| 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 | S | 40 | Very low | 44.6 | Very low | 169 Ų | 169 | 152.4 Ų | 152.4 | 100% | 1.182 | 88% | 0.877 | S | S | * | * | 0 | 111.5 | 0 | -171.2 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 2 | S | 44.5 | Very low | 44.1 | Very low | 128 Ų | 128 | 149.7 Ų | 149.7 | 90% | 0.895 | 87% | 0.874 | S | S | * | * | trans | 51.2 | 125.3 | 168.3 | -55.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 3 | G | 39.9 | Very low | 44 | Very low | 79 Ų | 79 | 147.1 Ų | 147.1 | 81% | 0.814 | 87% | 0.869 | S | S | * | * | cis | 146.4 | 118.7 | 12.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 4 | M | 52.5 | Low | 43.7 | Very low | 172 Ų | 172 | 152.1 Ų | 152.1 | 85% | 0.847 | 87% | 0.868 | S | S | * | * | trans | -64.9 | 156 | 174.2 | -84.4 | 118.3 | 114.7 | 0 | 0 | 113 | ||||
| 5 | S | 45.8 | Very low | 43.4 | Very low | 125 Ų | 125 | 153.9 Ų | 153.9 | 87% | 0.874 | 86% | 0.862 | S | S | * | * | trans | -158.3 | 110 | 143 | -93.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 6 | Y | 42 | Very low | 43 | Very low | 208 Ų | 208 | 155.7 Ų | 155.7 | 82% | 0.816 | 86% | 0.858 | S | S | * | * | trans | -80.6 | 140 | 155.8 | -73.8 | -94.9 | 0 | 0 | 0 | 108.8 | ||||
| 7 | R | 46.2 | Very low | 42.7 | Very low | 255 Ų | 255 | 156.5 Ų | 156.5 | 96% | 0.962 | 86% | 0.856 | S | S | * | * | trans | -99.5 | 115.6 | 165.6 | -90.4 | -170.9 | -175.1 | -153.9 | 2.3 | 110 | ||||
| 8 | V | 43.6 | Very low | 42.5 | Very low | 138 Ų | 138 | 159.7 Ų | 159.7 | 84% | 0.836 | 86% | 0.861 | S | S | * | * | trans | -101.2 | 139.7 | 159.8 | 174.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 9 | A | 42.9 | Very low | 42 | Very low | 92 Ų | 92 | 155.6 Ų | 155.6 | 76% | 0.76 | 86% | 0.86 | S | S | * | * | trans | -125.3 | 152.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 10 | P | 53.3 | Low | 41.4 | Very low | 122 Ų | 122 | 151.4 Ų | 151.4 | 79% | 0.792 | 85% | 0.853 | S | S | * | * | trans | -107.6 | 163.4 | -143 | 36.9 | -28.1 | 0 | 0 | 0 | 115.3 | ||||
| 11 | H | 40.2 | Very low | 40.9 | Very low | 188 Ų | 188 | 152.2 Ų | 152.2 | 87% | 0.87 | 85% | 0.85 | S | S | * | * | trans | -53.7 | 146.8 | 169.4 | -70.5 | -84.1 | 0 | 0 | 0 | 114 | ||||
| 12 | S | 38.1 | Very low | 40.8 | Very low | 120 Ų | 120 | 154.5 Ų | 154.5 | 84% | 0.839 | 83% | 0.833 | S | S | * | * | trans | -132.5 | 110.9 | 157.9 | -174.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 13 | S | 42.6 | Very low | 40.3 | Very low | 116 Ų | 116 | 156.5 Ų | 156.5 | 81% | 0.811 | 83% | 0.834 | S | S | * | * | trans | -120.6 | 112.8 | 170.3 | -94.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 14 | Y | 39.5 | Very low | 40.3 | Very low | 217 Ų | 217 | 157.3 Ų | 157.3 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | trans | -147 | 93.2 | 166.6 | -140.4 | -88.8 | 0 | 0 | 0 | 112.7 | ||||
| 15 | K | 39.3 | Very low | 39.4 | Very low | 180 Ų | 180 | 154.1 Ų | 154.1 | 78% | 0.783 | 83% | 0.834 | S | S | * | * | 27.5 | 122.5 | 128.8 | -125.3 | 177.2 | -175.7 | 175.5 | 0 | 120.7 | |||||
| 16 | K | 38 | Very low | 39 | Very low | 182 Ų | 182 | 159.1 Ų | 159.1 | 79% | 0.791 | 83% | 0.833 | S | S | * | * | 144 | 113 | 125.6 | -88.1 | -177.5 | 168.7 | 179.7 | 0 | 110.3 | |||||
| 17 | M | 37.8 | Very low | 38.5 | Very low | 169 Ų | 169 | 155.1 Ų | 155.1 | 83% | 0.833 | 84% | 0.836 | S | S | * | * | 60.6 | 87.1 | 72.3 | -67.6 | -72.1 | -74.2 | 0 | 0 | 114.5 | |||||
| 18 | F | 38.5 | Very low | 38.1 | Very low | 215 Ų | 215 | 148 Ų | 148 | 94% | 0.943 | 83% | 0.826 | S | S | * | * | trans | -163.7 | 128.8 | 142.7 | -81.5 | -75.7 | 0 | 0 | 0 | 103.8 | ||||
| 19 | G | 32.7 | Very low | 37.7 | Very low | 81 Ų | 81 | 150.6 Ų | 150.6 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | cis | 111.8 | 112 | 30.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 20 | G | 30.9 | Very low | 37.1 | Very low | 71 Ų | 71 | 150.5 Ų | 150.5 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | trans | 121.7 | 96 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 21 | E | 30.5 | Very low | 36.2 | Very low | 169 Ų | 169 | 148 Ų | 148 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | 94 | 116.7 | 87.3 | -92.6 | -165.4 | 144 | 0 | 0 | 114.2 | |||||
| 22 | R | 37.8 | Very low | 36 | Very low | 217 Ų | 217 | 149.9 Ų | 149.9 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | trans | 36.2 | 116.3 | 139.8 | -59 | 177.1 | -175.2 | -172.7 | 2.5 | 117.4 | ||||
| 23 | N | 34.5 | Very low | 35.9 | Very low | 170 Ų | 170 | 152.9 Ų | 152.9 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -146.9 | 115.8 | 133 | -101.1 | -22.6 | 0 | 0 | 0 | 111.5 | ||||
| 24 | A | 38.9 | Very low | 35.6 | Very low | 97 Ų | 97 | 156.9 Ų | 156.9 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -73.2 | 127.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 25 | A | 35 | Very low | 35.5 | Very low | 104 Ų | 104 | 151.6 Ų | 151.6 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -101.6 | 97.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 26 | R | 36.5 | Very low | 35.4 | Very low | 230 Ų | 230 | 148.5 Ų | 148.5 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | trans | -61.4 | 126.3 | 156.4 | -80.2 | 171.6 | 152.6 | -171.9 | -6.9 | 108.2 | ||||
| 27 | S | 31.9 | Very low | 35.7 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -94.5 | 105.3 | 156.7 | -176.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 28 | S | 38.2 | Very low | 35.6 | Very low | 107 Ų | 107 | 146.1 Ų | 146.1 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -107.9 | 115.2 | 162.2 | -63.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 29 | Y | 33.8 | Very low | 35.4 | Very low | 192 Ų | 192 | 146.7 Ų | 146.7 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -134.2 | 124.3 | 153.8 | 172.3 | -108.9 | 0 | 0 | 0 | 109.6 | S31 | Y29-S31 PolarHBondContact OH-O 2.87Š| ||
| 30 | S | 31.6 | Very low | 35.5 | Very low | 90 Ų | 90 | 148.4 Ų | 148.4 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | trans | -106 | 137.4 | 179.7 | 169.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 31 | S | 34.6 | Very low | 35.8 | Very low | 70 Ų | 70 | 149.7 Ų | 149.7 | 49% | 0.49 | 80% | 0.797 | S | S | . | * | trans | 59.8 | 125.2 | 151.4 | 76.5 | 0 | 0 | 0 | 0 | 118.5 | Y29 | Y29-S31 PolarHBondContact OH-O 2.87Š| ||
| 32 | R | 35 | Very low | 36.2 | Very low | 227 Ų | 227 | 153.6 Ų | 153.6 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | -170.9 | 117.6 | 111.3 | -95.2 | 156.3 | -157.9 | -142.7 | 6.4 | 110.4 | |||||
| 33 | H | 36.2 | Very low | 36.3 | Very low | 183 Ų | 183 | 146.9 Ų | 146.9 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | trans | -60 | 133.5 | 158.9 | -61 | -85 | 0 | 0 | 0 | 109.1 | ||||
| 34 | F | 36.2 | Very low | 36.5 | Very low | 200 Ų | 200 | 144.4 Ų | 144.4 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -129.6 | 104 | 158.6 | -137.7 | -89.4 | 0 | 0 | 0 | 108.6 | ||||
| 35 | S | 36.9 | Very low | 36.6 | Very low | 105 Ų | 105 | 148.9 Ų | 148.9 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 125.3 | 165.4 | 24.8 | 0 | 0 | 0 | 0 | 109 | ||
| 36 | S | 36.8 | Very low | 36.6 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 117.9 | 169.6 | 44.1 | 0 | 0 | 0 | 0 | 109.7 | ||
| 37 | P | 44.6 | Very low | 36.6 | Very low | 123 Ų | 123 | 145 Ų | 145 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 142.5 | 176.5 | 28.1 | -23.9 | 0 | 0 | 0 | 112.1 | R39 | P37-R39 PolarHBondContact O-N 3.31Š|
| 38 | L | 37.2 | Very low | 36.9 | Very low | 178 Ų | 178 | 144.8 Ų | 144.8 | 93% | 0.932 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 124.7 | 172 | -66.5 | 150.8 | 0 | 0 | 0 | 111.7 | S40 | L38-S40 PolarHBondContact O-N 3.37Š|
| 39 | R | 33.2 | Very low | 36.9 | Very low | 228 Ų | 228 | 145.4 Ų | 145.4 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -93.2 | 88.3 | 172.5 | -155.9 | 174.8 | -168.7 | -99.8 | 4.3 | 108.8 | P37 S41 | P37-R39 PolarHBondContact O-N 3.31Å; R39-S41 PolarHBondContact O-N 2.77Å | ||
| 40 | S | 35.7 | Very low | 37.2 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -75.5 | 116 | 169.7 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | L38 | L38-S40 PolarHBondContact O-N 3.37Š| ||
| 41 | S | 37.2 | Very low | 37.6 | Very low | 98 Ų | 98 | 142.4 Ų | 142.4 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | trans | -87.5 | 111.8 | 177.7 | -57.7 | 0 | 0 | 0 | 0 | 108.9 | R39 A43 | R39-S41 PolarHBondContact O-N 2.77Å; S41-A43 PolarHBondContact O-N 3.29Å | ||
| 42 | R | 38.5 | Very low | 37.8 | Very low | 252 Ų | 252 | 144.4 Ų | 144.4 | 95% | 0.951 | 82% | 0.815 | S | S | * | * | trans | -79.9 | 105.6 | 172.1 | -134.6 | 174.8 | -176.9 | 162.2 | -0.7 | 107.8 | ||||
| 43 | A | 39.9 | Very low | 38 | Very low | 75 Ų | 75 | 141.4 Ų | 141.4 | 62% | 0.62 | 81% | 0.814 | S | S | * | * | trans | -106.3 | 112.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | S41 F45 | S41-A43 PolarHBondContact O-N 3.29Å; A43-F45 HydrophobicContact CB-CE2 4.38Å | ||
| 44 | S | 38.1 | Very low | 38.1 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -83.5 | 112.2 | 171.1 | 48 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 45 | F | 42.1 | Very low | 38.2 | Very low | 190 Ų | 190 | 138.9 Ų | 138.9 | 83% | 0.833 | 81% | 0.811 | S | S | * | * | trans | -85.9 | 116.7 | 168 | -70.5 | -78.2 | 0 | 0 | 0 | 109.5 | A43 | A43-F45 HydrophobicContact CB-CE2 4.38Š| ||
| 46 | G | 34.4 | Very low | 38.2 | Very low | 78 Ų | 78 | 138.3 Ų | 138.3 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -76.1 | 125.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 47 | L | 36.7 | Very low | 38.1 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -90.3 | 113.2 | 170.5 | -73.2 | 151.6 | 0 | 0 | 0 | 107.9 | ||||
| 48 | S | 37.1 | Very low | 37.8 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 119 | 165.7 | 59.9 | 0 | 0 | 0 | 0 | 109.5 | ||
| 49 | S | 38.1 | Very low | 37.8 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 139.2 | 176.1 | 36.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 50 | A | 40 | Very low | 37.9 | Very low | 92 Ų | 92 | 143.8 Ų | 143.8 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 147.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 51 | P | 41.9 | Very low | 37.9 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 140.5 | -178.5 | 33.5 | -30.8 | 0 | 0 | 0 | 112.7 | ||
| 52 | T | 38 | Very low | 37.8 | Very low | 113 Ų | 113 | 153.4 Ų | 153.4 | 69% | 0.693 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 132.1 | 172.8 | -54.8 | 0 | 0 | 0 | 0 | 112.3 | Y54 | T52-Y54 HydrophobicContact CG2-CE2 4.37Š|
| 53 | I | 39.9 | Very low | 37.7 | Very low | 163 Ų | 163 | 147.1 Ų | 147.1 | 84% | 0.836 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -93 | 117.5 | 169.6 | -61.9 | 177.2 | 0 | 0 | 0 | 108.4 | ||
| 54 | Y | 37.9 | Very low | 37.6 | Very low | 214 Ų | 214 | 149.4 Ų | 149.4 | 84% | 0.839 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 120.3 | 169.1 | -77.4 | -86 | 0 | 0 | 0 | 110.1 | T52 | T52-Y54 HydrophobicContact CG2-CE2 4.37Š|
| 55 | S | 37.4 | Very low | 37.6 | Very low | 117 Ų | 117 | 148.6 Ų | 148.6 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 116.8 | 169.1 | 178.4 | 0 | 0 | 0 | 0 | 109.4 | ||
| 56 | A | 37 | Very low | 37.4 | Very low | 92 Ų | 92 | 144.4 Ų | 144.4 | 76% | 0.76 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 116.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | T58 | A56-T58 PolarHBondContact O-N 3.49Š|
| 57 | K | 35.9 | Very low | 37.7 | Very low | 198 Ų | 198 | 149.1 Ų | 149.1 | 86% | 0.861 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 122.3 | 171.4 | -84.4 | 173.9 | 174.1 | 173 | 0 | 110.2 | ||
| 58 | T | 38.3 | Very low | 37.9 | Very low | 134 Ų | 134 | 146.2 Ų | 146.2 | 82% | 0.822 | 83% | 0.833 | S | S | * | * | trans | -79.9 | 113.5 | 167 | 50.3 | 0 | 0 | 0 | 0 | 110.3 | A56 | A56-T58 PolarHBondContact O-N 3.49Š| ||
| 59 | Q | 36.1 | Very low | 37.8 | Very low | 189 Ų | 189 | 152.6 Ų | 152.6 | 88% | 0.883 | 84% | 0.839 | S | S | * | * | trans | -78 | 119.6 | 165.2 | -83.2 | 178.1 | -45.2 | 0 | 0 | 109.7 | ||||
| 60 | R | 35.4 | Very low | 37.8 | Very low | 239 Ų | 239 | 155.2 Ų | 155.2 | 90% | 0.902 | 84% | 0.842 | S | S | * | * | trans | -90.4 | 114.5 | 164.6 | -86.3 | -179.7 | 170.7 | 176.5 | -2.2 | 108.6 | ||||
| 61 | L | 36.2 | Very low | 37.5 | Very low | 173 Ų | 173 | 155.7 Ų | 155.7 | 91% | 0.906 | 85% | 0.846 | S | S | * | * | trans | -89.7 | 115.1 | 163.9 | -71.3 | 165.4 | 0 | 0 | 0 | 108.2 | ||||
| 62 | R | 33.9 | Very low | 37.1 | Very low | 242 Ų | 242 | 154.1 Ų | 154.1 | 91% | 0.913 | 84% | 0.838 | S | S | * | * | trans | -91.2 | 114.8 | 166.2 | -92.9 | -177.4 | 168.7 | -179.8 | -3.3 | 108 | ||||
| 63 | S | 36.9 | Very low | 37.1 | Very low | 120 Ų | 120 | 156.4 Ų | 156.4 | 84% | 0.839 | 84% | 0.841 | S | S | * | * | trans | -81.6 | 122.7 | 168.1 | 47.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 64 | S | 38.3 | Very low | 37.1 | Very low | 123 Ų | 123 | 156.2 Ų | 156.2 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | trans | -139.3 | 86.9 | 162.6 | 61.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 65 | A | 37.8 | Very low | 37.6 | Very low | 102 Ų | 102 | 153.4 Ų | 153.4 | 84% | 0.843 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 127.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 66 | A | 37.3 | Very low | 38.2 | Very low | 102 Ų | 102 | 152.6 Ų | 152.6 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 138.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 67 | M | 40.7 | Very low | 38.9 | Very low | 177 Ų | 177 | 155.6 Ų | 155.6 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 145.6 | -176.6 | -69.6 | -79 | -104.8 | 0 | 0 | 113.2 | ||
| 68 | P | 42.7 | Very low | 40 | Very low | 115 Ų | 115 | 150.6 Ų | 150.6 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 148.2 | 160.7 | 22.6 | -11.7 | 0 | 0 | 0 | 110.9 | ||
| 69 | R | 34.4 | Very low | 40.9 | Very low | 253 Ų | 253 | 149.2 Ų | 149.2 | 96% | 0.955 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 142.2 | 178.7 | -74.3 | -177.9 | 160.1 | -145.8 | -3.5 | 111.9 | ||
| 70 | L | 37.8 | Very low | 41.9 | Very low | 176 Ų | 176 | 143.6 Ų | 143.6 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 144.4 | 177.3 | -67.7 | 164.5 | 0 | 0 | 0 | 113.2 | ||
| 71 | A | 34 | Very low | 43.1 | Very low | 102 Ų | 102 | 138 Ų | 138 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | 179.8 | 132.6 | 138.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 72 | S | 34.1 | Very low | 44.4 | Very low | 92 Ų | 92 | 131.9 Ų | 131.9 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | cis | -158 | 153.3 | 28.5 | -169.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 73 | E | 36.1 | Very low | 45.9 | Very low | 161 Ų | 161 | 125 Ų | 125 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | trans | 59.1 | 106.5 | 150.3 | -76.8 | 159.9 | 145.6 | 0 | 0 | 121.2 | ||||
| 74 | N | 40 | Very low | 47.4 | Very low | 159 Ų | 159 | 123.5 Ų | 123.5 | 85% | 0.85 | 71% | 0.707 | S | S | * | * | 176.4 | 131.6 | 98.5 | -88.2 | -63 | 0 | 0 | 0 | 109.1 | D76 | N74-D76 PolarHBondContact O-N 2.74Š| |||
| 75 | L | 49.9 | Very low | 49 | Very low | 156 Ų | 156 | 120.8 Ų | 120.8 | 82% | 0.817 | 69% | 0.688 | S | S | * | * | trans | -76.7 | 113.2 | -179.4 | -76.1 | 159 | 0 | 0 | 0 | 110.5 | F77 | L75-F77 HydrophobicContact CB-CD2 4.43Å; L75-F77 HydrophobicContact CB-CE2 4.31Å; L75-F77 HydrophobicContact CD2-CE2 4.16Å | ||
| 76 | D | 48.9 | Very low | 50.7 | Low | 100 Ų | 100 | 121.6 Ų | 121.6 | 54% | 0.535 | 68% | 0.675 | S | S | . | * | trans | -112.6 | 102.9 | 166.9 | -173 | 6.9 | 0 | 0 | 0 | 110.3 | N74 S78 | N74-D76 PolarHBondContact O-N 2.74Å; D76-S78 VanDerWaalsContact C-N 3.29Å; D76-S78 PolarHBondContact O-N 3.05Å; D76-S78 PolarHBondContact OD1-N 3Å | ||
| 77 | F | 53 | Low | 52.6 | Low | 154 Ų | 154 | 122.7 Ų | 122.7 | 68% | 0.675 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -75 | -12.2 | -177 | -90 | -91.9 | 0 | 0 | 0 | 113.5 | L75 | L75-F77 HydrophobicContact CB-CD2 4.43Å; L75-F77 HydrophobicContact CB-CE2 4.31Å; L75-F77 HydrophobicContact CD2-CE2 4.16Å |
| 78 | S | 57.6 | Low | 54.3 | Low | 94 Ų | 94 | 118.5 Ų | 118.5 | 66% | 0.657 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -79.9 | -24.7 | 176.1 | -169.2 | 0 | 0 | 0 | 0 | 113 | D76 | D76-S78 VanDerWaalsContact C-N 3.29Å; D76-S78 PolarHBondContact O-N 3.05Å; D76-S78 PolarHBondContact OD1-N 3Å |
| 79 | L | 57.3 | Low | 56 | Low | 105 Ų | 105 | 116.3 Ų | 116.3 | 55% | 0.55 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -78.7 | -30.2 | 177.5 | -170.3 | 65.4 | 0 | 0 | 0 | 111.7 | I83 | L79-I83 HydrophobicContact CD1-CD1 4.49Å; L79-I83 HydrophobicContact CD2-CD1 4.45Å; L79-I83 HydrophobicContact CG-CD1 3.87Å; L79-I83 WeakPolarHBondContact O-CB 3.48Å; L79-I83 WeakPolarHBondContact O-CD1 3.26Å; L79-I83 WeakPolarHBondContact O-CG1 3.35Å; L79-I83 PolarHBondContact O-N 3.21Å |
| 80 | S | 57.5 | Low | 58.2 | Low | 70 Ų | 70 | 109 Ų | 109 | 49% | 0.49 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -71.5 | -36.8 | -177.4 | -62.3 | 0 | 0 | 0 | 0 | 113.5 | N84 | S80-N84 WeakPolarHBondContact O-CB 3.28Å; S80-N84 PolarHBondContact O-N 2.86Å |
| 81 | D | 61.3 | Low | 60.4 | Low | 121 Ų | 121 | 108.3 Ų | 108.3 | 65% | 0.647 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73 | -34.9 | 175.8 | -91.4 | -15 | 0 | 0 | 0 | 112.5 | N84 S85 | D81-N84 PolarHBondContact O-N 2.92Å; D81-S85 WeakPolarHBondContact O-CB 3.42Å; D81-S85 PolarHBondContact O-N 3.19Å |
| 82 | A | 62.7 | Low | 62.7 | Low | 46 Ų | 46 | 107 Ų | 107 | 38% | 0.38 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.2 | -47.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111 | N84 S85 E86 | A82-N84 VanDerWaalsContact C-N 3.34Å; A82-N84 PolarHBondContact O-N 3.39Å; A82-S85 PolarHBondContact O-N 2.83Å; A82-S85 PolarHBondContact O-OG 3.48Å; A82-E86 WeakPolarHBondContact O-CG 3.4Å; A82-E86 PolarHBondContact O-N 3.24Å |
| 83 | I | 64.9 | Low | 65 | Low | 97 Ų | 97 | 107 Ų | 107 | 50% | 0.497 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.9 | -38.4 | 176.1 | -68.4 | 167.2 | 0 | 0 | 0 | 111.7 | L79 E86 F87 | L79-I83 HydrophobicContact CD1-CD1 4.49Å; L79-I83 HydrophobicContact CD2-CD1 4.45Å; L79-I83 HydrophobicContact CG-CD1 3.87Å; L79-I83 WeakPolarHBondContact O-CB 3.48Å; L79-I83 WeakPolarHBondContact O-CD1 3.26Å; L79-I83 WeakPolarHBondContact O-CG1 3.35Å; L79-I83 PolarHBondContact O-N 3.21Å; I83-E86 PolarHBondContact O-N 2.95Å; I83-F87 VanDerWaalsContact O-CB 3.3Å; I83-F87 WeakPolarHBondContact O-CB 3.48Å; I83-F87 PolarHBondContact O-N 3.3Å |
| 84 | N | 69.9 | Low | 67.3 | Low | 89 Ų | 89 | 105.3 Ų | 105.3 | 48% | 0.476 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.8 | -37.6 | 177 | -165.2 | 25.2 | 0 | 0 | 0 | 111.7 | S80 D81 A82 F87 I88 | S80-N84 WeakPolarHBondContact O-CB 3.28Å; S80-N84 PolarHBondContact O-N 2.86Å; D81-N84 PolarHBondContact O-N 2.92Å; A82-N84 VanDerWaalsContact C-N 3.34Å; A82-N84 PolarHBondContact O-N 3.39Å; N84-F87 PolarHBondContact O-N 3.24Å; N84-I88 VanDerWaalsContact O-CG1 3.27Å; N84-I88 WeakPolarHBondContact O-CG1 3.21Å; N84-I88 PolarHBondContact O-N 3.41Å |
| 85 | S | 71.7 | Confident | 69.5 | Low | 66 Ų | 66 | 104.7 Ų | 104.7 | 46% | 0.462 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 173.3 | 82.6 | 0 | 0 | 0 | 0 | 111.9 | D81 A82 F87 I88 T89 | D81-S85 WeakPolarHBondContact O-CB 3.42Å; D81-S85 PolarHBondContact O-N 3.19Å; A82-S85 PolarHBondContact O-N 2.83Å; A82-S85 PolarHBondContact O-OG 3.48Å; S85-F87 VanDerWaalsContact C-N 3.33Å; S85-F87 PolarHBondContact O-N 3.2Å; S85-I88 PolarHBondContact O-N 2.95Å; S85-T89 WeakPolarHBondContact O-CG2 3.22Å; S85-T89 PolarHBondContact O-N 3.48Å; S85-T89 PolarHBondContact O-OG1 2.9Å |
| 86 | E | 72.7 | Confident | 71.2 | Confident | 119 Ų | 119 | 99.8 Ų | 99.8 | 56% | 0.556 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.3 | -33.8 | 174.1 | -74.2 | -170.5 | 171.5 | 0 | 0 | 112.3 | A82 I83 T89 N90 | A82-E86 WeakPolarHBondContact O-CG 3.4Å; A82-E86 PolarHBondContact O-N 3.24Å; I83-E86 PolarHBondContact O-N 2.95Å; E86-T89 VanDerWaalsContact CA-OG1 3.32Å; E86-T89 WeakPolarHBondContact CA-OG1 3.3Å; E86-T89 PolarHBondContact O-OG1 3.36Å; E86-N90 WeakPolarHBondContact O-CB 3.29Å; E86-N90 PolarHBondContact O-N 3.29Å; E86-N90 PolarHBondContact O-ND2 2.88Å |
| 87 | F | 77.1 | Confident | 72.8 | Confident | 124 Ų | 124 | 101.4 Ų | 101.4 | 54% | 0.544 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.4 | -42.1 | 175.1 | -176.6 | -101.1 | 0 | 0 | 0 | 112 | I83 N84 S85 R91 | I83-F87 VanDerWaalsContact O-CB 3.3Å; I83-F87 WeakPolarHBondContact O-CB 3.48Å; I83-F87 PolarHBondContact O-N 3.3Å; N84-F87 PolarHBondContact O-N 3.24Å; S85-F87 VanDerWaalsContact C-N 3.33Å; S85-F87 PolarHBondContact O-N 3.2Å; F87-R91 VanDerWaalsContact O-CB 3.24Å; F87-R91 WeakPolarHBondContact O-CB 3.29Å; F87-R91 PolarHBondContact O-N 2.85Å |
| 88 | I | 77.7 | Confident | 74.4 | Confident | 90 Ų | 90 | 98.8 Ų | 98.8 | 46% | 0.462 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 175.4 | -65.9 | -74.8 | 0 | 0 | 0 | 110.1 | N84 S85 R91 T92 | N84-I88 VanDerWaalsContact O-CG1 3.27Å; N84-I88 WeakPolarHBondContact O-CG1 3.21Å; N84-I88 PolarHBondContact O-N 3.41Å; S85-I88 PolarHBondContact O-N 2.95Å; I88-R91 PolarHBondContact O-N 3.4Å; I88-T92 HydrophobicContact CG2-CG2 4.42Å; I88-T92 WeakPolarHBondContact O-CB 3.44Å; I88-T92 VanDerWaalsContact O-CG2 3.29Å; I88-T92 WeakPolarHBondContact O-CG2 3.19Å; I88-T92 PolarHBondContact O-N 2.79Å; I88-T92 PolarHBondContact O-OG1 2.88Å; I88-T92 VanDerWaalsContact O-OG1 3.08Å |
| 89 | T | 77.3 | Confident | 75.8 | Confident | 68 Ų | 68 | 99.6 Ų | 99.6 | 42% | 0.417 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 177.8 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | S85 E86 R91 T92 N93 | S85-T89 WeakPolarHBondContact O-CG2 3.22Å; S85-T89 PolarHBondContact O-N 3.48Å; S85-T89 PolarHBondContact O-OG1 2.9Å; E86-T89 VanDerWaalsContact CA-OG1 3.32Å; E86-T89 WeakPolarHBondContact CA-OG1 3.3Å; E86-T89 PolarHBondContact O-OG1 3.36Å; T89-R91 PolarHBondContact O-N 3.46Å; T89-T92 WeakPolarHBondContact CA-OG1 3.25Å; T89-T92 PolarHBondContact O-N 3.23Å; T89-T92 PolarHBondContact O-OG1 2.89Å; T89-N93 WeakPolarHBondContact O-CB 3.32Å; T89-N93 PolarHBondContact O-N 3.48Å |
| 90 | N | 80.1 | Confident | 77.3 | Confident | 99 Ų | 99 | 98.1 Ų | 98.1 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 175.5 | -75.6 | -17.8 | 0 | 0 | 0 | 112.2 | E86 T92 N93 E94 | E86-N90 WeakPolarHBondContact O-CB 3.29Å; E86-N90 PolarHBondContact O-N 3.29Å; E86-N90 PolarHBondContact O-ND2 2.88Å; N90-T92 PolarHBondContact O-N 3.02Å; N90-N93 PolarHBondContact O-N 3.33Å; N90-E94 WeakPolarHBondContact O-CB 3.34Å; N90-E94 PolarHBondContact O-N 3.49Å |
| 91 | R | 84.1 | Confident | 78.8 | Confident | 162 Ų | 162 | 98.9 Ų | 98.9 | 61% | 0.611 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.4 | -34.8 | 177.4 | -162.2 | 173.4 | 97.8 | 107.2 | -3.7 | 112.5 | F87 I88 T89 K95 | F87-R91 VanDerWaalsContact O-CB 3.24Å; F87-R91 WeakPolarHBondContact O-CB 3.29Å; F87-R91 PolarHBondContact O-N 2.85Å; I88-R91 PolarHBondContact O-N 3.4Å; T89-R91 PolarHBondContact O-N 3.46Å; R91-K95 WeakPolarHBondContact O-CB 3.47Å; R91-K95 PolarHBondContact O-N 3.28Å |
| 92 | T | 82.2 | Confident | 80.2 | Confident | 75 Ų | 75 | 97.4 Ų | 97.4 | 46% | 0.46 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.7 | -37.6 | 173 | 54.8 | 0 | 0 | 0 | 0 | 112 | I88 T89 N90 K95 A96 | I88-T92 HydrophobicContact CG2-CG2 4.42Å; I88-T92 WeakPolarHBondContact O-CB 3.44Å; I88-T92 VanDerWaalsContact O-CG2 3.29Å; I88-T92 WeakPolarHBondContact O-CG2 3.19Å; I88-T92 PolarHBondContact O-N 2.79Å; I88-T92 PolarHBondContact O-OG1 2.88Å; I88-T92 VanDerWaalsContact O-OG1 3.08Å; T89-T92 WeakPolarHBondContact CA-OG1 3.25Å; T89-T92 PolarHBondContact O-N 3.23Å; T89-T92 PolarHBondContact O-OG1 2.89Å; N90-T92 PolarHBondContact O-N 3.02Å; T92-K95 PolarHBondContact O-N 3.22Å; T92-A96 WeakPolarHBondContact O-CB 3.33Å; T92-A96 PolarHBondContact O-N 2.87Å |
| 93 | N | 83.7 | Confident | 81.5 | Confident | 93 Ų | 93 | 100 Ų | 100 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.3 | -44 | 174.5 | -80.7 | -19.3 | 0 | 0 | 0 | 111.6 | T89 N90 K95 A96 Q97 | T89-N93 WeakPolarHBondContact O-CB 3.32Å; T89-N93 PolarHBondContact O-N 3.48Å; N90-N93 PolarHBondContact O-N 3.33Å; N93-K95 VanDerWaalsContact C-N 3.35Å; N93-A96 PolarHBondContact O-N 3.24Å; N93-Q97 WeakPolarHBondContact O-CG 3.2Å; N93-Q97 PolarHBondContact O-N 2.96Å |
