| 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 | 48.1 | Very low | 54.5 | Low | 236 Ų | 236 | 157.5 Ų | 157.5 | 100% | 1.163 | 87% | 0.874 | S | S | * | * | 0 | 129.3 | 0 | -69.2 | -165 | 178.4 | 0 | 0 | 107.8 | |||||
| 2 | H | 48.7 | Very low | 55.3 | Low | 182 Ų | 182 | 153.6 Ų | 153.6 | 84% | 0.843 | 87% | 0.865 | S | S | * | * | trans | 56.6 | 105 | 177 | -64.6 | -46 | 0 | 0 | 0 | 117.6 | ||||
| 3 | E | 54.5 | Low | 55.7 | Low | 195 Ų | 195 | 153.9 Ų | 153.9 | 91% | 0.911 | 86% | 0.859 | S | S | * | * | 62.6 | 122.1 | 58.2 | -67.6 | -118.9 | 150.6 | 0 | 0 | 115.9 | |||||
| 4 | G | 51.5 | Low | 55.1 | Low | 59 Ų | 59 | 150.4 Ų | 150.4 | 61% | 0.608 | 85% | 0.848 | S | S | * | * | trans | 115.5 | 99.4 | 138.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 5 | N | 62.2 | Low | 54.3 | Low | 173 Ų | 173 | 148.1 Ų | 148.1 | 93% | 0.925 | 85% | 0.845 | S | S | * | * | 152.7 | 123.6 | 98 | -78.5 | -26.8 | 0 | 0 | 0 | 113.5 | |||||
| 6 | L | 52 | Low | 53.8 | Low | 178 Ų | 178 | 147 Ų | 147 | 93% | 0.932 | 85% | 0.849 | S | S | * | * | trans | -85 | 143.7 | 162.1 | -76.9 | 153.8 | 0 | 0 | 0 | 109.2 | ||||
| 7 | S | 64 | Low | 53.2 | Low | 124 Ų | 124 | 146.1 Ų | 146.1 | 87% | 0.867 | 85% | 0.854 | S | S | * | * | trans | -147.2 | 127.4 | 158.2 | -158.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 8 | T | 52.3 | Low | 52.9 | Low | 127 Ų | 127 | 142.6 Ų | 142.6 | 78% | 0.779 | 85% | 0.854 | S | S | * | * | trans | -87.2 | 138.5 | -175.5 | -22.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 9 | R | 57.6 | Low | 52.1 | Low | 246 Ų | 246 | 142.6 Ų | 142.6 | 93% | 0.928 | 85% | 0.849 | S | S | * | * | trans | -162.6 | 133.7 | 145 | -139 | 167.8 | 163.6 | -167.8 | -6 | 113.8 | ||||
| 10 | T | 60.3 | Low | 51.9 | Low | 129 Ų | 129 | 141.5 Ų | 141.5 | 79% | 0.791 | 85% | 0.848 | S | S | * | * | trans | -94.8 | 153.9 | -175.1 | 42.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 11 | G | 48.4 | Very low | 51.3 | Low | 84 Ų | 84 | 141.4 Ų | 141.4 | 87% | 0.866 | 84% | 0.844 | S | S | * | * | trans | 80.4 | 110.2 | 134.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 12 | S | 64.2 | Low | 51.4 | Low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | trans | -137.5 | 135.3 | -178.8 | -168.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 13 | M | 59.8 | Low | 51.1 | Low | 158 Ų | 158 | 136.4 Ų | 136.4 | 78% | 0.778 | 83% | 0.828 | S | S | * | * | trans | 74.3 | 113 | 152.6 | -52.4 | -112.6 | 96.5 | 0 | 0 | 119.4 | ||||
| 14 | C | 48.5 | Very low | 50.7 | Low | 105 Ų | 105 | 134.6 Ų | 134.6 | 71% | 0.709 | 82% | 0.823 | S | S | * | * | 73.4 | 102.1 | 82.8 | -66.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 15 | S | 42.7 | Very low | 50.5 | Low | 116 Ų | 116 | 137.9 Ų | 137.9 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | 73.3 | 117.3 | 91.2 | -60.5 | 0 | 0 | 0 | 0 | 116 | |||||
| 16 | S | 46.2 | Very low | 49.7 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | -179.4 | 143.2 | 134.2 | -82.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 17 | S | 43.3 | Very low | 49.7 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 92% | 0.923 | 80% | 0.799 | S | S | * | * | trans | -77.9 | 162.8 | -171.3 | -51.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 18 | G | 47.7 | Very low | 48.9 | Very low | 83 Ų | 83 | 135 Ų | 135 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -173.7 | 99.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 19 | N | 38.1 | Very low | 48.9 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | trans | -94.1 | 138.3 | 175.2 | -165 | 16 | 0 | 0 | 0 | 109.2 | ||||
| 20 | S | 47.7 | Very low | 48.6 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -157.6 | 108.4 | 165.5 | -79.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 21 | N | 40.5 | Very low | 47.9 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | trans | -69.1 | 140.4 | 165.1 | -74.9 | -30.9 | 0 | 0 | 0 | 110.2 | ||||
| 22 | N | 49.4 | Very low | 47.9 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | trans | -149.5 | 126 | 150.4 | -95.1 | -27.7 | 0 | 0 | 0 | 111 | ||||
| 23 | N | 42.5 | Very low | 47.1 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -61.4 | 155.5 | 175.5 | -66.1 | -44 | 0 | 0 | 0 | 112.3 | ||||
| 24 | I | 45.6 | Very low | 46.7 | Very low | 157 Ų | 157 | 138.2 Ų | 138.2 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | 170.9 | 96.4 | 144 | -86.5 | 150.3 | 0 | 0 | 0 | 106.4 | ||||
| 25 | I | 48.4 | Very low | 46.8 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | 79.8 | 113.6 | 89.7 | -73.1 | 171.3 | 0 | 0 | 0 | 113.6 | |||||
| 26 | K | 44.8 | Very low | 46.8 | Very low | 181 Ų | 181 | 138.9 Ų | 138.9 | 79% | 0.787 | 79% | 0.787 | S | S | * | * | trans | 74 | 111.7 | 141.5 | -77.4 | 174.7 | -168.1 | 173.4 | 0 | 120.2 | ||||
| 27 | I | 52.8 | Low | 46.9 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 52% | 0.523 | 78% | 0.782 | S | S | . | * | 154.4 | 125.2 | 105.7 | -81.9 | 137.2 | 0 | 0 | 0 | 110.6 | R29 | I27-R29 HydrophobicContact CG2-CB 3.82Å; I27-R29 HydrophobicContact CG2-CG 3.44Å; I27-R29 VanDerWaalsContact CG2-CG 3.44Å | |||
| 28 | P | 46.5 | Very low | 46.8 | Very low | 133 Ų | 133 | 140.6 Ų | 140.6 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -86.9 | 119.6 | 158.1 | 33.2 | -24.3 | 0 | 0 | 0 | 108.8 | ||||
| 29 | R | 52.4 | Low | 46.7 | Very low | 201 Ų | 201 | 146.4 Ų | 146.4 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | trans | -142.8 | 132.3 | 172.9 | -93.5 | 177.4 | -172 | 134.1 | -0.4 | 106.3 | I27 | I27-R29 HydrophobicContact CG2-CB 3.82Å; I27-R29 HydrophobicContact CG2-CG 3.44Å; I27-R29 VanDerWaalsContact CG2-CG 3.44Å | ||
| 30 | R | 51.2 | Low | 46.7 | Very low | 233 Ų | 233 | 144.9 Ų | 144.9 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | cis | -166.4 | 134.5 | 13.2 | -154.7 | 175 | 163.5 | -151.6 | -4.9 | 106.5 | ||||
| 31 | T | 45.6 | Very low | 46.4 | Very low | 125 Ų | 125 | 143.7 Ų | 143.7 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | trans | -71.1 | 121.9 | 162.5 | 41.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 32 | S | 48 | Very low | 46.5 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -91.8 | 113.9 | 170.5 | 54.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 33 | V | 48.6 | Very low | 46.3 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | trans | -76.8 | 133.7 | -178.7 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 34 | T | 49.8 | Very low | 46.2 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | trans | -66.1 | 139.8 | 169.6 | 41.5 | 0 | 0 | 0 | 0 | 110.8 | V36 | T34-V36 PolarHBondContact O-N 2.83Å; T34-V36 VanDerWaalsContact O-N 3.15Å | ||
| 35 | P | 52.2 | Low | 46 | Very low | 124 Ų | 124 | 141 Ų | 141 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | trans | -77.2 | 103.2 | 165.4 | 29 | -26.3 | 0 | 0 | 0 | 108.8 | T37 | P35-T37 PolarHBondContact O-N 2.74Š| ||
| 36 | V | 41.4 | Very low | 45.7 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 67% | 0.667 | 77% | 0.771 | S | S | * | * | trans | -74.4 | 108.9 | 158.6 | 167.5 | 0 | 0 | 0 | 0 | 107.2 | T34 Q38 | T34-V36 PolarHBondContact O-N 2.83Å; T34-V36 VanDerWaalsContact O-N 3.15Å; V36-Q38 HydrophobicContact CG1-CG 3.85Å | ||
| 37 | T | 48.6 | Very low | 45.6 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -95.5 | 90.5 | 167.6 | -36.6 | 0 | 0 | 0 | 0 | 108.2 | P35 | P35-T37 PolarHBondContact O-N 2.74Š| ||
| 38 | Q | 40.8 | Very low | 45 | Very low | 167 Ų | 167 | 142 Ų | 142 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | -80.8 | 120.2 | 160.1 | -79 | 176.7 | -24.2 | 0 | 0 | 108.6 | V36 | V36-Q38 HydrophobicContact CG1-CG 3.85Š| ||
| 39 | K | 46.2 | Very low | 44.9 | Very low | 206 Ų | 206 | 144.6 Ų | 144.6 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | trans | -135.5 | 100.4 | 146.2 | -84.2 | -166.9 | 176.6 | -179.8 | 0 | 109 | ||||
| 40 | S | 38.9 | Very low | 44.1 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -68.1 | 131.9 | 158 | 174 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 41 | S | 40.5 | Very low | 43.4 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | 154.3 | 137 | 105.9 | 67.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 42 | L | 42.2 | Very low | 42.8 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | trans | 104.5 | 88.3 | 158.7 | -66.2 | 136.9 | 0 | 0 | 0 | 117.5 | ||||
| 43 | A | 44.8 | Very low | 42.2 | Very low | 86 Ų | 86 | 134.9 Ų | 134.9 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | -72.5 | -173.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 44 | P | 41.8 | Very low | 41.9 | Very low | 106 Ų | 106 | 136 Ų | 136 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | cis | -143.9 | 162.3 | 7.9 | 34.1 | -10.3 | 0 | 0 | 0 | 118.8 | ||||
| 45 | Q | 40.7 | Very low | 41.1 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | 52.8 | 126 | 135.9 | -65.3 | -178.4 | 2.2 | 0 | 0 | 122.5 | ||||
| 46 | S | 41.8 | Very low | 40.7 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | -172.4 | 109 | 117.3 | -167.2 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 47 | S | 42.7 | Very low | 40.4 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | 76 | 112.2 | 108.3 | 90.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 48 | R | 40.6 | Very low | 40.3 | Very low | 230 Ų | 230 | 138.6 Ų | 138.6 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | 109.9 | 137.9 | 61.2 | -103.2 | -171.7 | -175.8 | 176 | 1.9 | 109.8 | |||||
| 49 | K | 44.5 | Very low | 40.1 | Very low | 188 Ų | 188 | 135.2 Ų | 135.2 | 82% | 0.817 | 76% | 0.763 | S | S | * | * | trans | 87.9 | 110.3 | 163.8 | -62.1 | 170.2 | 179.2 | -175.2 | 0 | 115 | ||||
| 50 | S | 35.5 | Very low | 39.6 | Very low | 99 Ų | 99 | 133 Ų | 133 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | cis | 96.7 | 139 | 47.4 | 76.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 51 | L | 37.1 | Very low | 39.7 | Very low | 150 Ų | 150 | 133 Ų | 133 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 89.2 | 100.8 | 152.2 | -106.9 | 61 | 0 | 0 | 0 | 118.8 | ||||
| 52 | C | 31.5 | Very low | 39.5 | Very low | 90 Ų | 90 | 135.5 Ų | 135.5 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | 67.8 | 119.7 | 112.7 | -60.2 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 53 | N | 36.1 | Very low | 39.3 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | 68.6 | 127.5 | 132 | -50 | -6.6 | 0 | 0 | 0 | 117.2 | ||||
| 54 | N | 43.3 | Very low | 38.8 | Very low | 151 Ų | 151 | 136 Ų | 136 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | -176.8 | 107.7 | 115.4 | -81.3 | -16.2 | 0 | 0 | 0 | 110.6 | |||||
| 55 | T | 32.7 | Very low | 38.6 | Very low | 139 Ų | 139 | 136 Ų | 136 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -63 | 125.6 | 156.3 | -56.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 56 | T | 42.4 | Very low | 38.9 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | trans | -146.3 | 105.2 | 161.4 | -44.7 | 0 | 0 | 0 | 0 | 110.4 | I58 | T56-I58 HydrophobicContact CG2-CD1 4.43Å; T56-I58 HydrophobicContact CG2-CG1 4.21Å | ||
| 57 | T | 35.9 | Very low | 39.1 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | trans | -58.4 | 122.3 | 157.7 | 22.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 58 | I | 46.3 | Very low | 39.7 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | trans | -152 | 98.3 | 155.4 | -49.1 | -180 | 0 | 0 | 0 | 105.6 | T56 | T56-I58 HydrophobicContact CG2-CD1 4.43Å; T56-I58 HydrophobicContact CG2-CG1 4.21Å | ||
| 59 | S | 36.6 | Very low | 40.5 | Very low | 96 Ų | 96 | 127.5 Ų | 127.5 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | 63.7 | 110.5 | 89.7 | -174.1 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 60 | L | 36.7 | Very low | 41.5 | Very low | 158 Ų | 158 | 122.8 Ų | 122.8 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | trans | 17.7 | 125.4 | 150.1 | -66.1 | 104.1 | 0 | 0 | 0 | 120 | ||||
| 61 | S | 39.5 | Very low | 42.9 | Very low | 113 Ų | 113 | 121.9 Ų | 121.9 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | 176.9 | 128.2 | 113.8 | 37 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 62 | N | 37.3 | Very low | 44.3 | Very low | 146 Ų | 146 | 121.3 Ų | 121.3 | 78% | 0.781 | 71% | 0.712 | S | S | * | * | trans | 35.9 | 125.3 | 144.6 | -62.5 | 0.2 | 0 | 0 | 0 | 122.7 | ||||
| 63 | E | 37.5 | Very low | 46 | Very low | 183 Ų | 183 | 121.5 Ų | 121.5 | 86% | 0.855 | 71% | 0.707 | S | S | * | * | trans | 43.9 | 95.1 | 131.4 | -65.1 | -178.1 | 149.2 | 0 | 0 | 118.4 | ||||
| 64 | A | 34 | Very low | 47.6 | Very low | 84 Ų | 84 | 123.4 Ų | 123.4 | 69% | 0.694 | 70% | 0.704 | S | S | * | * | trans | -169.8 | 123.1 | 134.6 | 0 | 0 | 0 | 0 | 0 | 109 | T66 | A64-T66 PolarHBondContact O-N 3.35Š| ||
| 65 | A | 39.3 | Very low | 48.6 | Very low | 104 Ų | 104 | 125 Ų | 125 | 86% | 0.86 | 70% | 0.699 | S | S | * | * | trans | 23.8 | 75.3 | 154 | 0 | 0 | 0 | 0 | 0 | 115.9 | S67 | A65-S67 VanDerWaalsContact C-N 3.32Å; A65-S67 PolarHBondContact O-N 3.36Å | ||
| 66 | T | 45.1 | Very low | 50.1 | Low | 117 Ų | 117 | 122.9 Ų | 122.9 | 72% | 0.718 | 68% | 0.68 | S | S | * | * | trans | -79.6 | 87.2 | -178.9 | 55.5 | 0 | 0 | 0 | 0 | 110.1 | A64 F68 | A64-T66 PolarHBondContact O-N 3.35Å; T66-F68 PolarHBondContact O-N 3.24Å; T66-F68 VanDerWaalsContact O-N 3.14Å | ||
| 67 | S | 47.2 | Very low | 51.2 | Low | 104 Ų | 104 | 120.6 Ų | 120.6 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | trans | -40.6 | 121.5 | 151.1 | 56.5 | 0 | 0 | 0 | 0 | 108.1 | A65 S69 | A65-S67 VanDerWaalsContact C-N 3.32Å; A65-S67 PolarHBondContact O-N 3.36Å; S67-S69 PolarHBondContact O-N 3.24Å | ||
| 68 | F | 54.1 | Low | 52.6 | Low | 171 Ų | 171 | 118.2 Ų | 118.2 | 75% | 0.75 | 65% | 0.654 | S | S | * | * | trans | -62 | 93.2 | 174.8 | -83.7 | -92.5 | 0 | 0 | 0 | 107.4 | T66 S70 | T66-F68 PolarHBondContact O-N 3.24Å; T66-F68 VanDerWaalsContact O-N 3.14Å; F68-S70 PolarHBondContact O-N 2.89Å | ||
| 69 | S | 58.3 | Low | 53.2 | Low | 54 Ų | 54 | 117.2 Ų | 117.2 | 38% | 0.378 | 65% | 0.649 | S | S | . | * | trans | -54.3 | 128.7 | -178.1 | 172.3 | 0 | 0 | 0 | 0 | 108.7 | S67 D71 K72 L73 | S67-S69 PolarHBondContact O-N 3.24Å; S69-D71 PolarHBondContact O-N 3.25Å; S69-D71 PolarHBondContact OG-N 3.23Å; S69-K72 PolarHBondContact O-N 3.09Å; S69-L73 PolarHBondContact O-N 3.23Å | ||
| 70 | S | 66.3 | Low | 54.3 | Low | 88 Ų | 88 | 118.2 Ų | 118.2 | 62% | 0.615 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -50 | -26.5 | 176.7 | 57.3 | 0 | 0 | 0 | 0 | 111.8 | F68 L73 R74 | F68-S70 PolarHBondContact O-N 2.89Å; S70-L73 PolarHBondContact O-N 2.9Å; S70-R74 WeakPolarHBondContact O-CB 3.24Å; S70-R74 PolarHBondContact O-N 3.43Å |
| 71 | D | 64.9 | Low | 55.3 | Low | 81 Ų | 81 | 112.9 Ų | 112.9 | 43% | 0.433 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.8 | -33.1 | 175.1 | -74.3 | -37 | 0 | 0 | 0 | 114 | S69 R74 R75 | S69-D71 PolarHBondContact O-N 3.25Å; S69-D71 PolarHBondContact OG-N 3.23Å; D71-R74 PolarHBondContact O-N 3.24Å; D71-R75 WeakPolarHBondContact O-CB 3.49Å; D71-R75 VanDerWaalsContact O-CG 3.22Å; D71-R75 WeakPolarHBondContact O-CG 3.4Å; D71-R75 PolarHBondContact O-N 3.05Å |
| 72 | K | 66 | Low | 56.4 | Low | 137 Ų | 137 | 114.1 Ų | 114.1 | 60% | 0.596 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.8 | -43 | 172.2 | -76.2 | -174.1 | 179.2 | 179.5 | 0 | 110.6 | S69 R74 R75 M76 | S69-K72 PolarHBondContact O-N 3.09Å; K72-R74 VanDerWaalsContact C-N 3.34Å; K72-R75 PolarHBondContact O-N 3.33Å; K72-M76 WeakPolarHBondContact O-CG 3.37Å; K72-M76 PolarHBondContact O-N 3.33Å |
| 73 | L | 66.3 | Low | 58 | Low | 95 Ų | 95 | 110.3 Ų | 110.3 | 50% | 0.497 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.2 | -40 | 173.3 | -77.3 | 168.5 | 0 | 0 | 0 | 111.6 | S69 S70 M76 S77 | S69-L73 PolarHBondContact O-N 3.23Å; S70-L73 PolarHBondContact O-N 2.9Å; L73-M76 HydrophobicContact CD2-CE 3.81Å; L73-M76 PolarHBondContact O-N 3.11Å; L73-S77 WeakPolarHBondContact O-CB 3.16Å; L73-S77 PolarHBondContact O-N 3.27Å |
| 74 | R | 70.3 | Confident | 59.4 | Low | 178 Ų | 178 | 110.4 Ų | 110.4 | 67% | 0.672 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.8 | -41.4 | 175.8 | -170.1 | 175.7 | 178.5 | 177.2 | 0.6 | 111.7 | S70 D71 K72 S77 V78 | S70-R74 WeakPolarHBondContact O-CB 3.24Å; S70-R74 PolarHBondContact O-N 3.43Å; D71-R74 PolarHBondContact O-N 3.24Å; K72-R74 VanDerWaalsContact C-N 3.34Å; R74-S77 WeakPolarHBondContact O-CB 3.28Å; R74-S77 PolarHBondContact O-N 3.15Å; R74-V78 WeakPolarHBondContact O-CG2 3.17Å; R74-V78 PolarHBondContact O-N 2.95Å |
| 75 | R | 65 | Low | 61.2 | Low | 185 Ų | 185 | 110 Ų | 110 | 70% | 0.698 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.4 | -41.5 | 174.8 | -73.4 | 178 | -155.2 | -151.5 | 6.6 | 112.4 | D71 K72 S77 V78 L79 | D71-R75 WeakPolarHBondContact O-CB 3.49Å; D71-R75 VanDerWaalsContact O-CG 3.22Å; D71-R75 WeakPolarHBondContact O-CG 3.4Å; D71-R75 PolarHBondContact O-N 3.05Å; K72-R75 PolarHBondContact O-N 3.33Å; R75-S77 VanDerWaalsContact C-N 3.35Å; R75-V78 PolarHBondContact O-N 3.08Å; R75-L79 PolarHBondContact O-N 2.78Å; R75-L79 VanDerWaalsContact O-N 3.14Å |
| 76 | M | 64.2 | Low | 62.8 | Low | 93 Ų | 93 | 111 Ų | 111 | 46% | 0.458 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.5 | -41.7 | 172 | -70.4 | -164.9 | -52.9 | 0 | 0 | 111.4 | K72 L73 V78 L79 F80 | K72-M76 WeakPolarHBondContact O-CG 3.37Å; K72-M76 PolarHBondContact O-N 3.33Å; L73-M76 HydrophobicContact CD2-CE 3.81Å; L73-M76 PolarHBondContact O-N 3.11Å; M76-V78 VanDerWaalsContact C-N 3.29Å; M76-V78 PolarHBondContact O-N 3.07Å; M76-L79 WeakPolarHBondContact O-CB 3.28Å; M76-L79 PolarHBondContact O-N 2.84Å; M76-F80 WeakPolarHBondContact O-CD2 3.44Å; M76-F80 PolarHBondContact O-N 3.25Å |
| 77 | S | 65.6 | Low | 64 | Low | 65 Ų | 65 | 106.4 Ų | 106.4 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.6 | -37 | 174.6 | -179.9 | 0 | 0 | 0 | 0 | 112.4 | L73 R74 R75 F80 S81 | L73-S77 WeakPolarHBondContact O-CB 3.16Å; L73-S77 PolarHBondContact O-N 3.27Å; R74-S77 WeakPolarHBondContact O-CB 3.28Å; R74-S77 PolarHBondContact O-N 3.15Å; R75-S77 VanDerWaalsContact C-N 3.35Å; S77-F80 CarbonylContact O-C 3.56Å; S77-F80 PolarHBondContact O-N 3.35Å; S77-S81 VanDerWaalsContact O-CB 3.29Å; S77-S81 WeakPolarHBondContact O-CB 3.39Å; S77-S81 PolarHBondContact O-N 3.44Å; S77-S81 PolarHBondContact O-OG 3.2Å |
| 78 | V | 64.7 | Low | 65.1 | Low | 80 Ų | 80 | 110.1 Ų | 110.1 | 49% | 0.485 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 173.1 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | R74 R75 M76 F80 S81 I82 | R74-V78 WeakPolarHBondContact O-CG2 3.17Å; R74-V78 PolarHBondContact O-N 2.95Å; R75-V78 PolarHBondContact O-N 3.08Å; M76-V78 VanDerWaalsContact C-N 3.29Å; M76-V78 PolarHBondContact O-N 3.07Å; V78-F80 VanDerWaalsContact C-N 3.32Å; V78-F80 PolarHBondContact O-N 3.04Å; V78-S81 WeakPolarHBondContact O-CA 3.34Å; V78-S81 WeakPolarHBondContact O-CB 3.31Å; V78-S81 PolarHBondContact O-N 3.44Å; V78-I82 PolarHBondContact O-N 2.8Å |
| 79 | L | 59.6 | Low | 65.8 | Low | 129 Ų | 129 | 108.6 Ų | 108.6 | 68% | 0.675 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.9 | -35.6 | 175.2 | -68.5 | 169.7 | 0 | 0 | 0 | 112.4 | R75 M76 S81 | R75-L79 PolarHBondContact O-N 2.78Å; R75-L79 VanDerWaalsContact O-N 3.14Å; M76-L79 WeakPolarHBondContact O-CB 3.28Å; M76-L79 PolarHBondContact O-N 2.84Å; L79-S81 VanDerWaalsContact C-N 3.31Å |
