O-CG 3.29Å; F240-L244 PolarHBondContact O-N 3.44Å; K241-L244 PolarHBondContact O-N 2.95Å; L244-K246 PolarHBondContact O-N 3.45Å; L244-A247 PolarHBondContact O-N 2.74Å; L244-N248 VanDerWaalsContact O-CB 3.3Å; L244-N248 WeakPolarHBondContact O-CB 3.49Å; L244-N248 VanDerWaalsContact O-CG 3.22Å; L244-N248 PolarHBondContact O-N 3.04Å; L244-N248 PolarHBondContact O-ND2 2.86Å |
| 245 | T | 90.2 | Very high | 81.4 | Confident | 75 Ų | 75 | 111.9 Ų | 111.9 | 46% | 0.46 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 177.6 | 63 | 0 | 0 | 0 | 0 | 112.2 | K241 E242 W243 K249 | K241-T245 WeakPolarHBondContact O-CG2 3.41Å; K241-T245 PolarHBondContact O-N 3.21Å; K241-T245 PolarHBondContact O-OG1 3.04Å; E242-T245 PolarHBondContact O-N 3.24Å; E242-T245 PolarHBondContact O-OG1 2.77Å; W243-T245 PolarHBondContact O-N 2.99Å; T245-K249 WeakPolarHBondContact O-CB 3.38Å; T245-K249 VanDerWaalsContact O-CG 3.22Å; T245-K249 WeakPolarHBondContact O-CG 3.3Å; T245-K249 PolarHBondContact O-N 3.4Å |
| 246 | K | 88.4 | Confident | 79.4 | Confident | 120 Ų | 120 | 115.6 Ų | 115.6 | 52% | 0.522 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.3 | -42.4 | 175.1 | -75.1 | 172.1 | -179 | 167.9 | 0 | 112.1 | E242 W243 L244 K249 K250 | E242-K246 WeakPolarHBondContact O-CB 3.49Å; E242-K246 WeakPolarHBondContact O-CG 3.3Å; E242-K246 PolarHBondContact O-N 2.93Å; W243-K246 PolarHBondContact O-N 3.35Å; L244-K246 PolarHBondContact O-N 3.45Å; K246-K249 PolarHBondContact O-N 3.49Å; K246-K250 WeakPolarHBondContact O-CG 3.5Å; K246-K250 PolarHBondContact O-N 3.36Å |
| 247 | A | 83.8 | Confident | 76.9 | Confident | 22 Ų | 22 | 118.4 Ų | 118.4 | 18% | 0.182 | 57% | 0.572 | C | S | . | * | H | α-helix | trans | -63.7 | -46.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | W243 L244 K249 K250 I251 | W243-A247 VanDerWaalsContact O-CB 3.29Å; W243-A247 WeakPolarHBondContact O-CB 3.43Å; W243-A247 PolarHBondContact O-N 3.19Å; L244-A247 PolarHBondContact O-N 2.74Å; A247-K249 VanDerWaalsContact C-N 3.33Å; A247-K249 PolarHBondContact O-N 3.41Å; A247-K250 WeakPolarHBondContact O-CB 3.33Å; A247-K250 PolarHBondContact O-N 2.99Å; A247-K250 VanDerWaalsContact O-N 3.09Å; A247-I251 VanDerWaalsContact O-CG1 3.29Å; A247-I251 WeakPolarHBondContact O-CG1 3.5Å; A247-I251 PolarHBondContact O-N 3.21Å |
| 248 | N | 78.5 | Confident | 74.8 | Confident | 100 Ų | 100 | 121 Ų | 121 | 54% | 0.535 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.8 | -39.1 | 175.3 | -72.6 | -19.7 | 0 | 0 | 0 | 112.2 | L244 R252 | L244-N248 VanDerWaalsContact O-CB 3.3Å; L244-N248 WeakPolarHBondContact O-CB 3.49Å; L244-N248 VanDerWaalsContact O-CG 3.22Å; L244-N248 PolarHBondContact O-N 3.04Å; L244-N248 PolarHBondContact O-ND2 2.86Å; N248-R252 VanDerWaalsContact O-CB 3.3Å; N248-R252 WeakPolarHBondContact O-CB 3.37Å; N248-R252 PolarHBondContact O-N 3.42Å |