| 94 | E | 84.6 | Confident | 82.7 | Confident | 124 Ų | 124 | 104.5 Ų | 104.5 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.3 | -41.7 | 174.8 | -170.6 | -179.8 | -172.2 | 0 | 0 | 111 | N90 A96 Q97 M98 | N90-E94 WeakPolarHBondContact O-CB 3.34Å; N90-E94 PolarHBondContact O-N 3.49Å; E94-A96 PolarHBondContact O-N 3.36Å; E94-Q97 PolarHBondContact O-N 2.96Å; E94-M98 WeakPolarHBondContact O-CB 3.49Å; E94-M98 VanDerWaalsContact O-CG 3.3Å; E94-M98 WeakPolarHBondContact O-CG 2.97Å; E94-M98 PolarHBondContact O-N 3.28Å |
| 95 | K | 85.7 | Confident | 83.7 | Confident | 147 Ų | 147 | 105.8 Ų | 105.8 | 64% | 0.639 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.8 | -41.9 | 173.7 | -173.3 | -179.5 | 178.2 | -173.9 | 0 | 111.9 | R91 T92 N93 M98 Q99 | R91-K95 WeakPolarHBondContact O-CB 3.47Å; R91-K95 PolarHBondContact O-N 3.28Å; T92-K95 PolarHBondContact O-N 3.22Å; N93-K95 VanDerWaalsContact C-N 3.35Å; K95-M98 PolarHBondContact O-N 3.45Å; K95-Q99 WeakPolarHBondContact O-CB 3.3Å; K95-Q99 PolarHBondContact O-N 3.47Å |
| 96 | A | 84.9 | Confident | 84.7 | Confident | 53 Ų | 53 | 105.2 Ų | 105.2 | 44% | 0.438 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67 | -37.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T92 N93 E94 Q99 S100 | T92-A96 WeakPolarHBondContact O-CB 3.33Å; T92-A96 PolarHBondContact O-N 2.87Å; N93-A96 PolarHBondContact O-N 3.24Å; E94-A96 PolarHBondContact O-N 3.36Å; A96-Q99 PolarHBondContact O-N 3.38Å; A96-S100 PolarHBondContact O-N 3.3Å |
| 97 | Q | 83.6 | Confident | 85.6 | Confident | 134 Ų | 134 | 102.7 Ų | 102.7 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66 | -45.1 | 173.2 | -73.2 | 177.9 | 13.8 | 0 | 0 | 111.6 | N93 E94 Q99 S100 L101 | N93-Q97 WeakPolarHBondContact O-CG 3.2Å; N93-Q97 PolarHBondContact O-N 2.96Å; E94-Q97 PolarHBondContact O-N 2.96Å; Q97-Q99 VanDerWaalsContact C-N 3.25Å; Q97-Q99 PolarHBondContact O-N 2.89Å; Q97-S100 PolarHBondContact O-N 3.5Å; Q97-S100 PolarHBondContact O-OG 2.9Å; Q97-L101 WeakPolarHBondContact O-CB 3.32Å; Q97-L101 PolarHBondContact O-N 3.35Å |
| 98 | M | 85.9 | Confident | 86.5 | Confident | 99 Ų | 99 | 104.4 Ų | 104.4 | 49% | 0.488 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -34.8 | 174.7 | -73.9 | -60.3 | -63.2 | 0 | 0 | 112 | E94 K95 N102 | E94-M98 WeakPolarHBondContact O-CB 3.49Å; E94-M98 VanDerWaalsContact O-CG 3.3Å; E94-M98 WeakPolarHBondContact O-CG 2.97Å; E94-M98 PolarHBondContact O-N 3.28Å; K95-M98 PolarHBondContact O-N 3.45Å; M98-N102 VanDerWaalsContact O-CB 3.31Å; M98-N102 WeakPolarHBondContact O-CB 3.44Å; M98-N102 PolarHBondContact O-N 3.47Å; M98-N102 PolarHBondContact O-ND2 3.29Å |
| 99 | Q | 87 | Confident | 87.2 | Confident | 111 Ų | 111 | 104.3 Ų | 104.3 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.9 | -46.2 | 174.9 | -168.4 | 158 | 5.5 | 0 | 0 | 111.6 | K95 A96 Q97 L101 N102 D103 | K95-Q99 WeakPolarHBondContact O-CB 3.3Å; K95-Q99 PolarHBondContact O-N 3.47Å; A96-Q99 PolarHBondContact O-N 3.38Å; Q97-Q99 VanDerWaalsContact C-N 3.25Å; Q97-Q99 PolarHBondContact O-N 2.89Å; Q99-L101 VanDerWaalsContact C-N 3.29Å; Q99-L101 PolarHBondContact O-N 3.24Å; Q99-N102 PolarHBondContact O-N 3.49Å; Q99-D103 PolarHBondContact O-N 2.72Å |
| 100 | S | 89.2 | Confident | 87.9 | Confident | 74 Ų | 74 | 107.8 Ų | 107.8 | 52% | 0.517 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.3 | -34.4 | 176.5 | 86.5 | 0 | 0 | 0 | 0 | 112.8 | A96 Q97 R104 | A96-S100 PolarHBondContact O-N 3.3Å; Q97-S100 PolarHBondContact O-N 3.5Å; Q97-S100 PolarHBondContact O-OG 2.9Å; S100-R104 WeakPolarHBondContact O-CB 3.5Å; S100-R104 PolarHBondContact O-N 2.83Å |
| 101 | L | 89.5 | Confident | 88.6 | Confident | 86 Ų | 86 | 108.5 Ų | 108.5 | 45% | 0.45 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.8 | -43.6 | 175 | -148 | 92.3 | 0 | 0 | 0 | 111.1 | Q97 Q99 R104 F105 | Q97-L101 WeakPolarHBondContact O-CB 3.32Å; Q97-L101 PolarHBondContact O-N 3.35Å; Q99-L101 VanDerWaalsContact C-N 3.29Å; Q99-L101 PolarHBondContact O-N 3.24Å; L101-R104 PolarHBondContact O-N 3.43Å; L101-F105 HydrophobicContact CD2-CD2 4.32Å; L101-F105 HydrophobicContact CD2-CE2 3.59Å; L101-F105 HydrophobicContact CD2-CZ 4.36Å; L101-F105 HydrophobicContact CG-CD2 4.4Å; L101-F105 HydrophobicContact CG-CE2 4.01Å; L101-F105 VanDerWaalsContact O-CD2 3.26Å; L101-F105 WeakPolarHBondContact O-CD2 3.4Å; L101-F105 PolarHBondContact O-N 3.28Å |
| 102 | N | 89.3 | Confident | 89.2 | Confident | 90 Ų | 90 | 103 Ų | 103 | 48% | 0.481 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 175.3 | -83.5 | -25 | 0 | 0 | 0 | 112.2 | M98 Q99 R104 F105 A106 | M98-N102 VanDerWaalsContact O-CB 3.31Å; M98-N102 WeakPolarHBondContact O-CB 3.44Å; M98-N102 PolarHBondContact O-N 3.47Å; M98-N102 PolarHBondContact O-ND2 3.29Å; Q99-N102 PolarHBondContact O-N 3.49Å; N102-R104 VanDerWaalsContact C-N 3.27Å; N102-R104 PolarHBondContact O-N 2.95Å; N102-F105 PolarHBondContact O-N 3.41Å; N102-A106 WeakPolarHBondContact O-CB 3.35Å; N102-A106 PolarHBondContact O-N 2.92Å |
| 103 | D | 90.4 | Very high | 89.7 | Confident | 100 Ų | 100 | 107.7 Ų | 107.7 | 54% | 0.535 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.4 | -37.3 | 175.3 | -66.8 | -22.3 | 0 | 0 | 0 | 110.8 | Q99 A106 S107 | Q99-D103 PolarHBondContact O-N 2.72Å; D103-A106 PolarHBondContact O-N 2.91Å; D103-S107 PolarHBondContact O-N 3.4Å |
| 104 | R | 91 | Very high | 90.3 | Very high | 192 Ų | 192 | 108.6 Ų | 108.6 | 73% | 0.725 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.6 | -33.9 | 173.8 | -165.8 | 174.9 | -179.3 | 179.4 | 0.1 | 112.9 | S100 L101 N102 S107 Y108 | S100-R104 WeakPolarHBondContact O-CB 3.5Å; S100-R104 PolarHBondContact O-N 2.83Å; L101-R104 PolarHBondContact O-N 3.43Å; N102-R104 VanDerWaalsContact C-N 3.27Å; N102-R104 PolarHBondContact O-N 2.95Å; R104-S107 PolarHBondContact O-OG 3.31Å; R104-Y108 PolarHBondContact O-N 2.88Å; R104-Y108 VanDerWaalsContact O-N 3.08Å |
| 105 | F | 90.8 | Very high | 90.7 | Very high | 116 Ų | 116 | 106.1 Ų | 106.1 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.2 | -39.8 | 171.9 | -79.4 | -52.3 | 0 | 0 | 0 | 112.1 | L101 N102 S107 Y108 I109 | L101-F105 HydrophobicContact CD2-CD2 4.32Å; L101-F105 HydrophobicContact CD2-CE2 3.59Å; L101-F105 HydrophobicContact CD2-CZ 4.36Å; L101-F105 HydrophobicContact CG-CD2 4.4Å; L101-F105 HydrophobicContact CG-CE2 4.01Å; L101-F105 VanDerWaalsContact O-CD2 3.26Å; L101-F105 WeakPolarHBondContact O-CD2 3.4Å; L101-F105 PolarHBondContact O-N 3.28Å; N102-F105 PolarHBondContact O-N 3.41Å; F105-S107 VanDerWaalsContact C-N 3.33Å; F105-S107 PolarHBondContact O-N 3.19Å; F105-Y108 PolarHBondContact O-N 2.9Å; F105-I109 VanDerWaalsContact O-CG1 3.27Å; F105-I109 WeakPolarHBondContact O-CG1 3.35Å; F105-I109 PolarHBondContact O-N 3.04Å |
| 106 | A | 91.2 | Very high | 91.1 | Very high | 54 Ų | 54 | 104.9 Ų | 104.9 | 45% | 0.446 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | N102 D103 Y108 I109 E110 | N102-A106 WeakPolarHBondContact O-CB 3.35Å; N102-A106 PolarHBondContact O-N 2.92Å; D103-A106 PolarHBondContact O-N 2.91Å; A106-Y108 VanDerWaalsContact C-N 3.35Å; A106-Y108 PolarHBondContact O-N 2.89Å; A106-I109 PolarHBondContact O-N 2.87Å; A106-E110 WeakPolarHBondContact O-CB 3.4Å; A106-E110 PolarHBondContact O-N 3.31Å |
| 107 | S | 92.7 | Very high | 91.6 | Very high | 66 Ų | 66 | 108.5 Ų | 108.5 | 46% | 0.462 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66 | -34.6 | 176.4 | 72.3 | 0 | 0 | 0 | 0 | 113.1 | D103 R104 F105 K111 | D103-S107 PolarHBondContact O-N 3.4Å; R104-S107 PolarHBondContact O-OG 3.31Å; F105-S107 VanDerWaalsContact C-N 3.33Å; F105-S107 PolarHBondContact O-N 3.19Å; S107-K111 WeakPolarHBondContact O-CB 3.5Å; S107-K111 PolarHBondContact O-N 2.86Å |
| 108 | Y | 94.8 | Very high | 92.2 | Very high | 159 Ų | 159 | 106.3 Ų | 106.3 | 62% | 0.624 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.1 | -43 | 173.3 | -167.1 | -99.1 | 0 | 0 | 0 | 112.3 | R104 F105 A106 E110 K111 V112 | R104-Y108 PolarHBondContact O-N 2.88Å; R104-Y108 VanDerWaalsContact O-N 3.08Å; F105-Y108 PolarHBondContact O-N 2.9Å; A106-Y108 VanDerWaalsContact C-N 3.35Å; A106-Y108 PolarHBondContact O-N 2.89Å; Y108-E110 VanDerWaalsContact C-N 3.3Å; Y108-E110 PolarHBondContact O-N 2.96Å; Y108-K111 WeakPolarHBondContact O-CB 3.39Å; Y108-K111 PolarHBondContact O-N 3.4Å; Y108-V112 HydrophobicContact CD1-CG2 3.99Å; Y108-V112 HydrophobicContact CE1-CG2 3.7Å; Y108-V112 WeakPolarHBondContact O-CG2 3.29Å; Y108-V112 PolarHBondContact O-N 2.99Å |
| 109 | I | 92.5 | Very high | 92.5 | Very high | 89 Ų | 89 | 106 Ų | 106 | 46% | 0.456 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 175.6 | -70 | 166.3 | 0 | 0 | 0 | 110.3 | F105 A106 K111 V112 R113 | F105-I109 VanDerWaalsContact O-CG1 3.27Å; F105-I109 WeakPolarHBondContact O-CG1 3.35Å; F105-I109 PolarHBondContact O-N 3.04Å; A106-I109 PolarHBondContact O-N 2.87Å; I109-K111 VanDerWaalsContact C-N 3.33Å; I109-K111 PolarHBondContact O-N 3.38Å; I109-V112 PolarHBondContact O-N 3.06Å; I109-R113 WeakPolarHBondContact O-CG 3.47Å; I109-R113 PolarHBondContact O-N 3.36Å |
| 110 | E | 93.6 | Very high | 92.9 | Very high | 141 Ų | 141 | 108.5 Ų | 108.5 | 66% | 0.659 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.2 | -37.9 | 176.9 | -167.7 | 147.3 | -143.5 | 0 | 0 | 111.7 | A106 Y108 R113 F114 | A106-E110 WeakPolarHBondContact O-CB 3.4Å; A106-E110 PolarHBondContact O-N 3.31Å; Y108-E110 VanDerWaalsContact C-N 3.3Å; Y108-E110 PolarHBondContact O-N 2.96Å; E110-R113 PolarHBondContact O-N 2.97Å; E110-F114 WeakPolarHBondContact O-CB 3.31Å; E110-F114 PolarHBondContact O-N 3.47Å |
| 111 | K | 94.4 | Very high | 93.2 | Very high | 113 Ų | 113 | 109.8 Ų | 109.8 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 173.5 | -173.2 | 58.7 | 174.1 | -178.5 | 0 | 112.6 | S107 Y108 I109 F114 L115 | S107-K111 WeakPolarHBondContact O-CB 3.5Å; S107-K111 PolarHBondContact O-N 2.86Å; Y108-K111 WeakPolarHBondContact O-CB 3.39Å; Y108-K111 PolarHBondContact O-N 3.4Å; I109-K111 VanDerWaalsContact C-N 3.33Å; I109-K111 PolarHBondContact O-N 3.38Å; K111-F114 PolarHBondContact O-N 3.32Å; K111-L115 HydrophobicContact CD-CD1 4.45Å; K111-L115 HydrophobicContact CG-CD1 4.14Å; K111-L115 WeakPolarHBondContact O-CB 3.37Å; K111-L115 VanDerWaalsContact O-CG 3.28Å; K111-L115 WeakPolarHBondContact O-CG 3.26Å; K111-L115 PolarHBondContact O-N 2.88Å |
| 112 | V | 95.3 | Very high | 93.3 | Very high | 48 Ų | 48 | 109.5 Ų | 109.5 | 29% | 0.291 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.3 | -46.6 | 176 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | Y108 I109 F114 L115 E116 | Y108-V112 HydrophobicContact CD1-CG2 3.99Å; Y108-V112 HydrophobicContact CE1-CG2 3.7Å; Y108-V112 WeakPolarHBondContact O-CG2 3.29Å; Y108-V112 PolarHBondContact O-N 2.99Å; I109-V112 PolarHBondContact O-N 3.06Å; V112-F114 VanDerWaalsContact C-N 3.31Å; V112-F114 PolarHBondContact O-N 2.8Å; V112-L115 PolarHBondContact O-N 3.48Å; V112-L115 VanDerWaalsContact O-N 3.12Å; V112-E116 HydrophobicContact CG1-CG 4.22Å; V112-E116 WeakPolarHBondContact O-CB 3.38Å; V112-E116 WeakPolarHBondContact O-CG 3.46Å; V112-E116 PolarHBondContact O-N 3.2Å |
| 113 | R | 93.2 | Very high | 93.3 | Very high | 172 Ų | 172 | 110.9 Ų | 110.9 | 65% | 0.649 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.9 | -42.1 | 175.5 | -74.9 | 179.6 | 179.2 | -179.6 | 0.8 | 112.4 | I109 E110 E116 Q117 | I109-R113 WeakPolarHBondContact O-CG 3.47Å; I109-R113 PolarHBondContact O-N 3.36Å; E110-R113 PolarHBondContact O-N 2.97Å; R113-E116 PolarHBondContact O-N 2.89Å; R113-Q117 WeakPolarHBondContact O-CB 3.29Å; R113-Q117 PolarHBondContact O-N 3.34Å |
| 114 | F | 95.9 | Very high | 93.2 | Very high | 112 Ų | 112 | 109.1 Ų | 109.1 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 175.1 | 179.1 | -92.1 | 0 | 0 | 0 | 111.7 | E110 K111 V112 Q117 Q118 | E110-F114 WeakPolarHBondContact O-CB 3.31Å; E110-F114 PolarHBondContact O-N 3.47Å; K111-F114 PolarHBondContact O-N 3.32Å; V112-F114 VanDerWaalsContact C-N 3.31Å; V112-F114 PolarHBondContact O-N 2.8Å; F114-Q117 PolarHBondContact O-N 2.87Å; F114-Q118 WeakPolarHBondContact O-CB 3.38Å; F114-Q118 PolarHBondContact O-N 3.29Å |
| 115 | L | 94.5 | Very high | 93 | Very high | 72 Ų | 72 | 104.8 Ų | 104.8 | 38% | 0.377 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.6 | -37.9 | 178.2 | -71.6 | 167.6 | 0 | 0 | 0 | 112.4 | K111 V112 Q118 N119 | K111-L115 HydrophobicContact CD-CD1 4.45Å; K111-L115 HydrophobicContact CG-CD1 4.14Å; K111-L115 WeakPolarHBondContact O-CB 3.37Å; K111-L115 VanDerWaalsContact O-CG 3.28Å; K111-L115 WeakPolarHBondContact O-CG 3.26Å; K111-L115 PolarHBondContact O-N 2.88Å; V112-L115 PolarHBondContact O-N 3.48Å; V112-L115 VanDerWaalsContact O-N 3.12Å; L115-Q118 PolarHBondContact O-N 3.08Å; L115-N119 WeakPolarHBondContact O-CB 3.21Å; L115-N119 PolarHBondContact O-N 2.97Å |
| 116 | E | 93.6 | Very high | 92.5 | Very high | 121 Ų | 121 | 104.5 Ų | 104.5 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.3 | -43.9 | 173.3 | -75 | 175.1 | 165.9 | 0 | 0 | 111.2 | V112 R113 N119 K120 | V112-E116 HydrophobicContact CG1-CG 4.22Å; V112-E116 WeakPolarHBondContact O-CB 3.38Å; V112-E116 WeakPolarHBondContact O-CG 3.46Å; V112-E116 PolarHBondContact O-N 3.2Å; R113-E116 PolarHBondContact O-N 2.89Å; E116-N119 PolarHBondContact O-N 3.42Å; E116-K120 WeakPolarHBondContact O-CB 3.46Å; E116-K120 PolarHBondContact O-N 2.85Å |
| 117 | Q | 95.3 | Very high | 92.1 | Very high | 130 Ų | 130 | 107.9 Ų | 107.9 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.7 | -42.6 | 175.6 | -174.1 | 172 | 7.1 | 0 | 0 | 111.2 | R113 F114 K120 I121 | R113-Q117 WeakPolarHBondContact O-CB 3.29Å; R113-Q117 PolarHBondContact O-N 3.34Å; F114-Q117 PolarHBondContact O-N 2.87Å; Q117-K120 PolarHBondContact O-N 3.38Å; Q117-I121 HydrophobicContact CG-CD1 4.31Å; Q117-I121 WeakPolarHBondContact O-CG1 3.35Å; Q117-I121 PolarHBondContact O-N 2.78Å |
| 118 | Q | 95.6 | Very high | 91.5 | Very high | 87 Ų | 87 | 110 Ų | 110 | 41% | 0.407 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 176.1 | -169.4 | 176.7 | 23.4 | 0 | 0 | 111.7 | F114 L115 K120 I121 L122 | F114-Q118 WeakPolarHBondContact O-CB 3.38Å; F114-Q118 PolarHBondContact O-N 3.29Å; L115-Q118 PolarHBondContact O-N 3.08Å; Q118-K120 VanDerWaalsContact C-N 3.3Å; Q118-K120 PolarHBondContact O-N 3.3Å; Q118-I121 PolarHBondContact O-N 2.97Å; Q118-L122 HydrophobicContact CG-CD1 4.25Å; Q118-L122 WeakPolarHBondContact O-CG 3.12Å; Q118-L122 PolarHBondContact O-N 3.44Å |
| 119 | N | 93.2 | Very high | 90.6 | Very high | 94 Ų | 94 | 107.7 Ų | 107.7 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 174.9 | -82.4 | -23.5 | 0 | 0 | 0 | 111.7 | L115 E116 I121 L122 L123 | L115-N119 WeakPolarHBondContact O-CB 3.21Å; L115-N119 PolarHBondContact O-N 2.97Å; E116-N119 PolarHBondContact O-N 3.42Å; N119-I121 VanDerWaalsContact C-N 3.33Å; N119-I121 PolarHBondContact O-N 3.17Å; N119-L122 PolarHBondContact O-N 2.93Å; N119-L123 WeakPolarHBondContact O-CB 3.35Å; N119-L123 VanDerWaalsContact O-CG 3.26Å; N119-L123 WeakPolarHBondContact O-CG 3.08Å; N119-L123 PolarHBondContact O-N 3.27Å |
| 120 | K | 95.5 | Very high | 89.5 | Confident | 162 Ų | 162 | 112.8 Ų | 112.8 | 70% | 0.704 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.6 | -39.5 | 176.1 | -168.4 | 176.3 | -176.5 | 178 | 0 | 112 | E116 Q117 Q118 A124 | E116-K120 WeakPolarHBondContact O-CB 3.46Å; E116-K120 PolarHBondContact O-N 2.85Å; Q117-K120 PolarHBondContact O-N 3.38Å; Q118-K120 VanDerWaalsContact C-N 3.3Å; Q118-K120 PolarHBondContact O-N 3.3Å; K120-A124 PolarHBondContact O-N 2.96Å; K120-A124 VanDerWaalsContact O-N 3.13Å |
| 121 | I | 94.6 | Very high | 88.1 | Confident | 101 Ų | 101 | 109.4 Ų | 109.4 | 52% | 0.518 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.5 | -47.3 | 175.1 | -66.9 | 164.9 | 0 | 0 | 0 | 110.4 | Q117 Q118 N119 L123 A124 E125 | Q117-I121 HydrophobicContact CG-CD1 4.31Å; Q117-I121 WeakPolarHBondContact O-CG1 3.35Å; Q117-I121 PolarHBondContact O-N 2.78Å; Q118-I121 PolarHBondContact O-N 2.97Å; N119-I121 VanDerWaalsContact C-N 3.33Å; N119-I121 PolarHBondContact O-N 3.17Å; I121-L123 VanDerWaalsContact C-N 3.32Å; I121-L123 PolarHBondContact O-N 3.35Å; I121-A124 PolarHBondContact O-N 3.45Å; I121-A124 VanDerWaalsContact O-N 3.16Å; I121-E125 PolarHBondContact O-N 2.85Å |
| 122 | L | 91.9 | Very high | 86.5 | Confident | 81 Ų | 81 | 111.1 Ų | 111.1 | 42% | 0.424 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 178.8 | -72 | 171 | 0 | 0 | 0 | 112.4 | Q118 N119 E125 L126 | Q118-L122 HydrophobicContact CG-CD1 4.25Å; Q118-L122 WeakPolarHBondContact O-CG 3.12Å; Q118-L122 PolarHBondContact O-N 3.44Å; N119-L122 PolarHBondContact O-N 2.93Å; L122-E125 PolarHBondContact O-N 3.23Å; L122-L126 WeakPolarHBondContact O-CB 3.26Å; L122-L126 PolarHBondContact O-N 3.26Å |
| 123 | L | 89.6 | Confident | 84.8 | Confident | 119 Ų | 119 | 110.7 Ų | 110.7 | 62% | 0.623 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65 | -41.7 | 174.5 | -75.6 | 171.9 | 0 | 0 | 0 | 111.9 | N119 I121 E125 L126 E127 | N119-L123 WeakPolarHBondContact O-CB 3.35Å; N119-L123 VanDerWaalsContact O-CG 3.26Å; N119-L123 WeakPolarHBondContact O-CG 3.08Å; N119-L123 PolarHBondContact O-N 3.27Å; I121-L123 VanDerWaalsContact C-N 3.32Å; I121-L123 PolarHBondContact O-N 3.35Å; L123-E125 VanDerWaalsContact C-N 3.35Å; L123-L126 PolarHBondContact O-N 3.01Å; L123-E127 WeakPolarHBondContact O-CB 3.45Å; L123-E127 PolarHBondContact O-N 2.9Å |
| 124 | A | 87.4 | Confident | 83.1 | Confident | 63 Ų | 63 | 108.9 Ų | 108.9 | 52% | 0.521 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66 | -38.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | K120 I121 E127 Q128 | K120-A124 PolarHBondContact O-N 2.96Å; K120-A124 VanDerWaalsContact O-N 3.13Å; I121-A124 PolarHBondContact O-N 3.45Å; I121-A124 VanDerWaalsContact O-N 3.16Å; A124-E127 PolarHBondContact O-N 3.04Å; A124-Q128 WeakPolarHBondContact O-CB 3.5Å; A124-Q128 PolarHBondContact O-N 3.32Å |
| 125 | E | 87.1 | Confident | 81.6 | Confident | 100 Ų | 100 | 107.1 Ų | 107.1 | 47% | 0.467 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.5 | -41.3 | 174.9 | -172.1 | 173.4 | -172 | 0 | 0 | 111.7 | I121 L122 L123 Q128 L129 | I121-E125 PolarHBondContact O-N 2.85Å; L122-E125 PolarHBondContact O-N 3.23Å; L123-E125 VanDerWaalsContact C-N 3.35Å; E125-Q128 PolarHBondContact O-N 3.5Å; E125-L129 HydrophobicContact CG-CD1 4.18Å; E125-L129 WeakPolarHBondContact O-CB 3.43Å; E125-L129 WeakPolarHBondContact O-CG 3.37Å; E125-L129 PolarHBondContact O-N 2.83Å |
| 126 | L | 81.5 | Confident | 80.6 | Confident | 110 Ų | 110 | 113.5 Ų | 113.5 | 58% | 0.576 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.9 | -46.4 | 173.7 | -107.6 | 167.1 | 0 | 0 | 0 | 112.1 | L122 L123 Q128 L129 R130 | L122-L126 WeakPolarHBondContact O-CB 3.26Å; L122-L126 PolarHBondContact O-N 3.26Å; L123-L126 PolarHBondContact O-N 3.01Å; L126-Q128 VanDerWaalsContact C-N 3.31Å; L126-Q128 PolarHBondContact O-N 2.92Å; L126-L129 PolarHBondContact O-N 3.47Å; L126-R130 WeakPolarHBondContact O-CB 3.37Å; L126-R130 PolarHBondContact O-N 3.13Å |
| 127 | E | 82.2 | Confident | 79.9 | Confident | 125 Ų | 125 | 112 Ų | 112 | 58% | 0.584 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.5 | -40 | 178.1 | -166.5 | 60.6 | -148.5 | 0 | 0 | 111.1 | L123 A124 R130 G131 | L123-E127 WeakPolarHBondContact O-CB 3.45Å; L123-E127 PolarHBondContact O-N 2.9Å; A124-E127 PolarHBondContact O-N 3.04Å; E127-R130 PolarHBondContact O-N 2.86Å; E127-G131 PolarHBondContact O-N 3.47Å |
| 128 | Q | 80.6 | Confident | 79.4 | Confident | 111 Ų | 111 | 107.2 Ų | 107.2 | 52% | 0.519 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.9 | -39.7 | 176.6 | -169.4 | -177.7 | 19.2 | 0 | 0 | 112.8 | A124 E125 L126 K132 | A124-Q128 WeakPolarHBondContact O-CB 3.5Å; A124-Q128 PolarHBondContact O-N 3.32Å; E125-Q128 PolarHBondContact O-N 3.5Å; L126-Q128 VanDerWaalsContact C-N 3.31Å; L126-Q128 PolarHBondContact O-N 2.92Å; Q128-K132 HydrophobicContact CG-CD 4.27Å; Q128-K132 VanDerWaalsContact NE2-NZ 3.12Å; Q128-K132 WeakPolarHBondContact O-CB 3.13Å; Q128-K132 VanDerWaalsContact O-CG 3.29Å; Q128-K132 WeakPolarHBondContact O-CG 3.37Å; Q128-K132 PolarHBondContact O-N 3.44Å |
| 129 | L | 74.6 | Confident | 78.9 | Confident | 110 Ų | 110 | 106.3 Ų | 106.3 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -71.5 | -38 | 177 | -73.5 | 170.5 | 0 | 0 | 0 | 111.5 | E125 L126 K132 G133 | E125-L129 HydrophobicContact CG-CD1 4.18Å; E125-L129 WeakPolarHBondContact O-CB 3.43Å; E125-L129 WeakPolarHBondContact O-CG 3.37Å; E125-L129 PolarHBondContact O-N 2.83Å; L126-L129 PolarHBondContact O-N 3.47Å; L129-K132 PolarHBondContact O-N 3.44Å; L129-G133 PolarHBondContact O-N 3.39Å |
| 130 | R | 70.6 | Confident | 78.6 | Confident | 197 Ų | 197 | 106.4 Ų | 106.4 | 74% | 0.743 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.9 | -33.1 | 177.7 | -164.4 | 179.1 | 166.9 | -160.1 | -5 | 112.4 | L126 E127 K132 | L126-R130 WeakPolarHBondContact O-CB 3.37Å; L126-R130 PolarHBondContact O-N 3.13Å; E127-R130 PolarHBondContact O-N 2.86Å; R130-K132 VanDerWaalsContact C-N 3.31Å |
| 131 | G | 62.6 | Low | 78.3 | Confident | 69 Ų | 69 | 105.5 Ų | 105.5 | 71% | 0.711 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -13 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115 | E127 | E127-G131 PolarHBondContact O-N 3.47Š|
| 132 | K | 61.5 | Low | 78.2 | Confident | 150 Ų | 150 | 105.8 Ų | 105.8 | 65% | 0.652 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | -12.2 | -177.2 | -73.9 | 177.8 | 177.7 | 179.7 | 0 | 114.4 | Q128 L129 R130 | Q128-K132 HydrophobicContact CG-CD 4.27Å; Q128-K132 VanDerWaalsContact NE2-NZ 3.12Å; Q128-K132 WeakPolarHBondContact O-CB 3.13Å; Q128-K132 VanDerWaalsContact O-CG 3.29Å; Q128-K132 WeakPolarHBondContact O-CG 3.37Å; Q128-K132 PolarHBondContact O-N 3.44Å; L129-K132 PolarHBondContact O-N 3.44Å; R130-K132 VanDerWaalsContact C-N 3.31Å |
| 133 | G | 59.9 | Low | 78.2 | Confident | 38 Ų | 38 | 105.7 Ų | 105.7 | 39% | 0.392 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -100.3 | 128.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L129 | L129-G133 PolarHBondContact O-N 3.39Š|
| 134 | T | 57.7 | Low | 78.5 | Confident | 135 Ų | 135 | 105.2 Ų | 105.2 | 83% | 0.828 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 101.8 | -31 | 163.2 | 79.5 | 0 | 0 | 0 | 0 | 120.2 | ||
| 135 | S | 65.1 | Low | 78.8 | Confident | 74 Ų | 74 | 106.6 Ų | 106.6 | 52% | 0.517 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.7 | -54.9 | -175.5 | -164.8 | 0 | 0 | 0 | 0 | 113.6 | V137 G138 D139 | S135-V137 VanDerWaalsContact C-N 3.31Å; S135-V137 PolarHBondContact O-N 2.87Å; S135-V137 VanDerWaalsContact O-N 3.1Å; S135-G138 CarbonylContact O-C 3.4Å; S135-G138 WeakPolarHBondContact O-CA 3.45Å; S135-G138 PolarHBondContact O-N 3.46Å; S135-D139 PolarHBondContact O-N 3.4Å; S135-D139 PolarHBondContact OG-OD1 2.85Å; S135-D139 PolarHBondContact OG-OD2 3.33Å |
| 136 | R | 73 | Confident | 79.3 | Confident | 207 Ų | 207 | 108.3 Ų | 108.3 | 78% | 0.781 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60 | -34.7 | -166.6 | -165.7 | 172.9 | 94.6 | 160.1 | 6.3 | 115 | L140 | R136-L140 VanDerWaalsContact O-CG 3.26Å; R136-L140 WeakPolarHBondContact O-CG 3.21Å; R136-L140 PolarHBondContact O-N 2.85Å |
| 137 | V | 78.6 | Confident | 80.1 | Confident | 88 Ų | 88 | 108.7 Ų | 108.7 | 53% | 0.533 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -78.9 | -37.1 | 178.5 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | S135 L140 Y141 | S135-V137 VanDerWaalsContact C-N 3.31Å; S135-V137 PolarHBondContact O-N 2.87Å; S135-V137 VanDerWaalsContact O-N 3.1Å; V137-L140 PolarHBondContact O-N 3.37Å; V137-Y141 HydrophobicContact CG1-CD2 3.77Å; V137-Y141 HydrophobicContact CG1-CE2 3.44Å; V137-Y141 VanDerWaalsContact CG1-CE2 3.44Å; V137-Y141 WeakPolarHBondContact O-CD2 3.32Å; V137-Y141 PolarHBondContact O-N 2.86Å; V137-Y141 VanDerWaalsContact O-N 3.15Å |
| 138 | G | 84.1 | Confident | 80.8 | Confident | 30 Ų | 30 | 107.6 Ų | 107.6 | 31% | 0.309 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S135 L140 Y141 E142 | S135-G138 CarbonylContact O-C 3.4Å; S135-G138 WeakPolarHBondContact O-CA 3.45Å; S135-G138 PolarHBondContact O-N 3.46Å; G138-L140 VanDerWaalsContact C-N 3.33Å; G138-L140 PolarHBondContact O-N 2.94Å; G138-Y141 PolarHBondContact O-N 3.47Å; G138-E142 WeakPolarHBondContact O-CB 3.34Å; G138-E142 WeakPolarHBondContact O-CG 3.5Å; G138-E142 PolarHBondContact O-N 3.45Å |