| 80 | F | 58.8 | Low | 66.3 | Low | 117 Ų | 117 | 110.1 Ų | 110.1 | 51% | 0.513 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -77.4 | -13.6 | 170.2 | -69.6 | -71.5 | 0 | 0 | 0 | 113.8 | M76 S77 V78 A87 | M76-F80 WeakPolarHBondContact O-CD2 3.44Å; M76-F80 PolarHBondContact O-N 3.25Å; S77-F80 CarbonylContact O-C 3.56Å; S77-F80 PolarHBondContact O-N 3.35Å; V78-F80 VanDerWaalsContact C-N 3.32Å; V78-F80 PolarHBondContact O-N 3.04Å; F80-A87 HydrophobicContact CB-CB 4.38Å; F80-A87 HydrophobicContact CD1-CB 3.85Å |
| 81 | S | 58.3 | Low | 66.5 | Low | 47 Ų | 47 | 109.9 Ų | 109.9 | 33% | 0.329 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -88.7 | -23.8 | -177.6 | -66.1 | 0 | 0 | 0 | 0 | 113.9 | S77 V78 L79 D83 | S77-S81 VanDerWaalsContact O-CB 3.29Å; S77-S81 WeakPolarHBondContact O-CB 3.39Å; S77-S81 PolarHBondContact O-N 3.44Å; S77-S81 PolarHBondContact O-OG 3.2Å; V78-S81 WeakPolarHBondContact O-CA 3.34Å; V78-S81 WeakPolarHBondContact O-CB 3.31Å; V78-S81 PolarHBondContact O-N 3.44Å; L79-S81 VanDerWaalsContact C-N 3.31Å; S81-D83 PolarHBondContact O-N 3.37Å |
| 82 | I | 62.4 | Low | 66.7 | Low | 138 Ų | 138 | 111.3 Ų | 111.3 | 71% | 0.708 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -30.6 | -178.2 | -68.2 | 166.2 | 0 | 0 | 0 | 111.2 | V78 | V78-I82 PolarHBondContact O-N 2.8Š|
| 83 | D | 71.2 | Confident | 66.7 | Low | 66 Ų | 66 | 107.4 Ų | 107.4 | 35% | 0.353 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.9 | 67.3 | 173.6 | -162.4 | -16.8 | 0 | 0 | 0 | 109.8 | S81 S85 K86 A87 | S81-D83 PolarHBondContact O-N 3.37Å; D83-S85 PolarHBondContact O-N 3.49Å; D83-S85 VanDerWaalsContact O-N 3.11Å; D83-S85 PolarHBondContact OD1-OG 2.95Å; D83-K86 HydrophobicContact CB-CB 3.92Å; D83-K86 PolarHBondContact O-N 3.02Å; D83-K86 VanDerWaalsContact OD1-CB 3.28Å; D83-K86 WeakPolarHBondContact OD1-CB 3.16Å; D83-K86 PolarHBondContact OD1-N 2.86Å; D83-K86 WeakPolarHBondContact OD2-CB 3.27Å; D83-K86 VanDerWaalsContact OD2-CD 3.24Å; D83-K86 WeakPolarHBondContact OD2-CD 3.48Å; D83-A87 WeakPolarHBondContact O-CB 3.39Å; D83-A87 PolarHBondContact O-N 3.44Å |
| 84 | R | 66.9 | Low | 66.8 | Low | 186 Ų | 186 | 108.4 Ų | 108.4 | 70% | 0.702 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -51 | -36.1 | -179.8 | -79.5 | -170 | 177.5 | 168.3 | -1 | 112.5 | R88 | R84-R88 WeakPolarHBondContact O-CB 3.43Å; R84-R88 PolarHBondContact O-N 3.06Å |
| 85 | S | 72.2 | Confident | 67 | Low | 75 Ų | 75 | 106.2 Ų | 106.2 | 52% | 0.524 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.2 | -58.4 | 174.2 | 23 | 0 | 0 | 0 | 0 | 111.3 | D83 A87 R88 E89 | D83-S85 PolarHBondContact O-N 3.49Å; D83-S85 VanDerWaalsContact O-N 3.11Å; D83-S85 PolarHBondContact OD1-OG 2.95Å; S85-A87 PolarHBondContact O-N 3.42Å; S85-R88 PolarHBondContact O-N 3.19Å; S85-E89 WeakPolarHBondContact O-CG 3.34Å; S85-E89 PolarHBondContact O-N 2.61Å |
| 86 | K | 71.2 | Confident | 67.7 | Low | 125 Ų | 125 | 99.7 Ų | 99.7 | 54% | 0.543 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.4 | -39.3 | -177.8 | -168.6 | 175.2 | -175.6 | 177.9 | 0 | 112.4 | D83 R88 E89 V90 | D83-K86 HydrophobicContact CB-CB 3.92Å; D83-K86 PolarHBondContact O-N 3.02Å; D83-K86 VanDerWaalsContact OD1-CB 3.28Å; D83-K86 WeakPolarHBondContact OD1-CB 3.16Å; D83-K86 PolarHBondContact OD1-N 2.86Å; D83-K86 WeakPolarHBondContact OD2-CB 3.27Å; D83-K86 VanDerWaalsContact OD2-CD 3.24Å; D83-K86 WeakPolarHBondContact OD2-CD 3.48Å; K86-R88 VanDerWaalsContact C-N 3.33Å; K86-R88 PolarHBondContact O-N 3Å; K86-E89 PolarHBondContact O-N 3.39Å; K86-V90 WeakPolarHBondContact O-CB 3.37Å; K86-V90 VanDerWaalsContact O-CG2 3.25Å; K86-V90 WeakPolarHBondContact O-CG2 3.2Å; K86-V90 PolarHBondContact O-N 2.92Å |
| 87 | A | 70.3 | Confident | 68.6 | Low | 20 Ų | 20 | 98.1 Ų | 98.1 | 17% | 0.165 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -59 | -44.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F80 D83 S85 V90 I91 | F80-A87 HydrophobicContact CB-CB 4.38Å; F80-A87 HydrophobicContact CD1-CB 3.85Å; D83-A87 WeakPolarHBondContact O-CB 3.39Å; D83-A87 PolarHBondContact O-N 3.44Å; S85-A87 PolarHBondContact O-N 3.42Å; A87-V90 PolarHBondContact O-N 2.85Å; A87-I91 WeakPolarHBondContact O-CB 3.47Å; A87-I91 WeakPolarHBondContact O-CD1 3.3Å; A87-I91 VanDerWaalsContact O-CG1 3.24Å; A87-I91 WeakPolarHBondContact O-CG1 3.4Å; A87-I91 PolarHBondContact O-N 3.44Å |
| 88 | R | 70.9 | Confident | 69.7 | Low | 183 Ų | 183 | 100 Ų | 100 | 69% | 0.691 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66 | -42.7 | 176.5 | -175.6 | -179.7 | -180 | -145.3 | -0.1 | 111.5 | R84 S85 K86 I91 M92 | R84-R88 WeakPolarHBondContact O-CB 3.43Å; R84-R88 PolarHBondContact O-N 3.06Å; S85-R88 PolarHBondContact O-N 3.19Å; K86-R88 VanDerWaalsContact C-N 3.33Å; K86-R88 PolarHBondContact O-N 3Å; R88-I91 PolarHBondContact O-N 3.49Å; R88-M92 HydrophobicContact CG-CG 4.22Å; R88-M92 VanDerWaalsContact O-CB 3.32Å; R88-M92 WeakPolarHBondContact O-CB 3.4Å; R88-M92 WeakPolarHBondContact O-CG 3.44Å; R88-M92 PolarHBondContact O-N 3.4Å |
| 89 | E | 69 | Low | 70.9 | Confident | 139 Ų | 139 | 96.8 Ų | 96.8 | 65% | 0.65 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.1 | -44.8 | 175.6 | -75 | 175 | -176.8 | 0 | 0 | 111.7 | S85 K86 M92 A93 | S85-E89 WeakPolarHBondContact O-CG 3.34Å; S85-E89 PolarHBondContact O-N 2.61Å; K86-E89 PolarHBondContact O-N 3.39Å; E89-M92 PolarHBondContact O-N 2.83Å; E89-A93 VanDerWaalsContact O-CB 3.31Å; E89-A93 WeakPolarHBondContact O-CB 3.47Å; E89-A93 PolarHBondContact O-N 2.89Å |
| 90 | V | 69.2 | Low | 72.3 | Confident | 86 Ų | 86 | 93.2 Ų | 93.2 | 52% | 0.521 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63 | -46 | 176.1 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | K86 A87 M92 A93 V94 | K86-V90 WeakPolarHBondContact O-CB 3.37Å; K86-V90 VanDerWaalsContact O-CG2 3.25Å; K86-V90 WeakPolarHBondContact O-CG2 3.2Å; K86-V90 PolarHBondContact O-N 2.92Å; A87-V90 PolarHBondContact O-N 2.85Å; V90-M92 PolarHBondContact O-N 3.35Å; V90-A93 PolarHBondContact O-N 3.47Å; V90-V94 HydrophobicContact CG1-CG2 4.43Å; V90-V94 WeakPolarHBondContact O-CB 3.35Å; V90-V94 VanDerWaalsContact O-CG2 3.25Å; V90-V94 WeakPolarHBondContact O-CG2 3.32Å; V90-V94 PolarHBondContact O-N 3.39Å |
| 91 | I | 70.5 | Confident | 73.8 | Confident | 83 Ų | 83 | 90.7 Ų | 90.7 | 43% | 0.426 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 177.3 | -69.3 | 164.7 | 0 | 0 | 0 | 110.8 | A87 R88 A93 V94 L95 | A87-I91 WeakPolarHBondContact O-CB 3.47Å; A87-I91 WeakPolarHBondContact O-CD1 3.3Å; A87-I91 VanDerWaalsContact O-CG1 3.24Å; A87-I91 WeakPolarHBondContact O-CG1 3.4Å; A87-I91 PolarHBondContact O-N 3.44Å; R88-I91 PolarHBondContact O-N 3.49Å; I91-A93 VanDerWaalsContact C-N 3.31Å; I91-A93 PolarHBondContact O-N 3.19Å; I91-V94 PolarHBondContact O-N 2.87Å; I91-L95 HydrophobicContact CG2-CD1 3.77Å; I91-L95 HydrophobicContact CG2-CG 4.27Å; I91-L95 WeakPolarHBondContact O-CB 3.29Å; I91-L95 VanDerWaalsContact O-CG 3.3Å; I91-L95 WeakPolarHBondContact O-CG 3.32Å; I91-L95 PolarHBondContact O-N 2.9Å |
| 92 | M | 67.9 | Low | 75.4 | Confident | 110 Ų | 110 | 91.3 Ų | 91.3 | 54% | 0.542 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 178 | -71.3 | -59.3 | -57.4 | 0 | 0 | 111.6 | R88 E89 V90 L95 E96 | R88-M92 HydrophobicContact CG-CG 4.22Å; R88-M92 VanDerWaalsContact O-CB 3.32Å; R88-M92 WeakPolarHBondContact O-CB 3.4Å; R88-M92 WeakPolarHBondContact O-CG 3.44Å; R88-M92 PolarHBondContact O-N 3.4Å; E89-M92 PolarHBondContact O-N 2.83Å; V90-M92 PolarHBondContact O-N 3.35Å; M92-L95 CarbonylContact O-C 3.56Å; M92-L95 PolarHBondContact O-N 3.29Å; M92-E96 WeakPolarHBondContact O-CB 3.38Å; M92-E96 PolarHBondContact O-N 2.85Å |
| 93 | A | 66.5 | Low | 76.9 | Confident | 56 Ų | 56 | 84.9 Ų | 84.9 | 46% | 0.463 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.3 | -36 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E89 V90 I91 E96 | E89-A93 VanDerWaalsContact O-CB 3.31Å; E89-A93 WeakPolarHBondContact O-CB 3.47Å; E89-A93 PolarHBondContact O-N 2.89Å; V90-A93 PolarHBondContact O-N 3.47Å; I91-A93 VanDerWaalsContact C-N 3.31Å; I91-A93 PolarHBondContact O-N 3.19Å; A93-E96 WeakPolarHBondContact O-CB 3.37Å; A93-E96 PolarHBondContact O-N 3.46Å |
| 94 | V | 67.7 | Low | 77.9 | Confident | 115 Ų | 115 | 84.4 Ų | 84.4 | 70% | 0.697 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -70.6 | -33.7 | 175.2 | 169.7 | 0 | 0 | 0 | 0 | 111.8 | V90 I91 E96 | V90-V94 HydrophobicContact CG1-CG2 4.43Å; V90-V94 WeakPolarHBondContact O-CB 3.35Å; V90-V94 VanDerWaalsContact O-CG2 3.25Å; V90-V94 WeakPolarHBondContact O-CG2 3.32Å; V90-V94 PolarHBondContact O-N 3.39Å; I91-V94 PolarHBondContact O-N 2.87Å; V94-E96 VanDerWaalsContact C-N 3.33Å |
| 95 | L | 75.3 | Confident | 79.2 | Confident | 132 Ų | 132 | 81 Ų | 81 | 69% | 0.691 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -86.5 | -4.8 | 175.8 | -66 | 177.6 | 0 | 0 | 0 | 113.1 | I91 M92 | I91-L95 HydrophobicContact CG2-CD1 3.77Å; I91-L95 HydrophobicContact CG2-CG 4.27Å; I91-L95 WeakPolarHBondContact O-CB 3.29Å; I91-L95 VanDerWaalsContact O-CG 3.3Å; I91-L95 WeakPolarHBondContact O-CG 3.32Å; I91-L95 PolarHBondContact O-N 2.9Å; M92-L95 CarbonylContact O-C 3.56Å; M92-L95 PolarHBondContact O-N 3.29Å |
| 96 | E | 79.3 | Confident | 80.3 | Confident | 49 Ų | 49 | 77.4 Ų | 77.4 | 23% | 0.229 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -69.1 | 139.3 | 177.7 | -176.2 | 160.2 | -159.1 | 0 | 0 | 109.9 | M92 A93 V94 R100 K104 | M92-E96 WeakPolarHBondContact O-CB 3.38Å; M92-E96 PolarHBondContact O-N 2.85Å; A93-E96 WeakPolarHBondContact O-CB 3.37Å; A93-E96 PolarHBondContact O-N 3.46Å; V94-E96 VanDerWaalsContact C-N 3.33Å; E96-R100 HydrophobicContact CG-CB 3.86Å; E96-R100 VanDerWaalsContact OE1-CB 3.32Å; E96-R100 WeakPolarHBondContact OE1-CB 3.15Å; E96-K104 WeakPolarHBondContact OE1-CE 3.42Å; E96-K104 IonicContact OE1-NZ 2.73Å; E96-K104 PolarHBondContact OE1-NZ 3.49Å; E96-K104 IonicContact OE2-NZ 2.61Å; E96-K104 PolarHBondContact OE2-NZ 3.48Å |
| 97 | D | 83.5 | Confident | 81.4 | Confident | 59 Ų | 59 | 73.1 Ų | 73.1 | 32% | 0.316 | 38% | 0.376 | S | S | . | . | trans | -55.2 | 126.8 | 176.3 | -171.9 | -54.9 | 0 | 0 | 0 | 109.6 | A99 R100 T101 I207 | D97-A99 PolarHBondContact O-N 3.37Å; D97-A99 VanDerWaalsContact OD1-CB 3.27Å; D97-A99 WeakPolarHBondContact OD1-CB 3.49Å; D97-A99 PolarHBondContact OD1-N 3.23Å; D97-R100 HydrophobicContact CB-CB 4.43Å; D97-R100 HydrophobicContact CB-CG 4.11Å; D97-R100 WeakPolarHBondContact O-CA 3.49Å; D97-R100 WeakPolarHBondContact O-CB 3.24Å; D97-R100 PolarHBondContact O-N 3.31Å; D97-T101 PolarHBondContact O-N 2.82Å; D97-I207 HydrophobicContact CB-CD1 4.17Å; D97-I207 VanDerWaalsContact OD2-CD1 3.28Å; D97-I207 WeakPolarHBondContact OD2-CD1 3.44Å | ||
| 98 | P | 87.8 | Confident | 82.4 | Confident | 105 Ų | 105 | 73.2 Ų | 73.2 | 68% | 0.682 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -51.6 | -33.7 | -179.6 | -28.2 | 34.9 | 0 | 0 | 0 | 113.7 | R100 T101 E102 | P98-R100 VanDerWaalsContact C-N 3.31Å; P98-R100 PolarHBondContact O-N 2.87Å; P98-T101 PolarHBondContact O-N 3.12Å; P98-E102 VanDerWaalsContact O-CB 3.29Å; P98-E102 WeakPolarHBondContact O-CB 3.38Å; P98-E102 PolarHBondContact O-N 2.98Å |
| 99 | A | 89.9 | Confident | 83.4 | Confident | 13 Ų | 13 | 66.3 Ų | 66.3 | 11% | 0.107 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.4 | -34.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D97 F103 I207 L210 N214 | D97-A99 PolarHBondContact O-N 3.37Å; D97-A99 VanDerWaalsContact OD1-CB 3.27Å; D97-A99 WeakPolarHBondContact OD1-CB 3.49Å; D97-A99 PolarHBondContact OD1-N 3.23Å; A99-F103 VanDerWaalsContact O-CB 3.31Å; A99-F103 WeakPolarHBondContact O-CB 3.29Å; A99-F103 PolarHBondContact O-N 3.45Å; A99-I207 HydrophobicContact CB-CG2 4.35Å; A99-L210 HydrophobicContact CB-CB 4.18Å; A99-N214 PolarHBondContact O-ND2 2.99Å |
| 100 | R | 90.5 | Very high | 84.6 | Confident | 53 Ų | 53 | 60.4 Ų | 60.4 | 20% | 0.2 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.7 | -45.4 | 177.2 | -69.5 | -176.8 | 175 | -71.3 | -13.1 | 111.7 | E96 D97 P98 E102 F103 K104 C202 Y205 I207 L210 | E96-R100 HydrophobicContact CG-CB 3.86Å; E96-R100 VanDerWaalsContact OE1-CB 3.32Å; E96-R100 WeakPolarHBondContact OE1-CB 3.15Å; D97-R100 HydrophobicContact CB-CB 4.43Å; D97-R100 HydrophobicContact CB-CG 4.11Å; D97-R100 WeakPolarHBondContact O-CA 3.49Å; D97-R100 WeakPolarHBondContact O-CB 3.24Å; D97-R100 PolarHBondContact O-N 3.31Å; P98-R100 VanDerWaalsContact C-N 3.31Å; P98-R100 PolarHBondContact O-N 2.87Å; R100-E102 VanDerWaalsContact C-N 3.33Å; R100-E102 PolarHBondContact O-N 3.36Å; R100-F103 PolarHBondContact O-N 3.21Å; R100-K104 WeakPolarHBondContact O-CG 3.5Å; R100-K104 PolarHBondContact O-N 2.94Å; R100-C202 PolarHBondContact NH1-O 2.92Å; R100-Y205 PolarHBondContact NH2-O 3.38Å; R100-Y205 VanDerWaalsContact NH2-O 3.09Å; R100-I207 HydrophobicContact CG-CD1 4.38Å; R100-L210 HydrophobicContact CB-CD1 4.39Å; R100-L210 HydrophobicContact CG-CD1 3.43Å; R100-L210 VanDerWaalsContact CG-CD1 3.43Å |
| 101 | T | 89.2 | Confident | 85.7 | Confident | 65 Ų | 65 | 58.2 Ų | 58.2 | 40% | 0.399 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 176.8 | -59 | 0 | 0 | 0 | 0 | 110.7 | D97 P98 K104 R105 | D97-T101 PolarHBondContact O-N 2.82Å; P98-T101 PolarHBondContact O-N 3.12Å; T101-K104 PolarHBondContact O-N 3.03Å; T101-R105 PolarHBondContact O-N 2.83Å |
| 102 | E | 92 | Very high | 86.7 | Confident | 59 Ų | 59 | 55.9 Ų | 55.9 | 28% | 0.276 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 178.8 | -177 | 61.4 | -177.1 | 0 | 0 | 112.1 | P98 R100 K104 R105 L106 | P98-E102 VanDerWaalsContact O-CB 3.29Å; P98-E102 WeakPolarHBondContact O-CB 3.38Å; P98-E102 PolarHBondContact O-N 2.98Å; R100-E102 VanDerWaalsContact C-N 3.33Å; R100-E102 PolarHBondContact O-N 3.36Å; E102-K104 PolarHBondContact O-N 3.05Å; E102-R105 PolarHBondContact O-N 3.11Å; E102-R105 IonicContact OE1-CZ 3.39Å; E102-R105 IonicContact OE1-NE 3.46Å; E102-R105 IonicContact OE1-NH2 2.7Å; E102-R105 PolarHBondContact OE1-NH2 2.65Å; E102-R105 IonicContact OE2-CZ 3.87Å; E102-R105 IonicContact OE2-NE 3.37Å; E102-R105 PolarHBondContact OE2-NE 3.47Å; E102-R105 IonicContact OE2-NH2 3.91Å; E102-R105 PolarHBondContact OE2-NH2 2.91Å; E102-L106 HydrophobicContact CG-CD1 3.76Å; E102-L106 HydrophobicContact CG-CG 4.24Å; E102-L106 WeakPolarHBondContact O-CB 3.32Å; E102-L106 WeakPolarHBondContact O-CG 3.44Å; E102-L106 PolarHBondContact O-N 2.98Å; E102-L106 WeakPolarHBondContact OE1-CD1 3.45Å |
| 103 | F | 94.1 | Very high | 87.8 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 175.1 | 177.1 | -95.9 | 0 | 0 | 0 | 112.2 | A99 R100 R105 L106 K107 V198 M201 C202 Y205 L210 Q213 N214 L217 | A99-F103 VanDerWaalsContact O-CB 3.31Å; A99-F103 WeakPolarHBondContact O-CB 3.29Å; A99-F103 PolarHBondContact O-N 3.45Å; R100-F103 PolarHBondContact O-N 3.21Å; F103-R105 VanDerWaalsContact C-N 3.33Å; F103-R105 PolarHBondContact O-N 3.46Å; F103-L106 PolarHBondContact O-N 3.24Å; F103-K107 HydrophobicContact CE1-CB 4.46Å; F103-K107 HydrophobicContact CZ-CB 4.47Å; F103-K107 WeakPolarHBondContact O-CB 3.5Å; F103-K107 PolarHBondContact O-N 3.34Å; F103-V198 HydrophobicContact CE1-CG1 4.43Å; F103-M201 HydrophobicContact CE1-CB 4.32Å; F103-C202 HydrophobicContact CD1-CB 3.72Å; F103-C202 HydrophobicContact CE1-CB 3.96Å; F103-Y205 HydrophobicContact CE2-CD2 4.36Å; F103-Y205 HydrophobicContact CE2-CE2 4.15Å; F103-Y205 HydrophobicContact CZ-CD2 4.08Å; F103-Y205 AromaticContact CZ-CE2 3.78Å; F103-Y205 HydrophobicContact CZ-CE2 3.78Å; F103-L210 HydrophobicContact CB-CD2 3.71Å; F103-L210 HydrophobicContact CD1-CD2 3.92Å; F103-L210 HydrophobicContact CD2-CD2 3.8Å; F103-L210 HydrophobicContact CE2-CD2 4.41Å; F103-L210 HydrophobicContact CG-CD2 3.52Å; F103-Q213 HydrophobicContact CD2-CB 3.99Å; F103-Q213 HydrophobicContact CE2-CB 3.88Å; F103-Q213 HydrophobicContact CE2-CG 4.46Å; F103-N214 WeakPolarHBondContact CA-OD1 3.4Å; F103-N214 WeakPolarHBondContact CB-OD1 3.44Å; F103-N214 PolarHBondContact N-OD1 2.99Å; F103-L217 HydrophobicContact CD2-CD1 3.77Å; F103-L217 HydrophobicContact CE2-CD1 3.72Å |
| 104 | K | 92.9 | Very high | 89 | Confident | 56 Ų | 56 | 50.7 Ų | 50.7 | 24% | 0.243 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.2 | -47.4 | 178.4 | -70.8 | 173.8 | -174.7 | 174.4 | 0 | 110.7 | E96 R100 T101 E102 I108 V198 C202 | E96-K104 WeakPolarHBondContact OE1-CE 3.42Å; E96-K104 IonicContact OE1-NZ 2.73Å; E96-K104 PolarHBondContact OE1-NZ 3.49Å; E96-K104 IonicContact OE2-NZ 2.61Å; E96-K104 PolarHBondContact OE2-NZ 3.48Å; R100-K104 WeakPolarHBondContact O-CG 3.5Å; R100-K104 PolarHBondContact O-N 2.94Å; T101-K104 PolarHBondContact O-N 3.03Å; E102-K104 PolarHBondContact O-N 3.05Å; K104-I108 WeakPolarHBondContact O-CB 3.21Å; K104-I108 WeakPolarHBondContact O-CD1 3.43Å; K104-I108 VanDerWaalsContact O-CG1 3.24Å; K104-I108 WeakPolarHBondContact O-CG1 3.18Å; K104-I108 PolarHBondContact O-N 3.45Å; K104-I108 VanDerWaalsContact O-N 3.08Å; K104-V198 HydrophobicContact CB-CG1 4.14Å; K104-V198 HydrophobicContact CG-CG1 4.15Å; K104-C202 HydrophobicContact CG-CB 4.3Å |
| 105 | R | 92.8 | Very high | 90.1 | Very high | 113 Ų | 113 | 48 Ų | 48 | 43% | 0.426 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.9 | -55.9 | 178.4 | -170.1 | -166.6 | 70.4 | 71.2 | -2.2 | 111.5 | T101 E102 F103 K107 I108 E109 | T101-R105 PolarHBondContact O-N 2.83Å; E102-R105 PolarHBondContact O-N 3.11Å; E102-R105 IonicContact OE1-CZ 3.39Å; E102-R105 IonicContact OE1-NE 3.46Å; E102-R105 IonicContact OE1-NH2 2.7Å; E102-R105 PolarHBondContact OE1-NH2 2.65Å; E102-R105 IonicContact OE2-CZ 3.87Å; E102-R105 IonicContact OE2-NE 3.37Å; E102-R105 PolarHBondContact OE2-NE 3.47Å; E102-R105 IonicContact OE2-NH2 3.91Å; E102-R105 PolarHBondContact OE2-NH2 2.91Å; F103-R105 VanDerWaalsContact C-N 3.33Å; F103-R105 PolarHBondContact O-N 3.46Å; R105-K107 VanDerWaalsContact C-N 3.31Å; R105-K107 PolarHBondContact O-N 2.81Å; R105-I108 PolarHBondContact O-N 3.47Å; R105-E109 IonicContact CZ-OE2 3.45Å; R105-E109 IonicContact NH1-OE2 2.74Å; R105-E109 PolarHBondContact NH1-OE2 3.34Å; R105-E109 WeakPolarHBondContact O-CB 3.4Å; R105-E109 PolarHBondContact O-N 3.38Å |
| 106 | L | 95 | Very high | 90.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.7 | -37.9 | -178.3 | -73.9 | 173.3 | 0 | 0 | 0 | 112.9 | E102 F103 E109 N110 N214 L217 N218 N221 | E102-L106 HydrophobicContact CG-CD1 3.76Å; E102-L106 HydrophobicContact CG-CG 4.24Å; E102-L106 WeakPolarHBondContact O-CB 3.32Å; E102-L106 WeakPolarHBondContact O-CG 3.44Å; E102-L106 PolarHBondContact O-N 2.98Å; E102-L106 WeakPolarHBondContact OE1-CD1 3.45Å; F103-L106 PolarHBondContact O-N 3.24Å; L106-E109 PolarHBondContact O-N 2.96Å; L106-N110 VanDerWaalsContact O-CB 3.27Å; L106-N110 WeakPolarHBondContact O-CB 3.48Å; L106-N110 PolarHBondContact O-N 2.71Å; L106-N214 HydrophobicContact CD1-CB 3.93Å; L106-N214 WeakPolarHBondContact CD1-O 3.41Å; L106-L217 HydrophobicContact CB-CB 3.94Å; L106-L217 HydrophobicContact CB-CD1 4.1Å; L106-L217 HydrophobicContact CD1-CB 4.28Å; L106-N218 WeakPolarHBondContact CD1-ND2 3.43Å; L106-N218 WeakPolarHBondContact CD2-OD1 3.34Å; L106-N221 PolarHBondContact O-ND2 3.39Å; L106-N221 VanDerWaalsContact O-ND2 3.15Å |
