| 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 | 40.8 | Very low | 38.4 | Very low | 241 Ų | 241 | 155.3 Ų | 155.3 | 100% | 1.187 | 88% | 0.881 | S | S | * | * | 0 | 131.8 | 0 | -68.4 | 178.2 | -93.1 | 0 | 0 | 108.7 | |||||
| 2 | K | 30.8 | Very low | 38 | Very low | 209 Ų | 209 | 154.9 Ų | 154.9 | 91% | 0.909 | 88% | 0.875 | S | S | * | * | trans | -145.5 | 126.4 | 172.1 | -74.1 | -175.7 | 177.2 | 179.9 | 0 | 106.9 | ||||
| 3 | C | 36.1 | Very low | 37.6 | Very low | 128 Ų | 128 | 154.4 Ų | 154.4 | 87% | 0.865 | 88% | 0.878 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 125.7 | -177.5 | -60.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 4 | P | 49.6 | Very low | 37.4 | Very low | 120 Ų | 120 | 155.5 Ų | 155.5 | 78% | 0.779 | 88% | 0.875 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 143.2 | 173.7 | -6.7 | 24.8 | 0 | 0 | 0 | 112.3 | ||
| 5 | T | 37.3 | Very low | 37.1 | Very low | 137 Ų | 137 | 154.3 Ų | 154.3 | 84% | 0.84 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 138.7 | 166.2 | -48.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 6 | I | 46.1 | Very low | 36.8 | Very low | 159 Ų | 159 | 154.9 Ų | 154.9 | 82% | 0.815 | 85% | 0.85 | S | S | * | * | trans | -122.5 | 146.9 | 168.7 | -60.5 | -177.6 | 0 | 0 | 0 | 109.2 | ||||
| 7 | K | 34.7 | Very low | 36.7 | Very low | 196 Ų | 196 | 152.5 Ų | 152.5 | 85% | 0.852 | 85% | 0.847 | S | S | * | * | trans | -98.7 | 152.5 | -166.4 | -59.3 | 172.5 | -179 | 175.4 | 0 | 112.4 | ||||
| 8 | S | 39.3 | Very low | 37.9 | Very low | 128 Ų | 128 | 150.2 Ų | 150.2 | 90% | 0.895 | 84% | 0.84 | S | S | * | * | trans | -76.8 | 146.6 | 167.3 | -47.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 9 | A | 35 | Very low | 37.5 | Very low | 103 Ų | 103 | 151.5 Ų | 151.5 | 85% | 0.851 | 84% | 0.844 | S | S | * | * | trans | -146.4 | 154.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 10 | K | 41.5 | Very low | 37.4 | Very low | 211 Ų | 211 | 147.8 Ų | 147.8 | 92% | 0.917 | 83% | 0.834 | S | S | * | * | trans | -96.3 | 157.5 | 178.6 | -67.8 | -179.4 | 177 | 179.8 | 0 | 111.5 | ||||
| 11 | G | 30.9 | Very low | 37 | Very low | 76 Ų | 76 | 149.7 Ų | 149.7 | 78% | 0.784 | 84% | 0.836 | S | S | * | * | trans | -158.2 | 132.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 12 | N | 33.5 | Very low | 36.8 | Very low | 151 Ų | 151 | 143 Ų | 143 | 81% | 0.807 | 82% | 0.819 | S | S | * | * | trans | -110.2 | 146.6 | 179.9 | -64.2 | -1 | 0 | 0 | 0 | 110.3 | ||||
| 13 | T | 33.5 | Very low | 36.9 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 91% | 0.908 | 82% | 0.815 | S | S | * | * | trans | -154.8 | 150.7 | 147.5 | 5.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 14 | M | 34.6 | Very low | 36.8 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 84% | 0.837 | 81% | 0.811 | S | S | * | * | trans | -91.7 | -177.1 | 169.5 | -55.5 | 155.8 | 72.4 | 0 | 0 | 108.2 | ||||
| 15 | E | 32.4 | Very low | 36.1 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 64% | 0.64 | 81% | 0.81 | S | S | * | * | cis | -163.5 | 177.5 | 12.6 | -147.6 | -152.1 | 152.1 | 0 | 0 | 110.7 | ||||
| 16 | K | 32 | Very low | 36 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 72% | 0.717 | 81% | 0.805 | S | S | * | * | trans | 77 | 154.6 | 155.5 | -85.5 | 174.9 | 177.6 | 63.2 | 0 | 122.5 | ||||
| 17 | S | 35.3 | Very low | 35.5 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -142.2 | -158.7 | -174.3 | -54.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 18 | P | 58.8 | Low | 35.5 | Very low | 112 Ų | 112 | 131 Ų | 131 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | -122.4 | 179.5 | -81.6 | 39 | -23.3 | 0 | 0 | 0 | 113.1 | |||||
| 19 | L | 30.5 | Very low | 35.3 | Very low | 174 Ų | 174 | 130.8 Ų | 130.8 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | 173.2 | 161.1 | 156.7 | -113.4 | 86.6 | 0 | 0 | 0 | 107 | ||||
| 20 | A | 34.8 | Very low | 35 | Very low | 77 Ų | 77 | 134.2 Ų | 134.2 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | cis | -164.3 | -173.4 | -14.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 21 | E | 29.3 | Very low | 34.5 | Very low | 188 Ų | 188 | 134.7 Ų | 134.7 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | 73.3 | 123.9 | 169.5 | -52.9 | -169 | 116.7 | 0 | 0 | 116.5 | ||||
| 22 | A | 35.9 | Very low | 34.5 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | cis | 101.1 | 142.1 | 27.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 23 | A | 33.2 | Very low | 34.3 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | cis | -138.6 | -153.4 | -1.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 24 | A | 34 | Very low | 34.1 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | cis | -161.1 | -178.3 | 5.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 25 | A | 35.6 | Very low | 34.3 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | 62.6 | 112.4 | 168 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 26 | E | 34.2 | Very low | 34.8 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 73% | 0.729 | 77% | 0.772 | S | S | * | * | 68.2 | 136.6 | 55.4 | -66.2 | -137.7 | -158.4 | 0 | 0 | 114.3 | K28 | E26-K28 IonicContact OE1-NZ 3.05Å; E26-K28 IonicContact OE2-NZ 2.76Å; E26-K28 PolarHBondContact OE2-NZ 2.98Å | |||
| 27 | S | 36 | Very low | 34.8 | Very low | 83 Ų | 83 | 133.9 Ų | 133.9 | 58% | 0.58 | 78% | 0.779 | S | S | * | * | cis | -167.3 | 171.7 | 4.7 | -116.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 28 | K | 36 | Very low | 34.5 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | cis | -152.6 | -160.8 | -1.6 | -130.4 | 147.7 | -166.2 | 130.8 | 0 | 109.1 | E26 | E26-K28 IonicContact OE1-NZ 3.05Å; E26-K28 IonicContact OE2-NZ 2.76Å; E26-K28 PolarHBondContact OE2-NZ 2.98Å | ||
| 29 | V | 33.4 | Very low | 33.3 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -132.6 | 152.9 | -175.1 | 172.6 | 0 | 0 | 0 | 0 | 112.4 | Y31 | V29-Y31 HydrophobicContact CG1-CD2 4.45Š| ||
| 30 | L | 30.5 | Very low | 33.7 | Very low | 175 Ų | 175 | 138 Ų | 138 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | trans | -149.1 | 148.9 | 155.4 | -110 | 171.8 | 0 | 0 | 0 | 112.2 | ||||
| 31 | Y | 30.4 | Very low | 33.7 | Very low | 220 Ų | 220 | 138.3 Ų | 138.3 | 86% | 0.863 | 78% | 0.781 | S | S | * | * | trans | -148.3 | 128.6 | -172.3 | -120.9 | -75.8 | 0 | 0 | 0 | 111.3 | V29 | V29-Y31 HydrophobicContact CG1-CD2 4.45Š| ||
| 32 | A | 30.1 | Very low | 34.5 | Very low | 89 Ų | 89 | 135 Ų | 135 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | -168.7 | 123.3 | 165 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 33 | K | 30.7 | Very low | 34.2 | Very low | 185 Ų | 185 | 137.1 Ų | 137.1 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | 64.5 | 135.8 | 88.5 | -80.5 | -165.4 | 167.5 | -154.5 | 0 | 114 | |||||
| 34 | D | 28.8 | Very low | 34.1 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | cis | -144.2 | -178.6 | 18 | -92.2 | -49.2 | 0 | 0 | 0 | 114 | ||||
| 35 | S | 38.2 | Very low | 33.8 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -124.5 | 175.2 | 164.3 | -80.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 36 | P | 44.3 | Very low | 33.6 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | cis | -139.2 | -170.2 | 13.5 | 44.5 | -27.3 | 0 | 0 | 0 | 115.1 | ||||
| 37 | K | 30.5 | Very low | 33.3 | Very low | 199 Ų | 199 | 144.5 Ų | 144.5 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | -174.4 | 133.3 | 131.8 | -102.3 | 150 | -170.4 | 170 | 0 | 116.3 | ||||
| 38 | K | 29.9 | Very low | 33.1 | Very low | 205 Ų | 205 | 149.1 Ų | 149.1 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | 61 | 119.4 | 144.6 | -100.7 | -171.8 | 173.5 | -173.1 | 0 | 123 | ||||
| 39 | E | 33.1 | Very low | 33.5 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -57.5 | 165.4 | 139.1 | -112.4 | -167.5 | 119.5 | 0 | 0 | 112.3 | ||||
| 40 | P | 38.5 | Very low | 33.4 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | cis | -147.5 | 176 | 49.2 | 43.1 | -23.5 | 0 | 0 | 0 | 118.8 | ||||
| 41 | A | 35.3 | Very low | 33.4 | Very low | 82 Ų | 82 | 141 Ų | 141 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | -116.1 | 177.3 | 153.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 42 | P | 45.6 | Very low | 33.5 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | cis | -129.9 | -164.4 | 1.2 | 43.7 | -27 | 0 | 0 | 0 | 113.1 | ||||
| 43 | V | 29.4 | Very low | 33.5 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 87% | 0.873 | 76% | 0.763 | S | S | * | * | trans | -179.5 | 166.7 | 138 | 142.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 44 | I | 32 | Very low | 33.6 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -111.9 | 147.3 | -165.4 | -61.3 | 155 | 0 | 0 | 0 | 112.4 | ||||
| 45 | S | 28.3 | Very low | 33.6 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | trans | -160.6 | 131.1 | 143.8 | -79.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 46 | Q | 29.7 | Very low | 33.1 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | 50.1 | 121.3 | 75.2 | -66.8 | -173.9 | -20.2 | 0 | 0 | 111.7 | |||||
| 47 | D | 28 | Very low | 32.4 | Very low | 161 Ų | 161 | 143 Ų | 143 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | -152.3 | -177.3 | 54.2 | -142 | -22.7 | 0 | 0 | 0 | 115.8 | |||||
| 48 | R | 31.6 | Very low | 32.2 | Very low | 181 Ų | 181 | 138.9 Ų | 138.9 | 68% | 0.683 | 76% | 0.763 | S | S | * | * | trans | -144.4 | 150.9 | 175.4 | -171.5 | -166.4 | 179.1 | -176.7 | 3.9 | 110.7 | G51 | R48-G51 PolarHBondContact NH2-O 2.93Š| ||
| 49 | P | 44.5 | Very low | 32.2 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | -140.3 | 155.1 | 129.7 | 26.1 | -7.5 | 0 | 0 | 0 | 116 | |||||
| 50 | V | 32.3 | Very low | 32.1 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | 48.5 | 107 | 153.3 | -178.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 51 | G | 29.6 | Very low | 31.7 | Very low | 43 Ų | 43 | 137.2 Ų | 137.2 | 44% | 0.443 | 77% | 0.766 | S | S | . | * | cis | -164.1 | -133.9 | 10.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R48 | R48-G51 PolarHBondContact NH2-O 2.93Š| ||
| 52 | Q | 32.8 | Very low | 31.4 | Very low | 174 Ų | 174 | 138.7 Ų | 138.7 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | cis | -151.5 | -123 | -0.5 | -155.1 | -135.7 | 55.2 | 0 | 0 | 111.9 | ||||
| 53 | T | 31.8 | Very low | 30.9 | Very low | 100 Ų | 100 | 140.6 Ų | 140.6 | 61% | 0.613 | 77% | 0.774 | S | S | * | * | trans | -126.3 | 155.8 | -166.8 | -1.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 54 | T | 31.6 | Very low | 31 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | cis | -140.5 | 130.5 | 29.7 | 13.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 55 | V | 29.1 | Very low | 30.8 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 56% | 0.558 | 77% | 0.769 | S | S | * | * | trans | 47.8 | 115 | 136.7 | -176.3 | 0 | 0 | 0 | 0 | 120.6 | F57 | V55-F57 HydrophobicContact CG1-CD2 3.44Å; V55-F57 VanDerWaalsContact CG1-CD2 3.44Å; V55-F57 HydrophobicContact CG1-CE2 3.61Å; V55-F57 HydrophobicContact CG1-CG 4.45Å | ||
| 56 | F | 27.1 | Very low | 30.9 | Very low | 215 Ų | 215 | 138.3 Ų | 138.3 | 94% | 0.943 | 78% | 0.777 | S | S | * | * | trans | -120.3 | 137.1 | 137.3 | -102.4 | -93.7 | 0 | 0 | 0 | 107.9 | ||||
| 57 | F | 29.5 | Very low | 31.2 | Very low | 186 Ų | 186 | 137.8 Ų | 137.8 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | trans | -99.8 | 140.4 | 171.8 | -86.9 | -77.8 | 0 | 0 | 0 | 111.3 | V55 | V55-F57 HydrophobicContact CG1-CD2 3.44Å; V55-F57 VanDerWaalsContact CG1-CD2 3.44Å; V55-F57 HydrophobicContact CG1-CE2 3.61Å; V55-F57 HydrophobicContact CG1-CG 4.45Å | ||
| 58 | S | 27.3 | Very low | 31.6 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -134.1 | 133.7 | 172.2 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 59 | T | 29.6 | Very low | 31.9 | Very low | 136 Ų | 136 | 138 Ų | 138 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -128.4 | 113.5 | 176.7 | 41.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 60 | K | 30.4 | Very low | 31.3 | Very low | 202 Ų | 202 | 141.3 Ų | 141.3 | 88% | 0.878 | 79% | 0.785 | S | S | * | * | trans | -112.1 | 135.9 | 154.9 | -81.7 | -172.3 | 174.1 | -177 | 0 | 107.8 | ||||
| 61 | S | 29.6 | Very low | 31.4 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -127.9 | 141.6 | 161.3 | -174.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 62 | S | 30.7 | Very low | 31.5 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -126.5 | 128.7 | -176.6 | -60 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 63 | I | 33.5 | Very low | 31.4 | Very low | 161 Ų | 161 | 142 Ų | 142 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -127.8 | 154.9 | 173.3 | -66.3 | -175.9 | 0 | 0 | 0 | 109.5 | ||||
| 64 | S | 32 | Very low | 31.5 | Very low | 114 Ų | 114 | 141 Ų | 141 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -55.2 | 156.1 | -158.3 | 48.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 65 | A | 28.4 | Very low | 31.6 | Very low | 92 Ų | 92 | 146.2 Ų | 146.2 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | -75.9 | 166.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 66 | V | 30.7 | Very low | 32.1 | Very low | 148 Ų | 148 | 151 Ų | 151 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | trans | -140.1 | 153 | 144.6 | 177.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 67 | H | 34.8 | Very low | 32.5 | Very low | 166 Ų | 166 | 149.3 Ų | 149.3 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -64.1 | 147.7 | 179.7 | -93.6 | -121.5 | 0 | 0 | 0 | 115.4 | ||||
| 68 | N | 37.6 | Very low | 32.9 | Very low | 168 Ų | 168 | 148.8 Ų | 148.8 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | -159 | 170.8 | 107.3 | -114.2 | -30.6 | 0 | 0 | 0 | 113.8 | |||||
| 69 | K | 37.1 | Very low | 33.3 | Very low | 179 Ų | 179 | 146.8 Ų | 146.8 | 78% | 0.778 | 82% | 0.816 | S | S | * | * | trans | -137.6 | 129.3 | -160.1 | 166.2 | -167.1 | 171.7 | -172.3 | 0 | 111.8 | ||||
| 70 | E | 32.9 | Very low | 33.8 | Very low | 187 Ų | 187 | 145.5 Ų | 145.5 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | 165.6 | 159.7 | 153.8 | -97.1 | 160.1 | -153 | 0 | 0 | 109.1 | ||||
| 71 | N | 33.4 | Very low | 33.9 | Very low | 130 Ų | 130 | 144 Ų | 144 | 70% | 0.695 | 82% | 0.821 | S | S | * | * | cis | -166.6 | 132.5 | -38.9 | 173.8 | 30.2 | 0 | 0 | 0 | 108.6 | ||||
| 72 | N | 31.4 | Very low | 33.9 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | trans | 58.6 | 166.8 | 170 | -93.2 | -22 | 0 | 0 | 0 | 117 | ||||
| 73 | S | 31.7 | Very low | 34.2 | Very low | 98 Ų | 98 | 149.5 Ų | 149.5 | 69% | 0.685 | 82% | 0.821 | S | S | * | * | cis | -148.6 | 143.9 | -21.8 | 39.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 74 | G | 34 | Very low | 34.1 | Very low | 79 Ų | 79 | 149.3 Ų | 149.3 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | -77.6 | 131.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 75 | R | 33.6 | Very low | 34.2 | Very low | 235 Ų | 235 | 152.2 Ų | 152.2 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | -141.4 | 124.1 | 155.8 | -82.4 | -165.5 | 168 | 177.5 | -3.9 | 110.2 | ||||
| 76 | E | 38.7 | Very low | 34.7 | Very low | 193 Ų | 193 | 155.8 Ų | 155.8 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -73.3 | 141.2 | 164.4 | -60.4 | 162.4 | 133.9 | 0 | 0 | 108.8 | ||||
| 77 | Q | 36 | Very low | 34.6 | Very low | 178 Ų | 178 | 156.4 Ų | 156.4 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -144.5 | 122.2 | 156.7 | -72.5 | -162.6 | -25.8 | 0 | 0 | 108.8 | ||||
| 78 | D | 38 | Very low | 35 | Very low | 175 Ų | 175 | 153.3 Ų | 153.3 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | trans | -63.3 | 146.7 | 164.2 | -75 | -63.4 | 0 | 0 | 0 | 110.5 | ||||
| 79 | G | 34.6 | Very low | 35.3 | Very low | 71 Ų | 71 | 148.9 Ų | 148.9 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | -152.8 | 101.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110 | L81 | G79-L81 PolarHBondContact O-N 2.94Š| ||
| 80 | A | 39.9 | Very low | 35.1 | Very low | 109 Ų | 109 | 150.8 Ų | 150.8 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | -62.3 | 128.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 81 | L | 32.6 | Very low | 35.1 | Very low | 172 Ų | 172 | 150.1 Ų | 150.1 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | trans | -98 | 98.6 | 173.6 | -166.8 | 81.4 | 0 | 0 | 0 | 108.7 | G79 | G79-L81 PolarHBondContact O-N 2.94Š| ||
| 82 | E | 30.1 | Very low | 35.4 | Very low | 184 Ų | 184 | 149.7 Ų | 149.7 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -69.9 | 130.5 | 172.5 | -166.1 | 165.6 | -168.1 | 0 | 0 | 109.7 | ||||
| 83 | E | 37.6 | Very low | 35.6 | Very low | 157 Ų | 157 | 150.1 Ų | 150.1 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -93.1 | 118.3 | -167.8 | -173.8 | 170.3 | -144 | 0 | 0 | 110.9 | F85 | E83-F85 HydrophobicContact CG-CD2 4.16Å; E83-F85 HydrophobicContact CG-CE2 3.77Å | ||
| 84 | Y | 31.7 | Very low | 35.6 | Very low | 156 Ų | 156 | 152.8 Ų | 152.8 | 61% | 0.612 | 82% | 0.816 | S | S | * | * | trans | -126.9 | 117.3 | -176.9 | -141.8 | -101.8 | 0 | 0 | 0 | 111.4 | E86 F327 | Y84-E86 HydrophobicContact CD1-CG 4.25Å; Y84-F327 WeakPolarHBondContact OH-CE1 3.46Å; Y84-F327 WeakPolarHBondContact OH-CZ 3.49Å | ||
| 85 | F | 33.2 | Very low | 35.4 | Very low | 175 Ų | 175 | 157.2 Ų | 157.2 | 77% | 0.768 | 82% | 0.82 | S | S | * | * | trans | -100.5 | 119.5 | 176.3 | -79.6 | -94.3 | 0 | 0 | 0 | 110.3 | E83 | E83-F85 HydrophobicContact CG-CD2 4.16Å; E83-F85 HydrophobicContact CG-CE2 3.77Å | ||
| 86 | E | 39.6 | Very low | 35.5 | Very low | 167 Ų | 167 | 151.3 Ų | 151.3 | 78% | 0.78 | 82% | 0.816 | S | S | * | * | trans | -102.5 | 100.9 | 168.8 | -67.6 | -172.7 | 151.4 | 0 | 0 | 109.8 | Y84 S88 | Y84-E86 HydrophobicContact CD1-CG 4.25Å; E86-S88 PolarHBondContact O-N 3.31Å | ||
| 87 | D | 29.2 | Very low | 35.3 | Very low | 162 Ų | 162 | 149.5 Ų | 149.5 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | -72.9 | 121.3 | 177 | -176.7 | 20.9 | 0 | 0 | 0 | 111.1 | G89 | D87-G89 PolarHBondContact O-N 2.82Š| ||
| 88 | S | 42.4 | Very low | 35.3 | Very low | 101 Ų | 101 | 148 Ų | 148 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | -96.1 | 90.4 | -172.2 | -71.2 | 0 | 0 | 0 | 0 | 111.7 | E86 Y90 | E86-S88 PolarHBondContact O-N 3.31Å; S88-Y90 PolarHBondContact O-N 3.22Å | ||
| 89 | G | 44.7 | Very low | 35.1 | Very low | 74 Ų | 74 | 145.6 Ų | 145.6 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | -61.9 | 120.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | D87 | D87-G89 PolarHBondContact O-N 2.82Š| ||
| 90 | Y | 32.5 | Very low | 35.1 | Very low | 219 Ų | 219 | 150.9 Ų | 150.9 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | trans | -143.6 | 80.3 | 179 | -118.4 | -81.1 | 0 | 0 | 0 | 112.8 | S88 | S88-Y90 PolarHBondContact O-N 3.22Š| ||
| 91 | L | 32.3 | Very low | 35 | Very low | 173 Ų | 173 | 154.6 Ų | 154.6 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | -149.7 | 98 | 165.8 | -77.4 | -176.3 | 0 | 0 | 0 | 111.1 | ||||
| 92 | S | 39.6 | Very low | 34.9 | Very low | 122 Ų | 122 | 150 Ų | 150 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -162.1 | 62.9 | 166.5 | -82 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 93 | L | 34.9 | Very low | 35 | Very low | 152 Ų | 152 | 149.2 Ų | 149.2 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -141.3 | 146.2 | 154.1 | -62.4 | 174.8 | 0 | 0 | 0 | 105.3 | ||||
| 94 | Q | 32.3 | Very low | 35.1 | Very low | 155 Ų | 155 | 151.2 Ų | 151.2 | 72% | 0.724 | 80% | 0.799 | S | S | * | * | cis | -128 | 161.8 | -0 | -75.7 | 82 | -2.2 | 0 | 0 | 110.2 | ||||
| 95 | N | 30.1 | Very low | 35.4 | Very low | 171 Ų | 171 | 153.1 Ų | 153.1 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | trans | -169.5 | 92.1 | 141.6 | -104.3 | -14.1 | 0 | 0 | 0 | 110.3 | ||||
| 96 | S | 35.9 | Very low | 35.3 | Very low | 112 Ų | 112 | 154.6 Ų | 154.6 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | trans | -86.1 | 103.2 | 165.5 | 52 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 97 | H | 33.6 | Very low | 35 | Very low | 155 Ų | 155 | 153 Ų | 153 | 72% | 0.718 | 82% | 0.819 | S | S | * | * | trans | -66.7 | 143.4 | 170.6 | -167.1 | -104.8 | 0 | 0 | 0 | 109.7 | D99 | H97-D99 IonicContact CE1-OD1 3.22Å; H97-D99 IonicContact CG-OD1 3.8Å; H97-D99 IonicContact ND1-OD1 2.69Å; H97-D99 PolarHBondContact ND1-OD1 3.36Å | ||
| 98 | I | 35.9 | Very low | 35.2 | Very low | 147 Ų | 147 | 152.1 Ų | 152.1 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | trans | -100.4 | 111 | 170.6 | -63.2 | 174.3 | 0 | 0 | 0 | 105.9 | ||||
| 99 | D | 35.4 | Very low | 34.7 | Very low | 124 Ų | 124 | 155.1 Ų | 155.1 | 66% | 0.663 | 82% | 0.816 | S | S | * | * | trans | -75.8 | 142.3 | 176.8 | -62.6 | -33 | 0 | 0 | 0 | 110.4 | H97 | H97-D99 IonicContact CE1-OD1 3.22Å; H97-D99 IonicContact CG-OD1 3.8Å; H97-D99 IonicContact ND1-OD1 2.69Å; H97-D99 PolarHBondContact ND1-OD1 3.36Å | ||
| 100 | H | 33.7 | Very low | 33.9 | Very low | 182 Ų | 182 | 155.6 Ų | 155.6 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | -134.4 | 114.1 | -171.6 | -156.6 | 56.3 | 0 | 0 | 0 | 108.2 | ||||
| 101 | H | 37.4 | Very low | 33.7 | Very low | 187 Ų | 187 | 153.8 Ų | 153.8 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | -150.1 | 142.4 | -173.9 | -86.4 | -67.3 | 0 | 0 | 0 | 110.7 | ||||
| 102 | G | 31.5 | Very low | 33.4 | Very low | 75 Ų | 75 | 149.9 Ų | 149.9 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | 100.7 | 84.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 103 | D | 32 | Very low | 33.2 | Very low | 168 Ų | 168 | 151.3 Ų | 151.3 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | -85.3 | 123.7 | 153.5 | -57.2 | -69.3 | 0 | 0 | 0 | 107.9 | ||||