| 139 | D | 85.4 | Confident | 81.6 | Confident | 68 Ų | 68 | 110.7 Ų | 110.7 | 36% | 0.364 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.2 | -41.8 | 178.8 | -57.2 | -33.7 | 0 | 0 | 0 | 111.6 | S135 E142 D143 | S135-D139 PolarHBondContact O-N 3.4Å; S135-D139 PolarHBondContact OG-OD1 2.85Å; S135-D139 PolarHBondContact OG-OD2 3.33Å; D139-E142 PolarHBondContact O-N 2.81Å; D139-D143 WeakPolarHBondContact O-CB 3.4Å; D139-D143 VanDerWaalsContact O-CG 3.28Å; D139-D143 PolarHBondContact O-N 2.87Å |
| 140 | L | 87.1 | Confident | 82.7 | Confident | 97 Ų | 97 | 108.4 Ų | 108.4 | 51% | 0.508 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 176.2 | -71.1 | 170.2 | 0 | 0 | 0 | 112.4 | R136 V137 G138 E142 D143 E144 | R136-L140 VanDerWaalsContact O-CG 3.26Å; R136-L140 WeakPolarHBondContact O-CG 3.21Å; R136-L140 PolarHBondContact O-N 2.85Å; V137-L140 PolarHBondContact O-N 3.37Å; G138-L140 VanDerWaalsContact C-N 3.33Å; G138-L140 PolarHBondContact O-N 2.94Å; L140-E142 VanDerWaalsContact C-N 3.34Å; L140-D143 PolarHBondContact O-N 3.23Å; L140-E144 WeakPolarHBondContact O-CG 3.26Å; L140-E144 PolarHBondContact O-N 2.87Å |
| 141 | Y | 89.2 | Confident | 84 | Confident | 142 Ų | 142 | 103 Ų | 103 | 56% | 0.557 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68 | -34.8 | 175.7 | -75.6 | -58.6 | 0 | 0 | 0 | 112.2 | V137 G138 M145 | V137-Y141 HydrophobicContact CG1-CD2 3.77Å; V137-Y141 HydrophobicContact CG1-CE2 3.44Å; V137-Y141 VanDerWaalsContact CG1-CE2 3.44Å; V137-Y141 WeakPolarHBondContact O-CD2 3.32Å; V137-Y141 PolarHBondContact O-N 2.86Å; V137-Y141 VanDerWaalsContact O-N 3.15Å; G138-Y141 PolarHBondContact O-N 3.47Å; Y141-M145 VanDerWaalsContact O-CB 3.32Å; Y141-M145 WeakPolarHBondContact O-CB 3.35Å; Y141-M145 VanDerWaalsContact O-CG 3.23Å; Y141-M145 WeakPolarHBondContact O-CG 3.24Å; Y141-M145 PolarHBondContact O-N 3.46Å |
| 142 | E | 92.2 | Very high | 85.7 | Confident | 108 Ų | 108 | 103.7 Ų | 103.7 | 51% | 0.505 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 173.9 | -77 | -174.9 | -171.9 | 0 | 0 | 112.2 | G138 D139 L140 M145 R146 | G138-E142 WeakPolarHBondContact O-CB 3.34Å; G138-E142 WeakPolarHBondContact O-CG 3.5Å; G138-E142 PolarHBondContact O-N 3.45Å; D139-E142 PolarHBondContact O-N 2.81Å; L140-E142 VanDerWaalsContact C-N 3.34Å; E142-M145 HydrophobicContact CB-CE 4.5Å; E142-M145 HydrophobicContact CG-CE 4Å; E142-M145 PolarHBondContact O-N 3.46Å; E142-R146 WeakPolarHBondContact O-CB 3.2Å; E142-R146 PolarHBondContact O-N 2.95Å |
| 143 | D | 93.3 | Very high | 87.4 | Confident | 79 Ų | 79 | 101.1 Ų | 101.1 | 42% | 0.422 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.6 | -45.8 | 174.5 | -73.8 | -17.8 | 0 | 0 | 0 | 111.5 | D139 L140 M145 R146 E147 | D139-D143 WeakPolarHBondContact O-CB 3.4Å; D139-D143 VanDerWaalsContact O-CG 3.28Å; D139-D143 PolarHBondContact O-N 2.87Å; L140-D143 PolarHBondContact O-N 3.23Å; D143-M145 PolarHBondContact O-N 2.95Å; D143-R146 WeakPolarHBondContact O-CB 3.36Å; D143-R146 PolarHBondContact O-N 3.39Å; D143-R146 IonicContact OD1-CZ 3.83Å; D143-R146 IonicContact OD1-NH1 3.03Å; D143-R146 PolarHBondContact OD1-NH1 2.99Å; D143-R146 IonicContact OD1-NH2 2.72Å; D143-R146 PolarHBondContact OD1-NH2 3.11Å; D143-E147 PolarHBondContact O-N 2.92Å |
| 144 | E | 95 | Very high | 89.2 | Confident | 108 Ų | 108 | 104.9 Ų | 104.9 | 51% | 0.505 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 173.9 | -76.2 | -179.6 | 179.1 | 0 | 0 | 111.8 | L140 R146 E147 L148 | L140-E144 WeakPolarHBondContact O-CG 3.26Å; L140-E144 PolarHBondContact O-N 2.87Å; E144-R146 VanDerWaalsContact C-N 3.31Å; E144-R146 PolarHBondContact O-N 2.79Å; E144-E147 PolarHBondContact O-N 2.81Å; E144-L148 WeakPolarHBondContact O-CB 3.46Å; E144-L148 VanDerWaalsContact O-CG 3.31Å; E144-L148 WeakPolarHBondContact O-CG 3.42Å; E144-L148 PolarHBondContact O-N 2.92Å |
| 145 | M | 94.3 | Very high | 91.1 | Very high | 93 Ų | 93 | 103.7 Ų | 103.7 | 46% | 0.458 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -37.8 | 175.5 | -78.9 | -170.7 | -67.5 | 0 | 0 | 112 | Y141 E142 D143 R149 | Y141-M145 VanDerWaalsContact O-CB 3.32Å; Y141-M145 WeakPolarHBondContact O-CB 3.35Å; Y141-M145 VanDerWaalsContact O-CG 3.23Å; Y141-M145 WeakPolarHBondContact O-CG 3.24Å; Y141-M145 PolarHBondContact O-N 3.46Å; E142-M145 HydrophobicContact CB-CE 4.5Å; E142-M145 HydrophobicContact CG-CE 4Å; E142-M145 PolarHBondContact O-N 3.46Å; D143-M145 PolarHBondContact O-N 2.95Å; M145-R149 WeakPolarHBondContact O-CB 3.31Å; M145-R149 WeakPolarHBondContact O-CG 3.26Å; M145-R149 PolarHBondContact O-N 3.32Å |
| 146 | R | 97 | Very high | 92.7 | Very high | 136 Ų | 136 | 104 Ų | 104 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.2 | -43.7 | 176.8 | -165.1 | -176.2 | -53.5 | 116.9 | 8.8 | 110.8 | E142 D143 E144 R149 C150 | E142-R146 WeakPolarHBondContact O-CB 3.2Å; E142-R146 PolarHBondContact O-N 2.95Å; D143-R146 WeakPolarHBondContact O-CB 3.36Å; D143-R146 PolarHBondContact O-N 3.39Å; D143-R146 IonicContact OD1-CZ 3.83Å; D143-R146 IonicContact OD1-NH1 3.03Å; D143-R146 PolarHBondContact OD1-NH1 2.99Å; D143-R146 IonicContact OD1-NH2 2.72Å; D143-R146 PolarHBondContact OD1-NH2 3.11Å; E144-R146 VanDerWaalsContact C-N 3.31Å; E144-R146 PolarHBondContact O-N 2.79Å; R146-R149 PolarHBondContact O-N 3.21Å; R146-C150 PolarHBondContact O-N 3.01Å; R146-C150 PolarHBondContact O-SG 3.5Å; R146-C150 VanDerWaalsContact O-SG 3.41Å |
| 147 | E | 97.3 | Very high | 93.9 | Very high | 118 Ų | 118 | 99.6 Ų | 99.6 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.3 | -46.9 | 176.9 | -172.1 | 176.3 | 176.3 | 0 | 0 | 111.5 | D143 E144 R149 C150 Q151 | D143-E147 PolarHBondContact O-N 2.92Å; E144-E147 PolarHBondContact O-N 2.81Å; E147-R149 VanDerWaalsContact C-N 3.31Å; E147-R149 PolarHBondContact O-N 3.41Å; E147-C150 WeakPolarHBondContact O-CB 3.25Å; E147-C150 PolarHBondContact O-N 3.38Å; E147-C150 VanDerWaalsContact O-N 3.16Å; E147-Q151 WeakPolarHBondContact O-CG 3.49Å; E147-Q151 PolarHBondContact O-N 3Å; E147-Q151 PolarHBondContact OE1-NE2 2.92Å |
| 148 | L | 97.3 | Very high | 94.8 | Very high | 102 Ų | 102 | 101 Ų | 101 | 53% | 0.534 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 176.6 | -72.9 | 172.4 | 0 | 0 | 0 | 112.1 | E144 Q151 V152 | E144-L148 WeakPolarHBondContact O-CB 3.46Å; E144-L148 VanDerWaalsContact O-CG 3.31Å; E144-L148 WeakPolarHBondContact O-CG 3.42Å; E144-L148 PolarHBondContact O-N 2.92Å; L148-Q151 PolarHBondContact O-N 3.44Å; L148-V152 WeakPolarHBondContact O-CG2 3.33Å; L148-V152 PolarHBondContact O-N 3.32Å |
| 149 | R | 97.8 | Very high | 95.5 | Very high | 176 Ų | 176 | 105.7 Ų | 105.7 | 66% | 0.664 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.9 | -46.3 | 173.9 | -73.7 | 170.8 | -173.7 | -162.8 | 3.7 | 111.6 | M145 R146 E147 Q151 V152 D153 | M145-R149 WeakPolarHBondContact O-CB 3.31Å; M145-R149 WeakPolarHBondContact O-CG 3.26Å; M145-R149 PolarHBondContact O-N 3.32Å; R146-R149 PolarHBondContact O-N 3.21Å; E147-R149 VanDerWaalsContact C-N 3.31Å; E147-R149 PolarHBondContact O-N 3.41Å; R149-Q151 VanDerWaalsContact C-N 3.29Å; R149-Q151 PolarHBondContact O-N 3.26Å; R149-V152 PolarHBondContact O-N 3.48Å; R149-D153 PolarHBondContact O-N 3.03Å |
| 150 | C | 97.8 | Very high | 96 | Very high | 61 Ų | 61 | 104.6 Ų | 104.6 | 41% | 0.412 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.9 | -39 | 175.4 | -72.3 | 0 | 0 | 0 | 0 | 112.3 | R146 E147 D153 Q154 | R146-C150 PolarHBondContact O-N 3.01Å; R146-C150 PolarHBondContact O-SG 3.5Å; R146-C150 VanDerWaalsContact O-SG 3.41Å; E147-C150 WeakPolarHBondContact O-CB 3.25Å; E147-C150 PolarHBondContact O-N 3.38Å; E147-C150 VanDerWaalsContact O-N 3.16Å; C150-D153 PolarHBondContact O-N 2.89Å; C150-Q154 WeakPolarHBondContact O-CB 3.34Å; C150-Q154 VanDerWaalsContact O-CG 3.22Å; C150-Q154 WeakPolarHBondContact O-CG 3.3Å; C150-Q154 PolarHBondContact O-N 3.5Å |
| 151 | Q | 97.9 | Very high | 96.5 | Very high | 83 Ų | 83 | 109.6 Ų | 109.6 | 39% | 0.388 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 175.3 | -70.9 | 177.8 | 17 | 0 | 0 | 111.9 | E147 L148 R149 Q154 L155 | E147-Q151 WeakPolarHBondContact O-CG 3.49Å; E147-Q151 PolarHBondContact O-N 3Å; E147-Q151 PolarHBondContact OE1-NE2 2.92Å; L148-Q151 PolarHBondContact O-N 3.44Å; R149-Q151 VanDerWaalsContact C-N 3.29Å; R149-Q151 PolarHBondContact O-N 3.26Å; Q151-Q154 PolarHBondContact O-N 3.25Å; Q151-L155 WeakPolarHBondContact O-CB 3.28Å; Q151-L155 WeakPolarHBondContact O-CG 3.37Å; Q151-L155 PolarHBondContact O-N 3.49Å |
| 152 | V | 98 | Very high | 96.8 | Very high | 84 Ų | 84 | 107.6 Ų | 107.6 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 175.1 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | L148 R149 L155 T156 | L148-V152 WeakPolarHBondContact O-CG2 3.33Å; L148-V152 PolarHBondContact O-N 3.32Å; R149-V152 PolarHBondContact O-N 3.48Å; V152-L155 PolarHBondContact O-N 3.37Å; V152-T156 VanDerWaalsContact O-CB 3.31Å; V152-T156 WeakPolarHBondContact O-CB 3.44Å; V152-T156 PolarHBondContact O-N 3.35Å; V152-T156 PolarHBondContact O-OG1 3.1Å |
| 153 | D | 97.9 | Very high | 97.1 | Very high | 97 Ų | 97 | 106 Ų | 106 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 178.1 | -67.5 | -23.7 | 0 | 0 | 0 | 111.4 | R149 C150 T156 N157 | R149-D153 PolarHBondContact O-N 3.03Å; C150-D153 PolarHBondContact O-N 2.89Å; D153-T156 PolarHBondContact O-N 3.32Å; D153-N157 WeakPolarHBondContact O-CB 3.47Å; D153-N157 VanDerWaalsContact O-CG 3.27Å; D153-N157 PolarHBondContact O-N 3.42Å; D153-N157 PolarHBondContact O-ND2 2.87Å; D153-N157 VanDerWaalsContact O-ND2 3.08Å |
| 154 | Q | 98.1 | Very high | 97.3 | Very high | 117 Ų | 117 | 106.3 Ų | 106.3 | 55% | 0.547 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61 | -51 | 175 | -74.8 | 170.8 | 26 | 0 | 0 | 111.6 | C150 Q151 T156 N157 E158 | C150-Q154 WeakPolarHBondContact O-CB 3.34Å; C150-Q154 VanDerWaalsContact O-CG 3.22Å; C150-Q154 WeakPolarHBondContact O-CG 3.3Å; C150-Q154 PolarHBondContact O-N 3.5Å; Q151-Q154 PolarHBondContact O-N 3.25Å; Q154-T156 VanDerWaalsContact C-N 3.27Å; Q154-T156 PolarHBondContact O-N 2.97Å; Q154-N157 PolarHBondContact O-N 2.84Å; Q154-E158 WeakPolarHBondContact O-CG 3.31Å; Q154-E158 PolarHBondContact O-N 3.44Å |
| 155 | L | 97.7 | Very high | 97.2 | Very high | 110 Ų | 110 | 106.6 Ų | 106.6 | 58% | 0.576 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.3 | -35.4 | 178.2 | -71.8 | 173.8 | 0 | 0 | 0 | 112.2 | Q151 V152 E158 K159 | Q151-L155 WeakPolarHBondContact O-CB 3.28Å; Q151-L155 WeakPolarHBondContact O-CG 3.37Å; Q151-L155 PolarHBondContact O-N 3.49Å; V152-L155 PolarHBondContact O-N 3.37Å; L155-E158 PolarHBondContact O-N 3.23Å; L155-K159 WeakPolarHBondContact O-CB 3.47Å; L155-K159 PolarHBondContact O-N 3.48Å |
| 156 | T | 98.1 | Very high | 97.2 | Very high | 79 Ų | 79 | 109.1 Ų | 109.1 | 49% | 0.485 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 176.4 | -57.6 | 0 | 0 | 0 | 0 | 111.1 | V152 D153 Q154 K159 A160 | V152-T156 VanDerWaalsContact O-CB 3.31Å; V152-T156 WeakPolarHBondContact O-CB 3.44Å; V152-T156 PolarHBondContact O-N 3.35Å; V152-T156 PolarHBondContact O-OG1 3.1Å; D153-T156 PolarHBondContact O-N 3.32Å; Q154-T156 VanDerWaalsContact C-N 3.27Å; Q154-T156 PolarHBondContact O-N 2.97Å; T156-K159 PolarHBondContact O-N 3.18Å; T156-A160 WeakPolarHBondContact O-CB 3.18Å; T156-A160 PolarHBondContact O-N 2.85Å |
| 157 | N | 98.2 | Very high | 97.2 | Very high | 115 Ų | 115 | 106 Ų | 106 | 62% | 0.615 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.4 | -41.7 | 175.8 | -71.9 | -35.6 | 0 | 0 | 0 | 112.2 | D153 Q154 A160 R161 | D153-N157 WeakPolarHBondContact O-CB 3.47Å; D153-N157 VanDerWaalsContact O-CG 3.27Å; D153-N157 PolarHBondContact O-N 3.42Å; D153-N157 PolarHBondContact O-ND2 2.87Å; D153-N157 VanDerWaalsContact O-ND2 3.08Å; Q154-N157 PolarHBondContact O-N 2.84Å; N157-A160 PolarHBondContact O-N 3.04Å; N157-R161 WeakPolarHBondContact O-CB 3.32Å; N157-R161 PolarHBondContact O-N 3.13Å |
| 158 | E | 97.8 | Very high | 97 | Very high | 119 Ų | 119 | 104.4 Ų | 104.4 | 56% | 0.556 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.3 | -44.3 | 175.3 | -73.9 | -178.9 | 176.1 | 0 | 0 | 111.5 | Q154 L155 R161 V162 | Q154-E158 WeakPolarHBondContact O-CG 3.31Å; Q154-E158 PolarHBondContact O-N 3.44Å; L155-E158 PolarHBondContact O-N 3.23Å; E158-R161 PolarHBondContact O-N 2.93Å; E158-V162 WeakPolarHBondContact O-CG2 3.34Å; E158-V162 PolarHBondContact O-N 3.43Å |
| 159 | K | 97.7 | Very high | 96.7 | Very high | 128 Ų | 128 | 103.4 Ų | 103.4 | 56% | 0.557 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57.3 | -51.2 | 174.1 | 178.2 | -178.8 | 169.4 | -175.8 | 0 | 111.1 | L155 T156 R161 V162 E163 | L155-K159 WeakPolarHBondContact O-CB 3.47Å; L155-K159 PolarHBondContact O-N 3.48Å; T156-K159 PolarHBondContact O-N 3.18Å; K159-R161 VanDerWaalsContact C-N 3.28Å; K159-R161 PolarHBondContact O-N 3.39Å; K159-V162 PolarHBondContact O-N 2.89Å; K159-V162 VanDerWaalsContact O-N 3.15Å; K159-E163 WeakPolarHBondContact CE-OE1 3.42Å; K159-E163 HydrophobicContact CG-CG 4.42Å; K159-E163 IonicContact NZ-OE1 2.68Å; K159-E163 WeakPolarHBondContact O-CG 3.36Å; K159-E163 PolarHBondContact O-N 3.49Å |
| 160 | A | 97.1 | Very high | 96.3 | Very high | 44 Ų | 44 | 97.6 Ų | 97.6 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.8 | -40.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T156 N157 E163 V164 | T156-A160 WeakPolarHBondContact O-CB 3.18Å; T156-A160 PolarHBondContact O-N 2.85Å; N157-A160 PolarHBondContact O-N 3.04Å; A160-E163 PolarHBondContact O-N 2.87Å; A160-V164 WeakPolarHBondContact O-CG2 3.28Å; A160-V164 PolarHBondContact O-N 2.83Å |
| 161 | R | 97.6 | Very high | 96.1 | Very high | 203 Ų | 203 | 98.8 Ų | 98.8 | 77% | 0.766 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.1 | -42.2 | 176.3 | -174.8 | 179.5 | 177.6 | -179.8 | -0.2 | 112.3 | N157 E158 K159 H165 | N157-R161 WeakPolarHBondContact O-CB 3.32Å; N157-R161 PolarHBondContact O-N 3.13Å; E158-R161 PolarHBondContact O-N 2.93Å; K159-R161 VanDerWaalsContact C-N 3.28Å; K159-R161 PolarHBondContact O-N 3.39Å; R161-H165 PolarHBondContact O-N 3.41Å; R161-H165 VanDerWaalsContact O-N 3.08Å |
| 162 | V | 95.7 | Very high | 95.8 | Very high | 99 Ų | 99 | 98.3 Ų | 98.3 | 60% | 0.6 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.3 | -38.8 | 177.2 | 172.2 | 0 | 0 | 0 | 0 | 111 | E158 K159 H165 R166 | E158-V162 WeakPolarHBondContact O-CG2 3.34Å; E158-V162 PolarHBondContact O-N 3.43Å; K159-V162 PolarHBondContact O-N 2.89Å; K159-V162 VanDerWaalsContact O-N 3.15Å; V162-H165 PolarHBondContact O-N 3.4Å; V162-R166 WeakPolarHBondContact O-CB 3.25Å; V162-R166 PolarHBondContact O-N 3.3Å |
| 163 | E | 97.1 | Very high | 95.5 | Very high | 75 Ų | 75 | 98.2 Ų | 98.2 | 35% | 0.35 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 175.1 | -75 | 174.4 | 165.4 | 0 | 0 | 111.4 | K159 A160 H165 R166 D167 | K159-E163 WeakPolarHBondContact CE-OE1 3.42Å; K159-E163 HydrophobicContact CG-CG 4.42Å; K159-E163 IonicContact NZ-OE1 2.68Å; K159-E163 WeakPolarHBondContact O-CG 3.36Å; K159-E163 PolarHBondContact O-N 3.49Å; A160-E163 PolarHBondContact O-N 2.87Å; E163-H165 VanDerWaalsContact C-N 3.31Å; E163-H165 PolarHBondContact O-N 2.86Å; E163-R166 WeakPolarHBondContact O-CB 3.42Å; E163-R166 PolarHBondContact O-N 3.26Å; E163-D167 VanDerWaalsContact O-CG 3.23Å; E163-D167 PolarHBondContact O-N 2.88Å |
| 164 | V | 97.6 | Very high | 95.1 | Very high | 85 Ų | 85 | 94.8 Ų | 94.8 | 52% | 0.515 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.6 | -41 | 174.5 | 172 | 0 | 0 | 0 | 0 | 111.5 | A160 D167 N168 | A160-V164 WeakPolarHBondContact O-CG2 3.28Å; A160-V164 PolarHBondContact O-N 2.83Å; V164-D167 PolarHBondContact O-N 3.31Å; V164-N168 WeakPolarHBondContact O-CB 3.48Å; V164-N168 PolarHBondContact O-N 2.83Å; V164-N168 PolarHBondContact O-ND2 3.48Å; V164-N168 VanDerWaalsContact O-ND2 3.14Å |
| 165 | H | 94.4 | Very high | 94.8 | Very high | 114 Ų | 114 | 95.6 Ų | 95.6 | 53% | 0.528 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 177.3 | -171.9 | 47.5 | 0 | 0 | 0 | 112.3 | R161 V162 E163 D167 N168 L169 | R161-H165 PolarHBondContact O-N 3.41Å; R161-H165 VanDerWaalsContact O-N 3.08Å; V162-H165 PolarHBondContact O-N 3.4Å; E163-H165 VanDerWaalsContact C-N 3.31Å; E163-H165 PolarHBondContact O-N 2.86Å; H165-D167 VanDerWaalsContact C-N 3.34Å; H165-N168 PolarHBondContact O-N 3.22Å; H165-L169 WeakPolarHBondContact O-CB 3.12Å; H165-L169 WeakPolarHBondContact O-CG 3.4Å; H165-L169 PolarHBondContact O-N 2.9Å |
| 166 | R | 94.2 | Very high | 94.2 | Very high | 146 Ų | 146 | 95.7 Ų | 95.7 | 55% | 0.551 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.5 | -46.3 | 174.2 | -179.2 | -158.5 | 69.1 | -173.4 | -3.1 | 110.9 | V162 E163 L169 A170 | V162-R166 WeakPolarHBondContact O-CB 3.25Å; V162-R166 PolarHBondContact O-N 3.3Å; E163-R166 WeakPolarHBondContact O-CB 3.42Å; E163-R166 PolarHBondContact O-N 3.26Å; R166-L169 PolarHBondContact O-N 2.94Å; R166-A170 WeakPolarHBondContact O-CB 3.37Å; R166-A170 PolarHBondContact O-N 2.92Å |
| 167 | D | 95.3 | Very high | 93.6 | Very high | 71 Ų | 71 | 100.1 Ų | 100.1 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.1 | -41.5 | -177.8 | -64.4 | -9.4 | 0 | 0 | 0 | 110.8 | E163 V164 H165 L169 A170 D171 | E163-D167 VanDerWaalsContact O-CG 3.23Å; E163-D167 PolarHBondContact O-N 2.88Å; V164-D167 PolarHBondContact O-N 3.31Å; H165-D167 VanDerWaalsContact C-N 3.34Å; D167-L169 PolarHBondContact O-N 3.33Å; D167-A170 WeakPolarHBondContact O-CB 3.39Å; D167-A170 PolarHBondContact O-N 3.22Å; D167-A170 VanDerWaalsContact O-N 3.17Å; D167-D171 PolarHBondContact O-N 2.92Å |
| 168 | N | 93.3 | Very high | 93.2 | Very high | 84 Ų | 84 | 99.6 Ų | 99.6 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 172.2 | -71.5 | -30.7 | 0 | 0 | 0 | 112.6 | V164 H165 A170 D171 D172 | V164-N168 WeakPolarHBondContact O-CB 3.48Å; V164-N168 PolarHBondContact O-N 2.83Å; V164-N168 PolarHBondContact O-ND2 3.48Å; V164-N168 VanDerWaalsContact O-ND2 3.14Å; H165-N168 PolarHBondContact O-N 3.22Å; N168-A170 VanDerWaalsContact C-N 3.33Å; N168-D171 PolarHBondContact O-N 2.9Å; N168-D172 PolarHBondContact O-N 3.36Å |
| 169 | L | 91.3 | Very high | 92.8 | Very high | 81 Ų | 81 | 100.3 Ų | 100.3 | 42% | 0.424 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.7 | -35.8 | 176.4 | -72.9 | 175.4 | 0 | 0 | 0 | 111.9 | H165 R166 D167 D172 I173 | H165-L169 WeakPolarHBondContact O-CB 3.12Å; H165-L169 WeakPolarHBondContact O-CG 3.4Å; H165-L169 PolarHBondContact O-N 2.9Å; R166-L169 PolarHBondContact O-N 2.94Å; D167-L169 PolarHBondContact O-N 3.33Å; L169-D172 PolarHBondContact O-N 2.89Å; L169-I173 WeakPolarHBondContact O-CB 3.26Å; L169-I173 WeakPolarHBondContact O-CD1 3.25Å; L169-I173 WeakPolarHBondContact O-CG1 3.41Å; L169-I173 PolarHBondContact O-N 2.98Å |
| 170 | A | 90.4 | Very high | 92.3 | Very high | 54 Ų | 54 | 99.3 Ų | 99.3 | 45% | 0.446 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | R166 D167 N168 I173 G174 | R166-A170 WeakPolarHBondContact O-CB 3.37Å; R166-A170 PolarHBondContact O-N 2.92Å; D167-A170 WeakPolarHBondContact O-CB 3.39Å; D167-A170 PolarHBondContact O-N 3.22Å; D167-A170 VanDerWaalsContact O-N 3.17Å; N168-A170 VanDerWaalsContact C-N 3.33Å; A170-I173 PolarHBondContact O-N 2.92Å; A170-G174 PolarHBondContact O-N 3.37Å |
| 171 | D | 93.6 | Very high | 91.9 | Very high | 86 Ų | 86 | 103.4 Ų | 103.4 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 173.8 | -76.9 | -5.9 | 0 | 0 | 0 | 111.9 | D167 N168 G174 R175 | D167-D171 PolarHBondContact O-N 2.92Å; N168-D171 PolarHBondContact O-N 2.9Å; D171-G174 WeakPolarHBondContact O-CA 3.43Å; D171-G174 PolarHBondContact O-N 2.89Å; D171-R175 WeakPolarHBondContact O-CG 3.46Å; D171-R175 PolarHBondContact O-N 3.2Å; D171-R175 IonicContact OD2-NH2 3.64Å |
| 172 | D | 91.4 | Very high | 91.4 | Very high | 74 Ų | 74 | 98.3 Ų | 98.3 | 40% | 0.396 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 177.3 | -75.9 | -19.9 | 0 | 0 | 0 | 111.9 | N168 L169 G174 R175 L176 | N168-D172 PolarHBondContact O-N 3.36Å; L169-D172 PolarHBondContact O-N 2.89Å; D172-G174 VanDerWaalsContact C-N 3.32Å; D172-G174 PolarHBondContact O-N 2.94Å; D172-R175 PolarHBondContact O-N 3.46Å; D172-R175 IonicContact OD1-CZ 3.32Å; D172-R175 IonicContact OD1-NH1 2.68Å; D172-R175 PolarHBondContact OD1-NH1 3.46Å; D172-L176 WeakPolarHBondContact O-CB 3.49Å; D172-L176 VanDerWaalsContact O-CG 3.27Å; D172-L176 WeakPolarHBondContact O-CG 3.34Å; D172-L176 PolarHBondContact O-N 2.92Å |
| 173 | I | 90.9 | Very high | 91 | Very high | 82 Ų | 82 | 99.3 Ų | 99.3 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 172.6 | -71.1 | 166 | 0 | 0 | 0 | 110.5 | L169 A170 L176 R177 | L169-I173 WeakPolarHBondContact O-CB 3.26Å; L169-I173 WeakPolarHBondContact O-CD1 3.25Å; L169-I173 WeakPolarHBondContact O-CG1 3.41Å; L169-I173 PolarHBondContact O-N 2.98Å; A170-I173 PolarHBondContact O-N 2.92Å; I173-L176 PolarHBondContact O-N 2.89Å; I173-R177 WeakPolarHBondContact O-CG 3.4Å; I173-R177 PolarHBondContact O-N 2.76Å |
| 174 | G | 90.4 | Very high | 90.1 | Very high | 24 Ų | 24 | 99.4 Ų | 99.4 | 25% | 0.247 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -56.8 | -54.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A170 D171 D172 L176 R177 D178 | A170-G174 PolarHBondContact O-N 3.37Å; D171-G174 WeakPolarHBondContact O-CA 3.43Å; D171-G174 PolarHBondContact O-N 2.89Å; D172-G174 VanDerWaalsContact C-N 3.32Å; D172-G174 PolarHBondContact O-N 2.94Å; G174-L176 VanDerWaalsContact C-N 3.28Å; G174-L176 PolarHBondContact O-N 2.71Å; G174-R177 WeakPolarHBondContact O-CB 3.34Å; G174-R177 PolarHBondContact O-N 3.21Å; G174-D178 PolarHBondContact O-N 3.45Å |
| 175 | R | 90 | Very high | 89.3 | Confident | 134 Ų | 134 | 98.7 Ų | 98.7 | 51% | 0.506 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.2 | -37.8 | 177.7 | -67.4 | 172.6 | -166.1 | 133.7 | 6.7 | 112.9 | D171 D172 K179 | D171-R175 WeakPolarHBondContact O-CG 3.46Å; D171-R175 PolarHBondContact O-N 3.2Å; D171-R175 IonicContact OD2-NH2 3.64Å; D172-R175 PolarHBondContact O-N 3.46Å; D172-R175 IonicContact OD1-CZ 3.32Å; D172-R175 IonicContact OD1-NH1 2.68Å; D172-R175 PolarHBondContact OD1-NH1 3.46Å; R175-K179 WeakPolarHBondContact O-CB 3.48Å; R175-K179 VanDerWaalsContact O-CG 3.29Å; R175-K179 WeakPolarHBondContact O-CG 3.35Å; R175-K179 PolarHBondContact O-N 2.9Å |
| 176 | L | 85.5 | Confident | 88.8 | Confident | 113 Ų | 113 | 98.5 Ų | 98.5 | 59% | 0.592 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -70.6 | -35.5 | 177.2 | -73.8 | 174.5 | 0 | 0 | 0 | 112.2 | D172 I173 G174 L180 | D172-L176 WeakPolarHBondContact O-CB 3.49Å; D172-L176 VanDerWaalsContact O-CG 3.27Å; D172-L176 WeakPolarHBondContact O-CG 3.34Å; D172-L176 PolarHBondContact O-N 2.92Å; I173-L176 PolarHBondContact O-N 2.89Å; G174-L176 VanDerWaalsContact C-N 3.28Å; G174-L176 PolarHBondContact O-N 2.71Å; L176-L180 WeakPolarHBondContact O-CB 3.29Å; L176-L180 PolarHBondContact O-N 2.73Å |
| 177 | R | 86.4 | Confident | 88.5 | Confident | 171 Ų | 171 | 98.3 Ų | 98.3 | 65% | 0.645 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.7 | -44.9 | 173.4 | -75.4 | 174.1 | 178.4 | 153.9 | 0.4 | 111.4 | I173 G174 L180 Q181 | I173-R177 WeakPolarHBondContact O-CG 3.4Å; I173-R177 PolarHBondContact O-N 2.76Å; G174-R177 WeakPolarHBondContact O-CB 3.34Å; G174-R177 PolarHBondContact O-N 3.21Å; R177-L180 WeakPolarHBondContact O-CB 3.38Å; R177-L180 PolarHBondContact O-N 3.21Å; R177-Q181 PolarHBondContact O-N 3.41Å |
| 178 | D | 88.9 | Confident | 88 | Confident | 105 Ų | 105 | 100.5 Ų | 100.5 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.5 | -46.6 | 177.5 | -64.6 | -18 | 0 | 0 | 0 | 110.8 | G174 L180 Q181 D182 | G174-D178 PolarHBondContact O-N 3.45Å; D178-L180 VanDerWaalsContact C-N 3.32Å; D178-L180 PolarHBondContact O-N 3.37Å; D178-Q181 WeakPolarHBondContact O-CB 3.46Å; D178-Q181 PolarHBondContact O-N 2.85Å; D178-Q181 VanDerWaalsContact O-N 3.16Å; D178-D182 PolarHBondContact O-N 2.97Å |