| 107 | K | 94.7 | Very high | 91.3 | Very high | 35 Ų | 35 | 41 Ų | 41 | 15% | 0.152 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.7 | -38.7 | -179 | -176.2 | 58.5 | -177.2 | 140.2 | 0 | 112 | F103 R105 N110 D111 V198 L217 | F103-K107 HydrophobicContact CE1-CB 4.46Å; F103-K107 HydrophobicContact CZ-CB 4.47Å; F103-K107 WeakPolarHBondContact O-CB 3.5Å; F103-K107 PolarHBondContact O-N 3.34Å; R105-K107 VanDerWaalsContact C-N 3.31Å; R105-K107 PolarHBondContact O-N 2.81Å; K107-N110 PolarHBondContact NZ-OD1 2.97Å; K107-N110 PolarHBondContact O-N 2.78Å; K107-D111 WeakPolarHBondContact CE-OD1 3.16Å; K107-D111 IonicContact NZ-OD1 3.82Å; K107-D111 PolarHBondContact NZ-OD1 3.47Å; K107-D111 PolarHBondContact O-N 3.48Å; K107-V198 HydrophobicContact CB-CG1 3.83Å; K107-V198 HydrophobicContact CB-CG2 4.25Å; K107-V198 HydrophobicContact CG-CB 4.44Å; K107-V198 HydrophobicContact CG-CG1 3.97Å; K107-V198 HydrophobicContact CG-CG2 3.66Å; K107-L217 HydrophobicContact CB-CD1 4.08Å; K107-L217 HydrophobicContact CD-CD1 4.39Å; K107-L217 HydrophobicContact CD-CD2 4.01Å |
| 108 | I | 91.8 | Very high | 91.6 | Very high | 22 Ų | 22 | 44.8 Ų | 44.8 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.1 | -47.2 | 172.8 | -73 | 165.7 | 0 | 0 | 0 | 110.1 | K104 R105 N110 D111 C112 F168 M194 E195 V198 | K104-I108 WeakPolarHBondContact O-CB 3.21Å; K104-I108 WeakPolarHBondContact O-CD1 3.43Å; K104-I108 VanDerWaalsContact O-CG1 3.24Å; K104-I108 WeakPolarHBondContact O-CG1 3.18Å; K104-I108 PolarHBondContact O-N 3.45Å; K104-I108 VanDerWaalsContact O-N 3.08Å; R105-I108 PolarHBondContact O-N 3.47Å; I108-N110 VanDerWaalsContact C-N 3.34Å; I108-N110 PolarHBondContact O-N 3.23Å; I108-D111 PolarHBondContact O-N 2.92Å; I108-C112 PolarHBondContact O-N 3.5Å; I108-F168 HydrophobicContact CG2-CE1 3.54Å; I108-F168 HydrophobicContact CG2-CZ 3.68Å; I108-M194 HydrophobicContact CG2-CE 3.71Å; I108-E195 HydrophobicContact CD1-CG 3.82Å; I108-V198 HydrophobicContact CG1-CB 4.46Å; I108-V198 HydrophobicContact CG1-CG1 4.43Å; I108-V198 HydrophobicContact CG1-CG2 4.16Å |
| 109 | E | 92.7 | Very high | 91.8 | Very high | 39 Ų | 39 | 44 Ų | 44 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.2 | -45.5 | 175.7 | -170.9 | -168.1 | 119.7 | 0 | 0 | 111.5 | R105 L106 D111 C112 L113 N221 | R105-E109 IonicContact CZ-OE2 3.45Å; R105-E109 IonicContact NH1-OE2 2.74Å; R105-E109 PolarHBondContact NH1-OE2 3.34Å; R105-E109 WeakPolarHBondContact O-CB 3.4Å; R105-E109 PolarHBondContact O-N 3.38Å; L106-E109 PolarHBondContact O-N 2.96Å; E109-D111 PolarHBondContact O-N 3.15Å; E109-C112 WeakPolarHBondContact O-CB 3.38Å; E109-C112 PolarHBondContact O-N 3.43Å; E109-C112 VanDerWaalsContact O-N 3.17Å; E109-L113 HydrophobicContact CG-CD1 4.08Å; E109-L113 WeakPolarHBondContact O-CB 2.97Å; E109-L113 WeakPolarHBondContact O-CG 3.29Å; E109-L113 PolarHBondContact O-N 2.83Å; E109-N221 VanDerWaalsContact CD-ND2 3.33Å; E109-N221 WeakPolarHBondContact OE1-CB 3.42Å; E109-N221 PolarHBondContact OE1-ND2 3.38Å |
| 110 | N | 94.2 | Very high | 91.8 | Very high | 15 Ų | 15 | 43.5 Ų | 43.5 | 8% | 0.08 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.4 | -44.6 | 176.7 | -173.8 | -105 | 0 | 0 | 0 | 112.7 | L106 K107 I108 C112 T114 L217 S220 N221 | L106-N110 VanDerWaalsContact O-CB 3.27Å; L106-N110 WeakPolarHBondContact O-CB 3.48Å; L106-N110 PolarHBondContact O-N 2.71Å; K107-N110 PolarHBondContact NZ-OD1 2.97Å; K107-N110 PolarHBondContact O-N 2.78Å; I108-N110 VanDerWaalsContact C-N 3.34Å; I108-N110 PolarHBondContact O-N 3.23Å; N110-C112 VanDerWaalsContact C-N 3.32Å; N110-C112 PolarHBondContact O-N 3.35Å; N110-T114 WeakPolarHBondContact O-CB 3.45Å; N110-T114 PolarHBondContact O-N 3.21Å; N110-T114 PolarHBondContact O-OG1 3.34Å; N110-L217 HydrophobicContact CB-CD2 3.85Å; N110-S220 PolarHBondContact ND2-OG 2.92Å; N110-N221 WeakPolarHBondContact CA-OD1 3.4Å; N110-N221 WeakPolarHBondContact CB-OD1 3.49Å; N110-N221 PolarHBondContact ND2-OD1 3.3Å |
| 111 | D | 92.2 | Very high | 91.8 | Very high | 40 Ų | 40 | 45 Ų | 45 | 21% | 0.214 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65 | -38.2 | 177.7 | -80.1 | 5.3 | 0 | 0 | 0 | 110.9 | K107 I108 E109 S115 M194 R197 | K107-D111 WeakPolarHBondContact CE-OD1 3.16Å; K107-D111 IonicContact NZ-OD1 3.82Å; K107-D111 PolarHBondContact NZ-OD1 3.47Å; K107-D111 PolarHBondContact O-N 3.48Å; I108-D111 PolarHBondContact O-N 2.92Å; E109-D111 PolarHBondContact O-N 3.15Å; D111-S115 WeakPolarHBondContact O-CB 3.39Å; D111-S115 PolarHBondContact O-N 3.24Å; D111-M194 HydrophobicContact CB-SD 3.74Å; D111-R197 IonicContact OD2-NH1 3.12Å |
| 112 | C | 89.8 | Confident | 91.9 | Very high | 34 Ų | 34 | 49.9 Ų | 49.9 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.2 | -55.1 | 173.6 | -79.4 | 0 | 0 | 0 | 0 | 112 | I108 E109 N110 T114 S115 E116 F168 | I108-C112 PolarHBondContact O-N 3.5Å; E109-C112 WeakPolarHBondContact O-CB 3.38Å; E109-C112 PolarHBondContact O-N 3.43Å; E109-C112 VanDerWaalsContact O-N 3.17Å; N110-C112 VanDerWaalsContact C-N 3.32Å; N110-C112 PolarHBondContact O-N 3.35Å; C112-T114 VanDerWaalsContact C-N 3.3Å; C112-T114 PolarHBondContact O-N 3.11Å; C112-S115 WeakPolarHBondContact O-CB 3.24Å; C112-S115 PolarHBondContact O-N 2.94Å; C112-S115 PolarHBondContact O-OG 3.03Å; C112-E116 PolarHBondContact O-N 3.23Å; C112-F168 HydrophobicContact CB-CE2 4.37Å; C112-F168 HydrophobicContact CB-CZ 4.49Å |
| 113 | L | 91.7 | Very high | 91.8 | Very high | 16 Ų | 16 | 48.2 Ų | 48.2 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.5 | -41.3 | 178.2 | -70.2 | 169.5 | 0 | 0 | 0 | 111.9 | E109 S115 E116 W117 N221 L224 E225 L228 | E109-L113 HydrophobicContact CG-CD1 4.08Å; E109-L113 WeakPolarHBondContact O-CB 2.97Å; E109-L113 WeakPolarHBondContact O-CG 3.29Å; E109-L113 PolarHBondContact O-N 2.83Å; L113-S115 VanDerWaalsContact C-N 3.31Å; L113-S115 PolarHBondContact O-N 2.79Å; L113-E116 PolarHBondContact O-N 3.48Å; L113-W117 VanDerWaalsContact O-CB 3.26Å; L113-W117 WeakPolarHBondContact O-CB 3.25Å; L113-W117 PolarHBondContact O-N 2.97Å; L113-N221 HydrophobicContact CD1-CB 3.76Å; L113-L224 HydrophobicContact CB-CB 4.12Å; L113-L224 HydrophobicContact CB-CD1 4.13Å; L113-L224 HydrophobicContact CD1-CB 4.34Å; L113-E225 HydrophobicContact CD1-CG 3.67Å; L113-E225 HydrophobicContact CD2-CG 3.55Å; L113-E225 HydrophobicContact CG-CG 4.27Å; L113-L228 HydrophobicContact CD2-CD1 3.86Å |
| 114 | T | 91.9 | Very high | 91.7 | Very high | 40 Ų | 40 | 48 Ų | 48 | 25% | 0.245 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63 | -38.8 | 175.6 | -63.4 | 0 | 0 | 0 | 0 | 111.6 | N110 C112 K118 | N110-T114 WeakPolarHBondContact O-CB 3.45Å; N110-T114 PolarHBondContact O-N 3.21Å; N110-T114 PolarHBondContact O-OG1 3.34Å; C112-T114 VanDerWaalsContact C-N 3.3Å; C112-T114 PolarHBondContact O-N 3.11Å; T114-K118 HydrophobicContact CG2-CD 4.44Å; T114-K118 VanDerWaalsContact O-CG 3.3Å; T114-K118 WeakPolarHBondContact O-CG 3.49Å; T114-K118 PolarHBondContact O-N 3.44Å; T114-K118 VanDerWaalsContact O-N 3.09Å |
| 115 | S | 89.9 | Confident | 91.7 | Very high | 60 Ų | 60 | 46.9 Ų | 46.9 | 42% | 0.42 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.3 | -41.1 | 177 | 81.8 | 0 | 0 | 0 | 0 | 112 | D111 C112 L113 K118 Q119 | D111-S115 WeakPolarHBondContact O-CB 3.39Å; D111-S115 PolarHBondContact O-N 3.24Å; C112-S115 WeakPolarHBondContact O-CB 3.24Å; C112-S115 PolarHBondContact O-N 2.94Å; C112-S115 PolarHBondContact O-OG 3.03Å; L113-S115 VanDerWaalsContact C-N 3.31Å; L113-S115 PolarHBondContact O-N 2.79Å; S115-K118 PolarHBondContact O-N 2.99Å; S115-Q119 PolarHBondContact O-N 3.08Å |
| 116 | E | 89.4 | Confident | 91.7 | Very high | 22 Ų | 22 | 46.8 Ų | 46.8 | 10% | 0.103 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.4 | -47.5 | 176.3 | -176 | 170.9 | 165.5 | 0 | 0 | 110.8 | C112 L113 K118 Q119 V120 T160 S164 L228 | C112-E116 PolarHBondContact O-N 3.23Å; L113-E116 PolarHBondContact O-N 3.48Å; E116-K118 VanDerWaalsContact C-N 3.32Å; E116-K118 PolarHBondContact O-N 3.41Å; E116-Q119 WeakPolarHBondContact O-CA 3.31Å; E116-Q119 WeakPolarHBondContact O-CB 3.4Å; E116-Q119 PolarHBondContact O-N 3.32Å; E116-V120 HydrophobicContact CG-CG2 4.32Å; E116-V120 WeakPolarHBondContact O-CG2 3.31Å; E116-V120 PolarHBondContact O-N 3.36Å; E116-T160 HydrophobicContact CG-CG2 3.82Å; E116-S164 PolarHBondContact OE2-OG 3.15Å; E116-L228 HydrophobicContact CB-CD1 4.16Å; E116-L228 HydrophobicContact CG-CD1 3.99Å; E116-L228 HydrophobicContact CG-CD2 3.94Å |
| 117 | W | 90.4 | Very high | 91.7 | Very high | 12 Ų | 12 | 47 Ų | 47 | 5% | 0.045 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -53.9 | -45.9 | 174.3 | 172.7 | -116.8 | 0 | 0 | 0 | 112.7 | L113 Q119 V120 R121 L224 R227 L228 I231 E272 | L113-W117 VanDerWaalsContact O-CB 3.26Å; L113-W117 WeakPolarHBondContact O-CB 3.25Å; L113-W117 PolarHBondContact O-N 2.97Å; W117-Q119 VanDerWaalsContact C-N 3.33Å; W117-Q119 PolarHBondContact O-N 3.48Å; W117-V120 PolarHBondContact O-N 2.74Å; W117-R121 VanDerWaalsContact CE2-NH2 3.25Å; W117-R121 WeakPolarHBondContact O-CB 3.41Å; W117-R121 PolarHBondContact O-N 3.5Å; W117-L224 HydrophobicContact CB-CD2 3.88Å; W117-L224 HydrophobicContact CG-CD2 3.95Å; W117-R227 HydrophobicContact CE3-CG 4.16Å; W117-R227 HydrophobicContact CH2-CG 3.72Å; W117-R227 HydrophobicContact CZ3-CB 4.47Å; W117-R227 HydrophobicContact CZ3-CG 3.4Å; W117-R227 VanDerWaalsContact CZ3-CG 3.4Å; W117-L228 HydrophobicContact CB-CD2 4.47Å; W117-L228 HydrophobicContact CE3-CD2 4.21Å; W117-I231 HydrophobicContact CE3-CD1 4.26Å; W117-I231 HydrophobicContact CH2-CD1 4.24Å; W117-I231 HydrophobicContact CZ3-CD1 3.44Å; W117-I231 VanDerWaalsContact CZ3-CD1 3.44Å; W117-E272 WeakPolarHBondContact CH2-O 3.4Å; W117-E272 WeakPolarHBondContact CZ2-O 3.43Å |
| 118 | K | 91.1 | Very high | 91.7 | Very high | 138 Ų | 138 | 49.2 Ų | 49.2 | 60% | 0.6 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62 | -40.4 | 175.6 | -75.1 | 173.2 | -176.9 | 175.2 | 0 | 112 | T114 S115 E116 K122 | T114-K118 HydrophobicContact CG2-CD 4.44Å; T114-K118 VanDerWaalsContact O-CG 3.3Å; T114-K118 WeakPolarHBondContact O-CG 3.49Å; T114-K118 PolarHBondContact O-N 3.44Å; T114-K118 VanDerWaalsContact O-N 3.09Å; S115-K118 PolarHBondContact O-N 2.99Å; E116-K118 VanDerWaalsContact C-N 3.32Å; E116-K118 PolarHBondContact O-N 3.41Å; K118-K122 PolarHBondContact O-N 3.29Å |
| 119 | Q | 90.7 | Very high | 91.8 | Very high | 88 Ų | 88 | 50.3 Ų | 50.3 | 41% | 0.411 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.6 | -48 | 178 | -177.3 | 171.5 | 11.1 | 0 | 0 | 111.6 | S115 E116 W117 R121 K122 I123 T160 | S115-Q119 PolarHBondContact O-N 3.08Å; E116-Q119 WeakPolarHBondContact O-CA 3.31Å; E116-Q119 WeakPolarHBondContact O-CB 3.4Å; E116-Q119 PolarHBondContact O-N 3.32Å; W117-Q119 VanDerWaalsContact C-N 3.33Å; W117-Q119 PolarHBondContact O-N 3.48Å; Q119-R121 PolarHBondContact O-N 3.36Å; Q119-K122 WeakPolarHBondContact O-CB 3.25Å; Q119-K122 PolarHBondContact O-N 3.06Å; Q119-K122 VanDerWaalsContact O-N 3.15Å; Q119-I123 HydrophobicContact CG-CD1 4.14Å; Q119-I123 WeakPolarHBondContact O-CG1 3.13Å; Q119-I123 PolarHBondContact O-N 3.37Å; Q119-T160 PolarHBondContact NE2-OG1 2.88Å |
| 120 | V | 89.9 | Confident | 91.9 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 176.8 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | E116 W117 K122 I123 L124 I157 L228 I231 | E116-V120 HydrophobicContact CG-CG2 4.32Å; E116-V120 WeakPolarHBondContact O-CG2 3.31Å; E116-V120 PolarHBondContact O-N 3.36Å; W117-V120 PolarHBondContact O-N 2.74Å; V120-K122 VanDerWaalsContact C-N 3.31Å; V120-K122 PolarHBondContact O-N 3.44Å; V120-I123 WeakPolarHBondContact O-CB 3.49Å; V120-I123 PolarHBondContact O-N 2.86Å; V120-I123 VanDerWaalsContact O-N 3.11Å; V120-L124 HydrophobicContact CG1-CD1 4.23Å; V120-L124 HydrophobicContact CG1-CG 4.45Å; V120-L124 WeakPolarHBondContact O-CG 3.25Å; V120-L124 PolarHBondContact O-N 2.89Å; V120-I157 HydrophobicContact CB-CD1 4.47Å; V120-I157 HydrophobicContact CG1-CD1 4.15Å; V120-I157 HydrophobicContact CG2-CD1 3.87Å; V120-L228 HydrophobicContact CB-CD2 4.2Å; V120-L228 HydrophobicContact CG2-CD2 3.8Å; V120-I231 HydrophobicContact CG1-CB 4.29Å; V120-I231 HydrophobicContact CG1-CD1 3.67Å; V120-I231 HydrophobicContact CG1-CG2 3.63Å |
| 121 | R | 90.6 | Very high | 92 | Very high | 85 Ų | 85 | 49.8 Ų | 49.8 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.5 | -42.1 | 174.8 | -176.2 | -173.5 | -66.2 | -174.8 | -8.2 | 112.2 | W117 Q119 I123 L124 G125 N273 | W117-R121 VanDerWaalsContact CE2-NH2 3.25Å; W117-R121 WeakPolarHBondContact O-CB 3.41Å; W117-R121 PolarHBondContact O-N 3.5Å; Q119-R121 PolarHBondContact O-N 3.36Å; R121-I123 VanDerWaalsContact C-N 3.31Å; R121-I123 PolarHBondContact O-N 3.48Å; R121-L124 PolarHBondContact O-N 3.45Å; R121-G125 PolarHBondContact O-N 3.11Å; R121-N273 PolarHBondContact NH1-OD1 2.82Å; R121-N273 PolarHBondContact NH2-OD1 3.37Å |
| 122 | K | 91.3 | Very high | 92.1 | Very high | 168 Ų | 168 | 52.1 Ų | 52.1 | 73% | 0.73 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62 | -41.2 | 176.8 | -173.4 | -178.7 | 178.6 | -177.4 | 0 | 111.3 | K118 Q119 V120 G125 Q126 | K118-K122 PolarHBondContact O-N 3.29Å; Q119-K122 WeakPolarHBondContact O-CB 3.25Å; Q119-K122 PolarHBondContact O-N 3.06Å; Q119-K122 VanDerWaalsContact O-N 3.15Å; V120-K122 VanDerWaalsContact C-N 3.31Å; V120-K122 PolarHBondContact O-N 3.44Å; K122-G125 PolarHBondContact O-N 2.87Å; K122-Q126 PolarHBondContact O-N 3.36Å |
| 123 | I | 91.4 | Very high | 92.4 | Very high | 23 Ų | 23 | 55.2 Ų | 55.2 | 12% | 0.118 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64 | -45.2 | 176.4 | -64.5 | 158.5 | 0 | 0 | 0 | 110.7 | Q119 V120 R121 Q126 L127 I153 H156 I157 | Q119-I123 HydrophobicContact CG-CD1 4.14Å; Q119-I123 WeakPolarHBondContact O-CG1 3.13Å; Q119-I123 PolarHBondContact O-N 3.37Å; V120-I123 WeakPolarHBondContact O-CB 3.49Å; V120-I123 PolarHBondContact O-N 2.86Å; V120-I123 VanDerWaalsContact O-N 3.11Å; R121-I123 VanDerWaalsContact C-N 3.31Å; R121-I123 PolarHBondContact O-N 3.48Å; I123-Q126 PolarHBondContact O-N 2.91Å; I123-L127 PolarHBondContact O-N 2.89Å; I123-I153 HydrophobicContact CG2-CB 4.34Å; I123-I153 HydrophobicContact CG2-CD1 3.93Å; I123-I153 HydrophobicContact CG2-CG1 3.67Å; I123-H156 HydrophobicContact CD1-CB 3.69Å; I123-H156 HydrophobicContact CG1-CB 4.1Å; I123-H156 HydrophobicContact CG2-CB 4.33Å; I123-I157 HydrophobicContact CD1-CD1 4.17Å |
| 124 | L | 92.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 176.9 | -70.4 | 177.2 | 0 | 0 | 0 | 112.3 | V120 R121 Q126 L127 Q128 I153 I231 I264 L270 Y271 | V120-L124 HydrophobicContact CG1-CD1 4.23Å; V120-L124 HydrophobicContact CG1-CG 4.45Å; V120-L124 WeakPolarHBondContact O-CG 3.25Å; V120-L124 PolarHBondContact O-N 2.89Å; R121-L124 PolarHBondContact O-N 3.45Å; L124-Q126 VanDerWaalsContact C-N 3.31Å; L124-Q126 PolarHBondContact O-N 3.14Å; L124-L127 WeakPolarHBondContact O-CB 3.41Å; L124-L127 PolarHBondContact O-N 3.06Å; L124-L127 VanDerWaalsContact O-N 3.14Å; L124-Q128 PolarHBondContact O-N 2.99Å; L124-I153 HydrophobicContact CD2-CD1 3.9Å; L124-I231 HydrophobicContact CD1-CD1 3.84Å; L124-I231 HydrophobicContact CD1-CG1 4.27Å; L124-I231 HydrophobicContact CD1-CG2 4.18Å; L124-I264 HydrophobicContact CD2-CG2 4.16Å; L124-L270 HydrophobicContact CD1-CB 4.06Å; L124-Y271 HydrophobicContact CB-CE1 3.92Å |
| 125 | G | 92.4 | Very high | 92.6 | Very high | 31 Ų | 31 | 59.1 Ų | 59.1 | 32% | 0.32 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.9 | -39.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R121 K122 Q128 A129 | R121-G125 PolarHBondContact O-N 3.11Å; K122-G125 PolarHBondContact O-N 2.87Å; G125-Q128 PolarHBondContact O-N 2.74Å; G125-A129 PolarHBondContact O-N 2.97Å |
| 126 | Q | 93.3 | Very high | 92.8 | Very high | 111 Ų | 111 | 61.5 Ų | 61.5 | 52% | 0.519 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 172.8 | -171.4 | 63.7 | 53.2 | 0 | 0 | 111.8 | K122 I123 L124 Q128 A129 D130 | K122-Q126 PolarHBondContact O-N 3.36Å; I123-Q126 PolarHBondContact O-N 2.91Å; L124-Q126 VanDerWaalsContact C-N 3.31Å; L124-Q126 PolarHBondContact O-N 3.14Å; Q126-Q128 VanDerWaalsContact C-N 3.31Å; Q126-Q128 PolarHBondContact O-N 2.95Å; Q126-A129 PolarHBondContact O-N 3.4Å; Q126-D130 PolarHBondContact NE2-OD1 2.89Å; Q126-D130 WeakPolarHBondContact O-CB 3.24Å; Q126-D130 VanDerWaalsContact O-CG 3.22Å; Q126-D130 PolarHBondContact O-N 3.44Å |
| 127 | L | 93.9 | Very high | 93.1 | Very high | 6 Ų | 6 | 63.1 Ų | 63.1 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.2 | -44.3 | 175.1 | 176.9 | 69.4 | 0 | 0 | 0 | 111.3 | I123 L124 D130 Y131 M149 I153 V261 I264 V265 | I123-L127 PolarHBondContact O-N 2.89Å; L124-L127 WeakPolarHBondContact O-CB 3.41Å; L124-L127 PolarHBondContact O-N 3.06Å; L124-L127 VanDerWaalsContact O-N 3.14Å; L127-D130 PolarHBondContact O-N 3.08Å; L127-Y131 VanDerWaalsContact O-CB 3.29Å; L127-Y131 WeakPolarHBondContact O-CB 3.42Å; L127-Y131 PolarHBondContact O-N 3.05Å; L127-M149 HydrophobicContact CD1-CB 3.82Å; L127-M149 HydrophobicContact CD1-CG 4.39Å; L127-M149 HydrophobicContact CD1-SD 4.27Å; L127-I153 HydrophobicContact CB-CD1 4.37Å; L127-I153 HydrophobicContact CD2-CD1 3.75Å; L127-V261 HydrophobicContact CD1-CG1 4.13Å; L127-I264 HydrophobicContact CD2-CG2 3.78Å; L127-V265 HydrophobicContact CD2-CG2 4.21Å; L127-V265 HydrophobicContact CG-CG2 4.07Å |
| 128 | Q | 94.5 | Very high | 93.3 | Very high | 80 Ų | 80 | 65.8 Ų | 65.8 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.4 | -48.7 | 176.7 | 174.9 | 170.8 | 18.7 | 0 | 0 | 111.7 | L124 G125 Q126 D130 Y131 E132 V265 | L124-Q128 PolarHBondContact O-N 2.99Å; G125-Q128 PolarHBondContact O-N 2.74Å; Q126-Q128 VanDerWaalsContact C-N 3.31Å; Q126-Q128 PolarHBondContact O-N 2.95Å; Q128-D130 PolarHBondContact O-N 3.23Å; Q128-Y131 PolarHBondContact O-N 3.35Å; Q128-E132 PolarHBondContact O-N 3.44Å; Q128-V265 HydrophobicContact CB-CG1 3.85Å; Q128-V265 HydrophobicContact CB-CG2 4.48Å; Q128-V265 HydrophobicContact CG-CG1 3.64Å |
| 129 | A | 94.7 | Very high | 93.5 | Very high | 46 Ų | 46 | 62.5 Ų | 62.5 | 38% | 0.38 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G125 Q126 E132 T133 | G125-A129 PolarHBondContact O-N 2.97Å; Q126-A129 PolarHBondContact O-N 3.4Å; A129-E132 PolarHBondContact O-N 3.04Å; A129-T133 WeakPolarHBondContact O-CB 3.22Å; A129-T133 PolarHBondContact O-N 2.91Å; A129-T133 PolarHBondContact O-OG1 2.86Å |
| 130 | D | 94.8 | Very high | 93.7 | Very high | 34 Ų | 34 | 63.5 Ų | 63.5 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 176.7 | -74.8 | -2.2 | 0 | 0 | 0 | 111.1 | Q126 L127 Q128 T133 S134 M149 R152 | Q126-D130 PolarHBondContact NE2-OD1 2.89Å; Q126-D130 WeakPolarHBondContact O-CB 3.24Å; Q126-D130 VanDerWaalsContact O-CG 3.22Å; Q126-D130 PolarHBondContact O-N 3.44Å; L127-D130 PolarHBondContact O-N 3.08Å; Q128-D130 PolarHBondContact O-N 3.23Å; D130-T133 PolarHBondContact O-N 3.14Å; D130-S134 WeakPolarHBondContact O-CB 3.13Å; D130-S134 PolarHBondContact O-N 2.91Å; D130-M149 VanDerWaalsContact C-CE 3.44Å; D130-M149 HydrophobicContact CB-CE 3.81Å; D130-M149 HydrophobicContact CB-CG 4.02Å; D130-M149 HydrophobicContact CB-SD 3.84Å; D130-M149 WeakPolarHBondContact O-CE 3.28Å; D130-R152 IonicContact OD2-CZ 3.58Å; D130-R152 IonicContact OD2-NE 3.61Å; D130-R152 IonicContact OD2-NH2 2.85Å; D130-R152 PolarHBondContact OD2-NH2 3.43Å |