| 104 | E | 39.7 | Very low | 33 | Very low | 199 Ų | 199 | 152.6 Ų | 152.6 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | -138.3 | 135 | 160.5 | -70.6 | -168.9 | 153.1 | 0 | 0 | 108.4 | ||||
| 105 | E | 36.6 | Very low | 32.6 | Very low | 196 Ų | 196 | 148.2 Ų | 148.2 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | trans | -99.4 | 133.8 | 179.8 | -60 | -179.8 | 132.7 | 0 | 0 | 110.2 | ||||
| 106 | E | 32.8 | Very low | 32.6 | Very low | 205 Ų | 205 | 150.3 Ų | 150.3 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | trans | -159.8 | 175.2 | 137.5 | -123.4 | 178.6 | 175.7 | 0 | 0 | 111.4 | ||||
| 107 | D | 33.1 | Very low | 32.1 | Very low | 133 Ų | 133 | 155.9 Ų | 155.9 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -119 | 176.9 | -143.6 | -153.2 | -29.7 | 0 | 0 | 0 | 113.7 | ||||
| 108 | H | 33.1 | Very low | 32 | Very low | 144 Ų | 144 | 155.5 Ų | 155.5 | 67% | 0.667 | 80% | 0.795 | S | S | * | * | trans | 99.2 | 118.3 | 148.4 | -65.2 | -10.7 | 0 | 0 | 0 | 123 | ||||
| 109 | I | 31.3 | Very low | 31.6 | Very low | 165 Ų | 165 | 153.6 Ų | 153.6 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | 86.2 | 154.9 | 133.9 | -67.1 | 169.1 | 0 | 0 | 0 | 117.9 | ||||
| 110 | A | 28.9 | Very low | 31.2 | Very low | 84 Ų | 84 | 151.8 Ų | 151.8 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | trans | -131.7 | -170.9 | -160.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 111 | E | 26.8 | Very low | 30.9 | Very low | 181 Ų | 181 | 148 Ų | 148 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | 76.3 | 162.7 | 173.7 | -55.7 | -152 | 107.5 | 0 | 0 | 118.3 | ||||
| 112 | T | 27.1 | Very low | 30.4 | Very low | 91 Ų | 91 | 146.4 Ų | 146.4 | 56% | 0.558 | 79% | 0.788 | S | S | * | * | cis | -163.4 | 167.3 | -45.2 | -69.3 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 113 | H | 34.3 | Very low | 30.6 | Very low | 151 Ų | 151 | 148.3 Ų | 148.3 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | 75.6 | 158 | 168.5 | -47.8 | -86.2 | 0 | 0 | 0 | 116.4 | ||||
| 114 | Q | 30.6 | Very low | 31.2 | Very low | 179 Ų | 179 | 145.7 Ų | 145.7 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | cis | -166.9 | 164.8 | -25.1 | -101.9 | 172.6 | 18.4 | 0 | 0 | 105.1 | ||||
| 115 | G | 25.3 | Very low | 30.9 | Very low | 64 Ų | 64 | 141.1 Ų | 141.1 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | cis | -162.4 | -171.9 | 1.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 116 | K | 30.5 | Very low | 30.6 | Very low | 214 Ų | 214 | 140.6 Ų | 140.6 | 93% | 0.93 | 77% | 0.767 | S | S | * | * | -165 | 168.7 | 65.6 | -88.4 | 168.6 | 174.9 | 168.6 | 0 | 111.5 | |||||
| 117 | R | 25.6 | Very low | 30.5 | Very low | 230 Ų | 230 | 135.5 Ų | 135.5 | 87% | 0.868 | 75% | 0.753 | S | S | * | * | trans | -63.2 | 165.1 | 169.6 | -61.7 | 177.3 | 170.9 | -173.8 | -3.5 | 111.2 | ||||
| 118 | L | 30 | Very low | 30.5 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | cis | -152.5 | 144.7 | 44.2 | -73.9 | 160 | 0 | 0 | 0 | 109.4 | ||||
| 119 | S | 27.9 | Very low | 30.3 | Very low | 107 Ų | 107 | 137.3 Ų | 137.3 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | 54.9 | 135.9 | 82.3 | -47.6 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 120 | A | 27.5 | Very low | 30.3 | Very low | 86 Ų | 86 | 139 Ų | 139 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | cis | -171.3 | 164.2 | -14.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 121 | S | 27.7 | Very low | 30.3 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | 82.5 | 148 | 147.9 | 79.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 122 | N | 26.9 | Very low | 30.3 | Very low | 153 Ų | 153 | 141.1 Ų | 141.1 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | 83.6 | 113.6 | 151.6 | -58.9 | -21.3 | 0 | 0 | 0 | 122.4 | ||||
| 123 | S | 34.2 | Very low | 30.6 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -79.8 | -179.3 | 159 | -40.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 124 | P | 45.2 | Very low | 30.3 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | -161.1 | 165.3 | 91.7 | 41.1 | -21.4 | 0 | 0 | 0 | 119.7 | |||||
| 125 | S | 33.2 | Very low | 30.5 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 74.3 | 163 | 149.8 | 82.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 126 | K | 31.7 | Very low | 31.3 | Very low | 185 Ų | 185 | 146.2 Ų | 146.2 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | cis | -157.6 | 154.3 | 12.3 | -146 | 160.3 | -177.1 | 177.8 | 0 | 112.5 | ||||
| 127 | C | 29 | Very low | 31.1 | Very low | 98 Ų | 98 | 139.7 Ų | 139.7 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | trans | 18.1 | 155.1 | 147.2 | -63 | 0 | 0 | 0 | 0 | 123 | ||||
| 128 | Q | 34.2 | Very low | 31.4 | Very low | 159 Ų | 159 | 134 Ų | 134 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | cis | -169.6 | 170.4 | 5.7 | -122.9 | 161.6 | -23.2 | 0 | 0 | 113.4 | ||||
| 129 | Q | 29.3 | Very low | 31.5 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 73% | 0.729 | 77% | 0.77 | S | S | * | * | trans | 56 | 115.4 | 157.7 | -110.3 | 119.4 | -66.5 | 0 | 0 | 120.1 | ||||
| 130 | R | 30.9 | Very low | 31.6 | Very low | 199 Ų | 199 | 134.5 Ų | 134.5 | 75% | 0.751 | 77% | 0.769 | S | S | * | * | 78.6 | 117 | 61.9 | -160.1 | -178.3 | -148.7 | -173.2 | 8.2 | 112.9 | |||||
| 131 | T | 29.4 | Very low | 31.6 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | -166.3 | 135.7 | 90.8 | -70.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 132 | R | 26.8 | Very low | 31.8 | Very low | 189 Ų | 189 | 137 Ų | 137 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | 6 | 140.1 | 153.5 | -45.3 | -179.7 | -169.4 | -150.7 | 2.8 | 119.7 | ||||
| 133 | I | 31.9 | Very low | 31.9 | Very low | 155 Ų | 155 | 136 Ų | 136 | 80% | 0.795 | 77% | 0.774 | S | S | * | * | cis | 67.4 | 120.3 | 46.7 | -48.6 | 165.2 | 0 | 0 | 0 | 110.7 | ||||
| 134 | S | 29.8 | Very low | 32.1 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | -159.8 | 175.9 | 65.2 | -55.9 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 135 | F | 33.8 | Very low | 31.6 | Very low | 198 Ų | 198 | 137.2 Ų | 137.2 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | -73.5 | 167.9 | 172.7 | -60.6 | -95.2 | 0 | 0 | 0 | 114.7 | ||||
| 136 | P | 41.3 | Very low | 31.4 | Very low | 128 Ų | 128 | 138 Ų | 138 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | -128.7 | -179.4 | 86.3 | 40.3 | -32.2 | 0 | 0 | 0 | 112.7 | |||||
| 137 | G | 28.1 | Very low | 31.5 | Very low | 77 Ų | 77 | 140.1 Ų | 140.1 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | cis | -169.3 | 174.8 | 0.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 138 | S | 30.1 | Very low | 31.8 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -99 | 139.8 | -170.2 | -179.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 139 | L | 32.8 | Very low | 31.6 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 93% | 0.927 | 78% | 0.78 | S | S | * | * | trans | -146 | 144.8 | 143.5 | -80 | -173.4 | 0 | 0 | 0 | 109.9 | ||||
| 140 | A | 30.6 | Very low | 32 | Very low | 88 Ų | 88 | 143.6 Ų | 143.6 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -131.5 | 141.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 141 | V | 28 | Very low | 32.1 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | trans | -136 | 149.1 | 170.7 | 177.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 142 | S | 30.6 | Very low | 32.6 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | trans | -137.9 | 170.6 | -165.8 | -68.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 143 | T | 30.3 | Very low | 32.9 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | 75.6 | 160.1 | 166.6 | 78.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 144 | P | 37.6 | Very low | 33.2 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | cis | -128 | 165.1 | -38.1 | 28.5 | -11.5 | 0 | 0 | 0 | 113 | ||||
| 145 | V | 33.8 | Very low | 33.5 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -104.7 | 106.5 | 162.8 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 146 | D | 29.3 | Very low | 33.7 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 65% | 0.652 | 80% | 0.797 | S | S | * | * | trans | -83 | 153.8 | -176.7 | -140.2 | -45 | 0 | 0 | 0 | 112.9 | H148 | D146-H148 IonicContact OD1-CE1 3.89Å; D146-H148 IonicContact OD1-ND1 2.64Å | ||
| 147 | R | 34.6 | Very low | 33.3 | Very low | 229 Ų | 229 | 130.5 Ų | 130.5 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -123.8 | 100.1 | -177.6 | -83 | -177.4 | 170 | 172.4 | -2.1 | 110.7 | ||||
| 148 | H | 34.3 | Very low | 34.1 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | trans | -117.2 | 143.5 | 158.3 | -53.9 | -24.8 | 0 | 0 | 0 | 108.2 | D146 | D146-H148 IonicContact OD1-CE1 3.89Å; D146-H148 IonicContact OD1-ND1 2.64Å | ||
| 149 | G | 30.2 | Very low | 34.5 | Very low | 69 Ų | 69 | 133.8 Ų | 133.8 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | cis | 154.3 | 95.9 | 2.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | S151 | G149-S151 PolarHBondContact O-N 2.67Š| ||
| 150 | R | 38.7 | Very low | 35 | Very low | 244 Ų | 244 | 131.8 Ų | 131.8 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -72.2 | 95.7 | -172.7 | -178.9 | -177.1 | -74 | -147.1 | -2.2 | 110 | ||||
| 151 | S | 32.4 | Very low | 35.3 | Very low | 109 Ų | 109 | 136 Ų | 136 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -93.9 | 127 | 165.9 | -170.8 | 0 | 0 | 0 | 0 | 110.2 | G149 | G149-S151 PolarHBondContact O-N 2.67Š| ||
| 152 | T | 38.8 | Very low | 36.1 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -97.7 | 105.8 | 172.4 | 46.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 153 | A | 35.1 | Very low | 37 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -124.4 | 114.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 154 | A | 37.6 | Very low | 37.8 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -94.2 | 135.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 155 | L | 35.3 | Very low | 38.7 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | -176.7 | 167.5 | 127.2 | -97.1 | 168.3 | 0 | 0 | 0 | 110.4 | |||||
| 156 | S | 38.3 | Very low | 39.7 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | trans | -67.7 | 131.4 | -168.2 | 52.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 157 | S | 33.9 | Very low | 41.3 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -148 | 117.8 | 150.5 | -68.8 | 0 | 0 | 0 | 0 | 109 | P159 | S157-P159 VanDerWaalsContact O-CD 3.32Å; S157-P159 WeakPolarHBondContact O-CD 3.32Å | ||
| 158 | T | 44.2 | Very low | 43.1 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 83% | 0.828 | 75% | 0.745 | S | S | * | * | trans | -87.2 | 110.6 | 170.4 | 44.9 | 0 | 0 | 0 | 0 | 110.1 | N160 | T158-N160 VanDerWaalsContact C-N 3.32Å; T158-N160 PolarHBondContact O-N 2.85Å | ||
| 159 | P | 38.1 | Very low | 45 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | trans | -81.9 | 82.5 | 176.6 | -1.1 | 21.7 | 0 | 0 | 0 | 108.5 | S157 H161 | S157-P159 VanDerWaalsContact O-CD 3.32Å; S157-P159 WeakPolarHBondContact O-CD 3.32Å; P159-H161 VanDerWaalsContact C-N 3.27Å; P159-H161 PolarHBondContact O-N 2.82Å | ||
| 160 | N | 44 | Very low | 47.4 | Very low | 136 Ų | 136 | 124 Ų | 124 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | trans | -74.7 | 83.4 | 172.4 | -174.5 | 31 | 0 | 0 | 0 | 109.4 | T158 | T158-N160 VanDerWaalsContact C-N 3.32Å; T158-N160 PolarHBondContact O-N 2.85Å | ||
| 161 | H | 35.3 | Very low | 49.5 | Very low | 175 Ų | 175 | 115.3 Ų | 115.3 | 81% | 0.81 | 68% | 0.681 | S | S | * | * | trans | -129.7 | 118.1 | 174.9 | -119.3 | -75.9 | 0 | 0 | 0 | 111.2 | P159 H163 | P159-H161 VanDerWaalsContact C-N 3.27Å; P159-H161 PolarHBondContact O-N 2.82Å; H161-H163 PolarHBondContact O-N 3.34Å | ||
| 162 | H | 46.7 | Very low | 51.9 | Low | 153 Ų | 153 | 114.7 Ų | 114.7 | 71% | 0.708 | 66% | 0.661 | S | S | * | * | trans | -61.5 | 123.7 | 167 | -51.6 | -81.6 | 0 | 0 | 0 | 108.9 | ||||
| 163 | H | 48.4 | Very low | 54.1 | Low | 174 Ų | 174 | 110 Ų | 110 | 81% | 0.806 | 63% | 0.63 | S | S | * | * | trans | 159.9 | 76.2 | 146.6 | -83.6 | -56.1 | 0 | 0 | 0 | 111.8 | H161 | H161-H163 PolarHBondContact O-N 3.34Š| ||
| 164 | V | 47.6 | Very low | 56.6 | Low | 137 Ų | 137 | 110.6 Ų | 110.6 | 83% | 0.83 | 62% | 0.616 | S | S | * | * | trans | -126.8 | 97 | 147.4 | -177.5 | 0 | 0 | 0 | 0 | 106.8 | P166 | V164-P166 WeakPolarHBondContact O-CD 3.42Š| ||
| 165 | T | 55.8 | Low | 59.1 | Low | 69 Ų | 69 | 110.6 Ų | 110.6 | 42% | 0.423 | 60% | 0.599 | S | S | . | * | trans | -65.2 | 119.5 | 167.8 | 53.7 | 0 | 0 | 0 | 0 | 107.4 | N167 R172 | T165-N167 PolarHBondContact O-N 2.78Å; T165-N167 PolarHBondContact O-OD1 3.45Å; T165-N167 PolarHBondContact OG1-OD1 3.45Å; T165-R172 PolarHBondContact OG1-NH2 2.98Å | ||
| 166 | P | 54.9 | Low | 61.6 | Low | 69 Ų | 69 | 103.2 Ų | 103.2 | 45% | 0.448 | 56% | 0.563 | S | S | . | * | trans | -70.7 | 109.2 | -178 | 29.6 | -34.2 | 0 | 0 | 0 | 108 | V164 L168 L171 | V164-P166 WeakPolarHBondContact O-CD 3.42Å; P166-L168 PolarHBondContact O-N 3.21Å; P166-L171 HydrophobicContact CB-CD1 3.62Å; P166-L171 HydrophobicContact CG-CB 4.27Å; P166-L171 HydrophobicContact CG-CD1 3.46Å; P166-L171 VanDerWaalsContact CG-CD1 3.46Å; P166-L171 HydrophobicContact CG-CG 4.48Å | ||
| 167 | N | 63.7 | Low | 64.1 | Low | 130 Ų | 130 | 98.9 Ų | 98.9 | 70% | 0.695 | 53% | 0.532 | S | S | * | . | trans | -75.9 | 29.5 | -171.7 | -67.9 | -36 | 0 | 0 | 0 | 113.5 | T165 | T165-N167 PolarHBondContact O-N 2.78Å; T165-N167 PolarHBondContact O-OD1 3.45Å; T165-N167 PolarHBondContact OG1-OD1 3.45Å | ||
| 168 | L | 71.4 | Confident | 66.7 | Low | 103 Ų | 103 | 96.6 Ų | 96.6 | 54% | 0.539 | 52% | 0.515 | S | S | . | . | trans | -82.2 | 125.1 | 173.7 | -66.9 | 168.6 | 0 | 0 | 0 | 109 | P166 I170 L171 R172 | P166-L168 PolarHBondContact O-N 3.21Å; L168-I170 HydrophobicContact CB-CG2 4.26Å; L168-I170 PolarHBondContact O-N 2.8Å; L168-I170 VanDerWaalsContact O-N 3.11Å; L168-L171 HydrophobicContact CB-CD1 4.23Å; L168-L171 HydrophobicContact CB-CG 4.39Å; L168-L171 HydrophobicContact CD1-CD1 3.96Å; L168-L171 PolarHBondContact O-N 2.8Å; L168-R172 PolarHBondContact O-N 2.99Å | ||
| 169 | P | 75.1 | Confident | 68.9 | Low | 55 Ų | 55 | 94.1 Ų | 94.1 | 36% | 0.357 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -54 | -34.4 | -178.8 | -29.7 | 36.1 | 0 | 0 | 0 | 114.2 | L171 R172 F173 P204 | P169-L171 VanDerWaalsContact C-N 3.34Å; P169-L171 PolarHBondContact O-N 3.3Å; P169-R172 PolarHBondContact O-N 3.36Å; P169-F173 WeakPolarHBondContact O-CB 3.34Å; P169-F173 PolarHBondContact O-N 2.69Å; P169-P204 HydrophobicContact CB-CG 4.19Å; P169-P204 HydrophobicContact CG-CG 4.38Å |
| 170 | I | 80.9 | Confident | 71.3 | Confident | 76 Ų | 76 | 91.8 Ų | 91.8 | 39% | 0.39 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.8 | -32.8 | 178.3 | -170.9 | 161.6 | 0 | 0 | 0 | 113.5 | L168 F173 Q174 V208 | L168-I170 HydrophobicContact CB-CG2 4.26Å; L168-I170 PolarHBondContact O-N 2.8Å; L168-I170 VanDerWaalsContact O-N 3.11Å; I170-F173 PolarHBondContact O-N 3.48Å; I170-Q174 WeakPolarHBondContact O-CB 3.48Å; I170-Q174 PolarHBondContact O-N 2.93Å; I170-V208 HydrophobicContact CB-CG1 4.28Å; I170-V208 HydrophobicContact CB-CG2 4.08Å; I170-V208 HydrophobicContact CD1-CG1 4.05Å; I170-V208 HydrophobicContact CG2-CG1 4.37Å |
| 171 | L | 82 | Confident | 73.5 | Confident | 63 Ų | 63 | 86.6 Ų | 86.6 | 33% | 0.33 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -79.6 | -30.8 | 178.9 | -66.4 | 173.3 | 0 | 0 | 0 | 111.7 | P166 L168 P169 Q175 | P166-L171 HydrophobicContact CB-CD1 3.62Å; P166-L171 HydrophobicContact CG-CB 4.27Å; P166-L171 HydrophobicContact CG-CD1 3.46Å; P166-L171 VanDerWaalsContact CG-CD1 3.46Å; P166-L171 HydrophobicContact CG-CG 4.48Å; L168-L171 HydrophobicContact CB-CD1 4.23Å; L168-L171 HydrophobicContact CB-CG 4.39Å; L168-L171 HydrophobicContact CD1-CD1 3.96Å; L168-L171 PolarHBondContact O-N 2.8Å; P169-L171 VanDerWaalsContact C-N 3.34Å; P169-L171 PolarHBondContact O-N 3.3Å; L171-Q175 WeakPolarHBondContact O-CB 3.45Å; L171-Q175 PolarHBondContact O-N 2.82Å |
| 172 | R | 81.9 | Confident | 76.2 | Confident | 95 Ų | 95 | 81.5 Ų | 81.5 | 36% | 0.358 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.9 | -39.8 | 168.3 | -63.7 | -62.7 | -170.2 | 162.1 | 5 | 111.8 | T165 L168 P169 A176 Y203 | T165-R172 PolarHBondContact OG1-NH2 2.98Å; L168-R172 PolarHBondContact O-N 2.99Å; P169-R172 PolarHBondContact O-N 3.36Å; R172-A176 WeakPolarHBondContact O-CB 3.04Å; R172-A176 PolarHBondContact O-N 3.31Å; R172-Y203 HydrophobicContact CB-CD1 4.37Å; R172-Y203 HydrophobicContact CB-CE1 3.82Å |
| 173 | F | 86.6 | Confident | 78.2 | Confident | 32 Ų | 32 | 79.1 Ų | 79.1 | 14% | 0.14 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 171.7 | 168.7 | -110.2 | 0 | 0 | 0 | 111.9 | P169 I170 Q175 A176 V177 I196 I199 A200 Y203 L205 | P169-F173 WeakPolarHBondContact O-CB 3.34Å; P169-F173 PolarHBondContact O-N 2.69Å; I170-F173 PolarHBondContact O-N 3.48Å; F173-Q175 VanDerWaalsContact C-N 3.33Å; F173-Q175 PolarHBondContact O-N 2.71Å; F173-A176 PolarHBondContact O-N 3.23Å; F173-V177 HydrophobicContact CD2-CG2 3.92Å; F173-V177 HydrophobicContact CE1-CG2 4.14Å; F173-V177 HydrophobicContact CE2-CG2 3.45Å; F173-V177 VanDerWaalsContact CE2-CG2 3.45Å; F173-V177 HydrophobicContact CG-CG2 4.44Å; F173-V177 HydrophobicContact CZ-CG2 3.59Å; F173-V177 WeakPolarHBondContact O-CB 3.27Å; F173-V177 WeakPolarHBondContact O-CG2 3.47Å; F173-V177 PolarHBondContact O-N 2.85Å; F173-I196 HydrophobicContact CE2-CG2 4.49Å; F173-I196 HydrophobicContact CZ-CG2 3.86Å; F173-I199 HydrophobicContact CD2-CG2 3.82Å; F173-I199 HydrophobicContact CE2-CB 4.21Å; F173-I199 HydrophobicContact CE2-CG2 3.89Å; F173-A200 HydrophobicContact CE2-CB 3.85Å; F173-A200 HydrophobicContact CZ-CB 4.14Å; F173-Y203 HydrophobicContact CB-CD1 4.24Å; F173-Y203 HydrophobicContact CB-CD2 4.1Å; F173-Y203 HydrophobicContact CB-CG 3.89Å; F173-Y203 AromaticContact CD2-CD2 3.83Å; F173-Y203 HydrophobicContact CD2-CD2 3.83Å; F173-Y203 HydrophobicContact CD2-CG 4.29Å; F173-Y203 HydrophobicContact CG-CD2 4.47Å; F173-L205 HydrophobicContact CB-CD2 3.85Å; F173-L205 HydrophobicContact CD1-CD1 3.8Å; F173-L205 HydrophobicContact CD1-CD2 3.92Å; F173-L205 HydrophobicContact CD2-CD1 3.87Å; F173-L205 HydrophobicContact CE1-CD1 3.76Å; F173-L205 HydrophobicContact CE2-CD1 3.84Å; F173-L205 HydrophobicContact CG-CD1 3.85Å; F173-L205 HydrophobicContact CG-CD2 3.85Å; F173-L205 HydrophobicContact CG-CG 4.36Å; F173-L205 HydrophobicContact CZ-CD1 3.77Å |
| 174 | Q | 87.2 | Confident | 80.1 | Confident | 110 Ų | 110 | 71.6 Ų | 71.6 | 51% | 0.514 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -57.7 | -45.1 | 176.9 | -177.1 | 179.9 | -4.9 | 0 | 0 | 111.4 | I170 V177 C178 | I170-Q174 WeakPolarHBondContact O-CB 3.48Å; I170-Q174 PolarHBondContact O-N 2.93Å; Q174-V177 PolarHBondContact O-N 3.34Å; Q174-C178 WeakPolarHBondContact O-CB 3.47Å; Q174-C178 PolarHBondContact O-N 2.83Å; Q174-C178 PolarHBondContact O-SG 3.25Å |
| 175 | Q | 88.9 | Confident | 82 | Confident | 96 Ų | 96 | 70.1 Ų | 70.1 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.7 | -51.2 | 174.4 | -177.3 | -176.1 | -13.3 | 0 | 0 | 111.5 | L171 F173 V177 C178 E179 | L171-Q175 WeakPolarHBondContact O-CB 3.45Å; L171-Q175 PolarHBondContact O-N 2.82Å; F173-Q175 VanDerWaalsContact C-N 3.33Å; F173-Q175 PolarHBondContact O-N 2.71Å; Q175-V177 VanDerWaalsContact C-N 3.33Å; Q175-V177 PolarHBondContact O-N 3.22Å; Q175-C178 PolarHBondContact O-N 3.06Å; Q175-E179 WeakPolarHBondContact CG-OE1 3.1Å; Q175-E179 PolarHBondContact NE2-OE1 3.36Å; Q175-E179 WeakPolarHBondContact O-CG 3.17Å; Q175-E179 PolarHBondContact O-N 3.43Å |
| 176 | A | 88.1 | Confident | 83.7 | Confident | 16 Ų | 16 | 75 Ų | 75 | 13% | 0.132 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.1 | -38.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R172 F173 E179 E180 I199 Y203 | R172-A176 WeakPolarHBondContact O-CB 3.04Å; R172-A176 PolarHBondContact O-N 3.31Å; F173-A176 PolarHBondContact O-N 3.23Å; A176-E179 PolarHBondContact O-N 3.33Å; A176-E180 PolarHBondContact O-N 3.18Å; A176-I199 HydrophobicContact CB-CG2 3.98Å; A176-Y203 HydrophobicContact CB-CE2 3.89Å; A176-Y203 WeakPolarHBondContact CB-OH 3.41Å |
| 177 | V | 90.4 | Very high | 85.3 | Confident | 15 Ų | 15 | 80.2 Ų | 80.2 | 9% | 0.091 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.4 | -48 | 173 | 167.7 | 0 | 0 | 0 | 0 | 111 | F173 Q174 Q175 E179 E180 L181 I196 I199 | F173-V177 HydrophobicContact CD2-CG2 3.92Å; F173-V177 HydrophobicContact CE1-CG2 4.14Å; F173-V177 HydrophobicContact CE2-CG2 3.45Å; F173-V177 VanDerWaalsContact CE2-CG2 3.45Å; F173-V177 HydrophobicContact CG-CG2 4.44Å; F173-V177 HydrophobicContact CZ-CG2 3.59Å; F173-V177 WeakPolarHBondContact O-CB 3.27Å; F173-V177 WeakPolarHBondContact O-CG2 3.47Å; F173-V177 PolarHBondContact O-N 2.85Å; Q174-V177 PolarHBondContact O-N 3.34Å; Q175-V177 VanDerWaalsContact C-N 3.33Å; Q175-V177 PolarHBondContact O-N 3.22Å; V177-E179 VanDerWaalsContact C-N 3.33Å; V177-E179 PolarHBondContact O-N 3.36Å; V177-E180 PolarHBondContact O-N 3.49Å; V177-L181 HydrophobicContact CG1-CD1 3.64Å; V177-L181 HydrophobicContact CG1-CG 4.18Å; V177-L181 VanDerWaalsContact O-CB 3.25Å; V177-L181 WeakPolarHBondContact O-CB 3.32Å; V177-L181 VanDerWaalsContact O-CG 3.22Å; V177-L181 WeakPolarHBondContact O-CG 3.46Å; V177-L181 PolarHBondContact O-N 3Å; V177-I196 HydrophobicContact CG1-CD1 4.09Å; V177-I196 HydrophobicContact CG1-CG1 4.01Å; V177-I196 HydrophobicContact CG2-CG2 4.12Å; V177-I199 HydrophobicContact CG2-CB 4.34Å; V177-I199 HydrophobicContact CG2-CD1 4.05Å; V177-I199 HydrophobicContact CG2-CG2 4.07Å |