| 179 | K | 90.9 | Very high | 87.7 | Confident | 133 Ų | 133 | 102.3 Ų | 102.3 | 58% | 0.578 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.3 | -41.4 | 174.4 | -75.5 | 176.2 | 179.5 | -178.3 | 0 | 112.8 | R175 Q181 D182 E183 | R175-K179 WeakPolarHBondContact O-CB 3.48Å; R175-K179 VanDerWaalsContact O-CG 3.29Å; R175-K179 WeakPolarHBondContact O-CG 3.35Å; R175-K179 PolarHBondContact O-N 2.9Å; K179-Q181 VanDerWaalsContact C-N 3.34Å; K179-D182 PolarHBondContact O-N 3.38Å; K179-E183 WeakPolarHBondContact O-CB 3.02Å; K179-E183 VanDerWaalsContact O-CG 3.29Å; K179-E183 WeakPolarHBondContact O-CG 3.43Å; K179-E183 PolarHBondContact O-N 3.05Å |
| 180 | L | 86.9 | Confident | 87.2 | Confident | 108 Ų | 108 | 101.1 Ų | 101.1 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.6 | -42.5 | 176.9 | 178.6 | 65.3 | 0 | 0 | 0 | 111 | L176 R177 D178 E183 M184 | L176-L180 WeakPolarHBondContact O-CB 3.29Å; L176-L180 PolarHBondContact O-N 2.73Å; R177-L180 WeakPolarHBondContact O-CB 3.38Å; R177-L180 PolarHBondContact O-N 3.21Å; D178-L180 VanDerWaalsContact C-N 3.32Å; D178-L180 PolarHBondContact O-N 3.37Å; L180-E183 PolarHBondContact O-N 2.95Å; L180-M184 VanDerWaalsContact O-CG 3.29Å; L180-M184 WeakPolarHBondContact O-CG 3.43Å; L180-M184 PolarHBondContact O-N 3.49Å |
| 181 | Q | 88.2 | Confident | 87.2 | Confident | 130 Ų | 130 | 102.7 Ų | 102.7 | 61% | 0.607 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.3 | -47 | 176.1 | -171.7 | 98.5 | 4.8 | 0 | 0 | 111.1 | R177 D178 K179 M184 S185 | R177-Q181 PolarHBondContact O-N 3.41Å; D178-Q181 WeakPolarHBondContact O-CB 3.46Å; D178-Q181 PolarHBondContact O-N 2.85Å; D178-Q181 VanDerWaalsContact O-N 3.16Å; K179-Q181 VanDerWaalsContact C-N 3.34Å; Q181-M184 PolarHBondContact O-N 3.31Å; Q181-S185 PolarHBondContact O-N 3.41Å |
| 182 | D | 86 | Confident | 86.9 | Confident | 96 Ų | 96 | 101.2 Ų | 101.2 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 178.1 | -70.3 | -17.9 | 0 | 0 | 0 | 111.7 | D178 K179 M184 S185 Q186 | D178-D182 PolarHBondContact O-N 2.97Å; K179-D182 PolarHBondContact O-N 3.38Å; D182-M184 PolarHBondContact O-N 3.48Å; D182-S185 PolarHBondContact O-N 2.79Å; D182-Q186 WeakPolarHBondContact O-CG 3.46Å; D182-Q186 PolarHBondContact O-N 2.87Å |
| 183 | E | 88.9 | Confident | 86.8 | Confident | 120 Ų | 120 | 101.2 Ų | 101.2 | 56% | 0.561 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.2 | -38 | 177 | -72.3 | -66.1 | 154.5 | 0 | 0 | 112.2 | K179 L180 Q186 R187 | K179-E183 WeakPolarHBondContact O-CB 3.02Å; K179-E183 VanDerWaalsContact O-CG 3.29Å; K179-E183 WeakPolarHBondContact O-CG 3.43Å; K179-E183 PolarHBondContact O-N 3.05Å; L180-E183 PolarHBondContact O-N 2.95Å; E183-Q186 PolarHBondContact O-N 2.92Å; E183-R187 WeakPolarHBondContact O-CB 3.39Å; E183-R187 PolarHBondContact O-N 2.92Å |
| 184 | M | 77.2 | Confident | 86.7 | Confident | 77 Ų | 77 | 101.5 Ų | 101.5 | 38% | 0.379 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 173 | -71.7 | -169.4 | -30.6 | 0 | 0 | 111.2 | L180 Q181 D182 Q186 R187 E188 | L180-M184 VanDerWaalsContact O-CG 3.29Å; L180-M184 WeakPolarHBondContact O-CG 3.43Å; L180-M184 PolarHBondContact O-N 3.49Å; Q181-M184 PolarHBondContact O-N 3.31Å; D182-M184 PolarHBondContact O-N 3.48Å; M184-Q186 VanDerWaalsContact C-N 3.34Å; M184-Q186 PolarHBondContact O-N 3.39Å; M184-R187 WeakPolarHBondContact O-CB 3.27Å; M184-R187 PolarHBondContact O-N 2.92Å; M184-E188 WeakPolarHBondContact O-CG 3.29Å; M184-E188 PolarHBondContact O-N 2.81Å |
| 185 | S | 81.8 | Confident | 86.7 | Confident | 69 Ų | 69 | 107.2 Ų | 107.2 | 48% | 0.483 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 178.1 | -171.4 | 0 | 0 | 0 | 0 | 111.8 | Q181 D182 R187 E188 E189 | Q181-S185 PolarHBondContact O-N 3.41Å; D182-S185 PolarHBondContact O-N 2.79Å; S185-R187 VanDerWaalsContact C-N 3.35Å; S185-E188 PolarHBondContact O-N 3.04Å; S185-E189 PolarHBondContact O-N 2.93Å |
| 186 | Q | 83.6 | Confident | 86.8 | Confident | 110 Ų | 110 | 103 Ų | 103 | 51% | 0.514 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 175.7 | -72.7 | 177.2 | 42.3 | 0 | 0 | 111.8 | D182 E183 M184 E189 A190 | D182-Q186 WeakPolarHBondContact O-CG 3.46Å; D182-Q186 PolarHBondContact O-N 2.87Å; E183-Q186 PolarHBondContact O-N 2.92Å; M184-Q186 VanDerWaalsContact C-N 3.34Å; M184-Q186 PolarHBondContact O-N 3.39Å; Q186-E189 PolarHBondContact O-N 3.16Å; Q186-A190 WeakPolarHBondContact O-CB 3.49Å; Q186-A190 PolarHBondContact O-N 3.25Å |
| 187 | R | 86.7 | Confident | 87.2 | Confident | 143 Ų | 143 | 104 Ų | 104 | 54% | 0.54 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 175.2 | -164 | -170.1 | 92 | -143.9 | -5.5 | 111.4 | E183 M184 S185 A190 E191 | E183-R187 WeakPolarHBondContact O-CB 3.39Å; E183-R187 PolarHBondContact O-N 2.92Å; M184-R187 WeakPolarHBondContact O-CB 3.27Å; M184-R187 PolarHBondContact O-N 2.92Å; S185-R187 VanDerWaalsContact C-N 3.35Å; R187-A190 PolarHBondContact O-N 3.49Å; R187-E191 IonicContact CZ-OE1 2.89Å; R187-E191 IonicContact NE-OE1 2.76Å; R187-E191 PolarHBondContact NE-OE1 2.68Å; R187-E191 IonicContact NH2-OE1 2.71Å; R187-E191 WeakPolarHBondContact O-CB 3.48Å; R187-E191 WeakPolarHBondContact O-CG 3.37Å; R187-E191 PolarHBondContact O-N 3.03Å |
| 188 | E | 84.9 | Confident | 87.6 | Confident | 116 Ų | 116 | 103.5 Ų | 103.5 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 177.1 | -73.9 | 176.1 | -179.5 | 0 | 0 | 111.6 | M184 S185 E191 A192 | M184-E188 WeakPolarHBondContact O-CG 3.29Å; M184-E188 PolarHBondContact O-N 2.81Å; S185-E188 PolarHBondContact O-N 3.04Å; E188-E191 PolarHBondContact O-N 2.92Å; E188-A192 WeakPolarHBondContact O-CB 3.28Å; E188-A192 PolarHBondContact O-N 3.31Å |
| 189 | E | 87.8 | Confident | 87.9 | Confident | 122 Ų | 122 | 104.2 Ų | 104.2 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -43.5 | 175 | -172.7 | -179.8 | 174.6 | 0 | 0 | 111.8 | S185 Q186 A192 N193 | S185-E189 PolarHBondContact O-N 2.93Å; Q186-E189 PolarHBondContact O-N 3.16Å; E189-A192 PolarHBondContact O-N 3.21Å; E189-N193 WeakPolarHBondContact O-CB 3.44Å; E189-N193 VanDerWaalsContact O-CG 3.25Å; E189-N193 PolarHBondContact O-N 3.16Å; E189-N193 PolarHBondContact O-ND2 3.28Å |
| 190 | A | 80.4 | Confident | 88.2 | Confident | 56 Ų | 56 | 102.1 Ų | 102.1 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q186 R187 N193 M194 | Q186-A190 WeakPolarHBondContact O-CB 3.49Å; Q186-A190 PolarHBondContact O-N 3.25Å; R187-A190 PolarHBondContact O-N 3.49Å; A190-N193 PolarHBondContact O-N 2.97Å; A190-M194 WeakPolarHBondContact O-CB 3.33Å; A190-M194 PolarHBondContact O-N 3.4Å |
| 191 | E | 89.8 | Confident | 88.7 | Confident | 87 Ų | 87 | 101.5 Ų | 101.5 | 41% | 0.407 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 174.4 | -77.5 | 175.2 | -162.5 | 0 | 0 | 111.4 | R187 E188 M194 Q195 | R187-E191 IonicContact CZ-OE1 2.89Å; R187-E191 IonicContact NE-OE1 2.76Å; R187-E191 PolarHBondContact NE-OE1 2.68Å; R187-E191 IonicContact NH2-OE1 2.71Å; R187-E191 WeakPolarHBondContact O-CB 3.48Å; R187-E191 WeakPolarHBondContact O-CG 3.37Å; R187-E191 PolarHBondContact O-N 3.03Å; E188-E191 PolarHBondContact O-N 2.92Å; E191-M194 HydrophobicContact CG-CE 4.32Å; E191-M194 PolarHBondContact O-N 3.3Å; E191-Q195 PolarHBondContact O-N 3.08Å |
| 192 | A | 88.3 | Confident | 89.1 | Confident | 55 Ų | 55 | 100.1 Ų | 100.1 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E188 E189 M194 Q195 S196 | E188-A192 WeakPolarHBondContact O-CB 3.28Å; E188-A192 PolarHBondContact O-N 3.31Å; E189-A192 PolarHBondContact O-N 3.21Å; A192-M194 PolarHBondContact O-N 3.42Å; A192-Q195 PolarHBondContact O-N 2.96Å; A192-S196 PolarHBondContact O-N 3.5Å |
| 193 | N | 89.8 | Confident | 89.7 | Confident | 74 Ų | 74 | 99.6 Ų | 99.6 | 40% | 0.396 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 175.8 | -72.8 | -27.2 | 0 | 0 | 0 | 112.2 | E189 A190 Q195 S196 F197 | E189-N193 WeakPolarHBondContact O-CB 3.44Å; E189-N193 VanDerWaalsContact O-CG 3.25Å; E189-N193 PolarHBondContact O-N 3.16Å; E189-N193 PolarHBondContact O-ND2 3.28Å; A190-N193 PolarHBondContact O-N 2.97Å; N193-Q195 VanDerWaalsContact C-N 3.31Å; N193-Q195 PolarHBondContact O-N 3.2Å; N193-S196 WeakPolarHBondContact CA-OG 3.31Å; N193-S196 PolarHBondContact O-N 3.14Å; N193-S196 PolarHBondContact O-OG 2.9Å; N193-F197 WeakPolarHBondContact O-CD2 3.47Å; N193-F197 VanDerWaalsContact O-CG 3.31Å; N193-F197 WeakPolarHBondContact O-CG 3.17Å; N193-F197 PolarHBondContact O-N 3.18Å |
| 194 | M | 88.3 | Confident | 90 | Very high | 89 Ų | 89 | 96.7 Ų | 96.7 | 44% | 0.438 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 173.9 | 175 | 176.4 | 38.1 | 0 | 0 | 111.5 | A190 E191 A192 F197 R198 | A190-M194 WeakPolarHBondContact O-CB 3.33Å; A190-M194 PolarHBondContact O-N 3.4Å; E191-M194 HydrophobicContact CG-CE 4.32Å; E191-M194 PolarHBondContact O-N 3.3Å; A192-M194 PolarHBondContact O-N 3.42Å; M194-F197 PolarHBondContact O-N 2.97Å; M194-R198 WeakPolarHBondContact O-CG 3.32Å; M194-R198 PolarHBondContact O-N 3.39Å |
| 195 | Q | 90.1 | Very high | 91 | Very high | 144 Ų | 144 | 94.8 Ų | 94.8 | 67% | 0.673 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.2 | -41.4 | 177 | -172 | 170.6 | 12.2 | 0 | 0 | 111.8 | E191 A192 N193 R198 Q199 | E191-Q195 PolarHBondContact O-N 3.08Å; A192-Q195 PolarHBondContact O-N 2.96Å; N193-Q195 VanDerWaalsContact C-N 3.31Å; N193-Q195 PolarHBondContact O-N 3.2Å; Q195-R198 PolarHBondContact O-N 3.36Å; Q195-Q199 PolarHBondContact O-N 2.95Å |
| 196 | S | 92.4 | Very high | 91.7 | Very high | 44 Ų | 44 | 96.3 Ų | 96.3 | 31% | 0.308 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 174.4 | 66.3 | 0 | 0 | 0 | 0 | 111.4 | A192 N193 R198 Q199 D200 | A192-S196 PolarHBondContact O-N 3.5Å; N193-S196 WeakPolarHBondContact CA-OG 3.31Å; N193-S196 PolarHBondContact O-N 3.14Å; N193-S196 PolarHBondContact O-OG 2.9Å; S196-R198 VanDerWaalsContact C-N 3.32Å; S196-R198 PolarHBondContact O-N 2.91Å; S196-Q199 WeakPolarHBondContact O-CB 3.35Å; S196-Q199 PolarHBondContact O-N 3.06Å; S196-Q199 VanDerWaalsContact O-N 3.1Å; S196-D200 PolarHBondContact O-N 3.27Å |
| 197 | F | 94.1 | Very high | 92.4 | Very high | 134 Ų | 134 | 93.5 Ų | 93.5 | 59% | 0.588 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.3 | -36.4 | 175.5 | -69 | -38.9 | 0 | 0 | 0 | 113.2 | N193 M194 D200 V201 | N193-F197 WeakPolarHBondContact O-CD2 3.47Å; N193-F197 VanDerWaalsContact O-CG 3.31Å; N193-F197 WeakPolarHBondContact O-CG 3.17Å; N193-F197 PolarHBondContact O-N 3.18Å; M194-F197 PolarHBondContact O-N 2.97Å; F197-D200 PolarHBondContact O-N 3.3Å; F197-V201 VanDerWaalsContact O-CG2 3.28Å; F197-V201 WeakPolarHBondContact O-CG2 3.29Å; F197-V201 PolarHBondContact O-N 3.32Å |
| 198 | R | 94.1 | Very high | 92.9 | Very high | 162 Ų | 162 | 93.6 Ų | 93.6 | 61% | 0.611 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.2 | -45.3 | 172.5 | -77.6 | -179.5 | -175.9 | 170.1 | 4.8 | 111.3 | M194 Q195 S196 D200 V201 D202 | M194-R198 WeakPolarHBondContact O-CG 3.32Å; M194-R198 PolarHBondContact O-N 3.39Å; Q195-R198 PolarHBondContact O-N 3.36Å; S196-R198 VanDerWaalsContact C-N 3.32Å; S196-R198 PolarHBondContact O-N 2.91Å; R198-D200 VanDerWaalsContact C-N 3.32Å; R198-D200 PolarHBondContact O-N 3.4Å; R198-V201 PolarHBondContact O-N 2.91Å; R198-D202 PolarHBondContact O-N 3.4Å |
| 199 | Q | 96.1 | Very high | 93.6 | Very high | 119 Ų | 119 | 91.5 Ų | 91.5 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.9 | -41.7 | 176.3 | -175.4 | 175.3 | 22.3 | 0 | 0 | 111.7 | Q195 S196 D202 N203 | Q195-Q199 PolarHBondContact O-N 2.95Å; S196-Q199 WeakPolarHBondContact O-CB 3.35Å; S196-Q199 PolarHBondContact O-N 3.06Å; S196-Q199 VanDerWaalsContact O-N 3.1Å; Q199-D202 PolarHBondContact O-N 2.87Å; Q199-N203 WeakPolarHBondContact O-CB 3.4Å; Q199-N203 PolarHBondContact O-N 3.46Å; Q199-N203 PolarHBondContact O-ND2 3.37Å |
| 200 | D | 96.5 | Very high | 94.1 | Very high | 90 Ų | 90 | 90 Ų | 90 | 48% | 0.481 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 176.7 | -71.2 | -21.4 | 0 | 0 | 0 | 112.2 | S196 F197 R198 N203 A204 | S196-D200 PolarHBondContact O-N 3.27Å; F197-D200 PolarHBondContact O-N 3.3Å; R198-D200 VanDerWaalsContact C-N 3.32Å; R198-D200 PolarHBondContact O-N 3.4Å; D200-N203 PolarHBondContact O-N 2.9Å; D200-A204 VanDerWaalsContact O-CB 3.3Å; D200-A204 WeakPolarHBondContact O-CB 3.47Å; D200-A204 PolarHBondContact O-N 3.45Å |
| 201 | V | 97.9 | Very high | 94.9 | Very high | 95 Ų | 95 | 92.8 Ų | 92.8 | 58% | 0.576 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.6 | -44.3 | 174.1 | 169.1 | 0 | 0 | 0 | 0 | 111 | F197 R198 A204 A205 | F197-V201 VanDerWaalsContact O-CG2 3.28Å; F197-V201 WeakPolarHBondContact O-CG2 3.29Å; F197-V201 PolarHBondContact O-N 3.32Å; R198-V201 PolarHBondContact O-N 2.91Å; V201-A204 PolarHBondContact O-N 2.95Å; V201-A205 WeakPolarHBondContact O-CB 3.25Å; V201-A205 PolarHBondContact O-N 3.4Å |
| 202 | D | 97.1 | Very high | 95.3 | Very high | 101 Ų | 101 | 93.1 Ų | 93.1 | 54% | 0.54 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 177.2 | -70.8 | -21.2 | 0 | 0 | 0 | 111 | R198 Q199 A204 A205 L206 | R198-D202 PolarHBondContact O-N 3.4Å; Q199-D202 PolarHBondContact O-N 2.87Å; D202-A204 PolarHBondContact O-N 2.96Å; D202-A205 PolarHBondContact O-N 3.35Å; D202-L206 WeakPolarHBondContact O-CG 3.35Å; D202-L206 PolarHBondContact O-N 2.9Å |
| 203 | N | 96.8 | Very high | 95.7 | Very high | 84 Ų | 84 | 98.1 Ų | 98.1 | 45% | 0.449 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 175.1 | -71.2 | -24.4 | 0 | 0 | 0 | 111.8 | Q199 D200 A205 L206 A207 | Q199-N203 WeakPolarHBondContact O-CB 3.4Å; Q199-N203 PolarHBondContact O-N 3.46Å; Q199-N203 PolarHBondContact O-ND2 3.37Å; D200-N203 PolarHBondContact O-N 2.9Å; N203-A205 VanDerWaalsContact C-N 3.34Å; N203-L206 PolarHBondContact O-N 2.97Å; N203-A207 WeakPolarHBondContact O-CB 3.46Å; N203-A207 PolarHBondContact O-N 2.92Å |
| 204 | A | 96.3 | Very high | 96.1 | Very high | 60 Ų | 60 | 101.2 Ų | 101.2 | 50% | 0.496 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | D200 V201 D202 A207 R208 | D200-A204 VanDerWaalsContact O-CB 3.3Å; D200-A204 WeakPolarHBondContact O-CB 3.47Å; D200-A204 PolarHBondContact O-N 3.45Å; V201-A204 PolarHBondContact O-N 2.95Å; D202-A204 PolarHBondContact O-N 2.96Å; A204-A207 PolarHBondContact O-N 2.84Å; A204-R208 WeakPolarHBondContact O-CB 3.41Å; A204-R208 PolarHBondContact O-N 2.93Å |
| 205 | A | 97.7 | Very high | 96.6 | Very high | 36 Ų | 36 | 100.2 Ų | 100.2 | 30% | 0.298 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.1 | -41.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | V201 D202 N203 R208 L209 | V201-A205 WeakPolarHBondContact O-CB 3.25Å; V201-A205 PolarHBondContact O-N 3.4Å; D202-A205 PolarHBondContact O-N 3.35Å; N203-A205 VanDerWaalsContact C-N 3.34Å; A205-R208 PolarHBondContact O-N 3.43Å; A205-L209 PolarHBondContact O-N 2.9Å |
| 206 | L | 97.5 | Very high | 96.9 | Very high | 102 Ų | 102 | 97.4 Ų | 97.4 | 53% | 0.534 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62 | -47.8 | 173.1 | -71.3 | 174.9 | 0 | 0 | 0 | 111.4 | D202 N203 R208 L209 D210 | D202-L206 WeakPolarHBondContact O-CG 3.35Å; D202-L206 PolarHBondContact O-N 2.9Å; N203-L206 PolarHBondContact O-N 2.97Å; L206-R208 VanDerWaalsContact C-N 3.29Å; L206-R208 PolarHBondContact O-N 2.87Å; L206-L209 WeakPolarHBondContact O-CB 3.34Å; L206-L209 PolarHBondContact O-N 2.98Å; L206-L209 VanDerWaalsContact O-N 3.17Å; L206-D210 PolarHBondContact O-N 3.25Å |
| 207 | A | 97.7 | Very high | 97.2 | Very high | 51 Ų | 51 | 98.5 Ų | 98.5 | 42% | 0.421 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N203 A204 D210 L211 | N203-A207 WeakPolarHBondContact O-CB 3.46Å; N203-A207 PolarHBondContact O-N 2.92Å; A204-A207 PolarHBondContact O-N 2.84Å; A207-D210 PolarHBondContact O-N 3.5Å; A207-L211 WeakPolarHBondContact O-CG 3.45Å; A207-L211 PolarHBondContact O-N 3.41Å |
| 208 | R | 98.2 | Very high | 97.4 | Very high | 144 Ų | 144 | 96.1 Ų | 96.1 | 54% | 0.543 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 174.6 | -163.5 | -169.4 | 84.8 | -133.2 | -1.7 | 111.3 | A204 A205 L206 D210 L211 E212 | A204-R208 WeakPolarHBondContact O-CB 3.41Å; A204-R208 PolarHBondContact O-N 2.93Å; A205-R208 PolarHBondContact O-N 3.43Å; L206-R208 VanDerWaalsContact C-N 3.29Å; L206-R208 PolarHBondContact O-N 2.87Å; R208-D210 VanDerWaalsContact C-N 3.33Å; R208-D210 PolarHBondContact O-N 2.97Å; R208-L211 PolarHBondContact O-N 2.69Å; R208-E212 IonicContact CZ-OE1 2.77Å; R208-E212 IonicContact NE-OE1 3.08Å; R208-E212 PolarHBondContact NE-OE1 3.39Å; R208-E212 IonicContact NH2-OE1 3.43Å; R208-E212 WeakPolarHBondContact O-CB 3.35Å; R208-E212 WeakPolarHBondContact O-CG 3.49Å; R208-E212 PolarHBondContact O-N 2.87Å |
| 209 | L | 98.3 | Very high | 97.6 | Very high | 73 Ų | 73 | 95 Ų | 95 | 38% | 0.382 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 177.7 | -93.7 | 170.3 | 0 | 0 | 0 | 112.3 | A205 L206 E212 R213 | A205-L209 PolarHBondContact O-N 2.9Å; L206-L209 WeakPolarHBondContact O-CB 3.34Å; L206-L209 PolarHBondContact O-N 2.98Å; L206-L209 VanDerWaalsContact O-N 3.17Å; L209-E212 PolarHBondContact O-N 3.02Å; L209-R213 WeakPolarHBondContact O-CG 3.41Å; L209-R213 PolarHBondContact O-N 3.29Å |
| 210 | D | 97.8 | Very high | 97.6 | Very high | 90 Ų | 90 | 95.1 Ų | 95.1 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.3 | -38 | 178.2 | -73.2 | -21 | 0 | 0 | 0 | 112.1 | L206 A207 R208 R213 K214 | L206-D210 PolarHBondContact O-N 3.25Å; A207-D210 PolarHBondContact O-N 3.5Å; R208-D210 VanDerWaalsContact C-N 3.33Å; R208-D210 PolarHBondContact O-N 2.97Å; D210-R213 PolarHBondContact O-N 3.48Å; D210-R213 IonicContact OD1-NH1 3.84Å; D210-R213 PolarHBondContact OD1-NH1 3.15Å; D210-K214 WeakPolarHBondContact O-CB 3.43Å; D210-K214 PolarHBondContact O-N 2.92Å |
| 211 | L | 97.6 | Very high | 97.7 | Very high | 115 Ų | 115 | 96 Ų | 96 | 60% | 0.602 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.7 | -42 | 171.8 | -71.7 | 173.3 | 0 | 0 | 0 | 112 | A207 R208 K214 V215 | A207-L211 WeakPolarHBondContact O-CG 3.45Å; A207-L211 PolarHBondContact O-N 3.41Å; R208-L211 PolarHBondContact O-N 2.69Å; L211-K214 PolarHBondContact O-N 3.26Å; L211-V215 WeakPolarHBondContact O-CG2 3.5Å; L211-V215 PolarHBondContact O-N 2.97Å |
| 212 | E | 97.8 | Very high | 97.7 | Very high | 93 Ų | 93 | 95.8 Ų | 95.8 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 175.3 | -76.2 | 170 | -171.4 | 0 | 0 | 111.2 | R208 L209 K214 V215 E216 | R208-E212 IonicContact CZ-OE1 2.77Å; R208-E212 IonicContact NE-OE1 3.08Å; R208-E212 PolarHBondContact NE-OE1 3.39Å; R208-E212 IonicContact NH2-OE1 3.43Å; R208-E212 WeakPolarHBondContact O-CB 3.35Å; R208-E212 WeakPolarHBondContact O-CG 3.49Å; R208-E212 PolarHBondContact O-N 2.87Å; L209-E212 PolarHBondContact O-N 3.02Å; E212-K214 VanDerWaalsContact C-N 3.34Å; E212-K214 PolarHBondContact O-N 3.08Å; E212-V215 PolarHBondContact O-N 3.33Å; E212-E216 PolarHBondContact O-N 2.96Å |
| 213 | R | 97.9 | Very high | 97.7 | Very high | 160 Ų | 160 | 95 Ų | 95 | 60% | 0.604 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.3 | -42.1 | 174.4 | -72.7 | 173.4 | -175.9 | 155.4 | -3.8 | 112.3 | L209 D210 E216 S217 | L209-R213 WeakPolarHBondContact O-CG 3.41Å; L209-R213 PolarHBondContact O-N 3.29Å; D210-R213 PolarHBondContact O-N 3.48Å; D210-R213 IonicContact OD1-NH1 3.84Å; D210-R213 PolarHBondContact OD1-NH1 3.15Å; R213-E216 PolarHBondContact O-N 3.2Å; R213-S217 WeakPolarHBondContact O-CB 3.42Å; R213-S217 PolarHBondContact O-N 3.23Å |
| 214 | K | 98.1 | Very high | 97.7 | Very high | 139 Ų | 139 | 97.2 Ų | 97.2 | 60% | 0.604 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.7 | -39.9 | 178 | -169.8 | 169.5 | -174.9 | 174.3 | 0 | 111.7 | D210 L211 E212 L218 | D210-K214 WeakPolarHBondContact O-CB 3.43Å; D210-K214 PolarHBondContact O-N 2.92Å; L211-K214 PolarHBondContact O-N 3.26Å; E212-K214 VanDerWaalsContact C-N 3.34Å; E212-K214 PolarHBondContact O-N 3.08Å; K214-L218 HydrophobicContact CG-CD1 4.33Å; K214-L218 WeakPolarHBondContact O-CB 3.48Å; K214-L218 VanDerWaalsContact O-CG 3.26Å; K214-L218 WeakPolarHBondContact O-CG 3.4Å; K214-L218 PolarHBondContact O-N 3.46Å |
| 215 | V | 98.3 | Very high | 97.8 | Very high | 68 Ų | 68 | 98.9 Ų | 98.9 | 41% | 0.412 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 173.6 | 168.1 | 0 | 0 | 0 | 0 | 110.7 | L211 E212 L218 R219 | L211-V215 WeakPolarHBondContact O-CG2 3.5Å; L211-V215 PolarHBondContact O-N 2.97Å; E212-V215 PolarHBondContact O-N 3.33Å; V215-L218 PolarHBondContact O-N 3.39Å; V215-R219 VanDerWaalsContact O-CG 3.29Å; V215-R219 WeakPolarHBondContact O-CG 3.33Å; V215-R219 PolarHBondContact O-N 2.92Å |
| 216 | E | 97.9 | Very high | 97.8 | Very high | 86 Ų | 86 | 103 Ų | 103 | 40% | 0.402 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.6 | -45.2 | 179.2 | -163.3 | 57.8 | -149.1 | 0 | 0 | 111.9 | E212 R213 L218 R219 E220 | E212-E216 PolarHBondContact O-N 2.96Å; R213-E216 PolarHBondContact O-N 3.2Å; E216-L218 VanDerWaalsContact C-N 3.33Å; E216-L218 PolarHBondContact O-N 2.85Å; E216-R219 WeakPolarHBondContact O-CB 3Å; E216-R219 PolarHBondContact O-N 3.38Å; E216-R219 IonicContact OE2-NH1 3.3Å; E216-R219 PolarHBondContact OE2-NH1 3.48Å; E216-E220 WeakPolarHBondContact O-CG 3.42Å; E216-E220 PolarHBondContact O-N 3.11Å |
| 217 | S | 97.9 | Very high | 97.7 | Very high | 66 Ų | 66 | 104.7 Ų | 104.7 | 46% | 0.462 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.8 | -43.1 | 174.6 | 173.6 | 0 | 0 | 0 | 0 | 112.5 | R213 R219 E220 E221 | R213-S217 WeakPolarHBondContact O-CB 3.42Å; R213-S217 PolarHBondContact O-N 3.23Å; S217-R219 VanDerWaalsContact C-N 3.33Å; S217-R219 PolarHBondContact O-N 2.87Å; S217-E220 PolarHBondContact O-N 2.92Å; S217-E221 WeakPolarHBondContact O-CB 3.41Å; S217-E221 PolarHBondContact O-N 2.87Å |
| 218 | L | 97.8 | Very high | 97.7 | Very high | 84 Ų | 84 | 105.4 Ų | 105.4 | 44% | 0.44 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.2 | -33.5 | 175.8 | -71.9 | 171.4 | 0 | 0 | 0 | 112.3 | K214 V215 E216 E221 I222 | K214-L218 HydrophobicContact CG-CD1 4.33Å; K214-L218 WeakPolarHBondContact O-CB 3.48Å; K214-L218 VanDerWaalsContact O-CG 3.26Å; K214-L218 WeakPolarHBondContact O-CG 3.4Å; K214-L218 PolarHBondContact O-N 3.46Å; V215-L218 PolarHBondContact O-N 3.39Å; E216-L218 VanDerWaalsContact C-N 3.33Å; E216-L218 PolarHBondContact O-N 2.85Å; L218-E221 PolarHBondContact O-N 3.17Å; L218-I222 VanDerWaalsContact O-CG1 3.26Å; L218-I222 WeakPolarHBondContact O-CG1 3.41Å; L218-I222 PolarHBondContact O-N 2.91Å |
| 219 | R | 97.8 | Very high | 97.6 | Very high | 139 Ų | 139 | 103.5 Ų | 103.5 | 53% | 0.525 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.8 | -43.2 | 174.1 | -75.2 | 169.9 | 176.9 | 172.7 | -0.5 | 111.6 | V215 E216 S217 E221 I222 N223 | V215-R219 VanDerWaalsContact O-CG 3.29Å; V215-R219 WeakPolarHBondContact O-CG 3.33Å; V215-R219 PolarHBondContact O-N 2.92Å; E216-R219 WeakPolarHBondContact O-CB 3Å; E216-R219 PolarHBondContact O-N 3.38Å; E216-R219 IonicContact OE2-NH1 3.3Å; E216-R219 PolarHBondContact OE2-NH1 3.48Å; S217-R219 VanDerWaalsContact C-N 3.33Å; S217-R219 PolarHBondContact O-N 2.87Å; R219-E221 VanDerWaalsContact C-N 3.3Å; R219-E221 PolarHBondContact O-N 2.99Å; R219-I222 PolarHBondContact O-N 3.29Å; R219-N223 WeakPolarHBondContact O-CB 3.42Å; R219-N223 VanDerWaalsContact O-CG 3.23Å; R219-N223 PolarHBondContact O-N 3.41Å; R219-N223 PolarHBondContact O-ND2 2.89Å |
| 220 | E | 97.7 | Very high | 97.5 | Very high | 121 Ų | 121 | 104.7 Ų | 104.7 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59 | -43.8 | 173.9 | -71.7 | 177.1 | 173.6 | 0 | 0 | 110.8 | E216 S217 N223 F224 | E216-E220 WeakPolarHBondContact O-CG 3.42Å; E216-E220 PolarHBondContact O-N 3.11Å; S217-E220 PolarHBondContact O-N 2.92Å; E220-N223 PolarHBondContact O-N 2.95Å; E220-F224 WeakPolarHBondContact O-CB 3.5Å; E220-F224 PolarHBondContact O-N 2.77Å |
| 221 | E | 97.7 | Very high | 97.4 | Very high | 108 Ų | 108 | 105.9 Ų | 105.9 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 176 | -173.9 | 169.5 | -167.6 | 0 | 0 | 112.3 | S217 L218 R219 N223 F224 L225 | S217-E221 WeakPolarHBondContact O-CB 3.41Å; S217-E221 PolarHBondContact O-N 2.87Å; L218-E221 PolarHBondContact O-N 3.17Å; R219-E221 VanDerWaalsContact C-N 3.3Å; R219-E221 PolarHBondContact O-N 2.99Å; E221-N223 VanDerWaalsContact C-N 3.33Å; E221-N223 PolarHBondContact O-N 3Å; E221-F224 PolarHBondContact O-N 3.47Å; E221-L225 HydrophobicContact CG-CD1 4.41Å; E221-L225 WeakPolarHBondContact O-CG 3.37Å; E221-L225 PolarHBondContact O-N 3.4Å |