| 131 | Y | 95.6 | Very high | 94 | Very high | 8 Ų | 8 | 71.7 Ų | 71.7 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61 | -48.3 | 178 | 179.5 | -97.6 | 0 | 0 | 0 | 111.5 | L127 Q128 S134 R142 L146 V261 K262 V265 | L127-Y131 VanDerWaalsContact O-CB 3.29Å; L127-Y131 WeakPolarHBondContact O-CB 3.42Å; L127-Y131 PolarHBondContact O-N 3.05Å; Q128-Y131 PolarHBondContact O-N 3.35Å; Y131-S134 PolarHBondContact O-N 2.77Å; Y131-S134 PolarHBondContact O-OG 2.7Å; Y131-R142 PolarHBondContact OH-NH2 3.45Å; Y131-L146 HydrophobicContact CD2-CD2 3.9Å; Y131-L146 HydrophobicContact CE2-CD2 4.19Å; Y131-V261 HydrophobicContact CD2-CB 4.2Å; Y131-V261 HydrophobicContact CD2-CG1 3.49Å; Y131-V261 VanDerWaalsContact CD2-CG1 3.49Å; Y131-V261 HydrophobicContact CE2-CB 4.34Å; Y131-V261 HydrophobicContact CE2-CG1 4.09Å; Y131-V261 HydrophobicContact CG-CG1 4.22Å; Y131-K262 HydrophobicContact CE2-CB 4.36Å; Y131-K262 WeakPolarHBondContact OH-CB 3.27Å; Y131-V265 HydrophobicContact CD1-CG1 4.31Å; Y131-V265 HydrophobicContact CG-CG2 4.23Å |
| 132 | E | 95.3 | Very high | 94.3 | Very high | 89 Ų | 89 | 68.9 Ų | 68.9 | 42% | 0.416 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 178.8 | -70.8 | -55.6 | 133.6 | 0 | 0 | 111.8 | Q128 A129 S134 R135 | Q128-E132 PolarHBondContact O-N 3.44Å; A129-E132 PolarHBondContact O-N 3.04Å; E132-S134 PolarHBondContact O-N 3.07Å; E132-R135 WeakPolarHBondContact O-CB 3.36Å; E132-R135 WeakPolarHBondContact O-CG 3.09Å; E132-R135 PolarHBondContact O-N 3.36Å; E132-R135 VanDerWaalsContact O-N 3.12Å; E132-R135 IonicContact OE1-NH1 2.72Å; E132-R135 PolarHBondContact OE1-NH1 3.35Å; E132-R135 WeakPolarHBondContact OE2-CD 3.38Å; E132-R135 IonicContact OE2-CZ 3.71Å; E132-R135 IonicContact OE2-NE 2.7Å; E132-R135 IonicContact OE2-NH1 3.72Å; E132-R135 PolarHBondContact OE2-NH1 3.29Å |
| 133 | T | 94.9 | Very high | 94.5 | Very high | 99 Ų | 99 | 61.5 Ų | 61.5 | 61% | 0.607 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.8 | -33.6 | 175.4 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | A129 D130 R135 S136 | A129-T133 WeakPolarHBondContact O-CB 3.22Å; A129-T133 PolarHBondContact O-N 2.91Å; A129-T133 PolarHBondContact O-OG1 2.86Å; D130-T133 PolarHBondContact O-N 3.14Å; T133-R135 PolarHBondContact O-N 3.29Å; T133-S136 PolarHBondContact O-OG 3.35Å |
| 134 | S | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -71.5 | -12.5 | 179.9 | 81.3 | 0 | 0 | 0 | 0 | 114.4 | D130 Y131 E132 S136 L137 R142 | D130-S134 WeakPolarHBondContact O-CB 3.13Å; D130-S134 PolarHBondContact O-N 2.91Å; Y131-S134 PolarHBondContact O-N 2.77Å; Y131-S134 PolarHBondContact O-OG 2.7Å; E132-S134 PolarHBondContact O-N 3.07Å; S134-S136 VanDerWaalsContact C-N 3.28Å; S134-S136 PolarHBondContact O-N 3.03Å; S134-L137 WeakPolarHBondContact O-CB 3.39Å; S134-L137 PolarHBondContact O-N 3.37Å; S134-L137 VanDerWaalsContact O-N 3.15Å; S134-R142 WeakPolarHBondContact O-CD 3.29Å; S134-R142 WeakPolarHBondContact O-CG 3.42Å; S134-R142 PolarHBondContact OG-NE 2.94Å |
| 135 | R | 93.9 | Very high | 94.8 | Very high | 138 Ų | 138 | 70 Ų | 70 | 52% | 0.521 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -66.4 | -28 | -173.1 | -67.2 | 176.6 | 69.4 | 134 | -1.7 | 114 | E132 T133 L137 | E132-R135 WeakPolarHBondContact O-CB 3.36Å; E132-R135 WeakPolarHBondContact O-CG 3.09Å; E132-R135 PolarHBondContact O-N 3.36Å; E132-R135 VanDerWaalsContact O-N 3.12Å; E132-R135 IonicContact OE1-NH1 2.72Å; E132-R135 PolarHBondContact OE1-NH1 3.35Å; E132-R135 WeakPolarHBondContact OE2-CD 3.38Å; E132-R135 IonicContact OE2-CZ 3.71Å; E132-R135 IonicContact OE2-NE 2.7Å; E132-R135 IonicContact OE2-NH1 3.72Å; E132-R135 PolarHBondContact OE2-NH1 3.29Å; T133-R135 PolarHBondContact O-N 3.29Å; R135-L137 VanDerWaalsContact C-N 3.28Å |
| 136 | S | 94.1 | Very high | 95 | Very high | 110 Ų | 110 | 68.5 Ų | 68.5 | 77% | 0.769 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -80.3 | -8.5 | 177.8 | 57.4 | 0 | 0 | 0 | 0 | 113.6 | T133 S134 | T133-S136 PolarHBondContact O-OG 3.35Å; S134-S136 VanDerWaalsContact C-N 3.28Å; S134-S136 PolarHBondContact O-N 3.03Å |
| 137 | L | 95.2 | Very high | 95 | Very high | 57 Ų | 57 | 65.6 Ų | 65.6 | 30% | 0.298 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -79.7 | 147.6 | -179.8 | -57.4 | 176.4 | 0 | 0 | 0 | 111.2 | S134 R135 R141 R142 N145 | S134-L137 WeakPolarHBondContact O-CB 3.39Å; S134-L137 PolarHBondContact O-N 3.37Å; S134-L137 VanDerWaalsContact O-N 3.15Å; R135-L137 VanDerWaalsContact C-N 3.28Å; L137-R141 HydrophobicContact CB-CB 4.15Å; L137-R142 HydrophobicContact CB-CB 3.97Å; L137-N145 HydrophobicContact CD1-CB 4.23Å |
| 138 | D | 95.3 | Very high | 95.1 | Very high | 68 Ų | 68 | 66.4 Ų | 66.4 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | trans | -60.3 | 157 | 167.7 | 69.4 | 82.2 | 0 | 0 | 0 | 111 | L140 R141 R142 | D138-L140 VanDerWaalsContact C-N 3.27Å; D138-L140 PolarHBondContact O-N 3.23Å; D138-L140 VanDerWaalsContact O-N 3.14Å; D138-L140 WeakPolarHBondContact OD1-CB 3.5Å; D138-L140 PolarHBondContact OD1-N 2.8Å; D138-R141 PolarHBondContact O-N 2.65Å; D138-R141 PolarHBondContact OD1-N 3.36Å; D138-R141 WeakPolarHBondContact OD2-CB 3.17Å; D138-R141 WeakPolarHBondContact OD2-CD 3.13Å; D138-R141 WeakPolarHBondContact OD2-CG 3.32Å; D138-R141 IonicContact OD2-NE 3.05Å; D138-R141 PolarHBondContact OD2-NE 3.3Å; D138-R142 VanDerWaalsContact O-CB 3.28Å; D138-R142 WeakPolarHBondContact O-CB 3.32Å; D138-R142 PolarHBondContact O-N 2.82Å | ||
| 139 | P | 94.4 | Very high | 95.1 | Very high | 68 Ų | 68 | 62.7 Ų | 62.7 | 44% | 0.442 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.2 | -35.9 | -173.8 | -29.2 | 36.4 | 0 | 0 | 0 | 115.1 | F143 F250 Y254 | P139-F143 VanDerWaalsContact O-CB 3.27Å; P139-F143 WeakPolarHBondContact O-CB 3.36Å; P139-F143 PolarHBondContact O-N 2.74Å; P139-F250 HydrophobicContact CB-CE1 4.45Å; P139-F250 HydrophobicContact CB-CZ 4.33Å; P139-Y254 HydrophobicContact CB-CE1 4.22Å; P139-Y254 HydrophobicContact CB-CE2 4.49Å |
| 140 | L | 94.5 | Very high | 95.1 | Very high | 110 Ų | 110 | 60.5 Ų | 60.5 | 58% | 0.576 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -70.9 | -46.8 | -178.9 | -69.4 | 168.7 | 0 | 0 | 0 | 110.8 | D138 F143 K144 F250 | D138-L140 VanDerWaalsContact C-N 3.27Å; D138-L140 PolarHBondContact O-N 3.23Å; D138-L140 VanDerWaalsContact O-N 3.14Å; D138-L140 WeakPolarHBondContact OD1-CB 3.5Å; D138-L140 PolarHBondContact OD1-N 2.8Å; L140-F143 PolarHBondContact O-N 2.85Å; L140-K144 PolarHBondContact O-N 3.09Å; L140-F250 HydrophobicContact CD2-CD1 4.42Å; L140-F250 HydrophobicContact CD2-CD2 4.17Å; L140-F250 HydrophobicContact CD2-CE1 3.92Å; L140-F250 HydrophobicContact CD2-CE2 3.65Å; L140-F250 HydrophobicContact CD2-CZ 3.51Å; L140-F250 HydrophobicContact CG-CZ 4.15Å |
| 141 | R | 96.3 | Very high | 95.1 | Very high | 173 Ų | 173 | 64.7 Ų | 64.7 | 65% | 0.653 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.6 | -42.2 | 175.6 | -69.6 | -174.1 | -167.7 | -168.3 | -2.1 | 111.6 | L137 D138 F143 K144 N145 | L137-R141 HydrophobicContact CB-CB 4.15Å; D138-R141 PolarHBondContact O-N 2.65Å; D138-R141 PolarHBondContact OD1-N 3.36Å; D138-R141 WeakPolarHBondContact OD2-CB 3.17Å; D138-R141 WeakPolarHBondContact OD2-CD 3.13Å; D138-R141 WeakPolarHBondContact OD2-CG 3.32Å; D138-R141 IonicContact OD2-NE 3.05Å; D138-R141 PolarHBondContact OD2-NE 3.3Å; R141-F143 VanDerWaalsContact C-N 3.35Å; R141-F143 PolarHBondContact O-N 2.76Å; R141-K144 PolarHBondContact O-N 3.37Å; R141-N145 PolarHBondContact O-N 2.86Å |
| 142 | R | 96.3 | Very high | 95 | Very high | 26 Ų | 26 | 68.9 Ų | 68.9 | 10% | 0.098 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 177.6 | -168.3 | 167.9 | 179.2 | -167.6 | -4.6 | 111.5 | Y131 S134 L137 D138 N145 L146 Y254 | Y131-R142 PolarHBondContact OH-NH2 3.45Å; S134-R142 WeakPolarHBondContact O-CD 3.29Å; S134-R142 WeakPolarHBondContact O-CG 3.42Å; S134-R142 PolarHBondContact OG-NE 2.94Å; L137-R142 HydrophobicContact CB-CB 3.97Å; D138-R142 VanDerWaalsContact O-CB 3.28Å; D138-R142 WeakPolarHBondContact O-CB 3.32Å; D138-R142 PolarHBondContact O-N 2.82Å; R142-N145 PolarHBondContact O-N 2.85Å; R142-L146 HydrophobicContact CG-CD1 4.24Å; R142-L146 HydrophobicContact CG-CG 4.44Å; R142-L146 VanDerWaalsContact O-CG 3.31Å; R142-L146 WeakPolarHBondContact O-CG 3.36Å; R142-L146 PolarHBondContact O-N 3.15Å; R142-Y254 HydrophobicContact CB-CE2 4.14Å; R142-Y254 HydrophobicContact CG-CE2 4.17Å |
| 143 | F | 95.6 | Very high | 94.9 | Very high | 13 Ų | 13 | 64.9 Ų | 64.9 | 6% | 0.057 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58 | -51.9 | 176 | -178 | -113.9 | 0 | 0 | 0 | 111.5 | P139 L140 R141 N145 L146 Q147 F250 R253 Y254 L257 | P139-F143 VanDerWaalsContact O-CB 3.27Å; P139-F143 WeakPolarHBondContact O-CB 3.36Å; P139-F143 PolarHBondContact O-N 2.74Å; L140-F143 PolarHBondContact O-N 2.85Å; R141-F143 VanDerWaalsContact C-N 3.35Å; R141-F143 PolarHBondContact O-N 2.76Å; F143-N145 PolarHBondContact O-N 3.43Å; F143-L146 WeakPolarHBondContact O-CB 3.19Å; F143-L146 PolarHBondContact O-N 3.45Å; F143-L146 VanDerWaalsContact O-N 3.13Å; F143-Q147 HydrophobicContact CD1-CG 4.28Å; F143-Q147 HydrophobicContact CD2-CG 4.45Å; F143-Q147 HydrophobicContact CE1-CG 3.96Å; F143-Q147 HydrophobicContact CE2-CG 4.13Å; F143-Q147 HydrophobicContact CZ-CG 3.88Å; F143-Q147 WeakPolarHBondContact O-CG 3.3Å; F143-Q147 PolarHBondContact O-N 3.17Å; F143-F250 HydrophobicContact CB-CE2 3.8Å; F143-F250 HydrophobicContact CB-CZ 4.26Å; F143-F250 HydrophobicContact CD1-CD2 4.26Å; F143-F250 AromaticContact CD1-CE2 3.83Å; F143-F250 HydrophobicContact CD1-CE2 3.83Å; F143-F250 AromaticContact CG-CE2 3.84Å; F143-F250 HydrophobicContact CG-CE2 3.84Å; F143-R253 HydrophobicContact CE2-CB 3.8Å; F143-R253 HydrophobicContact CZ-CB 3.79Å; F143-Y254 HydrophobicContact CB-CD2 3.89Å; F143-Y254 HydrophobicContact CD2-CD2 4.22Å; F143-L257 HydrophobicContact CD2-CD2 4.12Å; F143-L257 HydrophobicContact CE2-CB 4.39Å; F143-L257 HydrophobicContact CE2-CD2 3.77Å |
| 144 | K | 95.2 | Very high | 94.8 | Very high | 153 Ų | 153 | 60.5 Ų | 60.5 | 67% | 0.665 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -56.4 | -40.1 | 177.3 | -71.5 | -175.6 | 180 | -178.5 | 0 | 112.2 | L140 R141 Q147 G148 | L140-K144 PolarHBondContact O-N 3.09Å; R141-K144 PolarHBondContact O-N 3.37Å; K144-Q147 PolarHBondContact O-N 3.46Å; K144-G148 PolarHBondContact O-N 3.01Å |
| 145 | N | 95.5 | Very high | 94.6 | Very high | 50 Ų | 50 | 65.1 Ų | 65.1 | 27% | 0.267 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.7 | -48.1 | 176.8 | -162 | -18.3 | 0 | 0 | 0 | 111.4 | L137 R141 R142 F143 Q147 G148 M149 | L137-N145 HydrophobicContact CD1-CB 4.23Å; R141-N145 PolarHBondContact O-N 2.86Å; R142-N145 PolarHBondContact O-N 2.85Å; F143-N145 PolarHBondContact O-N 3.43Å; N145-Q147 VanDerWaalsContact C-N 3.32Å; N145-Q147 PolarHBondContact O-N 3.29Å; N145-G148 CarbonylContact O-C 3.56Å; N145-G148 WeakPolarHBondContact O-CA 3.5Å; N145-G148 PolarHBondContact O-N 3.5Å; N145-M149 HydrophobicContact CB-CE 4.14Å; N145-M149 VanDerWaalsContact CG-CE 3.42Å; N145-M149 WeakPolarHBondContact O-CG 3.47Å; N145-M149 PolarHBondContact O-N 2.71Å; N145-M149 WeakPolarHBondContact OD1-CE 3.46Å |
| 146 | L | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.9 | -42.5 | 175.5 | -69.4 | 169 | 0 | 0 | 0 | 112.2 | Y131 R142 F143 G148 M149 V150 Y254 L257 K258 V261 | Y131-L146 HydrophobicContact CD2-CD2 3.9Å; Y131-L146 HydrophobicContact CE2-CD2 4.19Å; R142-L146 HydrophobicContact CG-CD1 4.24Å; R142-L146 HydrophobicContact CG-CG 4.44Å; R142-L146 VanDerWaalsContact O-CG 3.31Å; R142-L146 WeakPolarHBondContact O-CG 3.36Å; R142-L146 PolarHBondContact O-N 3.15Å; F143-L146 WeakPolarHBondContact O-CB 3.19Å; F143-L146 PolarHBondContact O-N 3.45Å; F143-L146 VanDerWaalsContact O-N 3.13Å; L146-G148 VanDerWaalsContact C-N 3.32Å; L146-G148 PolarHBondContact O-N 2.84Å; L146-M149 HydrophobicContact CD2-CE 4.47Å; L146-M149 HydrophobicContact CD2-SD 4.11Å; L146-M149 WeakPolarHBondContact O-CB 3.38Å; L146-M149 PolarHBondContact O-N 2.84Å; L146-V150 VanDerWaalsContact O-CG2 3.28Å; L146-V150 WeakPolarHBondContact O-CG2 3.27Å; L146-V150 PolarHBondContact O-N 2.72Å; L146-Y254 HydrophobicContact CD1-CD2 4.5Å; L146-Y254 HydrophobicContact CD1-CE2 4.29Å; L146-L257 HydrophobicContact CB-CD2 3.79Å; L146-L257 HydrophobicContact CB-CG 4.18Å; L146-K258 HydrophobicContact CD1-CB 4.02Å; L146-V261 HydrophobicContact CD2-CB 4.09Å; L146-V261 HydrophobicContact CD2-CG1 4.11Å; L146-V261 HydrophobicContact CD2-CG2 4.08Å |
| 147 | Q | 95 | Very high | 94.1 | Very high | 50 Ų | 50 | 57.4 Ų | 57.4 | 23% | 0.234 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61 | -42.8 | 174.7 | -61.1 | -174.2 | -71.9 | 0 | 0 | 111.5 | F143 K144 N145 V150 K151 Y242 L257 | F143-Q147 HydrophobicContact CD1-CG 4.28Å; F143-Q147 HydrophobicContact CD2-CG 4.45Å; F143-Q147 HydrophobicContact CE1-CG 3.96Å; F143-Q147 HydrophobicContact CE2-CG 4.13Å; F143-Q147 HydrophobicContact CZ-CG 3.88Å; F143-Q147 WeakPolarHBondContact O-CG 3.3Å; F143-Q147 PolarHBondContact O-N 3.17Å; K144-Q147 PolarHBondContact O-N 3.46Å; N145-Q147 VanDerWaalsContact C-N 3.32Å; N145-Q147 PolarHBondContact O-N 3.29Å; Q147-V150 PolarHBondContact O-N 3.04Å; Q147-K151 WeakPolarHBondContact O-CG 3.29Å; Q147-K151 PolarHBondContact O-N 3.03Å; Q147-K151 VanDerWaalsContact O-N 3.07Å; Q147-Y242 HydrophobicContact CB-CE2 4.03Å; Q147-Y242 HydrophobicContact CG-CE2 3.84Å; Q147-L257 HydrophobicContact CG-CD2 3.9Å |
| 148 | G | 95 | Very high | 93.5 | Very high | 22 Ų | 22 | 60.1 Ų | 60.1 | 23% | 0.227 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61 | -45 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K144 N145 L146 K151 R152 | K144-G148 PolarHBondContact O-N 3.01Å; N145-G148 CarbonylContact O-C 3.56Å; N145-G148 WeakPolarHBondContact O-CA 3.5Å; N145-G148 PolarHBondContact O-N 3.5Å; L146-G148 VanDerWaalsContact C-N 3.32Å; L146-G148 PolarHBondContact O-N 2.84Å; G148-K151 PolarHBondContact O-N 2.99Å; G148-R152 WeakPolarHBondContact O-CB 3.27Å; G148-R152 VanDerWaalsContact O-CG 3.3Å; G148-R152 WeakPolarHBondContact O-CG 3.27Å; G148-R152 PolarHBondContact O-N 3.13Å |
| 149 | M | 95 | Very high | 92.6 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.2 | -49 | 177 | -67.1 | 175.2 | -153.4 | 0 | 0 | 111.6 | L127 D130 N145 L146 K151 R152 I153 | L127-M149 HydrophobicContact CD1-CB 3.82Å; L127-M149 HydrophobicContact CD1-CG 4.39Å; L127-M149 HydrophobicContact CD1-SD 4.27Å; D130-M149 VanDerWaalsContact C-CE 3.44Å; D130-M149 HydrophobicContact CB-CE 3.81Å; D130-M149 HydrophobicContact CB-CG 4.02Å; D130-M149 HydrophobicContact CB-SD 3.84Å; D130-M149 WeakPolarHBondContact O-CE 3.28Å; N145-M149 HydrophobicContact CB-CE 4.14Å; N145-M149 VanDerWaalsContact CG-CE 3.42Å; N145-M149 WeakPolarHBondContact O-CG 3.47Å; N145-M149 PolarHBondContact O-N 2.71Å; N145-M149 WeakPolarHBondContact OD1-CE 3.46Å; L146-M149 HydrophobicContact CD2-CE 4.47Å; L146-M149 HydrophobicContact CD2-SD 4.11Å; L146-M149 WeakPolarHBondContact O-CB 3.38Å; L146-M149 PolarHBondContact O-N 2.84Å; M149-K151 PolarHBondContact O-N 2.74Å; M149-R152 PolarHBondContact O-N 2.92Å; M149-I153 WeakPolarHBondContact O-CG2 3.38Å; M149-I153 PolarHBondContact O-N 3.14Å |
| 150 | V | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -48.5 | 179.3 | 173.6 | 0 | 0 | 0 | 0 | 111 | L146 Q147 R152 I153 V154 L238 Y242 L257 V261 | L146-V150 VanDerWaalsContact O-CG2 3.28Å; L146-V150 WeakPolarHBondContact O-CG2 3.27Å; L146-V150 PolarHBondContact O-N 2.72Å; Q147-V150 PolarHBondContact O-N 3.04Å; V150-R152 VanDerWaalsContact C-N 3.33Å; V150-R152 PolarHBondContact O-N 2.87Å; V150-I153 WeakPolarHBondContact O-CG2 3.22Å; V150-I153 PolarHBondContact O-N 3.34Å; V150-V154 HydrophobicContact CG1-CG2 4.4Å; V150-V154 WeakPolarHBondContact O-CB 3.41Å; V150-V154 VanDerWaalsContact O-CG2 3.23Å; V150-V154 WeakPolarHBondContact O-CG2 3.5Å; V150-V154 PolarHBondContact O-N 3.25Å; V150-L238 HydrophobicContact CB-CD2 4.41Å; V150-L238 HydrophobicContact CG1-CD2 4.17Å; V150-L238 HydrophobicContact CG1-CG 4.1Å; V150-L238 HydrophobicContact CG2-CD1 4.28Å; V150-L238 HydrophobicContact CG2-CD2 3.82Å; V150-L238 HydrophobicContact CG2-CG 4.06Å; V150-Y242 HydrophobicContact CG1-CD2 4.43Å; V150-Y242 HydrophobicContact CG1-CG 4.04Å; V150-L257 HydrophobicContact CG2-CD1 3.9Å; V150-V261 HydrophobicContact CG2-CG2 3.97Å |
| 151 | K | 94.2 | Very high | 89.9 | Confident | 123 Ų | 123 | 56.9 Ų | 56.9 | 54% | 0.535 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 176.9 | -71.1 | 178 | -178.6 | -176.2 | 0 | 112.2 | Q147 G148 M149 M155 Y242 | Q147-K151 WeakPolarHBondContact O-CG 3.29Å; Q147-K151 PolarHBondContact O-N 3.03Å; Q147-K151 VanDerWaalsContact O-N 3.07Å; G148-K151 PolarHBondContact O-N 2.99Å; M149-K151 PolarHBondContact O-N 2.74Å; K151-M155 VanDerWaalsContact O-CB 3.24Å; K151-M155 WeakPolarHBondContact O-CB 3.45Å; K151-M155 PolarHBondContact O-N 3.06Å; K151-Y242 WeakPolarHBondContact CE-OH 3.33Å |
| 152 | R | 94.1 | Very high | 88.1 | Confident | 96 Ų | 96 | 55.1 Ų | 55.1 | 36% | 0.362 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.8 | -48.1 | 178.2 | -75.6 | -166.9 | -55.4 | -90.1 | 7.4 | 111.7 | D130 G148 M149 V150 M155 H156 | D130-R152 IonicContact OD2-CZ 3.58Å; D130-R152 IonicContact OD2-NE 3.61Å; D130-R152 IonicContact OD2-NH2 2.85Å; D130-R152 PolarHBondContact OD2-NH2 3.43Å; G148-R152 WeakPolarHBondContact O-CB 3.27Å; G148-R152 VanDerWaalsContact O-CG 3.3Å; G148-R152 WeakPolarHBondContact O-CG 3.27Å; G148-R152 PolarHBondContact O-N 3.13Å; M149-R152 PolarHBondContact O-N 2.92Å; V150-R152 VanDerWaalsContact C-N 3.33Å; V150-R152 PolarHBondContact O-N 2.87Å; R152-M155 PolarHBondContact O-N 3.45Å; R152-H156 PolarHBondContact O-CD2 3.32Å; R152-H156 PolarHBondContact O-N 3.03Å |
| 153 | I | 93.2 | Very high | 86 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.9 | -44.1 | -178.3 | -172.3 | 157.8 | 0 | 0 | 0 | 111.7 | I123 L124 L127 M149 V150 M155 H156 I157 I235 L238 | I123-I153 HydrophobicContact CG2-CB 4.34Å; I123-I153 HydrophobicContact CG2-CD1 3.93Å; I123-I153 HydrophobicContact CG2-CG1 3.67Å; L124-I153 HydrophobicContact CD2-CD1 3.9Å; L127-I153 HydrophobicContact CB-CD1 4.37Å; L127-I153 HydrophobicContact CD2-CD1 3.75Å; M149-I153 WeakPolarHBondContact O-CG2 3.38Å; M149-I153 PolarHBondContact O-N 3.14Å; V150-I153 WeakPolarHBondContact O-CG2 3.22Å; V150-I153 PolarHBondContact O-N 3.34Å; I153-M155 VanDerWaalsContact C-N 3.31Å; I153-M155 PolarHBondContact O-N 3.06Å; I153-H156 PolarHBondContact O-N 2.95Å; I153-I157 HydrophobicContact CG1-CG1 4.18Å; I153-I157 VanDerWaalsContact O-CG1 3.31Å; I153-I157 WeakPolarHBondContact O-CG1 3.4Å; I153-I157 PolarHBondContact O-N 2.9Å; I153-I235 HydrophobicContact CD1-CD1 3.41Å; I153-I235 VanDerWaalsContact CD1-CD1 3.41Å; I153-I235 HydrophobicContact CD1-CG1 4.18Å; I153-I235 HydrophobicContact CG1-CD1 3.87Å; I153-I235 HydrophobicContact CG1-CG1 4.25Å; I153-I235 HydrophobicContact CG1-CG2 4.37Å; I153-I235 HydrophobicContact CG2-CD1 4.47Å; I153-I235 HydrophobicContact CG2-CG2 4.47Å; I153-L238 HydrophobicContact CG2-CD2 4.3Å |