| 178 | C | 89.4 | Confident | 86.3 | Confident | 67 Ų | 67 | 78.6 Ų | 78.6 | 45% | 0.453 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.9 | -39.1 | 177.1 | -71.2 | 0 | 0 | 0 | 0 | 112.4 | Q174 Q175 T182 | Q174-C178 WeakPolarHBondContact O-CB 3.47Å; Q174-C178 PolarHBondContact O-N 2.83Å; Q174-C178 PolarHBondContact O-SG 3.25Å; Q175-C178 PolarHBondContact O-N 3.06Å; C178-T182 VanDerWaalsContact O-CB 3.27Å; C178-T182 WeakPolarHBondContact O-CB 3.31Å; C178-T182 PolarHBondContact O-N 3.25Å; C178-T182 PolarHBondContact O-OG1 3.4Å |
| 179 | E | 90.8 | Very high | 87.1 | Confident | 83 Ų | 83 | 83.7 Ų | 83.7 | 39% | 0.388 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.4 | -48.7 | 176.5 | -75.8 | -179.8 | -154.4 | 0 | 0 | 112.4 | Q175 A176 V177 T182 K183 | Q175-E179 WeakPolarHBondContact CG-OE1 3.1Å; Q175-E179 PolarHBondContact NE2-OE1 3.36Å; Q175-E179 WeakPolarHBondContact O-CG 3.17Å; Q175-E179 PolarHBondContact O-N 3.43Å; A176-E179 PolarHBondContact O-N 3.33Å; V177-E179 VanDerWaalsContact C-N 3.33Å; V177-E179 PolarHBondContact O-N 3.36Å; E179-T182 WeakPolarHBondContact O-CB 3.15Å; E179-T182 PolarHBondContact O-N 3.39Å; E179-K183 VanDerWaalsContact O-CG 3.3Å; E179-K183 WeakPolarHBondContact O-CG 3.35Å; E179-K183 PolarHBondContact O-N 2.79Å |
| 180 | E | 88.9 | Confident | 87.6 | Confident | 73 Ų | 73 | 90.6 Ų | 90.6 | 34% | 0.341 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.7 | -37.8 | 178.5 | -72.2 | -54.2 | 136.6 | 0 | 0 | 112.8 | A176 V177 T182 K183 S184 V195 I199 | A176-E180 PolarHBondContact O-N 3.18Å; V177-E180 PolarHBondContact O-N 3.49Å; E180-T182 VanDerWaalsContact C-N 3.29Å; E180-T182 PolarHBondContact O-N 2.98Å; E180-K183 PolarHBondContact O-N 2.88Å; E180-K183 WeakPolarHBondContact OE1-CD 3.42Å; E180-K183 WeakPolarHBondContact OE1-CE 3.35Å; E180-K183 IonicContact OE1-NZ 2.67Å; E180-K183 PolarHBondContact OE1-NZ 3.3Å; E180-S184 WeakPolarHBondContact O-CB 3.43Å; E180-S184 PolarHBondContact O-N 2.82Å; E180-V195 HydrophobicContact CB-CG1 4.21Å; E180-I199 HydrophobicContact CB-CD1 3.69Å; E180-I199 HydrophobicContact CG-CD1 3.77Å; E180-I199 HydrophobicContact CG-CG1 4.47Å |
| 181 | L | 90.1 | Very high | 87.8 | Confident | 27 Ų | 27 | 93 Ų | 93 | 14% | 0.141 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61 | -40.6 | 171.8 | -72.9 | 176.9 | 0 | 0 | 0 | 110.9 | V177 S184 Y185 Y191 I196 | V177-L181 HydrophobicContact CG1-CD1 3.64Å; V177-L181 HydrophobicContact CG1-CG 4.18Å; V177-L181 VanDerWaalsContact O-CB 3.25Å; V177-L181 WeakPolarHBondContact O-CB 3.32Å; V177-L181 VanDerWaalsContact O-CG 3.22Å; V177-L181 WeakPolarHBondContact O-CG 3.46Å; V177-L181 PolarHBondContact O-N 3Å; L181-S184 PolarHBondContact O-N 3.18Å; L181-S184 PolarHBondContact O-OG 3.32Å; L181-Y185 WeakPolarHBondContact O-CB 3.34Å; L181-Y185 PolarHBondContact O-N 3.03Å; L181-Y191 HydrophobicContact CB-CD1 4.03Å; L181-Y191 HydrophobicContact CB-CE1 4.48Å; L181-Y191 HydrophobicContact CD2-CD1 4.42Å; L181-I196 HydrophobicContact CD1-CD1 4.3Å |
| 182 | T | 91.3 | Very high | 87.9 | Confident | 68 Ų | 68 | 93 Ų | 93 | 42% | 0.417 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 174.1 | -60.1 | 0 | 0 | 0 | 0 | 112.2 | C178 E179 E180 K186 | C178-T182 VanDerWaalsContact O-CB 3.27Å; C178-T182 WeakPolarHBondContact O-CB 3.31Å; C178-T182 PolarHBondContact O-N 3.25Å; C178-T182 PolarHBondContact O-OG1 3.4Å; E179-T182 WeakPolarHBondContact O-CB 3.15Å; E179-T182 PolarHBondContact O-N 3.39Å; E180-T182 VanDerWaalsContact C-N 3.29Å; E180-T182 PolarHBondContact O-N 2.98Å; T182-K186 HydrophobicContact CG2-CD 4.29Å; T182-K186 WeakPolarHBondContact O-CB 3.46Å; T182-K186 WeakPolarHBondContact O-CG 3.22Å; T182-K186 PolarHBondContact O-N 2.98Å |
| 183 | K | 89 | Confident | 88.1 | Confident | 103 Ų | 103 | 95.1 Ų | 95.1 | 45% | 0.448 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 174.3 | -67.4 | 164.6 | -154.6 | 170.9 | 0 | 111.2 | E179 E180 Y185 K186 K187 | E179-K183 VanDerWaalsContact O-CG 3.3Å; E179-K183 WeakPolarHBondContact O-CG 3.35Å; E179-K183 PolarHBondContact O-N 2.79Å; E180-K183 PolarHBondContact O-N 2.88Å; E180-K183 WeakPolarHBondContact OE1-CD 3.42Å; E180-K183 WeakPolarHBondContact OE1-CE 3.35Å; E180-K183 IonicContact OE1-NZ 2.67Å; E180-K183 PolarHBondContact OE1-NZ 3.3Å; K183-Y185 PolarHBondContact O-N 3.4Å; K183-K186 PolarHBondContact O-N 3.42Å; K183-K187 PolarHBondContact O-N 3.2Å |
| 184 | S | 87.2 | Confident | 88 | Confident | 16 Ų | 16 | 97.1 Ų | 97.1 | 11% | 0.112 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 177.1 | 79 | 0 | 0 | 0 | 0 | 111.8 | E180 L181 K187 N188 R190 D192 | E180-S184 WeakPolarHBondContact O-CB 3.43Å; E180-S184 PolarHBondContact O-N 2.82Å; L181-S184 PolarHBondContact O-N 3.18Å; L181-S184 PolarHBondContact O-OG 3.32Å; S184-K187 PolarHBondContact O-N 3.14Å; S184-N188 WeakPolarHBondContact O-CB 3.25Å; S184-N188 PolarHBondContact O-N 3.47Å; S184-R190 CarbonylContact C-O 3.28Å; S184-D192 PolarHBondContact OG-N 2.91Å |
| 185 | Y | 89 | Confident | 87.9 | Confident | 106 Ų | 106 | 93.5 Ų | 93.5 | 42% | 0.416 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.2 | -42.7 | 177.8 | -171.8 | -93.4 | 0 | 0 | 0 | 112 | L181 K183 K187 R189 Y191 | L181-Y185 WeakPolarHBondContact O-CB 3.34Å; L181-Y185 PolarHBondContact O-N 3.03Å; K183-Y185 PolarHBondContact O-N 3.4Å; Y185-K187 VanDerWaalsContact C-N 3.26Å; Y185-K187 PolarHBondContact O-N 3.39Å; Y185-R189 WeakPolarHBondContact CE2-O 3.28Å; Y185-R189 WeakPolarHBondContact O-CA 3.36Å; Y185-R189 PolarHBondContact O-N 3.44Å; Y185-Y191 HydrophobicContact CD2-CD1 4.17Å; Y185-Y191 HydrophobicContact CD2-CD2 4.3Å; Y185-Y191 AromaticContact CD2-CE1 3.84Å; Y185-Y191 HydrophobicContact CD2-CE1 3.84Å; Y185-Y191 AromaticContact CD2-CE2 3.97Å; Y185-Y191 HydrophobicContact CD2-CE2 3.97Å; Y185-Y191 HydrophobicContact CD2-CG 4.39Å; Y185-Y191 AromaticContact CD2-CZ 3.73Å; Y185-Y191 HydrophobicContact CE2-CE2 4.28Å; Y185-Y191 HydrophobicContact CG-CD1 4.44Å; Y185-Y191 AromaticContact CG-CE1 3.92Å; Y185-Y191 HydrophobicContact CG-CE1 3.92Å |
| 186 | K | 90.1 | Very high | 87.8 | Confident | 172 Ų | 172 | 91.1 Ų | 91.1 | 75% | 0.748 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.3 | -34.3 | 174 | -76.6 | 175.6 | 178.4 | -178.6 | 0 | 112.7 | T182 K183 | T182-K186 HydrophobicContact CG2-CD 4.29Å; T182-K186 WeakPolarHBondContact O-CB 3.46Å; T182-K186 WeakPolarHBondContact O-CG 3.22Å; T182-K186 PolarHBondContact O-N 2.98Å; K183-K186 PolarHBondContact O-N 3.42Å |
| 187 | K | 88.9 | Confident | 87.5 | Confident | 178 Ų | 178 | 94 Ų | 94 | 77% | 0.774 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -82.1 | -45.1 | 179.9 | -166.9 | -177.5 | 178.5 | 178.1 | 0 | 113.5 | K183 S184 Y185 | K183-K187 PolarHBondContact O-N 3.2Å; S184-K187 PolarHBondContact O-N 3.14Å; Y185-K187 VanDerWaalsContact C-N 3.26Å; Y185-K187 PolarHBondContact O-N 3.39Å |
| 188 | N | 85.3 | Confident | 87.3 | Confident | 96 Ų | 96 | 99.3 Ų | 99.3 | 51% | 0.513 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -115.9 | -2.9 | -165.7 | -61.1 | -17.8 | 0 | 0 | 0 | 114.1 | S184 R190 | S184-N188 WeakPolarHBondContact O-CB 3.25Å; S184-N188 PolarHBondContact O-N 3.47Å; N188-R190 PolarHBondContact O-N 2.97Å; N188-R190 VanDerWaalsContact O-N 3.08Å |
| 189 | R | 89.1 | Confident | 87 | Confident | 211 Ų | 211 | 96.7 Ų | 96.7 | 80% | 0.796 | 45% | 0.447 | S | S | * | . | S | Bend | trans | 51.8 | 21.1 | -167.7 | -69.3 | -168.6 | 174.2 | -159.4 | 0.1 | 115 | Y185 | Y185-R189 WeakPolarHBondContact CE2-O 3.28Å; Y185-R189 WeakPolarHBondContact O-CA 3.36Å; Y185-R189 PolarHBondContact O-N 3.44Å |
| 190 | R | 84.7 | Confident | 86.7 | Confident | 200 Ų | 200 | 94.2 Ų | 94.2 | 76% | 0.755 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -139.9 | 149.8 | 177 | -58.3 | -173.8 | -167.1 | -163.5 | 4 | 109.5 | S184 N188 | S184-R190 CarbonylContact C-O 3.28Å; N188-R190 PolarHBondContact O-N 2.97Å; N188-R190 VanDerWaalsContact O-N 3.08Å |
| 191 | Y | 85.1 | Confident | 86.3 | Confident | 127 Ų | 127 | 98.4 Ų | 98.4 | 50% | 0.498 | 46% | 0.461 | S | S | . | . | trans | -83 | 126.3 | 171.4 | -63.6 | -63.4 | 0 | 0 | 0 | 110 | L181 Y185 | L181-Y191 HydrophobicContact CB-CD1 4.03Å; L181-Y191 HydrophobicContact CB-CE1 4.48Å; L181-Y191 HydrophobicContact CD2-CD1 4.42Å; Y185-Y191 HydrophobicContact CD2-CD1 4.17Å; Y185-Y191 HydrophobicContact CD2-CD2 4.3Å; Y185-Y191 AromaticContact CD2-CE1 3.84Å; Y185-Y191 HydrophobicContact CD2-CE1 3.84Å; Y185-Y191 AromaticContact CD2-CE2 3.97Å; Y185-Y191 HydrophobicContact CD2-CE2 3.97Å; Y185-Y191 HydrophobicContact CD2-CG 4.39Å; Y185-Y191 AromaticContact CD2-CZ 3.73Å; Y185-Y191 HydrophobicContact CE2-CE2 4.28Å; Y185-Y191 HydrophobicContact CG-CD1 4.44Å; Y185-Y191 AromaticContact CG-CE1 3.92Å; Y185-Y191 HydrophobicContact CG-CE1 3.92Å | ||
| 192 | D | 85.1 | Confident | 85.9 | Confident | 63 Ų | 63 | 105 Ų | 105 | 34% | 0.337 | 49% | 0.488 | S | S | . | . | trans | -99 | 98.4 | 172.4 | -178.1 | 13.2 | 0 | 0 | 0 | 110.7 | S184 S194 V195 | S184-D192 PolarHBondContact OG-N 2.91Å; D192-S194 PolarHBondContact O-N 2.86Å; D192-S194 WeakPolarHBondContact OD1-CB 3.5Å; D192-S194 PolarHBondContact OD1-N 2.67Å; D192-S194 PolarHBondContact OD1-OG 2.94Å; D192-V195 HydrophobicContact CB-CG2 3.96Å; D192-V195 WeakPolarHBondContact O-CG2 3.37Å; D192-V195 PolarHBondContact O-N 2.96Å; D192-V195 WeakPolarHBondContact OD2-CG2 3.3Å | ||
| 193 | F | 84.8 | Confident | 85.3 | Confident | 139 Ų | 139 | 105.2 Ų | 105.2 | 61% | 0.61 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -18.7 | 177.6 | -65 | -89.8 | 0 | 0 | 0 | 112.7 | V195 I196 | F193-V195 PolarHBondContact O-N 3.31Å; F193-I196 HydrophobicContact CB-CD1 4.38Å; F193-I196 HydrophobicContact CD1-CD1 3.72Å; F193-I196 HydrophobicContact CG-CD1 4.49Å; F193-I196 WeakPolarHBondContact O-CB 3.39Å; F193-I196 WeakPolarHBondContact O-CG1 3.47Å; F193-I196 PolarHBondContact O-N 3.17Å |
| 194 | S | 85.9 | Confident | 84.5 | Confident | 74 Ų | 74 | 104 Ų | 104 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.9 | -19.2 | 176.5 | -31 | 0 | 0 | 0 | 0 | 112.9 | D192 I196 | D192-S194 PolarHBondContact O-N 2.86Å; D192-S194 WeakPolarHBondContact OD1-CB 3.5Å; D192-S194 PolarHBondContact OD1-N 2.67Å; D192-S194 PolarHBondContact OD1-OG 2.94Å; S194-I196 VanDerWaalsContact C-N 3.33Å |
| 195 | V | 84.3 | Confident | 83.8 | Confident | 34 Ų | 34 | 105.6 Ų | 105.6 | 21% | 0.206 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -73 | -28.2 | 174.9 | -168 | 0 | 0 | 0 | 0 | 111 | E180 D192 F193 S197 K198 I199 | E180-V195 HydrophobicContact CB-CG1 4.21Å; D192-V195 HydrophobicContact CB-CG2 3.96Å; D192-V195 WeakPolarHBondContact O-CG2 3.37Å; D192-V195 PolarHBondContact O-N 2.96Å; D192-V195 WeakPolarHBondContact OD2-CG2 3.3Å; F193-V195 PolarHBondContact O-N 3.31Å; V195-S197 PolarHBondContact O-N 3.42Å; V195-K198 PolarHBondContact O-N 2.81Å; V195-K198 VanDerWaalsContact O-N 3.12Å; V195-I199 HydrophobicContact CG1-CD1 3.9Å; V195-I199 HydrophobicContact CG1-CG1 4.17Å; V195-I199 WeakPolarHBondContact O-CG1 3.43Å; V195-I199 PolarHBondContact O-N 3.47Å |
| 196 | I | 86.3 | Confident | 82.8 | Confident | 46 Ų | 46 | 102.8 Ų | 102.8 | 24% | 0.236 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -60.7 | -43.3 | -174.9 | -58 | -179 | 0 | 0 | 0 | 111.2 | F173 V177 L181 F193 S194 K198 I199 A200 | F173-I196 HydrophobicContact CE2-CG2 4.49Å; F173-I196 HydrophobicContact CZ-CG2 3.86Å; V177-I196 HydrophobicContact CG1-CD1 4.09Å; V177-I196 HydrophobicContact CG1-CG1 4.01Å; V177-I196 HydrophobicContact CG2-CG2 4.12Å; L181-I196 HydrophobicContact CD1-CD1 4.3Å; F193-I196 HydrophobicContact CB-CD1 4.38Å; F193-I196 HydrophobicContact CD1-CD1 3.72Å; F193-I196 HydrophobicContact CG-CD1 4.49Å; F193-I196 WeakPolarHBondContact O-CB 3.39Å; F193-I196 WeakPolarHBondContact O-CG1 3.47Å; F193-I196 PolarHBondContact O-N 3.17Å; S194-I196 VanDerWaalsContact C-N 3.33Å; I196-K198 PolarHBondContact O-N 2.79Å; I196-I199 PolarHBondContact O-N 3.48Å; I196-I199 VanDerWaalsContact O-N 3.14Å; I196-A200 WeakPolarHBondContact O-CB 3.41Å; I196-A200 PolarHBondContact O-N 3.38Å |
| 197 | S | 82.5 | Confident | 82 | Confident | 76 Ų | 76 | 103.4 Ų | 103.4 | 53% | 0.531 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 176.5 | -48.5 | 0 | 0 | 0 | 0 | 112.3 | V195 I199 A200 E201 | V195-S197 PolarHBondContact O-N 3.42Å; S197-I199 PolarHBondContact O-N 2.9Å; S197-A200 WeakPolarHBondContact O-CB 3.38Å; S197-A200 PolarHBondContact O-N 3.16Å; S197-A200 VanDerWaalsContact O-N 3.1Å; S197-E201 WeakPolarHBondContact O-CG 3.43Å; S197-E201 PolarHBondContact O-N 3.34Å; S197-E201 VanDerWaalsContact O-N 3.08Å |
| 198 | K | 85.1 | Confident | 81.4 | Confident | 127 Ų | 127 | 96 Ų | 96 | 55% | 0.552 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -69.1 | -18.3 | 177.9 | -58.1 | 175.5 | -176.6 | 173.5 | 0 | 113.4 | V195 I196 K202 | V195-K198 PolarHBondContact O-N 2.81Å; V195-K198 VanDerWaalsContact O-N 3.12Å; I196-K198 PolarHBondContact O-N 2.79Å; K198-K202 WeakPolarHBondContact O-CE 3.5Å |
| 199 | I | 84.7 | Confident | 80.8 | Confident | 11 Ų | 11 | 99.6 Ų | 99.6 | 6% | 0.056 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -86.7 | -42.2 | 169.6 | -60.5 | 166.3 | 0 | 0 | 0 | 109.1 | F173 A176 V177 E180 V195 I196 S197 E201 K202 Y203 | F173-I199 HydrophobicContact CD2-CG2 3.82Å; F173-I199 HydrophobicContact CE2-CB 4.21Å; F173-I199 HydrophobicContact CE2-CG2 3.89Å; A176-I199 HydrophobicContact CB-CG2 3.98Å; V177-I199 HydrophobicContact CG2-CB 4.34Å; V177-I199 HydrophobicContact CG2-CD1 4.05Å; V177-I199 HydrophobicContact CG2-CG2 4.07Å; E180-I199 HydrophobicContact CB-CD1 3.69Å; E180-I199 HydrophobicContact CG-CD1 3.77Å; E180-I199 HydrophobicContact CG-CG1 4.47Å; V195-I199 HydrophobicContact CG1-CD1 3.9Å; V195-I199 HydrophobicContact CG1-CG1 4.17Å; V195-I199 WeakPolarHBondContact O-CG1 3.43Å; V195-I199 PolarHBondContact O-N 3.47Å; I196-I199 PolarHBondContact O-N 3.48Å; I196-I199 VanDerWaalsContact O-N 3.14Å; S197-I199 PolarHBondContact O-N 2.9Å; I199-E201 VanDerWaalsContact C-N 3.29Å; I199-E201 PolarHBondContact O-N 3.06Å; I199-K202 WeakPolarHBondContact O-CA 3.44Å; I199-K202 WeakPolarHBondContact O-CB 3.39Å; I199-K202 PolarHBondContact O-N 3.2Å; I199-Y203 HydrophobicContact CG2-CD2 3.96Å; I199-Y203 HydrophobicContact CG2-CE2 3.73Å; I199-Y203 WeakPolarHBondContact O-CD2 3.49Å |
| 200 | A | 82.6 | Confident | 80.1 | Confident | 31 Ų | 31 | 91.2 Ų | 91.2 | 26% | 0.256 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -57.7 | -39.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F173 I196 S197 K202 Y203 L205 | F173-A200 HydrophobicContact CE2-CB 3.85Å; F173-A200 HydrophobicContact CZ-CB 4.14Å; I196-A200 WeakPolarHBondContact O-CB 3.41Å; I196-A200 PolarHBondContact O-N 3.38Å; S197-A200 WeakPolarHBondContact O-CB 3.38Å; S197-A200 PolarHBondContact O-N 3.16Å; S197-A200 VanDerWaalsContact O-N 3.1Å; A200-K202 PolarHBondContact O-N 3.26Å; A200-K202 VanDerWaalsContact O-N 3.11Å; A200-Y203 PolarHBondContact O-N 3.23Å; A200-Y203 VanDerWaalsContact O-N 3.13Å; A200-L205 HydrophobicContact CB-CD1 3.86Å |
| 201 | E | 81 | Confident | 79.6 | Confident | 161 Ų | 161 | 84.1 Ų | 84.1 | 75% | 0.752 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -25.1 | 172.3 | -72.1 | 163.6 | -159.1 | 0 | 0 | 114.1 | S197 I199 | S197-E201 WeakPolarHBondContact O-CG 3.43Å; S197-E201 PolarHBondContact O-N 3.34Å; S197-E201 VanDerWaalsContact O-N 3.08Å; I199-E201 VanDerWaalsContact C-N 3.29Å; I199-E201 PolarHBondContact O-N 3.06Å |
| 202 | K | 81.2 | Confident | 79.1 | Confident | 165 Ų | 165 | 82.3 Ų | 82.3 | 72% | 0.717 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -8.9 | -177.7 | -55.9 | 179.5 | -177.1 | 179 | 0 | 113.9 | K198 I199 A200 | K198-K202 WeakPolarHBondContact O-CE 3.5Å; I199-K202 WeakPolarHBondContact O-CA 3.44Å; I199-K202 WeakPolarHBondContact O-CB 3.39Å; I199-K202 PolarHBondContact O-N 3.2Å; A200-K202 PolarHBondContact O-N 3.26Å; A200-K202 VanDerWaalsContact O-N 3.11Å |
| 203 | Y | 80.1 | Confident | 78.9 | Confident | 73 Ų | 73 | 86.3 Ų | 86.3 | 29% | 0.286 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -119.9 | 140.8 | -179.2 | -70 | -87.3 | 0 | 0 | 0 | 110.4 | R172 F173 A176 I199 A200 L205 | R172-Y203 HydrophobicContact CB-CD1 4.37Å; R172-Y203 HydrophobicContact CB-CE1 3.82Å; F173-Y203 HydrophobicContact CB-CD1 4.24Å; F173-Y203 HydrophobicContact CB-CD2 4.1Å; F173-Y203 HydrophobicContact CB-CG 3.89Å; F173-Y203 AromaticContact CD2-CD2 3.83Å; F173-Y203 HydrophobicContact CD2-CD2 3.83Å; F173-Y203 HydrophobicContact CD2-CG 4.29Å; F173-Y203 HydrophobicContact CG-CD2 4.47Å; A176-Y203 HydrophobicContact CB-CE2 3.89Å; A176-Y203 WeakPolarHBondContact CB-OH 3.41Å; I199-Y203 HydrophobicContact CG2-CD2 3.96Å; I199-Y203 HydrophobicContact CG2-CE2 3.73Å; I199-Y203 WeakPolarHBondContact O-CD2 3.49Å; A200-Y203 PolarHBondContact O-N 3.23Å; A200-Y203 VanDerWaalsContact O-N 3.13Å; Y203-L205 PolarHBondContact O-N 3.08Å |
| 204 | P | 71.4 | Confident | 78.6 | Confident | 79 Ų | 79 | 83.5 Ų | 83.5 | 51% | 0.513 | 46% | 0.463 | S | S | . | . | trans | -77.2 | 60.8 | -177.5 | 32.5 | -36.9 | 0 | 0 | 0 | 112.2 | P169 D206 R207 | P169-P204 HydrophobicContact CB-CG 4.19Å; P169-P204 HydrophobicContact CG-CG 4.38Å; P204-D206 VanDerWaalsContact C-N 3.33Å; P204-D206 PolarHBondContact O-N 2.76Å; P204-R207 PolarHBondContact O-N 3.43Å | ||
| 205 | L | 73.4 | Confident | 78.4 | Confident | 48 Ų | 48 | 84.5 Ų | 84.5 | 25% | 0.251 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -68.9 | -27.3 | -173.8 | -64.2 | -179.4 | 0 | 0 | 0 | 113.6 | F173 A200 Y203 R207 V208 | F173-L205 HydrophobicContact CB-CD2 3.85Å; F173-L205 HydrophobicContact CD1-CD1 3.8Å; F173-L205 HydrophobicContact CD1-CD2 3.92Å; F173-L205 HydrophobicContact CD2-CD1 3.87Å; F173-L205 HydrophobicContact CE1-CD1 3.76Å; F173-L205 HydrophobicContact CE2-CD1 3.84Å; F173-L205 HydrophobicContact CG-CD1 3.85Å; F173-L205 HydrophobicContact CG-CD2 3.85Å; F173-L205 HydrophobicContact CG-CG 4.36Å; F173-L205 HydrophobicContact CZ-CD1 3.77Å; A200-L205 HydrophobicContact CB-CD1 3.86Å; Y203-L205 PolarHBondContact O-N 3.08Å; L205-R207 PolarHBondContact O-N 2.84Å; L205-R207 VanDerWaalsContact O-N 3.11Å; L205-V208 HydrophobicContact CD2-CG2 4.22Å; L205-V208 WeakPolarHBondContact O-CB 3.38Å; L205-V208 WeakPolarHBondContact O-CG2 3.37Å; L205-V208 PolarHBondContact O-N 3.27Å; L205-V208 VanDerWaalsContact O-N 3.11Å |
| 206 | D | 68.3 | Low | 78.4 | Confident | 47 Ų | 47 | 91.7 Ų | 91.7 | 25% | 0.251 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -44.6 | -42.9 | 170.1 | 163.7 | 46.7 | 0 | 0 | 0 | 112.1 | P204 V208 F226 R227 | P204-D206 VanDerWaalsContact C-N 3.33Å; P204-D206 PolarHBondContact O-N 2.76Å; D206-V208 VanDerWaalsContact C-N 3.32Å; D206-V208 PolarHBondContact O-N 2.69Å; D206-F226 HydrophobicContact CB-CD1 4.45Å; D206-F226 HydrophobicContact CB-CE1 3.87Å; D206-R227 PolarHBondContact O-NE 3.4Å; D206-R227 PolarHBondContact O-NH2 3.03Å; D206-R227 WeakPolarHBondContact OD1-CG 3.43Å; D206-R227 IonicContact OD1-NE 2.79Å; D206-R227 PolarHBondContact OD1-NE 2.77Å |
| 207 | R | 71.6 | Confident | 78.3 | Confident | 185 Ų | 185 | 95.8 Ų | 95.8 | 70% | 0.698 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -90.5 | 10.1 | -170.7 | -58.8 | -171.2 | 175.5 | -148.9 | -4.6 | 113.8 | P204 L205 I209 | P204-R207 PolarHBondContact O-N 3.43Å; L205-R207 PolarHBondContact O-N 2.84Å; L205-R207 VanDerWaalsContact O-N 3.11Å; R207-I209 PolarHBondContact O-N 2.87Å |
| 208 | V | 76.4 | Confident | 78.5 | Confident | 24 Ų | 24 | 94.9 Ų | 94.9 | 15% | 0.145 | 51% | 0.507 | C | S | . | . | trans | -70.9 | 116.9 | 177.3 | 175 | 0 | 0 | 0 | 0 | 110.1 | I170 L205 D206 G210 G211 | I170-V208 HydrophobicContact CB-CG1 4.28Å; I170-V208 HydrophobicContact CB-CG2 4.08Å; I170-V208 HydrophobicContact CD1-CG1 4.05Å; I170-V208 HydrophobicContact CG2-CG1 4.37Å; L205-V208 HydrophobicContact CD2-CG2 4.22Å; L205-V208 WeakPolarHBondContact O-CB 3.38Å; L205-V208 WeakPolarHBondContact O-CG2 3.37Å; L205-V208 PolarHBondContact O-N 3.27Å; L205-V208 VanDerWaalsContact O-N 3.11Å; D206-V208 VanDerWaalsContact C-N 3.32Å; D206-V208 PolarHBondContact O-N 2.69Å; V208-G210 PolarHBondContact O-N 2.89Å; V208-G211 PolarHBondContact O-N 3.04Å | ||
| 209 | I | 73.1 | Confident | 78.8 | Confident | 171 Ų | 171 | 91.6 Ų | 91.6 | 88% | 0.877 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 126.9 | 171 | -58 | 175.8 | 0 | 0 | 0 | 108.1 | R207 | R207-I209 PolarHBondContact O-N 2.87Š|
| 210 | G | 74.4 | Confident | 79 | Confident | 35 Ų | 35 | 96.4 Ų | 96.4 | 36% | 0.361 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | -3.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116 | V208 Q212 I213 | V208-G210 PolarHBondContact O-N 2.89Å; G210-Q212 PolarHBondContact O-N 3.43Å; G210-I213 WeakPolarHBondContact O-CB 3.13Å; G210-I213 PolarHBondContact O-N 2.88Å |
| 211 | G | 74.6 | Confident | 79.4 | Confident | 50 Ų | 50 | 95.7 Ų | 95.7 | 52% | 0.515 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 3.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | V208 | V208-G211 PolarHBondContact O-N 3.04Š|
| 212 | Q | 74.8 | Confident | 79.8 | Confident | 89 Ų | 89 | 90.4 Ų | 90.4 | 42% | 0.416 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 2.3 | 173.1 | -60.3 | -68.9 | -77.9 | 0 | 0 | 112.1 | G210 L215 V218 | G210-Q212 PolarHBondContact O-N 3.43Å; Q212-L215 HydrophobicContact CB-CD1 4.34Å; Q212-L215 PolarHBondContact O-N 3.32Å; Q212-V218 HydrophobicContact CB-CG2 4.42Å |