| 222 | I | 97.1 | Very high | 97.2 | Very high | 91 Ų | 91 | 105 Ų | 105 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 174.4 | -71.6 | 165.5 | 0 | 0 | 0 | 111.1 | L218 R219 F224 L225 K226 | L218-I222 VanDerWaalsContact O-CG1 3.26Å; L218-I222 WeakPolarHBondContact O-CG1 3.41Å; L218-I222 PolarHBondContact O-N 2.91Å; R219-I222 PolarHBondContact O-N 3.29Å; I222-F224 VanDerWaalsContact C-N 3.34Å; I222-L225 PolarHBondContact O-N 3.43Å; I222-K226 HydrophobicContact CG2-CD 4.26Å; I222-K226 WeakPolarHBondContact O-CG 3.45Å; I222-K226 PolarHBondContact O-N 3.43Å |
| 223 | N | 97.5 | Very high | 97 | Very high | 86 Ų | 86 | 105.2 Ų | 105.2 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.8 | -37.9 | 179.5 | -73.3 | -27.3 | 0 | 0 | 0 | 111.8 | R219 E220 E221 K226 K227 | R219-N223 WeakPolarHBondContact O-CB 3.42Å; R219-N223 VanDerWaalsContact O-CG 3.23Å; R219-N223 PolarHBondContact O-N 3.41Å; R219-N223 PolarHBondContact O-ND2 2.89Å; E220-N223 PolarHBondContact O-N 2.95Å; E221-N223 VanDerWaalsContact C-N 3.33Å; E221-N223 PolarHBondContact O-N 3Å; N223-K226 PolarHBondContact O-N 2.6Å; N223-K227 WeakPolarHBondContact O-CG 3.45Å; N223-K227 PolarHBondContact O-N 3.35Å |
| 224 | F | 97.9 | Very high | 96.8 | Very high | 129 Ų | 129 | 102.3 Ų | 102.3 | 57% | 0.566 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.5 | -50 | 173.3 | 174.3 | -99.9 | 0 | 0 | 0 | 111.2 | E220 E221 I222 K226 K227 L228 | E220-F224 WeakPolarHBondContact O-CB 3.5Å; E220-F224 PolarHBondContact O-N 2.77Å; E221-F224 PolarHBondContact O-N 3.47Å; I222-F224 VanDerWaalsContact C-N 3.34Å; F224-K226 VanDerWaalsContact C-N 3.31Å; F224-K226 PolarHBondContact O-N 3.08Å; F224-K227 PolarHBondContact O-N 2.96Å; F224-L228 WeakPolarHBondContact O-CB 3.44Å; F224-L228 PolarHBondContact O-N 3.5Å |
| 225 | L | 97.6 | Very high | 96.5 | Very high | 95 Ų | 95 | 101.5 Ų | 101.5 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.7 | -38.6 | 177.7 | -71.9 | 171.7 | 0 | 0 | 0 | 112.6 | E221 I222 H229 | E221-L225 HydrophobicContact CG-CD1 4.41Å; E221-L225 WeakPolarHBondContact O-CG 3.37Å; E221-L225 PolarHBondContact O-N 3.4Å; I222-L225 PolarHBondContact O-N 3.43Å; L225-H229 WeakPolarHBondContact O-CB 3.5Å; L225-H229 PolarHBondContact O-N 3.07Å |
| 226 | K | 97.1 | Very high | 96.1 | Very high | 123 Ų | 123 | 102.7 Ų | 102.7 | 54% | 0.535 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 174.5 | -76.7 | 178.2 | 178.9 | -179.1 | 0 | 112.1 | I222 N223 F224 L228 H229 D230 | I222-K226 HydrophobicContact CG2-CD 4.26Å; I222-K226 WeakPolarHBondContact O-CG 3.45Å; I222-K226 PolarHBondContact O-N 3.43Å; N223-K226 PolarHBondContact O-N 2.6Å; F224-K226 VanDerWaalsContact C-N 3.31Å; F224-K226 PolarHBondContact O-N 3.08Å; K226-L228 VanDerWaalsContact C-N 3.33Å; K226-L228 PolarHBondContact O-N 3.35Å; K226-H229 PolarHBondContact O-N 3.2Å; K226-D230 WeakPolarHBondContact O-CB 3.22Å; K226-D230 VanDerWaalsContact O-CG 3.26Å; K226-D230 PolarHBondContact O-N 2.88Å |
| 227 | K | 97.2 | Very high | 95.5 | Very high | 137 Ų | 137 | 103.8 Ų | 103.8 | 60% | 0.596 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.3 | -44.6 | 177.4 | -74.1 | 177.3 | -179.2 | -179.2 | 0 | 111.6 | N223 F224 H229 D230 E231 | N223-K227 WeakPolarHBondContact O-CG 3.45Å; N223-K227 PolarHBondContact O-N 3.35Å; F224-K227 PolarHBondContact O-N 2.96Å; K227-H229 VanDerWaalsContact C-N 3.32Å; K227-H229 PolarHBondContact O-N 2.85Å; K227-D230 PolarHBondContact O-N 3.45Å; K227-E231 WeakPolarHBondContact O-CB 3.44Å; K227-E231 WeakPolarHBondContact O-CG 3.47Å; K227-E231 PolarHBondContact O-N 3.08Å |
| 228 | L | 97.3 | Very high | 95 | Very high | 66 Ų | 66 | 104.3 Ų | 104.3 | 35% | 0.346 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 176.6 | -176.1 | 68.3 | 0 | 0 | 0 | 111 | F224 K226 E231 E232 | F224-L228 WeakPolarHBondContact O-CB 3.44Å; F224-L228 PolarHBondContact O-N 3.5Å; K226-L228 VanDerWaalsContact C-N 3.33Å; K226-L228 PolarHBondContact O-N 3.35Å; L228-E231 PolarHBondContact O-N 3.38Å; L228-E232 WeakPolarHBondContact O-CG 3.48Å; L228-E232 PolarHBondContact O-N 3.43Å |
| 229 | H | 95.8 | Very high | 94.3 | Very high | 104 Ų | 104 | 105 Ų | 105 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 177.6 | -171.4 | 58.6 | 0 | 0 | 0 | 112.6 | L225 K226 K227 E231 E232 M233 | L225-H229 WeakPolarHBondContact O-CB 3.5Å; L225-H229 PolarHBondContact O-N 3.07Å; K226-H229 PolarHBondContact O-N 3.2Å; K227-H229 VanDerWaalsContact C-N 3.32Å; K227-H229 PolarHBondContact O-N 2.85Å; H229-E231 VanDerWaalsContact C-N 3.32Å; H229-E231 PolarHBondContact O-N 2.98Å; H229-E232 PolarHBondContact O-N 2.95Å; H229-M233 WeakPolarHBondContact O-CB 3.4Å; H229-M233 WeakPolarHBondContact O-CG 3.45Å; H229-M233 PolarHBondContact O-N 2.86Å |
| 230 | D | 95.8 | Very high | 93.4 | Very high | 98 Ų | 98 | 103.1 Ų | 103.1 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 176 | -69.4 | -24.5 | 0 | 0 | 0 | 111.2 | K226 K227 M233 L234 | K226-D230 WeakPolarHBondContact O-CB 3.22Å; K226-D230 VanDerWaalsContact O-CG 3.26Å; K226-D230 PolarHBondContact O-N 2.88Å; K227-D230 PolarHBondContact O-N 3.45Å; D230-M233 PolarHBondContact O-N 3.25Å; D230-L234 WeakPolarHBondContact O-CB 3.37Å; D230-L234 VanDerWaalsContact O-CG 3.3Å; D230-L234 WeakPolarHBondContact O-CG 3.29Å; D230-L234 PolarHBondContact O-N 3.18Å |
| 231 | E | 95 | Very high | 92.4 | Very high | 116 Ų | 116 | 102.2 Ų | 102.2 | 54% | 0.542 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.4 | -48.1 | 174.2 | -74.6 | 171.3 | -171.3 | 0 | 0 | 111.8 | K227 L228 H229 M233 L234 E235 | K227-E231 WeakPolarHBondContact O-CB 3.44Å; K227-E231 WeakPolarHBondContact O-CG 3.47Å; K227-E231 PolarHBondContact O-N 3.08Å; L228-E231 PolarHBondContact O-N 3.38Å; H229-E231 VanDerWaalsContact C-N 3.32Å; H229-E231 PolarHBondContact O-N 2.98Å; E231-M233 VanDerWaalsContact C-N 3.31Å; E231-M233 PolarHBondContact O-N 2.88Å; E231-L234 PolarHBondContact O-N 3.42Å; E231-E235 WeakPolarHBondContact O-CG 3.39Å; E231-E235 PolarHBondContact O-N 2.89Å |
| 232 | E | 93.6 | Very high | 91.1 | Very high | 97 Ų | 97 | 103 Ų | 103 | 45% | 0.453 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.3 | -41.6 | 175.5 | -74.5 | 176.6 | 167.7 | 0 | 0 | 111.8 | L228 H229 E235 L236 | L228-E232 WeakPolarHBondContact O-CG 3.48Å; L228-E232 PolarHBondContact O-N 3.43Å; H229-E232 PolarHBondContact O-N 2.95Å; E232-E235 PolarHBondContact O-N 3.03Å; E232-L236 WeakPolarHBondContact O-CB 3.19Å; E232-L236 VanDerWaalsContact O-CG 3.3Å; E232-L236 WeakPolarHBondContact O-CG 3.41Å; E232-L236 PolarHBondContact O-N 3.4Å |
| 233 | M | 93.3 | Very high | 89.3 | Confident | 97 Ų | 97 | 106.3 Ų | 106.3 | 48% | 0.478 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 176.4 | -75.1 | -64.1 | -59.4 | 0 | 0 | 111.8 | H229 D230 E231 L236 Q237 | H229-M233 WeakPolarHBondContact O-CB 3.4Å; H229-M233 WeakPolarHBondContact O-CG 3.45Å; H229-M233 PolarHBondContact O-N 2.86Å; D230-M233 PolarHBondContact O-N 3.25Å; E231-M233 VanDerWaalsContact C-N 3.31Å; E231-M233 PolarHBondContact O-N 2.88Å; M233-L236 PolarHBondContact O-N 2.96Å; M233-Q237 VanDerWaalsContact O-CB 3.26Å; M233-Q237 WeakPolarHBondContact O-CB 3.22Å; M233-Q237 PolarHBondContact O-N 3.37Å |
| 234 | L | 94.3 | Very high | 87 | Confident | 98 Ų | 98 | 109.8 Ų | 109.8 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 174.3 | -77.7 | 170.2 | 0 | 0 | 0 | 111.7 | D230 E231 Q237 N238 | D230-L234 WeakPolarHBondContact O-CB 3.37Å; D230-L234 VanDerWaalsContact O-CG 3.3Å; D230-L234 WeakPolarHBondContact O-CG 3.29Å; D230-L234 PolarHBondContact O-N 3.18Å; E231-L234 PolarHBondContact O-N 3.42Å; L234-Q237 PolarHBondContact O-N 3.12Å; L234-N238 VanDerWaalsContact O-CB 3.29Å; L234-N238 WeakPolarHBondContact O-CB 3.32Å; L234-N238 PolarHBondContact O-N 2.91Å; L234-N238 PolarHBondContact O-ND2 3.29Å |
| 235 | E | 92.3 | Very high | 84.5 | Confident | 122 Ų | 122 | 111.6 Ų | 111.6 | 57% | 0.57 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.8 | -46.5 | 175 | -77.3 | -171.1 | 174.9 | 0 | 0 | 111.8 | E231 E232 Q237 N238 Q239 | E231-E235 WeakPolarHBondContact O-CG 3.39Å; E231-E235 PolarHBondContact O-N 2.89Å; E232-E235 PolarHBondContact O-N 3.03Å; E235-Q237 VanDerWaalsContact C-N 3.34Å; E235-Q237 PolarHBondContact O-N 2.9Å; E235-N238 CarbonylContact O-C 3.58Å; E235-N238 PolarHBondContact O-N 3.05Å; E235-Q239 WeakPolarHBondContact O-CB 3.21Å; E235-Q239 WeakPolarHBondContact O-CG 3.37Å; E235-Q239 PolarHBondContact O-N 3.38Å |
| 236 | L | 88.8 | Confident | 82 | Confident | 93 Ų | 93 | 113 Ų | 113 | 49% | 0.487 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 176.1 | -72 | 172.8 | 0 | 0 | 0 | 111.6 | E232 M233 Q239 I240 | E232-L236 WeakPolarHBondContact O-CB 3.19Å; E232-L236 VanDerWaalsContact O-CG 3.3Å; E232-L236 WeakPolarHBondContact O-CG 3.41Å; E232-L236 PolarHBondContact O-N 3.4Å; M233-L236 PolarHBondContact O-N 2.96Å; L236-Q239 PolarHBondContact O-N 3.12Å; L236-I240 VanDerWaalsContact O-CG1 3.29Å; L236-I240 WeakPolarHBondContact O-CG1 3.49Å; L236-I240 PolarHBondContact O-N 2.83Å |
| 237 | Q | 86.9 | Confident | 79 | Confident | 109 Ų | 109 | 115.2 Ų | 115.2 | 51% | 0.509 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.9 | -39.7 | 176.8 | -166.6 | 169.2 | 15.6 | 0 | 0 | 111.6 | M233 L234 E235 I240 Q241 | M233-Q237 VanDerWaalsContact O-CB 3.26Å; M233-Q237 WeakPolarHBondContact O-CB 3.22Å; M233-Q237 PolarHBondContact O-N 3.37Å; L234-Q237 PolarHBondContact O-N 3.12Å; E235-Q237 VanDerWaalsContact C-N 3.34Å; E235-Q237 PolarHBondContact O-N 2.9Å; Q237-I240 PolarHBondContact O-N 3.32Å; Q237-Q241 WeakPolarHBondContact O-CB 3.46Å; Q237-Q241 WeakPolarHBondContact O-CG 3.06Å; Q237-Q241 PolarHBondContact O-N 3.31Å |
| 238 | N | 87.2 | Confident | 76.2 | Confident | 77 Ų | 77 | 114.5 Ų | 114.5 | 41% | 0.412 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65 | -40.3 | 171.9 | -82.6 | -38.1 | 0 | 0 | 0 | 111.9 | L234 E235 I240 Q241 Q242 | L234-N238 VanDerWaalsContact O-CB 3.29Å; L234-N238 WeakPolarHBondContact O-CB 3.32Å; L234-N238 PolarHBondContact O-N 2.91Å; L234-N238 PolarHBondContact O-ND2 3.29Å; E235-N238 CarbonylContact O-C 3.58Å; E235-N238 PolarHBondContact O-N 3.05Å; N238-I240 VanDerWaalsContact C-N 3.33Å; N238-I240 PolarHBondContact O-N 3.24Å; N238-Q241 PolarHBondContact O-N 3.4Å; N238-Q242 VanDerWaalsContact O-CB 3.25Å; N238-Q242 WeakPolarHBondContact O-CB 3.41Å; N238-Q242 WeakPolarHBondContact O-CG 3.44Å; N238-Q242 PolarHBondContact O-N 3.33Å |
| 239 | Q | 82.9 | Confident | 73.1 | Confident | 98 Ų | 98 | 118.4 Ų | 118.4 | 46% | 0.458 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.8 | -40.6 | 174.8 | -76.1 | 176.5 | 16.7 | 0 | 0 | 111.3 | E235 L236 Q242 Q243 | E235-Q239 WeakPolarHBondContact O-CB 3.21Å; E235-Q239 WeakPolarHBondContact O-CG 3.37Å; E235-Q239 PolarHBondContact O-N 3.38Å; L236-Q239 PolarHBondContact O-N 3.12Å; Q239-Q242 PolarHBondContact O-N 3.34Å; Q239-Q243 WeakPolarHBondContact O-CB 3.48Å; Q239-Q243 WeakPolarHBondContact O-CG 3.42Å; Q239-Q243 PolarHBondContact O-N 2.95Å |
| 240 | I | 78.7 | Confident | 70.5 | Confident | 101 Ų | 101 | 121 Ų | 121 | 52% | 0.518 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.7 | -46.6 | 174.4 | -68.1 | 165.1 | 0 | 0 | 0 | 110.5 | L236 Q237 N238 Q243 Q244 | L236-I240 VanDerWaalsContact O-CG1 3.29Å; L236-I240 WeakPolarHBondContact O-CG1 3.49Å; L236-I240 PolarHBondContact O-N 2.83Å; Q237-I240 PolarHBondContact O-N 3.32Å; N238-I240 VanDerWaalsContact C-N 3.33Å; N238-I240 PolarHBondContact O-N 3.24Å; I240-Q243 PolarHBondContact O-N 3.37Å; I240-Q244 WeakPolarHBondContact O-CB 3.32Å; I240-Q244 PolarHBondContact O-N 2.86Å |
| 241 | Q | 76.4 | Confident | 67.6 | Low | 102 Ų | 102 | 125.5 Ų | 125.5 | 48% | 0.477 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.1 | -40 | 177.2 | -75.9 | -178.4 | 8.7 | 0 | 0 | 112.2 | Q237 N238 Q244 H245 | Q237-Q241 WeakPolarHBondContact O-CB 3.46Å; Q237-Q241 WeakPolarHBondContact O-CG 3.06Å; Q237-Q241 PolarHBondContact O-N 3.31Å; N238-Q241 PolarHBondContact O-N 3.4Å; Q241-Q244 CarbonylContact O-C 3.6Å; Q241-Q244 WeakPolarHBondContact O-CA 3.37Å; Q241-Q244 WeakPolarHBondContact O-CB 3.39Å; Q241-Q244 PolarHBondContact O-N 3.41Å; Q241-H245 VanDerWaalsContact O-CB 3.28Å; Q241-H245 WeakPolarHBondContact O-CB 3.39Å; Q241-H245 PolarHBondContact O-N 3.45Å |
| 242 | Q | 70.3 | Confident | 65 | Low | 123 Ų | 123 | 124.7 Ų | 124.7 | 58% | 0.575 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.9 | -41.1 | 174.9 | -74.4 | 172.8 | 14.3 | 0 | 0 | 111 | N238 Q239 Q244 H245 V246 | N238-Q242 VanDerWaalsContact O-CB 3.25Å; N238-Q242 WeakPolarHBondContact O-CB 3.41Å; N238-Q242 WeakPolarHBondContact O-CG 3.44Å; N238-Q242 PolarHBondContact O-N 3.33Å; Q239-Q242 PolarHBondContact O-N 3.34Å; Q242-Q244 PolarHBondContact O-N 3.33Å; Q242-H245 PolarHBondContact O-N 3.16Å; Q242-V246 WeakPolarHBondContact O-CG2 3.42Å; Q242-V246 PolarHBondContact O-N 2.93Å |
| 243 | Q | 58.9 | Low | 63.1 | Low | 162 Ų | 162 | 124.2 Ų | 124.2 | 76% | 0.757 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.8 | -24 | 170.7 | -74.2 | 175.6 | 0.2 | 0 | 0 | 112.5 | Q239 I240 | Q239-Q243 WeakPolarHBondContact O-CB 3.48Å; Q239-Q243 WeakPolarHBondContact O-CG 3.42Å; Q239-Q243 PolarHBondContact O-N 2.95Å; I240-Q243 PolarHBondContact O-N 3.37Å |
| 244 | Q | 50.5 | Low | 61.4 | Low | 158 Ų | 158 | 129.4 Ų | 129.4 | 74% | 0.738 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -92.8 | -19.6 | 178.1 | -148.9 | 173.2 | 14.8 | 0 | 0 | 114.1 | I240 Q241 Q242 | I240-Q244 WeakPolarHBondContact O-CB 3.32Å; I240-Q244 PolarHBondContact O-N 2.86Å; Q241-Q244 CarbonylContact O-C 3.6Å; Q241-Q244 WeakPolarHBondContact O-CA 3.37Å; Q241-Q244 WeakPolarHBondContact O-CB 3.39Å; Q241-Q244 PolarHBondContact O-N 3.41Å; Q242-Q244 PolarHBondContact O-N 3.33Å |
| 245 | H | 44.1 | Very low | 59.9 | Low | 167 Ų | 167 | 128.4 Ų | 128.4 | 77% | 0.773 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -112.1 | 10.3 | -175.3 | -138.5 | 40.2 | 0 | 0 | 0 | 114 | Q241 Q242 Q247 | Q241-H245 VanDerWaalsContact O-CB 3.28Å; Q241-H245 WeakPolarHBondContact O-CB 3.39Å; Q241-H245 PolarHBondContact O-N 3.45Å; Q242-H245 PolarHBondContact O-N 3.16Å; H245-Q247 PolarHBondContact O-N 3.18Å |
| 246 | V | 45 | Very low | 58.3 | Low | 126 Ų | 126 | 127 Ų | 127 | 76% | 0.764 | 65% | 0.652 | S | S | * | * | trans | -80.8 | 63.8 | 164.2 | 178.6 | 0 | 0 | 0 | 0 | 109.4 | Q242 | Q242-V246 WeakPolarHBondContact O-CG2 3.42Å; Q242-V246 PolarHBondContact O-N 2.93Å | ||
| 247 | Q | 34.7 | Very low | 57.2 | Low | 168 Ų | 168 | 128.3 Ų | 128.3 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | trans | -134.4 | 105.7 | 145.8 | -82 | -166.8 | -14.6 | 0 | 0 | 107 | H245 | H245-Q247 PolarHBondContact O-N 3.18Š| ||
| 248 | V | 37.7 | Very low | 56.6 | Low | 123 Ų | 123 | 127.3 Ų | 127.3 | 75% | 0.745 | 66% | 0.66 | S | S | * | * | trans | 60.8 | 115.5 | 139.3 | -170.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 249 | D | 32.8 | Very low | 56.1 | Low | 148 Ų | 148 | 125.3 Ų | 125.3 | 79% | 0.791 | 65% | 0.654 | S | S | * | * | -169.6 | 147.3 | 55.4 | -132.9 | -21.7 | 0 | 0 | 0 | 110.3 | |||||
| 250 | M | 41.2 | Very low | 55.9 | Low | 159 Ų | 159 | 122.6 Ų | 122.6 | 78% | 0.783 | 65% | 0.648 | S | S | * | * | trans | -110.2 | 95 | -174.4 | -179.6 | 160.9 | 59.8 | 0 | 0 | 108.6 | V252 | M250-V252 HydrophobicContact CG-CG2 3.65Å; M250-V252 PolarHBondContact O-N 2.9Å; M250-V252 HydrophobicContact SD-CG2 4.35Å | ||
| 251 | E | 34.3 | Very low | 56.1 | Low | 191 Ų | 191 | 123 Ų | 123 | 89% | 0.893 | 65% | 0.651 | S | S | * | * | trans | -93.6 | 84.8 | 169 | -75.8 | -154.8 | 158.2 | 0 | 0 | 110.8 | A253 | E251-A253 PolarHBondContact O-N 3.38Š| ||
| 252 | V | 40.2 | Very low | 56.6 | Low | 99 Ų | 99 | 125.1 Ų | 125.1 | 60% | 0.6 | 66% | 0.655 | S | S | * | * | trans | -79.4 | 95.5 | 169.2 | 174.9 | 0 | 0 | 0 | 0 | 108 | M250 K254 P255 | M250-V252 HydrophobicContact CG-CG2 3.65Å; M250-V252 PolarHBondContact O-N 2.9Å; M250-V252 HydrophobicContact SD-CG2 4.35Å; V252-K254 PolarHBondContact O-N 3.42Å; V252-P255 HydrophobicContact CG1-CG 4.42Å | ||
| 253 | A | 53.7 | Low | 57.4 | Low | 88 Ų | 88 | 123.5 Ų | 123.5 | 73% | 0.727 | 65% | 0.65 | S | S | * | * | trans | -58.9 | 120.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | E251 P255 | E251-A253 PolarHBondContact O-N 3.38Å; A253-P255 WeakPolarHBondContact O-CD 3.38Å | ||
| 254 | K | 59.1 | Low | 58.8 | Low | 205 Ų | 205 | 119.2 Ų | 119.2 | 89% | 0.891 | 64% | 0.635 | S | S | * | * | trans | -45.5 | 102 | -178.6 | -85.7 | -179.6 | 174.4 | 174.1 | 0 | 110.2 | V252 | V252-K254 PolarHBondContact O-N 3.42Š| ||
| 255 | P | 62.7 | Low | 60.6 | Low | 77 Ų | 77 | 120.4 Ų | 120.4 | 50% | 0.5 | 63% | 0.632 | S | S | . | * | trans | -73.4 | 146.2 | 170.2 | 2.8 | 16 | 0 | 0 | 0 | 105.5 | V252 A253 L257 | V252-P255 HydrophobicContact CG1-CG 4.42Å; A253-P255 WeakPolarHBondContact O-CD 3.38Å; P255-L257 PolarHBondContact O-N 2.94Å | ||
| 256 | D | 59.3 | Low | 62.9 | Low | 94 Ų | 94 | 116.8 Ų | 116.8 | 50% | 0.503 | 62% | 0.618 | S | S | . | * | trans | -59.9 | 95.3 | 166.9 | 175.4 | 12.8 | 0 | 0 | 0 | 107.7 | T258 A259 A260 | D256-T258 PolarHBondContact O-N 2.7Å; D256-T258 VanDerWaalsContact OD1-CB 3.31Å; D256-T258 WeakPolarHBondContact OD1-CB 3.49Å; D256-T258 PolarHBondContact OD1-N 2.88Å; D256-T258 PolarHBondContact OD1-OG1 2.9Å; D256-A259 HydrophobicContact CB-CB 3.97Å; D256-A259 WeakPolarHBondContact O-CA 2.88Å; D256-A259 PolarHBondContact O-N 3.31Å; D256-A259 VanDerWaalsContact OD2-CB 3.29Å; D256-A259 WeakPolarHBondContact OD2-CB 3.48Å; D256-A260 PolarHBondContact O-N 3.5Å | ||
| 257 | L | 64.6 | Low | 65.1 | Low | 119 Ų | 119 | 116.7 Ų | 116.7 | 62% | 0.623 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -56.2 | -27.9 | -175.2 | -163.2 | 77.4 | 0 | 0 | 0 | 110.1 | P255 L261 | P255-L257 PolarHBondContact O-N 2.94Å; L257-L261 HydrophobicContact CD2-CD1 4.32Å; L257-L261 HydrophobicContact CG-CD1 3.97Å; L257-L261 HydrophobicContact CG-CG 4.41Å; L257-L261 WeakPolarHBondContact O-CB 3.33Å; L257-L261 WeakPolarHBondContact O-CD1 3.31Å; L257-L261 WeakPolarHBondContact O-CG 3.44Å; L257-L261 PolarHBondContact O-N 3.28Å |
| 258 | T | 74.4 | Confident | 67.9 | Low | 89 Ų | 89 | 116.3 Ų | 116.3 | 55% | 0.546 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -73.6 | -38.1 | 177.1 | -41.8 | 0 | 0 | 0 | 0 | 111.9 | D256 R262 | D256-T258 PolarHBondContact O-N 2.7Å; D256-T258 VanDerWaalsContact OD1-CB 3.31Å; D256-T258 WeakPolarHBondContact OD1-CB 3.49Å; D256-T258 PolarHBondContact OD1-N 2.88Å; D256-T258 PolarHBondContact OD1-OG1 2.9Å; T258-R262 WeakPolarHBondContact O-CB 3.47Å; T258-R262 WeakPolarHBondContact O-CG 3.44Å; T258-R262 PolarHBondContact O-N 2.97Å; T258-R262 VanDerWaalsContact O-N 3.08Å; T258-R262 PolarHBondContact O-NE 3.43Å |
| 259 | A | 76.2 | Confident | 70.4 | Confident | 34 Ų | 34 | 115.9 Ų | 115.9 | 28% | 0.281 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -72.4 | -43.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | D256 R262 D263 | D256-A259 HydrophobicContact CB-CB 3.97Å; D256-A259 WeakPolarHBondContact O-CA 2.88Å; D256-A259 PolarHBondContact O-N 3.31Å; D256-A259 VanDerWaalsContact OD2-CB 3.29Å; D256-A259 WeakPolarHBondContact OD2-CB 3.48Å; A259-R262 PolarHBondContact O-N 3.27Å; A259-D263 WeakPolarHBondContact O-CB 3.48Å; A259-D263 PolarHBondContact O-N 3.26Å |
| 260 | A | 79.9 | Confident | 73.4 | Confident | 42 Ų | 42 | 113 Ų | 113 | 35% | 0.347 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.6 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | D256 D263 V264 | D256-A260 PolarHBondContact O-N 3.5Å; A260-D263 PolarHBondContact O-N 3.39Å; A260-V264 WeakPolarHBondContact O-CB 3.37Å; A260-V264 WeakPolarHBondContact O-CG2 3.32Å; A260-V264 PolarHBondContact O-N 2.88Å |
| 261 | L | 82.1 | Confident | 75.8 | Confident | 109 Ų | 109 | 110.5 Ų | 110.5 | 57% | 0.571 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.8 | -35.2 | 174.4 | -73.6 | 169.2 | 0 | 0 | 0 | 112.3 | L257 R265 | L257-L261 HydrophobicContact CD2-CD1 4.32Å; L257-L261 HydrophobicContact CG-CD1 3.97Å; L257-L261 HydrophobicContact CG-CG 4.41Å; L257-L261 WeakPolarHBondContact O-CB 3.33Å; L257-L261 WeakPolarHBondContact O-CD1 3.31Å; L257-L261 WeakPolarHBondContact O-CG 3.44Å; L257-L261 PolarHBondContact O-N 3.28Å; L261-R265 VanDerWaalsContact O-CB 3.26Å; L261-R265 WeakPolarHBondContact O-CB 3.49Å; L261-R265 PolarHBondContact O-N 3.49Å |
| 262 | R | 86.1 | Confident | 78.6 | Confident | 147 Ų | 147 | 103.9 Ų | 103.9 | 56% | 0.555 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65 | -42.9 | 171.6 | -91.9 | -175 | -74.7 | 101.8 | -1.1 | 112 | T258 A259 R265 L266 | T258-R262 WeakPolarHBondContact O-CB 3.47Å; T258-R262 WeakPolarHBondContact O-CG 3.44Å; T258-R262 PolarHBondContact O-N 2.97Å; T258-R262 VanDerWaalsContact O-N 3.08Å; T258-R262 PolarHBondContact O-NE 3.43Å; A259-R262 PolarHBondContact O-N 3.27Å; R262-R265 PolarHBondContact O-N 3.37Å; R262-L266 WeakPolarHBondContact O-CB 3.37Å; R262-L266 PolarHBondContact O-N 2.92Å |
| 263 | D | 87 | Confident | 81.2 | Confident | 88 Ų | 88 | 102.6 Ų | 102.6 | 47% | 0.471 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69 | -43.7 | -179.4 | -165.8 | 41.4 | 0 | 0 | 0 | 111.4 | A259 A260 R265 L266 Q267 | A259-D263 WeakPolarHBondContact O-CB 3.48Å; A259-D263 PolarHBondContact O-N 3.26Å; A260-D263 PolarHBondContact O-N 3.39Å; D263-R265 VanDerWaalsContact C-N 3.32Å; D263-R265 PolarHBondContact O-N 2.91Å; D263-L266 PolarHBondContact O-N 3.32Å; D263-Q267 WeakPolarHBondContact O-CB 3.41Å; D263-Q267 WeakPolarHBondContact O-CG 3.47Å; D263-Q267 PolarHBondContact O-N 3.46Å |
| 264 | V | 88.7 | Confident | 83.1 | Confident | 73 Ų | 73 | 104.7 Ų | 104.7 | 44% | 0.442 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 171.8 | 171 | 0 | 0 | 0 | 0 | 110.8 | A260 Q267 Y268 | A260-V264 WeakPolarHBondContact O-CB 3.37Å; A260-V264 WeakPolarHBondContact O-CG2 3.32Å; A260-V264 PolarHBondContact O-N 2.88Å; V264-Q267 PolarHBondContact O-N 3.29Å; V264-Y268 HydrophobicContact CG1-CD2 3.72Å; V264-Y268 HydrophobicContact CG1-CE2 3.64Å; V264-Y268 WeakPolarHBondContact O-CD2 3.48Å; V264-Y268 PolarHBondContact O-N 2.94Å |
| 265 | R | 89.3 | Confident | 84.8 | Confident | 182 Ų | 182 | 99.5 Ų | 99.5 | 69% | 0.687 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62 | -45 | 175.4 | -174.2 | 178.7 | 178 | 170.7 | 1.1 | 111.7 | L261 R262 D263 Q267 Y268 E269 | L261-R265 VanDerWaalsContact O-CB 3.26Å; L261-R265 WeakPolarHBondContact O-CB 3.49Å; L261-R265 PolarHBondContact O-N 3.49Å; R262-R265 PolarHBondContact O-N 3.37Å; D263-R265 VanDerWaalsContact C-N 3.32Å; D263-R265 PolarHBondContact O-N 2.91Å; R265-Q267 VanDerWaalsContact C-N 3.31Å; R265-Q267 PolarHBondContact O-N 3.11Å; R265-Y268 PolarHBondContact O-N 2.97Å; R265-E269 WeakPolarHBondContact O-CB 3.32Å; R265-E269 PolarHBondContact O-N 3.27Å |
| 266 | L | 92.6 | Very high | 86.4 | Confident | 92 Ų | 92 | 100.9 Ų | 100.9 | 48% | 0.482 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 177.5 | -163.5 | 85.2 | 0 | 0 | 0 | 111.4 | R262 D263 E269 N270 | R262-L266 WeakPolarHBondContact O-CB 3.37Å; R262-L266 PolarHBondContact O-N 2.92Å; D263-L266 PolarHBondContact O-N 3.32Å; L266-E269 PolarHBondContact O-N 2.99Å; L266-N270 VanDerWaalsContact O-CB 3.26Å; L266-N270 WeakPolarHBondContact O-CB 3.31Å; L266-N270 VanDerWaalsContact O-CG 3.22Å; L266-N270 PolarHBondContact O-N 3.19Å; L266-N270 PolarHBondContact O-ND2 3.36Å; L266-N270 VanDerWaalsContact O-ND2 3.13Å |
| 267 | Q | 90.6 | Very high | 88.1 | Confident | 124 Ų | 124 | 100.8 Ų | 100.8 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.5 | -45.8 | 174.9 | -69.4 | -119.5 | -2.9 | 0 | 0 | 111.5 | D263 V264 R265 N270 L271 | D263-Q267 WeakPolarHBondContact O-CB 3.41Å; D263-Q267 WeakPolarHBondContact O-CG 3.47Å; D263-Q267 PolarHBondContact O-N 3.46Å; V264-Q267 PolarHBondContact O-N 3.29Å; R265-Q267 VanDerWaalsContact C-N 3.31Å; R265-Q267 PolarHBondContact O-N 3.11Å; Q267-N270 PolarHBondContact O-N 2.81Å; Q267-L271 WeakPolarHBondContact O-CB 3.45Å; Q267-L271 PolarHBondContact O-N 2.9Å |
| 268 | Y | 92.4 | Very high | 89.5 | Confident | 160 Ų | 160 | 101.2 Ų | 101.2 | 63% | 0.627 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.6 | -39.2 | 175.6 | -84.8 | -68.7 | 0 | 0 | 0 | 112.6 | V264 R265 L271 A272 | V264-Y268 HydrophobicContact CG1-CD2 3.72Å; V264-Y268 HydrophobicContact CG1-CE2 3.64Å; V264-Y268 WeakPolarHBondContact O-CD2 3.48Å; V264-Y268 PolarHBondContact O-N 2.94Å; R265-Y268 PolarHBondContact O-N 2.97Å; Y268-L271 PolarHBondContact O-N 2.95Å; Y268-A272 VanDerWaalsContact O-CB 3.25Å; Y268-A272 WeakPolarHBondContact O-CB 3.22Å; Y268-A272 PolarHBondContact O-N 2.9Å |