| 249 | K | 75.3 | Confident | 72.5 | Confident | 152 Ų | 152 | 120.8 Ų | 120.8 | 66% | 0.661 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61 | -42.2 | 171.7 | -75.8 | 172.8 | -178.1 | -177 | 0 | 112.1 | T245 K246 A247 R252 A253 | T245-K249 WeakPolarHBondContact O-CB 3.38Å; T245-K249 VanDerWaalsContact O-CG 3.22Å; T245-K249 WeakPolarHBondContact O-CG 3.3Å; T245-K249 PolarHBondContact O-N 3.4Å; K246-K249 PolarHBondContact O-N 3.49Å; A247-K249 VanDerWaalsContact C-N 3.33Å; A247-K249 PolarHBondContact O-N 3.41Å; K249-R252 PolarHBondContact O-N 3.38Å; K249-A253 WeakPolarHBondContact O-CB 3.25Å; K249-A253 PolarHBondContact O-N 2.85Å; K249-A253 VanDerWaalsContact O-N 3.16Å |
| 250 | K | 66.3 | Low | 70 | Confident | 159 Ų | 159 | 121.4 Ų | 121.4 | 69% | 0.691 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.8 | -43.3 | 177.2 | -72.4 | 179.1 | 179.2 | -170.9 | 0 | 112.8 | K246 A247 R252 A253 L254 | K246-K250 WeakPolarHBondContact O-CG 3.5Å; K246-K250 PolarHBondContact O-N 3.36Å; A247-K250 WeakPolarHBondContact O-CB 3.33Å; A247-K250 PolarHBondContact O-N 2.99Å; A247-K250 VanDerWaalsContact O-N 3.09Å; K250-R252 VanDerWaalsContact C-N 3.27Å; K250-R252 PolarHBondContact O-N 2.76Å; K250-A253 PolarHBondContact O-N 3.22Å; K250-A253 VanDerWaalsContact O-N 3.08Å; K250-L254 PolarHBondContact O-N 2.89Å |
| 251 | I | 63 | Low | 67.9 | Low | 124 Ų | 124 | 121.1 Ų | 121.1 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.1 | -35.1 | 176.6 | -65.4 | 162.9 | 0 | 0 | 0 | 110.6 | A247 A253 | A247-I251 VanDerWaalsContact O-CG1 3.29Å; A247-I251 WeakPolarHBondContact O-CG1 3.5Å; A247-I251 PolarHBondContact O-N 3.21Å; I251-A253 VanDerWaalsContact C-N 3.27Å; I251-A253 PolarHBondContact O-N 2.98Å |
| 252 | R | 58.5 | Low | 66 | Low | 235 Ų | 235 | 119.2 Ų | 119.2 | 89% | 0.887 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -75.2 | -16.1 | 175.2 | -153.7 | 174.2 | -161.8 | -155.5 | 3.5 | 113.5 | N248 K249 K250 | N248-R252 VanDerWaalsContact O-CB 3.3Å; N248-R252 WeakPolarHBondContact O-CB 3.37Å; N248-R252 PolarHBondContact O-N 3.42Å; K249-R252 PolarHBondContact O-N 3.38Å; K250-R252 VanDerWaalsContact C-N 3.27Å; K250-R252 PolarHBondContact O-N 2.76Å |
| 253 | A | 57.6 | Low | 64.2 | Low | 81 Ų | 81 | 119.6 Ų | 119.6 | 67% | 0.669 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -99.7 | -5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | K249 K250 I251 | K249-A253 WeakPolarHBondContact O-CB 3.25Å; K249-A253 PolarHBondContact O-N 2.85Å; K249-A253 VanDerWaalsContact O-N 3.16Å; K250-A253 PolarHBondContact O-N 3.22Å; K250-A253 VanDerWaalsContact O-N 3.08Å; I251-A253 VanDerWaalsContact C-N 3.27Å; I251-A253 PolarHBondContact O-N 2.98Å |
| 254 | L | 48.8 | Very low | 62.5 | Low | 122 Ų | 122 | 117.4 Ų | 117.4 | 64% | 0.639 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -113.9 | 128.4 | 178.8 | -165.6 | 67.7 | 0 | 0 | 0 | 110.9 | K250 K256 | K250-L254 PolarHBondContact O-N 2.89Å; L254-K256 PolarHBondContact O-N 2.9Å |
| 255 | P | 50.9 | Low | 60.8 | Low | 99 Ų | 99 | 123.3 Ų | 123.3 | 64% | 0.643 | 67% | 0.671 | S | S | * | * | trans | -59.6 | 136.6 | 171.4 | -16.2 | 29.3 | 0 | 0 | 0 | 109.4 | T257 | P255-T257 PolarHBondContact O-N 2.98Š| ||