| 154 | V | 91.8 | Very high | 83.9 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 176.7 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | V150 R158 I235 D239 | V150-V154 HydrophobicContact CG1-CG2 4.4Å; V150-V154 WeakPolarHBondContact O-CB 3.41Å; V150-V154 VanDerWaalsContact O-CG2 3.23Å; V150-V154 WeakPolarHBondContact O-CG2 3.5Å; V150-V154 PolarHBondContact O-N 3.25Å; V154-R158 WeakPolarHBondContact O-CB 3.42Å; V154-R158 VanDerWaalsContact O-CG 3.28Å; V154-R158 WeakPolarHBondContact O-CG 3.46Å; V154-R158 PolarHBondContact O-N 2.82Å; V154-R158 VanDerWaalsContact O-N 3.08Å; V154-I235 HydrophobicContact CG2-CG2 3.88Å; V154-D239 HydrophobicContact CG1-CB 4.47Å; V154-D239 HydrophobicContact CG2-CB 3.76Å |
| 155 | M | 91.8 | Very high | 81.4 | Confident | 96 Ų | 96 | 56.5 Ų | 56.5 | 47% | 0.473 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 176.2 | -179.1 | -171.7 | 76 | 0 | 0 | 112.1 | K151 R152 I153 I157 R158 I159 | K151-M155 VanDerWaalsContact O-CB 3.24Å; K151-M155 WeakPolarHBondContact O-CB 3.45Å; K151-M155 PolarHBondContact O-N 3.06Å; R152-M155 PolarHBondContact O-N 3.45Å; I153-M155 VanDerWaalsContact C-N 3.31Å; I153-M155 PolarHBondContact O-N 3.06Å; M155-I157 PolarHBondContact O-N 3.38Å; M155-R158 PolarHBondContact O-N 2.8Å; M155-I159 HydrophobicContact CG-CD1 3.83Å; M155-I159 VanDerWaalsContact O-CG1 3.3Å; M155-I159 WeakPolarHBondContact O-CG1 3.25Å; M155-I159 PolarHBondContact O-N 3.11Å |
| 156 | H | 90.2 | Very high | 79.2 | Confident | 80 Ų | 80 | 60.7 Ų | 60.7 | 37% | 0.37 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.1 | -38.3 | -178.3 | -77.9 | -58.6 | 0 | 0 | 0 | 113 | I123 R152 I153 T160 | I123-H156 HydrophobicContact CD1-CB 3.69Å; I123-H156 HydrophobicContact CG1-CB 4.1Å; I123-H156 HydrophobicContact CG2-CB 4.33Å; R152-H156 PolarHBondContact O-CD2 3.32Å; R152-H156 PolarHBondContact O-N 3.03Å; I153-H156 PolarHBondContact O-N 2.95Å; H156-T160 WeakPolarHBondContact O-CB 3.26Å; H156-T160 PolarHBondContact O-N 3.36Å; H156-T160 VanDerWaalsContact O-N 3.15Å; H156-T160 PolarHBondContact O-OG1 3.02Å |
| 157 | I | 86.9 | Confident | 77 | Confident | 7 Ų | 7 | 66.1 Ų | 66.1 | 4% | 0.036 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.3 | -44.7 | 176.9 | -65.8 | -64 | 0 | 0 | 0 | 110.7 | V120 I123 I153 M155 I159 T160 E161 I232 I235 | V120-I157 HydrophobicContact CB-CD1 4.47Å; V120-I157 HydrophobicContact CG1-CD1 4.15Å; V120-I157 HydrophobicContact CG2-CD1 3.87Å; I123-I157 HydrophobicContact CD1-CD1 4.17Å; I153-I157 HydrophobicContact CG1-CG1 4.18Å; I153-I157 VanDerWaalsContact O-CG1 3.31Å; I153-I157 WeakPolarHBondContact O-CG1 3.4Å; I153-I157 PolarHBondContact O-N 2.9Å; M155-I157 PolarHBondContact O-N 3.38Å; I157-I159 PolarHBondContact O-N 2.89Å; I157-T160 WeakPolarHBondContact O-CA 3.38Å; I157-T160 WeakPolarHBondContact O-CB 3.44Å; I157-T160 PolarHBondContact O-N 3.44Å; I157-E161 PolarHBondContact O-N 3.45Å; I157-I232 HydrophobicContact CG2-CG1 3.96Å; I157-I235 HydrophobicContact CG1-CG1 4.42Å; I157-I235 HydrophobicContact CG1-CG2 4.39Å |
| 158 | R | 83.1 | Confident | 74.5 | Confident | 113 Ų | 113 | 69.1 Ų | 69.1 | 43% | 0.426 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 178.2 | -73.1 | 177.4 | 179.9 | 167.8 | 8.4 | 113.7 | V154 M155 T160 Q162 D239 | V154-R158 WeakPolarHBondContact O-CB 3.42Å; V154-R158 VanDerWaalsContact O-CG 3.28Å; V154-R158 WeakPolarHBondContact O-CG 3.46Å; V154-R158 PolarHBondContact O-N 2.82Å; V154-R158 VanDerWaalsContact O-N 3.08Å; M155-R158 PolarHBondContact O-N 2.8Å; R158-T160 VanDerWaalsContact C-N 3.27Å; R158-T160 PolarHBondContact O-N 3.15Å; R158-Q162 WeakPolarHBondContact O-CG 3.33Å; R158-Q162 PolarHBondContact O-N 3.31Å; R158-D239 IonicContact CZ-OD2 3.29Å; R158-D239 IonicContact NH2-OD2 3.72Å; R158-D239 PolarHBondContact NH2-OD2 3.45Å |
| 159 | I | 75.3 | Confident | 71.5 | Confident | 97 Ų | 97 | 71.7 Ų | 71.7 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.4 | -36.3 | 174.8 | -67.6 | 166.7 | 0 | 0 | 0 | 110.4 | M155 I157 S163 | M155-I159 HydrophobicContact CG-CD1 3.83Å; M155-I159 VanDerWaalsContact O-CG1 3.3Å; M155-I159 WeakPolarHBondContact O-CG1 3.25Å; M155-I159 PolarHBondContact O-N 3.11Å; I157-I159 PolarHBondContact O-N 2.89Å; I159-S163 PolarHBondContact O-N 3.43Å |
| 160 | T | 70.2 | Confident | 68.7 | Low | 3 Ų | 3 | 78.4 Ų | 78.4 | 2% | 0.018 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.4 | -47.1 | 180 | -54.3 | 0 | 0 | 0 | 0 | 111 | E116 Q119 H156 I157 R158 Q162 S163 S164 | E116-T160 HydrophobicContact CG-CG2 3.82Å; Q119-T160 PolarHBondContact NE2-OG1 2.88Å; H156-T160 WeakPolarHBondContact O-CB 3.26Å; H156-T160 PolarHBondContact O-N 3.36Å; H156-T160 VanDerWaalsContact O-N 3.15Å; H156-T160 PolarHBondContact O-OG1 3.02Å; I157-T160 WeakPolarHBondContact O-CA 3.38Å; I157-T160 WeakPolarHBondContact O-CB 3.44Å; I157-T160 PolarHBondContact O-N 3.44Å; R158-T160 VanDerWaalsContact C-N 3.27Å; R158-T160 PolarHBondContact O-N 3.15Å; T160-Q162 VanDerWaalsContact C-N 3.34Å; T160-Q162 PolarHBondContact O-N 3.06Å; T160-S163 WeakPolarHBondContact O-CB 3.42Å; T160-S163 PolarHBondContact O-N 2.82Å; T160-S163 PolarHBondContact O-OG 3.07Å; T160-S164 PolarHBondContact O-N 3.46Å |
| 161 | E | 64 | Low | 65.8 | Low | 79 Ų | 79 | 86.8 Ų | 86.8 | 37% | 0.369 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57.1 | -42.3 | 178.1 | -176.2 | -176 | -174.9 | 0 | 0 | 112.9 | I157 S163 S164 L165 | I157-E161 PolarHBondContact O-N 3.45Å; E161-S163 PolarHBondContact O-N 2.94Å; E161-S164 PolarHBondContact O-N 2.96Å; E161-S164 PolarHBondContact O-OG 2.87Å; E161-S164 VanDerWaalsContact O-OG 3.14Å; E161-L165 HydrophobicContact CG-CD1 3.9Å; E161-L165 PolarHBondContact O-N 3.06Å |
| 162 | Q | 56.8 | Low | 62.9 | Low | 135 Ų | 135 | 85 Ų | 85 | 63% | 0.631 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -67.1 | -24.5 | 178.6 | -70 | -179.3 | 5.2 | 0 | 0 | 113 | R158 T160 | R158-Q162 WeakPolarHBondContact O-CG 3.33Å; R158-Q162 PolarHBondContact O-N 3.31Å; T160-Q162 VanDerWaalsContact C-N 3.34Å; T160-Q162 PolarHBondContact O-N 3.06Å |
| 163 | S | 53.5 | Low | 60.1 | Low | 59 Ų | 59 | 88.8 Ų | 88.8 | 41% | 0.413 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -82 | -24.7 | -178.1 | 77.1 | 0 | 0 | 0 | 0 | 113.6 | I159 T160 E161 | I159-S163 PolarHBondContact O-N 3.43Å; T160-S163 WeakPolarHBondContact O-CB 3.42Å; T160-S163 PolarHBondContact O-N 2.82Å; T160-S163 PolarHBondContact O-OG 3.07Å; E161-S163 PolarHBondContact O-N 2.94Å |
| 164 | S | 51.3 | Low | 57.2 | Low | 38 Ų | 38 | 96.2 Ų | 96.2 | 27% | 0.266 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -88.6 | -37.5 | 178 | 47.1 | 0 | 0 | 0 | 0 | 112.4 | E116 T160 E161 K166 | E116-S164 PolarHBondContact OE2-OG 3.15Å; T160-S164 PolarHBondContact O-N 3.46Å; E161-S164 PolarHBondContact O-N 2.96Å; E161-S164 PolarHBondContact O-OG 2.87Å; E161-S164 VanDerWaalsContact O-OG 3.14Å; S164-K166 PolarHBondContact O-N 3.43Å |
| 165 | L | 43.2 | Very low | 54.6 | Low | 125 Ų | 125 | 100.1 Ų | 100.1 | 65% | 0.654 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -72.8 | -26.3 | -176.6 | -72.6 | 169.3 | 0 | 0 | 0 | 115 | E161 K167 | E161-L165 HydrophobicContact CG-CD1 3.9Å; E161-L165 PolarHBondContact O-N 3.06Å; L165-K167 PolarHBondContact O-N 2.95Å |
| 166 | K | 47.6 | Very low | 51.8 | Low | 137 Ų | 137 | 101.5 Ų | 101.5 | 60% | 0.596 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -9.7 | -177.3 | -81.7 | -174.6 | 173.9 | -176.4 | 0 | 114.8 | S164 E177 | S164-K166 PolarHBondContact O-N 3.43Å; K166-E177 IonicContact NZ-OE2 3.68Å; K166-E177 PolarHBondContact NZ-OE2 3.09Å |
| 167 | K | 50.3 | Low | 49.4 | Very low | 114 Ų | 114 | 103.7 Ų | 103.7 | 50% | 0.496 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -100.2 | -9.8 | -165.6 | -67.8 | -174.5 | -179.3 | 179.4 | 0 | 116.4 | L165 | L165-K167 PolarHBondContact O-N 2.95Š|
| 168 | F | 43.3 | Very low | 47 | Very low | 113 Ų | 113 | 112 Ų | 112 | 50% | 0.496 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -118.6 | 4.2 | -175.6 | -65.3 | -69.3 | 0 | 0 | 0 | 115 | I108 C112 T170 | I108-F168 HydrophobicContact CG2-CE1 3.54Å; I108-F168 HydrophobicContact CG2-CZ 3.68Å; C112-F168 HydrophobicContact CB-CE2 4.37Å; C112-F168 HydrophobicContact CB-CZ 4.49Å; F168-T170 PolarHBondContact O-N 3.21Å; F168-T170 VanDerWaalsContact O-N 3.07Å |
| 169 | S | 31.4 | Very low | 44.9 | Very low | 77 Ų | 77 | 110.9 Ų | 110.9 | 54% | 0.538 | 60% | 0.596 | S | S | . | * | trans | -77.1 | 95.3 | 164.1 | -171.9 | 0 | 0 | 0 | 0 | 109 | Q171 | S169-Q171 PolarHBondContact O-N 2.99Å; S169-Q171 PolarHBondContact OG-N 3.01Å; S169-Q171 PolarHBondContact OG-O 3.09Å; S169-Q171 VanDerWaalsContact OG-O 3.06Å | ||
| 170 | T | 36 | Very low | 43.4 | Very low | 142 Ų | 142 | 112.9 Ų | 112.9 | 87% | 0.871 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -67.3 | 19.9 | 165.1 | 41.2 | 0 | 0 | 0 | 0 | 113.1 | F168 | F168-T170 PolarHBondContact O-N 3.21Å; F168-T170 VanDerWaalsContact O-N 3.07Å |
| 171 | Q | 33.2 | Very low | 41.9 | Very low | 176 Ų | 176 | 120.6 Ų | 120.6 | 82% | 0.822 | 64% | 0.643 | S | S | * | * | trans | -145.9 | 81.5 | 172.2 | -68.8 | -171.4 | -1.7 | 0 | 0 | 110 | S169 | S169-Q171 PolarHBondContact O-N 2.99Å; S169-Q171 PolarHBondContact OG-N 3.01Å; S169-Q171 PolarHBondContact OG-O 3.09Å; S169-Q171 VanDerWaalsContact OG-O 3.06Å | ||
| 172 | S | 33.1 | Very low | 40.8 | Very low | 87 Ų | 87 | 119.2 Ų | 119.2 | 61% | 0.608 | 65% | 0.65 | S | S | * | * | trans | -158.3 | 76.3 | 157 | -166.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 173 | E | 36.5 | Very low | 40.4 | Very low | 175 Ų | 175 | 118.1 Ų | 118.1 | 82% | 0.818 | 65% | 0.649 | S | S | * | * | trans | -62.9 | 129.3 | 147.9 | -66.5 | 177.6 | 159.2 | 0 | 0 | 106.6 | ||||
| 174 | N | 32.5 | Very low | 40.5 | Very low | 160 Ų | 160 | 118.3 Ų | 118.3 | 86% | 0.856 | 65% | 0.647 | S | S | * | * | trans | 98.7 | 41.6 | 165.4 | -44.9 | -33.1 | 0 | 0 | 0 | 120 | ||||
| 175 | S | 36 | Very low | 40.5 | Very low | 89 Ų | 89 | 121.5 Ų | 121.5 | 62% | 0.622 | 66% | 0.661 | S | S | * | * | trans | -120.2 | 93.3 | 156.7 | -170.8 | 0 | 0 | 0 | 0 | 111.5 | E177 | S175-E177 PolarHBondContact O-N 2.99Å; S175-E177 VanDerWaalsContact O-N 3.07Å | ||
| 176 | S | 32.8 | Very low | 41.3 | Very low | 126 Ų | 126 | 122.4 Ų | 122.4 | 88% | 0.881 | 66% | 0.661 | S | S | * | * | trans | -71.8 | 87.3 | 168.8 | 54.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 177 | E | 40.9 | Very low | 42.5 | Very low | 126 Ų | 126 | 117.5 Ų | 117.5 | 59% | 0.589 | 64% | 0.644 | S | S | * | * | trans | -119.8 | 113.8 | 169.9 | -158.9 | 175.7 | -160.5 | 0 | 0 | 109.7 | K166 S175 T179 | K166-E177 IonicContact NZ-OE2 3.68Å; K166-E177 PolarHBondContact NZ-OE2 3.09Å; S175-E177 PolarHBondContact O-N 2.99Å; S175-E177 VanDerWaalsContact O-N 3.07Å; E177-T179 PolarHBondContact O-N 2.79Å; E177-T179 PolarHBondContact O-OG1 3.21Å | ||
| 178 | I | 36.3 | Very low | 43.7 | Very low | 180 Ų | 180 | 116.1 Ų | 116.1 | 92% | 0.923 | 64% | 0.64 | S | S | * | * | trans | -54.3 | 99.5 | -172.7 | -61.5 | 158 | 0 | 0 | 0 | 109.5 | ||||
| 179 | T | 39.1 | Very low | 45.5 | Very low | 90 Ų | 90 | 114.6 Ų | 114.6 | 55% | 0.552 | 64% | 0.639 | S | S | * | * | trans | -112.8 | 125.2 | 175.2 | -46.4 | 0 | 0 | 0 | 0 | 108 | E177 Q181 V184 | E177-T179 PolarHBondContact O-N 2.79Å; E177-T179 PolarHBondContact O-OG1 3.21Å; T179-Q181 PolarHBondContact O-N 3.2Å; T179-Q181 VanDerWaalsContact O-N 3.09Å; T179-V184 HydrophobicContact CG2-CG2 4.01Å | ||
| 180 | L | 42.9 | Very low | 47.9 | Very low | 139 Ų | 139 | 117.5 Ų | 117.5 | 73% | 0.728 | 64% | 0.643 | S | S | * | * | trans | -42.5 | 113.4 | -176.3 | -73.5 | 157.5 | 0 | 0 | 0 | 111.5 | G182 D183 | L180-G182 PolarHBondContact O-N 2.99Å; L180-D183 PolarHBondContact O-N 2.89Å; L180-D183 VanDerWaalsContact O-N 3.15Å | ||
| 181 | Q | 39.2 | Very low | 50.1 | Low | 166 Ų | 166 | 113 Ų | 113 | 78% | 0.776 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -56.5 | -13.4 | -169 | -165.3 | 170.6 | 6 | 0 | 0 | 115 | T179 | T179-Q181 PolarHBondContact O-N 3.2Å; T179-Q181 VanDerWaalsContact O-N 3.09Å |
| 182 | G | 41.6 | Very low | 52.6 | Low | 50 Ų | 50 | 111.2 Ų | 111.2 | 52% | 0.515 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -79.7 | -39.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L180 | L180-G182 PolarHBondContact O-N 2.99Å |
| 183 | D | 48.7 | Very low | 55.2 | Low | 112 Ų | 112 | 112.4 Ų | 112.4 | 60% | 0.599 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -80.6 | -29.5 | -176.1 | -72.3 | -18.9 | 0 | 0 | 0 | 111.8 | L180 Q186 S187 | L180-D183 PolarHBondContact O-N 2.89Å; L180-D183 VanDerWaalsContact O-N 3.15Å; D183-Q186 PolarHBondContact O-N 3.14Å; D183-S187 WeakPolarHBondContact O-CB 3.41Å; D183-S187 PolarHBondContact O-N 3.39Å |
| 184 | V | 54.6 | Low | 57.6 | Low | 63 Ų | 63 | 105.1 Ų | 105.1 | 38% | 0.382 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.9 | -46.4 | 179.8 | -179 | 0 | 0 | 0 | 0 | 110.9 | T179 Q186 S187 E188 | T179-V184 HydrophobicContact CG2-CG2 4.01Å; V184-Q186 PolarHBondContact O-N 3.16Å; V184-S187 PolarHBondContact O-N 3.32Å; V184-S187 VanDerWaalsContact O-N 3.13Å; V184-S187 PolarHBondContact O-OG 3.21Å; V184-E188 PolarHBondContact O-N 2.98Å |
| 185 | L | 52.2 | Low | 60.3 | Low | 105 Ų | 105 | 102 Ų | 102 | 55% | 0.55 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.7 | -39.3 | -179.8 | -69.6 | 175.4 | 0 | 0 | 0 | 112.6 | S187 T189 | L185-S187 VanDerWaalsContact C-N 3.32Å; L185-T189 WeakPolarHBondContact O-CB 3.48Å; L185-T189 PolarHBondContact O-N 2.83Å; L185-T189 PolarHBondContact O-OG1 3.14Å |
| 186 | Q | 60.1 | Low | 62.9 | Low | 143 Ų | 143 | 104.5 Ų | 104.5 | 67% | 0.668 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.3 | -38.8 | 174 | -67.9 | -168 | 0.8 | 0 | 0 | 111.1 | D183 V184 K190 | D183-Q186 PolarHBondContact O-N 3.14Å; V184-Q186 PolarHBondContact O-N 3.16Å; Q186-K190 VanDerWaalsContact O-CB 3.25Å; Q186-K190 WeakPolarHBondContact O-CB 3.38Å; Q186-K190 PolarHBondContact O-N 3.41Å |
| 187 | S | 71.8 | Confident | 65.8 | Low | 34 Ų | 34 | 103 Ų | 103 | 24% | 0.238 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -67 | -41.7 | 178.9 | 82.4 | 0 | 0 | 0 | 0 | 112.3 | D183 V184 L185 K190 V191 | D183-S187 WeakPolarHBondContact O-CB 3.41Å; D183-S187 PolarHBondContact O-N 3.39Å; V184-S187 PolarHBondContact O-N 3.32Å; V184-S187 VanDerWaalsContact O-N 3.13Å; V184-S187 PolarHBondContact O-OG 3.21Å; L185-S187 VanDerWaalsContact C-N 3.32Å; S187-K190 PolarHBondContact O-N 2.82Å; S187-V191 VanDerWaalsContact O-CG2 3.29Å; S187-V191 WeakPolarHBondContact O-CG2 3.42Å; S187-V191 PolarHBondContact O-N 3.33Å |
| 188 | E | 75.2 | Confident | 68.2 | Low | 86 Ų | 86 | 97 Ų | 97 | 40% | 0.402 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.1 | -42.6 | 179.2 | -164.2 | -162.6 | 143.1 | 0 | 0 | 111.1 | V184 K190 V191 R192 | V184-E188 PolarHBondContact O-N 2.98Å; E188-K190 VanDerWaalsContact C-N 3.29Å; E188-K190 PolarHBondContact O-N 3.49Å; E188-V191 PolarHBondContact O-N 3.47Å; E188-R192 PolarHBondContact O-N 3.46Å; E188-R192 IonicContact OE1-CZ 3.78Å; E188-R192 VanDerWaalsContact OE1-CZ 3.28Å; E188-R192 IonicContact OE1-NE 2.74Å; E188-R192 PolarHBondContact OE1-NE 3.31Å; E188-R192 VanDerWaalsContact OE1-NE 3.08Å; E188-R192 IonicContact OE1-NH2 3.28Å; E188-R192 PolarHBondContact OE1-NH2 3.02Å; E188-R192 IonicContact OE2-NH2 3.08Å |
| 189 | T | 81.2 | Confident | 70.7 | Confident | 80 Ų | 80 | 89.2 Ų | 89.2 | 49% | 0.491 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 174.7 | -54.9 | 0 | 0 | 0 | 0 | 110.8 | L185 R192 E193 | L185-T189 WeakPolarHBondContact O-CB 3.48Å; L185-T189 PolarHBondContact O-N 2.83Å; L185-T189 PolarHBondContact O-OG1 3.14Å; T189-R192 PolarHBondContact O-N 2.91Å; T189-E193 WeakPolarHBondContact O-CB 3.49Å; T189-E193 PolarHBondContact O-N 3.32Å |
| 190 | K | 82.9 | Confident | 73.2 | Confident | 139 Ų | 139 | 90.2 Ų | 90.2 | 60% | 0.604 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.6 | -40.2 | 177.1 | -174.5 | -178 | 178.3 | -172.6 | 0 | 112.2 | Q186 S187 E188 M194 | Q186-K190 VanDerWaalsContact O-CB 3.25Å; Q186-K190 WeakPolarHBondContact O-CB 3.38Å; Q186-K190 PolarHBondContact O-N 3.41Å; S187-K190 PolarHBondContact O-N 2.82Å; E188-K190 VanDerWaalsContact C-N 3.29Å; E188-K190 PolarHBondContact O-N 3.49Å; K190-M194 VanDerWaalsContact O-CB 3.31Å; K190-M194 WeakPolarHBondContact O-CB 3.25Å; K190-M194 PolarHBondContact O-N 3.11Å |
| 191 | V | 82 | Confident | 75.5 | Confident | 47 Ų | 47 | 86.9 Ų | 86.9 | 29% | 0.285 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.8 | -49 | 176.1 | 171.5 | 0 | 0 | 0 | 0 | 110.2 | S187 E188 E193 M194 E195 | S187-V191 VanDerWaalsContact O-CG2 3.29Å; S187-V191 WeakPolarHBondContact O-CG2 3.42Å; S187-V191 PolarHBondContact O-N 3.33Å; E188-V191 PolarHBondContact O-N 3.47Å; V191-E193 VanDerWaalsContact C-N 3.33Å; V191-E193 PolarHBondContact O-N 2.99Å; V191-M194 WeakPolarHBondContact O-CB 3.43Å; V191-M194 PolarHBondContact O-N 3.02Å; V191-M194 VanDerWaalsContact O-N 3.11Å; V191-E195 HydrophobicContact CG1-CG 4.4Å; V191-E195 WeakPolarHBondContact O-CG 3.47Å; V191-E195 PolarHBondContact O-N 3.46Å |
| 192 | R | 84.5 | Confident | 78 | Confident | 138 Ų | 138 | 79 Ų | 79 | 52% | 0.521 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.9 | -39.2 | 177.5 | -75.2 | -166.2 | -99.7 | 145.3 | -8.5 | 113.1 | E188 T189 K196 | E188-R192 PolarHBondContact O-N 3.46Å; E188-R192 IonicContact OE1-CZ 3.78Å; E188-R192 VanDerWaalsContact OE1-CZ 3.28Å; E188-R192 IonicContact OE1-NE 2.74Å; E188-R192 PolarHBondContact OE1-NE 3.31Å; E188-R192 VanDerWaalsContact OE1-NE 3.08Å; E188-R192 IonicContact OE1-NH2 3.28Å; E188-R192 PolarHBondContact OE1-NH2 3.02Å; E188-R192 IonicContact OE2-NH2 3.08Å; T189-R192 PolarHBondContact O-N 2.91Å; R192-K196 WeakPolarHBondContact O-CB 3.3Å; R192-K196 PolarHBondContact O-N 3.41Å |
| 193 | E | 87.9 | Confident | 80.2 | Confident | 113 Ų | 113 | 81.8 Ų | 81.8 | 53% | 0.528 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 175.4 | -166.3 | -158.8 | 132.1 | 0 | 0 | 111.7 | T189 V191 K196 R197 | T189-E193 WeakPolarHBondContact O-CB 3.49Å; T189-E193 PolarHBondContact O-N 3.32Å; V191-E193 VanDerWaalsContact C-N 3.33Å; V191-E193 PolarHBondContact O-N 2.99Å; E193-K196 PolarHBondContact O-N 2.89Å; E193-R197 WeakPolarHBondContact O-CB 3.41Å; E193-R197 PolarHBondContact O-N 2.93Å; E193-R197 IonicContact OE1-NH2 2.9Å; E193-R197 PolarHBondContact OE1-NH2 2.69Å; E193-R197 VanDerWaalsContact OE1-NH2 3.12Å |
| 194 | M | 87.1 | Confident | 82.2 | Confident | 21 Ų | 21 | 82.8 Ų | 82.8 | 10% | 0.103 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.7 | -48.8 | 175.7 | -178.5 | 173.3 | 63.9 | 0 | 0 | 111.3 | I108 D111 K190 V191 K196 R197 V198 | I108-M194 HydrophobicContact CG2-CE 3.71Å; D111-M194 HydrophobicContact CB-SD 3.74Å; K190-M194 VanDerWaalsContact O-CB 3.31Å; K190-M194 WeakPolarHBondContact O-CB 3.25Å; K190-M194 PolarHBondContact O-N 3.11Å; V191-M194 WeakPolarHBondContact O-CB 3.43Å; V191-M194 PolarHBondContact O-N 3.02Å; V191-M194 VanDerWaalsContact O-N 3.11Å; M194-K196 VanDerWaalsContact C-N 3.32Å; M194-K196 PolarHBondContact O-N 3.34Å; M194-R197 PolarHBondContact O-N 3.14Å; M194-V198 HydrophobicContact CG-CG2 4.48Å; M194-V198 WeakPolarHBondContact O-CB 3.38Å; M194-V198 VanDerWaalsContact O-CG2 3.29Å; M194-V198 WeakPolarHBondContact O-CG2 3.36Å; M194-V198 PolarHBondContact O-N 3.49Å |