| 269 | E | 92.2 | Very high | 90.4 | Very high | 113 Ų | 113 | 99.2 Ų | 99.2 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 177.4 | -160.6 | 165.7 | -155.4 | 0 | 0 | 110.6 | R265 L266 A272 S273 | R265-E269 WeakPolarHBondContact O-CB 3.32Å; R265-E269 PolarHBondContact O-N 3.27Å; L266-E269 PolarHBondContact O-N 2.99Å; E269-A272 PolarHBondContact O-N 3.46Å; E269-S273 WeakPolarHBondContact O-CB 3.42Å; E269-S273 PolarHBondContact O-N 2.92Å; E269-S273 PolarHBondContact O-OG 3.46Å; E269-S273 VanDerWaalsContact O-OG 3.11Å |
| 270 | N | 94.2 | Very high | 91.4 | Very high | 87 Ų | 87 | 101.9 Ų | 101.9 | 47% | 0.465 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 173.6 | -76.2 | -33.6 | 0 | 0 | 0 | 112.9 | L266 Q267 S273 K274 | L266-N270 VanDerWaalsContact O-CB 3.26Å; L266-N270 WeakPolarHBondContact O-CB 3.31Å; L266-N270 VanDerWaalsContact O-CG 3.22Å; L266-N270 PolarHBondContact O-N 3.19Å; L266-N270 PolarHBondContact O-ND2 3.36Å; L266-N270 VanDerWaalsContact O-ND2 3.13Å; Q267-N270 PolarHBondContact O-N 2.81Å; N270-S273 PolarHBondContact O-N 3.32Å; N270-K274 VanDerWaalsContact O-CB 3.31Å; N270-K274 WeakPolarHBondContact O-CB 3.48Å; N270-K274 WeakPolarHBondContact O-CG 3.35Å; N270-K274 PolarHBondContact O-N 2.68Å |
| 271 | L | 92.9 | Very high | 92.1 | Very high | 108 Ų | 108 | 103.3 Ų | 103.3 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.6 | -41.2 | 177.9 | -174 | 67.5 | 0 | 0 | 0 | 110.7 | Q267 Y268 K274 N275 | Q267-L271 WeakPolarHBondContact O-CB 3.45Å; Q267-L271 PolarHBondContact O-N 2.9Å; Y268-L271 PolarHBondContact O-N 2.95Å; L271-K274 PolarHBondContact O-N 3.18Å; L271-N275 VanDerWaalsContact O-CB 3.24Å; L271-N275 WeakPolarHBondContact O-CB 3.46Å; L271-N275 PolarHBondContact O-N 3.47Å |
| 272 | A | 92.3 | Very high | 92.8 | Very high | 51 Ų | 51 | 105 Ų | 105 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y268 E269 N275 I276 | Y268-A272 VanDerWaalsContact O-CB 3.25Å; Y268-A272 WeakPolarHBondContact O-CB 3.22Å; Y268-A272 PolarHBondContact O-N 2.9Å; E269-A272 PolarHBondContact O-N 3.46Å; A272-N275 PolarHBondContact O-N 3.04Å; A272-I276 WeakPolarHBondContact O-CG1 3.33Å; A272-I276 PolarHBondContact O-N 2.9Å |
| 273 | S | 94 | Very high | 93.3 | Very high | 72 Ų | 72 | 104.3 Ų | 104.3 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 175.1 | -64.5 | 0 | 0 | 0 | 0 | 112.4 | E269 N270 I276 Q277 | E269-S273 WeakPolarHBondContact O-CB 3.42Å; E269-S273 PolarHBondContact O-N 2.92Å; E269-S273 PolarHBondContact O-OG 3.46Å; E269-S273 VanDerWaalsContact O-OG 3.11Å; N270-S273 PolarHBondContact O-N 3.32Å; S273-I276 PolarHBondContact O-N 2.88Å; S273-Q277 WeakPolarHBondContact O-CB 3.35Å; S273-Q277 PolarHBondContact O-N 3.17Å |
| 274 | K | 95.4 | Very high | 93.8 | Very high | 133 Ų | 133 | 105.5 Ų | 105.5 | 58% | 0.578 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.4 | -45.5 | 175.1 | -81.5 | -176.3 | 176.6 | -176.3 | 0 | 112.1 | N270 L271 I276 Q277 E278 | N270-K274 VanDerWaalsContact O-CB 3.31Å; N270-K274 WeakPolarHBondContact O-CB 3.48Å; N270-K274 WeakPolarHBondContact O-CG 3.35Å; N270-K274 PolarHBondContact O-N 2.68Å; L271-K274 PolarHBondContact O-N 3.18Å; K274-I276 VanDerWaalsContact C-N 3.32Å; K274-I276 PolarHBondContact O-N 3.43Å; K274-Q277 PolarHBondContact O-N 2.72Å; K274-E278 VanDerWaalsContact O-CB 3.32Å; K274-E278 WeakPolarHBondContact O-CB 3.42Å; K274-E278 VanDerWaalsContact O-CG 3.28Å; K274-E278 WeakPolarHBondContact O-CG 3.3Å; K274-E278 PolarHBondContact O-N 3.2Å |
| 275 | N | 94.1 | Very high | 94.2 | Very high | 96 Ų | 96 | 105.1 Ų | 105.1 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 179.1 | -173.6 | -30.7 | 0 | 0 | 0 | 111.6 | L271 A272 S279 | L271-N275 VanDerWaalsContact O-CB 3.24Å; L271-N275 WeakPolarHBondContact O-CB 3.46Å; L271-N275 PolarHBondContact O-N 3.47Å; A272-N275 PolarHBondContact O-N 3.04Å; N275-S279 VanDerWaalsContact O-CB 3.25Å; N275-S279 WeakPolarHBondContact O-CB 3.47Å; N275-S279 PolarHBondContact O-N 2.87Å; N275-S279 PolarHBondContact O-OG 2.87Å; N275-S279 PolarHBondContact OD1-OG 2.93Å |
| 276 | I | 95.1 | Very high | 94.6 | Very high | 105 Ų | 105 | 101 Ų | 101 | 54% | 0.538 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.6 | -48.6 | 174.5 | -69.3 | 166.5 | 0 | 0 | 0 | 110.8 | A272 S273 K274 S279 E280 | A272-I276 WeakPolarHBondContact O-CG1 3.33Å; A272-I276 PolarHBondContact O-N 2.9Å; S273-I276 PolarHBondContact O-N 2.88Å; K274-I276 VanDerWaalsContact C-N 3.32Å; K274-I276 PolarHBondContact O-N 3.43Å; I276-S279 PolarHBondContact O-N 3.36Å; I276-E280 WeakPolarHBondContact O-CG 3.44Å; I276-E280 PolarHBondContact O-N 3.29Å |
| 277 | Q | 96 | Very high | 94.8 | Very high | 93 Ų | 93 | 103.2 Ų | 103.2 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 179.8 | -174.4 | 65 | 39.2 | 0 | 0 | 112.1 | S273 K274 S279 E280 D281 | S273-Q277 WeakPolarHBondContact O-CB 3.35Å; S273-Q277 PolarHBondContact O-N 3.17Å; K274-Q277 PolarHBondContact O-N 2.72Å; Q277-S279 VanDerWaalsContact C-N 3.32Å; Q277-S279 PolarHBondContact O-N 3.2Å; Q277-E280 PolarHBondContact O-N 2.93Å; Q277-D281 PolarHBondContact NE2-OD1 3.46Å; Q277-D281 PolarHBondContact NE2-OD2 3.22Å; Q277-D281 WeakPolarHBondContact O-CB 3.46Å; Q277-D281 VanDerWaalsContact O-CG 3.29Å; Q277-D281 PolarHBondContact O-N 3.45Å |
| 278 | E | 94.6 | Very high | 95.2 | Very high | 128 Ų | 128 | 100 Ų | 100 | 60% | 0.598 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.4 | -40.2 | 177.3 | -74.1 | 171.1 | -170.5 | 0 | 0 | 111.3 | K274 W282 | K274-E278 VanDerWaalsContact O-CB 3.32Å; K274-E278 WeakPolarHBondContact O-CB 3.42Å; K274-E278 VanDerWaalsContact O-CG 3.28Å; K274-E278 WeakPolarHBondContact O-CG 3.3Å; K274-E278 PolarHBondContact O-N 3.2Å; E278-W282 WeakPolarHBondContact O-CB 3.45Å; E278-W282 PolarHBondContact O-N 3.44Å |
| 279 | S | 93.2 | Very high | 95.4 | Very high | 47 Ų | 47 | 96.1 Ų | 96.1 | 33% | 0.329 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 174.2 | -64.1 | 0 | 0 | 0 | 0 | 111.5 | N275 I276 Q277 W282 Y283 | N275-S279 VanDerWaalsContact O-CB 3.25Å; N275-S279 WeakPolarHBondContact O-CB 3.47Å; N275-S279 PolarHBondContact O-N 2.87Å; N275-S279 PolarHBondContact O-OG 2.87Å; N275-S279 PolarHBondContact OD1-OG 2.93Å; I276-S279 PolarHBondContact O-N 3.36Å; Q277-S279 VanDerWaalsContact C-N 3.32Å; Q277-S279 PolarHBondContact O-N 3.2Å; S279-W282 PolarHBondContact O-N 2.89Å; S279-Y283 WeakPolarHBondContact O-CD2 3.12Å; S279-Y283 PolarHBondContact O-N 2.98Å |
| 280 | E | 95.7 | Very high | 95.6 | Very high | 89 Ų | 89 | 96.4 Ų | 96.4 | 42% | 0.416 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61 | -46.1 | 176.4 | -78 | -169.8 | -169.2 | 0 | 0 | 112.5 | I276 Q277 W282 Y283 K284 | I276-E280 WeakPolarHBondContact O-CG 3.44Å; I276-E280 PolarHBondContact O-N 3.29Å; Q277-E280 PolarHBondContact O-N 2.93Å; E280-W282 VanDerWaalsContact C-N 3.32Å; E280-Y283 PolarHBondContact O-N 3.46Å; E280-K284 WeakPolarHBondContact O-CB 3.47Å; E280-K284 VanDerWaalsContact O-CG 3.25Å; E280-K284 WeakPolarHBondContact O-CG 3.26Å; E280-K284 PolarHBondContact O-N 2.88Å; E280-K284 IonicContact OE2-NZ 3.38Å; E280-K284 PolarHBondContact OE2-NZ 3Å |
| 281 | D | 95.7 | Very high | 95.7 | Very high | 72 Ų | 72 | 96.7 Ų | 96.7 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.2 | -34.5 | -179.1 | -68.1 | -20.8 | 0 | 0 | 0 | 111 | Q277 K284 S285 | Q277-D281 PolarHBondContact NE2-OD1 3.46Å; Q277-D281 PolarHBondContact NE2-OD2 3.22Å; Q277-D281 WeakPolarHBondContact O-CB 3.46Å; Q277-D281 VanDerWaalsContact O-CG 3.29Å; Q277-D281 PolarHBondContact O-N 3.45Å; D281-K284 PolarHBondContact O-N 2.95Å; D281-K284 IonicContact OD1-NZ 3.41Å; D281-K284 PolarHBondContact OD1-NZ 2.85Å; D281-S285 VanDerWaalsContact O-CB 3.26Å; D281-S285 WeakPolarHBondContact O-CB 3.23Å; D281-S285 PolarHBondContact O-N 2.82Å |
| 282 | W | 96.5 | Very high | 96 | Very high | 144 Ų | 144 | 96.3 Ų | 96.3 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 170.2 | -175.2 | 88.9 | 0 | 0 | 0 | 111.8 | E278 S279 E280 S285 K286 | E278-W282 WeakPolarHBondContact O-CB 3.45Å; E278-W282 PolarHBondContact O-N 3.44Å; S279-W282 PolarHBondContact O-N 2.89Å; E280-W282 VanDerWaalsContact C-N 3.32Å; W282-S285 PolarHBondContact O-N 2.98Å; W282-K286 HydrophobicContact CD2-CG 4.2Å; W282-K286 HydrophobicContact CE3-CG 4.38Å; W282-K286 HydrophobicContact CH2-CG 4.21Å; W282-K286 HydrophobicContact CZ2-CG 4.01Å; W282-K286 HydrophobicContact CZ3-CG 4.38Å; W282-K286 WeakPolarHBondContact O-CB 3.42Å; W282-K286 WeakPolarHBondContact O-CG 3.47Å; W282-K286 PolarHBondContact O-N 3.39Å |
| 283 | Y | 97 | Very high | 96.2 | Very high | 134 Ų | 134 | 96.4 Ų | 96.4 | 53% | 0.525 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 176.2 | -77.6 | -62.6 | 0 | 0 | 0 | 111.6 | S279 E280 S285 K286 F287 | S279-Y283 WeakPolarHBondContact O-CD2 3.12Å; S279-Y283 PolarHBondContact O-N 2.98Å; E280-Y283 PolarHBondContact O-N 3.46Å; Y283-S285 VanDerWaalsContact C-N 3.32Å; Y283-S285 PolarHBondContact O-N 3.1Å; Y283-K286 PolarHBondContact O-N 3.45Å; Y283-F287 WeakPolarHBondContact O-CB 3.41Å; Y283-F287 WeakPolarHBondContact O-CD2 3.29Å; Y283-F287 PolarHBondContact O-N 3.37Å |
| 284 | K | 97.6 | Very high | 96.3 | Very high | 113 Ų | 113 | 95.3 Ų | 95.3 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58 | -45.2 | 177.2 | -73.5 | 167 | -164.8 | 153.3 | 0 | 111.3 | E280 D281 F287 A288 | E280-K284 WeakPolarHBondContact O-CB 3.47Å; E280-K284 VanDerWaalsContact O-CG 3.25Å; E280-K284 WeakPolarHBondContact O-CG 3.26Å; E280-K284 PolarHBondContact O-N 2.88Å; E280-K284 IonicContact OE2-NZ 3.38Å; E280-K284 PolarHBondContact OE2-NZ 3Å; D281-K284 PolarHBondContact O-N 2.95Å; D281-K284 IonicContact OD1-NZ 3.41Å; D281-K284 PolarHBondContact OD1-NZ 2.85Å; K284-F287 PolarHBondContact O-N 3.16Å; K284-A288 WeakPolarHBondContact O-CB 3.36Å; K284-A288 PolarHBondContact O-N 3.1Å |
| 285 | S | 97.3 | Very high | 96.4 | Very high | 65 Ų | 65 | 91.7 Ų | 91.7 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 176 | -171.7 | 0 | 0 | 0 | 0 | 111.4 | D281 W282 Y283 F287 A288 D289 | D281-S285 VanDerWaalsContact O-CB 3.26Å; D281-S285 WeakPolarHBondContact O-CB 3.23Å; D281-S285 PolarHBondContact O-N 2.82Å; W282-S285 PolarHBondContact O-N 2.98Å; Y283-S285 VanDerWaalsContact C-N 3.32Å; Y283-S285 PolarHBondContact O-N 3.1Å; S285-F287 PolarHBondContact O-N 3.31Å; S285-A288 WeakPolarHBondContact O-CB 3.41Å; S285-A288 PolarHBondContact O-N 3.15Å; S285-A288 VanDerWaalsContact O-N 3.13Å; S285-D289 PolarHBondContact O-N 3.19Å |
| 286 | K | 97.4 | Very high | 96.6 | Very high | 96 Ų | 96 | 94 Ų | 94 | 42% | 0.417 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.2 | -39.1 | 176.2 | -76.2 | -64 | 177.5 | -160.1 | 0 | 113.7 | W282 Y283 L290 | W282-K286 HydrophobicContact CD2-CG 4.2Å; W282-K286 HydrophobicContact CE3-CG 4.38Å; W282-K286 HydrophobicContact CH2-CG 4.21Å; W282-K286 HydrophobicContact CZ2-CG 4.01Å; W282-K286 HydrophobicContact CZ3-CG 4.38Å; W282-K286 WeakPolarHBondContact O-CB 3.42Å; W282-K286 WeakPolarHBondContact O-CG 3.47Å; W282-K286 PolarHBondContact O-N 3.39Å; Y283-K286 PolarHBondContact O-N 3.45Å; K286-L290 WeakPolarHBondContact O-CB 3.46Å; K286-L290 VanDerWaalsContact O-CG 3.32Å; K286-L290 WeakPolarHBondContact O-CG 3.35Å; K286-L290 PolarHBondContact O-N 3.35Å |
| 287 | F | 97.5 | Very high | 96.6 | Very high | 138 Ų | 138 | 94.3 Ų | 94.3 | 61% | 0.605 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.9 | -42.1 | 173.7 | -86.7 | -70.3 | 0 | 0 | 0 | 111.4 | Y283 K284 S285 L290 T291 | Y283-F287 WeakPolarHBondContact O-CB 3.41Å; Y283-F287 WeakPolarHBondContact O-CD2 3.29Å; Y283-F287 PolarHBondContact O-N 3.37Å; K284-F287 PolarHBondContact O-N 3.16Å; S285-F287 PolarHBondContact O-N 3.31Å; F287-L290 PolarHBondContact O-N 3.21Å; F287-T291 WeakPolarHBondContact O-CB 3.37Å; F287-T291 PolarHBondContact O-N 2.99Å; F287-T291 PolarHBondContact O-OG1 2.82Å |
| 288 | A | 97.5 | Very high | 96.7 | Very high | 56 Ų | 56 | 94.9 Ų | 94.9 | 46% | 0.463 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K284 S285 L290 T291 E292 | K284-A288 WeakPolarHBondContact O-CB 3.36Å; K284-A288 PolarHBondContact O-N 3.1Å; S285-A288 WeakPolarHBondContact O-CB 3.41Å; S285-A288 PolarHBondContact O-N 3.15Å; S285-A288 VanDerWaalsContact O-N 3.13Å; A288-L290 PolarHBondContact O-N 2.98Å; A288-T291 PolarHBondContact O-N 3.26Å; A288-E292 WeakPolarHBondContact O-CB 3.36Å; A288-E292 PolarHBondContact O-N 3.41Å |
| 289 | D | 96.9 | Very high | 96.8 | Very high | 78 Ų | 78 | 92.7 Ų | 92.7 | 42% | 0.417 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.4 | -48.1 | 176.8 | -72.8 | -12.6 | 0 | 0 | 0 | 111.8 | S285 E292 A293 | S285-D289 PolarHBondContact O-N 3.19Å; D289-E292 PolarHBondContact O-N 2.88Å; D289-A293 VanDerWaalsContact O-CB 3.28Å; D289-A293 WeakPolarHBondContact O-CB 3.43Å; D289-A293 PolarHBondContact O-N 3.29Å |
| 290 | L | 96.6 | Very high | 96.9 | Very high | 119 Ų | 119 | 93.2 Ų | 93.2 | 62% | 0.623 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64 | -40.9 | 177.8 | -74.1 | 173.4 | 0 | 0 | 0 | 111.8 | K286 F287 A288 A294 | K286-L290 WeakPolarHBondContact O-CB 3.46Å; K286-L290 VanDerWaalsContact O-CG 3.32Å; K286-L290 WeakPolarHBondContact O-CG 3.35Å; K286-L290 PolarHBondContact O-N 3.35Å; F287-L290 PolarHBondContact O-N 3.21Å; A288-L290 PolarHBondContact O-N 2.98Å; L290-A294 VanDerWaalsContact O-CB 3.31Å; L290-A294 WeakPolarHBondContact O-CB 3.09Å; L290-A294 PolarHBondContact O-N 3.45Å |
| 291 | T | 97.3 | Very high | 97 | Very high | 94 Ų | 94 | 93 Ų | 93 | 58% | 0.577 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.7 | -42.9 | 177.7 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | F287 A288 A294 A295 | F287-T291 WeakPolarHBondContact O-CB 3.37Å; F287-T291 PolarHBondContact O-N 2.99Å; F287-T291 PolarHBondContact O-OG1 2.82Å; A288-T291 PolarHBondContact O-N 3.26Å; T291-A294 PolarHBondContact O-N 3.45Å; T291-A295 WeakPolarHBondContact O-CB 3.45Å; T291-A295 PolarHBondContact O-N 3.23Å |
| 292 | E | 97.9 | Very high | 97.1 | Very high | 99 Ų | 99 | 95.1 Ų | 95.1 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.2 | -40.8 | 178.8 | -158.4 | -165.9 | -166 | 0 | 0 | 111.8 | A288 D289 A294 A295 R296 | A288-E292 WeakPolarHBondContact O-CB 3.36Å; A288-E292 PolarHBondContact O-N 3.41Å; D289-E292 PolarHBondContact O-N 2.88Å; E292-A294 VanDerWaalsContact C-N 3.35Å; E292-A294 PolarHBondContact O-N 2.88Å; E292-A295 PolarHBondContact O-N 2.97Å; E292-R296 VanDerWaalsContact CG-NH1 3.29Å; E292-R296 WeakPolarHBondContact O-CG 3.4Å; E292-R296 PolarHBondContact O-N 3.28Å; E292-R296 IonicContact OE1-CZ 3.62Å; E292-R296 IonicContact OE1-NH1 3.24Å; E292-R296 IonicContact OE1-NH2 2.99Å; E292-R296 PolarHBondContact OE1-NH2 3.27Å; E292-R296 IonicContact OE2-CZ 3.65Å; E292-R296 VanDerWaalsContact OE2-CZ 3.24Å; E292-R296 IonicContact OE2-NH1 3.48Å; E292-R296 PolarHBondContact OE2-NH1 2.96Å; E292-R296 IonicContact OE2-NH2 2.78Å; E292-R296 PolarHBondContact OE2-NH2 3.36Å |
| 293 | A | 96.4 | Very high | 97.1 | Very high | 53 Ų | 53 | 91.8 Ų | 91.8 | 44% | 0.438 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D289 R296 N297 | D289-A293 VanDerWaalsContact O-CB 3.28Å; D289-A293 WeakPolarHBondContact O-CB 3.43Å; D289-A293 PolarHBondContact O-N 3.29Å; A293-R296 PolarHBondContact O-N 3.15Å; A293-N297 WeakPolarHBondContact O-CB 3.12Å; A293-N297 PolarHBondContact O-N 2.98Å |
| 294 | A | 97.1 | Very high | 96.9 | Very high | 49 Ų | 49 | 87.8 Ų | 87.8 | 41% | 0.405 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | L290 T291 E292 N297 N298 | L290-A294 VanDerWaalsContact O-CB 3.31Å; L290-A294 WeakPolarHBondContact O-CB 3.09Å; L290-A294 PolarHBondContact O-N 3.45Å; T291-A294 PolarHBondContact O-N 3.45Å; E292-A294 VanDerWaalsContact C-N 3.35Å; E292-A294 PolarHBondContact O-N 2.88Å; A294-N297 PolarHBondContact O-N 3.45Å; A294-N298 WeakPolarHBondContact O-CB 3.25Å; A294-N298 PolarHBondContact O-N 2.95Å; A294-N298 PolarHBondContact O-ND2 3.42Å |
| 295 | A | 97.3 | Very high | 96.8 | Very high | 57 Ų | 57 | 88.5 Ų | 88.5 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T291 E292 N297 N298 E299 | T291-A295 WeakPolarHBondContact O-CB 3.45Å; T291-A295 PolarHBondContact O-N 3.23Å; E292-A295 PolarHBondContact O-N 2.97Å; A295-N297 PolarHBondContact O-N 3Å; A295-N298 PolarHBondContact O-N 3.42Å; A295-E299 PolarHBondContact O-N 3.38Å |
| 296 | R | 97.2 | Very high | 96.7 | Very high | 144 Ų | 144 | 89.8 Ų | 89.8 | 54% | 0.543 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 175.2 | -71.8 | -173.7 | -171.6 | 97.9 | -4.4 | 112.2 | E292 A293 E299 A300 | E292-R296 VanDerWaalsContact CG-NH1 3.29Å; E292-R296 WeakPolarHBondContact O-CG 3.4Å; E292-R296 PolarHBondContact O-N 3.28Å; E292-R296 IonicContact OE1-CZ 3.62Å; E292-R296 IonicContact OE1-NH1 3.24Å; E292-R296 IonicContact OE1-NH2 2.99Å; E292-R296 PolarHBondContact OE1-NH2 3.27Å; E292-R296 IonicContact OE2-CZ 3.65Å; E292-R296 VanDerWaalsContact OE2-CZ 3.24Å; E292-R296 IonicContact OE2-NH1 3.48Å; E292-R296 PolarHBondContact OE2-NH1 2.96Å; E292-R296 IonicContact OE2-NH2 2.78Å; E292-R296 PolarHBondContact OE2-NH2 3.36Å; A293-R296 PolarHBondContact O-N 3.15Å; R296-E299 PolarHBondContact O-N 3.08Å; R296-A300 WeakPolarHBondContact O-CB 3.36Å; R296-A300 PolarHBondContact O-N 3.37Å |
| 297 | N | 96.8 | Very high | 96.5 | Very high | 112 Ų | 112 | 90.4 Ų | 90.4 | 60% | 0.599 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.1 | -44.3 | 177.5 | -169.7 | -31.3 | 0 | 0 | 0 | 111.2 | A293 A294 A295 E299 A300 L301 | A293-N297 WeakPolarHBondContact O-CB 3.12Å; A293-N297 PolarHBondContact O-N 2.98Å; A294-N297 PolarHBondContact O-N 3.45Å; A295-N297 PolarHBondContact O-N 3Å; N297-E299 VanDerWaalsContact C-N 3.32Å; N297-E299 PolarHBondContact O-N 3.49Å; N297-A300 PolarHBondContact O-N 3.46Å; N297-L301 WeakPolarHBondContact O-CB 3.45Å; N297-L301 PolarHBondContact O-N 2.98Å |
| 298 | N | 97.3 | Very high | 96.3 | Very high | 106 Ų | 106 | 86.5 Ų | 86.5 | 57% | 0.567 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.2 | -41 | 175.2 | -85.6 | -76.8 | 0 | 0 | 0 | 112.5 | A294 A295 L301 R302 | A294-N298 WeakPolarHBondContact O-CB 3.25Å; A294-N298 PolarHBondContact O-N 2.95Å; A294-N298 PolarHBondContact O-ND2 3.42Å; A295-N298 PolarHBondContact O-N 3.42Å; N298-L301 PolarHBondContact O-N 3.33Å; N298-R302 WeakPolarHBondContact O-CB 3.39Å; N298-R302 PolarHBondContact O-N 3.19Å |
| 299 | E | 97.6 | Very high | 96.1 | Very high | 82 Ų | 82 | 87.6 Ų | 87.6 | 38% | 0.383 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.4 | -42.5 | 177 | -175.9 | 57.9 | -165.5 | 0 | 0 | 111.9 | A295 R296 N297 L301 R302 L303 | A295-E299 PolarHBondContact O-N 3.38Å; R296-E299 PolarHBondContact O-N 3.08Å; N297-E299 VanDerWaalsContact C-N 3.32Å; N297-E299 PolarHBondContact O-N 3.49Å; E299-L301 VanDerWaalsContact C-N 3.3Å; E299-L301 PolarHBondContact O-N 3.06Å; E299-R302 WeakPolarHBondContact O-CB 3.42Å; E299-R302 PolarHBondContact O-N 3.36Å; E299-R302 VanDerWaalsContact O-N 3.11Å; E299-R302 IonicContact OE1-CZ 3.58Å; E299-R302 IonicContact OE1-NE 3.61Å; E299-R302 PolarHBondContact OE1-NE 2.87Å; E299-R302 IonicContact OE1-NH2 3.99Å; E299-R302 PolarHBondContact OE1-NH2 3.33Å; E299-R302 IonicContact OE2-CZ 3.96Å; E299-R302 IonicContact OE2-NE 3.26Å; E299-R302 PolarHBondContact OE2-NE 2.9Å; E299-R302 IonicContact OE2-NH2 3.03Å; E299-L303 HydrophobicContact CG-CD1 4.42Å; E299-L303 WeakPolarHBondContact O-CG 3.49Å; E299-L303 PolarHBondContact O-N 3.46Å |
| 300 | A | 95.1 | Very high | 96 | Very high | 57 Ų | 57 | 87.6 Ų | 87.6 | 47% | 0.471 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.3 | -42.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R296 N297 R302 L303 A304 | R296-A300 WeakPolarHBondContact O-CB 3.36Å; R296-A300 PolarHBondContact O-N 3.37Å; N297-A300 PolarHBondContact O-N 3.46Å; A300-R302 VanDerWaalsContact C-N 3.34Å; A300-R302 PolarHBondContact O-N 2.87Å; A300-L303 PolarHBondContact O-N 2.86Å; A300-A304 WeakPolarHBondContact O-CB 3.42Å; A300-A304 PolarHBondContact O-N 3.47Å |
| 301 | L | 96.8 | Very high | 95.6 | Very high | 84 Ų | 84 | 88.9 Ų | 88.9 | 44% | 0.44 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.5 | -38 | 175 | -175.8 | 66 | 0 | 0 | 0 | 111.9 | N297 N298 E299 K305 | N297-L301 WeakPolarHBondContact O-CB 3.45Å; N297-L301 PolarHBondContact O-N 2.98Å; N298-L301 PolarHBondContact O-N 3.33Å; E299-L301 VanDerWaalsContact C-N 3.3Å; E299-L301 PolarHBondContact O-N 3.06Å; L301-K305 HydrophobicContact CG-CD 4.46Å; L301-K305 WeakPolarHBondContact O-CB 3.46Å; L301-K305 VanDerWaalsContact O-CG 3.29Å; L301-K305 WeakPolarHBondContact O-CG 3.48Å; L301-K305 PolarHBondContact O-N 3.23Å |
| 302 | R | 97.6 | Very high | 95.4 | Very high | 118 Ų | 118 | 91.3 Ų | 91.3 | 45% | 0.445 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | 176.5 | -167.6 | -169.4 | 71.9 | 73.8 | 1.9 | 111.1 | N298 E299 A300 K305 Q306 | N298-R302 WeakPolarHBondContact O-CB 3.39Å; N298-R302 PolarHBondContact O-N 3.19Å; E299-R302 WeakPolarHBondContact O-CB 3.42Å; E299-R302 PolarHBondContact O-N 3.36Å; E299-R302 VanDerWaalsContact O-N 3.11Å; E299-R302 IonicContact OE1-CZ 3.58Å; E299-R302 IonicContact OE1-NE 3.61Å; E299-R302 PolarHBondContact OE1-NE 2.87Å; E299-R302 IonicContact OE1-NH2 3.99Å; E299-R302 PolarHBondContact OE1-NH2 3.33Å; E299-R302 IonicContact OE2-CZ 3.96Å; E299-R302 IonicContact OE2-NE 3.26Å; E299-R302 PolarHBondContact OE2-NE 2.9Å; E299-R302 IonicContact OE2-NH2 3.03Å; A300-R302 VanDerWaalsContact C-N 3.34Å; A300-R302 PolarHBondContact O-N 2.87Å; R302-K305 PolarHBondContact O-N 3.41Å; R302-Q306 PolarHBondContact O-N 2.91Å |
| 303 | L | 96.8 | Very high | 95.1 | Very high | 73 Ų | 73 | 94.5 Ų | 94.5 | 38% | 0.382 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.9 | -48.4 | 176.9 | -69 | 174.5 | 0 | 0 | 0 | 111.3 | E299 A300 K305 Q306 E307 | E299-L303 HydrophobicContact CG-CD1 4.42Å; E299-L303 WeakPolarHBondContact O-CG 3.49Å; E299-L303 PolarHBondContact O-N 3.46Å; A300-L303 PolarHBondContact O-N 2.86Å; L303-K305 VanDerWaalsContact C-N 3.28Å; L303-K305 PolarHBondContact O-N 3.14Å; L303-Q306 WeakPolarHBondContact O-CA 3.34Å; L303-Q306 WeakPolarHBondContact O-CB 3.38Å; L303-Q306 PolarHBondContact O-N 3.49Å; L303-E307 WeakPolarHBondContact O-CG 3.35Å; L303-E307 PolarHBondContact O-N 2.9Å |
| 304 | A | 92.4 | Very high | 95 | Very high | 51 Ų | 51 | 97.5 Ų | 97.5 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.8 | -39.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A300 A308 | A300-A304 WeakPolarHBondContact O-CB 3.42Å; A300-A304 PolarHBondContact O-N 3.47Å; A304-A308 VanDerWaalsContact O-CB 3.32Å; A304-A308 WeakPolarHBondContact O-CB 3.39Å; A304-A308 PolarHBondContact O-N 2.94Å |
| 305 | K | 96.2 | Very high | 94.6 | Very high | 127 Ų | 127 | 99.4 Ų | 99.4 | 55% | 0.552 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.7 | -36.5 | 173.7 | -78.7 | 177.8 | 178 | 178.5 | 0 | 112.7 | L301 R302 L303 N309 | L301-K305 HydrophobicContact CG-CD 4.46Å; L301-K305 WeakPolarHBondContact O-CB 3.46Å; L301-K305 VanDerWaalsContact O-CG 3.29Å; L301-K305 WeakPolarHBondContact O-CG 3.48Å; L301-K305 PolarHBondContact O-N 3.23Å; R302-K305 PolarHBondContact O-N 3.41Å; L303-K305 VanDerWaalsContact C-N 3.28Å; L303-K305 PolarHBondContact O-N 3.14Å; K305-N309 PolarHBondContact O-N 3.12Å; K305-N309 VanDerWaalsContact O-N 3.12Å; K305-N309 PolarHBondContact O-ND2 3.43Å |
| 306 | Q | 95.8 | Very high | 94.3 | Very high | 92 Ų | 92 | 101.3 Ų | 101.3 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.9 | -49.2 | 176.7 | -177.1 | 174.1 | -14.3 | 0 | 0 | 110.3 | R302 L303 A308 N309 D310 | R302-Q306 PolarHBondContact O-N 2.91Å; L303-Q306 WeakPolarHBondContact O-CA 3.34Å; L303-Q306 WeakPolarHBondContact O-CB 3.38Å; L303-Q306 PolarHBondContact O-N 3.49Å; Q306-A308 VanDerWaalsContact C-N 3.35Å; Q306-A308 PolarHBondContact O-N 3.3Å; Q306-N309 WeakPolarHBondContact O-CA 3.33Å; Q306-N309 WeakPolarHBondContact O-CB 3.45Å; Q306-N309 PolarHBondContact O-N 2.97Å; Q306-D310 PolarHBondContact O-N 2.9Å |
| 307 | E | 93.1 | Very high | 93.9 | Very high | 109 Ų | 109 | 97.4 Ų | 97.4 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.5 | -45.7 | 175.6 | -70.1 | 174.9 | -176.6 | 0 | 0 | 111.7 | L303 N309 D310 Y311 | L303-E307 WeakPolarHBondContact O-CG 3.35Å; L303-E307 PolarHBondContact O-N 2.9Å; E307-N309 VanDerWaalsContact C-N 3.26Å; E307-N309 PolarHBondContact O-N 3.47Å; E307-D310 PolarHBondContact O-N 2.9Å; E307-D310 VanDerWaalsContact O-N 3.12Å; E307-Y311 HydrophobicContact CB-CD2 4.49Å; E307-Y311 HydrophobicContact CB-CE2 4.17Å; E307-Y311 WeakPolarHBondContact O-CD2 3.21Å; E307-Y311 PolarHBondContact O-N 3.5Å |