| 256 | K | 54.5 | Low | 59 | Low | 187 Ų | 187 | 126.2 Ų | 126.2 | 81% | 0.813 | 68% | 0.684 | S | S | * | * | trans | -58.6 | 95.2 | -179.5 | -149.8 | 160.3 | -174.6 | 173.8 | 0 | 109.3 | L254 | L254-K256 PolarHBondContact O-N 2.9Š| ||
| 257 | T | 44.2 | Very low | 57.6 | Low | 122 Ų | 122 | 129.6 Ų | 129.6 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | trans | -107.4 | 116.9 | 168.9 | 48.2 | 0 | 0 | 0 | 0 | 109.3 | P255 | P255-T257 PolarHBondContact O-N 2.98Š| ||
| 258 | H | 51.2 | Low | 56.6 | Low | 160 Ų | 160 | 135.4 Ų | 135.4 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | trans | -73.4 | 123.6 | 176.8 | -43.5 | -93.8 | 0 | 0 | 0 | 108 | ||||
| 259 | S | 46.1 | Very low | 55.9 | Low | 110 Ų | 110 | 138.4 Ų | 138.4 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | trans | 162 | 101 | 141.9 | 56.9 | 0 | 0 | 0 | 0 | 110.3 | S261 | S259-S261 PolarHBondContact O-N 3.42Å; S259-S261 VanDerWaalsContact O-N 3.17Å | ||
| 260 | C | 42.9 | Very low | 55.6 | Low | 140 Ų | 140 | 136.5 Ų | 136.5 | 95% | 0.946 | 74% | 0.74 | S | S | * | * | trans | -71 | 99.5 | 153.7 | -89.9 | 0 | 0 | 0 | 0 | 107.2 | A262 | C260-A262 PolarHBondContact O-N 3.48Š| ||
| 261 | S | 51.5 | Low | 55.4 | Low | 107 Ų | 107 | 133.2 Ų | 133.2 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 116.8 | 160 | 53.3 | 0 | 0 | 0 | 0 | 107.6 | S259 S263 | S259-S261 PolarHBondContact O-N 3.42Å; S259-S261 VanDerWaalsContact O-N 3.17Å; S261-S263 PolarHBondContact O-N 3.08Å |
| 262 | A | 56 | Low | 55.9 | Low | 93 Ų | 93 | 132.8 Ų | 132.8 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 122.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | C260 P264 | C260-A262 PolarHBondContact O-N 3.48Å; A262-P264 WeakPolarHBondContact O-CD 3.29Å |
| 263 | S | 55.1 | Low | 56.3 | Low | 82 Ų | 82 | 128 Ų | 128 | 57% | 0.573 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 121.1 | 178.8 | 179.5 | 0 | 0 | 0 | 0 | 109.8 | S261 Y265 | S261-S263 PolarHBondContact O-N 3.08Å; S263-Y265 PolarHBondContact O-N 3.16Å |
| 264 | P | 57.8 | Low | 57.1 | Low | 112 Ų | 112 | 131.8 Ų | 131.8 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -1.6 | -178 | -23 | 34.7 | 0 | 0 | 0 | 115.6 | A262 | A262-P264 WeakPolarHBondContact O-CD 3.29Š|
| 265 | Y | 55.8 | Low | 58.1 | Low | 187 Ų | 187 | 136 Ų | 136 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -0.1 | -173 | -72.3 | -82.7 | 0 | 0 | 0 | 114.4 | S263 K267 | S263-Y265 PolarHBondContact O-N 3.16Å; Y265-K267 PolarHBondContact O-N 2.83Å; Y265-K267 VanDerWaalsContact O-N 3.12Å |
| 266 | D | 53 | Low | 59 | Low | 137 Ų | 137 | 135.3 Ų | 135.3 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 6.6 | -173.4 | -155.3 | 25.4 | 0 | 0 | 0 | 114.5 | ||
| 267 | K | 60 | Low | 59.8 | Low | 190 Ų | 190 | 131.3 Ų | 131.3 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.1 | 12.3 | -175 | -65.4 | -170.7 | -177.6 | -176.7 | 0 | 116.4 | Y265 | Y265-K267 PolarHBondContact O-N 2.83Å; Y265-K267 VanDerWaalsContact O-N 3.12Å |