| 195 | E | 89.1 | Confident | 83.9 | Confident | 96 Ų | 96 | 82.8 Ų | 82.8 | 45% | 0.449 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -56.9 | -44.9 | 175.1 | -72.1 | 171.8 | 164.4 | 0 | 0 | 111.8 | I108 V191 R197 V198 G199 | I108-E195 HydrophobicContact CD1-CG 3.82Å; V191-E195 HydrophobicContact CG1-CG 4.4Å; V191-E195 WeakPolarHBondContact O-CG 3.47Å; V191-E195 PolarHBondContact O-N 3.46Å; E195-R197 PolarHBondContact O-N 2.79Å; E195-V198 PolarHBondContact O-N 3.15Å; E195-G199 PolarHBondContact O-N 3.48Å |
| 196 | K | 91 | Very high | 85.7 | Confident | 140 Ų | 140 | 80.5 Ų | 80.5 | 61% | 0.609 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60.2 | -45.7 | 176.5 | -178.2 | -179.6 | 177.7 | -176.6 | 0 | 112 | R192 E193 M194 G199 Q200 | R192-K196 WeakPolarHBondContact O-CB 3.3Å; R192-K196 PolarHBondContact O-N 3.41Å; E193-K196 PolarHBondContact O-N 2.89Å; M194-K196 VanDerWaalsContact C-N 3.32Å; M194-K196 PolarHBondContact O-N 3.34Å; K196-G199 PolarHBondContact O-N 3.4Å; K196-Q200 WeakPolarHBondContact O-CG 3.45Å; K196-Q200 PolarHBondContact O-N 3.41Å |
| 197 | R | 93 | Very high | 87.2 | Confident | 94 Ų | 94 | 76.9 Ų | 76.9 | 36% | 0.355 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 178.5 | -169.1 | -167.3 | -45.5 | 110.2 | 8.9 | 111.2 | D111 E193 M194 E195 G199 Q200 M201 | D111-R197 IonicContact OD2-NH1 3.12Å; E193-R197 WeakPolarHBondContact O-CB 3.41Å; E193-R197 PolarHBondContact O-N 2.93Å; E193-R197 IonicContact OE1-NH2 2.9Å; E193-R197 PolarHBondContact OE1-NH2 2.69Å; E193-R197 VanDerWaalsContact OE1-NH2 3.12Å; M194-R197 PolarHBondContact O-N 3.14Å; E195-R197 PolarHBondContact O-N 2.79Å; R197-G199 VanDerWaalsContact C-N 3.35Å; R197-Q200 PolarHBondContact O-N 2.66Å; R197-M201 WeakPolarHBondContact O-CG 3.36Å; R197-M201 PolarHBondContact O-N 3.27Å |
| 198 | V | 91.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 82.5 Ų | 82.5 | 1% | 0.006 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 178.3 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | F103 K104 K107 I108 M194 E195 M201 C202 | F103-V198 HydrophobicContact CE1-CG1 4.43Å; K104-V198 HydrophobicContact CB-CG1 4.14Å; K104-V198 HydrophobicContact CG-CG1 4.15Å; K107-V198 HydrophobicContact CB-CG1 3.83Å; K107-V198 HydrophobicContact CB-CG2 4.25Å; K107-V198 HydrophobicContact CG-CB 4.44Å; K107-V198 HydrophobicContact CG-CG1 3.97Å; K107-V198 HydrophobicContact CG-CG2 3.66Å; I108-V198 HydrophobicContact CG1-CB 4.46Å; I108-V198 HydrophobicContact CG1-CG1 4.43Å; I108-V198 HydrophobicContact CG1-CG2 4.16Å; M194-V198 HydrophobicContact CG-CG2 4.48Å; M194-V198 WeakPolarHBondContact O-CB 3.38Å; M194-V198 VanDerWaalsContact O-CG2 3.29Å; M194-V198 WeakPolarHBondContact O-CG2 3.36Å; M194-V198 PolarHBondContact O-N 3.49Å; E195-V198 PolarHBondContact O-N 3.15Å; V198-M201 PolarHBondContact O-N 3.03Å; V198-C202 WeakPolarHBondContact O-CB 3.49Å; V198-C202 PolarHBondContact O-N 3.06Å |
| 199 | G | 89.8 | Confident | 89 | Confident | 16 Ų | 16 | 82.7 Ų | 82.7 | 17% | 0.165 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -57 | -49.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E195 K196 R197 M201 C202 D203 | E195-G199 PolarHBondContact O-N 3.48Å; K196-G199 PolarHBondContact O-N 3.4Å; R197-G199 VanDerWaalsContact C-N 3.35Å; G199-M201 VanDerWaalsContact C-N 3.3Å; G199-M201 PolarHBondContact O-N 3.28Å; G199-C202 WeakPolarHBondContact O-CB 3.47Å; G199-C202 PolarHBondContact O-N 3.02Å; G199-C202 VanDerWaalsContact O-N 3.11Å; G199-D203 PolarHBondContact O-N 3.07Å; G199-D203 VanDerWaalsContact O-N 3.08Å |
| 200 | Q | 91.3 | Very high | 89.6 | Confident | 111 Ų | 111 | 78.9 Ų | 78.9 | 52% | 0.519 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.9 | -36.1 | 176.6 | -70 | 174.9 | -16.7 | 0 | 0 | 113.2 | K196 R197 N204 | K196-Q200 WeakPolarHBondContact O-CG 3.45Å; K196-Q200 PolarHBondContact O-N 3.41Å; R197-Q200 PolarHBondContact O-N 2.66Å; Q200-N204 PolarHBondContact O-ND2 3.3Å |
| 201 | M | 90.7 | Very high | 90 | Very high | 69 Ų | 69 | 75.8 Ų | 75.8 | 34% | 0.34 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.9 | -40.3 | 174.7 | -68 | -179.9 | 82.9 | 0 | 0 | 111.7 | F103 R197 V198 G199 D203 N204 Y205 | F103-M201 HydrophobicContact CE1-CB 4.32Å; R197-M201 WeakPolarHBondContact O-CG 3.36Å; R197-M201 PolarHBondContact O-N 3.27Å; V198-M201 PolarHBondContact O-N 3.03Å; G199-M201 VanDerWaalsContact C-N 3.3Å; G199-M201 PolarHBondContact O-N 3.28Å; M201-D203 VanDerWaalsContact C-N 3.3Å; M201-D203 PolarHBondContact O-N 3.35Å; M201-N204 PolarHBondContact O-N 3.23Å; M201-Y205 WeakPolarHBondContact O-CD2 3.46Å |
| 202 | C | 90.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 178.4 | -169.7 | 0 | 0 | 0 | 0 | 111.3 | R100 F103 K104 V198 G199 N204 Y205 | R100-C202 PolarHBondContact NH1-O 2.92Å; F103-C202 HydrophobicContact CD1-CB 3.72Å; F103-C202 HydrophobicContact CE1-CB 3.96Å; K104-C202 HydrophobicContact CG-CB 4.3Å; V198-C202 WeakPolarHBondContact O-CB 3.49Å; V198-C202 PolarHBondContact O-N 3.06Å; G199-C202 WeakPolarHBondContact O-CB 3.47Å; G199-C202 PolarHBondContact O-N 3.02Å; G199-C202 VanDerWaalsContact O-N 3.11Å; C202-N204 PolarHBondContact O-N 3.2Å; C202-Y205 PolarHBondContact O-N 2.9Å |
| 203 | D | 88.9 | Confident | 91.1 | Very high | 110 Ų | 110 | 72.9 Ų | 72.9 | 59% | 0.588 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.7 | -24.3 | -179.9 | -64.7 | -21.3 | 0 | 0 | 0 | 113.3 | G199 M201 | G199-D203 PolarHBondContact O-N 3.07Å; G199-D203 VanDerWaalsContact O-N 3.08Å; M201-D203 VanDerWaalsContact C-N 3.3Å; M201-D203 PolarHBondContact O-N 3.35Å |
| 204 | N | 90.7 | Very high | 91.5 | Very high | 133 Ų | 133 | 68.2 Ų | 68.2 | 71% | 0.711 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -12.4 | -179.7 | -65.5 | -27.4 | 0 | 0 | 0 | 114.2 | Q200 M201 C202 | Q200-N204 PolarHBondContact O-ND2 3.3Å; M201-N204 PolarHBondContact O-N 3.23Å; C202-N204 PolarHBondContact O-N 3.2Å |
| 205 | Y | 90.3 | Very high | 91.9 | Very high | 62 Ų | 62 | 75.3 Ų | 75.3 | 24% | 0.243 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -100 | 140.7 | -179 | -67.7 | -64.5 | 0 | 0 | 0 | 111.7 | R100 F103 M201 C202 E209 L210 Q213 | R100-Y205 PolarHBondContact NH2-O 3.38Å; R100-Y205 VanDerWaalsContact NH2-O 3.09Å; F103-Y205 HydrophobicContact CE2-CD2 4.36Å; F103-Y205 HydrophobicContact CE2-CE2 4.15Å; F103-Y205 HydrophobicContact CZ-CD2 4.08Å; F103-Y205 AromaticContact CZ-CE2 3.78Å; F103-Y205 HydrophobicContact CZ-CE2 3.78Å; M201-Y205 WeakPolarHBondContact O-CD2 3.46Å; C202-Y205 PolarHBondContact O-N 2.9Å; Y205-E209 HydrophobicContact CD1-CB 3.88Å; Y205-E209 HydrophobicContact CG-CB 4.4Å; Y205-L210 HydrophobicContact CD2-CD2 4.04Å; Y205-L210 HydrophobicContact CG-CD2 4.23Å; Y205-Q213 HydrophobicContact CE1-CG 4.29Å |
| 206 | S | 90.7 | Very high | 92.2 | Very high | 58 Ų | 58 | 78 Ų | 78 | 41% | 0.406 | 37% | 0.37 | S | S | . | . | trans | -68.1 | 162.4 | 161.9 | 65.6 | 0 | 0 | 0 | 0 | 111.1 | E208 E209 L210 | S206-E208 VanDerWaalsContact C-N 3.28Å; S206-E208 PolarHBondContact O-N 3.01Å; S206-E209 WeakPolarHBondContact CB-OE2 3.27Å; S206-E209 PolarHBondContact N-OE2 3.43Å; S206-E209 PolarHBondContact O-N 3.44Å; S206-E209 WeakPolarHBondContact OG-CB 3.26Å; S206-E209 VanDerWaalsContact OG-CD 3.28Å; S206-E209 VanDerWaalsContact OG-CG 3.24Å; S206-E209 WeakPolarHBondContact OG-CG 3.26Å; S206-E209 PolarHBondContact OG-N 3.16Å; S206-E209 PolarHBondContact OG-OE2 2.83Å; S206-L210 WeakPolarHBondContact O-CG 3.2Å; S206-L210 PolarHBondContact O-N 3.18Å | ||
| 207 | I | 89.9 | Confident | 92.4 | Very high | 67 Ų | 67 | 72.1 Ų | 72.1 | 34% | 0.344 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.1 | -36.2 | 180 | -57.7 | -51.9 | 0 | 0 | 0 | 112 | D97 A99 R100 L210 T211 | D97-I207 HydrophobicContact CB-CD1 4.17Å; D97-I207 VanDerWaalsContact OD2-CD1 3.28Å; D97-I207 WeakPolarHBondContact OD2-CD1 3.44Å; A99-I207 HydrophobicContact CB-CG2 4.35Å; R100-I207 HydrophobicContact CG-CD1 4.38Å; I207-L210 HydrophobicContact CD1-CD1 4.08Å; I207-L210 PolarHBondContact O-N 3.35Å; I207-T211 PolarHBondContact O-N 3.43Å; I207-T211 PolarHBondContact O-OG1 2.91Å |
| 208 | E | 91.1 | Very high | 92.5 | Very high | 152 Ų | 152 | 70.9 Ų | 70.9 | 71% | 0.71 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.5 | -45.2 | 176.3 | -174.2 | 175.5 | -175.5 | 0 | 0 | 111.2 | S206 L210 T211 I212 | S206-E208 VanDerWaalsContact C-N 3.28Å; S206-E208 PolarHBondContact O-N 3.01Å; E208-L210 PolarHBondContact O-N 3Å; E208-T211 WeakPolarHBondContact O-CB 3.29Å; E208-T211 PolarHBondContact O-N 3.42Å; E208-I212 PolarHBondContact O-N 3.33Å |
| 209 | E | 94.2 | Very high | 92.7 | Very high | 89 Ų | 89 | 75 Ų | 75 | 42% | 0.416 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 175 | -71.1 | 167.3 | 134.9 | 0 | 0 | 111.9 | Y205 S206 T211 I212 Q213 | Y205-E209 HydrophobicContact CD1-CB 3.88Å; Y205-E209 HydrophobicContact CG-CB 4.4Å; S206-E209 WeakPolarHBondContact CB-OE2 3.27Å; S206-E209 PolarHBondContact N-OE2 3.43Å; S206-E209 PolarHBondContact O-N 3.44Å; S206-E209 WeakPolarHBondContact OG-CB 3.26Å; S206-E209 VanDerWaalsContact OG-CD 3.28Å; S206-E209 VanDerWaalsContact OG-CG 3.24Å; S206-E209 WeakPolarHBondContact OG-CG 3.26Å; S206-E209 PolarHBondContact OG-N 3.16Å; S206-E209 PolarHBondContact OG-OE2 2.83Å; E209-T211 VanDerWaalsContact C-N 3.27Å; E209-T211 PolarHBondContact O-N 3.46Å; E209-I212 PolarHBondContact O-N 2.99Å; E209-I212 VanDerWaalsContact O-N 3.15Å; E209-Q213 VanDerWaalsContact O-CG 3.28Å; E209-Q213 WeakPolarHBondContact O-CG 3.33Å; E209-Q213 PolarHBondContact O-N 2.8Å |
| 210 | L | 93.4 | Very high | 93 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.7 | -40.3 | 175.9 | -74.1 | 170.8 | 0 | 0 | 0 | 111.6 | A99 R100 F103 Y205 S206 I207 E208 I212 Q213 N214 | A99-L210 HydrophobicContact CB-CB 4.18Å; R100-L210 HydrophobicContact CB-CD1 4.39Å; R100-L210 HydrophobicContact CG-CD1 3.43Å; R100-L210 VanDerWaalsContact CG-CD1 3.43Å; F103-L210 HydrophobicContact CB-CD2 3.71Å; F103-L210 HydrophobicContact CD1-CD2 3.92Å; F103-L210 HydrophobicContact CD2-CD2 3.8Å; F103-L210 HydrophobicContact CE2-CD2 4.41Å; F103-L210 HydrophobicContact CG-CD2 3.52Å; Y205-L210 HydrophobicContact CD2-CD2 4.04Å; Y205-L210 HydrophobicContact CG-CD2 4.23Å; S206-L210 WeakPolarHBondContact O-CG 3.2Å; S206-L210 PolarHBondContact O-N 3.18Å; I207-L210 HydrophobicContact CD1-CD1 4.08Å; I207-L210 PolarHBondContact O-N 3.35Å; E208-L210 PolarHBondContact O-N 3Å; L210-I212 VanDerWaalsContact C-N 3.33Å; L210-I212 PolarHBondContact O-N 2.9Å; L210-Q213 PolarHBondContact O-N 3.27Å; L210-N214 WeakPolarHBondContact O-CB 2.94Å; L210-N214 PolarHBondContact O-N 3.47Å; L210-N214 PolarHBondContact O-ND2 3.28Å; L210-N214 PolarHBondContact O-OD1 3.46Å |
| 211 | T | 92.4 | Very high | 93.2 | Very high | 75 Ų | 75 | 71.1 Ų | 71.1 | 46% | 0.46 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 177 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | I207 E208 E209 R215 | I207-T211 PolarHBondContact O-N 3.43Å; I207-T211 PolarHBondContact O-OG1 2.91Å; E208-T211 WeakPolarHBondContact O-CB 3.29Å; E208-T211 PolarHBondContact O-N 3.42Å; E209-T211 VanDerWaalsContact C-N 3.27Å; E209-T211 PolarHBondContact O-N 3.46Å; T211-R215 PolarHBondContact O-N 3.12Å |
| 212 | I | 94.6 | Very high | 93.4 | Very high | 80 Ų | 80 | 73.4 Ų | 73.4 | 41% | 0.41 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 176.2 | -64.1 | 168.6 | 0 | 0 | 0 | 110.8 | E208 E209 L210 R215 R216 | E208-I212 PolarHBondContact O-N 3.33Å; E209-I212 PolarHBondContact O-N 2.99Å; E209-I212 VanDerWaalsContact O-N 3.15Å; L210-I212 VanDerWaalsContact C-N 3.33Å; L210-I212 PolarHBondContact O-N 2.9Å; I212-R215 PolarHBondContact O-N 3.26Å; I212-R216 WeakPolarHBondContact O-CG 3.38Å; I212-R216 PolarHBondContact O-N 2.96Å; I212-R216 VanDerWaalsContact O-N 3.11Å |
| 213 | Q | 95.2 | Very high | 93.5 | Very high | 44 Ų | 44 | 80.1 Ų | 80.1 | 21% | 0.206 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 179.1 | -67.1 | -61.7 | -17.1 | 0 | 0 | 112.1 | F103 Y205 E209 L210 R215 R216 L217 | F103-Q213 HydrophobicContact CD2-CB 3.99Å; F103-Q213 HydrophobicContact CE2-CB 3.88Å; F103-Q213 HydrophobicContact CE2-CG 4.46Å; Y205-Q213 HydrophobicContact CE1-CG 4.29Å; E209-Q213 VanDerWaalsContact O-CG 3.28Å; E209-Q213 WeakPolarHBondContact O-CG 3.33Å; E209-Q213 PolarHBondContact O-N 2.8Å; L210-Q213 PolarHBondContact O-N 3.27Å; Q213-R215 VanDerWaalsContact C-N 3.32Å; Q213-R215 PolarHBondContact O-N 2.87Å; Q213-R216 PolarHBondContact O-N 3.48Å; Q213-L217 WeakPolarHBondContact O-CB 3.38Å; Q213-L217 WeakPolarHBondContact O-CG 3.37Å; Q213-L217 PolarHBondContact O-N 2.88Å |
| 214 | N | 95.1 | Very high | 93.6 | Very high | 14 Ų | 14 | 75.2 Ų | 75.2 | 8% | 0.075 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 175.3 | -72.4 | -13.8 | 0 | 0 | 0 | 111.5 | A99 F103 L106 L210 L217 N218 | A99-N214 PolarHBondContact O-ND2 2.99Å; F103-N214 WeakPolarHBondContact CA-OD1 3.4Å; F103-N214 WeakPolarHBondContact CB-OD1 3.44Å; F103-N214 PolarHBondContact N-OD1 2.99Å; L106-N214 HydrophobicContact CD1-CB 3.93Å; L106-N214 WeakPolarHBondContact CD1-O 3.41Å; L210-N214 WeakPolarHBondContact O-CB 2.94Å; L210-N214 PolarHBondContact O-N 3.47Å; L210-N214 PolarHBondContact O-ND2 3.28Å; L210-N214 PolarHBondContact O-OD1 3.46Å; N214-L217 PolarHBondContact O-N 3.4Å; N214-N218 WeakPolarHBondContact O-CB 3.18Å; N214-N218 PolarHBondContact O-N 3.29Å; N214-N218 PolarHBondContact O-ND2 3.45Å |
| 215 | R | 95.6 | Very high | 93.7 | Very high | 171 Ų | 171 | 72.5 Ų | 72.5 | 65% | 0.645 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.9 | -48.4 | 173.7 | -172.8 | -176 | -64 | 173.1 | 0.4 | 111.3 | T211 I212 Q213 L217 N218 E219 | T211-R215 PolarHBondContact O-N 3.12Å; I212-R215 PolarHBondContact O-N 3.26Å; Q213-R215 VanDerWaalsContact C-N 3.32Å; Q213-R215 PolarHBondContact O-N 2.87Å; R215-L217 PolarHBondContact O-N 2.96Å; R215-N218 PolarHBondContact O-N 3.26Å; R215-E219 WeakPolarHBondContact CG-OE1 3.32Å; R215-E219 WeakPolarHBondContact O-CG 3.3Å; R215-E219 PolarHBondContact O-N 3.05Å |
| 216 | R | 95.9 | Very high | 93.8 | Very high | 151 Ų | 151 | 73.6 Ų | 73.6 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.8 | -41.3 | 179.5 | -70.1 | 177.3 | 178.5 | 177.5 | 0.6 | 112.8 | I212 Q213 S220 | I212-R216 WeakPolarHBondContact O-CG 3.38Å; I212-R216 PolarHBondContact O-N 2.96Å; I212-R216 VanDerWaalsContact O-N 3.11Å; Q213-R216 PolarHBondContact O-N 3.48Å; R216-S220 VanDerWaalsContact O-CB 3.29Å; R216-S220 WeakPolarHBondContact O-CB 3.31Å; R216-S220 PolarHBondContact O-N 2.72Å |
| 217 | L | 96.1 | Very high | 93.8 | Very high | 17 Ų | 17 | 72.5 Ų | 72.5 | 9% | 0.089 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.6 | -42.3 | 178 | -77 | 168.9 | 0 | 0 | 0 | 111.3 | F103 L106 K107 N110 Q213 N214 R215 S220 N221 | F103-L217 HydrophobicContact CD2-CD1 3.77Å; F103-L217 HydrophobicContact CE2-CD1 3.72Å; L106-L217 HydrophobicContact CB-CB 3.94Å; L106-L217 HydrophobicContact CB-CD1 4.1Å; L106-L217 HydrophobicContact CD1-CB 4.28Å; K107-L217 HydrophobicContact CB-CD1 4.08Å; K107-L217 HydrophobicContact CD-CD1 4.39Å; K107-L217 HydrophobicContact CD-CD2 4.01Å; N110-L217 HydrophobicContact CB-CD2 3.85Å; Q213-L217 WeakPolarHBondContact O-CB 3.38Å; Q213-L217 WeakPolarHBondContact O-CG 3.37Å; Q213-L217 PolarHBondContact O-N 2.88Å; N214-L217 PolarHBondContact O-N 3.4Å; R215-L217 PolarHBondContact O-N 2.96Å; L217-S220 PolarHBondContact O-N 3.1Å; L217-N221 WeakPolarHBondContact O-CB 3.49Å; L217-N221 PolarHBondContact O-N 3.06Å; L217-N221 PolarHBondContact O-OD1 3.08Å |
| 218 | N | 95.1 | Very high | 93.8 | Very high | 69 Ų | 69 | 69.6 Ų | 69.6 | 37% | 0.369 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.2 | -52.3 | 173.3 | -88.3 | -53 | 0 | 0 | 0 | 111.5 | L106 N214 R215 S220 N221 E222 | L106-N218 WeakPolarHBondContact CD1-ND2 3.43Å; L106-N218 WeakPolarHBondContact CD2-OD1 3.34Å; N214-N218 WeakPolarHBondContact O-CB 3.18Å; N214-N218 PolarHBondContact O-N 3.29Å; N214-N218 PolarHBondContact O-ND2 3.45Å; R215-N218 PolarHBondContact O-N 3.26Å; N218-S220 VanDerWaalsContact C-N 3.29Å; N218-S220 PolarHBondContact O-N 3.46Å; N218-N221 PolarHBondContact O-N 3.41Å; N218-E222 WeakPolarHBondContact O-CB 3.35Å; N218-E222 PolarHBondContact O-N 2.95Å |
| 219 | E | 95.9 | Very high | 93.8 | Very high | 86 Ų | 86 | 68 Ų | 68 | 40% | 0.402 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 178 | -70.5 | 172.5 | -160.3 | 0 | 0 | 112 | R215 R223 | R215-E219 WeakPolarHBondContact CG-OE1 3.32Å; R215-E219 WeakPolarHBondContact O-CG 3.3Å; R215-E219 PolarHBondContact O-N 3.05Å; E219-R223 VanDerWaalsContact O-CG 3.27Å; E219-R223 WeakPolarHBondContact O-CG 3.37Å; E219-R223 PolarHBondContact O-N 3.37Å; E219-R223 VanDerWaalsContact O-N 3.14Å |
| 220 | S | 95.4 | Very high | 93.7 | Very high | 44 Ų | 44 | 66.9 Ų | 66.9 | 31% | 0.308 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68 | -41.7 | 177.7 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | N110 R216 L217 N218 L224 | N110-S220 PolarHBondContact ND2-OG 2.92Å; R216-S220 VanDerWaalsContact O-CB 3.29Å; R216-S220 WeakPolarHBondContact O-CB 3.31Å; R216-S220 PolarHBondContact O-N 2.72Å; L217-S220 PolarHBondContact O-N 3.1Å; N218-S220 VanDerWaalsContact C-N 3.29Å; N218-S220 PolarHBondContact O-N 3.46Å; S220-L224 WeakPolarHBondContact O-CB 3.36Å; S220-L224 WeakPolarHBondContact O-CG 3.43Å; S220-L224 PolarHBondContact O-N 2.93Å |
| 221 | N | 94.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.011 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.7 | -46.5 | 179.1 | -72.7 | 0.7 | 0 | 0 | 0 | 110.1 | L106 E109 N110 L113 L217 N218 R223 L224 E225 | L106-N221 PolarHBondContact O-ND2 3.39Å; L106-N221 VanDerWaalsContact O-ND2 3.15Å; E109-N221 VanDerWaalsContact CD-ND2 3.33Å; E109-N221 WeakPolarHBondContact OE1-CB 3.42Å; E109-N221 PolarHBondContact OE1-ND2 3.38Å; N110-N221 WeakPolarHBondContact CA-OD1 3.4Å; N110-N221 WeakPolarHBondContact CB-OD1 3.49Å; N110-N221 PolarHBondContact ND2-OD1 3.3Å; L113-N221 HydrophobicContact CD1-CB 3.76Å; L217-N221 WeakPolarHBondContact O-CB 3.49Å; L217-N221 PolarHBondContact O-N 3.06Å; L217-N221 PolarHBondContact O-OD1 3.08Å; N218-N221 PolarHBondContact O-N 3.41Å; N221-R223 VanDerWaalsContact C-N 3.31Å; N221-R223 PolarHBondContact O-N 3.39Å; N221-L224 WeakPolarHBondContact O-CB 3.46Å; N221-L224 PolarHBondContact O-N 3.4Å; N221-L224 VanDerWaalsContact O-N 3.11Å; N221-E225 WeakPolarHBondContact O-CB 3.27Å; N221-E225 WeakPolarHBondContact O-CG 3.49Å; N221-E225 PolarHBondContact O-N 3.28Å |
| 222 | E | 94.7 | Very high | 93.5 | Very high | 117 Ų | 117 | 64.8 Ų | 64.8 | 55% | 0.547 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.2 | -45.1 | 176.4 | -175.9 | -177.4 | 179.3 | 0 | 0 | 111.4 | N218 N226 | N218-E222 WeakPolarHBondContact O-CB 3.35Å; N218-E222 PolarHBondContact O-N 2.95Å; E222-N226 VanDerWaalsContact O-CB 3.27Å; E222-N226 WeakPolarHBondContact O-CB 3.33Å; E222-N226 PolarHBondContact O-N 2.73Å; E222-N226 PolarHBondContact O-ND2 2.73Å |