| 308 | A | 92.8 | Very high | 93.3 | Very high | 57 Ų | 57 | 96.5 Ų | 96.5 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.3 | -36.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A304 Q306 R312 | A304-A308 VanDerWaalsContact O-CB 3.32Å; A304-A308 WeakPolarHBondContact O-CB 3.39Å; A304-A308 PolarHBondContact O-N 2.94Å; Q306-A308 VanDerWaalsContact C-N 3.35Å; Q306-A308 PolarHBondContact O-N 3.3Å; A308-R312 WeakPolarHBondContact O-CB 3.46Å; A308-R312 PolarHBondContact O-N 3.47Å |
| 309 | N | 94.4 | Very high | 92.9 | Very high | 78 Ų | 78 | 94.7 Ų | 94.7 | 42% | 0.417 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.2 | -38 | 175 | -87.3 | -77.1 | 0 | 0 | 0 | 112.5 | K305 Q306 E307 R312 R313 | K305-N309 PolarHBondContact O-N 3.12Å; K305-N309 VanDerWaalsContact O-N 3.12Å; K305-N309 PolarHBondContact O-ND2 3.43Å; Q306-N309 WeakPolarHBondContact O-CA 3.33Å; Q306-N309 WeakPolarHBondContact O-CB 3.45Å; Q306-N309 PolarHBondContact O-N 2.97Å; E307-N309 VanDerWaalsContact C-N 3.26Å; E307-N309 PolarHBondContact O-N 3.47Å; N309-R312 PolarHBondContact O-N 3.21Å; N309-R313 WeakPolarHBondContact O-CG 3.49Å; N309-R313 PolarHBondContact O-N 3.03Å |
| 310 | D | 93.4 | Very high | 92.6 | Very high | 79 Ų | 79 | 95 Ų | 95 | 42% | 0.422 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 177.6 | -69.1 | -25.3 | 0 | 0 | 0 | 110.9 | Q306 E307 R312 R313 Q314 | Q306-D310 PolarHBondContact O-N 2.9Å; E307-D310 PolarHBondContact O-N 2.9Å; E307-D310 VanDerWaalsContact O-N 3.12Å; D310-R312 VanDerWaalsContact C-N 3.33Å; D310-R312 PolarHBondContact O-N 3.49Å; D310-R313 PolarHBondContact O-N 2.94Å; D310-Q314 PolarHBondContact O-N 3.36Å |
| 311 | Y | 89.2 | Confident | 92.4 | Very high | 145 Ų | 145 | 97.6 Ų | 97.6 | 57% | 0.569 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.8 | -42.1 | 171.1 | -69.3 | -54.7 | 0 | 0 | 0 | 111.9 | E307 R313 Q314 V315 | E307-Y311 HydrophobicContact CB-CD2 4.49Å; E307-Y311 HydrophobicContact CB-CE2 4.17Å; E307-Y311 WeakPolarHBondContact O-CD2 3.21Å; E307-Y311 PolarHBondContact O-N 3.5Å; Y311-R313 VanDerWaalsContact C-N 3.31Å; Y311-R313 PolarHBondContact O-N 2.88Å; Y311-Q314 PolarHBondContact O-N 2.89Å; Y311-V315 WeakPolarHBondContact O-CG2 3.27Å; Y311-V315 PolarHBondContact O-N 3.13Å |
| 312 | R | 91.7 | Very high | 91.8 | Very high | 146 Ų | 146 | 97 Ų | 97 | 55% | 0.551 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.1 | -39.6 | 176.3 | -165.1 | 179.1 | 81.5 | 108.6 | 0.9 | 112.2 | A308 N309 D310 Q316 | A308-R312 WeakPolarHBondContact O-CB 3.46Å; A308-R312 PolarHBondContact O-N 3.47Å; N309-R312 PolarHBondContact O-N 3.21Å; D310-R312 VanDerWaalsContact C-N 3.33Å; D310-R312 PolarHBondContact O-N 3.49Å; R312-Q316 WeakPolarHBondContact O-CG 3.38Å; R312-Q316 PolarHBondContact O-N 2.88Å; R312-Q316 VanDerWaalsContact O-N 3.11Å |
| 313 | R | 93.2 | Very high | 91.4 | Very high | 166 Ų | 166 | 95.6 Ų | 95.6 | 63% | 0.626 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.9 | -41.5 | 175.6 | -72.8 | 173.6 | 179.5 | -166.9 | 0.7 | 111.8 | N309 D310 Y311 Q316 A317 | N309-R313 WeakPolarHBondContact O-CG 3.49Å; N309-R313 PolarHBondContact O-N 3.03Å; D310-R313 PolarHBondContact O-N 2.94Å; Y311-R313 VanDerWaalsContact C-N 3.31Å; Y311-R313 PolarHBondContact O-N 2.88Å; R313-Q316 PolarHBondContact O-N 3.42Å; R313-A317 WeakPolarHBondContact O-CB 3.42Å; R313-A317 PolarHBondContact O-N 3.39Å |
| 314 | Q | 93.4 | Very high | 90.9 | Very high | 116 Ų | 116 | 95 Ų | 95 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 176.8 | -172.9 | 177.4 | 35 | 0 | 0 | 111.4 | D310 Y311 Q316 A317 L318 | D310-Q314 PolarHBondContact O-N 3.36Å; Y311-Q314 PolarHBondContact O-N 2.89Å; Q314-Q316 VanDerWaalsContact C-N 3.35Å; Q314-Q316 PolarHBondContact O-N 2.9Å; Q314-A317 PolarHBondContact O-N 2.87Å; Q314-L318 HydrophobicContact CG-CD1 4.14Å; Q314-L318 WeakPolarHBondContact O-CB 3.4Å; Q314-L318 WeakPolarHBondContact O-CG 3.44Å; Q314-L318 PolarHBondContact O-N 2.86Å |
| 315 | V | 89.6 | Confident | 90.3 | Very high | 88 Ų | 88 | 97.5 Ų | 97.5 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.2 | -47.7 | 174.5 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | Y311 A317 L318 T319 | Y311-V315 WeakPolarHBondContact O-CG2 3.27Å; Y311-V315 PolarHBondContact O-N 3.13Å; V315-A317 PolarHBondContact O-N 2.68Å; V315-L318 PolarHBondContact O-N 3.14Å; V315-T319 WeakPolarHBondContact O-CB 3.36Å; V315-T319 PolarHBondContact O-N 3.49Å; V315-T319 PolarHBondContact O-OG1 3.4Å |
| 316 | Q | 91.1 | Very high | 89.8 | Confident | 98 Ų | 98 | 97 Ų | 97 | 46% | 0.458 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 177.3 | -74.1 | 177.3 | -5.4 | 0 | 0 | 112.7 | R312 R313 Q314 T319 C320 | R312-Q316 WeakPolarHBondContact O-CG 3.38Å; R312-Q316 PolarHBondContact O-N 2.88Å; R312-Q316 VanDerWaalsContact O-N 3.11Å; R313-Q316 PolarHBondContact O-N 3.42Å; Q314-Q316 VanDerWaalsContact C-N 3.35Å; Q314-Q316 PolarHBondContact O-N 2.9Å; Q316-T319 PolarHBondContact O-N 3.43Å; Q316-C320 PolarHBondContact O-N 3.16Å; Q316-C320 PolarHBondContact O-SG 2.96Å; Q316-C320 VanDerWaalsContact O-SG 3.32Å |
| 317 | A | 88.2 | Confident | 89.4 | Confident | 62 Ų | 62 | 94.4 Ų | 94.4 | 51% | 0.512 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R313 Q314 V315 T319 C320 E321 | R313-A317 WeakPolarHBondContact O-CB 3.42Å; R313-A317 PolarHBondContact O-N 3.39Å; Q314-A317 PolarHBondContact O-N 2.87Å; V315-A317 PolarHBondContact O-N 2.68Å; A317-T319 PolarHBondContact O-N 3.04Å; A317-C320 PolarHBondContact O-N 3.49Å; A317-E321 PolarHBondContact O-N 3.34Å |
| 318 | L | 84.1 | Confident | 89 | Confident | 92 Ų | 92 | 92.9 Ų | 92.9 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 176.5 | -72.2 | 172.3 | 0 | 0 | 0 | 111.8 | Q314 V315 C320 E321 V322 | Q314-L318 HydrophobicContact CG-CD1 4.14Å; Q314-L318 WeakPolarHBondContact O-CB 3.4Å; Q314-L318 WeakPolarHBondContact O-CG 3.44Å; Q314-L318 PolarHBondContact O-N 2.86Å; V315-L318 PolarHBondContact O-N 3.14Å; L318-C320 PolarHBondContact O-N 3.49Å; L318-E321 PolarHBondContact O-N 2.85Å; L318-V322 VanDerWaalsContact O-CG2 3.32Å; L318-V322 WeakPolarHBondContact O-CG2 3.49Å; L318-V322 PolarHBondContact O-N 3.4Å |
| 319 | T | 88.1 | Confident | 88.3 | Confident | 69 Ų | 69 | 94.4 Ų | 94.4 | 42% | 0.423 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 174.5 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | V315 Q316 A317 E321 V322 D323 | V315-T319 WeakPolarHBondContact O-CB 3.36Å; V315-T319 PolarHBondContact O-N 3.49Å; V315-T319 PolarHBondContact O-OG1 3.4Å; Q316-T319 PolarHBondContact O-N 3.43Å; A317-T319 PolarHBondContact O-N 3.04Å; T319-E321 VanDerWaalsContact C-N 3.33Å; T319-E321 PolarHBondContact O-N 3.42Å; T319-V322 PolarHBondContact O-N 2.89Å; T319-D323 PolarHBondContact O-N 3.39Å |
| 320 | C | 91.1 | Very high | 88.1 | Confident | 87 Ų | 87 | 95.9 Ų | 95.9 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.1 | -38.4 | 176.7 | -69.6 | 0 | 0 | 0 | 0 | 112.6 | Q316 A317 L318 D323 A324 | Q316-C320 PolarHBondContact O-N 3.16Å; Q316-C320 PolarHBondContact O-SG 2.96Å; Q316-C320 VanDerWaalsContact O-SG 3.32Å; A317-C320 PolarHBondContact O-N 3.49Å; L318-C320 PolarHBondContact O-N 3.49Å; C320-D323 PolarHBondContact O-N 3.27Å; C320-A324 WeakPolarHBondContact O-CB 3.5Å; C320-A324 PolarHBondContact O-N 2.91Å |
| 321 | E | 91.6 | Very high | 87.9 | Confident | 113 Ų | 113 | 94.4 Ų | 94.4 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 175.4 | -175 | 174.6 | -174.1 | 0 | 0 | 111.5 | A317 L318 T319 D323 A324 L325 | A317-E321 PolarHBondContact O-N 3.34Å; L318-E321 PolarHBondContact O-N 2.85Å; T319-E321 VanDerWaalsContact C-N 3.33Å; T319-E321 PolarHBondContact O-N 3.42Å; E321-D323 VanDerWaalsContact C-N 3.35Å; E321-D323 PolarHBondContact O-N 2.92Å; E321-A324 PolarHBondContact O-N 3.01Å; E321-L325 HydrophobicContact CG-CD1 4.26Å; E321-L325 WeakPolarHBondContact O-CB 3.38Å; E321-L325 WeakPolarHBondContact O-CG 3.26Å; E321-L325 PolarHBondContact O-N 2.78Å |
| 322 | V | 84.2 | Confident | 87.6 | Confident | 70 Ų | 70 | 92.5 Ų | 92.5 | 42% | 0.424 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 174.8 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | L318 T319 L325 K326 | L318-V322 VanDerWaalsContact O-CG2 3.32Å; L318-V322 WeakPolarHBondContact O-CG2 3.49Å; L318-V322 PolarHBondContact O-N 3.4Å; T319-V322 PolarHBondContact O-N 2.89Å; V322-L325 PolarHBondContact O-N 3.41Å; V322-K326 HydrophobicContact CG1-CD 4.14Å; V322-K326 WeakPolarHBondContact O-CB 3.39Å; V322-K326 VanDerWaalsContact O-CG 3.3Å; V322-K326 WeakPolarHBondContact O-CG 3.31Å; V322-K326 PolarHBondContact O-N 3.22Å |
| 323 | D | 89.4 | Confident | 87.3 | Confident | 90 Ų | 90 | 89.1 Ų | 89.1 | 48% | 0.481 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.9 | -36.4 | 179.7 | -69.3 | -22.2 | 0 | 0 | 0 | 112 | T319 C320 E321 K326 G327 | T319-D323 PolarHBondContact O-N 3.39Å; C320-D323 PolarHBondContact O-N 3.27Å; E321-D323 VanDerWaalsContact C-N 3.35Å; E321-D323 PolarHBondContact O-N 2.92Å; D323-K326 IonicContact OD1-NZ 2.59Å; D323-G327 PolarHBondContact O-N 2.88Å |
| 324 | A | 86 | Confident | 87.2 | Confident | 60 Ų | 60 | 86.6 Ų | 86.6 | 50% | 0.496 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.6 | -46.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | C320 E321 G327 T328 | C320-A324 WeakPolarHBondContact O-CB 3.5Å; C320-A324 PolarHBondContact O-N 2.91Å; E321-A324 PolarHBondContact O-N 3.01Å; A324-G327 PolarHBondContact O-N 3.16Å; A324-T328 WeakPolarHBondContact O-CG2 3.33Å; A324-T328 PolarHBondContact O-N 3.03Å |
| 325 | L | 79.6 | Confident | 87.1 | Confident | 104 Ų | 104 | 85.8 Ų | 85.8 | 55% | 0.545 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 177.5 | -72.5 | 174.7 | 0 | 0 | 0 | 111.7 | E321 V322 G327 T328 N329 | E321-L325 HydrophobicContact CG-CD1 4.26Å; E321-L325 WeakPolarHBondContact O-CB 3.38Å; E321-L325 WeakPolarHBondContact O-CG 3.26Å; E321-L325 PolarHBondContact O-N 2.78Å; V322-L325 PolarHBondContact O-N 3.41Å; L325-G327 VanDerWaalsContact C-N 3.34Å; L325-G327 PolarHBondContact O-N 3.38Å; L325-T328 WeakPolarHBondContact CA-OG1 3.39Å; L325-T328 PolarHBondContact O-N 2.88Å; L325-T328 PolarHBondContact O-OG1 3.04Å; L325-N329 WeakPolarHBondContact O-CB 3.32Å; L325-N329 PolarHBondContact O-N 2.9Å |
| 326 | K | 86.7 | Confident | 86.9 | Confident | 116 Ų | 116 | 86.1 Ų | 86.1 | 50% | 0.504 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -56.6 | -47.1 | 171.9 | -76 | 173.1 | -178.8 | 170.9 | 0 | 111.6 | V322 D323 T328 N329 E330 | V322-K326 HydrophobicContact CG1-CD 4.14Å; V322-K326 WeakPolarHBondContact O-CB 3.39Å; V322-K326 VanDerWaalsContact O-CG 3.3Å; V322-K326 WeakPolarHBondContact O-CG 3.31Å; V322-K326 PolarHBondContact O-N 3.22Å; D323-K326 IonicContact OD1-NZ 2.59Å; K326-T328 VanDerWaalsContact C-N 3.33Å; K326-T328 PolarHBondContact O-N 2.91Å; K326-N329 PolarHBondContact O-N 3.44Å; K326-N329 VanDerWaalsContact O-N 3.17Å; K326-E330 WeakPolarHBondContact O-CG 3.36Å; K326-E330 PolarHBondContact O-N 3.3Å |
| 327 | G | 85.7 | Confident | 86.9 | Confident | 37 Ų | 37 | 87.3 Ų | 87.3 | 38% | 0.381 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.5 | -40 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D323 A324 L325 S331 | D323-G327 PolarHBondContact O-N 2.88Å; A324-G327 PolarHBondContact O-N 3.16Å; L325-G327 VanDerWaalsContact C-N 3.34Å; L325-G327 PolarHBondContact O-N 3.38Å; G327-S331 PolarHBondContact O-N 2.88Å; G327-S331 VanDerWaalsContact O-N 3.08Å |
| 328 | T | 85.9 | Confident | 87.2 | Confident | 78 Ų | 78 | 89.1 Ų | 89.1 | 48% | 0.479 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 174.3 | 60.5 | 0 | 0 | 0 | 0 | 112.3 | A324 L325 K326 S331 L332 | A324-T328 WeakPolarHBondContact O-CG2 3.33Å; A324-T328 PolarHBondContact O-N 3.03Å; L325-T328 WeakPolarHBondContact CA-OG1 3.39Å; L325-T328 PolarHBondContact O-N 2.88Å; L325-T328 PolarHBondContact O-OG1 3.04Å; K326-T328 VanDerWaalsContact C-N 3.33Å; K326-T328 PolarHBondContact O-N 2.91Å; T328-S331 WeakPolarHBondContact O-CB 3.29Å; T328-S331 PolarHBondContact O-N 3.19Å; T328-L332 WeakPolarHBondContact O-CG 3.41Å; T328-L332 PolarHBondContact O-N 3.4Å |
| 329 | N | 77.8 | Confident | 87.4 | Confident | 88 Ų | 88 | 89.9 Ų | 89.9 | 47% | 0.471 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.6 | -47.3 | 178.4 | -164.9 | 18 | 0 | 0 | 0 | 111.1 | L325 K326 S331 L332 E333 | L325-N329 WeakPolarHBondContact O-CB 3.32Å; L325-N329 PolarHBondContact O-N 2.9Å; K326-N329 PolarHBondContact O-N 3.44Å; K326-N329 VanDerWaalsContact O-N 3.17Å; N329-S331 PolarHBondContact O-N 3.38Å; N329-L332 PolarHBondContact O-N 2.79Å; N329-L332 VanDerWaalsContact O-N 3.1Å; N329-E333 WeakPolarHBondContact O-CG 3.43Å; N329-E333 PolarHBondContact O-N 2.88Å |
| 330 | E | 89.6 | Confident | 87.5 | Confident | 109 Ų | 109 | 92.1 Ų | 92.1 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.2 | -34.5 | 174.2 | -73.2 | 179.1 | -168.8 | 0 | 0 | 112.7 | K326 R334 | K326-E330 WeakPolarHBondContact O-CG 3.36Å; K326-E330 PolarHBondContact O-N 3.3Å; E330-R334 WeakPolarHBondContact O-CB 3.39Å; E330-R334 PolarHBondContact O-N 2.89Å; E330-R334 VanDerWaalsContact O-N 3.15Å; E330-R334 PolarHBondContact O-NH1 3.41Å |
| 331 | S | 88.9 | Confident | 87.7 | Confident | 49 Ų | 49 | 94.1 Ų | 94.1 | 34% | 0.343 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.9 | -47 | 174.2 | -174.2 | 0 | 0 | 0 | 0 | 112 | G327 T328 N329 R334 Q335 | G327-S331 PolarHBondContact O-N 2.88Å; G327-S331 VanDerWaalsContact O-N 3.08Å; T328-S331 WeakPolarHBondContact O-CB 3.29Å; T328-S331 PolarHBondContact O-N 3.19Å; N329-S331 PolarHBondContact O-N 3.38Å; S331-R334 PolarHBondContact O-N 3.42Å; S331-Q335 WeakPolarHBondContact O-CG 3.49Å; S331-Q335 PolarHBondContact O-N 2.82Å; S331-Q335 PolarHBondContact OG-NE2 2.97Å |
| 332 | L | 83.4 | Confident | 87.8 | Confident | 105 Ų | 105 | 93 Ų | 93 | 55% | 0.55 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 178.7 | -70.9 | 173.2 | 0 | 0 | 0 | 111.9 | T328 N329 R334 Q335 M336 | T328-L332 WeakPolarHBondContact O-CG 3.41Å; T328-L332 PolarHBondContact O-N 3.4Å; N329-L332 PolarHBondContact O-N 2.79Å; N329-L332 VanDerWaalsContact O-N 3.1Å; L332-R334 VanDerWaalsContact C-N 3.28Å; L332-R334 PolarHBondContact O-N 3.36Å; L332-Q335 PolarHBondContact O-N 3.5Å; L332-M336 WeakPolarHBondContact O-CB 3.44Å; L332-M336 PolarHBondContact O-N 3.02Å |
| 333 | E | 86.5 | Confident | 88.2 | Confident | 75 Ų | 75 | 95.9 Ų | 95.9 | 35% | 0.35 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.5 | -38.6 | 174.8 | -73.2 | -178.8 | -174.9 | 0 | 0 | 112.2 | N329 M336 R337 | N329-E333 WeakPolarHBondContact O-CG 3.43Å; N329-E333 PolarHBondContact O-N 2.88Å; E333-M336 PolarHBondContact O-N 3.42Å; E333-R337 WeakPolarHBondContact O-CG 3.43Å; E333-R337 PolarHBondContact O-N 3.41Å; E333-R337 IonicContact OE2-NH1 3.54Å |
| 334 | R | 90.9 | Very high | 88.4 | Confident | 112 Ų | 112 | 93.6 Ų | 93.6 | 42% | 0.423 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.7 | -44.4 | 175.8 | -172.3 | -175.2 | -63.7 | 86 | 1.8 | 111.4 | E330 S331 L332 M336 R337 E338 | E330-R334 WeakPolarHBondContact O-CB 3.39Å; E330-R334 PolarHBondContact O-N 2.89Å; E330-R334 VanDerWaalsContact O-N 3.15Å; E330-R334 PolarHBondContact O-NH1 3.41Å; S331-R334 PolarHBondContact O-N 3.42Å; L332-R334 VanDerWaalsContact C-N 3.28Å; L332-R334 PolarHBondContact O-N 3.36Å; R334-M336 VanDerWaalsContact C-N 3.29Å; R334-M336 PolarHBondContact O-N 3.44Å; R334-R337 PolarHBondContact O-N 3.49Å; R334-E338 WeakPolarHBondContact CG-OE1 3.46Å; R334-E338 WeakPolarHBondContact O-CG 3.35Å; R334-E338 PolarHBondContact O-N 2.98Å |
| 335 | Q | 89.8 | Confident | 88.9 | Confident | 99 Ų | 99 | 95.9 Ų | 95.9 | 46% | 0.463 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 175.1 | -72.4 | 175.2 | 52.3 | 0 | 0 | 111.8 | S331 L332 E338 M339 | S331-Q335 WeakPolarHBondContact O-CG 3.49Å; S331-Q335 PolarHBondContact O-N 2.82Å; S331-Q335 PolarHBondContact OG-NE2 2.97Å; L332-Q335 PolarHBondContact O-N 3.5Å; Q335-E338 PolarHBondContact O-N 3.33Å; Q335-M339 WeakPolarHBondContact O-CG 3.28Å; Q335-M339 PolarHBondContact O-N 3.31Å |
| 336 | M | 86.1 | Confident | 89.7 | Confident | 95 Ų | 95 | 95.7 Ų | 95.7 | 47% | 0.468 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63 | -48 | 175.9 | -171.8 | 175 | 69.2 | 0 | 0 | 111.4 | L332 E333 R334 E338 M339 E340 | L332-M336 WeakPolarHBondContact O-CB 3.44Å; L332-M336 PolarHBondContact O-N 3.02Å; E333-M336 PolarHBondContact O-N 3.42Å; R334-M336 VanDerWaalsContact C-N 3.29Å; R334-M336 PolarHBondContact O-N 3.44Å; M336-E338 PolarHBondContact O-N 3.36Å; M336-M339 PolarHBondContact O-N 2.92Å; M336-E340 WeakPolarHBondContact O-CG 3.48Å; M336-E340 PolarHBondContact O-N 3.37Å |
| 337 | R | 91.5 | Very high | 90 | Very high | 123 Ų | 123 | 95.3 Ų | 95.3 | 46% | 0.464 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 175.5 | -74.4 | -174.2 | -68 | -100.7 | -1.8 | 112.5 | E333 R334 M339 E340 E341 | E333-R337 WeakPolarHBondContact O-CG 3.43Å; E333-R337 PolarHBondContact O-N 3.41Å; E333-R337 IonicContact OE2-NH1 3.54Å; R334-R337 PolarHBondContact O-N 3.49Å; R337-M339 VanDerWaalsContact C-N 3.34Å; R337-M339 PolarHBondContact O-N 3.02Å; R337-E340 PolarHBondContact O-N 3.06Å; R337-E341 WeakPolarHBondContact O-CB 3.34Å; R337-E341 PolarHBondContact O-N 3.45Å |
| 338 | E | 95.1 | Very high | 90.5 | Very high | 101 Ų | 101 | 96.4 Ų | 96.4 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 176.5 | -74.2 | 171.7 | -164.4 | 0 | 0 | 111.7 | R334 Q335 M336 N342 | R334-E338 WeakPolarHBondContact CG-OE1 3.46Å; R334-E338 WeakPolarHBondContact O-CG 3.35Å; R334-E338 PolarHBondContact O-N 2.98Å; Q335-E338 PolarHBondContact O-N 3.33Å; M336-E338 PolarHBondContact O-N 3.36Å; E338-N342 WeakPolarHBondContact O-CB 3.38Å; E338-N342 PolarHBondContact O-N 2.97Å; E338-N342 PolarHBondContact O-ND2 2.96Å; E338-N342 VanDerWaalsContact O-ND2 3.12Å |
| 339 | M | 88.4 | Confident | 91.1 | Very high | 108 Ų | 108 | 94.1 Ų | 94.1 | 53% | 0.532 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.3 | -44.4 | 174.1 | -73.8 | -165.7 | -59.4 | 0 | 0 | 112.2 | Q335 M336 R337 E341 N342 F343 | Q335-M339 WeakPolarHBondContact O-CG 3.28Å; Q335-M339 PolarHBondContact O-N 3.31Å; M336-M339 PolarHBondContact O-N 2.92Å; R337-M339 VanDerWaalsContact C-N 3.34Å; R337-M339 PolarHBondContact O-N 3.02Å; M339-E341 VanDerWaalsContact C-N 3.33Å; M339-E341 PolarHBondContact O-N 3.25Å; M339-N342 PolarHBondContact O-N 3.34Å; M339-F343 HydrophobicContact CB-CE2 4.39Å; M339-F343 WeakPolarHBondContact O-CD2 3.42Å; M339-F343 PolarHBondContact O-N 3.22Å |
| 340 | E | 90.3 | Very high | 92 | Very high | 115 Ų | 115 | 97 Ų | 97 | 54% | 0.537 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 175.9 | -72.8 | 170.8 | 168.3 | 0 | 0 | 111.7 | M336 R337 F343 G344 | M336-E340 WeakPolarHBondContact O-CG 3.48Å; M336-E340 PolarHBondContact O-N 3.37Å; R337-E340 PolarHBondContact O-N 3.06Å; E340-F343 PolarHBondContact O-N 3.31Å; E340-G344 PolarHBondContact O-N 3.35Å |
| 341 | E | 93.8 | Very high | 92.3 | Very high | 129 Ų | 129 | 96.8 Ų | 96.8 | 60% | 0.603 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.4 | -46.5 | 175.3 | -174 | 178.5 | 176.9 | 0 | 0 | 111.4 | R337 M339 F343 G344 L345 | R337-E341 WeakPolarHBondContact O-CB 3.34Å; R337-E341 PolarHBondContact O-N 3.45Å; M339-E341 VanDerWaalsContact C-N 3.33Å; M339-E341 PolarHBondContact O-N 3.25Å; E341-F343 PolarHBondContact O-N 2.9Å; E341-G344 WeakPolarHBondContact O-CA 3.48Å; E341-G344 PolarHBondContact O-N 2.92Å; E341-G344 VanDerWaalsContact O-N 3.14Å; E341-L345 WeakPolarHBondContact O-CG 3.36Å; E341-L345 PolarHBondContact O-N 2.98Å |
| 342 | N | 95.4 | Very high | 92.8 | Very high | 90 Ų | 90 | 99.3 Ų | 99.3 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 177.3 | -73 | -28 | 0 | 0 | 0 | 111.9 | E338 M339 G344 L345 E346 | E338-N342 WeakPolarHBondContact O-CB 3.38Å; E338-N342 PolarHBondContact O-N 2.97Å; E338-N342 PolarHBondContact O-ND2 2.96Å; E338-N342 VanDerWaalsContact O-ND2 3.12Å; M339-N342 PolarHBondContact O-N 3.34Å; N342-G344 VanDerWaalsContact C-N 3.31Å; N342-G344 PolarHBondContact O-N 3.3Å; N342-L345 PolarHBondContact O-N 3.43Å; N342-E346 WeakPolarHBondContact O-CG 3.01Å; N342-E346 PolarHBondContact O-N 2.9Å |
| 343 | F | 92.5 | Very high | 93.5 | Very high | 131 Ų | 131 | 98 Ų | 98 | 58% | 0.575 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.6 | -36.5 | 174.8 | -74.8 | -54.3 | 0 | 0 | 0 | 112.1 | M339 E340 E341 L345 E346 N347 | M339-F343 HydrophobicContact CB-CE2 4.39Å; M339-F343 WeakPolarHBondContact O-CD2 3.42Å; M339-F343 PolarHBondContact O-N 3.22Å; E340-F343 PolarHBondContact O-N 3.31Å; E341-F343 PolarHBondContact O-N 2.9Å; F343-L345 VanDerWaalsContact C-N 3.34Å; F343-E346 PolarHBondContact O-N 3.49Å; F343-N347 VanDerWaalsContact O-CB 3.25Å; F343-N347 WeakPolarHBondContact O-CB 3.42Å; F343-N347 PolarHBondContact O-N 3.37Å |
| 344 | G | 92.9 | Very high | 94 | Very high | 42 Ų | 42 | 97.9 Ų | 97.9 | 43% | 0.433 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E340 E341 N342 S348 | E340-G344 PolarHBondContact O-N 3.35Å; E341-G344 WeakPolarHBondContact O-CA 3.48Å; E341-G344 PolarHBondContact O-N 2.92Å; E341-G344 VanDerWaalsContact O-N 3.14Å; N342-G344 VanDerWaalsContact C-N 3.31Å; N342-G344 PolarHBondContact O-N 3.3Å; G344-S348 WeakPolarHBondContact O-CB 3.46Å; G344-S348 PolarHBondContact O-N 3.16Å |
| 345 | L | 95.6 | Very high | 94.4 | Very high | 107 Ų | 107 | 94.8 Ų | 94.8 | 56% | 0.56 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.7 | -44.7 | 176.1 | -69.2 | 173 | 0 | 0 | 0 | 112.2 | E341 N342 F343 S348 G349 | E341-L345 WeakPolarHBondContact O-CG 3.36Å; E341-L345 PolarHBondContact O-N 2.98Å; N342-L345 PolarHBondContact O-N 3.43Å; F343-L345 VanDerWaalsContact C-N 3.34Å; L345-S348 PolarHBondContact O-N 3.4Å; L345-G349 PolarHBondContact O-N 2.92Å |
| 346 | E | 96.4 | Very high | 94.8 | Very high | 100 Ų | 100 | 98.7 Ų | 98.7 | 47% | 0.467 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 176.2 | -73.3 | 179.9 | 179.9 | 0 | 0 | 111.5 | N342 F343 S348 G349 Y350 | N342-E346 WeakPolarHBondContact O-CG 3.01Å; N342-E346 PolarHBondContact O-N 2.9Å; F343-E346 PolarHBondContact O-N 3.49Å; E346-S348 PolarHBondContact O-N 3.47Å; E346-G349 WeakPolarHBondContact O-CA 3.37Å; E346-G349 PolarHBondContact O-N 3.12Å; E346-G349 VanDerWaalsContact O-N 3.14Å; E346-Y350 HydrophobicContact CB-CE2 4.23Å; E346-Y350 WeakPolarHBondContact O-CD2 3.46Å; E346-Y350 PolarHBondContact O-N 3.45Å |
| 347 | N | 93.7 | Very high | 95.4 | Very high | 108 Ų | 108 | 99 Ų | 99 | 58% | 0.578 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.3 | -41.5 | 177.2 | -171.3 | 67.1 | 0 | 0 | 0 | 112 | F343 G349 Y350 Q351 | F343-N347 VanDerWaalsContact O-CB 3.25Å; F343-N347 WeakPolarHBondContact O-CB 3.42Å; F343-N347 PolarHBondContact O-N 3.37Å; N347-G349 VanDerWaalsContact C-N 3.32Å; N347-G349 PolarHBondContact O-N 3.32Å; N347-Y350 PolarHBondContact O-N 3.49Å; N347-Q351 WeakPolarHBondContact O-CB 3.43Å; N347-Q351 PolarHBondContact O-N 2.89Å |
| 348 | S | 96.8 | Very high | 95.7 | Very high | 60 Ų | 60 | 98.8 Ų | 98.8 | 42% | 0.42 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 171.7 | -170 | 0 | 0 | 0 | 0 | 111.2 | G344 L345 E346 Y350 Q351 D352 | G344-S348 WeakPolarHBondContact O-CB 3.46Å; G344-S348 PolarHBondContact O-N 3.16Å; L345-S348 PolarHBondContact O-N 3.4Å; E346-S348 PolarHBondContact O-N 3.47Å; S348-Y350 PolarHBondContact O-N 2.9Å; S348-Q351 PolarHBondContact O-N 3.37Å; S348-D352 VanDerWaalsContact O-CG 3.31Å; S348-D352 PolarHBondContact O-N 2.92Å |
| 349 | G | 98.1 | Very high | 95.8 | Very high | 31 Ų | 31 | 97.9 Ų | 97.9 | 32% | 0.32 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L345 E346 N347 D352 T353 | L345-G349 PolarHBondContact O-N 2.92Å; E346-G349 WeakPolarHBondContact O-CA 3.37Å; E346-G349 PolarHBondContact O-N 3.12Å; E346-G349 VanDerWaalsContact O-N 3.14Å; N347-G349 VanDerWaalsContact C-N 3.32Å; N347-G349 PolarHBondContact O-N 3.32Å; G349-D352 PolarHBondContact O-N 3.46Å; G349-T353 WeakPolarHBondContact O-CG2 3.45Å; G349-T353 PolarHBondContact O-N 3.12Å |