| 268 | L | 61.1 | Low | 60.8 | Low | 144 Ų | 144 | 130.4 Ų | 130.4 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | -132.6 | 51.8 | -178.9 | -63.9 | 174.8 | 0 | 0 | 0 | 112.2 | P270 | L268-P270 WeakPolarHBondContact O-CD 3.46Š| ||
| 269 | H | 63.8 | Low | 61.7 | Low | 164 Ų | 164 | 127.6 Ų | 127.6 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | -83.5 | 107 | 159.2 | -65.8 | -56 | 0 | 0 | 0 | 107.9 | A271 | H269-A271 PolarHBondContact O-N 3.09Š| ||
| 270 | P | 69.6 | Low | 62.8 | Low | 112 Ų | 112 | 133.8 Ų | 133.8 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 137.5 | 170.3 | 25.5 | -31.6 | 0 | 0 | 0 | 108 | L268 | L268-P270 WeakPolarHBondContact O-CD 3.46Š|
| 271 | A | 63 | Low | 64 | Low | 90 Ų | 90 | 135 Ų | 135 | 74% | 0.744 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 128.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | H269 S273 | H269-A271 PolarHBondContact O-N 3.09Å; A271-S273 PolarHBondContact O-N 2.96Å; A271-S273 VanDerWaalsContact O-N 3.14Å |
| 272 | P | 71.6 | Confident | 65.3 | Low | 114 Ų | 114 | 135.8 Ų | 135.8 | 74% | 0.74 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 124 | -177.5 | -21.6 | 30.5 | 0 | 0 | 0 | 109.5 | F274 | P272-F274 PolarHBondContact O-N 3.18Š|
| 273 | S | 67.9 | Low | 65.9 | Low | 134 Ų | 134 | 138.8 Ų | 138.8 | 94% | 0.937 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -69.4 | -4.1 | -175.1 | 62.9 | 0 | 0 | 0 | 0 | 113.9 | A271 | A271-S273 PolarHBondContact O-N 2.96Å; A271-S273 VanDerWaalsContact O-N 3.14Å |
| 274 | F | 73.8 | Confident | 66.7 | Low | 162 Ų | 162 | 142.3 Ų | 142.3 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | -131.1 | 106 | 178.5 | -177.3 | -105 | 0 | 0 | 0 | 109.8 | P272 N276 | P272-F274 PolarHBondContact O-N 3.18Å; F274-N276 HydrophobicContact CE1-CB 4.3Å | ||
| 275 | Y | 70.4 | Confident | 67.4 | Low | 209 Ų | 209 | 142.6 Ų | 142.6 | 82% | 0.82 | 74% | 0.736 | S | S | * | * | trans | -94.6 | 117.8 | 167.8 | -152.4 | -95.9 | 0 | 0 | 0 | 107 | P277 | Y275-P277 WeakPolarHBondContact O-CD 3.33Å; Y275-P277 VanDerWaalsContact O-N 3.08Å | ||
| 276 | N | 70.4 | Confident | 68.4 | Low | 85 Ų | 85 | 138.1 Ų | 138.1 | 46% | 0.455 | 73% | 0.73 | S | S | . | * | trans | -65 | 108.1 | 174.8 | -177.3 | 1.2 | 0 | 0 | 0 | 108 | F274 I278 | F274-N276 HydrophobicContact CE1-CB 4.3Å; N276-I278 PolarHBondContact O-N 3.43Å; N276-I278 VanDerWaalsContact O-N 3.11Å; N276-I278 PolarHBondContact OD1-N 3.47Å | ||
| 277 | P | 71.3 | Confident | 69.4 | Low | 103 Ų | 103 | 136.5 Ų | 136.5 | 67% | 0.669 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -75.5 | -2.4 | -168.9 | 32.3 | -35.1 | 0 | 0 | 0 | 112.7 | Y275 P279 | Y275-P277 WeakPolarHBondContact O-CD 3.33Å; Y275-P277 VanDerWaalsContact O-N 3.08Å; P277-P279 WeakPolarHBondContact O-CD 3.12Å |
| 278 | I | 65.7 | Low | 69.9 | Low | 104 Ų | 104 | 133 Ų | 133 | 53% | 0.533 | 72% | 0.723 | S | S | . | * | S | Bend | trans | -92.1 | 101 | 176 | -52.7 | 177 | 0 | 0 | 0 | 106.9 | N276 W280 | N276-I278 PolarHBondContact O-N 3.43Å; N276-I278 VanDerWaalsContact O-N 3.11Å; N276-I278 PolarHBondContact OD1-N 3.47Å; I278-W280 PolarHBondContact O-N 3.23Å |