| 223 | R | 93.2 | Very high | 93.3 | Very high | 141 Ų | 141 | 65.8 Ų | 65.8 | 53% | 0.532 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 175.4 | -72.6 | 176.6 | -165.9 | 177.7 | 7.7 | 112.6 | E219 N221 R227 P274 | E219-R223 VanDerWaalsContact O-CG 3.27Å; E219-R223 WeakPolarHBondContact O-CG 3.37Å; E219-R223 PolarHBondContact O-N 3.37Å; E219-R223 VanDerWaalsContact O-N 3.14Å; N221-R223 VanDerWaalsContact C-N 3.31Å; N221-R223 PolarHBondContact O-N 3.39Å; R223-R227 VanDerWaalsContact O-CB 3.25Å; R223-R227 WeakPolarHBondContact O-CB 3.32Å; R223-R227 PolarHBondContact O-N 2.96Å; R223-P274 HydrophobicContact CB-CB 4.23Å |
| 224 | L | 92.2 | Very high | 93.1 | Very high | 8 Ų | 8 | 66.7 Ų | 66.7 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 178.3 | -84.6 | 161.9 | 0 | 0 | 0 | 111.8 | L113 W117 S220 N221 R227 L228 P274 | L113-L224 HydrophobicContact CB-CB 4.12Å; L113-L224 HydrophobicContact CB-CD1 4.13Å; L113-L224 HydrophobicContact CD1-CB 4.34Å; W117-L224 HydrophobicContact CB-CD2 3.88Å; W117-L224 HydrophobicContact CG-CD2 3.95Å; S220-L224 WeakPolarHBondContact O-CB 3.36Å; S220-L224 WeakPolarHBondContact O-CG 3.43Å; S220-L224 PolarHBondContact O-N 2.93Å; N221-L224 WeakPolarHBondContact O-CB 3.46Å; N221-L224 PolarHBondContact O-N 3.4Å; N221-L224 VanDerWaalsContact O-N 3.11Å; L224-R227 PolarHBondContact O-N 3.21Å; L224-L228 WeakPolarHBondContact O-CB 3.19Å; L224-L228 WeakPolarHBondContact O-CG 3.33Å; L224-L228 PolarHBondContact O-N 3.41Å; L224-P274 HydrophobicContact CD2-CB 4.32Å; L224-P274 HydrophobicContact CD2-CG 3.36Å; L224-P274 HydrophobicContact CG-CB 4.34Å; L224-P274 HydrophobicContact CG-CG 3.85Å |
| 225 | E | 92 | Very high | 93 | Very high | 75 Ų | 75 | 66.1 Ų | 66.1 | 35% | 0.35 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.4 | -51.4 | 178.3 | -75.5 | -174.7 | 165.4 | 0 | 0 | 111.5 | L113 N221 R227 L228 Q229 | L113-E225 HydrophobicContact CD1-CG 3.67Å; L113-E225 HydrophobicContact CD2-CG 3.55Å; L113-E225 HydrophobicContact CG-CG 4.27Å; N221-E225 WeakPolarHBondContact O-CB 3.27Å; N221-E225 WeakPolarHBondContact O-CG 3.49Å; N221-E225 PolarHBondContact O-N 3.28Å; E225-R227 PolarHBondContact O-N 3.48Å; E225-L228 PolarHBondContact O-N 2.97Å; E225-L228 VanDerWaalsContact O-N 3.14Å; E225-Q229 WeakPolarHBondContact O-CB 3.06Å; E225-Q229 VanDerWaalsContact O-CG 3.3Å; E225-Q229 WeakPolarHBondContact O-CG 3.37Å; E225-Q229 PolarHBondContact O-N 3.31Å |
| 226 | N | 92.1 | Very high | 92.8 | Very high | 86 Ų | 86 | 60.9 Ų | 60.9 | 46% | 0.46 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55.8 | -39.2 | 177.3 | -76 | -32 | 0 | 0 | 0 | 111.3 | E222 L230 | E222-N226 VanDerWaalsContact O-CB 3.27Å; E222-N226 WeakPolarHBondContact O-CB 3.33Å; E222-N226 PolarHBondContact O-N 2.73Å; E222-N226 PolarHBondContact O-ND2 2.73Å; N226-L230 WeakPolarHBondContact O-CB 3.22Å; N226-L230 PolarHBondContact O-N 3.31Å |
| 227 | R | 90.4 | Very high | 92.7 | Very high | 35 Ų | 35 | 57.6 Ų | 57.6 | 13% | 0.132 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.9 | -43.7 | 178.4 | -171.6 | 60.4 | 165 | -148.8 | -9.9 | 112.9 | W117 R223 L224 E225 L230 I231 D269 E272 | W117-R227 HydrophobicContact CE3-CG 4.16Å; W117-R227 HydrophobicContact CH2-CG 3.72Å; W117-R227 HydrophobicContact CZ3-CB 4.47Å; W117-R227 HydrophobicContact CZ3-CG 3.4Å; W117-R227 VanDerWaalsContact CZ3-CG 3.4Å; R223-R227 VanDerWaalsContact O-CB 3.25Å; R223-R227 WeakPolarHBondContact O-CB 3.32Å; R223-R227 PolarHBondContact O-N 2.96Å; L224-R227 PolarHBondContact O-N 3.21Å; E225-R227 PolarHBondContact O-N 3.48Å; R227-L230 PolarHBondContact O-N 3.11Å; R227-I231 PolarHBondContact O-N 3.49Å; R227-I231 VanDerWaalsContact O-N 3.16Å; R227-D269 PolarHBondContact NE-O 3.45Å; R227-D269 VanDerWaalsContact NH1-C 3.35Å; R227-D269 PolarHBondContact NH1-O 3.43Å; R227-D269 PolarHBondContact NH2-O 3Å; R227-E272 PolarHBondContact NH2-O 3.46Å |
| 228 | L | 91.2 | Very high | 92.5 | Very high | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 175.3 | -77.1 | 169.5 | 0 | 0 | 0 | 111.1 | L113 E116 W117 V120 L224 E225 L230 I231 I232 | L113-L228 HydrophobicContact CD2-CD1 3.86Å; E116-L228 HydrophobicContact CB-CD1 4.16Å; E116-L228 HydrophobicContact CG-CD1 3.99Å; E116-L228 HydrophobicContact CG-CD2 3.94Å; W117-L228 HydrophobicContact CB-CD2 4.47Å; W117-L228 HydrophobicContact CE3-CD2 4.21Å; V120-L228 HydrophobicContact CB-CD2 4.2Å; V120-L228 HydrophobicContact CG2-CD2 3.8Å; L224-L228 WeakPolarHBondContact O-CB 3.19Å; L224-L228 WeakPolarHBondContact O-CG 3.33Å; L224-L228 PolarHBondContact O-N 3.41Å; E225-L228 PolarHBondContact O-N 2.97Å; E225-L228 VanDerWaalsContact O-N 3.14Å; L228-L230 VanDerWaalsContact C-N 3.33Å; L228-L230 PolarHBondContact O-N 3.23Å; L228-I231 PolarHBondContact O-N 3.27Å; L228-I231 VanDerWaalsContact O-N 3.16Å; L228-I232 WeakPolarHBondContact O-CG1 3.4Å; L228-I232 PolarHBondContact O-N 3.15Å |
| 229 | Q | 91.1 | Very high | 92.5 | Very high | 119 Ų | 119 | 54.8 Ų | 54.8 | 56% | 0.556 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.8 | -41.9 | 176 | -71.9 | 179.3 | 18.4 | 0 | 0 | 112 | E225 I231 I232 H233 | E225-Q229 WeakPolarHBondContact O-CB 3.06Å; E225-Q229 VanDerWaalsContact O-CG 3.3Å; E225-Q229 WeakPolarHBondContact O-CG 3.37Å; E225-Q229 PolarHBondContact O-N 3.31Å; Q229-I231 VanDerWaalsContact C-N 3.34Å; Q229-I231 PolarHBondContact O-N 3.09Å; Q229-I232 PolarHBondContact O-N 3.17Å; Q229-H233 VanDerWaalsContact O-CB 3.27Å; Q229-H233 WeakPolarHBondContact O-CB 3.42Å; Q229-H233 PolarHBondContact O-N 2.88Å |
| 230 | L | 91.2 | Very high | 92.3 | Very high | 64 Ų | 64 | 55.8 Ų | 55.8 | 34% | 0.335 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 174.9 | 178.1 | 63.4 | 0 | 0 | 0 | 111.7 | N226 R227 L228 H233 K234 L270 | N226-L230 WeakPolarHBondContact O-CB 3.22Å; N226-L230 PolarHBondContact O-N 3.31Å; R227-L230 PolarHBondContact O-N 3.11Å; L228-L230 VanDerWaalsContact C-N 3.33Å; L228-L230 PolarHBondContact O-N 3.23Å; L230-H233 PolarHBondContact O-N 2.94Å; L230-K234 HydrophobicContact CD1-CG 4.45Å; L230-K234 VanDerWaalsContact O-CG 3.26Å; L230-K234 WeakPolarHBondContact O-CG 3.23Å; L230-K234 PolarHBondContact O-N 3.37Å; L230-L270 HydrophobicContact CD2-CD2 4.46Å; L230-L270 HydrophobicContact CG-CD2 4.32Å |
| 231 | I | 90.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.7 | -49.2 | 177.5 | -67.7 | 166.8 | 0 | 0 | 0 | 110.6 | W117 V120 L124 R227 L228 Q229 H233 K234 I235 L270 | W117-I231 HydrophobicContact CE3-CD1 4.26Å; W117-I231 HydrophobicContact CH2-CD1 4.24Å; W117-I231 HydrophobicContact CZ3-CD1 3.44Å; W117-I231 VanDerWaalsContact CZ3-CD1 3.44Å; V120-I231 HydrophobicContact CG1-CB 4.29Å; V120-I231 HydrophobicContact CG1-CD1 3.67Å; V120-I231 HydrophobicContact CG1-CG2 3.63Å; L124-I231 HydrophobicContact CD1-CD1 3.84Å; L124-I231 HydrophobicContact CD1-CG1 4.27Å; L124-I231 HydrophobicContact CD1-CG2 4.18Å; R227-I231 PolarHBondContact O-N 3.49Å; R227-I231 VanDerWaalsContact O-N 3.16Å; L228-I231 PolarHBondContact O-N 3.27Å; L228-I231 VanDerWaalsContact O-N 3.16Å; Q229-I231 VanDerWaalsContact C-N 3.34Å; Q229-I231 PolarHBondContact O-N 3.09Å; I231-H233 VanDerWaalsContact C-N 3.26Å; I231-H233 PolarHBondContact O-N 3.37Å; I231-K234 PolarHBondContact O-N 2.67Å; I231-K234 VanDerWaalsContact O-N 3.11Å; I231-I235 HydrophobicContact CG2-CG1 4.21Å; I231-I235 WeakPolarHBondContact O-CG1 3.28Å; I231-I235 PolarHBondContact O-N 2.86Å; I231-L270 HydrophobicContact CG1-CB 4.33Å; I231-L270 HydrophobicContact CG1-CD2 3.66Å |
| 232 | I | 90.5 | Very high | 92.2 | Very high | 30 Ų | 30 | 57.2 Ų | 57.2 | 15% | 0.154 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.8 | -45.4 | 178.6 | -70 | 162.7 | 0 | 0 | 0 | 110.1 | I157 L228 Q229 K234 I235 N236 | I157-I232 HydrophobicContact CG2-CG1 3.96Å; L228-I232 WeakPolarHBondContact O-CG1 3.4Å; L228-I232 PolarHBondContact O-N 3.15Å; Q229-I232 PolarHBondContact O-N 3.17Å; I232-K234 PolarHBondContact O-N 3.43Å; I232-I235 PolarHBondContact O-N 3.04Å; I232-N236 WeakPolarHBondContact O-CB 3.46Å; I232-N236 PolarHBondContact O-N 3.39Å; I232-N236 PolarHBondContact O-ND2 2.91Å |
| 233 | H | 91.1 | Very high | 92.1 | Very high | 102 Ų | 102 | 55.6 Ų | 55.6 | 47% | 0.472 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.4 | -48.8 | 175.8 | -179 | 76.4 | 0 | 0 | 0 | 111.9 | Q229 L230 I231 I235 N236 E237 | Q229-H233 VanDerWaalsContact O-CB 3.27Å; Q229-H233 WeakPolarHBondContact O-CB 3.42Å; Q229-H233 PolarHBondContact O-N 2.88Å; L230-H233 PolarHBondContact O-N 2.94Å; I231-H233 VanDerWaalsContact C-N 3.26Å; I231-H233 PolarHBondContact O-N 3.37Å; H233-I235 VanDerWaalsContact C-N 3.31Å; H233-I235 PolarHBondContact O-N 2.83Å; H233-N236 PolarHBondContact O-N 2.9Å; H233-N236 VanDerWaalsContact O-N 3.17Å; H233-E237 IonicContact NE2-OE1 3.97Å; H233-E237 PolarHBondContact NE2-OE1 3.22Å; H233-E237 WeakPolarHBondContact O-CG 3.46Å; H233-E237 PolarHBondContact O-N 3.33Å |
| 234 | K | 92.1 | Very high | 92.1 | Very high | 63 Ų | 63 | 53 Ų | 53 | 27% | 0.274 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.5 | -35.4 | 178.1 | -69.4 | -74.7 | 156 | -146 | 0 | 113 | L230 I231 I232 E237 L238 L270 | L230-K234 HydrophobicContact CD1-CG 4.45Å; L230-K234 VanDerWaalsContact O-CG 3.26Å; L230-K234 WeakPolarHBondContact O-CG 3.23Å; L230-K234 PolarHBondContact O-N 3.37Å; I231-K234 PolarHBondContact O-N 2.67Å; I231-K234 VanDerWaalsContact O-N 3.11Å; I232-K234 PolarHBondContact O-N 3.43Å; K234-E237 WeakPolarHBondContact CD-OE2 3.3Å; K234-E237 WeakPolarHBondContact CE-OE2 3.44Å; K234-E237 IonicContact NZ-OE1 2.71Å; K234-E237 IonicContact NZ-OE2 3.79Å; K234-E237 PolarHBondContact NZ-OE2 3Å; K234-L238 PolarHBondContact O-N 3.49Å; K234-L238 VanDerWaalsContact O-N 3.09Å; K234-L270 HydrophobicContact CG-CD2 4.27Å |
| 235 | I | 91.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.6 | -37.6 | 175 | -63.2 | -49.4 | 0 | 0 | 0 | 111.5 | I153 V154 I157 I231 I232 H233 L238 D239 I264 | I153-I235 HydrophobicContact CD1-CD1 3.41Å; I153-I235 VanDerWaalsContact CD1-CD1 3.41Å; I153-I235 HydrophobicContact CD1-CG1 4.18Å; I153-I235 HydrophobicContact CG1-CD1 3.87Å; I153-I235 HydrophobicContact CG1-CG1 4.25Å; I153-I235 HydrophobicContact CG1-CG2 4.37Å; I153-I235 HydrophobicContact CG2-CD1 4.47Å; I153-I235 HydrophobicContact CG2-CG2 4.47Å; V154-I235 HydrophobicContact CG2-CG2 3.88Å; I157-I235 HydrophobicContact CG1-CG1 4.42Å; I157-I235 HydrophobicContact CG1-CG2 4.39Å; I231-I235 HydrophobicContact CG2-CG1 4.21Å; I231-I235 WeakPolarHBondContact O-CG1 3.28Å; I231-I235 PolarHBondContact O-N 2.86Å; I232-I235 PolarHBondContact O-N 3.04Å; H233-I235 VanDerWaalsContact C-N 3.31Å; H233-I235 PolarHBondContact O-N 2.83Å; I235-L238 WeakPolarHBondContact O-CB 3.24Å; I235-L238 PolarHBondContact O-N 3.02Å; I235-D239 PolarHBondContact O-N 3.34Å; I235-I264 HydrophobicContact CD1-CD1 4.18Å; I235-I264 HydrophobicContact CD1-CG2 4.47Å |
| 236 | N | 91.7 | Very high | 92 | Very high | 61 Ų | 61 | 58.1 Ų | 58.1 | 33% | 0.326 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.2 | -38.6 | 174.1 | -73.3 | -26.4 | 0 | 0 | 0 | 111.9 | I232 H233 L238 D239 N240 | I232-N236 WeakPolarHBondContact O-CB 3.46Å; I232-N236 PolarHBondContact O-N 3.39Å; I232-N236 PolarHBondContact O-ND2 2.91Å; H233-N236 PolarHBondContact O-N 2.9Å; H233-N236 VanDerWaalsContact O-N 3.17Å; N236-L238 VanDerWaalsContact C-N 3.29Å; N236-L238 PolarHBondContact O-N 3.4Å; N236-D239 PolarHBondContact O-N 3.4Å; N236-N240 WeakPolarHBondContact O-CB 3.37Å; N236-N240 VanDerWaalsContact O-CG 3.22Å; N236-N240 PolarHBondContact O-N 3.23Å; N236-N240 PolarHBondContact O-ND2 3.4Å |
| 237 | E | 93 | Very high | 92 | Very high | 83 Ų | 83 | 61.3 Ų | 61.3 | 39% | 0.388 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.5 | -41.7 | 170.2 | -72.7 | -174.5 | 132.7 | 0 | 0 | 111.5 | H233 K234 L241 | H233-E237 IonicContact NE2-OE1 3.97Å; H233-E237 PolarHBondContact NE2-OE1 3.22Å; H233-E237 WeakPolarHBondContact O-CG 3.46Å; H233-E237 PolarHBondContact O-N 3.33Å; K234-E237 WeakPolarHBondContact CD-OE2 3.3Å; K234-E237 WeakPolarHBondContact CE-OE2 3.44Å; K234-E237 IonicContact NZ-OE1 2.71Å; K234-E237 IonicContact NZ-OE2 3.79Å; K234-E237 PolarHBondContact NZ-OE2 3Å; E237-L241 VanDerWaalsContact O-CB 3.27Å; E237-L241 WeakPolarHBondContact O-CB 3.4Å; E237-L241 PolarHBondContact O-N 3.49Å |
| 238 | L | 93.4 | Very high | 92.1 | Very high | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 176 | -176.3 | 68 | 0 | 0 | 0 | 112.4 | V150 I153 K234 I235 N236 L241 Y242 A260 V261 I264 | V150-L238 HydrophobicContact CB-CD2 4.41Å; V150-L238 HydrophobicContact CG1-CD2 4.17Å; V150-L238 HydrophobicContact CG1-CG 4.1Å; V150-L238 HydrophobicContact CG2-CD1 4.28Å; V150-L238 HydrophobicContact CG2-CD2 3.82Å; V150-L238 HydrophobicContact CG2-CG 4.06Å; I153-L238 HydrophobicContact CG2-CD2 4.3Å; K234-L238 PolarHBondContact O-N 3.49Å; K234-L238 VanDerWaalsContact O-N 3.09Å; I235-L238 WeakPolarHBondContact O-CB 3.24Å; I235-L238 PolarHBondContact O-N 3.02Å; N236-L238 VanDerWaalsContact C-N 3.29Å; N236-L238 PolarHBondContact O-N 3.4Å; L238-L241 PolarHBondContact O-N 3.07Å; L238-Y242 WeakPolarHBondContact O-CB 3.12Å; L238-Y242 PolarHBondContact O-N 3.01Å; L238-A260 HydrophobicContact CD1-CB 3.65Å; L238-V261 HydrophobicContact CD1-CG2 4.22Å; L238-I264 HydrophobicContact CB-CD1 3.85Å; L238-I264 HydrophobicContact CD1-CD1 4.01Å; L238-I264 HydrophobicContact CD2-CD1 3.54Å; L238-I264 HydrophobicContact CG-CD1 3.99Å |
| 239 | D | 93.6 | Very high | 92.3 | Very high | 21 Ų | 21 | 63.9 Ų | 63.9 | 11% | 0.112 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.7 | -46 | 177.4 | -168 | 32.2 | 0 | 0 | 0 | 111.1 | V154 R158 I235 N236 L241 Y242 N243 | V154-D239 HydrophobicContact CG1-CB 4.47Å; V154-D239 HydrophobicContact CG2-CB 3.76Å; R158-D239 IonicContact CZ-OD2 3.29Å; R158-D239 IonicContact NH2-OD2 3.72Å; R158-D239 PolarHBondContact NH2-OD2 3.45Å; I235-D239 PolarHBondContact O-N 3.34Å; N236-D239 PolarHBondContact O-N 3.4Å; D239-L241 VanDerWaalsContact C-N 3.34Å; D239-L241 PolarHBondContact O-N 2.9Å; D239-Y242 WeakPolarHBondContact O-CB 3.4Å; D239-Y242 PolarHBondContact O-N 2.91Å; D239-N243 PolarHBondContact O-N 3.37Å; D239-N243 PolarHBondContact O-ND2 3.41Å; D239-N243 PolarHBondContact OD1-ND2 2.96Å; D239-N243 VanDerWaalsContact OD1-ND2 3.16Å |
| 240 | N | 93.6 | Very high | 92.5 | Very high | 108 Ų | 108 | 60.7 Ų | 60.7 | 58% | 0.578 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -59.1 | -45.5 | 176.7 | -72.2 | -22.7 | 0 | 0 | 0 | 111.6 | N236 N243 S244 | N236-N240 WeakPolarHBondContact O-CB 3.37Å; N236-N240 VanDerWaalsContact O-CG 3.22Å; N236-N240 PolarHBondContact O-N 3.23Å; N236-N240 PolarHBondContact O-ND2 3.4Å; N240-N243 PolarHBondContact O-N 3.41Å; N240-S244 WeakPolarHBondContact O-CB 3.31Å; N240-S244 PolarHBondContact O-N 2.96Å |
| 241 | L | 94.1 | Very high | 92.6 | Very high | 41 Ų | 41 | 65.5 Ų | 65.5 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 176.6 | 175.6 | 152.1 | 0 | 0 | 0 | 112.1 | E237 L238 D239 N243 S244 I245 I256 L257 A260 | E237-L241 VanDerWaalsContact O-CB 3.27Å; E237-L241 WeakPolarHBondContact O-CB 3.4Å; E237-L241 PolarHBondContact O-N 3.49Å; L238-L241 PolarHBondContact O-N 3.07Å; D239-L241 VanDerWaalsContact C-N 3.34Å; D239-L241 PolarHBondContact O-N 2.9Å; L241-N243 VanDerWaalsContact C-N 3.32Å; L241-N243 PolarHBondContact O-N 3.45Å; L241-S244 PolarHBondContact O-N 2.88Å; L241-S244 PolarHBondContact O-OG 3.43Å; L241-I245 HydrophobicContact CD2-CD1 4.34Å; L241-I245 WeakPolarHBondContact O-CG1 3.33Å; L241-I245 WeakPolarHBondContact O-CG2 3.27Å; L241-I245 PolarHBondContact O-N 2.95Å; L241-I256 HydrophobicContact CD1-CG2 3.94Å; L241-I256 HydrophobicContact CD2-CG2 3.54Å; L241-I256 HydrophobicContact CG-CG2 3.83Å; L241-L257 HydrophobicContact CD2-CD1 4.46Å; L241-A260 HydrophobicContact CD1-CB 4.07Å; L241-A260 HydrophobicContact CD2-CB 3.77Å |
| 242 | Y | 93 | Very high | 92.8 | Very high | 35 Ų | 35 | 70.9 Ų | 70.9 | 14% | 0.137 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.6 | -40 | 174.6 | 169.2 | -98.4 | 0 | 0 | 0 | 111.9 | Q147 V150 K151 L238 D239 I245 L257 | Q147-Y242 HydrophobicContact CB-CE2 4.03Å; Q147-Y242 HydrophobicContact CG-CE2 3.84Å; V150-Y242 HydrophobicContact CG1-CD2 4.43Å; V150-Y242 HydrophobicContact CG1-CG 4.04Å; K151-Y242 WeakPolarHBondContact CE-OH 3.33Å; L238-Y242 WeakPolarHBondContact O-CB 3.12Å; L238-Y242 PolarHBondContact O-N 3.01Å; D239-Y242 WeakPolarHBondContact O-CB 3.4Å; D239-Y242 PolarHBondContact O-N 2.91Å; Y242-I245 WeakPolarHBondContact O-CG1 3.31Å; Y242-L257 HydrophobicContact CD2-CD1 4.08Å; Y242-L257 HydrophobicContact CD2-CD2 4.29Å |
| 243 | N | 93.3 | Very high | 93 | Very high | 82 Ų | 82 | 72.9 Ų | 72.9 | 44% | 0.439 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -73.6 | -35.4 | 178.6 | -69.2 | -46.7 | 0 | 0 | 0 | 112.3 | D239 N240 L241 R246 | D239-N243 PolarHBondContact O-N 3.37Å; D239-N243 PolarHBondContact O-ND2 3.41Å; D239-N243 PolarHBondContact OD1-ND2 2.96Å; D239-N243 VanDerWaalsContact OD1-ND2 3.16Å; N240-N243 PolarHBondContact O-N 3.41Å; L241-N243 VanDerWaalsContact C-N 3.32Å; L241-N243 PolarHBondContact O-N 3.45Å; N243-R246 WeakPolarHBondContact O-CB 3.28Å; N243-R246 PolarHBondContact O-N 2.91Å |
| 244 | S | 93.2 | Very high | 93.2 | Very high | 88 Ų | 88 | 69.3 Ų | 69.3 | 62% | 0.615 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -69.5 | -34 | -179.5 | 73.8 | 0 | 0 | 0 | 0 | 113.3 | N240 L241 R246 | N240-S244 WeakPolarHBondContact O-CB 3.31Å; N240-S244 PolarHBondContact O-N 2.96Å; L241-S244 PolarHBondContact O-N 2.88Å; L241-S244 PolarHBondContact O-OG 3.43Å; S244-R246 VanDerWaalsContact C-N 3.3Å; S244-R246 PolarHBondContact O-N 3.29Å |
| 245 | I | 92.5 | Very high | 93.3 | Very high | 7 Ų | 7 | 69.1 Ų | 69.1 | 4% | 0.036 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -0.4 | -179.3 | 67.2 | -177.3 | 0 | 0 | 0 | 113.4 | L241 Y242 N247 D248 R253 I256 L257 | L241-I245 HydrophobicContact CD2-CD1 4.34Å; L241-I245 WeakPolarHBondContact O-CG1 3.33Å; L241-I245 WeakPolarHBondContact O-CG2 3.27Å; L241-I245 PolarHBondContact O-N 2.95Å; Y242-I245 WeakPolarHBondContact O-CG1 3.31Å; I245-N247 PolarHBondContact O-N 3.14Å; I245-D248 WeakPolarHBondContact O-CB 3.28Å; I245-D248 PolarHBondContact O-N 3.29Å; I245-R253 HydrophobicContact CB-CG 4.28Å; I245-R253 HydrophobicContact CD1-CB 4.37Å; I245-R253 HydrophobicContact CG1-CG 4.39Å; I245-R253 WeakPolarHBondContact O-CD 3.34Å; I245-R253 WeakPolarHBondContact O-CG 3.09Å; I245-I256 HydrophobicContact CD1-CB 4.43Å; I245-I256 HydrophobicContact CD1-CG2 4.21Å; I245-I256 HydrophobicContact CG2-CB 4.31Å; I245-I256 HydrophobicContact CG2-CD1 3.78Å; I245-I256 HydrophobicContact CG2-CG2 3.82Å; I245-L257 HydrophobicContact CD1-CB 4.18Å; I245-L257 HydrophobicContact CD1-CD1 4.45Å |
| 246 | R | 89.2 | Confident | 93.5 | Very high | 182 Ų | 182 | 71.4 Ų | 71.4 | 69% | 0.687 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -36.5 | -171.6 | -175.7 | 176.4 | 175.5 | -178.6 | -2.9 | 113.2 | N243 S244 R253 | N243-R246 WeakPolarHBondContact O-CB 3.28Å; N243-R246 PolarHBondContact O-N 2.91Å; S244-R246 VanDerWaalsContact C-N 3.3Å; S244-R246 PolarHBondContact O-N 3.29Å; R246-R253 PolarHBondContact O-NH1 2.93Å |
| 247 | N | 92.2 | Very high | 93.6 | Very high | 153 Ų | 153 | 68.5 Ų | 68.5 | 82% | 0.818 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -1.6 | -176.2 | -59.6 | -26.8 | 0 | 0 | 0 | 113.9 | I245 | I245-N247 PolarHBondContact O-N 3.14Š|