| 213 | I | 79.7 | Confident | 80.1 | Confident | 147 Ų | 147 | 84.2 Ų | 84.2 | 75% | 0.754 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 132.8 | 178.7 | -67.7 | 173.1 | 0 | 0 | 0 | 109 | G210 | G210-I213 WeakPolarHBondContact O-CB 3.13Å; G210-I213 PolarHBondContact O-N 2.88Å |
| 214 | G | 79.6 | Confident | 80.6 | Confident | 81 Ų | 81 | 81.5 Ų | 81.5 | 84% | 0.835 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | 0.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 215 | L | 81.2 | Confident | 81.4 | Confident | 95 Ų | 95 | 79.6 Ų | 79.6 | 50% | 0.497 | 44% | 0.442 | S | S | . | . | trans | -80.6 | 130.9 | 165.4 | -61.6 | 178.8 | 0 | 0 | 0 | 109.6 | Q212 V218 | Q212-L215 HydrophobicContact CB-CD1 4.34Å; Q212-L215 PolarHBondContact O-N 3.32Å; L215-V218 HydrophobicContact CB-CG2 3.92Å; L215-V218 HydrophobicContact CD1-CG2 4.31Å | ||
| 216 | E | 85.1 | Confident | 82 | Confident | 185 Ų | 185 | 84.8 Ų | 84.8 | 86% | 0.864 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -67.9 | -37.9 | 177.2 | -174.7 | -177.6 | -156.2 | 0 | 0 | 112 | ||
| 217 | N | 84.2 | Confident | 82.7 | Confident | 131 Ų | 131 | 87 Ų | 87 | 70% | 0.701 | 47% | 0.468 | S | S | * | . | trans | -129.7 | 132.3 | -177.2 | -68.5 | -76.2 | 0 | 0 | 0 | 109.8 | ||||
| 218 | V | 86.2 | Confident | 83.4 | Confident | 58 Ų | 58 | 83.6 Ų | 83.6 | 35% | 0.352 | 46% | 0.464 | S | S | . | . | trans | -132.1 | 119.4 | -179.6 | 176.8 | 0 | 0 | 0 | 0 | 109.7 | Q212 L215 M220 | Q212-V218 HydrophobicContact CB-CG2 4.42Å; L215-V218 HydrophobicContact CB-CG2 3.92Å; L215-V218 HydrophobicContact CD1-CG2 4.31Å; V218-M220 HydrophobicContact CG1-SD 4.31Å; V218-M220 PolarHBondContact O-N 3.13Å; V218-M220 VanDerWaalsContact O-N 3.08Å | ||
| 219 | D | 90.5 | Very high | 84 | Confident | 58 Ų | 58 | 85.8 Ų | 85.8 | 31% | 0.31 | 47% | 0.473 | S | S | . | . | trans | -75.1 | 98 | 171.8 | -177.7 | -14.4 | 0 | 0 | 0 | 109.9 | F221 T222 S223 W255 | D219-F221 PolarHBondContact O-N 2.69Å; D219-F221 PolarHBondContact OD1-N 2.79Å; D219-T222 VanDerWaalsContact CG-CB 3.43Å; D219-T222 VanDerWaalsContact CG-OG1 3.25Å; D219-T222 PolarHBondContact OD1-N 3.11Å; D219-T222 VanDerWaalsContact OD2-CB 3.22Å; D219-T222 WeakPolarHBondContact OD2-CB 3.41Å; D219-T222 PolarHBondContact OD2-OG1 3.43Å; D219-S223 VanDerWaalsContact O-CB 3.24Å; D219-S223 WeakPolarHBondContact O-CB 3.44Å; D219-S223 PolarHBondContact O-N 3.21Å; D219-S223 PolarHBondContact O-OG 3.01Å; D219-W255 PolarHBondContact OD1-NE1 3.34Å; D219-W255 PolarHBondContact OD2-NE1 3.46Å | ||
| 220 | M | 88.9 | Confident | 84.8 | Confident | 112 Ų | 112 | 82 Ų | 82 | 55% | 0.552 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -61.5 | -40.1 | 177.9 | -68.9 | -64.3 | -69 | 0 | 0 | 112.7 | V218 S223 L224 | V218-M220 HydrophobicContact CG1-SD 4.31Å; V218-M220 PolarHBondContact O-N 3.13Å; V218-M220 VanDerWaalsContact O-N 3.08Å; M220-S223 PolarHBondContact O-N 3.3Å; M220-L224 WeakPolarHBondContact O-CB 3.43Å; M220-L224 WeakPolarHBondContact O-CG 3.39Å; M220-L224 PolarHBondContact O-N 3.15Å |
| 221 | F | 90.9 | Very high | 85.6 | Confident | 15 Ų | 15 | 82.3 Ų | 82.3 | 7% | 0.066 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68.8 | -45.1 | -177.6 | -82.9 | -102.9 | 0 | 0 | 0 | 111.4 | D219 S223 L224 L225 L233 I236 L237 L240 W255 I258 | D219-F221 PolarHBondContact O-N 2.69Å; D219-F221 PolarHBondContact OD1-N 2.79Å; F221-S223 VanDerWaalsContact C-N 3.34Å; F221-L224 PolarHBondContact O-N 2.91Å; F221-L225 WeakPolarHBondContact O-CB 3.49Å; F221-L225 PolarHBondContact O-N 3.31Å; F221-L233 HydrophobicContact CB-CD1 4.38Å; F221-L233 HydrophobicContact CD1-CD1 3.51Å; F221-L233 HydrophobicContact CD1-CG 4.48Å; F221-L233 HydrophobicContact CE1-CD1 4.02Å; F221-L233 HydrophobicContact CG-CD1 4.13Å; F221-I236 HydrophobicContact CE1-CG2 4.37Å; F221-I236 HydrophobicContact CE2-CG2 4.24Å; F221-I236 HydrophobicContact CZ-CG2 3.65Å; F221-L237 HydrophobicContact CE1-CD2 3.88Å; F221-L237 HydrophobicContact CE1-CG 4.33Å; F221-L237 HydrophobicContact CZ-CD2 4.47Å; F221-L240 HydrophobicContact CZ-CD1 4.05Å; F221-W255 HydrophobicContact CB-CD2 4.02Å; F221-W255 HydrophobicContact CB-CG 4.16Å; F221-W255 HydrophobicContact CB-CZ2 4.13Å; F221-W255 HydrophobicContact CD2-CD2 4.02Å; F221-W255 AromaticContact CD2-CE2 3.82Å; F221-W255 AromaticContact CD2-CE3 3.94Å; F221-W255 HydrophobicContact CD2-CE3 3.94Å; F221-W255 AromaticContact CD2-CH2 3.52Å; F221-W255 HydrophobicContact CD2-CH2 3.52Å; F221-W255 AromaticContact CD2-CZ2 3.58Å; F221-W255 HydrophobicContact CD2-CZ2 3.58Å; F221-W255 AromaticContact CD2-CZ3 3.69Å; F221-W255 HydrophobicContact CD2-CZ3 3.69Å; F221-W255 HydrophobicContact CE2-CE3 4.17Å; F221-W255 AromaticContact CE2-CH2 3.86Å; F221-W255 HydrophobicContact CE2-CH2 3.86Å; F221-W255 HydrophobicContact CE2-CZ2 4.39Å; F221-W255 AromaticContact CE2-CZ3 3.73Å; F221-W255 HydrophobicContact CE2-CZ3 3.73Å; F221-W255 AromaticContact CG-CD2 3.96Å; F221-W255 HydrophobicContact CG-CD2 3.96Å; F221-W255 AromaticContact CG-CE2 3.92Å; F221-W255 HydrophobicContact CG-CE3 4.21Å; F221-W255 HydrophobicContact CG-CG 4.41Å; F221-W255 HydrophobicContact CG-CH2 4.4Å; F221-W255 HydrophobicContact CG-CZ2 4.15Å; F221-W255 HydrophobicContact CG-CZ3 4.42Å; F221-W255 HydrophobicContact CZ-CZ3 4.48Å; F221-I258 HydrophobicContact CB-CD1 3.89Å; F221-I258 HydrophobicContact CD1-CD1 4.39Å; F221-I258 HydrophobicContact CD1-CG2 4.11Å |
| 222 | T | 89.3 | Confident | 86.4 | Confident | 51 Ų | 51 | 83.6 Ų | 83.6 | 31% | 0.313 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.6 | -36.7 | 174.6 | -62.1 | 0 | 0 | 0 | 0 | 111.3 | D219 L225 F226 T254 | D219-T222 VanDerWaalsContact CG-CB 3.43Å; D219-T222 VanDerWaalsContact CG-OG1 3.25Å; D219-T222 PolarHBondContact OD1-N 3.11Å; D219-T222 VanDerWaalsContact OD2-CB 3.22Å; D219-T222 WeakPolarHBondContact OD2-CB 3.41Å; D219-T222 PolarHBondContact OD2-OG1 3.43Å; T222-L225 PolarHBondContact O-N 2.84Å; T222-F226 WeakPolarHBondContact O-CB 3.23Å; T222-F226 PolarHBondContact O-N 3.49Å; T222-T254 WeakPolarHBondContact OG1-CG2 3.34Å |
| 223 | S | 88.3 | Confident | 87.3 | Confident | 35 Ų | 35 | 79.8 Ų | 79.8 | 25% | 0.245 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 176.1 | -61.2 | 0 | 0 | 0 | 0 | 113 | D219 M220 F221 R227 | D219-S223 VanDerWaalsContact O-CB 3.24Å; D219-S223 WeakPolarHBondContact O-CB 3.44Å; D219-S223 PolarHBondContact O-N 3.21Å; D219-S223 PolarHBondContact O-OG 3.01Å; M220-S223 PolarHBondContact O-N 3.3Å; F221-S223 VanDerWaalsContact C-N 3.34Å; S223-R227 PolarHBondContact O-N 2.91Å |
| 224 | L | 89.5 | Confident | 88 | Confident | 15 Ų | 15 | 75.4 Ų | 75.4 | 8% | 0.079 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 174.5 | -70.9 | 174.6 | 0 | 0 | 0 | 111.5 | M220 F221 R227 N228 M229 I232 L233 I236 | M220-L224 WeakPolarHBondContact O-CB 3.43Å; M220-L224 WeakPolarHBondContact O-CG 3.39Å; M220-L224 PolarHBondContact O-N 3.15Å; F221-L224 PolarHBondContact O-N 2.91Å; L224-R227 PolarHBondContact O-N 3.05Å; L224-N228 PolarHBondContact O-N 2.93Å; L224-M229 HydrophobicContact CD2-CB 4.46Å; L224-M229 HydrophobicContact CD2-CE 3.63Å; L224-M229 PolarHBondContact O-N 3.49Å; L224-I232 HydrophobicContact CD1-CG2 4.09Å; L224-I232 HydrophobicContact CD2-CB 4.46Å; L224-I232 HydrophobicContact CD2-CD1 4.5Å; L224-I232 HydrophobicContact CD2-CG2 4.14Å; L224-L233 HydrophobicContact CB-CD1 4.02Å; L224-L233 HydrophobicContact CD1-CD1 3.98Å; L224-I236 HydrophobicContact CD1-CD1 3.56Å |
| 225 | L | 89.1 | Confident | 88.7 | Confident | 39 Ų | 39 | 76.3 Ų | 76.3 | 20% | 0.204 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65 | -44.9 | 176.7 | 180 | 66.7 | 0 | 0 | 0 | 112.2 | F221 T222 R227 N228 L233 T254 I258 | F221-L225 WeakPolarHBondContact O-CB 3.49Å; F221-L225 PolarHBondContact O-N 3.31Å; T222-L225 PolarHBondContact O-N 2.84Å; L225-R227 VanDerWaalsContact C-N 3.28Å; L225-R227 PolarHBondContact O-N 3.44Å; L225-N228 WeakPolarHBondContact O-CA 3.29Å; L225-N228 PolarHBondContact O-N 3.19Å; L225-L233 HydrophobicContact CB-CD2 4.4Å; L225-T254 HydrophobicContact CD2-CG2 4.13Å; L225-I258 HydrophobicContact CB-CD1 4.04Å; L225-I258 HydrophobicContact CB-CG1 4.46Å; L225-I258 HydrophobicContact CD1-CG1 4.4Å; L225-I258 HydrophobicContact CD2-CD1 3.95Å; L225-I258 HydrophobicContact CD2-CG1 3.85Å; L225-I258 HydrophobicContact CG-CD1 4.48Å; L225-I258 HydrophobicContact CG-CG1 4.46Å |
| 226 | F | 85.4 | Confident | 89.3 | Confident | 157 Ų | 157 | 74.4 Ų | 74.4 | 69% | 0.689 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.2 | -37.4 | 179.3 | -174 | -113.7 | 0 | 0 | 0 | 111.9 | D206 T222 N228 | D206-F226 HydrophobicContact CB-CD1 4.45Å; D206-F226 HydrophobicContact CB-CE1 3.87Å; T222-F226 WeakPolarHBondContact O-CB 3.23Å; T222-F226 PolarHBondContact O-N 3.49Å; F226-N228 PolarHBondContact O-N 2.86Å |
| 227 | R | 83.8 | Confident | 89.7 | Confident | 93 Ų | 93 | 65.6 Ų | 65.6 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 2.5 | 172 | -71.6 | 175.6 | 172.6 | -179 | -0.8 | 114.3 | D206 S223 L224 L225 M229 | D206-R227 PolarHBondContact O-NE 3.4Å; D206-R227 PolarHBondContact O-NH2 3.03Å; D206-R227 WeakPolarHBondContact OD1-CG 3.43Å; D206-R227 IonicContact OD1-NE 2.79Å; D206-R227 PolarHBondContact OD1-NE 2.77Å; S223-R227 PolarHBondContact O-N 2.91Å; L224-R227 PolarHBondContact O-N 3.05Å; L225-R227 VanDerWaalsContact C-N 3.28Å; L225-R227 PolarHBondContact O-N 3.44Å; R227-M229 HydrophobicContact CB-CE 3.8Å; R227-M229 HydrophobicContact CB-CG 4.1Å; R227-M229 HydrophobicContact CG-CE 4.47Å; R227-M229 PolarHBondContact O-N 3.15Å |
| 228 | N | 86.9 | Confident | 90.2 | Very high | 115 Ų | 115 | 62.7 Ų | 62.7 | 62% | 0.615 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 27.1 | -177.3 | -164.1 | 38.2 | 0 | 0 | 0 | 114.5 | L224 L225 F226 K230 | L224-N228 PolarHBondContact O-N 2.93Å; L225-N228 WeakPolarHBondContact O-CA 3.29Å; L225-N228 PolarHBondContact O-N 3.19Å; F226-N228 PolarHBondContact O-N 2.86Å; N228-K230 PolarHBondContact O-N 2.97Å |
| 229 | M | 87.9 | Confident | 90.6 | Very high | 69 Ų | 69 | 67.3 Ų | 67.3 | 34% | 0.34 | 36% | 0.361 | S | S | . | . | trans | -85.6 | 57.4 | -177.4 | -65.3 | -167.2 | -69 | 0 | 0 | 111.8 | L224 R227 G231 I232 L233 | L224-M229 HydrophobicContact CD2-CB 4.46Å; L224-M229 HydrophobicContact CD2-CE 3.63Å; L224-M229 PolarHBondContact O-N 3.49Å; R227-M229 HydrophobicContact CB-CE 3.8Å; R227-M229 HydrophobicContact CB-CG 4.1Å; R227-M229 HydrophobicContact CG-CE 4.47Å; R227-M229 PolarHBondContact O-N 3.15Å; M229-G231 VanDerWaalsContact C-N 3.27Å; M229-G231 PolarHBondContact O-N 2.98Å; M229-I232 HydrophobicContact CB-CD1 4.16Å; M229-I232 HydrophobicContact CB-CG1 4.48Å; M229-I232 HydrophobicContact CE-CD1 4.47Å; M229-I232 PolarHBondContact O-N 3.35Å; M229-I232 HydrophobicContact SD-CD1 3.92Å; M229-L233 PolarHBondContact O-N 3.07Å | ||
| 230 | K | 89.9 | Confident | 90.7 | Very high | 92 Ų | 92 | 66.5 Ų | 66.5 | 40% | 0.4 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62 | -27.7 | -173.3 | -63 | -161.8 | -177.8 | -165.4 | 0 | 114.5 | N228 L233 T234 E261 | N228-K230 PolarHBondContact O-N 2.97Å; K230-L233 VanDerWaalsContact O-CB 3.27Å; K230-L233 WeakPolarHBondContact O-CB 3.33Å; K230-L233 PolarHBondContact O-N 2.61Å; K230-T234 PolarHBondContact O-N 3.28Å; K230-T234 PolarHBondContact O-OG1 2.88Å; K230-E261 IonicContact NZ-OE2 2.87Å; K230-E261 PolarHBondContact NZ-OE2 3.25Å |
| 231 | G | 90.9 | Very high | 90.9 | Very high | 42 Ų | 42 | 62.6 Ų | 62.6 | 43% | 0.433 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.9 | -51.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M229 L233 T234 D235 | M229-G231 VanDerWaalsContact C-N 3.27Å; M229-G231 PolarHBondContact O-N 2.98Å; G231-L233 PolarHBondContact O-N 2.96Å; G231-T234 WeakPolarHBondContact CA-OG1 3.08Å; G231-T234 PolarHBondContact O-N 2.89Å; G231-T234 VanDerWaalsContact O-N 3.08Å; G231-T234 PolarHBondContact O-OG1 2.91Å; G231-D235 PolarHBondContact O-N 2.86Å |
| 232 | I | 92.4 | Very high | 91 | Very high | 77 Ų | 77 | 65.4 Ų | 65.4 | 40% | 0.395 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58 | -35.1 | 175.2 | -54.1 | 178.5 | 0 | 0 | 0 | 110.5 | L224 M229 D235 I236 | L224-I232 HydrophobicContact CD1-CG2 4.09Å; L224-I232 HydrophobicContact CD2-CB 4.46Å; L224-I232 HydrophobicContact CD2-CD1 4.5Å; L224-I232 HydrophobicContact CD2-CG2 4.14Å; M229-I232 HydrophobicContact CB-CD1 4.16Å; M229-I232 HydrophobicContact CB-CG1 4.48Å; M229-I232 HydrophobicContact CE-CD1 4.47Å; M229-I232 PolarHBondContact O-N 3.35Å; M229-I232 HydrophobicContact SD-CD1 3.92Å; I232-D235 PolarHBondContact O-N 3.29Å; I232-I236 HydrophobicContact CG2-CD1 3.95Å; I232-I236 HydrophobicContact CG2-CG1 4.5Å; I232-I236 WeakPolarHBondContact O-CB 3.37Å; I232-I236 VanDerWaalsContact O-CG1 3.26Å; I232-I236 WeakPolarHBondContact O-CG1 3.32Å; I232-I236 PolarHBondContact O-N 3.37Å |
| 233 | L | 93.7 | Very high | 91.2 | Very high | 9 Ų | 9 | 68.3 Ų | 68.3 | 5% | 0.047 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.8 | -45.2 | 177.7 | -152.7 | 57.1 | 0 | 0 | 0 | 111.6 | F221 L224 L225 M229 K230 G231 L237 I258 | F221-L233 HydrophobicContact CB-CD1 4.38Å; F221-L233 HydrophobicContact CD1-CD1 3.51Å; F221-L233 HydrophobicContact CD1-CG 4.48Å; F221-L233 HydrophobicContact CE1-CD1 4.02Å; F221-L233 HydrophobicContact CG-CD1 4.13Å; L224-L233 HydrophobicContact CB-CD1 4.02Å; L224-L233 HydrophobicContact CD1-CD1 3.98Å; L225-L233 HydrophobicContact CB-CD2 4.4Å; M229-L233 PolarHBondContact O-N 3.07Å; K230-L233 VanDerWaalsContact O-CB 3.27Å; K230-L233 WeakPolarHBondContact O-CB 3.33Å; K230-L233 PolarHBondContact O-N 2.61Å; G231-L233 PolarHBondContact O-N 2.96Å; L233-L237 WeakPolarHBondContact O-CB 3.2Å; L233-L237 WeakPolarHBondContact O-CG 3.49Å; L233-L237 PolarHBondContact O-N 2.88Å; L233-I258 HydrophobicContact CD1-CG2 4.07Å; L233-I258 HydrophobicContact CD2-CB 4.37Å; L233-I258 HydrophobicContact CD2-CD1 4.17Å; L233-I258 HydrophobicContact CD2-CG1 4.06Å; L233-I258 HydrophobicContact CD2-CG2 3.45Å; L233-I258 VanDerWaalsContact CD2-CG2 3.45Å; L233-I258 HydrophobicContact CG-CG2 3.57Å |
| 234 | T | 93.8 | Very high | 91.5 | Very high | 55 Ų | 55 | 70.7 Ų | 70.7 | 34% | 0.337 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.8 | -34.2 | 173.1 | 49.8 | 0 | 0 | 0 | 0 | 112.5 | K230 G231 L237 A238 D262 | K230-T234 PolarHBondContact O-N 3.28Å; K230-T234 PolarHBondContact O-OG1 2.88Å; G231-T234 WeakPolarHBondContact CA-OG1 3.08Å; G231-T234 PolarHBondContact O-N 2.89Å; G231-T234 VanDerWaalsContact O-N 3.08Å; G231-T234 PolarHBondContact O-OG1 2.91Å; T234-L237 PolarHBondContact O-N 2.9Å; T234-A238 VanDerWaalsContact O-CB 3.29Å; T234-A238 WeakPolarHBondContact O-CB 3.25Å; T234-A238 PolarHBondContact O-N 2.67Å; T234-D262 HydrophobicContact CG2-CB 4.21Å |
| 235 | D | 94.1 | Very high | 91.6 | Very high | 99 Ų | 99 | 70 Ų | 70 | 53% | 0.529 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.9 | -45 | 177.2 | -60.7 | -27.6 | 0 | 0 | 0 | 111.1 | G231 I232 A238 L239 | G231-D235 PolarHBondContact O-N 2.86Å; I232-D235 PolarHBondContact O-N 3.29Å; D235-A238 PolarHBondContact O-N 2.77Å; D235-L239 WeakPolarHBondContact O-CG 3.4Å; D235-L239 PolarHBondContact O-N 3.39Å |
| 236 | I | 94.6 | Very high | 91.8 | Very high | 55 Ų | 55 | 69.1 Ų | 69.1 | 28% | 0.282 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 173.3 | -69.4 | 165.5 | 0 | 0 | 0 | 110.5 | F221 L224 I232 A238 L239 L240 | F221-I236 HydrophobicContact CE1-CG2 4.37Å; F221-I236 HydrophobicContact CE2-CG2 4.24Å; F221-I236 HydrophobicContact CZ-CG2 3.65Å; L224-I236 HydrophobicContact CD1-CD1 3.56Å; I232-I236 HydrophobicContact CG2-CD1 3.95Å; I232-I236 HydrophobicContact CG2-CG1 4.5Å; I232-I236 WeakPolarHBondContact O-CB 3.37Å; I232-I236 VanDerWaalsContact O-CG1 3.26Å; I232-I236 WeakPolarHBondContact O-CG1 3.32Å; I232-I236 PolarHBondContact O-N 3.37Å; I236-A238 VanDerWaalsContact C-N 3.3Å; I236-A238 PolarHBondContact O-N 3.04Å; I236-L239 PolarHBondContact O-N 3.31Å; I236-L240 HydrophobicContact CG2-CD1 4.19Å; I236-L240 WeakPolarHBondContact O-CG 3.33Å; I236-L240 PolarHBondContact O-N 3.27Å; I236-L240 VanDerWaalsContact O-N 3.11Å |
| 237 | L | 94 | Very high | 92.2 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.8 | -36.5 | 176.5 | -71.1 | 175.1 | 0 | 0 | 0 | 112.2 | F221 L233 T234 L240 L245 I258 I259 D262 A265 R268 | F221-L237 HydrophobicContact CE1-CD2 3.88Å; F221-L237 HydrophobicContact CE1-CG 4.33Å; F221-L237 HydrophobicContact CZ-CD2 4.47Å; L233-L237 WeakPolarHBondContact O-CB 3.2Å; L233-L237 WeakPolarHBondContact O-CG 3.49Å; L233-L237 PolarHBondContact O-N 2.88Å; T234-L237 PolarHBondContact O-N 2.9Å; L237-L240 HydrophobicContact CD2-CD1 4.27Å; L237-L240 PolarHBondContact O-N 3.39Å; L237-L245 HydrophobicContact CD2-CD1 3.69Å; L237-I258 HydrophobicContact CD1-CG2 4.19Å; L237-I259 HydrophobicContact CD1-CG1 4.45Å; L237-I259 HydrophobicContact CD2-CD1 4.39Å; L237-I259 HydrophobicContact CD2-CG1 3.61Å; L237-D262 HydrophobicContact CD1-CB 3.85Å; L237-A265 HydrophobicContact CB-CB 3.97Å; L237-A265 HydrophobicContact CD1-CB 4.02Å; L237-A265 HydrophobicContact CG-CB 4.43Å; L237-R268 PolarHBondContact O-NH2 2.91Å |
| 238 | A | 93.6 | Very high | 92.6 | Very high | 70 Ų | 70 | 61.4 Ų | 61.4 | 58% | 0.579 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -67.3 | -32.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T234 D235 I236 | T234-A238 VanDerWaalsContact O-CB 3.29Å; T234-A238 WeakPolarHBondContact O-CB 3.25Å; T234-A238 PolarHBondContact O-N 2.67Å; D235-A238 PolarHBondContact O-N 2.77Å; I236-A238 VanDerWaalsContact C-N 3.3Å; I236-A238 PolarHBondContact O-N 3.04Å |
| 239 | L | 94.3 | Very high | 92.9 | Very high | 155 Ų | 155 | 57 Ų | 57 | 81% | 0.812 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -79 | -20.6 | 176.2 | -68.5 | 169.5 | 0 | 0 | 0 | 113.7 | D235 I236 | D235-L239 WeakPolarHBondContact O-CG 3.4Å; D235-L239 PolarHBondContact O-N 3.39Å; I236-L239 PolarHBondContact O-N 3.31Å |
| 240 | L | 93.6 | Very high | 93.1 | Very high | 40 Ų | 40 | 59.2 Ų | 59.2 | 21% | 0.209 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -74.3 | 132.2 | 178 | -77.6 | 165.4 | 0 | 0 | 0 | 112.2 | F221 I236 L237 D244 R268 | F221-L240 HydrophobicContact CZ-CD1 4.05Å; I236-L240 HydrophobicContact CG2-CD1 4.19Å; I236-L240 WeakPolarHBondContact O-CG 3.33Å; I236-L240 PolarHBondContact O-N 3.27Å; I236-L240 VanDerWaalsContact O-N 3.11Å; L237-L240 HydrophobicContact CD2-CD1 4.27Å; L237-L240 PolarHBondContact O-N 3.39Å; L240-D244 HydrophobicContact CD2-CB 3.77Å; L240-R268 PolarHBondContact O-NH1 3.11Å |
| 241 | G | 93.7 | Very high | 93.2 | Very high | 30 Ų | 30 | 59.1 Ų | 59.1 | 31% | 0.309 | 35% | 0.35 | S | S | . | . | trans | -65.6 | 159.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L243 D244 L245 | G241-L243 VanDerWaalsContact C-N 3.29Å; G241-L243 PolarHBondContact O-N 3.42Å; G241-D244 WeakPolarHBondContact CA-OD2 3.3Å; G241-D244 PolarHBondContact N-OD2 3.3Å; G241-D244 PolarHBondContact O-N 3.13Å; G241-D244 VanDerWaalsContact O-N 3.15Å; G241-L245 VanDerWaalsContact O-CB 3.31Å; G241-L245 WeakPolarHBondContact O-CB 3.37Å; G241-L245 PolarHBondContact O-N 3.45Å | ||
| 242 | D | 92.9 | Very high | 93.2 | Very high | 75 Ų | 75 | 58.7 Ų | 58.7 | 40% | 0.401 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.6 | -28.6 | -171.3 | -76.6 | -14.5 | 0 | 0 | 0 | 113.5 | I246 R268 A272 | D242-I246 WeakPolarHBondContact O-CG1 3.42Å; D242-I246 PolarHBondContact O-N 3.2Å; D242-R268 IonicContact OD1-CZ 2.67Å; D242-R268 IonicContact OD1-NH1 2.77Å; D242-R268 PolarHBondContact OD1-NH1 3.23Å; D242-A272 HydrophobicContact CB-CB 3.81Å |
| 243 | L | 92.6 | Very high | 93.3 | Very high | 111 Ų | 111 | 64.3 Ų | 64.3 | 58% | 0.581 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -72.6 | -46.6 | 170.5 | -64.3 | 179 | 0 | 0 | 0 | 111.6 | G241 L245 I246 S247 L276 | G241-L243 VanDerWaalsContact C-N 3.29Å; G241-L243 PolarHBondContact O-N 3.42Å; L243-L245 PolarHBondContact O-N 3.1Å; L243-I246 WeakPolarHBondContact O-CB 3.37Å; L243-I246 PolarHBondContact O-N 2.77Å; L243-I246 VanDerWaalsContact O-N 3.07Å; L243-S247 PolarHBondContact O-N 3.29Å; L243-S247 PolarHBondContact O-OG 3.14Å; L243-L276 HydrophobicContact CD2-CD1 3.92Å; L243-L276 HydrophobicContact CD2-CD2 4.13Å; L243-L276 HydrophobicContact CD2-CG 4.39Å |
| 244 | D | 93.9 | Very high | 93.2 | Very high | 86 Ų | 86 | 66.6 Ų | 66.6 | 46% | 0.46 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.2 | -36.4 | 179.1 | -48.6 | -56.5 | 0 | 0 | 0 | 111.2 | L240 G241 I246 S247 C248 | L240-D244 HydrophobicContact CD2-CB 3.77Å; G241-D244 WeakPolarHBondContact CA-OD2 3.3Å; G241-D244 PolarHBondContact N-OD2 3.3Å; G241-D244 PolarHBondContact O-N 3.13Å; G241-D244 VanDerWaalsContact O-N 3.15Å; D244-I246 VanDerWaalsContact C-N 3.33Å; D244-I246 PolarHBondContact O-N 3.11Å; D244-S247 WeakPolarHBondContact O-CB 3.5Å; D244-S247 PolarHBondContact O-N 2.91Å; D244-C248 WeakPolarHBondContact O-CB 3.35Å; D244-C248 PolarHBondContact O-N 3.31Å; D244-C248 PolarHBondContact O-SG 3.12Å |
| 245 | L | 93.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.6 | -32.8 | 177.8 | -174.1 | 60.4 | 0 | 0 | 0 | 112.6 | L237 G241 L243 K249 I259 A265 R268 C269 | L237-L245 HydrophobicContact CD2-CD1 3.69Å; G241-L245 VanDerWaalsContact O-CB 3.31Å; G241-L245 WeakPolarHBondContact O-CB 3.37Å; G241-L245 PolarHBondContact O-N 3.45Å; L243-L245 PolarHBondContact O-N 3.1Å; L245-K249 WeakPolarHBondContact O-CB 3.38Å; L245-K249 PolarHBondContact O-N 2.82Å; L245-I259 HydrophobicContact CD1-CD1 4.16Å; L245-I259 HydrophobicContact CD1-CG1 4.08Å; L245-I259 HydrophobicContact CD1-CG2 4.03Å; L245-A265 HydrophobicContact CD1-CB 4.3Å; L245-A265 HydrophobicContact CD2-CB 4.28Å; L245-R268 HydrophobicContact CD2-CB 4.07Å; L245-C269 HydrophobicContact CD2-CB 3.89Å; L245-C269 HydrophobicContact CG-CB 3.92Å |