| 279 | P | 69.6 | Low | 69.9 | Low | 101 Ų | 101 | 135.3 Ų | 135.3 | 66% | 0.656 | 73% | 0.731 | S | S | * | * | trans | -55.1 | 133.5 | 168.4 | 24.7 | -32.2 | 0 | 0 | 0 | 106.4 | P277 K281 | P277-P279 WeakPolarHBondContact O-CD 3.12Å; P279-K281 VanDerWaalsContact C-N 3.29Å; P279-K281 PolarHBondContact O-N 3.07Å | ||
| 280 | W | 68.4 | Low | 69.6 | Low | 240 Ų | 240 | 133.9 Ų | 133.9 | 91% | 0.909 | 73% | 0.734 | S | S | * | * | trans | -54.4 | 97.5 | -175 | -67.6 | 35.5 | 0 | 0 | 0 | 107.6 | I278 P282 | I278-W280 PolarHBondContact O-N 3.23Å; W280-P282 WeakPolarHBondContact O-CD 3.18Å | ||
| 281 | K | 69.2 | Low | 69.1 | Low | 166 Ų | 166 | 132 Ų | 132 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 128.2 | -179.4 | -69.9 | -173.1 | 179 | -178.8 | 0 | 105.1 | P279 I283 | P279-K281 VanDerWaalsContact C-N 3.29Å; P279-K281 PolarHBondContact O-N 3.07Å; K281-I283 PolarHBondContact O-N 2.83Å |
| 282 | P | 77.1 | Confident | 68.6 | Low | 123 Ų | 123 | 133.7 Ų | 133.7 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 123.8 | 170.8 | -25.2 | 33.5 | 0 | 0 | 0 | 107.9 | W280 H284 | W280-P282 WeakPolarHBondContact O-CD 3.18Å; P282-H284 PolarHBondContact O-N 3.07Å |
| 283 | I | 70.3 | Confident | 67.4 | Low | 155 Ų | 155 | 134.8 Ų | 134.8 | 80% | 0.795 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -56 | 121.4 | 177.3 | -60.2 | 171.8 | 0 | 0 | 0 | 105.8 | K281 V285 | K281-I283 PolarHBondContact O-N 2.83Å; I283-V285 VanDerWaalsContact C-N 3.32Å; I283-V285 PolarHBondContact O-N 2.86Å |
| 284 | H | 69.9 | Low | 66.6 | Low | 156 Ų | 156 | 137.8 Ų | 137.8 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | trans | -65.5 | 97.3 | 177.6 | -176.9 | -75.1 | 0 | 0 | 0 | 107.8 | P282 P286 | P282-H284 PolarHBondContact O-N 3.07Å; H284-P286 VanDerWaalsContact O-CD 3.25Å; H284-P286 WeakPolarHBondContact O-CD 3.13Å | ||
| 285 | V | 73.6 | Confident | 65.4 | Low | 118 Ų | 118 | 136 Ų | 136 | 72% | 0.715 | 72% | 0.724 | S | S | * | * | trans | -68.1 | 113.3 | 171.9 | -174.1 | 0 | 0 | 0 | 0 | 105.8 | I283 | I283-V285 VanDerWaalsContact C-N 3.32Å; I283-V285 PolarHBondContact O-N 2.86Å | ||
| 286 | P | 75.8 | Confident | 64.8 | Low | 94 Ų | 94 | 131.5 Ų | 131.5 | 61% | 0.61 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 137 | 174.3 | 24.6 | -31.4 | 0 | 0 | 0 | 108.1 | H284 | H284-P286 VanDerWaalsContact O-CD 3.25Å; H284-P286 WeakPolarHBondContact O-CD 3.13Å |
| 287 | P | 74.6 | Confident | 63.2 | Low | 102 Ų | 102 | 137 Ų | 137 | 66% | 0.662 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 135.5 | 173.9 | -24 | 32.4 | 0 | 0 | 0 | 109.3 | E289 | P287-E289 PolarHBondContact O-N 3.17Š|
| 288 | P | 71.5 | Confident | 62.3 | Low | 116 Ų | 116 | 143.7 Ų | 143.7 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 128 | 178.9 | 22.3 | -31.9 | 0 | 0 | 0 | 108.7 | T290 | P288-T290 PolarHBondContact O-N 2.68Š|
| 289 | E | 60.6 | Low | 61.3 | Low | 194 Ų | 194 | 148.1 Ų | 148.1 | 91% | 0.907 | 77% | 0.774 | S | S | * | * | trans | -52.1 | 107.9 | -178.6 | -70.6 | -173.4 | 163.8 | 0 | 0 | 109.4 | P287 S291 | P287-E289 PolarHBondContact O-N 3.17Å; E289-S291 VanDerWaalsContact C-N 3.32Å; E289-S291 PolarHBondContact O-N 3.25Å | ||