| 248 | D | 92.6 | Very high | 93.7 | Very high | 43 Ų | 43 | 67 Ų | 67 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -74.9 | 159.9 | 178 | -77.6 | -34.2 | 0 | 0 | 0 | 112.4 | I245 K252 R253 | I245-D248 WeakPolarHBondContact O-CB 3.28Å; I245-D248 PolarHBondContact O-N 3.29Å; D248-K252 HydrophobicContact CB-CB 4.26Å; D248-K252 HydrophobicContact CB-CD 3.99Å; D248-K252 HydrophobicContact CB-CG 4.18Å; D248-K252 IonicContact OD1-NZ 2.73Å; D248-K252 PolarHBondContact OD1-NZ 2.88Å; D248-K252 WeakPolarHBondContact OD2-CD 3.49Å; D248-K252 WeakPolarHBondContact OD2-CE 3.49Å; D248-K252 IonicContact OD2-NZ 2.82Å; D248-K252 PolarHBondContact OD2-NZ 3.21Å; D248-R253 HydrophobicContact CB-CG 3.73Å; D248-R253 VanDerWaalsContact O-CD 3.28Å; D248-R253 WeakPolarHBondContact O-CD 3.19Å; D248-R253 WeakPolarHBondContact O-CG 3.47Å; D248-R253 PolarHBondContact O-NE 3.16Å; D248-R253 PolarHBondContact O-NH1 2.81Å |
| 249 | G | 94.7 | Very high | 93.8 | Very high | 53 Ų | 53 | 69.6 Ų | 69.6 | 55% | 0.546 | 35% | 0.352 | S | S | . | . | trans | -60.4 | 150.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F251 K252 R253 | G249-F251 PolarHBondContact O-N 3.48Å; G249-K252 PolarHBondContact O-N 3.48Å; G249-K252 VanDerWaalsContact O-N 3.07Å; G249-R253 PolarHBondContact O-N 3.45Å | ||
| 250 | F | 94.6 | Very high | 93.8 | Very high | 51 Ų | 51 | 68.8 Ų | 68.8 | 22% | 0.224 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -51.5 | -48.3 | -172.3 | 170.9 | -101.8 | 0 | 0 | 0 | 113.8 | P139 L140 F143 K252 R253 Y254 | P139-F250 HydrophobicContact CB-CE1 4.45Å; P139-F250 HydrophobicContact CB-CZ 4.33Å; L140-F250 HydrophobicContact CD2-CD1 4.42Å; L140-F250 HydrophobicContact CD2-CD2 4.17Å; L140-F250 HydrophobicContact CD2-CE1 3.92Å; L140-F250 HydrophobicContact CD2-CE2 3.65Å; L140-F250 HydrophobicContact CD2-CZ 3.51Å; L140-F250 HydrophobicContact CG-CZ 4.15Å; F143-F250 HydrophobicContact CB-CE2 3.8Å; F143-F250 HydrophobicContact CB-CZ 4.26Å; F143-F250 HydrophobicContact CD1-CD2 4.26Å; F143-F250 AromaticContact CD1-CE2 3.83Å; F143-F250 HydrophobicContact CD1-CE2 3.83Å; F143-F250 AromaticContact CG-CE2 3.84Å; F143-F250 HydrophobicContact CG-CE2 3.84Å; F250-K252 VanDerWaalsContact C-N 3.32Å; F250-K252 PolarHBondContact O-N 2.9Å; F250-R253 PolarHBondContact O-N 3.26Å; F250-Y254 HydrophobicContact CZ-CG 4.49Å; F250-Y254 WeakPolarHBondContact O-CB 3.36Å; F250-Y254 PolarHBondContact O-N 2.91Å |
| 251 | F | 93.8 | Very high | 93.9 | Very high | 166 Ų | 166 | 63.7 Ų | 63.7 | 73% | 0.728 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.2 | -42.5 | -179.2 | -68.9 | -72.8 | 0 | 0 | 0 | 112.5 | G249 T255 | G249-F251 PolarHBondContact O-N 3.48Å; F251-T255 WeakPolarHBondContact O-CB 3.45Å; F251-T255 PolarHBondContact O-N 2.7Å; F251-T255 PolarHBondContact O-OG1 3.02Å; F251-T255 VanDerWaalsContact O-OG1 3.07Å |
| 252 | K | 94.2 | Very high | 93.9 | Very high | 114 Ų | 114 | 66.5 Ų | 66.5 | 50% | 0.496 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.8 | -47 | 177.7 | -176.4 | 174.3 | 172.7 | -153.3 | 0 | 110.7 | D248 G249 F250 Y254 T255 I256 | D248-K252 HydrophobicContact CB-CB 4.26Å; D248-K252 HydrophobicContact CB-CD 3.99Å; D248-K252 HydrophobicContact CB-CG 4.18Å; D248-K252 IonicContact OD1-NZ 2.73Å; D248-K252 PolarHBondContact OD1-NZ 2.88Å; D248-K252 WeakPolarHBondContact OD2-CD 3.49Å; D248-K252 WeakPolarHBondContact OD2-CE 3.49Å; D248-K252 IonicContact OD2-NZ 2.82Å; D248-K252 PolarHBondContact OD2-NZ 3.21Å; G249-K252 PolarHBondContact O-N 3.48Å; G249-K252 VanDerWaalsContact O-N 3.07Å; F250-K252 VanDerWaalsContact C-N 3.32Å; F250-K252 PolarHBondContact O-N 2.9Å; K252-Y254 PolarHBondContact O-N 3.23Å; K252-T255 PolarHBondContact O-N 3.29Å; K252-I256 HydrophobicContact CD-CD1 4.41Å; K252-I256 HydrophobicContact CG-CD1 3.58Å; K252-I256 HydrophobicContact CG-CG1 4.43Å; K252-I256 WeakPolarHBondContact O-CB 3.25Å; K252-I256 VanDerWaalsContact O-CG1 3.25Å; K252-I256 WeakPolarHBondContact O-CG1 3.38Å; K252-I256 PolarHBondContact O-N 3.02Å |
| 253 | R | 94.9 | Very high | 93.9 | Very high | 71 Ų | 71 | 71.7 Ų | 71.7 | 27% | 0.268 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58 | -47.5 | 176.1 | -64.4 | -165.4 | -59.6 | -140.9 | -6.9 | 112.5 | F143 I245 R246 D248 G249 F250 L257 | F143-R253 HydrophobicContact CE2-CB 3.8Å; F143-R253 HydrophobicContact CZ-CB 3.79Å; I245-R253 HydrophobicContact CB-CG 4.28Å; I245-R253 HydrophobicContact CD1-CB 4.37Å; I245-R253 HydrophobicContact CG1-CG 4.39Å; I245-R253 WeakPolarHBondContact O-CD 3.34Å; I245-R253 WeakPolarHBondContact O-CG 3.09Å; R246-R253 PolarHBondContact O-NH1 2.93Å; D248-R253 HydrophobicContact CB-CG 3.73Å; D248-R253 VanDerWaalsContact O-CD 3.28Å; D248-R253 WeakPolarHBondContact O-CD 3.19Å; D248-R253 WeakPolarHBondContact O-CG 3.47Å; D248-R253 PolarHBondContact O-NE 3.16Å; D248-R253 PolarHBondContact O-NH1 2.81Å; G249-R253 PolarHBondContact O-N 3.45Å; F250-R253 PolarHBondContact O-N 3.26Å; R253-L257 WeakPolarHBondContact O-CB 3Å; R253-L257 PolarHBondContact O-N 3.26Å |
| 254 | Y | 95.6 | Very high | 93.9 | Very high | 28 Ų | 28 | 68.3 Ų | 68.3 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.8 | -50 | -178.4 | 170.5 | -109.7 | 0 | 0 | 0 | 111.8 | P139 R142 F143 L146 F250 K252 L257 K258 | P139-Y254 HydrophobicContact CB-CE1 4.22Å; P139-Y254 HydrophobicContact CB-CE2 4.49Å; R142-Y254 HydrophobicContact CB-CE2 4.14Å; R142-Y254 HydrophobicContact CG-CE2 4.17Å; F143-Y254 HydrophobicContact CB-CD2 3.89Å; F143-Y254 HydrophobicContact CD2-CD2 4.22Å; L146-Y254 HydrophobicContact CD1-CD2 4.5Å; L146-Y254 HydrophobicContact CD1-CE2 4.29Å; F250-Y254 HydrophobicContact CZ-CG 4.49Å; F250-Y254 WeakPolarHBondContact O-CB 3.36Å; F250-Y254 PolarHBondContact O-N 2.91Å; K252-Y254 PolarHBondContact O-N 3.23Å; Y254-L257 PolarHBondContact O-N 3.2Å; Y254-K258 HydrophobicContact CE1-CD 4.25Å; Y254-K258 WeakPolarHBondContact O-CB 3.22Å; Y254-K258 PolarHBondContact O-N 3.22Å |
| 255 | T | 94.6 | Very high | 93.9 | Very high | 59 Ų | 59 | 64.5 Ų | 64.5 | 36% | 0.362 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.8 | -48.3 | -179 | -61.9 | 0 | 0 | 0 | 0 | 111.3 | F251 K252 L257 K258 D259 | F251-T255 WeakPolarHBondContact O-CB 3.45Å; F251-T255 PolarHBondContact O-N 2.7Å; F251-T255 PolarHBondContact O-OG1 3.02Å; F251-T255 VanDerWaalsContact O-OG1 3.07Å; K252-T255 PolarHBondContact O-N 3.29Å; T255-L257 PolarHBondContact O-N 3.35Å; T255-K258 PolarHBondContact O-N 3.05Å; T255-D259 WeakPolarHBondContact O-CB 3.45Å; T255-D259 PolarHBondContact O-N 3.46Å |
| 256 | I | 95 | Very high | 93.7 | Very high | 48 Ų | 48 | 68.1 Ų | 68.1 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 179.9 | -68.4 | 170.8 | 0 | 0 | 0 | 111.2 | L241 I245 K252 D259 A260 | L241-I256 HydrophobicContact CD1-CG2 3.94Å; L241-I256 HydrophobicContact CD2-CG2 3.54Å; L241-I256 HydrophobicContact CG-CG2 3.83Å; I245-I256 HydrophobicContact CD1-CB 4.43Å; I245-I256 HydrophobicContact CD1-CG2 4.21Å; I245-I256 HydrophobicContact CG2-CB 4.31Å; I245-I256 HydrophobicContact CG2-CD1 3.78Å; I245-I256 HydrophobicContact CG2-CG2 3.82Å; K252-I256 HydrophobicContact CD-CD1 4.41Å; K252-I256 HydrophobicContact CG-CD1 3.58Å; K252-I256 HydrophobicContact CG-CG1 4.43Å; K252-I256 WeakPolarHBondContact O-CB 3.25Å; K252-I256 VanDerWaalsContact O-CG1 3.25Å; K252-I256 WeakPolarHBondContact O-CG1 3.38Å; K252-I256 PolarHBondContact O-N 3.02Å; I256-D259 PolarHBondContact O-N 2.93Å; I256-A260 VanDerWaalsContact O-CB 3.31Å; I256-A260 WeakPolarHBondContact O-CB 3.34Å; I256-A260 PolarHBondContact O-N 3.02Å |
| 257 | L | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.5 | -42.5 | -178.5 | -165.6 | 62.7 | 0 | 0 | 0 | 112 | F143 L146 Q147 V150 L241 Y242 I245 R253 Y254 T255 D259 A260 V261 | F143-L257 HydrophobicContact CD2-CD2 4.12Å; F143-L257 HydrophobicContact CE2-CB 4.39Å; F143-L257 HydrophobicContact CE2-CD2 3.77Å; L146-L257 HydrophobicContact CB-CD2 3.79Å; L146-L257 HydrophobicContact CB-CG 4.18Å; Q147-L257 HydrophobicContact CG-CD2 3.9Å; V150-L257 HydrophobicContact CG2-CD1 3.9Å; L241-L257 HydrophobicContact CD2-CD1 4.46Å; Y242-L257 HydrophobicContact CD2-CD1 4.08Å; Y242-L257 HydrophobicContact CD2-CD2 4.29Å; I245-L257 HydrophobicContact CD1-CB 4.18Å; I245-L257 HydrophobicContact CD1-CD1 4.45Å; R253-L257 WeakPolarHBondContact O-CB 3Å; R253-L257 PolarHBondContact O-N 3.26Å; Y254-L257 PolarHBondContact O-N 3.2Å; T255-L257 PolarHBondContact O-N 3.35Å; L257-D259 VanDerWaalsContact C-N 3.31Å; L257-D259 PolarHBondContact O-N 3.13Å; L257-A260 PolarHBondContact O-N 3.47Å; L257-V261 WeakPolarHBondContact O-CG2 3.45Å; L257-V261 PolarHBondContact O-N 3.44Å |
| 258 | K | 95.3 | Very high | 93.4 | Very high | 53 Ų | 53 | 60 Ų | 60 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 176.1 | 178.6 | -164 | 71.8 | -175.5 | 0 | 110.9 | L146 Y254 T255 K262 | L146-K258 HydrophobicContact CD1-CB 4.02Å; Y254-K258 HydrophobicContact CE1-CD 4.25Å; Y254-K258 WeakPolarHBondContact O-CB 3.22Å; Y254-K258 PolarHBondContact O-N 3.22Å; T255-K258 PolarHBondContact O-N 3.05Å; K258-K262 VanDerWaalsContact O-CB 3.27Å; K258-K262 WeakPolarHBondContact O-CB 3.38Å; K258-K262 PolarHBondContact O-N 3.01Å |
| 259 | D | 94.5 | Very high | 93 | Very high | 58 Ų | 58 | 62.2 Ų | 62.2 | 31% | 0.31 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -72.5 | -36.6 | -178.3 | -66 | -15.3 | 0 | 0 | 0 | 111.4 | T255 I256 L257 K262 R263 | T255-D259 WeakPolarHBondContact O-CB 3.45Å; T255-D259 PolarHBondContact O-N 3.46Å; I256-D259 PolarHBondContact O-N 2.93Å; L257-D259 VanDerWaalsContact C-N 3.31Å; L257-D259 PolarHBondContact O-N 3.13Å; D259-K262 PolarHBondContact O-N 3.07Å; D259-R263 WeakPolarHBondContact O-CG 3.43Å; D259-R263 PolarHBondContact O-N 3.25Å |
| 260 | A | 94.5 | Very high | 92.4 | Very high | 5 Ų | 5 | 59.8 Ų | 59.8 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.9 | -47.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L238 L241 I256 L257 K262 R263 I264 | L238-A260 HydrophobicContact CD1-CB 3.65Å; L241-A260 HydrophobicContact CD1-CB 4.07Å; L241-A260 HydrophobicContact CD2-CB 3.77Å; I256-A260 VanDerWaalsContact O-CB 3.31Å; I256-A260 WeakPolarHBondContact O-CB 3.34Å; I256-A260 PolarHBondContact O-N 3.02Å; L257-A260 PolarHBondContact O-N 3.47Å; A260-K262 VanDerWaalsContact C-N 3.33Å; A260-K262 PolarHBondContact O-N 3.48Å; A260-R263 PolarHBondContact O-N 3.03Å; A260-I264 PolarHBondContact O-N 3.48Å |
| 261 | V | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 175.8 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | L127 Y131 L146 V150 L238 L257 R263 I264 V265 | L127-V261 HydrophobicContact CD1-CG1 4.13Å; Y131-V261 HydrophobicContact CD2-CB 4.2Å; Y131-V261 HydrophobicContact CD2-CG1 3.49Å; Y131-V261 VanDerWaalsContact CD2-CG1 3.49Å; Y131-V261 HydrophobicContact CE2-CB 4.34Å; Y131-V261 HydrophobicContact CE2-CG1 4.09Å; Y131-V261 HydrophobicContact CG-CG1 4.22Å; L146-V261 HydrophobicContact CD2-CB 4.09Å; L146-V261 HydrophobicContact CD2-CG1 4.11Å; L146-V261 HydrophobicContact CD2-CG2 4.08Å; V150-V261 HydrophobicContact CG2-CG2 3.97Å; L238-V261 HydrophobicContact CD1-CG2 4.22Å; L257-V261 WeakPolarHBondContact O-CG2 3.45Å; L257-V261 PolarHBondContact O-N 3.44Å; V261-R263 VanDerWaalsContact C-N 3.33Å; V261-R263 PolarHBondContact O-N 3.44Å; V261-I264 PolarHBondContact O-N 3.41Å; V261-V265 HydrophobicContact CG1-CG2 4.21Å; V261-V265 WeakPolarHBondContact O-CG2 3.43Å; V261-V265 PolarHBondContact O-N 2.89Å |
| 262 | K | 94.5 | Very high | 91.2 | Very high | 101 Ų | 101 | 57.8 Ų | 57.8 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.1 | -47.5 | 174.9 | -170.9 | 180 | 174.7 | -172.8 | 0 | 111.4 | Y131 K258 D259 A260 I264 V265 T266 | Y131-K262 HydrophobicContact CE2-CB 4.36Å; Y131-K262 WeakPolarHBondContact OH-CB 3.27Å; K258-K262 VanDerWaalsContact O-CB 3.27Å; K258-K262 WeakPolarHBondContact O-CB 3.38Å; K258-K262 PolarHBondContact O-N 3.01Å; D259-K262 PolarHBondContact O-N 3.07Å; A260-K262 VanDerWaalsContact C-N 3.33Å; A260-K262 PolarHBondContact O-N 3.48Å; K262-I264 VanDerWaalsContact C-N 3.27Å; K262-I264 PolarHBondContact O-N 3.02Å; K262-V265 PolarHBondContact O-N 3.27Å; K262-T266 HydrophobicContact CG-CG2 4.13Å; K262-T266 WeakPolarHBondContact O-CG2 3.08Å; K262-T266 PolarHBondContact O-N 2.86Å; K262-T266 PolarHBondContact O-OG1 3.07Å |
| 263 | R | 93.8 | Very high | 90.3 | Very high | 143 Ų | 143 | 57.8 Ų | 57.8 | 54% | 0.54 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.4 | -40.5 | 179.3 | -77.6 | -171.2 | -61.8 | -94.3 | 6.2 | 112.3 | D259 A260 V261 N267 | D259-R263 WeakPolarHBondContact O-CG 3.43Å; D259-R263 PolarHBondContact O-N 3.25Å; A260-R263 PolarHBondContact O-N 3.03Å; V261-R263 VanDerWaalsContact C-N 3.33Å; V261-R263 PolarHBondContact O-N 3.44Å; R263-N267 VanDerWaalsContact O-CB 3.26Å; R263-N267 WeakPolarHBondContact O-CB 3.43Å; R263-N267 PolarHBondContact O-N 3.02Å |
| 264 | I | 93 | Very high | 89.1 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 6% | 0.056 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.3 | -46 | 177.8 | -66.8 | 167.9 | 0 | 0 | 0 | 110.7 | L124 L127 I235 L238 A260 V261 K262 T266 N267 L270 | L124-I264 HydrophobicContact CD2-CG2 4.16Å; L127-I264 HydrophobicContact CD2-CG2 3.78Å; I235-I264 HydrophobicContact CD1-CD1 4.18Å; I235-I264 HydrophobicContact CD1-CG2 4.47Å; L238-I264 HydrophobicContact CB-CD1 3.85Å; L238-I264 HydrophobicContact CD1-CD1 4.01Å; L238-I264 HydrophobicContact CD2-CD1 3.54Å; L238-I264 HydrophobicContact CG-CD1 3.99Å; A260-I264 PolarHBondContact O-N 3.48Å; V261-I264 PolarHBondContact O-N 3.41Å; K262-I264 VanDerWaalsContact C-N 3.27Å; K262-I264 PolarHBondContact O-N 3.02Å; I264-T266 VanDerWaalsContact C-N 3.3Å; I264-T266 PolarHBondContact O-N 3.07Å; I264-N267 PolarHBondContact O-N 3.25Å; I264-L270 HydrophobicContact CB-CD1 4.49Å; I264-L270 HydrophobicContact CG2-CD1 3.87Å |
| 265 | V | 91.9 | Very high | 88.7 | Confident | 9 Ų | 9 | 59.1 Ų | 59.1 | 6% | 0.055 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.7 | -33.2 | -177.7 | 172.8 | 0 | 0 | 0 | 0 | 112.2 | L127 Q128 Y131 V261 K262 Y271 | L127-V265 HydrophobicContact CD2-CG2 4.21Å; L127-V265 HydrophobicContact CG-CG2 4.07Å; Q128-V265 HydrophobicContact CB-CG1 3.85Å; Q128-V265 HydrophobicContact CB-CG2 4.48Å; Q128-V265 HydrophobicContact CG-CG1 3.64Å; Y131-V265 HydrophobicContact CD1-CG1 4.31Å; Y131-V265 HydrophobicContact CG-CG2 4.23Å; V261-V265 HydrophobicContact CG1-CG2 4.21Å; V261-V265 WeakPolarHBondContact O-CG2 3.43Å; V261-V265 PolarHBondContact O-N 2.89Å; K262-V265 PolarHBondContact O-N 3.27Å; V265-Y271 WeakPolarHBondContact O-CE2 3.12Å |
| 266 | T | 89.8 | Confident | 88.4 | Confident | 82 Ų | 82 | 59.1 Ų | 59.1 | 50% | 0.503 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 0.2 | 179.8 | 62 | 0 | 0 | 0 | 0 | 114 | K262 I264 N268 | K262-T266 HydrophobicContact CG-CG2 4.13Å; K262-T266 WeakPolarHBondContact O-CG2 3.08Å; K262-T266 PolarHBondContact O-N 2.86Å; K262-T266 PolarHBondContact O-OG1 3.07Å; I264-T266 VanDerWaalsContact C-N 3.3Å; I264-T266 PolarHBondContact O-N 3.07Å; T266-N268 PolarHBondContact O-N 3.37Å |
| 267 | N | 89.2 | Confident | 88.1 | Confident | 40 Ų | 40 | 59.7 Ų | 59.7 | 21% | 0.214 | 30% | 0.298 | C | S | . | . | trans | -81.4 | 101.8 | -179.9 | -172.2 | -6.7 | 0 | 0 | 0 | 110.1 | R263 I264 D269 L270 Y271 | R263-N267 VanDerWaalsContact O-CB 3.26Å; R263-N267 WeakPolarHBondContact O-CB 3.43Å; R263-N267 PolarHBondContact O-N 3.02Å; I264-N267 PolarHBondContact O-N 3.25Å; N267-D269 PolarHBondContact O-N 3.38Å; N267-D269 WeakPolarHBondContact OD1-CA 3Å; N267-D269 WeakPolarHBondContact OD1-CB 3.28Å; N267-D269 PolarHBondContact OD1-N 3.06Å; N267-L270 HydrophobicContact CB-CD1 3.94Å; N267-L270 HydrophobicContact CB-CG 3.95Å; N267-L270 PolarHBondContact O-N 2.82Å; N267-Y271 VanDerWaalsContact O-CD2 3.25Å; N267-Y271 WeakPolarHBondContact O-CD2 3.43Å | ||
| 268 | N | 85.7 | Confident | 87.7 | Confident | 125 Ų | 125 | 63.2 Ų | 63.2 | 67% | 0.668 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -58.2 | -30.2 | 177.2 | -65.6 | -28 | 0 | 0 | 0 | 112.1 | T266 L270 Y271 E272 | T266-N268 PolarHBondContact O-N 3.37Å; N268-L270 PolarHBondContact O-N 3.43Å; N268-Y271 PolarHBondContact O-N 3.05Å; N268-E272 PolarHBondContact O-N 3.22Å; N268-E272 VanDerWaalsContact O-N 3.09Å |
| 269 | D | 84.5 | Confident | 87.2 | Confident | 89 Ų | 89 | 63.9 Ų | 63.9 | 48% | 0.476 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -72.1 | 12.6 | 175 | -44.4 | -22.7 | 0 | 0 | 0 | 112.7 | R227 N267 | R227-D269 PolarHBondContact NE-O 3.45Å; R227-D269 VanDerWaalsContact NH1-C 3.35Å; R227-D269 PolarHBondContact NH1-O 3.43Å; R227-D269 PolarHBondContact NH2-O 3Å; N267-D269 PolarHBondContact O-N 3.38Å; N267-D269 WeakPolarHBondContact OD1-CA 3Å; N267-D269 WeakPolarHBondContact OD1-CB 3.28Å; N267-D269 PolarHBondContact OD1-N 3.06Å |
| 270 | L | 82.3 | Confident | 86.7 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -112.5 | -13.6 | 165.1 | -54.4 | 177.5 | 0 | 0 | 0 | 112.1 | L124 L230 I231 K234 I264 N267 N268 | L124-L270 HydrophobicContact CD1-CB 4.06Å; L230-L270 HydrophobicContact CD2-CD2 4.46Å; L230-L270 HydrophobicContact CG-CD2 4.32Å; I231-L270 HydrophobicContact CG1-CB 4.33Å; I231-L270 HydrophobicContact CG1-CD2 3.66Å; K234-L270 HydrophobicContact CG-CD2 4.27Å; I264-L270 HydrophobicContact CB-CD1 4.49Å; I264-L270 HydrophobicContact CG2-CD1 3.87Å; N267-L270 HydrophobicContact CB-CD1 3.94Å; N267-L270 HydrophobicContact CB-CG 3.95Å; N267-L270 PolarHBondContact O-N 2.82Å; N268-L270 PolarHBondContact O-N 3.43Å |
| 271 | Y | 81.3 | Confident | 86.1 | Confident | 53 Ų | 53 | 68.5 Ų | 68.5 | 21% | 0.208 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -22.7 | -175.1 | -62.8 | -85.5 | 0 | 0 | 0 | 113.8 | L124 V265 N267 N268 | L124-Y271 HydrophobicContact CB-CE1 3.92Å; V265-Y271 WeakPolarHBondContact O-CE2 3.12Å; N267-Y271 VanDerWaalsContact O-CD2 3.25Å; N267-Y271 WeakPolarHBondContact O-CD2 3.43Å; N268-Y271 PolarHBondContact O-N 3.05Å |
| 272 | E | 80.6 | Confident | 85.5 | Confident | 123 Ų | 123 | 73.8 Ų | 73.8 | 58% | 0.575 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -56.4 | 139 | 176.1 | -160.7 | 178.1 | -169.2 | 0 | 0 | 111.4 | W117 R227 N268 | W117-E272 WeakPolarHBondContact CH2-O 3.4Å; W117-E272 WeakPolarHBondContact CZ2-O 3.43Å; R227-E272 PolarHBondContact NH2-O 3.46Å; N268-E272 PolarHBondContact O-N 3.22Å; N268-E272 VanDerWaalsContact O-N 3.09Å |
| 273 | N | 75.3 | Confident | 84.7 | Confident | 114 Ų | 114 | 71.5 Ų | 71.5 | 61% | 0.61 | 36% | 0.362 | S | S | * | . | trans | -70.3 | 132 | 174.9 | -63.3 | -71.5 | 0 | 0 | 0 | 109.1 | R121 | R121-N273 PolarHBondContact NH1-OD1 2.82Å; R121-N273 PolarHBondContact NH2-OD1 3.37Å | ||
| 274 | P | 69.3 | Low | 83.9 | Confident | 67 Ų | 67 | 65 Ų | 65 | 44% | 0.435 | 35% | 0.346 | S | S | . | . | trans | -68.1 | 0 | 168.9 | 28.5 | -31.2 | 0 | 0 | 0 | 112.5 | R223 L224 | R223-P274 HydrophobicContact CB-CB 4.23Å; L224-P274 HydrophobicContact CD2-CB 4.32Å; L224-P274 HydrophobicContact CD2-CG 3.36Å; L224-P274 HydrophobicContact CG-CB 4.34Å; L224-P274 HydrophobicContact CG-CG 3.85Å |
Retrieved 274 of 274 residues in 249.1 ms
(Link to these results)