| 246 | I | 92.9 | Very high | 93.2 | Very high | 20 Ų | 20 | 66.1 Ų | 66.1 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.3 | -44.9 | 170.3 | -63.9 | 172.8 | 0 | 0 | 0 | 110.1 | D242 L243 D244 C248 K249 N250 A272 E273 L276 | D242-I246 WeakPolarHBondContact O-CG1 3.42Å; D242-I246 PolarHBondContact O-N 3.2Å; L243-I246 WeakPolarHBondContact O-CB 3.37Å; L243-I246 PolarHBondContact O-N 2.77Å; L243-I246 VanDerWaalsContact O-N 3.07Å; D244-I246 VanDerWaalsContact C-N 3.33Å; D244-I246 PolarHBondContact O-N 3.11Å; I246-C248 PolarHBondContact O-N 3.04Å; I246-K249 WeakPolarHBondContact O-CB 3.44Å; I246-K249 PolarHBondContact O-N 3.35Å; I246-N250 PolarHBondContact O-N 3.4Å; I246-N250 PolarHBondContact O-ND2 3.08Å; I246-A272 HydrophobicContact CD1-CB 3.74Å; I246-A272 HydrophobicContact CG1-CB 4.34Å; I246-E273 HydrophobicContact CD1-CG 3.83Å; I246-E273 HydrophobicContact CG1-CG 3.9Å; I246-E273 HydrophobicContact CG2-CG 4.34Å; I246-L276 HydrophobicContact CD1-CD1 3.62Å |
| 247 | S | 93.9 | Very high | 93.2 | Very high | 72 Ų | 72 | 69.2 Ų | 69.2 | 50% | 0.503 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.5 | -49.1 | 176 | -62 | 0 | 0 | 0 | 0 | 111.4 | L243 D244 K249 N250 V251 | L243-S247 PolarHBondContact O-N 3.29Å; L243-S247 PolarHBondContact O-OG 3.14Å; D244-S247 WeakPolarHBondContact O-CB 3.5Å; D244-S247 PolarHBondContact O-N 2.91Å; S247-K249 VanDerWaalsContact C-N 3.27Å; S247-K249 PolarHBondContact O-N 3.3Å; S247-N250 WeakPolarHBondContact O-CA 3.43Å; S247-N250 WeakPolarHBondContact O-CB 3.48Å; S247-N250 PolarHBondContact O-N 2.96Å; S247-V251 WeakPolarHBondContact O-CG2 3.42Å; S247-V251 PolarHBondContact O-N 3.44Å |
| 248 | C | 92.3 | Very high | 93.2 | Very high | 17 Ų | 17 | 69.4 Ų | 69.4 | 12% | 0.115 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.3 | -35.1 | 176.4 | -69 | 0 | 0 | 0 | 0 | 112.9 | D244 I246 N250 V251 W255 I259 | D244-C248 WeakPolarHBondContact O-CB 3.35Å; D244-C248 PolarHBondContact O-N 3.31Å; D244-C248 PolarHBondContact O-SG 3.12Å; I246-C248 PolarHBondContact O-N 3.04Å; C248-N250 PolarHBondContact O-N 2.97Å; C248-V251 PolarHBondContact O-N 3.38Å; C248-W255 HydrophobicContact CB-CE3 3.93Å; C248-W255 HydrophobicContact CB-CZ3 4.24Å; C248-W255 VanDerWaalsContact O-CB 3.29Å; C248-W255 WeakPolarHBondContact O-CB 3.42Å; C248-I259 HydrophobicContact CB-CD1 3.8Å |
| 249 | K | 92.6 | Very high | 93.1 | Very high | 23 Ų | 23 | 66.1 Ų | 66.1 | 10% | 0.1 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.3 | -22.3 | 174.6 | -179.7 | 178.2 | 172 | -170.3 | 0 | 113.2 | L245 I246 S247 K256 I259 C269 E273 | L245-K249 WeakPolarHBondContact O-CB 3.38Å; L245-K249 PolarHBondContact O-N 2.82Å; I246-K249 WeakPolarHBondContact O-CB 3.44Å; I246-K249 PolarHBondContact O-N 3.35Å; S247-K249 VanDerWaalsContact C-N 3.27Å; S247-K249 PolarHBondContact O-N 3.3Å; K249-K256 HydrophobicContact CG-CB 4.32Å; K249-K256 HydrophobicContact CG-CD 4.2Å; K249-K256 HydrophobicContact CG-CG 3.96Å; K249-K256 WeakPolarHBondContact O-CB 3.14Å; K249-I259 HydrophobicContact CB-CD1 3.9Å; K249-C269 WeakPolarHBondContact CD-SG 3.29Å; K249-E273 WeakPolarHBondContact CE-OE1 3.49Å; K249-E273 IonicContact NZ-OE1 2.67Å; K249-E273 PolarHBondContact NZ-OE1 3.49Å; K249-E273 IonicContact NZ-OE2 3.54Å; K249-E273 PolarHBondContact NZ-OE2 2.83Å |
| 250 | N | 91.4 | Very high | 93 | Very high | 114 Ų | 114 | 62.2 Ų | 62.2 | 61% | 0.61 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -93.7 | -23.1 | 177.6 | -63.9 | -30.6 | 0 | 0 | 0 | 113 | I246 S247 C248 S252 | I246-N250 PolarHBondContact O-N 3.4Å; I246-N250 PolarHBondContact O-ND2 3.08Å; S247-N250 WeakPolarHBondContact O-CA 3.43Å; S247-N250 WeakPolarHBondContact O-CB 3.48Å; S247-N250 PolarHBondContact O-N 2.96Å; C248-N250 PolarHBondContact O-N 2.97Å; N250-S252 PolarHBondContact O-N 3.4Å |
| 251 | V | 92 | Very high | 92.8 | Very high | 90 Ų | 90 | 64.2 Ų | 64.2 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -52.1 | -46.4 | 178 | 170 | 0 | 0 | 0 | 0 | 112.9 | S247 C248 W255 | S247-V251 WeakPolarHBondContact O-CG2 3.42Å; S247-V251 PolarHBondContact O-N 3.44Å; C248-V251 PolarHBondContact O-N 3.38Å; V251-W255 HydrophobicContact CB-CD2 4.05Å; V251-W255 HydrophobicContact CB-CE3 3.81Å; V251-W255 HydrophobicContact CB-CZ3 4.22Å; V251-W255 HydrophobicContact CG1-CD2 3.79Å; V251-W255 HydrophobicContact CG1-CE3 3.87Å; V251-W255 HydrophobicContact CG1-CG 4.39Å; V251-W255 HydrophobicContact CG1-CH2 4.2Å; V251-W255 HydrophobicContact CG1-CZ2 4.11Å; V251-W255 HydrophobicContact CG1-CZ3 4.08Å; V251-W255 HydrophobicContact CG2-CE3 4.13Å; V251-W255 HydrophobicContact CG2-CZ3 4.12Å |
| 252 | S | 92.3 | Very high | 92.8 | Very high | 34 Ų | 34 | 64 Ų | 64 | 24% | 0.238 | 33% | 0.334 | C | S | . | . | trans | -158.2 | 161.8 | 176.2 | 79.8 | 0 | 0 | 0 | 0 | 114.4 | N250 T254 W255 K256 | N250-S252 PolarHBondContact O-N 3.4Å; S252-T254 PolarHBondContact O-N 2.81Å; S252-T254 PolarHBondContact OG-N 2.91Å; S252-W255 PolarHBondContact O-N 3.39Å; S252-W255 PolarHBondContact OG-N 2.95Å; S252-K256 WeakPolarHBondContact O-CB 3.21Å; S252-K256 PolarHBondContact O-N 3.29Å | ||
| 253 | K | 93.3 | Very high | 92.7 | Very high | 195 Ų | 195 | 65.1 Ų | 65.1 | 85% | 0.848 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.4 | -32.6 | 172.1 | -63.7 | 178 | -177 | 174.4 | 0 | 112.1 | K257 | K253-K257 PolarHBondContact O-N 3.03Å; K253-K257 VanDerWaalsContact O-N 3.08Å |
| 254 | T | 92.9 | Very high | 92.7 | Very high | 57 Ų | 57 | 62.1 Ų | 62.1 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -72.5 | -44 | 177.5 | -48.1 | 0 | 0 | 0 | 0 | 111.3 | T222 L225 S252 K257 I258 | T222-T254 WeakPolarHBondContact OG1-CG2 3.34Å; L225-T254 HydrophobicContact CD2-CG2 4.13Å; S252-T254 PolarHBondContact O-N 2.81Å; S252-T254 PolarHBondContact OG-N 2.91Å; T254-K257 WeakPolarHBondContact O-CB 3.47Å; T254-K257 PolarHBondContact O-N 3.39Å; T254-K257 VanDerWaalsContact O-N 3.14Å; T254-I258 HydrophobicContact CG2-CD1 4.3Å; T254-I258 WeakPolarHBondContact O-CG1 3.4Å; T254-I258 PolarHBondContact O-N 3.4Å |
| 255 | W | 94.6 | Very high | 92.7 | Very high | 40 Ų | 40 | 58 Ų | 58 | 15% | 0.152 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 177.5 | -68.6 | 32.2 | 0 | 0 | 0 | 110.9 | D219 F221 C248 V251 S252 K257 I258 I259 | D219-W255 PolarHBondContact OD1-NE1 3.34Å; D219-W255 PolarHBondContact OD2-NE1 3.46Å; F221-W255 HydrophobicContact CB-CD2 4.02Å; F221-W255 HydrophobicContact CB-CG 4.16Å; F221-W255 HydrophobicContact CB-CZ2 4.13Å; F221-W255 HydrophobicContact CD2-CD2 4.02Å; F221-W255 AromaticContact CD2-CE2 3.82Å; F221-W255 AromaticContact CD2-CE3 3.94Å; F221-W255 HydrophobicContact CD2-CE3 3.94Å; F221-W255 AromaticContact CD2-CH2 3.52Å; F221-W255 HydrophobicContact CD2-CH2 3.52Å; F221-W255 AromaticContact CD2-CZ2 3.58Å; F221-W255 HydrophobicContact CD2-CZ2 3.58Å; F221-W255 AromaticContact CD2-CZ3 3.69Å; F221-W255 HydrophobicContact CD2-CZ3 3.69Å; F221-W255 HydrophobicContact CE2-CE3 4.17Å; F221-W255 AromaticContact CE2-CH2 3.86Å; F221-W255 HydrophobicContact CE2-CH2 3.86Å; F221-W255 HydrophobicContact CE2-CZ2 4.39Å; F221-W255 AromaticContact CE2-CZ3 3.73Å; F221-W255 HydrophobicContact CE2-CZ3 3.73Å; F221-W255 AromaticContact CG-CD2 3.96Å; F221-W255 HydrophobicContact CG-CD2 3.96Å; F221-W255 AromaticContact CG-CE2 3.92Å; F221-W255 HydrophobicContact CG-CE3 4.21Å; F221-W255 HydrophobicContact CG-CG 4.41Å; F221-W255 HydrophobicContact CG-CH2 4.4Å; F221-W255 HydrophobicContact CG-CZ2 4.15Å; F221-W255 HydrophobicContact CG-CZ3 4.42Å; F221-W255 HydrophobicContact CZ-CZ3 4.48Å; C248-W255 HydrophobicContact CB-CE3 3.93Å; C248-W255 HydrophobicContact CB-CZ3 4.24Å; C248-W255 VanDerWaalsContact O-CB 3.29Å; C248-W255 WeakPolarHBondContact O-CB 3.42Å; V251-W255 HydrophobicContact CB-CD2 4.05Å; V251-W255 HydrophobicContact CB-CE3 3.81Å; V251-W255 HydrophobicContact CB-CZ3 4.22Å; V251-W255 HydrophobicContact CG1-CD2 3.79Å; V251-W255 HydrophobicContact CG1-CE3 3.87Å; V251-W255 HydrophobicContact CG1-CG 4.39Å; V251-W255 HydrophobicContact CG1-CH2 4.2Å; V251-W255 HydrophobicContact CG1-CZ2 4.11Å; V251-W255 HydrophobicContact CG1-CZ3 4.08Å; V251-W255 HydrophobicContact CG2-CE3 4.13Å; V251-W255 HydrophobicContact CG2-CZ3 4.12Å; S252-W255 PolarHBondContact O-N 3.39Å; S252-W255 PolarHBondContact OG-N 2.95Å; W255-K257 VanDerWaalsContact C-N 3.3Å; W255-K257 PolarHBondContact O-N 3.01Å; W255-I258 WeakPolarHBondContact O-CB 3.38Å; W255-I258 PolarHBondContact O-N 2.91Å; W255-I259 WeakPolarHBondContact O-CG1 3.21Å; W255-I259 PolarHBondContact O-N 3.05Å |
| 256 | K | 93.6 | Very high | 92.7 | Very high | 104 Ų | 104 | 58.4 Ų | 58.4 | 45% | 0.452 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57 | -40.6 | 170.2 | -174.6 | 160.3 | -177.7 | 168.1 | 0 | 112.8 | K249 S252 C260 | K249-K256 HydrophobicContact CG-CB 4.32Å; K249-K256 HydrophobicContact CG-CD 4.2Å; K249-K256 HydrophobicContact CG-CG 3.96Å; K249-K256 WeakPolarHBondContact O-CB 3.14Å; S252-K256 WeakPolarHBondContact O-CB 3.21Å; S252-K256 PolarHBondContact O-N 3.29Å; K256-C260 WeakPolarHBondContact O-CB 3.07Å; K256-C260 PolarHBondContact O-N 3.43Å; K256-C260 VanDerWaalsContact O-N 3.08Å; K256-C260 PolarHBondContact O-SG 2.69Å |
| 257 | K | 94 | Very high | 92.7 | Very high | 119 Ų | 119 | 64.5 Ų | 64.5 | 52% | 0.517 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 175.1 | -176.1 | 174.6 | -177.4 | -71.6 | 0 | 111.3 | K253 T254 W255 C260 E261 | K253-K257 PolarHBondContact O-N 3.03Å; K253-K257 VanDerWaalsContact O-N 3.08Å; T254-K257 WeakPolarHBondContact O-CB 3.47Å; T254-K257 PolarHBondContact O-N 3.39Å; T254-K257 VanDerWaalsContact O-N 3.14Å; W255-K257 VanDerWaalsContact C-N 3.3Å; W255-K257 PolarHBondContact O-N 3.01Å; K257-C260 PolarHBondContact O-N 3.08Å; K257-E261 IonicContact NZ-OE1 2.7Å; K257-E261 PolarHBondContact NZ-OE1 2.84Å; K257-E261 WeakPolarHBondContact O-CG 3.44Å; K257-E261 PolarHBondContact O-N 3.04Å |
| 258 | I | 92.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.9 | -51.7 | 175.9 | -71.9 | 164.5 | 0 | 0 | 0 | 111.3 | F221 L225 L233 L237 T254 W255 C260 E261 D262 | F221-I258 HydrophobicContact CB-CD1 3.89Å; F221-I258 HydrophobicContact CD1-CD1 4.39Å; F221-I258 HydrophobicContact CD1-CG2 4.11Å; L225-I258 HydrophobicContact CB-CD1 4.04Å; L225-I258 HydrophobicContact CB-CG1 4.46Å; L225-I258 HydrophobicContact CD1-CG1 4.4Å; L225-I258 HydrophobicContact CD2-CD1 3.95Å; L225-I258 HydrophobicContact CD2-CG1 3.85Å; L225-I258 HydrophobicContact CG-CD1 4.48Å; L225-I258 HydrophobicContact CG-CG1 4.46Å; L233-I258 HydrophobicContact CD1-CG2 4.07Å; L233-I258 HydrophobicContact CD2-CB 4.37Å; L233-I258 HydrophobicContact CD2-CD1 4.17Å; L233-I258 HydrophobicContact CD2-CG1 4.06Å; L233-I258 HydrophobicContact CD2-CG2 3.45Å; L233-I258 VanDerWaalsContact CD2-CG2 3.45Å; L233-I258 HydrophobicContact CG-CG2 3.57Å; L237-I258 HydrophobicContact CD1-CG2 4.19Å; T254-I258 HydrophobicContact CG2-CD1 4.3Å; T254-I258 WeakPolarHBondContact O-CG1 3.4Å; T254-I258 PolarHBondContact O-N 3.4Å; W255-I258 WeakPolarHBondContact O-CB 3.38Å; W255-I258 PolarHBondContact O-N 2.91Å; I258-C260 PolarHBondContact O-N 2.76Å; I258-E261 PolarHBondContact O-N 3.11Å; I258-D262 PolarHBondContact O-N 2.7Å |
| 259 | I | 93.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.8 | -30.4 | 179.9 | -68.8 | 160.8 | 0 | 0 | 0 | 111.5 | L237 L245 C248 K249 W255 A266 C269 | L237-I259 HydrophobicContact CD1-CG1 4.45Å; L237-I259 HydrophobicContact CD2-CD1 4.39Å; L237-I259 HydrophobicContact CD2-CG1 3.61Å; L245-I259 HydrophobicContact CD1-CD1 4.16Å; L245-I259 HydrophobicContact CD1-CG1 4.08Å; L245-I259 HydrophobicContact CD1-CG2 4.03Å; C248-I259 HydrophobicContact CB-CD1 3.8Å; K249-I259 HydrophobicContact CB-CD1 3.9Å; W255-I259 WeakPolarHBondContact O-CG1 3.21Å; W255-I259 PolarHBondContact O-N 3.05Å; I259-A266 WeakPolarHBondContact O-CA 3.41Å; I259-A266 VanDerWaalsContact O-CB 3.32Å; I259-A266 WeakPolarHBondContact O-CB 3.46Å; I259-A266 PolarHBondContact O-N 3.36Å; I259-C269 HydrophobicContact CG2-CB 4.34Å |
| 260 | C | 90.6 | Very high | 92.9 | Very high | 74 Ų | 74 | 68.5 Ų | 68.5 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -80.3 | -18.8 | 174.2 | -74.1 | 0 | 0 | 0 | 0 | 114.5 | K256 K257 I258 | K256-C260 WeakPolarHBondContact O-CB 3.07Å; K256-C260 PolarHBondContact O-N 3.43Å; K256-C260 VanDerWaalsContact O-N 3.08Å; K256-C260 PolarHBondContact O-SG 2.69Å; K257-C260 PolarHBondContact O-N 3.08Å; I258-C260 PolarHBondContact O-N 2.76Å |
| 261 | E | 91 | Very high | 93 | Very high | 82 Ų | 82 | 68.5 Ų | 68.5 | 38% | 0.383 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -79 | -31.2 | 173.7 | -79 | -179.2 | -146.4 | 0 | 0 | 112.1 | K230 K257 I258 S263 | K230-E261 IonicContact NZ-OE2 2.87Å; K230-E261 PolarHBondContact NZ-OE2 3.25Å; K257-E261 IonicContact NZ-OE1 2.7Å; K257-E261 PolarHBondContact NZ-OE1 2.84Å; K257-E261 WeakPolarHBondContact O-CG 3.44Å; K257-E261 PolarHBondContact O-N 3.04Å; I258-E261 PolarHBondContact O-N 3.11Å; E261-S263 PolarHBondContact O-N 3.41Å |
| 262 | D | 92.4 | Very high | 93.1 | Very high | 24 Ų | 24 | 64.8 Ų | 64.8 | 13% | 0.128 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -78.2 | 110.1 | 168 | 177.8 | -18.3 | 0 | 0 | 0 | 110 | T234 L237 I258 A264 A265 A266 | T234-D262 HydrophobicContact CG2-CB 4.21Å; L237-D262 HydrophobicContact CD1-CB 3.85Å; I258-D262 PolarHBondContact O-N 2.7Å; D262-A264 VanDerWaalsContact C-N 3.28Å; D262-A264 PolarHBondContact O-N 2.79Å; D262-A264 WeakPolarHBondContact OD1-CA 3.28Å; D262-A264 WeakPolarHBondContact OD1-CB 3.3Å; D262-A264 PolarHBondContact OD1-N 3.01Å; D262-A265 HydrophobicContact CB-CB 3.89Å; D262-A265 VanDerWaalsContact CG-CB 3.43Å; D262-A265 PolarHBondContact OD1-N 2.89Å; D262-A265 WeakPolarHBondContact OD2-CB 3.2Å; D262-A266 WeakPolarHBondContact O-CB 3.32Å; D262-A266 PolarHBondContact O-N 3.19Å |
| 263 | S | 91.8 | Very high | 93.1 | Very high | 100 Ų | 100 | 66.2 Ų | 66.2 | 70% | 0.699 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -67.5 | -25 | -177.8 | 65.1 | 0 | 0 | 0 | 0 | 114.1 | E261 R267 | E261-S263 PolarHBondContact O-N 3.41Å; S263-R267 WeakPolarHBondContact O-CB 3.38Å; S263-R267 PolarHBondContact O-N 2.76Å |
| 264 | A | 92.5 | Very high | 93.1 | Very high | 47 Ų | 47 | 62.2 Ų | 62.2 | 39% | 0.388 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -82.1 | -47.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D262 R267 R268 | D262-A264 VanDerWaalsContact C-N 3.28Å; D262-A264 PolarHBondContact O-N 2.79Å; D262-A264 WeakPolarHBondContact OD1-CA 3.28Å; D262-A264 WeakPolarHBondContact OD1-CB 3.3Å; D262-A264 PolarHBondContact OD1-N 3.01Å; A264-R267 PolarHBondContact O-N 3.14Å; A264-R268 PolarHBondContact O-N 2.67Å |
| 265 | A | 92.6 | Very high | 93 | Very high | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L237 L245 D262 R267 R268 C269 | L237-A265 HydrophobicContact CB-CB 3.97Å; L237-A265 HydrophobicContact CD1-CB 4.02Å; L237-A265 HydrophobicContact CG-CB 4.43Å; L245-A265 HydrophobicContact CD1-CB 4.3Å; L245-A265 HydrophobicContact CD2-CB 4.28Å; D262-A265 HydrophobicContact CB-CB 3.89Å; D262-A265 VanDerWaalsContact CG-CB 3.43Å; D262-A265 PolarHBondContact OD1-N 2.89Å; D262-A265 WeakPolarHBondContact OD2-CB 3.2Å; A265-R267 PolarHBondContact O-N 3.4Å; A265-R268 PolarHBondContact O-N 3.28Å; A265-C269 VanDerWaalsContact O-CB 3.25Å; A265-C269 WeakPolarHBondContact O-CB 3.37Å; A265-C269 PolarHBondContact O-N 3.13Å |
| 266 | A | 93.5 | Very high | 92.8 | Very high | 7 Ų | 7 | 63.5 Ų | 63.5 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.3 | -36.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I259 D262 R270 | I259-A266 WeakPolarHBondContact O-CA 3.41Å; I259-A266 VanDerWaalsContact O-CB 3.32Å; I259-A266 WeakPolarHBondContact O-CB 3.46Å; I259-A266 PolarHBondContact O-N 3.36Å; D262-A266 WeakPolarHBondContact O-CB 3.32Å; D262-A266 PolarHBondContact O-N 3.19Å; A266-R270 WeakPolarHBondContact O-CG 3.46Å; A266-R270 PolarHBondContact O-N 3.24Å; A266-R270 PolarHBondContact O-NH1 3.3Å |
| 267 | R | 94.1 | Very high | 92.6 | Very high | 148 Ų | 148 | 68.2 Ų | 68.2 | 56% | 0.558 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -70.7 | -51.6 | 177 | -175.3 | 176.9 | 63.7 | -166.2 | -3.4 | 111.5 | S263 A264 A265 C269 R270 Q271 | S263-R267 WeakPolarHBondContact O-CB 3.38Å; S263-R267 PolarHBondContact O-N 2.76Å; A264-R267 PolarHBondContact O-N 3.14Å; A265-R267 PolarHBondContact O-N 3.4Å; R267-C269 VanDerWaalsContact C-N 3.34Å; R267-C269 PolarHBondContact O-N 3.03Å; R267-R270 PolarHBondContact O-N 3.37Å; R267-Q271 WeakPolarHBondContact O-CG 3.24Å; R267-Q271 PolarHBondContact O-N 2.87Å |
| 268 | R | 94.8 | Very high | 92.4 | Very high | 60 Ų | 60 | 67.4 Ų | 67.4 | 23% | 0.226 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.3 | -48.1 | 176.8 | -77.5 | -164.7 | -64.7 | 125.2 | -7.1 | 111.7 | L237 L240 D242 L245 A264 A265 R270 Q271 A272 | L237-R268 PolarHBondContact O-NH2 2.91Å; L240-R268 PolarHBondContact O-NH1 3.11Å; D242-R268 IonicContact OD1-CZ 2.67Å; D242-R268 IonicContact OD1-NH1 2.77Å; D242-R268 PolarHBondContact OD1-NH1 3.23Å; L245-R268 HydrophobicContact CD2-CB 4.07Å; A264-R268 PolarHBondContact O-N 2.67Å; A265-R268 PolarHBondContact O-N 3.28Å; R268-R270 VanDerWaalsContact C-N 3.34Å; R268-R270 PolarHBondContact O-N 3.43Å; R268-Q271 PolarHBondContact O-N 2.89Å; R268-Q271 VanDerWaalsContact O-N 3.08Å; R268-A272 WeakPolarHBondContact O-CB 3.35Å; R268-A272 PolarHBondContact O-N 3.4Å |
| 269 | C | 93.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.3 | -45.1 | 178.3 | -171.6 | 0 | 0 | 0 | 0 | 112.5 | L245 K249 I259 A265 R267 A272 E273 | L245-C269 HydrophobicContact CD2-CB 3.89Å; L245-C269 HydrophobicContact CG-CB 3.92Å; K249-C269 WeakPolarHBondContact CD-SG 3.29Å; I259-C269 HydrophobicContact CG2-CB 4.34Å; A265-C269 VanDerWaalsContact O-CB 3.25Å; A265-C269 WeakPolarHBondContact O-CB 3.37Å; A265-C269 PolarHBondContact O-N 3.13Å; R267-C269 VanDerWaalsContact C-N 3.34Å; R267-C269 PolarHBondContact O-N 3.03Å; C269-A272 PolarHBondContact O-N 3.5Å; C269-E273 WeakPolarHBondContact O-CB 3.22Å; C269-E273 VanDerWaalsContact O-CG 3.32Å; C269-E273 WeakPolarHBondContact O-CG 3.32Å; C269-E273 PolarHBondContact O-N 3.24Å |
| 270 | R | 93.8 | Very high | 91.6 | Very high | 136 Ų | 136 | 77.7 Ų | 77.7 | 51% | 0.513 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 175.5 | -74 | -171.6 | -55.2 | -88.6 | 3.8 | 112.9 | A266 R267 R268 Q274 | A266-R270 WeakPolarHBondContact O-CG 3.46Å; A266-R270 PolarHBondContact O-N 3.24Å; A266-R270 PolarHBondContact O-NH1 3.3Å; R267-R270 PolarHBondContact O-N 3.37Å; R268-R270 VanDerWaalsContact C-N 3.34Å; R268-R270 PolarHBondContact O-N 3.43Å; R270-Q274 WeakPolarHBondContact O-CB 3.32Å; R270-Q274 PolarHBondContact O-N 2.86Å |
| 271 | Q | 94.1 | Very high | 91.1 | Very high | 113 Ų | 113 | 76.9 Ų | 76.9 | 53% | 0.528 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.6 | -40.8 | 177.7 | -70.6 | 174 | -63.6 | 0 | 0 | 111.3 | R267 R268 Q274 A275 | R267-Q271 WeakPolarHBondContact O-CG 3.24Å; R267-Q271 PolarHBondContact O-N 2.87Å; R268-Q271 PolarHBondContact O-N 2.89Å; R268-Q271 VanDerWaalsContact O-N 3.08Å; Q271-Q274 PolarHBondContact O-N 3.49Å; Q271-A275 WeakPolarHBondContact O-CB 3.29Å; Q271-A275 PolarHBondContact O-N 3.24Å |
| 272 | A | 92.6 | Very high | 90.1 | Very high | 12 Ų | 12 | 76.6 Ų | 76.6 | 10% | 0.099 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.9 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D242 I246 R268 C269 Q274 A275 L276 | D242-A272 HydrophobicContact CB-CB 3.81Å; I246-A272 HydrophobicContact CD1-CB 3.74Å; I246-A272 HydrophobicContact CG1-CB 4.34Å; R268-A272 WeakPolarHBondContact O-CB 3.35Å; R268-A272 PolarHBondContact O-N 3.4Å; C269-A272 PolarHBondContact O-N 3.5Å; A272-Q274 VanDerWaalsContact C-N 3.27Å; A272-Q274 PolarHBondContact O-N 3.28Å; A272-A275 PolarHBondContact O-N 2.88Å; A272-L276 WeakPolarHBondContact O-CB 3.43Å; A272-L276 WeakPolarHBondContact O-CG 3.5Å; A272-L276 PolarHBondContact O-N 2.96Å |
| 273 | E | 93.3 | Very high | 88.6 | Confident | 64 Ų | 64 | 83.4 Ų | 83.4 | 30% | 0.299 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.3 | -39.3 | 172 | -76.2 | 175.1 | 153 | 0 | 0 | 111.9 | I246 K249 C269 R277 | I246-E273 HydrophobicContact CD1-CG 3.83Å; I246-E273 HydrophobicContact CG1-CG 3.9Å; I246-E273 HydrophobicContact CG2-CG 4.34Å; K249-E273 WeakPolarHBondContact CE-OE1 3.49Å; K249-E273 IonicContact NZ-OE1 2.67Å; K249-E273 PolarHBondContact NZ-OE1 3.49Å; K249-E273 IonicContact NZ-OE2 3.54Å; K249-E273 PolarHBondContact NZ-OE2 2.83Å; C269-E273 WeakPolarHBondContact O-CB 3.22Å; C269-E273 VanDerWaalsContact O-CG 3.32Å; C269-E273 WeakPolarHBondContact O-CG 3.32Å; C269-E273 PolarHBondContact O-N 3.24Å; E273-R277 WeakPolarHBondContact O-CB 3.26Å; E273-R277 PolarHBondContact O-N 2.96Å |
| 274 | Q | 92.9 | Very high | 87.1 | Confident | 111 Ų | 111 | 88.3 Ų | 88.3 | 52% | 0.519 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.7 | -46.3 | 176.1 | -179.6 | 168.5 | -11.2 | 0 | 0 | 111.5 | R270 Q271 A272 L276 R277 E278 | R270-Q274 WeakPolarHBondContact O-CB 3.32Å; R270-Q274 PolarHBondContact O-N 2.86Å; Q271-Q274 PolarHBondContact O-N 3.49Å; A272-Q274 VanDerWaalsContact C-N 3.27Å; A272-Q274 PolarHBondContact O-N 3.28Å; Q274-L276 VanDerWaalsContact C-N 3.33Å; Q274-L276 PolarHBondContact O-N 3.49Å; Q274-R277 CarbonylContact O-C 3.55Å; Q274-R277 WeakPolarHBondContact O-CB 3.35Å; Q274-R277 PolarHBondContact O-N 2.95Å; Q274-E278 HydrophobicContact CG-CG 4.31Å; Q274-E278 WeakPolarHBondContact CG-OE1 3.32Å; Q274-E278 PolarHBondContact NE2-OE1 3.42Å; Q274-E278 WeakPolarHBondContact O-CB 3.38Å; Q274-E278 WeakPolarHBondContact O-CG 3.07Å; Q274-E278 PolarHBondContact O-N 2.96Å |