| 290 | T | 56.2 | Low | 60.3 | Low | 134 Ų | 134 | 149.5 Ų | 149.5 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -68.9 | 97.9 | 168 | 50.9 | 0 | 0 | 0 | 0 | 106.9 | P288 | P288-T290 PolarHBondContact O-N 2.68Š| ||
| 291 | S | 60.3 | Low | 59.9 | Low | 73 Ų | 73 | 146 Ų | 146 | 51% | 0.51 | 78% | 0.777 | S | S | . | * | trans | -46.9 | 137.8 | 162.2 | 58.4 | 0 | 0 | 0 | 0 | 109.4 | E289 N293 | E289-S291 VanDerWaalsContact C-N 3.32Å; E289-S291 PolarHBondContact O-N 3.25Å; S291-N293 PolarHBondContact O-N 3.36Å | ||
| 292 | P | 53.2 | Low | 58.5 | Low | 124 Ų | 124 | 148.9 Ų | 148.9 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | trans | -71.7 | 83.4 | 176.8 | 29.6 | -33.9 | 0 | 0 | 0 | 109.9 | K294 | P292-K294 VanDerWaalsContact C-N 3.35Å; P292-K294 PolarHBondContact O-N 3.22Å | ||
| 293 | N | 44.7 | Very low | 57.1 | Low | 137 Ų | 137 | 150.5 Ų | 150.5 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | trans | -72.8 | 95.7 | 163.4 | -75.9 | -34.5 | 0 | 0 | 0 | 107.6 | S291 T295 | S291-N293 PolarHBondContact O-N 3.36Å; N293-T295 PolarHBondContact O-N 3.03Å | ||
| 294 | K | 52.8 | Low | 56.1 | Low | 197 Ų | 197 | 152 Ų | 152 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | trans | -62.3 | 100.2 | 162.3 | -67.2 | 179.7 | 179.1 | 178.7 | 0 | 107.8 | P292 | P292-K294 VanDerWaalsContact C-N 3.35Å; P292-K294 PolarHBondContact O-N 3.22Å | ||
| 295 | T | 48.4 | Very low | 54.8 | Low | 124 Ų | 124 | 154.7 Ų | 154.7 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | trans | -158.7 | 130.3 | 144.6 | 17.9 | 0 | 0 | 0 | 0 | 111.7 | N293 | N293-T295 PolarHBondContact O-N 3.03Š| ||
| 296 | S | 56.2 | Low | 53.3 | Low | 115 Ų | 115 | 157.3 Ų | 157.3 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 58.2 | 94.7 | 158.2 | 67.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 297 | E | 38.7 | Very low | 51.8 | Low | 201 Ų | 201 | 162.4 Ų | 162.4 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | trans | -112 | 118.3 | 144.7 | -77.9 | -167.2 | 165 | 0 | 0 | 110.8 | ||||
| 298 | R | 51.2 | Low | 50.5 | Low | 244 Ų | 244 | 166 Ų | 166 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | trans | -72.7 | 132.4 | 168.9 | -152.7 | 177.5 | -173.6 | -175.1 | 1.4 | 107 | ||||
| 299 | K | 45.9 | Very low | 49 | Very low | 196 Ų | 196 | 167.8 Ų | 167.8 | 85% | 0.852 | 82% | 0.823 | S | S | * | * | trans | -42.7 | 156.4 | 178 | -69.6 | 175.8 | 174.5 | 175 | 0 | 114 | ||||
| 300 | P | 47.8 | Very low | 48.4 | Very low | 130 Ų | 130 | 164 Ų | 164 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | -123.3 | 152.1 | 117.8 | 35.1 | -27.6 | 0 | 0 | 0 | 114.5 | |||||
| 301 | Q | 59.5 | Low | 47.8 | Very low | 168 Ų | 168 | 163.6 Ų | 163.6 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -69.8 | 134.3 | -178.4 | 167.6 | -177.5 | -6.2 | 0 | 0 | 113.4 | ||||
| 302 | R | 39.5 | Very low | 47.1 | Very low | 226 Ų | 226 | 169.7 Ų | 169.7 | 85% | 0.853 | 83% | 0.832 | S | S | * | * | trans | 176 | 105.3 | 135.9 | -97.8 | 169.2 | -176.9 | -165.1 | 1.2 | 109.5 | ||||