| 275 | A | 91.4 | Very high | 85.3 | Confident | 53 Ų | 53 | 90.6 Ų | 90.6 | 44% | 0.438 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.7 | -38 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q271 A272 S279 | Q271-A275 WeakPolarHBondContact O-CB 3.29Å; Q271-A275 PolarHBondContact O-N 3.24Å; A272-A275 PolarHBondContact O-N 2.88Å; A275-S279 WeakPolarHBondContact O-CB 3.29Å; A275-S279 PolarHBondContact O-N 3.01Å; A275-S279 PolarHBondContact O-OG 2.85Å |
| 276 | L | 89.7 | Confident | 83.4 | Confident | 71 Ų | 71 | 96.8 Ų | 96.8 | 37% | 0.372 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.4 | -35.4 | 171.9 | -72.9 | -178.2 | 0 | 0 | 0 | 112.5 | L243 I246 A272 Q274 S279 R280 | L243-L276 HydrophobicContact CD2-CD1 3.92Å; L243-L276 HydrophobicContact CD2-CD2 4.13Å; L243-L276 HydrophobicContact CD2-CG 4.39Å; I246-L276 HydrophobicContact CD1-CD1 3.62Å; A272-L276 WeakPolarHBondContact O-CB 3.43Å; A272-L276 WeakPolarHBondContact O-CG 3.5Å; A272-L276 PolarHBondContact O-N 2.96Å; Q274-L276 VanDerWaalsContact C-N 3.33Å; Q274-L276 PolarHBondContact O-N 3.49Å; L276-S279 WeakPolarHBondContact CA-OG 3.27Å; L276-S279 PolarHBondContact O-OG 3.04Å; L276-R280 VanDerWaalsContact O-CB 3.29Å; L276-R280 WeakPolarHBondContact O-CB 3.42Å; L276-R280 WeakPolarHBondContact O-CD 3.21Å; L276-R280 WeakPolarHBondContact O-CG 3.42Å; L276-R280 PolarHBondContact O-N 2.84Å; L276-R280 VanDerWaalsContact O-N 3.15Å |
| 277 | R | 90.3 | Very high | 81.3 | Confident | 203 Ų | 203 | 100.5 Ų | 100.5 | 77% | 0.766 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.7 | -42.1 | 174.8 | -176 | 175.2 | -180 | 142.4 | 0.9 | 111.7 | E273 Q274 S281 | E273-R277 WeakPolarHBondContact O-CB 3.26Å; E273-R277 PolarHBondContact O-N 2.96Å; Q274-R277 CarbonylContact O-C 3.55Å; Q274-R277 WeakPolarHBondContact O-CB 3.35Å; Q274-R277 PolarHBondContact O-N 2.95Å; R277-S281 WeakPolarHBondContact O-CB 3.45Å; R277-S281 PolarHBondContact O-N 3.3Å; R277-S281 PolarHBondContact O-OG 2.9Å |
| 278 | E | 90.4 | Very high | 79.1 | Confident | 102 Ų | 102 | 98.6 Ų | 98.6 | 48% | 0.477 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.5 | -48.8 | -179.6 | -75 | 170.9 | -176.4 | 0 | 0 | 111.2 | Q274 R280 S281 S282 | Q274-E278 HydrophobicContact CG-CG 4.31Å; Q274-E278 WeakPolarHBondContact CG-OE1 3.32Å; Q274-E278 PolarHBondContact NE2-OE1 3.42Å; Q274-E278 WeakPolarHBondContact O-CB 3.38Å; Q274-E278 WeakPolarHBondContact O-CG 3.07Å; Q274-E278 PolarHBondContact O-N 2.96Å; E278-R280 PolarHBondContact O-N 3.21Å; E278-S281 WeakPolarHBondContact CA-OG 3.29Å; E278-S281 CarbonylContact O-C 3.55Å; E278-S281 WeakPolarHBondContact O-CA 3.47Å; E278-S281 WeakPolarHBondContact O-CB 3.15Å; E278-S281 PolarHBondContact O-N 3.09Å; E278-S281 PolarHBondContact O-OG 3.33Å; E278-S282 PolarHBondContact O-N 2.86Å; E278-S282 PolarHBondContact O-OG 3.17Å |
| 279 | S | 86.1 | Confident | 76.8 | Confident | 56 Ų | 56 | 99.2 Ų | 99.2 | 39% | 0.392 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 175 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | A275 L276 S281 S282 Q283 | A275-S279 WeakPolarHBondContact O-CB 3.29Å; A275-S279 PolarHBondContact O-N 3.01Å; A275-S279 PolarHBondContact O-OG 2.85Å; L276-S279 WeakPolarHBondContact CA-OG 3.27Å; L276-S279 PolarHBondContact O-OG 3.04Å; S279-S281 PolarHBondContact O-N 3.49Å; S279-S282 PolarHBondContact O-N 2.96Å; S279-S282 PolarHBondContact O-OG 3.25Å; S279-S282 VanDerWaalsContact O-OG 3.06Å; S279-Q283 WeakPolarHBondContact O-CB 3.49Å; S279-Q283 PolarHBondContact O-N 3.32Å |
| 280 | R | 82.9 | Confident | 74.9 | Confident | 167 Ų | 167 | 107.4 Ų | 107.4 | 63% | 0.63 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67 | -22.1 | 172.7 | -67.7 | 173.9 | 85.8 | -175.2 | 9.7 | 112.9 | L276 E278 R284 | L276-R280 VanDerWaalsContact O-CB 3.29Å; L276-R280 WeakPolarHBondContact O-CB 3.42Å; L276-R280 WeakPolarHBondContact O-CD 3.21Å; L276-R280 WeakPolarHBondContact O-CG 3.42Å; L276-R280 PolarHBondContact O-N 2.84Å; L276-R280 VanDerWaalsContact O-N 3.15Å; E278-R280 PolarHBondContact O-N 3.21Å; R280-R284 WeakPolarHBondContact O-CB 3.46Å; R280-R284 VanDerWaalsContact O-CG 3.27Å; R280-R284 WeakPolarHBondContact O-CG 3.37Å; R280-R284 PolarHBondContact O-N 3.32Å |
| 281 | S | 78.6 | Confident | 73 | Confident | 57 Ų | 57 | 107.3 Ų | 107.3 | 40% | 0.399 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -84.4 | -36.4 | 175.2 | 78.2 | 0 | 0 | 0 | 0 | 113.1 | R277 E278 S279 R284 N285 | R277-S281 WeakPolarHBondContact O-CB 3.45Å; R277-S281 PolarHBondContact O-N 3.3Å; R277-S281 PolarHBondContact O-OG 2.9Å; E278-S281 WeakPolarHBondContact CA-OG 3.29Å; E278-S281 CarbonylContact O-C 3.55Å; E278-S281 WeakPolarHBondContact O-CA 3.47Å; E278-S281 WeakPolarHBondContact O-CB 3.15Å; E278-S281 PolarHBondContact O-N 3.09Å; E278-S281 PolarHBondContact O-OG 3.33Å; S279-S281 PolarHBondContact O-N 3.49Å; S281-R284 PolarHBondContact O-N 2.78Å; S281-N285 WeakPolarHBondContact O-CB 3.31Å; S281-N285 PolarHBondContact O-N 2.86Å; S281-N285 PolarHBondContact O-ND2 3.23Å |
| 282 | S | 71.4 | Confident | 71 | Confident | 76 Ų | 76 | 113 Ų | 113 | 53% | 0.531 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -70.6 | -40 | 174.5 | 60.2 | 0 | 0 | 0 | 0 | 111.2 | E278 S279 R284 N285 | E278-S282 PolarHBondContact O-N 2.86Å; E278-S282 PolarHBondContact O-OG 3.17Å; S279-S282 PolarHBondContact O-N 2.96Å; S279-S282 PolarHBondContact O-OG 3.25Å; S279-S282 VanDerWaalsContact O-OG 3.06Å; S282-R284 PolarHBondContact O-N 3.08Å; S282-N285 CarbonylContact O-C 3.54Å; S282-N285 PolarHBondContact O-N 3.42Å |
| 283 | Q | 60.9 | Low | 68.4 | Low | 166 Ų | 166 | 120 Ų | 120 | 78% | 0.776 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -27.4 | 172.6 | -165.5 | -178.7 | 23.4 | 0 | 0 | 112.8 | S279 | S279-Q283 WeakPolarHBondContact O-CB 3.49Å; S279-Q283 PolarHBondContact O-N 3.32Å |
| 284 | R | 60.4 | Low | 66.4 | Low | 204 Ų | 204 | 123 Ų | 123 | 77% | 0.77 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -5.5 | 172.6 | -77.2 | 179.9 | 174.3 | -158.5 | -2.8 | 114.1 | R280 S281 S282 P286 | R280-R284 WeakPolarHBondContact O-CB 3.46Å; R280-R284 VanDerWaalsContact O-CG 3.27Å; R280-R284 WeakPolarHBondContact O-CG 3.37Å; R280-R284 PolarHBondContact O-N 3.32Å; S281-R284 PolarHBondContact O-N 2.78Å; S282-R284 PolarHBondContact O-N 3.08Å; R284-P286 VanDerWaalsContact C-CD 3.42Å; R284-P286 WeakPolarHBondContact O-CD 3.36Å |
| 285 | N | 54.9 | Low | 64.5 | Low | 95 Ų | 95 | 120.6 Ų | 120.6 | 51% | 0.508 | 66% | 0.664 | S | S | . | * | trans | -115.5 | 75.8 | -179.4 | -81.6 | -33.7 | 0 | 0 | 0 | 112 | S281 S282 A287 | S281-N285 WeakPolarHBondContact O-CB 3.31Å; S281-N285 PolarHBondContact O-N 2.86Å; S281-N285 PolarHBondContact O-ND2 3.23Å; S282-N285 CarbonylContact O-C 3.54Å; S282-N285 PolarHBondContact O-N 3.42Å; N285-A287 PolarHBondContact O-N 2.99Å | ||
| 286 | P | 52.1 | Low | 62.5 | Low | 131 Ų | 131 | 123.1 Ų | 123.1 | 85% | 0.851 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -69.7 | 9 | 168.7 | 32.5 | -36.8 | 0 | 0 | 0 | 113.5 | R284 | R284-P286 VanDerWaalsContact C-CD 3.42Å; R284-P286 WeakPolarHBondContact O-CD 3.36Å |
| 287 | A | 48.6 | Very low | 60.2 | Low | 84 Ų | 84 | 124.9 Ų | 124.9 | 69% | 0.694 | 70% | 0.704 | S | S | * | * | trans | -138.5 | 54 | -169 | 0 | 0 | 0 | 0 | 0 | 112.6 | N285 | N285-A287 PolarHBondContact O-N 2.99Š| ||
| 288 | S | 48.1 | Very low | 58.5 | Low | 108 Ų | 108 | 127.1 Ų | 127.1 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | trans | -143.5 | 66.2 | 169.8 | -76.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 289 | G | 47.7 | Very low | 56.6 | Low | 73 Ų | 73 | 128 Ų | 128 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | trans | -140.1 | 16.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 290 | L | 51.8 | Low | 54.9 | Low | 174 Ų | 174 | 130.7 Ų | 130.7 | 91% | 0.911 | 74% | 0.738 | S | S | * | * | trans | -135.1 | 72.7 | -175 | -81.6 | 170.7 | 0 | 0 | 0 | 111.4 | ||||
| 291 | T | 55.3 | Low | 53.1 | Low | 133 Ų | 133 | 130.5 Ų | 130.5 | 82% | 0.816 | 75% | 0.749 | S | S | * | * | trans | -129 | 100.8 | 166.5 | 40.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 292 | R | 51.9 | Low | 51.8 | Low | 234 Ų | 234 | 132.8 Ų | 132.8 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | 56.9 | 99.5 | 164 | -68 | 174.9 | 153 | 174.8 | -8.1 | 116.7 | ||||
| 293 | D | 38.4 | Very low | 50.8 | Low | 157 Ų | 157 | 134.1 Ų | 134.1 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | -109.7 | 153 | 115.9 | -168 | 11.9 | 0 | 0 | 0 | 108.6 | |||||
| 294 | V | 50.9 | Low | 49.8 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -133 | 75.6 | -178.5 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 295 | G | 52.8 | Low | 49.7 | Very low | 60 Ų | 60 | 133.3 Ų | 133.3 | 62% | 0.619 | 78% | 0.78 | S | S | * | * | trans | -152.5 | 111.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 296 | A | 49.1 | Very low | 48.9 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | trans | 22.2 | 102.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 297 | S | 41.8 | Very low | 48.4 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | -153.1 | 133.7 | 114.5 | -169.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 298 | R | 55.1 | Low | 48.3 | Very low | 250 Ų | 250 | 136.9 Ų | 136.9 | 94% | 0.943 | 81% | 0.808 | S | S | * | * | trans | -118.4 | 76.6 | 177.7 | -64.5 | -171.9 | -170.9 | -151.1 | 5.6 | 110.2 | ||||
| 299 | V | 50.8 | Low | 47.6 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | trans | -131.3 | 102.1 | 171.3 | -172.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 300 | V | 50.5 | Low | 47.6 | Very low | 114 Ų | 114 | 145.3 Ų | 145.3 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | trans | 18.4 | 106.8 | 147.1 | -168.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 301 | L | 44.3 | Very low | 46.8 | Very low | 162 Ų | 162 | 148 Ų | 148 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | -133.4 | 49.7 | 146.5 | -79.8 | -176.9 | 0 | 0 | 0 | 111.1 | C303 | L301-C303 VanDerWaalsContact C-N 3.26Å; L301-C303 PolarHBondContact O-N 2.93Å; L301-C303 VanDerWaalsContact O-N 3.12Å | ||
| 302 | S | 51.7 | Low | 46.3 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | trans | -82.5 | 66.3 | 169.7 | 55.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 303 | C | 49.4 | Very low | 45.5 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 71% | 0.709 | 81% | 0.813 | S | S | * | * | trans | -112.8 | 105.9 | 168.9 | 56.1 | 0 | 0 | 0 | 0 | 109.5 | L301 | L301-C303 VanDerWaalsContact C-N 3.26Å; L301-C303 PolarHBondContact O-N 2.93Å; L301-C303 VanDerWaalsContact O-N 3.12Å | ||
| 304 | M | 39.9 | Very low | 46 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | -67.9 | 147.4 | -163.9 | -64.9 | 156 | 60 | 0 | 0 | 114.4 | A306 | M304-A306 PolarHBondContact O-N 2.96Š| ||
| 305 | Q | 58.5 | Low | 45 | Very low | 188 Ų | 188 | 139.3 Ų | 139.3 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | 3.3 | 111.1 | 146.4 | -64.1 | 161.6 | -43.7 | 0 | 0 | 116.5 | ||||
| 306 | A | 38 | Very low | 44.7 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -110.4 | 140.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | M304 | M304-A306 PolarHBondContact O-N 2.96Š| ||
| 307 | L | 42.3 | Very low | 44.1 | Very low | 179 Ų | 179 | 146.5 Ų | 146.5 | 94% | 0.937 | 81% | 0.808 | S | S | * | * | trans | -81.2 | 167.2 | -170.8 | -74 | 165.1 | 0 | 0 | 0 | 113.7 | ||||
| 308 | A | 45.2 | Very low | 43.8 | Very low | 105 Ų | 105 | 147.1 Ų | 147.1 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | trans | -46.4 | 139.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 309 | S | 35.3 | Very low | 43.1 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -142.7 | 125.5 | 157.4 | -163.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 310 | R | 45.9 | Very low | 42.7 | Very low | 250 Ų | 250 | 143 Ų | 143 | 94% | 0.943 | 81% | 0.81 | S | S | * | * | trans | -80.1 | 116.7 | 170 | -68 | -179.3 | -177.6 | 176.6 | 0.7 | 108.6 | ||||
| 311 | R | 34.9 | Very low | 42.4 | Very low | 230 Ų | 230 | 141.1 Ų | 141.1 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | trans | -134.8 | 128 | 157 | -66.8 | -167.2 | 73.3 | 156.9 | 1.1 | 110.6 | ||||
| 312 | T | 45.5 | Very low | 42.7 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 91% | 0.914 | 78% | 0.78 | S | S | * | * | trans | -70.3 | 132.9 | 168.4 | 37.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 313 | A | 36.3 | Very low | 42.8 | Very low | 89 Ų | 89 | 139.5 Ų | 139.5 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -138.7 | 116.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109 | C315 | A313-C315 PolarHBondContact O-N 3.4Š| ||
| 314 | S | 46.9 | Very low | 43.3 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -84.5 | 106.2 | 176.1 | 156.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 315 | C | 31.8 | Very low | 45 | Very low | 123 Ų | 123 | 134 Ų | 134 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | -104.6 | 106.8 | 169.5 | -65.8 | 0 | 0 | 0 | 0 | 109.7 | A313 | A313-C315 PolarHBondContact O-N 3.4Š| ||
| 316 | Q | 45.2 | Very low | 45.9 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 65% | 0.654 | 74% | 0.737 | S | S | * | * | trans | -91.7 | 140.2 | 175.7 | -78.6 | -161.7 | 8.2 | 0 | 0 | 112.4 | ||||
| 317 | K | 37.4 | Very low | 48.1 | Very low | 177 Ų | 177 | 130.7 Ų | 130.7 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | trans | 68.1 | 100 | 149.9 | -65.5 | 157.8 | 178.3 | 154.8 | 0 | 119.3 | ||||
| 318 | S | 35 | Very low | 50.2 | Low | 121 Ų | 121 | 126 Ų | 126 | 85% | 0.846 | 70% | 0.695 | S | S | * | * | -143.3 | 84.7 | 113.5 | 48.7 | 0 | 0 | 0 | 0 | 109 | |||||
| 319 | S | 39.6 | Very low | 52.2 | Low | 108 Ų | 108 | 124.5 Ų | 124.5 | 76% | 0.755 | 67% | 0.67 | S | S | * | * | 71.2 | 48.3 | 93.6 | -166.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 320 | M | 42.9 | Very low | 54.8 | Low | 174 Ų | 174 | 122 Ų | 122 | 86% | 0.857 | 65% | 0.646 | S | S | * | * | trans | -112.8 | 127.8 | 142.6 | -74.8 | -65.5 | 157.7 | 0 | 0 | 108.2 | S322 | M320-S322 PolarHBondContact O-N 3.26Š| ||
| 321 | P | 43.9 | Very low | 56.8 | Low | 76 Ų | 76 | 113.8 Ų | 113.8 | 49% | 0.494 | 62% | 0.623 | S | S | . | * | trans | -74 | 111 | 179.2 | 29.3 | -32.2 | 0 | 0 | 0 | 109.6 | Q323 | P321-Q323 PolarHBondContact O-N 3.29Å; P321-Q323 VanDerWaalsContact O-N 3.09Å | ||
| 322 | S | 50.4 | Low | 59.3 | Low | 60 Ų | 60 | 109.6 Ų | 109.6 | 42% | 0.42 | 61% | 0.613 | S | S | . | * | trans | -49.9 | 113.6 | 173.7 | 34.5 | 0 | 0 | 0 | 0 | 111.1 | M320 C324 T325 | M320-S322 PolarHBondContact O-N 3.26Å; S322-C324 PolarHBondContact O-N 2.91Å; S322-T325 PolarHBondContact O-N 3.12Å; S322-T325 PolarHBondContact O-OG1 2.59Å; S322-T325 WeakPolarHBondContact OG-CG2 3.45Å; S322-T325 PolarHBondContact OG-OG1 3.46Å | ||
| 323 | Q | 55.1 | Low | 61.2 | Low | 173 Ų | 173 | 103.1 Ų | 103.1 | 81% | 0.808 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.2 | -40.3 | 176.6 | -72.7 | 168.1 | -36.5 | 0 | 0 | 110.5 | P321 T325 R326 F327 | P321-Q323 PolarHBondContact O-N 3.29Å; P321-Q323 VanDerWaalsContact O-N 3.09Å; Q323-T325 PolarHBondContact O-N 3.43Å; Q323-R326 PolarHBondContact O-N 3.01Å; Q323-F327 WeakPolarHBondContact O-CB 3.42Å; Q323-F327 PolarHBondContact O-N 3.33Å |
| 324 | C | 59.3 | Low | 63.6 | Low | 83 Ų | 83 | 101.3 Ų | 101.3 | 56% | 0.561 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -45.4 | -60 | 171.4 | -172.7 | 0 | 0 | 0 | 0 | 112.9 | S322 R326 F327 D328 | S322-C324 PolarHBondContact O-N 2.91Å; C324-R326 VanDerWaalsContact C-N 3.27Å; C324-R326 PolarHBondContact O-N 3.15Å; C324-R326 VanDerWaalsContact O-N 3.15Å; C324-F327 WeakPolarHBondContact O-CA 3.39Å; C324-F327 WeakPolarHBondContact O-CB 3.41Å; C324-F327 PolarHBondContact O-N 3.16Å; C324-D328 VanDerWaalsContact O-CG 3.23Å; C324-D328 PolarHBondContact O-N 3.43Å |
| 325 | T | 74.8 | Confident | 65.4 | Low | 70 Ų | 70 | 100.7 Ų | 100.7 | 43% | 0.429 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.7 | -29 | -176.1 | 58.2 | 0 | 0 | 0 | 0 | 114 | S322 Q323 E329 | S322-T325 PolarHBondContact O-N 3.12Å; S322-T325 PolarHBondContact O-OG1 2.59Å; S322-T325 WeakPolarHBondContact OG-CG2 3.45Å; S322-T325 PolarHBondContact OG-OG1 3.46Å; Q323-T325 PolarHBondContact O-N 3.43Å; T325-E329 PolarHBondContact O-N 3.31Å; T325-E329 VanDerWaalsContact O-N 3.16Å |
| 326 | R | 79.1 | Confident | 67.8 | Low | 116 Ų | 116 | 100.1 Ų | 100.1 | 44% | 0.438 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -76.6 | -37.1 | 173.2 | -78.6 | -176.2 | 176.2 | 151.6 | -2.7 | 111.9 | Q323 C324 D328 E329 F330 | Q323-R326 PolarHBondContact O-N 3.01Å; C324-R326 VanDerWaalsContact C-N 3.27Å; C324-R326 PolarHBondContact O-N 3.15Å; C324-R326 VanDerWaalsContact O-N 3.15Å; R326-D328 VanDerWaalsContact C-N 3.33Å; R326-E329 WeakPolarHBondContact O-CB 3.49Å; R326-E329 PolarHBondContact O-N 3.38Å; R326-F330 VanDerWaalsContact O-CD2 3.32Å; R326-F330 WeakPolarHBondContact O-CD2 3.45Å; R326-F330 PolarHBondContact O-N 3.24Å |
| 327 | F | 83.5 | Confident | 69.7 | Low | 104 Ų | 104 | 95.7 Ų | 95.7 | 46% | 0.456 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 174.4 | -178.6 | -92.6 | 0 | 0 | 0 | 110.4 | Y84 Q323 C324 E329 F330 V331 | Y84-F327 WeakPolarHBondContact OH-CE1 3.46Å; Y84-F327 WeakPolarHBondContact OH-CZ 3.49Å; Q323-F327 WeakPolarHBondContact O-CB 3.42Å; Q323-F327 PolarHBondContact O-N 3.33Å; C324-F327 WeakPolarHBondContact O-CA 3.39Å; C324-F327 WeakPolarHBondContact O-CB 3.41Å; C324-F327 PolarHBondContact O-N 3.16Å; F327-E329 PolarHBondContact O-N 2.87Å; F327-F330 PolarHBondContact O-N 3.05Å; F327-V331 HydrophobicContact CD1-CG2 3.9Å; F327-V331 HydrophobicContact CE1-CG2 3.38Å; F327-V331 HydrophobicContact CE2-CG2 4.37Å; F327-V331 HydrophobicContact CZ-CG2 3.65Å; F327-V331 PolarHBondContact O-N 3.38Å |
| 328 | D | 86.1 | Confident | 71.8 | Confident | 82 Ų | 82 | 92.9 Ų | 92.9 | 44% | 0.439 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.1 | -44 | 173.8 | -60.3 | -29.1 | 0 | 0 | 0 | 112.4 | C324 R326 F330 V331 Q332 | C324-D328 VanDerWaalsContact O-CG 3.23Å; C324-D328 PolarHBondContact O-N 3.43Å; R326-D328 VanDerWaalsContact C-N 3.33Å; D328-F330 VanDerWaalsContact C-N 3.26Å; D328-F330 PolarHBondContact O-N 3.26Å; D328-V331 PolarHBondContact O-N 3.28Å; D328-Q332 VanDerWaalsContact O-CB 3.29Å; D328-Q332 WeakPolarHBondContact O-CB 3.41Å; D328-Q332 PolarHBondContact O-N 2.9Å |
| 329 | E | 86.5 | Confident | 73.7 | Confident | 72 Ų | 72 | 97.1 Ų | 97.1 | 34% | 0.336 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -53.6 | -41.8 | 172.6 | -84.3 | 178.7 | -139.6 | 0 | 0 | 111.8 | T325 R326 F327 A333 S351 | T325-E329 PolarHBondContact O-N 3.31Å; T325-E329 VanDerWaalsContact O-N 3.16Å; R326-E329 WeakPolarHBondContact O-CB 3.49Å; R326-E329 PolarHBondContact O-N 3.38Å; F327-E329 PolarHBondContact O-N 2.87Å; E329-A333 VanDerWaalsContact O-CB 3.28Å; E329-A333 WeakPolarHBondContact O-CB 3.4Å; E329-A333 PolarHBondContact O-N 2.99Å; E329-A333 VanDerWaalsContact O-N 3.09Å; E329-S351 PolarHBondContact OE2-OG 2.63Å |
| 330 | F | 89.6 | Confident | 75.4 | Confident | 57 Ų | 57 | 98.2 Ų | 98.2 | 25% | 0.25 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -75.7 | -40.7 | 180 | -87.9 | -104 | 0 | 0 | 0 | 112.9 | R326 F327 D328 A333 A334 L343 G350 P352 | R326-F330 VanDerWaalsContact O-CD2 3.32Å; R326-F330 WeakPolarHBondContact O-CD2 3.45Å; R326-F330 PolarHBondContact O-N 3.24Å; F327-F330 PolarHBondContact O-N 3.05Å; D328-F330 VanDerWaalsContact C-N 3.26Å; D328-F330 PolarHBondContact O-N 3.26Å; F330-A333 PolarHBondContact O-N 2.82Å; F330-A334 VanDerWaalsContact O-CB 3.3Å; F330-A334 WeakPolarHBondContact O-CB 3.43Å; F330-A334 PolarHBondContact O-N 3.43Å; F330-L343 HydrophobicContact CD1-CD1 4.37Å; F330-G350 VanDerWaalsContact CE2-O 3.29Å; F330-G350 WeakPolarHBondContact CE2-O 3.3Å; F330-G350 VanDerWaalsContact CZ-O 3.32Å; F330-G350 WeakPolarHBondContact CZ-O 3.25Å; F330-P352 HydrophobicContact CD1-CB 4.03Å; F330-P352 HydrophobicContact CD2-CB 4.26Å; F330-P352 HydrophobicContact CD2-CG 4.27Å; F330-P352 HydrophobicContact CE1-CB 3.95Å; F330-P352 HydrophobicContact CE2-CB 4.21Å; F330-P352 HydrophobicContact CE2-CG 4.4Å; F330-P352 HydrophobicContact CG-CB 4.2Å; F330-P352 HydrophobicContact CG-CG 4.5Å; F330-P352 HydrophobicContact CZ-CB 4.06Å |
| 331 | V | 88.8 | Confident | 77.3 | Confident | 77 Ų | 77 | 91.3 Ų | 91.3 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 176 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | F327 D328 A333 A334 S335 | F327-V331 HydrophobicContact CD1-CG2 3.9Å; F327-V331 HydrophobicContact CE1-CG2 3.38Å; F327-V331 HydrophobicContact CE2-CG2 4.37Å; F327-V331 HydrophobicContact CZ-CG2 3.65Å; F327-V331 PolarHBondContact O-N 3.38Å; D328-V331 PolarHBondContact O-N 3.28Å; V331-A333 PolarHBondContact O-N 3.11Å; V331-A334 PolarHBondContact O-N 3.28Å; V331-S335 PolarHBondContact O-N 3.27Å |
| 332 | Q | 87.6 | Confident | 79.5 | Confident | 141 Ų | 141 | 90 Ų | 90 | 66% | 0.659 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.4 | -46.3 | 176.2 | -169.7 | 179.5 | 23.4 | 0 | 0 | 110.9 | D328 A334 S335 | D328-Q332 VanDerWaalsContact O-CB 3.29Å; D328-Q332 WeakPolarHBondContact O-CB 3.41Å; D328-Q332 PolarHBondContact O-N 2.9Å; Q332-A334 VanDerWaalsContact C-N 3.34Å; Q332-A334 PolarHBondContact O-N 3.29Å; Q332-S335 PolarHBondContact O-N 2.95Å; Q332-S335 PolarHBondContact O-OG 3.4Å |
| 333 | A | 86.1 | Confident | 81.4 | Confident | 14 Ų | 14 | 88.9 Ų | 88.9 | 12% | 0.116 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E329 F330 V331 S335 T336 L343 P352 | E329-A333 VanDerWaalsContact O-CB 3.28Å; E329-A333 WeakPolarHBondContact O-CB 3.4Å; E329-A333 PolarHBondContact O-N 2.99Å; E329-A333 VanDerWaalsContact O-N 3.09Å; F330-A333 PolarHBondContact O-N 2.82Å; V331-A333 PolarHBondContact O-N 3.11Å; A333-S335 VanDerWaalsContact C-N 3.3Å; A333-S335 PolarHBondContact O-N 2.69Å; A333-T336 PolarHBondContact O-N 3Å; A333-T336 VanDerWaalsContact O-N 3.14Å; A333-T336 PolarHBondContact O-OG1 2.64Å; A333-L343 HydrophobicContact CB-CD1 3.64Å; A333-L343 HydrophobicContact CB-CD2 4.48Å; A333-P352 HydrophobicContact CB-CB 3.93Å; A333-P352 HydrophobicContact CB-CG 3.74Å |
| 334 | A | 85.6 | Confident | 83.1 | Confident | 51 Ų | 51 | 87 Ų | 87 | 42% | 0.421 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.9 | -34.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F330 V331 Q332 T336 L337 L343 | F330-A334 VanDerWaalsContact O-CB 3.3Å; F330-A334 WeakPolarHBondContact O-CB 3.43Å; F330-A334 PolarHBondContact O-N 3.43Å; V331-A334 PolarHBondContact O-N 3.28Å; Q332-A334 VanDerWaalsContact C-N 3.34Å; Q332-A334 PolarHBondContact O-N 3.29Å; A334-T336 PolarHBondContact O-N 3.02Å; A334-L337 WeakPolarHBondContact O-CB 3.42Å; A334-L337 PolarHBondContact O-N 3.15Å; A334-L343 HydrophobicContact CB-CD1 4.11Å |
| 335 | S | 84.8 | Confident | 84.5 | Confident | 96 Ų | 96 | 86.7 Ų | 86.7 | 67% | 0.671 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64 | -21.1 | 175.6 | 78.1 | 0 | 0 | 0 | 0 | 114.2 | V331 Q332 A333 | V331-S335 PolarHBondContact O-N 3.27Å; Q332-S335 PolarHBondContact O-N 2.95Å; Q332-S335 PolarHBondContact O-OG 3.4Å; A333-S335 VanDerWaalsContact C-N 3.3Å; A333-S335 PolarHBondContact O-N 2.69Å |
| 336 | T | 83.8 | Confident | 85.3 | Confident | 111 Ų | 111 | 83.6 Ų | 83.6 | 68% | 0.681 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 4 | -178.8 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | A333 A334 | A333-T336 PolarHBondContact O-N 3Å; A333-T336 VanDerWaalsContact O-N 3.14Å; A333-T336 PolarHBondContact O-OG1 2.64Å; A334-T336 PolarHBondContact O-N 3.02Å |
| 337 | L | 84.3 | Confident | 85.6 | Confident | 47 Ų | 47 | 85.1 Ų | 85.1 | 25% | 0.246 | 44% | 0.435 | C | S | . | . | trans | -98.7 | 140.3 | -162.2 | -156.5 | 63.1 | 0 | 0 | 0 | 112.4 | A334 E341 L343 T354 | A334-L337 WeakPolarHBondContact O-CB 3.42Å; A334-L337 PolarHBondContact O-N 3.15Å; L337-E341 HydrophobicContact CD1-CB 3.53Å; L337-E341 WeakPolarHBondContact CD2-O 3.33Å; L337-E341 HydrophobicContact CG-CB 3.77Å; L337-L343 HydrophobicContact CD1-CD2 4.13Å; L337-L343 HydrophobicContact CD2-CD2 4.2Å; L337-L343 HydrophobicContact CD2-CG 3.83Å; L337-T354 HydrophobicContact CD1-CG2 4.12Å | ||
| 338 | K | 81.3 | Confident | 85.7 | Confident | 117 Ų | 117 | 88.5 Ų | 88.5 | 51% | 0.509 | 45% | 0.445 | S | S | . | . | trans | -82.6 | 158.1 | 176.1 | -58.2 | 175.7 | -142.7 | 69.4 | 0 | 111 | H340 E341 | K338-H340 PolarHBondContact O-N 3.28Å; K338-E341 HydrophobicContact CB-CG 4.28Å; K338-E341 VanDerWaalsContact CB-OE2 3.3Å; K338-E341 WeakPolarHBondContact CB-OE2 3.41Å; K338-E341 WeakPolarHBondContact CG-OE2 3.07Å; K338-E341 PolarHBondContact N-OE2 2.78Å; K338-E341 IonicContact NZ-OE1 2.63Å; K338-E341 PolarHBondContact NZ-OE1 3.22Å; K338-E341 IonicContact NZ-OE2 2.89Å; K338-E341 PolarHBondContact NZ-OE2 2.87Å; K338-E341 PolarHBondContact O-N 3.48Å | ||
| 339 | Q | 75.9 | Confident | 85.7 | Confident | 211 Ų | 211 | 86.3 Ų | 86.3 | 99% | 0.986 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -17.2 | -176.5 | -66.9 | 175.1 | -24.8 | 0 | 0 | 116.3 | ||
| 340 | H | 74.5 | Confident | 85.6 | Confident | 131 Ų | 131 | 84.3 Ų | 84.3 | 61% | 0.606 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | -2 | 178.5 | 55.9 | -92.8 | 0 | 0 | 0 | 113.5 | K338 | K338-H340 PolarHBondContact O-N 3.28Š|
| 341 | E | 82.6 | Confident | 85.6 | Confident | 28 Ų | 28 | 81.7 Ų | 81.7 | 13% | 0.131 | 42% | 0.423 | C | S | . | . | trans | -102.7 | 146.4 | 177.4 | -61 | 169.1 | 153.3 | 0 | 0 | 108.1 | L337 K338 T354 | L337-E341 HydrophobicContact CD1-CB 3.53Å; L337-E341 WeakPolarHBondContact CD2-O 3.33Å; L337-E341 HydrophobicContact CG-CB 3.77Å; K338-E341 HydrophobicContact CB-CG 4.28Å; K338-E341 VanDerWaalsContact CB-OE2 3.3Å; K338-E341 WeakPolarHBondContact CB-OE2 3.41Å; K338-E341 WeakPolarHBondContact CG-OE2 3.07Å; K338-E341 PolarHBondContact N-OE2 2.78Å; K338-E341 IonicContact NZ-OE1 2.63Å; K338-E341 PolarHBondContact NZ-OE1 3.22Å; K338-E341 IonicContact NZ-OE2 2.89Å; K338-E341 PolarHBondContact NZ-OE2 2.87Å; K338-E341 PolarHBondContact O-N 3.48Å; E341-T354 HydrophobicContact CB-CG2 4.48Å | ||
| 342 | S | 89.3 | Confident | 85.7 | Confident | 50 Ų | 50 | 78.3 Ų | 78.3 | 35% | 0.35 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 167 | 174 | 38.9 | 0 | 0 | 0 | 0 | 110.4 | Y355 | S342-Y355 PolarHBondContact N-O 3.07Å; S342-Y355 WeakPolarHBondContact O-CB 3.42Å; S342-Y355 PolarHBondContact O-N 3.4Å; S342-Y355 WeakPolarHBondContact OG-CD1 3.36Å |
| 343 | L | 91.1 | Very high | 86 | Confident | 36 Ų | 36 | 71.6 Ų | 71.6 | 19% | 0.188 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 148.7 | -179.1 | -64 | -178.8 | 0 | 0 | 0 | 112.7 | F330 A333 A334 L337 P352 A353 | F330-L343 HydrophobicContact CD1-CD1 4.37Å; A333-L343 HydrophobicContact CB-CD1 3.64Å; A333-L343 HydrophobicContact CB-CD2 4.48Å; A334-L343 HydrophobicContact CB-CD1 4.11Å; L337-L343 HydrophobicContact CD1-CD2 4.13Å; L337-L343 HydrophobicContact CD2-CD2 4.2Å; L337-L343 HydrophobicContact CD2-CG 3.83Å; L343-P352 HydrophobicContact CD1-CB 4.1Å; L343-P352 HydrophobicContact CD2-CB 4.36Å; L343-A353 WeakPolarHBondContact CA-O 3.41Å |
| 344 | R | 90.2 | Very high | 86.2 | Confident | 134 Ų | 134 | 72.4 Ų | 72.4 | 51% | 0.506 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 159.6 | 166.7 | -64.3 | -63.6 | 178.6 | -177.7 | -2.6 | 109.6 | P352 A353 Y355 T375 | R344-P352 CarbonylContact O-C 3.59Å; R344-A353 PolarHBondContact N-O 3.14Å; R344-A353 WeakPolarHBondContact O-CB 3.32Å; R344-A353 PolarHBondContact O-N 2.94Å; R344-Y355 HydrophobicContact CG-CD1 4.41Å; R344-Y355 HydrophobicContact CG-CG 4.04Å; R344-T375 HydrophobicContact CG-CG2 4.4Å |
| 345 | S | 90.1 | Very high | 86.5 | Confident | 76 Ų | 76 | 71.1 Ų | 71.1 | 53% | 0.531 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 136.3 | 172.4 | 47 | 0 | 0 | 0 | 0 | 111.2 | ||
| 346 | C | 90.8 | Very high | 86.5 | Confident | 4 Ų | 4 | 71 Ų | 71 | 3% | 0.027 | 34% | 0.344 | C | S | . | . | trans | -76.7 | 123.9 | 176.9 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | R348 C349 G350 S351 C364 F373 | C346-R348 PolarHBondContact O-N 2.86Å; C346-C349 PolarHBondContact O-N 3.29Å; C346-G350 WeakPolarHBondContact O-CA 3.39Å; C346-G350 PolarHBondContact O-N 3.18Å; C346-S351 VanDerWaalsContact CB-O 3.32Å; C346-S351 WeakPolarHBondContact CB-O 3.5Å; C346-S351 PolarHBondContact N-O 3.19Å; C346-C364 HydrophobicContact CB-CB 3.99Å; C346-F373 HydrophobicContact CB-CE1 4.44Å | ||
| 347 | R | 85.8 | Confident | 86.4 | Confident | 148 Ų | 148 | 68.2 Ų | 68.2 | 56% | 0.558 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.7 | -36.7 | 174.3 | -79.6 | -80.7 | -114.3 | -143.1 | 6.6 | 114.6 | Q378 | R347-Q378 VanDerWaalsContact CD-OE1 3.22Å; R347-Q378 HydrophobicContact CG-CB 3.72Å |
| 348 | R | 84.7 | Confident | 86.2 | Confident | 175 Ų | 175 | 75.5 Ų | 75.5 | 66% | 0.66 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -21.6 | -170.8 | -62.5 | -175.5 | 72.3 | -169.7 | 2.6 | 114.6 | C346 F371 | C346-R348 PolarHBondContact O-N 2.86Å; R348-F371 VanDerWaalsContact CD-CD1 3.49Å; R348-F371 HydrophobicContact CG-CD1 3.76Å; R348-F371 HydrophobicContact CG-CE1 3.97Å; R348-F371 HydrophobicContact CG-CG 4.16Å |
| 349 | C | 87 | Confident | 86 | Confident | 36 Ų | 36 | 72.2 Ų | 72.2 | 24% | 0.243 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -149.4 | -1.1 | -172.8 | 65.3 | 0 | 0 | 0 | 0 | 115.8 | C346 S351 C369 | C346-C349 PolarHBondContact O-N 3.29Å; C349-S351 PolarHBondContact O-N 3.38Å; C349-C369 VanDerWaalsContact SG-SG 3.61Å |
| 350 | G | 84.4 | Confident | 86.5 | Confident | 30 Ų | 30 | 64.4 Ų | 64.4 | 31% | 0.309 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 76.5 | -31.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | F330 C346 | F330-G350 VanDerWaalsContact CE2-O 3.29Å; F330-G350 WeakPolarHBondContact CE2-O 3.3Å; F330-G350 VanDerWaalsContact CZ-O 3.32Å; F330-G350 WeakPolarHBondContact CZ-O 3.25Å; C346-G350 WeakPolarHBondContact O-CA 3.39Å; C346-G350 PolarHBondContact O-N 3.18Å |
| 351 | S | 89.6 | Confident | 87.2 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | trans | -51.7 | 155.7 | 178.3 | -65.9 | 0 | 0 | 0 | 0 | 113.6 | E329 C346 C349 R366 | E329-S351 PolarHBondContact OE2-OG 2.63Å; C346-S351 VanDerWaalsContact CB-O 3.32Å; C346-S351 WeakPolarHBondContact CB-O 3.5Å; C346-S351 PolarHBondContact N-O 3.19Å; C349-S351 PolarHBondContact O-N 3.38Å; S351-R366 PolarHBondContact OG-NH1 3.21Å | ||
| 352 | P | 91.1 | Very high | 87.7 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.032 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 150.2 | -176.8 | 21.7 | -32.4 | 0 | 0 | 0 | 113.6 | F330 A333 L343 R344 C364 S365 | F330-P352 HydrophobicContact CD1-CB 4.03Å; F330-P352 HydrophobicContact CD2-CB 4.26Å; F330-P352 HydrophobicContact CD2-CG 4.27Å; F330-P352 HydrophobicContact CE1-CB 3.95Å; F330-P352 HydrophobicContact CE2-CB 4.21Å; F330-P352 HydrophobicContact CE2-CG 4.4Å; F330-P352 HydrophobicContact CG-CB 4.2Å; F330-P352 HydrophobicContact CG-CG 4.5Å; F330-P352 HydrophobicContact CZ-CB 4.06Å; A333-P352 HydrophobicContact CB-CB 3.93Å; A333-P352 HydrophobicContact CB-CG 3.74Å; L343-P352 HydrophobicContact CD1-CB 4.1Å; L343-P352 HydrophobicContact CD2-CB 4.36Å; R344-P352 CarbonylContact O-C 3.59Å; P352-C364 PolarHBondContact O-SG 3.37Å; P352-C364 VanDerWaalsContact O-SG 3.36Å; P352-S365 PolarHBondContact O-N 3.2Å; P352-S365 PolarHBondContact O-OG 3.46Å |
| 353 | A | 92.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 126.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L343 R344 Y355 A362 T363 C364 F373 | L343-A353 WeakPolarHBondContact CA-O 3.41Å; R344-A353 PolarHBondContact N-O 3.14Å; R344-A353 WeakPolarHBondContact O-CB 3.32Å; R344-A353 PolarHBondContact O-N 2.94Å; A353-Y355 PolarHBondContact O-N 3.03Å; A353-A362 HydrophobicContact CB-CB 4.26Å; A353-T363 CarbonylContact C-O 3.59Å; A353-T363 WeakPolarHBondContact CA-O 3.34Å; A353-T363 WeakPolarHBondContact CB-O 3.47Å; A353-C364 HydrophobicContact CB-CB 4.43Å; A353-F373 HydrophobicContact CB-CE1 3.91Å; A353-F373 HydrophobicContact CB-CZ 4.19Å |
| 354 | T | 91.1 | Very high | 87.9 | Confident | 31 Ų | 31 | 58.5 Ų | 58.5 | 19% | 0.19 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 122.5 | 177 | -48.3 | 0 | 0 | 0 | 0 | 108.7 | L337 E341 W356 A362 T363 | L337-T354 HydrophobicContact CD1-CG2 4.12Å; E341-T354 HydrophobicContact CB-CG2 4.48Å; T354-W356 HydrophobicContact CG2-CH2 4.3Å; T354-W356 HydrophobicContact CG2-CZ2 3.96Å; T354-A362 CarbonylContact O-C 3.59Å; T354-A362 VanDerWaalsContact O-CA 3.25Å; T354-A362 WeakPolarHBondContact O-CA 3.32Å; T354-T363 PolarHBondContact N-O 3.03Å; T354-T363 PolarHBondContact O-N 3.09Å |
| 355 | Y | 90.9 | Very high | 87.7 | Confident | 24 Ų | 24 | 55.2 Ų | 55.2 | 9% | 0.094 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 127.2 | -175.8 | 163.9 | -110.7 | 0 | 0 | 0 | 111.3 | S342 R344 A353 A357 Q360 R361 A362 T375 | S342-Y355 PolarHBondContact N-O 3.07Å; S342-Y355 WeakPolarHBondContact O-CB 3.42Å; S342-Y355 PolarHBondContact O-N 3.4Å; S342-Y355 WeakPolarHBondContact OG-CD1 3.36Å; R344-Y355 HydrophobicContact CG-CD1 4.41Å; R344-Y355 HydrophobicContact CG-CG 4.04Å; A353-Y355 PolarHBondContact O-N 3.03Å; Y355-A357 HydrophobicContact CE1-CB 4.16Å; Y355-Q360 PolarHBondContact OH-NE2 3.05Å; Y355-Q360 VanDerWaalsContact OH-NE2 3.07Å; Y355-R361 WeakPolarHBondContact CA-O 3.47Å; Y355-R361 WeakPolarHBondContact CD2-O 3.4Å; Y355-A362 HydrophobicContact CD2-CB 4.3Å; Y355-T375 HydrophobicContact CD2-CG2 3.39Å; Y355-T375 HydrophobicContact CE2-CG2 3.56Å; Y355-T375 WeakPolarHBondContact CE2-OG1 3.36Å; Y355-T375 HydrophobicContact CG-CG2 4.35Å |
| 356 | W | 86.2 | Confident | 87.6 | Confident | 93 Ų | 93 | 57 Ų | 57 | 35% | 0.352 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 114.8 | 173.4 | -65.3 | -76.3 | 0 | 0 | 0 | 109.7 | T354 E358 Q360 R361 | T354-W356 HydrophobicContact CG2-CH2 4.3Å; T354-W356 HydrophobicContact CG2-CZ2 3.96Å; W356-E358 VanDerWaalsContact C-N 3.35Å; W356-E358 PolarHBondContact O-N 3.25Å; W356-Q360 PolarHBondContact O-N 3.2Å; W356-Q360 VanDerWaalsContact O-N 3.16Å; W356-R361 PolarHBondContact N-O 2.93Å; W356-R361 PolarHBondContact O-N 3.26Å |
| 357 | A | 81.3 | Confident | 87.3 | Confident | 53 Ų | 53 | 61.8 Ų | 61.8 | 44% | 0.438 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -38.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y355 A359 Q360 | Y355-A357 HydrophobicContact CE1-CB 4.16Å; A357-A359 PolarHBondContact O-N 3.39Å; A357-Q360 PolarHBondContact O-N 3.45Å; A357-Q360 PolarHBondContact O-NE2 2.91Å |
| 358 | E | 79.9 | Confident | 87.4 | Confident | 200 Ų | 200 | 58.9 Ų | 58.9 | 94% | 0.935 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -46.4 | -178.6 | -61.5 | 172.4 | 178.8 | 0 | 0 | 112.4 | W356 | W356-E358 VanDerWaalsContact C-N 3.35Å; W356-E358 PolarHBondContact O-N 3.25Å |
| 359 | A | 77.8 | Confident | 87.6 | Confident | 48 Ų | 48 | 51.9 Ų | 51.9 | 40% | 0.397 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A357 R361 | A357-A359 PolarHBondContact O-N 3.39Å; A359-R361 HydrophobicContact CB-CB 3.79Å; A359-R361 PolarHBondContact O-N 3.26Å |
| 360 | Q | 85.5 | Confident | 87.7 | Confident | 47 Ų | 47 | 55.3 Ų | 55.3 | 22% | 0.22 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 39.1 | -171 | -58.9 | -75.1 | -78.7 | 0 | 0 | 112.3 | Y355 W356 A357 C374 T375 R376 | Y355-Q360 PolarHBondContact OH-NE2 3.05Å; Y355-Q360 VanDerWaalsContact OH-NE2 3.07Å; W356-Q360 PolarHBondContact O-N 3.2Å; W356-Q360 VanDerWaalsContact O-N 3.16Å; A357-Q360 PolarHBondContact O-N 3.45Å; A357-Q360 PolarHBondContact O-NE2 2.91Å; Q360-C374 CarbonylContact O-C 3.46Å; Q360-C374 WeakPolarHBondContact O-CA 3.42Å; Q360-C374 PolarHBondContact O-SG 3.26Å; Q360-C374 VanDerWaalsContact O-SG 3.4Å; Q360-T375 PolarHBondContact O-N 3Å; Q360-T375 PolarHBondContact O-OG1 3.49Å; Q360-R376 VanDerWaalsContact OE1-CZ 3.29Å |
| 361 | R | 89.6 | Confident | 87.9 | Confident | 89 Ų | 89 | 55.5 Ų | 55.5 | 34% | 0.336 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 136.8 | -166.4 | -178.4 | -177 | -176.9 | -160.2 | 5.6 | 110.3 | Y355 W356 A359 D372 F381 | Y355-R361 WeakPolarHBondContact CA-O 3.47Å; Y355-R361 WeakPolarHBondContact CD2-O 3.4Å; W356-R361 PolarHBondContact N-O 2.93Å; W356-R361 PolarHBondContact O-N 3.26Å; A359-R361 HydrophobicContact CB-CB 3.79Å; A359-R361 PolarHBondContact O-N 3.26Å; R361-D372 WeakPolarHBondContact CG-OD1 3.38Å; R361-D372 IonicContact CZ-OD1 2.67Å; R361-D372 IonicContact CZ-OD2 3.97Å; R361-D372 IonicContact NE-OD1 3.78Å; R361-D372 PolarHBondContact NE-OD1 3.28Å; R361-D372 IonicContact NE-OD2 2.69Å; R361-D372 PolarHBondContact NE-OD2 3.31Å; R361-D372 IonicContact NH2-OD1 3.55Å; R361-D372 IonicContact NH2-OD2 3.81Å; R361-D372 PolarHBondContact NH2-OD2 3.08Å; R361-F381 HydrophobicContact CB-CD2 3.82Å; R361-F381 HydrophobicContact CB-CE2 3.73Å; R361-F381 HydrophobicContact CB-CZ 4.42Å; R361-F381 HydrophobicContact CG-CB 4.49Å; R361-F381 HydrophobicContact CG-CD1 4.41Å; R361-F381 HydrophobicContact CG-CD2 3.61Å; R361-F381 HydrophobicContact CG-CE2 3.9Å; R361-F381 HydrophobicContact CG-CG 3.91Å; R361-F381 HydrophobicContact CG-CZ 4.4Å |
| 362 | A | 91.8 | Very high | 88 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 133.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A353 T354 Y355 D372 F373 T375 | A353-A362 HydrophobicContact CB-CB 4.26Å; T354-A362 CarbonylContact O-C 3.59Å; T354-A362 VanDerWaalsContact O-CA 3.25Å; T354-A362 WeakPolarHBondContact O-CA 3.32Å; Y355-A362 HydrophobicContact CD2-CB 4.3Å; A362-D372 WeakPolarHBondContact O-CA 3.36Å; A362-F373 HydrophobicContact CB-CD1 4.32Å; A362-F373 HydrophobicContact CB-CD2 4.43Å; A362-F373 HydrophobicContact CB-CE1 3.82Å; A362-F373 HydrophobicContact CB-CE2 3.97Å; A362-F373 HydrophobicContact CB-CZ 3.64Å; A362-F373 PolarHBondContact N-O 3.27Å; A362-F373 WeakPolarHBondContact O-CD1 3.42Å; A362-F373 PolarHBondContact O-N 2.87Å; A362-T375 HydrophobicContact CB-CG2 3.78Å |
| 363 | T | 92.3 | Very high | 88.1 | Confident | 31 Ų | 31 | 57.1 Ų | 57.1 | 19% | 0.19 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 127.1 | 178 | -50.9 | 0 | 0 | 0 | 0 | 109.9 | A353 T354 S365 F371 D372 | A353-T363 CarbonylContact C-O 3.59Å; A353-T363 WeakPolarHBondContact CA-O 3.34Å; A353-T363 WeakPolarHBondContact CB-O 3.47Å; T354-T363 PolarHBondContact N-O 3.03Å; T354-T363 PolarHBondContact O-N 3.09Å; T363-S365 PolarHBondContact O-N 2.88Å; T363-F371 WeakPolarHBondContact CA-O 3.46Å; T363-D372 HydrophobicContact CG2-CB 4.33Å; T363-D372 PolarHBondContact OG1-OD1 3.48Å |
| 364 | C | 92.4 | Very high | 87.9 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.014 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 128.2 | -179.4 | -169.9 | 0 | 0 | 0 | 0 | 111.6 | C346 P352 A353 R366 C369 F371 | C346-C364 HydrophobicContact CB-CB 3.99Å; P352-C364 PolarHBondContact O-SG 3.37Å; P352-C364 VanDerWaalsContact O-SG 3.36Å; A353-C364 HydrophobicContact CB-CB 4.43Å; C364-R366 VanDerWaalsContact C-N 3.25Å; C364-R366 PolarHBondContact O-N 3.33Å; C364-C369 HydrophobicContact CB-CB 4.3Å; C364-F371 PolarHBondContact N-O 2.82Å |
| 365 | S | 87.2 | Confident | 87.7 | Confident | 65 Ų | 65 | 57.3 Ų | 57.3 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | trans | -73.1 | -19 | -179.3 | 61.5 | 0 | 0 | 0 | 0 | 113.1 | P352 T363 S367 | P352-S365 PolarHBondContact O-N 3.2Å; P352-S365 PolarHBondContact O-OG 3.46Å; T363-S365 PolarHBondContact O-N 2.88Å; S365-S367 PolarHBondContact O-N 2.76Å | ||
| 366 | R | 87.2 | Confident | 87.4 | Confident | 114 Ų | 114 | 62.1 Ų | 62.1 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | trans | -69.5 | 117.1 | 179 | -178.6 | 174.3 | 173.7 | 155.7 | 3.6 | 111 | S351 C364 S368 C369 L370 | S351-R366 PolarHBondContact OG-NH1 3.21Å; C364-R366 VanDerWaalsContact C-N 3.25Å; C364-R366 PolarHBondContact O-N 3.33Å; R366-S368 PolarHBondContact NE-OG 2.87Å; R366-S368 PolarHBondContact O-N 3.38Å; R366-S368 VanDerWaalsContact O-N 3.13Å; R366-C369 HydrophobicContact CB-CB 4.35Å; R366-C369 PolarHBondContact O-N 3.28Å; R366-L370 PolarHBondContact O-N 3.43Å | ||
| 367 | S | 85.9 | Confident | 87.4 | Confident | 103 Ų | 103 | 58.7 Ų | 58.7 | 72% | 0.72 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -31.5 | -179.5 | 55.8 | 0 | 0 | 0 | 0 | 115 | S365 C369 | S365-S367 PolarHBondContact O-N 2.76Å; S367-C369 VanDerWaalsContact C-N 3.26Å; S367-C369 PolarHBondContact O-N 2.85Å |
| 368 | S | 86.7 | Confident | 87.6 | Confident | 88 Ų | 88 | 59.9 Ų | 59.9 | 62% | 0.615 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 5.2 | 176.9 | 80.9 | 0 | 0 | 0 | 0 | 114.4 | R366 | R366-S368 PolarHBondContact NE-OG 2.87Å; R366-S368 PolarHBondContact O-N 3.38Å; R366-S368 VanDerWaalsContact O-N 3.13Å |
| 369 | C | 89.1 | Confident | 87.8 | Confident | 28 Ų | 28 | 55.4 Ų | 55.4 | 19% | 0.189 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | -57.4 | -178 | -175.4 | 0 | 0 | 0 | 0 | 111 | C349 C364 R366 S367 F371 | C349-C369 VanDerWaalsContact SG-SG 3.61Å; C364-C369 HydrophobicContact CB-CB 4.3Å; R366-C369 HydrophobicContact CB-CB 4.35Å; R366-C369 PolarHBondContact O-N 3.28Å; S367-C369 VanDerWaalsContact C-N 3.26Å; S367-C369 PolarHBondContact O-N 2.85Å; C369-F371 PolarHBondContact O-N 2.91Å |
| 370 | L | 88.5 | Confident | 88.3 | Confident | 107 Ų | 107 | 56.3 Ų | 56.3 | 56% | 0.56 | 30% | 0.297 | S | S | * | . | trans | 44.6 | 23.7 | 180 | -61.8 | 175.6 | 0 | 0 | 0 | 114.9 | R366 D372 | R366-L370 PolarHBondContact O-N 3.43Å; L370-D372 PolarHBondContact O-N 3.33Å | ||
| 371 | F | 89.9 | Confident | 88.4 | Confident | 35 Ų | 35 | 56.7 Ų | 56.7 | 15% | 0.154 | 30% | 0.298 | C | S | . | . | trans | -74.6 | 126.9 | -169.9 | -178.2 | -119 | 0 | 0 | 0 | 110.7 | R348 T363 C364 C369 F373 P380 | R348-F371 VanDerWaalsContact CD-CD1 3.49Å; R348-F371 HydrophobicContact CG-CD1 3.76Å; R348-F371 HydrophobicContact CG-CE1 3.97Å; R348-F371 HydrophobicContact CG-CG 4.16Å; T363-F371 WeakPolarHBondContact CA-O 3.46Å; C364-F371 PolarHBondContact N-O 2.82Å; C369-F371 PolarHBondContact O-N 2.91Å; F371-F373 HydrophobicContact CD1-CB 4.17Å; F371-F373 AromaticContact CD1-CD1 3.93Å; F371-F373 HydrophobicContact CD1-CD1 3.93Å; F371-F373 HydrophobicContact CD1-CG 4.39Å; F371-F373 HydrophobicContact CE1-CB 3.74Å; F371-F373 HydrophobicContact CE1-CD1 4.29Å; F371-F373 HydrophobicContact CE1-CG 4.3Å; F371-F373 HydrophobicContact CZ-CB 4.33Å; F371-P380 HydrophobicContact CE2-CB 4.41Å; F371-P380 HydrophobicContact CE2-CG 4.01Å; F371-P380 HydrophobicContact CZ-CB 4.48Å; F371-P380 HydrophobicContact CZ-CG 3.92Å | ||