| 303 | Q | 48.6 | Very low | 46.5 | Very low | 156 Ų | 156 | 169.2 Ų | 169.2 | 73% | 0.729 | 83% | 0.832 | S | S | * | * | 85.4 | 105.5 | 95.7 | -78 | -166 | 0.5 | 0 | 0 | 115.5 | |||||
| 304 | K | 48.5 | Very low | 46.4 | Very low | 188 Ų | 188 | 173.4 Ų | 173.4 | 82% | 0.817 | 84% | 0.839 | S | S | * | * | trans | 57.4 | 113.9 | 138.2 | -64.2 | -178.9 | 177.4 | 179.9 | 0 | 119.2 | ||||
| 305 | K | 43.9 | Very low | 45.8 | Very low | 211 Ų | 211 | 174.9 Ų | 174.9 | 92% | 0.917 | 84% | 0.839 | S | S | * | * | -175.2 | 112.9 | 104.6 | -93.7 | 173.7 | -171.7 | -174.9 | 0 | 108.6 | |||||
| 306 | I | 40.7 | Very low | 45.4 | Very low | 174 Ų | 174 | 177.9 Ų | 177.9 | 89% | 0.892 | 84% | 0.844 | S | S | * | * | trans | -119.5 | 124.2 | 169.3 | -71.1 | 174.4 | 0 | 0 | 0 | 107.9 | ||||
| 307 | K | 45.1 | Very low | 44.5 | Very low | 201 Ų | 201 | 183 Ų | 183 | 87% | 0.874 | 85% | 0.846 | S | S | * | * | trans | -70.4 | 150.1 | 170.4 | -71.1 | -173.3 | 174.3 | -173.7 | 0 | 110.1 | ||||
| 308 | Q | 48.2 | Very low | 44.8 | Very low | 177 Ų | 177 | 180.9 Ų | 180.9 | 83% | 0.827 | 84% | 0.841 | S | S | * | * | trans | -54.9 | 145.8 | -176.8 | -61.6 | 177.2 | -27.9 | 0 | 0 | 114.6 | ||||
| 309 | N | 39.2 | Very low | 44.5 | Very low | 154 Ų | 154 | 175.7 Ų | 175.7 | 82% | 0.824 | 84% | 0.837 | S | S | * | * | 175 | 159.1 | 128.9 | -89.2 | -15.5 | 0 | 0 | 0 | 111.4 | |||||
| 310 | P | 47.9 | Very low | 44.5 | Very low | 115 Ų | 115 | 170.9 Ų | 170.9 | 75% | 0.747 | 83% | 0.833 | S | S | * | * | -103.9 | 166.1 | -108.5 | 38.8 | -30.5 | 0 | 0 | 0 | 114.4 | |||||
| 311 | P | 42.8 | Very low | 44.2 | Very low | 125 Ų | 125 | 170.1 Ų | 170.1 | 81% | 0.812 | 83% | 0.831 | S | S | * | * | trans | -89.1 | 137.3 | 176.8 | 34 | -29.1 | 0 | 0 | 0 | 112.6 | S313 | P311-S313 PolarHBondContact O-N 3.11Š| ||
| 312 | F | 45.3 | Very low | 43.3 | Very low | 200 Ų | 200 | 168.4 Ų | 168.4 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | trans | -43.7 | 127.1 | 159 | -101.1 | -106.2 | 0 | 0 | 0 | 111.8 | Y314 | F312-Y314 PolarHBondContact O-N 3.45Š| ||
| 313 | S | 41.2 | Very low | 43.8 | Very low | 115 Ų | 115 | 164 Ų | 164 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -77.7 | 105.9 | 170.7 | 44.9 | 0 | 0 | 0 | 0 | 110.5 | P311 R315 | P311-S313 PolarHBondContact O-N 3.11Å; S313-R315 PolarHBondContact O-N 3.12Å | ||
| 314 | Y | 43.3 | Very low | 43.6 | Very low | 225 Ų | 225 | 167.1 Ų | 167.1 | 88% | 0.882 | 84% | 0.836 | S | S | * | * | trans | -80 | 113.8 | 159.4 | -113.9 | -93.4 | 0 | 0 | 0 | 108.5 | F312 Q316 | F312-Y314 PolarHBondContact O-N 3.45Å; Y314-Q316 PolarHBondContact O-N 3.41Å | ||
| 315 | R | 40.1 | Very low | 43.3 | Very low | 228 Ų | 228 | 168.5 Ų | 168.5 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | trans | -73.9 | 99.5 | 178.5 | -157.2 | 179.9 | -162.1 | -126.7 | 5.2 | 108.9 | S313 R317 | S313-R315 PolarHBondContact O-N 3.12Å; R315-R317 PolarHBondContact O-N 3.14Å | ||