| 372 | D | 91.9 | Very high | 88.1 | Confident | 37 Ų | 37 | 54.6 Ų | 54.6 | 20% | 0.198 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 116.6 | -176.1 | -175.4 | 34.4 | 0 | 0 | 0 | 110.7 | R361 A362 T363 L370 P380 F381 | R361-D372 WeakPolarHBondContact CG-OD1 3.38Å; R361-D372 IonicContact CZ-OD1 2.67Å; R361-D372 IonicContact CZ-OD2 3.97Å; R361-D372 IonicContact NE-OD1 3.78Å; R361-D372 PolarHBondContact NE-OD1 3.28Å; R361-D372 IonicContact NE-OD2 2.69Å; R361-D372 PolarHBondContact NE-OD2 3.31Å; R361-D372 IonicContact NH2-OD1 3.55Å; R361-D372 IonicContact NH2-OD2 3.81Å; R361-D372 PolarHBondContact NH2-OD2 3.08Å; A362-D372 WeakPolarHBondContact O-CA 3.36Å; T363-D372 HydrophobicContact CG2-CB 4.33Å; T363-D372 PolarHBondContact OG1-OD1 3.48Å; L370-D372 PolarHBondContact O-N 3.33Å; D372-P380 WeakPolarHBondContact O-CA 3.13Å; D372-F381 PolarHBondContact O-N 3.01Å; D372-F381 WeakPolarHBondContact OD2-CB 3.29Å |
| 373 | F | 91.3 | Very high | 87.5 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.018 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 149.2 | -170.4 | 64.6 | -82.1 | 0 | 0 | 0 | 112.6 | C346 A353 A362 F371 T375 Q378 E379 | C346-F373 HydrophobicContact CB-CE1 4.44Å; A353-F373 HydrophobicContact CB-CE1 3.91Å; A353-F373 HydrophobicContact CB-CZ 4.19Å; A362-F373 HydrophobicContact CB-CD1 4.32Å; A362-F373 HydrophobicContact CB-CD2 4.43Å; A362-F373 HydrophobicContact CB-CE1 3.82Å; A362-F373 HydrophobicContact CB-CE2 3.97Å; A362-F373 HydrophobicContact CB-CZ 3.64Å; A362-F373 PolarHBondContact N-O 3.27Å; A362-F373 WeakPolarHBondContact O-CD1 3.42Å; A362-F373 PolarHBondContact O-N 2.87Å; F371-F373 HydrophobicContact CD1-CB 4.17Å; F371-F373 AromaticContact CD1-CD1 3.93Å; F371-F373 HydrophobicContact CD1-CD1 3.93Å; F371-F373 HydrophobicContact CD1-CG 4.39Å; F371-F373 HydrophobicContact CE1-CB 3.74Å; F371-F373 HydrophobicContact CE1-CD1 4.29Å; F371-F373 HydrophobicContact CE1-CG 4.3Å; F371-F373 HydrophobicContact CZ-CB 4.33Å; F373-T375 HydrophobicContact CE2-CG2 4.35Å; F373-Q378 HydrophobicContact CD2-CB 4.47Å; F373-E379 CarbonylContact C-O 3.51Å; F373-E379 VanDerWaalsContact CA-O 3.23Å; F373-E379 WeakPolarHBondContact CA-O 3.34Å; F373-E379 VanDerWaalsContact CB-O 3.29Å; F373-E379 WeakPolarHBondContact CB-O 3.39Å |
| 374 | C | 89.8 | Confident | 86.6 | Confident | 7 Ų | 7 | 63.7 Ų | 63.7 | 5% | 0.047 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 128.7 | 170.7 | 175.9 | 0 | 0 | 0 | 0 | 109.6 | Q360 R376 Q378 E379 F381 | Q360-C374 CarbonylContact O-C 3.46Å; Q360-C374 WeakPolarHBondContact O-CA 3.42Å; Q360-C374 PolarHBondContact O-SG 3.26Å; Q360-C374 VanDerWaalsContact O-SG 3.4Å; C374-R376 PolarHBondContact O-N 2.77Å; C374-R376 VanDerWaalsContact O-N 3.15Å; C374-Q378 WeakPolarHBondContact O-CA 3.49Å; C374-Q378 PolarHBondContact O-N 3.08Å; C374-E379 PolarHBondContact N-O 2.67Å; C374-F381 HydrophobicContact CB-CD2 4.26Å |
| 375 | T | 86.6 | Confident | 85.9 | Confident | 28 Ų | 28 | 66.7 Ų | 66.7 | 17% | 0.172 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -14 | -173.7 | 54.2 | 0 | 0 | 0 | 0 | 114.7 | R344 Y355 Q360 A362 F373 | R344-T375 HydrophobicContact CG-CG2 4.4Å; Y355-T375 HydrophobicContact CD2-CG2 3.39Å; Y355-T375 HydrophobicContact CE2-CG2 3.56Å; Y355-T375 WeakPolarHBondContact CE2-OG1 3.36Å; Y355-T375 HydrophobicContact CG-CG2 4.35Å; Q360-T375 PolarHBondContact O-N 3Å; Q360-T375 PolarHBondContact O-OG1 3.49Å; A362-T375 HydrophobicContact CB-CG2 3.78Å; F373-T375 HydrophobicContact CE2-CG2 4.35Å |
| 376 | R | 85.1 | Confident | 85.4 | Confident | 125 Ų | 125 | 68.8 Ų | 68.8 | 47% | 0.472 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -35.2 | -178.2 | -65.4 | -172.1 | 177.1 | -172.2 | 0 | 114.6 | Q360 C374 T389 | Q360-R376 VanDerWaalsContact OE1-CZ 3.29Å; C374-R376 PolarHBondContact O-N 2.77Å; C374-R376 VanDerWaalsContact O-N 3.15Å; R376-T389 PolarHBondContact O-OG1 3.24Å; R376-T389 VanDerWaalsContact O-OG1 3.05Å |
| 377 | C | 84.8 | Confident | 85.1 | Confident | 21 Ų | 21 | 64 Ų | 64 | 14% | 0.142 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -24.9 | 174.1 | 49.9 | 0 | 0 | 0 | 0 | 111.9 | E379 H382 T389 | C377-E379 HydrophobicContact CB-CB 4.22Å; C377-E379 HydrophobicContact CB-CG 4.18Å; C377-E379 PolarHBondContact O-N 2.7Å; C377-H382 PolarHBondContact SG-NE2 3.44Å; C377-T389 WeakPolarHBondContact CA-OG1 3.19Å; C377-T389 WeakPolarHBondContact CB-OG1 3.35Å |
| 378 | Q | 85.4 | Confident | 84.4 | Confident | 79 Ų | 79 | 70 Ų | 70 | 37% | 0.369 | 38% | 0.38 | S | S | . | . | trans | 62.5 | 24.2 | -173.4 | -49.1 | -179.2 | 23.9 | 0 | 0 | 113.4 | R347 F373 C374 | R347-Q378 VanDerWaalsContact CD-OE1 3.22Å; R347-Q378 HydrophobicContact CG-CB 3.72Å; F373-Q378 HydrophobicContact CD2-CB 4.47Å; C374-Q378 WeakPolarHBondContact O-CA 3.49Å; C374-Q378 PolarHBondContact O-N 3.08Å | ||
| 379 | E | 85.3 | Confident | 83.4 | Confident | 105 Ų | 105 | 70.2 Ų | 70.2 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -94.5 | 166.8 | 169.5 | -70.7 | -58.3 | 146.9 | 0 | 0 | 111 | F373 C374 C377 F381 | F373-E379 CarbonylContact C-O 3.51Å; F373-E379 VanDerWaalsContact CA-O 3.23Å; F373-E379 WeakPolarHBondContact CA-O 3.34Å; F373-E379 VanDerWaalsContact CB-O 3.29Å; F373-E379 WeakPolarHBondContact CB-O 3.39Å; C374-E379 PolarHBondContact N-O 2.67Å; C377-E379 HydrophobicContact CB-CB 4.22Å; C377-E379 HydrophobicContact CB-CG 4.18Å; C377-E379 PolarHBondContact O-N 2.7Å; E379-F381 PolarHBondContact O-N 3.28Å |
| 380 | P | 88.4 | Confident | 81.9 | Confident | 68 Ų | 68 | 71.6 Ų | 71.6 | 44% | 0.442 | 39% | 0.386 | S | S | . | . | B | Isolated β-bridge | trans | -48 | 139 | 175 | -27.4 | 34 | 0 | 0 | 0 | 113 | F371 D372 H382 | F371-P380 HydrophobicContact CE2-CB 4.41Å; F371-P380 HydrophobicContact CE2-CG 4.01Å; F371-P380 HydrophobicContact CZ-CB 4.48Å; F371-P380 HydrophobicContact CZ-CG 3.92Å; D372-P380 WeakPolarHBondContact O-CA 3.13Å; P380-H382 PolarHBondContact O-CE1 3.31Å; P380-H382 PolarHBondContact O-N 3.26Å; P380-H382 PolarHBondContact O-ND1 3.23Å |
| 381 | F | 87.4 | Confident | 80.2 | Confident | 54 Ų | 54 | 75.5 Ų | 75.5 | 24% | 0.237 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 133 | -172 | 179.4 | -110.4 | 0 | 0 | 0 | 112.6 | R361 D372 C374 E379 | R361-F381 HydrophobicContact CB-CD2 3.82Å; R361-F381 HydrophobicContact CB-CE2 3.73Å; R361-F381 HydrophobicContact CB-CZ 4.42Å; R361-F381 HydrophobicContact CG-CB 4.49Å; R361-F381 HydrophobicContact CG-CD1 4.41Å; R361-F381 HydrophobicContact CG-CD2 3.61Å; R361-F381 HydrophobicContact CG-CE2 3.9Å; R361-F381 HydrophobicContact CG-CG 3.91Å; R361-F381 HydrophobicContact CG-CZ 4.4Å; D372-F381 PolarHBondContact O-N 3.01Å; D372-F381 WeakPolarHBondContact OD2-CB 3.29Å; C374-F381 HydrophobicContact CB-CD2 4.26Å; E379-F381 PolarHBondContact O-N 3.28Å |
| 382 | H | 83 | Confident | 77.9 | Confident | 46 Ų | 46 | 77.3 Ų | 77.3 | 21% | 0.213 | 41% | 0.413 | C | S | . | . | trans | -88.4 | -3.4 | -163.8 | -68.5 | -25 | 0 | 0 | 0 | 115.3 | C377 P380 S384 S385 | C377-H382 PolarHBondContact SG-NE2 3.44Å; P380-H382 PolarHBondContact O-CE1 3.31Å; P380-H382 PolarHBondContact O-N 3.26Å; P380-H382 PolarHBondContact O-ND1 3.23Å; H382-S384 PolarHBondContact O-N 2.85Å; H382-S385 WeakPolarHBondContact CB-O 3.36Å; H382-S385 WeakPolarHBondContact CB-OG 3.37Å; H382-S385 PolarHBondContact O-N 3.35Å; H382-S385 PolarHBondContact O-OG 3.08Å | ||
| 383 | S | 78.6 | Confident | 75.5 | Confident | 96 Ų | 96 | 82.8 Ų | 82.8 | 67% | 0.671 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | -101.6 | -178.7 | -63.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 384 | S | 74.3 | Confident | 72.9 | Confident | 125 Ų | 125 | 90.2 Ų | 90.2 | 87% | 0.874 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -6.3 | -179.7 | 52.2 | 0 | 0 | 0 | 0 | 114.3 | H382 | H382-S384 PolarHBondContact O-N 2.85Š|
| 385 | S | 78.1 | Confident | 70.6 | Confident | 65 Ų | 65 | 98 Ų | 98 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -89.1 | 141.2 | -178 | 64.5 | 0 | 0 | 0 | 0 | 112.3 | H382 C387 | H382-S385 WeakPolarHBondContact CB-O 3.36Å; H382-S385 WeakPolarHBondContact CB-OG 3.37Å; H382-S385 PolarHBondContact O-N 3.35Å; H382-S385 PolarHBondContact O-OG 3.08Å; S385-C387 PolarHBondContact O-N 2.88Å |
| 386 | P | 76.4 | Confident | 68.3 | Low | 109 Ų | 109 | 102 Ų | 102 | 71% | 0.708 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 132.2 | -178.7 | 27.7 | -34.2 | 0 | 0 | 0 | 111.3 | R388 | P386-R388 PolarHBondContact O-N 3Š|
| 387 | C | 80.9 | Confident | 66 | Low | 15 Ų | 15 | 99.1 Ų | 99.1 | 10% | 0.101 | 54% | 0.544 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 123.3 | 177.8 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | S385 T389 V390 | S385-C387 PolarHBondContact O-N 2.88Å; C387-T389 PolarHBondContact O-N 2.92Å; C387-T389 VanDerWaalsContact O-N 3.14Å; C387-V390 HydrophobicContact CB-CG2 4.17Å; C387-V390 CarbonylContact O-C 3.59Å; C387-V390 VanDerWaalsContact O-C 3.28Å; C387-V390 VanDerWaalsContact O-CA 3.28Å; C387-V390 WeakPolarHBondContact O-CA 3.43Å; C387-V390 WeakPolarHBondContact O-CB 3.46Å; C387-V390 PolarHBondContact O-N 3.24Å; C387-V390 VanDerWaalsContact O-O 3.05Å |
| 388 | R | 70.6 | Confident | 63.9 | Low | 228 Ų | 228 | 104.1 Ų | 104.1 | 86% | 0.86 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -27.9 | -175.2 | -65.4 | -174.6 | 177.7 | -158.1 | -0.1 | 114.4 | P386 V390 | P386-R388 PolarHBondContact O-N 3Å; R388-V390 VanDerWaalsContact C-N 3.26Å; R388-V390 PolarHBondContact O-N 3.33Å |
| 389 | T | 67 | Low | 62 | Low | 93 Ų | 93 | 105.6 Ų | 105.6 | 57% | 0.571 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -31.9 | 172.7 | -37.6 | 0 | 0 | 0 | 0 | 111.6 | R376 C377 C387 K391 | R376-T389 PolarHBondContact O-OG1 3.24Å; R376-T389 VanDerWaalsContact O-OG1 3.05Å; C377-T389 WeakPolarHBondContact CA-OG1 3.19Å; C377-T389 WeakPolarHBondContact CB-OG1 3.35Å; C387-T389 PolarHBondContact O-N 2.92Å; C387-T389 VanDerWaalsContact O-N 3.14Å; T389-K391 VanDerWaalsContact C-N 3.31Å; T389-K391 PolarHBondContact O-N 3.43Å |
| 390 | V | 57.5 | Low | 60.4 | Low | 57 Ų | 57 | 110.5 Ų | 110.5 | 35% | 0.345 | 61% | 0.614 | S | S | . | * | trans | -84.8 | 77.4 | 167.2 | -168.3 | 0 | 0 | 0 | 0 | 107.7 | C387 R388 P392 | C387-V390 HydrophobicContact CB-CG2 4.17Å; C387-V390 CarbonylContact O-C 3.59Å; C387-V390 VanDerWaalsContact O-C 3.28Å; C387-V390 VanDerWaalsContact O-CA 3.28Å; C387-V390 WeakPolarHBondContact O-CA 3.43Å; C387-V390 WeakPolarHBondContact O-CB 3.46Å; C387-V390 PolarHBondContact O-N 3.24Å; C387-V390 VanDerWaalsContact O-O 3.05Å; R388-V390 VanDerWaalsContact C-N 3.26Å; R388-V390 PolarHBondContact O-N 3.33Å; V390-P392 WeakPolarHBondContact O-CD 3.43Å; V390-P392 VanDerWaalsContact O-N 3.17Å | ||
| 391 | K | 52.3 | Low | 58.8 | Low | 189 Ų | 189 | 113.5 Ų | 113.5 | 82% | 0.822 | 62% | 0.622 | S | S | * | * | trans | -62.7 | 110.8 | 153.5 | -76 | -174.3 | 178.4 | 180 | 0 | 106.4 | T389 H393 | T389-K391 VanDerWaalsContact C-N 3.31Å; T389-K391 PolarHBondContact O-N 3.43Å; K391-H393 PolarHBondContact O-N 3.06Å | ||
| 392 | P | 42.3 | Very low | 57.6 | Low | 73 Ų | 73 | 116 Ų | 116 | 47% | 0.474 | 64% | 0.642 | S | S | . | * | trans | -62.7 | 130 | 164.4 | 29.7 | -33.6 | 0 | 0 | 0 | 106.6 | V390 F394 | V390-P392 WeakPolarHBondContact O-CD 3.43Å; V390-P392 VanDerWaalsContact O-N 3.17Å; P392-F394 HydrophobicContact CB-CD2 3.55Å; P392-F394 HydrophobicContact CB-CE2 3.57Å; P392-F394 HydrophobicContact CB-CG 4.28Å; P392-F394 HydrophobicContact CB-CZ 4.31Å; P392-F394 HydrophobicContact CG-CD2 3.53Å; P392-F394 HydrophobicContact CG-CE2 3.72Å; P392-F394 PolarHBondContact O-N 2.72Å | ||
| 393 | H | 39.9 | Very low | 56.6 | Low | 151 Ų | 151 | 119.2 Ų | 119.2 | 70% | 0.699 | 67% | 0.667 | S | S | * | * | trans | -76.7 | 52.6 | 175.4 | -164.8 | -73.9 | 0 | 0 | 0 | 110.5 | K391 H395 | K391-H393 PolarHBondContact O-N 3.06Å; H393-H395 AromaticContact CE1-CE1 3.51Å; H393-H395 AromaticContact CE1-ND1 3.75Å; H393-H395 AromaticContact CE1-NE2 3.81Å; H393-H395 AromaticContact ND1-CD2 3.77Å; H393-H395 AromaticContact ND1-CE1 3.64Å; H393-H395 AromaticContact ND1-NE2 3.45Å; H393-H395 PolarHBondContact ND1-NE2 3.39Å; H393-H395 PolarHBondContact O-CD2 2.91Å; H393-H395 PolarHBondContact O-N 3.23Å | ||
| 394 | F | 36.9 | Very low | 55.8 | Low | 161 Ų | 161 | 119.1 Ų | 119.1 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | trans | -67.3 | 114 | 163.3 | -68 | -52.2 | 0 | 0 | 0 | 107.3 | P392 S396 | P392-F394 HydrophobicContact CB-CD2 3.55Å; P392-F394 HydrophobicContact CB-CE2 3.57Å; P392-F394 HydrophobicContact CB-CG 4.28Å; P392-F394 HydrophobicContact CB-CZ 4.31Å; P392-F394 HydrophobicContact CG-CD2 3.53Å; P392-F394 HydrophobicContact CG-CE2 3.72Å; P392-F394 PolarHBondContact O-N 2.72Å; F394-S396 WeakPolarHBondContact O-CB 3.47Å; F394-S396 PolarHBondContact O-N 3.3Å; F394-S396 PolarHBondContact O-OG 3.39Å | ||
| 395 | H | 42 | Very low | 55.7 | Low | 171 Ų | 171 | 119 Ų | 119 | 79% | 0.792 | 65% | 0.647 | S | S | * | * | trans | -60.4 | 94.7 | -177.3 | -66.4 | -105.4 | 0 | 0 | 0 | 109.6 | H393 | H393-H395 AromaticContact CE1-CE1 3.51Å; H393-H395 AromaticContact CE1-ND1 3.75Å; H393-H395 AromaticContact CE1-NE2 3.81Å; H393-H395 AromaticContact ND1-CD2 3.77Å; H393-H395 AromaticContact ND1-CE1 3.64Å; H393-H395 AromaticContact ND1-NE2 3.45Å; H393-H395 PolarHBondContact ND1-NE2 3.39Å; H393-H395 PolarHBondContact O-CD2 2.91Å; H393-H395 PolarHBondContact O-N 3.23Å | ||
| 396 | S | 38.1 | Very low | 54.5 | Low | 112 Ų | 112 | 121.6 Ų | 121.6 | 78% | 0.783 | 66% | 0.662 | S | S | * | * | trans | -120.7 | 83.4 | -169.3 | 39.7 | 0 | 0 | 0 | 0 | 110.4 | F394 | F394-S396 WeakPolarHBondContact O-CB 3.47Å; F394-S396 PolarHBondContact O-N 3.3Å; F394-S396 PolarHBondContact O-OG 3.39Å | ||
| 397 | G | 36 | Very low | 54 | Low | 64 Ų | 64 | 118.2 Ų | 118.2 | 66% | 0.66 | 65% | 0.647 | S | S | * | * | trans | 84.8 | 128.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S399 | G397-S399 PolarHBondContact O-N 2.97Š| ||
| 398 | P | 42.5 | Very low | 53.8 | Low | 125 Ų | 125 | 119.2 Ų | 119.2 | 81% | 0.812 | 65% | 0.654 | S | S | * | * | trans | -69 | 113.6 | 164.1 | 28.9 | -31.1 | 0 | 0 | 0 | 108.8 | K400 | P398-K400 PolarHBondContact O-N 2.96Š| ||
| 399 | S | 44.7 | Very low | 53.9 | Low | 110 Ų | 110 | 111.4 Ų | 111.4 | 77% | 0.769 | 64% | 0.638 | S | S | * | * | trans | -54.3 | 137.5 | 159.5 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | G397 E401 | G397-S399 PolarHBondContact O-N 2.97Å; S399-E401 PolarHBondContact O-N 3.46Å | ||
| 400 | K | 51.9 | Low | 54 | Low | 208 Ų | 208 | 113.3 Ų | 113.3 | 90% | 0.904 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -75.6 | 33.6 | -167.1 | -63.4 | -177.5 | 179.8 | 176.7 | 0 | 114.3 | P398 T402 | P398-K400 PolarHBondContact O-N 2.96Å; K400-T402 PolarHBondContact O-N 3.15Å |
| 401 | E | 54.9 | Low | 54.8 | Low | 131 Ų | 131 | 111.9 Ų | 111.9 | 61% | 0.612 | 63% | 0.627 | S | S | * | * | trans | -79.1 | 110 | 168.1 | -174.7 | 144.1 | -132.1 | 0 | 0 | 109.3 | S399 R410 | S399-E401 PolarHBondContact O-N 3.46Å; E401-R410 IonicContact OE1-CZ 3.19Å; E401-R410 IonicContact OE1-NH1 3.72Å; E401-R410 PolarHBondContact OE1-NH1 3.48Å; E401-R410 IonicContact OE1-NH2 2.87Å; E401-R410 PolarHBondContact OE1-NH2 3.46Å | ||
| 402 | T | 61.8 | Low | 55.8 | Low | 107 Ų | 107 | 109.2 Ų | 109.2 | 66% | 0.656 | 62% | 0.616 | S | S | * | * | trans | -63.8 | 135.3 | -179.5 | 46.8 | 0 | 0 | 0 | 0 | 110.6 | K400 I404 | K400-T402 PolarHBondContact O-N 3.15Å; T402-I404 PolarHBondContact O-N 2.81Å | ||
| 403 | P | 62.4 | Low | 57.2 | Low | 113 Ų | 113 | 114.7 Ų | 114.7 | 73% | 0.734 | 63% | 0.627 | S | S | * | * | trans | -59.5 | 127.9 | -179.7 | 24.1 | -33.4 | 0 | 0 | 0 | 109.6 | I405 | P403-I405 PolarHBondContact O-N 2.96Š| ||
| 404 | I | 61.7 | Low | 58.3 | Low | 94 Ų | 94 | 112.9 Ų | 112.9 | 48% | 0.482 | 62% | 0.622 | S | S | . | * | trans | -72.1 | 92.7 | -173.2 | -58.1 | 179.3 | 0 | 0 | 0 | 109.2 | T402 | T402-I404 PolarHBondContact O-N 2.81Š| ||
| 405 | I | 72.4 | Confident | 59.8 | Low | 124 Ų | 124 | 109.9 Ų | 109.9 | 64% | 0.636 | 62% | 0.617 | S | S | * | * | trans | -57.3 | 128.7 | 179 | -54.8 | 178.9 | 0 | 0 | 0 | 109.2 | P403 G407 S408 | P403-I405 PolarHBondContact O-N 2.96Å; I405-G407 PolarHBondContact O-N 3.06Å; I405-S408 WeakPolarHBondContact O-CB 3.27Å; I405-S408 PolarHBondContact O-N 3.45Å; I405-S408 PolarHBondContact O-OG 2.85Å | ||
| 406 | P | 52.6 | Low | 60.6 | Low | 118 Ų | 118 | 110.7 Ų | 110.7 | 77% | 0.766 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | 131.5 | 174.6 | -28 | 35.9 | 0 | 0 | 0 | 111.8 | S408 | P406-S408 VanDerWaalsContact C-N 3.3Å; P406-S408 PolarHBondContact O-N 3.41Å |
| 407 | G | 64.4 | Low | 61.6 | Low | 38 Ų | 38 | 115.8 Ų | 115.8 | 39% | 0.392 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 82.1 | -2.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | I405 S411 K412 | I405-G407 PolarHBondContact O-N 3.06Å; G407-S411 PolarHBondContact N-OG 3Å; G407-K412 WeakPolarHBondContact O-CD 3.34Å; G407-K412 WeakPolarHBondContact O-CE 3.47Å; G407-K412 PolarHBondContact O-NZ 3.06Å |
| 408 | S | 77.7 | Confident | 62.1 | Low | 36 Ų | 36 | 122.6 Ų | 122.6 | 25% | 0.252 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -59.2 | 161.6 | 166.2 | 63.1 | 0 | 0 | 0 | 0 | 112.2 | I405 P406 R410 S411 K412 | I405-S408 WeakPolarHBondContact O-CB 3.27Å; I405-S408 PolarHBondContact O-N 3.45Å; I405-S408 PolarHBondContact O-OG 2.85Å; P406-S408 VanDerWaalsContact C-N 3.3Å; P406-S408 PolarHBondContact O-N 3.41Å; S408-R410 PolarHBondContact O-N 3Å; S408-S411 WeakPolarHBondContact O-CB 3.5Å; S408-S411 PolarHBondContact O-N 3.31Å; S408-S411 VanDerWaalsContact OG-CB 3.31Å; S408-S411 WeakPolarHBondContact OG-CB 3.48Å; S408-S411 PolarHBondContact OG-N 3.32Å; S408-K412 PolarHBondContact O-N 2.96Å |
| 409 | A | 71.9 | Confident | 63.1 | Low | 64 Ų | 64 | 122.5 Ų | 122.5 | 53% | 0.529 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -61.1 | -32.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | R413 | A409-R413 WeakPolarHBondContact O-CG 3.21Å; A409-R413 PolarHBondContact O-N 2.99Å; A409-R413 VanDerWaalsContact O-N 3.15Å |
| 410 | R | 70.5 | Confident | 64.1 | Low | 133 Ų | 133 | 123.2 Ų | 123.2 | 50% | 0.502 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -69.3 | -44.9 | 175.2 | -153 | 176.1 | -174.1 | -148.7 | 1 | 110.8 | E401 S408 R413 N414 | E401-R410 IonicContact OE1-CZ 3.19Å; E401-R410 IonicContact OE1-NH1 3.72Å; E401-R410 PolarHBondContact OE1-NH1 3.48Å; E401-R410 IonicContact OE1-NH2 2.87Å; E401-R410 PolarHBondContact OE1-NH2 3.46Å; S408-R410 PolarHBondContact O-N 3Å; R410-R413 PolarHBondContact O-N 3.47Å; R410-N414 PolarHBondContact O-N 2.68Å |
| 411 | S | 74.7 | Confident | 64.8 | Low | 27 Ų | 27 | 118.4 Ų | 118.4 | 19% | 0.189 | 61% | 0.609 | C | S | . | * | H | α-helix | trans | -57 | -52 | 171.9 | 169.5 | 0 | 0 | 0 | 0 | 112.1 | G407 S408 R413 N414 V415 | G407-S411 PolarHBondContact N-OG 3Å; S408-S411 WeakPolarHBondContact O-CB 3.5Å; S408-S411 PolarHBondContact O-N 3.31Å; S408-S411 VanDerWaalsContact OG-CB 3.31Å; S408-S411 WeakPolarHBondContact OG-CB 3.48Å; S408-S411 PolarHBondContact OG-N 3.32Å; S411-R413 VanDerWaalsContact C-N 3.33Å; S411-R413 PolarHBondContact O-N 3.27Å; S411-N414 PolarHBondContact O-N 2.75Å; S411-V415 PolarHBondContact O-N 3.01Å; S411-V415 VanDerWaalsContact O-N 3.13Å |
| 412 | K | 73.1 | Confident | 65.3 | Low | 133 Ų | 133 | 117.7 Ų | 117.7 | 58% | 0.578 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.2 | -31.4 | -177.9 | -76.1 | 169.2 | 172.1 | 151.5 | 0 | 114.1 | G407 S408 K416 | G407-K412 WeakPolarHBondContact O-CD 3.34Å; G407-K412 WeakPolarHBondContact O-CE 3.47Å; G407-K412 PolarHBondContact O-NZ 3.06Å; S408-K412 PolarHBondContact O-N 2.96Å; K412-K416 PolarHBondContact O-N 3.26Å |
| 413 | R | 70.8 | Confident | 65.6 | Low | 189 Ų | 189 | 118.4 Ų | 118.4 | 71% | 0.713 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.2 | -31.7 | 172.8 | -76.1 | 178.7 | -174.9 | 139.2 | -0.3 | 112.8 | A409 R410 S411 | A409-R413 WeakPolarHBondContact O-CG 3.21Å; A409-R413 PolarHBondContact O-N 2.99Å; A409-R413 VanDerWaalsContact O-N 3.15Å; R410-R413 PolarHBondContact O-N 3.47Å; S411-R413 VanDerWaalsContact C-N 3.33Å; S411-R413 PolarHBondContact O-N 3.27Å |
| 414 | N | 62.8 | Low | 65.8 | Low | 113 Ų | 113 | 118.7 Ų | 118.7 | 60% | 0.604 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74.7 | -40.3 | 178.2 | -126.1 | 38.5 | 0 | 0 | 0 | 112 | R410 S411 K416 R417 | R410-N414 PolarHBondContact O-N 2.68Å; S411-N414 PolarHBondContact O-N 2.75Å; N414-K416 PolarHBondContact O-N 3.21Å; N414-R417 PolarHBondContact O-N 3.48Å |
| 415 | V | 68.8 | Low | 66.1 | Low | 98 Ų | 98 | 120.5 Ų | 120.5 | 59% | 0.594 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.6 | -25 | 176 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | S411 R417 | S411-V415 PolarHBondContact O-N 3.01Å; S411-V415 VanDerWaalsContact O-N 3.13Å; V415-R417 PolarHBondContact O-N 3.12Å |
| 416 | K | 59.4 | Low | 65.6 | Low | 188 Ų | 188 | 120.2 Ų | 120.2 | 82% | 0.817 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 4.8 | 171.8 | -78.9 | -164.5 | 172 | -164.4 | 0 | 114.9 | K412 N414 | K412-K416 PolarHBondContact O-N 3.26Å; N414-K416 PolarHBondContact O-N 3.21Å |
| 417 | R | 57.6 | Low | 66.7 | Low | 218 Ų | 218 | 120.4 Ų | 120.4 | 82% | 0.823 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | 8.3 | 175.7 | -76.7 | -178.1 | 161.8 | -171.4 | -6.6 | 112.8 | N414 V415 | N414-R417 PolarHBondContact O-N 3.48Å; V415-R417 PolarHBondContact O-N 3.12Å |
| 418 | L | 48.1 | Very low | 66.9 | Low | 208 Ų | 208 | 127.9 Ų | 127.9 | 100% | 1.089 | 61% | 0.608 | S | S | * | * | trans | -114.1 | 0 | 169.3 | -62.9 | 173.4 | 0 | 0 | 0 | 108.1 |
Retrieved 418 of 418 residues in 475.9 ms
(Link to these results)