| 316 | Q | 39.2 | Very low | 43.8 | Very low | 186 Ų | 186 | 166.4 Ų | 166.4 | 87% | 0.869 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 119.6 | 164.2 | -95.4 | -177.6 | -17.6 | 0 | 0 | 108.7 | Y314 | Y314-Q316 PolarHBondContact O-N 3.41Š|
| 317 | R | 38.9 | Very low | 44.2 | Very low | 224 Ų | 224 | 166.2 Ų | 166.2 | 85% | 0.845 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 117.9 | 174.2 | -162.6 | 180 | -85 | 158.1 | -8.7 | 107.1 | R315 T319 | R315-R317 PolarHBondContact O-N 3.14Å; R317-T319 PolarHBondContact O-N 3.05Å |
| 318 | N | 44.1 | Very low | 44.1 | Very low | 155 Ų | 155 | 168 Ų | 168 | 83% | 0.829 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 126.2 | 175.7 | -65.3 | -35.4 | 0 | 0 | 0 | 110.4 | ||
| 319 | T | 44.7 | Very low | 44.2 | Very low | 136 Ų | 136 | 175 Ų | 175 | 83% | 0.834 | 86% | 0.861 | S | S | * | * | trans | -121.2 | 105.3 | 154 | 52.2 | 0 | 0 | 0 | 0 | 107.3 | R317 | R317-T319 PolarHBondContact O-N 3.05Š| ||
| 320 | A | 45.7 | Very low | 44.4 | Very low | 94 Ų | 94 | 176.1 Ų | 176.1 | 78% | 0.777 | 86% | 0.863 | S | S | * | * | trans | -67.7 | 135.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 321 | S | 41 | Very low | 44.2 | Very low | 115 Ų | 115 | 179.3 Ų | 179.3 | 80% | 0.804 | 87% | 0.869 | S | S | * | * | trans | 153.9 | 100.7 | 139.5 | -69.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 322 | T | 41.6 | Very low | 44.3 | Very low | 131 Ų | 131 | 182.3 Ų | 182.3 | 80% | 0.804 | 87% | 0.872 | S | S | * | * | trans | -123.4 | 102.5 | 157.9 | -66.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 323 | T | 49.4 | Very low | 44.2 | Very low | 135 Ų | 135 | 181.2 Ų | 181.2 | 83% | 0.828 | 87% | 0.872 | S | S | * | * | trans | -52.5 | 120 | 157.1 | 23.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 324 | R | 44.4 | Very low | 44.4 | Very low | 220 Ų | 220 | 185.4 Ų | 185.4 | 83% | 0.83 | 88% | 0.876 | S | S | * | * | trans | -158 | 100.2 | 148.9 | -75.3 | -154.4 | 180 | 172.1 | 1.1 | 110.8 | ||||
| 325 | F | 42.4 | Very low | 44.5 | Very low | 217 Ų | 217 | 182.7 Ų | 182.7 | 95% | 0.952 | 88% | 0.876 | S | S | * | * | trans | -150 | 91.7 | 141.6 | -90.9 | -72.3 | 0 | 0 | 0 | 108.8 | ||||
| 326 | L | 53.7 | Low | 44.8 | Very low | 168 Ų | 168 | 179.5 Ų | 179.5 | 88% | 0.88 | 88% | 0.877 | S | S | * | * | trans | -111 | 111.4 | 149.9 | -83.8 | 167.3 | 0 | 0 | 0 | 104.8 | ||||
| 327 | N | 49.3 | Very low | 45.3 | Very low | 169 Ų | 169 | 179 Ų | 179 | 90% | 0.904 | 88% | 0.878 | S | S | * | * | trans | -147.2 | 117.6 | 145 | -105 | -24.2 | 0 | 0 | 0 | 109.6 | ||||
| 328 | R | 43.6 | Very low | 45.8 | Very low | 239 Ų | 239 | 175.3 Ų | 175.3 | 90% | 0.902 | 88% | 0.88 | S | S | * | * | trans | -89.7 | 120.5 | 174.9 | -173.9 | -173.8 | -164.6 | -159 | 4.9 | 106 | ||||
| 329 | R | 49.7 | Very low | 46 | Very low | 324 Ų | 324 | 177.1 Ų | 177.1 | 100% | 1.223 | 89% | 0.885 | S | S | * | * | trans | -159.6 | 0 | 147.8 | -112.3 | 179.9 | -169 | -174 | 2.9 | 109.5 |
Retrieved 329 of 329 residues in 293.6 ms
(Link to these results)