| 350 | Y | 95.9 | Very high | 96.3 | Very high | 147 Ų | 147 | 96.1 Ų | 96.1 | 58% | 0.576 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.7 | -43 | 173.9 | -66 | -50.5 | 0 | 0 | 0 | 111.6 | E346 N347 S348 D352 T353 I354 | E346-Y350 HydrophobicContact CB-CE2 4.23Å; E346-Y350 WeakPolarHBondContact O-CD2 3.46Å; E346-Y350 PolarHBondContact O-N 3.45Å; N347-Y350 PolarHBondContact O-N 3.49Å; S348-Y350 PolarHBondContact O-N 2.9Å; Y350-D352 VanDerWaalsContact C-N 3.33Å; Y350-D352 PolarHBondContact O-N 3.32Å; Y350-T353 WeakPolarHBondContact CA-OG1 3.43Å; Y350-T353 PolarHBondContact O-N 2.86Å; Y350-T353 VanDerWaalsContact O-N 3.16Å; Y350-T353 PolarHBondContact O-OG1 3.45Å; Y350-I354 WeakPolarHBondContact O-CG1 3.44Å; Y350-I354 PolarHBondContact O-N 3.19Å |
| 351 | Q | 97.4 | Very high | 96.7 | Very high | 105 Ų | 105 | 95.1 Ų | 95.1 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 177.5 | -168.5 | 64.2 | 7.7 | 0 | 0 | 112.5 | N347 S348 I354 S355 | N347-Q351 WeakPolarHBondContact O-CB 3.43Å; N347-Q351 PolarHBondContact O-N 2.89Å; S348-Q351 PolarHBondContact O-N 3.37Å; Q351-I354 PolarHBondContact O-N 2.89Å; Q351-S355 WeakPolarHBondContact O-CB 3.44Å; Q351-S355 PolarHBondContact O-N 3.3Å; Q351-S355 PolarHBondContact O-OG 3.42Å |
| 352 | D | 98.2 | Very high | 96.9 | Very high | 103 Ų | 103 | 94.2 Ų | 94.2 | 55% | 0.551 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.5 | -41.2 | 174.3 | -71.6 | -19.7 | 0 | 0 | 0 | 111.3 | S348 G349 Y350 S355 R356 | S348-D352 VanDerWaalsContact O-CG 3.31Å; S348-D352 PolarHBondContact O-N 2.92Å; G349-D352 PolarHBondContact O-N 3.46Å; Y350-D352 VanDerWaalsContact C-N 3.33Å; Y350-D352 PolarHBondContact O-N 3.32Å; D352-S355 PolarHBondContact O-N 2.91Å; D352-R356 WeakPolarHBondContact O-CB 3.33Å; D352-R356 PolarHBondContact O-N 3.11Å |
| 353 | T | 98.4 | Very high | 97 | Very high | 76 Ų | 76 | 93.4 Ų | 93.4 | 47% | 0.466 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 176.2 | 61 | 0 | 0 | 0 | 0 | 112.4 | G349 Y350 R356 L357 | G349-T353 WeakPolarHBondContact O-CG2 3.45Å; G349-T353 PolarHBondContact O-N 3.12Å; Y350-T353 WeakPolarHBondContact CA-OG1 3.43Å; Y350-T353 PolarHBondContact O-N 2.86Å; Y350-T353 VanDerWaalsContact O-N 3.16Å; Y350-T353 PolarHBondContact O-OG1 3.45Å; T353-R356 PolarHBondContact O-N 3.44Å; T353-L357 VanDerWaalsContact O-CG 3.31Å; T353-L357 WeakPolarHBondContact O-CG 3.31Å; T353-L357 PolarHBondContact O-N 2.96Å |
| 354 | I | 97.8 | Very high | 97.3 | Very high | 73 Ų | 73 | 93 Ų | 93 | 37% | 0.374 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -50.9 | 174.2 | -69.5 | 167 | 0 | 0 | 0 | 109.4 | Y350 Q351 R356 L357 E358 | Y350-I354 WeakPolarHBondContact O-CG1 3.44Å; Y350-I354 PolarHBondContact O-N 3.19Å; Q351-I354 PolarHBondContact O-N 2.89Å; I354-R356 VanDerWaalsContact C-N 3.27Å; I354-R356 PolarHBondContact O-N 3.47Å; I354-L357 PolarHBondContact O-N 3.46Å; I354-E358 HydrophobicContact CG2-CG 4.25Å; I354-E358 WeakPolarHBondContact O-CG 3.43Å; I354-E358 PolarHBondContact O-N 2.86Å |
| 355 | S | 98.2 | Very high | 97.5 | Very high | 48 Ų | 48 | 96.9 Ų | 96.9 | 34% | 0.336 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.1 | -41.5 | 179.8 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | Q351 D352 E358 V359 | Q351-S355 WeakPolarHBondContact O-CB 3.44Å; Q351-S355 PolarHBondContact O-N 3.3Å; Q351-S355 PolarHBondContact O-OG 3.42Å; D352-S355 PolarHBondContact O-N 2.91Å; S355-E358 PolarHBondContact O-N 3.45Å; S355-V359 WeakPolarHBondContact O-CG2 3.38Å; S355-V359 PolarHBondContact O-N 3.35Å |
| 356 | R | 98.5 | Very high | 97.6 | Very high | 180 Ų | 180 | 95.6 Ų | 95.6 | 68% | 0.679 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.3 | -46.7 | 174.9 | -178.9 | -179.2 | 175 | 149.3 | 2 | 112 | D352 T353 I354 E358 V359 D360 | D352-R356 WeakPolarHBondContact O-CB 3.33Å; D352-R356 PolarHBondContact O-N 3.11Å; T353-R356 PolarHBondContact O-N 3.44Å; I354-R356 VanDerWaalsContact C-N 3.27Å; I354-R356 PolarHBondContact O-N 3.47Å; R356-E358 VanDerWaalsContact C-N 3.32Å; R356-E358 PolarHBondContact O-N 2.97Å; R356-V359 PolarHBondContact O-N 3.36Å; R356-D360 PolarHBondContact O-N 3.22Å |
| 357 | L | 98 | Very high | 97.7 | Very high | 103 Ų | 103 | 94.4 Ų | 94.4 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 178.9 | -71.5 | 171.6 | 0 | 0 | 0 | 111.9 | T353 I354 D360 I361 | T353-L357 VanDerWaalsContact O-CG 3.31Å; T353-L357 WeakPolarHBondContact O-CG 3.31Å; T353-L357 PolarHBondContact O-N 2.96Å; I354-L357 PolarHBondContact O-N 3.46Å; L357-D360 PolarHBondContact O-N 2.97Å; L357-I361 VanDerWaalsContact O-CG1 3.27Å; L357-I361 WeakPolarHBondContact O-CG1 3.43Å; L357-I361 PolarHBondContact O-N 2.72Å |
| 358 | E | 98 | Very high | 97.9 | Very high | 118 Ų | 118 | 94.8 Ų | 94.8 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.5 | -43.1 | 174.3 | -72.5 | 178 | 157.8 | 0 | 0 | 111.9 | I354 S355 R356 I361 H362 | I354-E358 HydrophobicContact CG2-CG 4.25Å; I354-E358 WeakPolarHBondContact O-CG 3.43Å; I354-E358 PolarHBondContact O-N 2.86Å; S355-E358 PolarHBondContact O-N 3.45Å; R356-E358 VanDerWaalsContact C-N 3.32Å; R356-E358 PolarHBondContact O-N 2.97Å; E358-I361 PolarHBondContact O-N 3.03Å; E358-H362 WeakPolarHBondContact O-CB 3.27Å; E358-H362 PolarHBondContact O-N 2.99Å |
| 359 | V | 98.4 | Very high | 98 | Very high | 81 Ų | 81 | 94 Ų | 94 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 174 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | S355 R356 I361 H362 N363 | S355-V359 WeakPolarHBondContact O-CG2 3.38Å; S355-V359 PolarHBondContact O-N 3.35Å; R356-V359 PolarHBondContact O-N 3.36Å; V359-I361 VanDerWaalsContact C-N 3.33Å; V359-I361 PolarHBondContact O-N 3.05Å; V359-H362 WeakPolarHBondContact O-CB 3.5Å; V359-H362 PolarHBondContact O-N 3.21Å; V359-N363 VanDerWaalsContact O-CG 3.24Å; V359-N363 PolarHBondContact O-N 3.3Å; V359-N363 PolarHBondContact O-ND2 3.41Å |
| 360 | D | 98.3 | Very high | 98 | Very high | 72 Ų | 72 | 96.1 Ų | 96.1 | 39% | 0.385 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 177.3 | -73.4 | -19.5 | 0 | 0 | 0 | 111.4 | R356 L357 H362 N363 M364 | R356-D360 PolarHBondContact O-N 3.22Å; L357-D360 PolarHBondContact O-N 2.97Å; D360-H362 PolarHBondContact O-N 2.95Å; D360-N363 PolarHBondContact O-N 3.03Å; D360-M364 VanDerWaalsContact O-CG 3.29Å; D360-M364 WeakPolarHBondContact O-CG 3.26Å; D360-M364 PolarHBondContact O-N 2.68Å |
| 361 | I | 98.1 | Very high | 98.1 | Very high | 94 Ų | 94 | 92.8 Ų | 92.8 | 48% | 0.482 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 174.2 | -71.2 | 166 | 0 | 0 | 0 | 111.1 | L357 E358 V359 M364 K365 | L357-I361 VanDerWaalsContact O-CG1 3.27Å; L357-I361 WeakPolarHBondContact O-CG1 3.43Å; L357-I361 PolarHBondContact O-N 2.72Å; E358-I361 PolarHBondContact O-N 3.03Å; V359-I361 VanDerWaalsContact C-N 3.33Å; V359-I361 PolarHBondContact O-N 3.05Å; I361-M364 PolarHBondContact O-N 3.3Å; I361-K365 HydrophobicContact CG2-CD 4.21Å; I361-K365 WeakPolarHBondContact O-CG 3.34Å; I361-K365 PolarHBondContact O-N 3.5Å |
| 362 | H | 98.3 | Very high | 98.1 | Very high | 109 Ų | 109 | 93.2 Ų | 93.2 | 51% | 0.505 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 177.9 | -173.9 | 63 | 0 | 0 | 0 | 111.2 | E358 V359 D360 M364 K365 D366 | E358-H362 WeakPolarHBondContact O-CB 3.27Å; E358-H362 PolarHBondContact O-N 2.99Å; V359-H362 WeakPolarHBondContact O-CB 3.5Å; V359-H362 PolarHBondContact O-N 3.21Å; D360-H362 PolarHBondContact O-N 2.95Å; H362-M364 VanDerWaalsContact C-N 3.34Å; H362-M364 PolarHBondContact O-N 3.3Å; H362-K365 WeakPolarHBondContact O-CB 3.05Å; H362-K365 PolarHBondContact O-N 2.98Å; H362-K365 VanDerWaalsContact O-N 3.12Å; H362-D366 IonicContact CD2-OD2 2.79Å; H362-D366 IonicContact CE1-OD1 3.67Å; H362-D366 IonicContact NE2-OD2 3.73Å; H362-D366 PolarHBondContact O-N 3.35Å |
| 363 | N | 98.3 | Very high | 98.1 | Very high | 73 Ų | 73 | 95.9 Ų | 95.9 | 39% | 0.39 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.9 | -44.4 | 176.7 | -69.4 | -24.8 | 0 | 0 | 0 | 111.9 | V359 D360 K365 D366 E367 | V359-N363 VanDerWaalsContact O-CG 3.24Å; V359-N363 PolarHBondContact O-N 3.3Å; V359-N363 PolarHBondContact O-ND2 3.41Å; D360-N363 PolarHBondContact O-N 3.03Å; N363-K365 VanDerWaalsContact C-N 3.34Å; N363-K365 PolarHBondContact O-N 2.89Å; N363-D366 PolarHBondContact O-N 2.8Å; N363-E367 WeakPolarHBondContact O-CB 3.37Å; N363-E367 PolarHBondContact O-N 3.46Å |
| 364 | M | 97.5 | Very high | 98.1 | Very high | 123 Ų | 123 | 96.9 Ų | 96.9 | 61% | 0.606 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.6 | -35.5 | 177.5 | -68.5 | -60.7 | 109 | 0 | 0 | 112.6 | D360 I361 H362 E367 M368 | D360-M364 VanDerWaalsContact O-CG 3.29Å; D360-M364 WeakPolarHBondContact O-CG 3.26Å; D360-M364 PolarHBondContact O-N 2.68Å; I361-M364 PolarHBondContact O-N 3.3Å; H362-M364 VanDerWaalsContact C-N 3.34Å; H362-M364 PolarHBondContact O-N 3.3Å; M364-E367 PolarHBondContact O-N 3.22Å; M364-M368 WeakPolarHBondContact O-CB 3.48Å; M364-M368 PolarHBondContact O-N 2.9Å |
| 365 | K | 98.2 | Very high | 98.1 | Very high | 123 Ų | 123 | 101.3 Ų | 101.3 | 54% | 0.535 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 174.1 | -75.5 | 174.3 | 179 | 176.6 | 0 | 111.5 | I361 H362 N363 M368 A369 | I361-K365 HydrophobicContact CG2-CD 4.21Å; I361-K365 WeakPolarHBondContact O-CG 3.34Å; I361-K365 PolarHBondContact O-N 3.5Å; H362-K365 WeakPolarHBondContact O-CB 3.05Å; H362-K365 PolarHBondContact O-N 2.98Å; H362-K365 VanDerWaalsContact O-N 3.12Å; N363-K365 VanDerWaalsContact C-N 3.34Å; N363-K365 PolarHBondContact O-N 2.89Å; K365-M368 PolarHBondContact O-N 3.17Å; K365-A369 WeakPolarHBondContact O-CB 3.48Å; K365-A369 PolarHBondContact O-N 2.86Å |
| 366 | D | 98.2 | Very high | 98 | Very high | 81 Ų | 81 | 103.7 Ų | 103.7 | 43% | 0.433 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 176.8 | -76.3 | -5.2 | 0 | 0 | 0 | 112 | H362 N363 A369 R370 | H362-D366 IonicContact CD2-OD2 2.79Å; H362-D366 IonicContact CE1-OD1 3.67Å; H362-D366 IonicContact NE2-OD2 3.73Å; H362-D366 PolarHBondContact O-N 3.35Å; N363-D366 PolarHBondContact O-N 2.8Å; D366-A369 PolarHBondContact O-N 3.45Å; D366-R370 PolarHBondContact O-N 2.96Å |
| 367 | E | 98.3 | Very high | 98 | Very high | 75 Ų | 75 | 99.8 Ų | 99.8 | 35% | 0.35 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.2 | -48.7 | 172.8 | -160.8 | 84.4 | -146.6 | 0 | 0 | 110.9 | N363 M364 A369 R370 H371 | N363-E367 WeakPolarHBondContact O-CB 3.37Å; N363-E367 PolarHBondContact O-N 3.46Å; M364-E367 PolarHBondContact O-N 3.22Å; E367-A369 PolarHBondContact O-N 3.23Å; E367-R370 WeakPolarHBondContact O-CB 3.41Å; E367-R370 PolarHBondContact O-N 3.47Å; E367-R370 IonicContact OE1-CZ 2.98Å; E367-R370 VanDerWaalsContact OE1-CZ 3.26Å; E367-R370 IonicContact OE1-NH1 2.69Å; E367-R370 PolarHBondContact OE1-NH1 3.19Å; E367-R370 IonicContact OE1-NH2 3.8Å; E367-R370 PolarHBondContact OE1-NH2 2.59Å; E367-R370 IonicContact OE2-CZ 3.39Å; E367-R370 IonicContact OE2-NH1 3.26Å; E367-R370 IonicContact OE2-NH2 3.78Å; E367-R370 PolarHBondContact OE2-NH2 2.93Å; E367-H371 PolarHBondContact O-CD2 2.92Å; E367-H371 PolarHBondContact O-N 3.33Å |
| 368 | M | 97.9 | Very high | 98 | Very high | 116 Ų | 116 | 100.3 Ų | 100.3 | 57% | 0.571 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.5 | -43.1 | 177.3 | -176.4 | 174.1 | 64.9 | 0 | 0 | 112 | M364 K365 R370 H371 L372 | M364-M368 WeakPolarHBondContact O-CB 3.48Å; M364-M368 PolarHBondContact O-N 2.9Å; K365-M368 PolarHBondContact O-N 3.17Å; M368-R370 VanDerWaalsContact C-N 3.29Å; M368-R370 PolarHBondContact O-N 2.86Å; M368-H371 PolarHBondContact O-N 3.42Å; M368-L372 HydrophobicContact CG-CD1 4.45Å; M368-L372 WeakPolarHBondContact O-CG 3.38Å; M368-L372 PolarHBondContact O-N 3.31Å |
| 369 | A | 97.8 | Very high | 97.9 | Very high | 44 Ų | 44 | 98.7 Ų | 98.7 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.5 | -33.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K365 D366 E367 R373 | K365-A369 WeakPolarHBondContact O-CB 3.48Å; K365-A369 PolarHBondContact O-N 2.86Å; D366-A369 PolarHBondContact O-N 3.45Å; E367-A369 PolarHBondContact O-N 3.23Å; A369-R373 PolarHBondContact O-N 2.94Å; A369-R373 PolarHBondContact O-NE 3.08Å |
| 370 | R | 98.3 | Very high | 97.9 | Very high | 74 Ų | 74 | 98.4 Ų | 98.4 | 28% | 0.279 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68 | -48.2 | 173.1 | -164.2 | -162.1 | -31.9 | 104.5 | -0 | 111.5 | D366 E367 M368 L372 R373 E374 | D366-R370 PolarHBondContact O-N 2.96Å; E367-R370 WeakPolarHBondContact O-CB 3.41Å; E367-R370 PolarHBondContact O-N 3.47Å; E367-R370 IonicContact OE1-CZ 2.98Å; E367-R370 VanDerWaalsContact OE1-CZ 3.26Å; E367-R370 IonicContact OE1-NH1 2.69Å; E367-R370 PolarHBondContact OE1-NH1 3.19Å; E367-R370 IonicContact OE1-NH2 3.8Å; E367-R370 PolarHBondContact OE1-NH2 2.59Å; E367-R370 IonicContact OE2-CZ 3.39Å; E367-R370 IonicContact OE2-NH1 3.26Å; E367-R370 IonicContact OE2-NH2 3.78Å; E367-R370 PolarHBondContact OE2-NH2 2.93Å; M368-R370 VanDerWaalsContact C-N 3.29Å; M368-R370 PolarHBondContact O-N 2.86Å; R370-L372 VanDerWaalsContact C-N 3.29Å; R370-L372 PolarHBondContact O-N 3.04Å; R370-R373 WeakPolarHBondContact O-CB 3.11Å; R370-R373 PolarHBondContact O-N 3.4Å; R370-E374 WeakPolarHBondContact CD-OE1 3.47Å; R370-E374 WeakPolarHBondContact O-CG 3.36Å; R370-E374 PolarHBondContact O-N 3.03Å |
| 371 | H | 97.7 | Very high | 97.9 | Very high | 78 Ų | 78 | 99 Ų | 99 | 36% | 0.361 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.8 | -41.3 | 176.9 | -71.6 | -35.6 | 0 | 0 | 0 | 112 | E367 M368 R373 E374 Y375 | E367-H371 PolarHBondContact O-CD2 2.92Å; E367-H371 PolarHBondContact O-N 3.33Å; M368-H371 PolarHBondContact O-N 3.42Å; H371-R373 VanDerWaalsContact C-N 3.3Å; H371-R373 PolarHBondContact O-N 2.87Å; H371-E374 IonicContact CE1-OE2 2.81Å; H371-E374 IonicContact ND1-OE2 3.96Å; H371-E374 PolarHBondContact ND1-OE2 3.13Å; H371-E374 PolarHBondContact O-N 3.37Å; H371-Y375 HydrophobicContact CB-CD2 4.39Å; H371-Y375 HydrophobicContact CB-CE2 4.25Å; H371-Y375 WeakPolarHBondContact O-CD2 3.49Å; H371-Y375 PolarHBondContact O-N 2.91Å |
| 372 | L | 97.9 | Very high | 97.9 | Very high | 113 Ų | 113 | 99.7 Ų | 99.7 | 59% | 0.592 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.4 | -40.7 | 174.7 | -76.8 | 169.1 | 0 | 0 | 0 | 112.5 | M368 R370 Q376 | M368-L372 HydrophobicContact CG-CD1 4.45Å; M368-L372 WeakPolarHBondContact O-CG 3.38Å; M368-L372 PolarHBondContact O-N 3.31Å; R370-L372 VanDerWaalsContact C-N 3.29Å; R370-L372 PolarHBondContact O-N 3.04Å; L372-Q376 PolarHBondContact O-N 3.47Å |
| 373 | R | 97.8 | Very high | 97.8 | Very high | 160 Ų | 160 | 99.3 Ų | 99.3 | 60% | 0.604 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.7 | -47.1 | 174 | -76.4 | -178.3 | -75.1 | 142.8 | -8.2 | 111.9 | A369 R370 H371 Y375 Q376 D377 | A369-R373 PolarHBondContact O-N 2.94Å; A369-R373 PolarHBondContact O-NE 3.08Å; R370-R373 WeakPolarHBondContact O-CB 3.11Å; R370-R373 PolarHBondContact O-N 3.4Å; H371-R373 VanDerWaalsContact C-N 3.3Å; H371-R373 PolarHBondContact O-N 2.87Å; R373-Y375 VanDerWaalsContact C-N 3.3Å; R373-Y375 PolarHBondContact O-N 3.39Å; R373-Q376 WeakPolarHBondContact O-CB 3.41Å; R373-Q376 PolarHBondContact O-N 3.43Å; R373-Q376 VanDerWaalsContact O-N 3.11Å; R373-D377 PolarHBondContact O-N 2.85Å |
| 374 | E | 97.9 | Very high | 97.8 | Very high | 96 Ų | 96 | 98.1 Ų | 98.1 | 45% | 0.449 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59 | -40.6 | 177.3 | -68.7 | 165.6 | 179 | 0 | 0 | 112 | R370 H371 D377 L378 | R370-E374 WeakPolarHBondContact CD-OE1 3.47Å; R370-E374 WeakPolarHBondContact O-CG 3.36Å; R370-E374 PolarHBondContact O-N 3.03Å; H371-E374 IonicContact CE1-OE2 2.81Å; H371-E374 IonicContact ND1-OE2 3.96Å; H371-E374 PolarHBondContact ND1-OE2 3.13Å; H371-E374 PolarHBondContact O-N 3.37Å; E374-D377 PolarHBondContact O-N 3.25Å; E374-L378 WeakPolarHBondContact O-CB 3.48Å; E374-L378 PolarHBondContact O-N 3.21Å |
| 375 | Y | 97.8 | Very high | 97.8 | Very high | 166 Ų | 166 | 96.3 Ų | 96.3 | 65% | 0.651 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.1 | -41.4 | 174.4 | -79.3 | -63.4 | 0 | 0 | 0 | 112.4 | H371 R373 L378 L379 | H371-Y375 HydrophobicContact CB-CD2 4.39Å; H371-Y375 HydrophobicContact CB-CE2 4.25Å; H371-Y375 WeakPolarHBondContact O-CD2 3.49Å; H371-Y375 PolarHBondContact O-N 2.91Å; R373-Y375 VanDerWaalsContact C-N 3.3Å; R373-Y375 PolarHBondContact O-N 3.39Å; Y375-L378 PolarHBondContact O-N 3.48Å; Y375-L379 WeakPolarHBondContact O-CB 3.33Å; Y375-L379 PolarHBondContact O-N 3.45Å |
| 376 | Q | 97.6 | Very high | 97.7 | Very high | 99 Ų | 99 | 93.7 Ų | 93.7 | 46% | 0.463 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 176.5 | -174.1 | 61.7 | 47.3 | 0 | 0 | 111.4 | L372 R373 L379 N380 | L372-Q376 PolarHBondContact O-N 3.47Å; R373-Q376 WeakPolarHBondContact O-CB 3.41Å; R373-Q376 PolarHBondContact O-N 3.43Å; R373-Q376 VanDerWaalsContact O-N 3.11Å; Q376-L379 WeakPolarHBondContact O-CB 3.4Å; Q376-L379 PolarHBondContact O-N 3.19Å; Q376-N380 PolarHBondContact NE2-OD1 2.92Å; Q376-N380 VanDerWaalsContact NE2-OD1 3.16Å; Q376-N380 PolarHBondContact O-N 3.2Å; Q376-N380 PolarHBondContact O-ND2 3.35Å; Q376-N380 PolarHBondContact O-OD1 2.91Å |
| 377 | D | 97.6 | Very high | 97.6 | Very high | 98 Ų | 98 | 95 Ų | 95 | 52% | 0.524 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 177 | -70.7 | -22 | 0 | 0 | 0 | 111.3 | R373 E374 L379 N380 V381 | R373-D377 PolarHBondContact O-N 2.85Å; E374-D377 PolarHBondContact O-N 3.25Å; D377-L379 VanDerWaalsContact C-N 3.33Å; D377-L379 PolarHBondContact O-N 3.47Å; D377-N380 WeakPolarHBondContact O-CB 3.41Å; D377-N380 PolarHBondContact O-N 2.95Å; D377-V381 WeakPolarHBondContact O-CG2 3.22Å; D377-V381 PolarHBondContact O-N 3.37Å |
| 378 | L | 97.9 | Very high | 97.5 | Very high | 114 Ų | 114 | 95.8 Ų | 95.8 | 60% | 0.597 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.7 | -39.3 | 175.4 | -175.4 | 62 | 0 | 0 | 0 | 112 | E374 Y375 V381 K382 | E374-L378 WeakPolarHBondContact O-CB 3.48Å; E374-L378 PolarHBondContact O-N 3.21Å; Y375-L378 PolarHBondContact O-N 3.48Å; L378-V381 PolarHBondContact O-N 3.29Å; L378-K382 WeakPolarHBondContact O-CB 3.36Å; L378-K382 PolarHBondContact O-N 2.92Å |
| 379 | L | 97.3 | Very high | 97.4 | Very high | 83 Ų | 83 | 94.1 Ų | 94.1 | 44% | 0.435 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 173.8 | 179 | 63.6 | 0 | 0 | 0 | 111.2 | Y375 Q376 D377 V381 K382 M383 | Y375-L379 WeakPolarHBondContact O-CB 3.33Å; Y375-L379 PolarHBondContact O-N 3.45Å; Q376-L379 WeakPolarHBondContact O-CB 3.4Å; Q376-L379 PolarHBondContact O-N 3.19Å; D377-L379 VanDerWaalsContact C-N 3.33Å; D377-L379 PolarHBondContact O-N 3.47Å; L379-V381 VanDerWaalsContact C-N 3.35Å; L379-V381 PolarHBondContact O-N 2.97Å; L379-K382 WeakPolarHBondContact O-CB 3.3Å; L379-K382 PolarHBondContact O-N 3.43Å; L379-M383 WeakPolarHBondContact O-CG 3.26Å; L379-M383 PolarHBondContact O-N 2.88Å |
| 380 | N | 97.5 | Very high | 97.3 | Very high | 76 Ų | 76 | 94.7 Ų | 94.7 | 41% | 0.406 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 176.5 | -66.3 | -22.3 | 0 | 0 | 0 | 111.2 | Q376 D377 M383 A384 | Q376-N380 PolarHBondContact NE2-OD1 2.92Å; Q376-N380 VanDerWaalsContact NE2-OD1 3.16Å; Q376-N380 PolarHBondContact O-N 3.2Å; Q376-N380 PolarHBondContact O-ND2 3.35Å; Q376-N380 PolarHBondContact O-OD1 2.91Å; D377-N380 WeakPolarHBondContact O-CB 3.41Å; D377-N380 PolarHBondContact O-N 2.95Å; N380-M383 PolarHBondContact O-N 3.38Å; N380-A384 PolarHBondContact O-N 3.41Å |
| 381 | V | 97.8 | Very high | 97.1 | Very high | 83 Ų | 83 | 94.4 Ų | 94.4 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 174.5 | 173 | 0 | 0 | 0 | 0 | 111.1 | D377 L378 L379 M383 A384 L385 | D377-V381 WeakPolarHBondContact O-CG2 3.22Å; D377-V381 PolarHBondContact O-N 3.37Å; L378-V381 PolarHBondContact O-N 3.29Å; L379-V381 VanDerWaalsContact C-N 3.35Å; L379-V381 PolarHBondContact O-N 2.97Å; V381-M383 VanDerWaalsContact C-N 3.32Å; V381-M383 PolarHBondContact O-N 3.37Å; V381-A384 WeakPolarHBondContact O-CB 3.4Å; V381-A384 PolarHBondContact O-N 3.03Å; V381-L385 HydrophobicContact CG1-CD1 4.24Å; V381-L385 WeakPolarHBondContact O-CG 3.38Å; V381-L385 PolarHBondContact O-N 3.46Å |
| 382 | K | 97.6 | Very high | 97.1 | Very high | 109 Ų | 109 | 97.6 Ų | 97.6 | 47% | 0.474 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60 | -42.7 | 176.9 | -174.6 | -90.8 | 175.5 | 179.4 | 0 | 111.7 | L378 L379 L385 D386 | L378-K382 WeakPolarHBondContact O-CB 3.36Å; L378-K382 PolarHBondContact O-N 2.92Å; L379-K382 WeakPolarHBondContact O-CB 3.3Å; L379-K382 PolarHBondContact O-N 3.43Å; K382-L385 PolarHBondContact O-N 3.28Å; K382-D386 WeakPolarHBondContact CD-OD2 3.45Å; K382-D386 WeakPolarHBondContact CE-OD1 3.42Å; K382-D386 WeakPolarHBondContact CE-OD2 3.48Å; K382-D386 IonicContact NZ-OD1 3.85Å; K382-D386 IonicContact NZ-OD2 3.89Å; K382-D386 PolarHBondContact NZ-OD2 3.47Å; K382-D386 PolarHBondContact O-N 2.84Å |
| 383 | M | 97.7 | Very high | 96.9 | Very high | 102 Ų | 102 | 99.8 Ų | 99.8 | 50% | 0.502 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 176.5 | -73 | -177.3 | 62.4 | 0 | 0 | 112 | L379 N380 V381 L385 D386 I387 | L379-M383 WeakPolarHBondContact O-CG 3.26Å; L379-M383 PolarHBondContact O-N 2.88Å; N380-M383 PolarHBondContact O-N 3.38Å; V381-M383 VanDerWaalsContact C-N 3.32Å; V381-M383 PolarHBondContact O-N 3.37Å; M383-L385 VanDerWaalsContact C-N 3.35Å; M383-L385 PolarHBondContact O-N 3.02Å; M383-D386 PolarHBondContact O-N 3.28Å; M383-I387 WeakPolarHBondContact O-CG1 2.96Å; M383-I387 PolarHBondContact O-N 2.96Å |
| 384 | A | 97.5 | Very high | 96.7 | Very high | 47 Ų | 47 | 99.7 Ų | 99.7 | 39% | 0.388 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N380 V381 D386 I387 E388 | N380-A384 PolarHBondContact O-N 3.41Å; V381-A384 WeakPolarHBondContact O-CB 3.4Å; V381-A384 PolarHBondContact O-N 3.03Å; A384-D386 PolarHBondContact O-N 3.42Å; A384-I387 WeakPolarHBondContact O-CB 3.44Å; A384-I387 PolarHBondContact O-N 3.49Å; A384-E388 WeakPolarHBondContact O-CG 3.27Å; A384-E388 PolarHBondContact O-N 2.99Å |
| 385 | L | 97.1 | Very high | 96.4 | Very high | 86 Ų | 86 | 100.6 Ų | 100.6 | 45% | 0.45 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 175.8 | -69 | 174.4 | 0 | 0 | 0 | 112.7 | V381 K382 M383 I387 E388 I389 | V381-L385 HydrophobicContact CG1-CD1 4.24Å; V381-L385 WeakPolarHBondContact O-CG 3.38Å; V381-L385 PolarHBondContact O-N 3.46Å; K382-L385 PolarHBondContact O-N 3.28Å; M383-L385 VanDerWaalsContact C-N 3.35Å; M383-L385 PolarHBondContact O-N 3.02Å; L385-I387 VanDerWaalsContact C-N 3.3Å; L385-I387 PolarHBondContact O-N 2.96Å; L385-E388 PolarHBondContact O-N 3.31Å; L385-I389 VanDerWaalsContact O-CG1 3.27Å; L385-I389 WeakPolarHBondContact O-CG1 3.27Å; L385-I389 PolarHBondContact O-N 3.38Å |
| 386 | D | 96.8 | Very high | 95.9 | Very high | 68 Ų | 68 | 98 Ų | 98 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 174.6 | -71.6 | -28.5 | 0 | 0 | 0 | 111.8 | K382 M383 A384 I389 A390 | K382-D386 WeakPolarHBondContact CD-OD2 3.45Å; K382-D386 WeakPolarHBondContact CE-OD1 3.42Å; K382-D386 WeakPolarHBondContact CE-OD2 3.48Å; K382-D386 IonicContact NZ-OD1 3.85Å; K382-D386 IonicContact NZ-OD2 3.89Å; K382-D386 PolarHBondContact NZ-OD2 3.47Å; K382-D386 PolarHBondContact O-N 2.84Å; M383-D386 PolarHBondContact O-N 3.28Å; A384-D386 PolarHBondContact O-N 3.42Å; D386-I389 PolarHBondContact O-N 3.03Å; D386-A390 WeakPolarHBondContact O-CB 3.29Å; D386-A390 PolarHBondContact O-N 2.91Å |
| 387 | I | 96 | Very high | 95.2 | Very high | 109 Ų | 109 | 99 Ų | 99 | 56% | 0.559 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64 | -46 | 175.4 | -66.8 | 165.4 | 0 | 0 | 0 | 109.8 | M383 A384 L385 I389 A390 T391 | M383-I387 WeakPolarHBondContact O-CG1 2.96Å; M383-I387 PolarHBondContact O-N 2.96Å; A384-I387 WeakPolarHBondContact O-CB 3.44Å; A384-I387 PolarHBondContact O-N 3.49Å; L385-I387 VanDerWaalsContact C-N 3.3Å; L385-I387 PolarHBondContact O-N 2.96Å; I387-I389 PolarHBondContact O-N 3.19Å; I387-A390 PolarHBondContact O-N 3.2Å; I387-T391 HydrophobicContact CG2-CG2 4.45Å; I387-T391 WeakPolarHBondContact O-CG2 3.48Å; I387-T391 PolarHBondContact O-N 3.26Å; I387-T391 PolarHBondContact O-OG1 2.71Å |
| 388 | E | 97.1 | Very high | 94.2 | Very high | 91 Ų | 91 | 95.7 Ų | 95.7 | 43% | 0.425 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 174.8 | -72.3 | 178.6 | -167.3 | 0 | 0 | 111.9 | A384 L385 A390 T391 Y392 | A384-E388 WeakPolarHBondContact O-CG 3.27Å; A384-E388 PolarHBondContact O-N 2.99Å; L385-E388 PolarHBondContact O-N 3.31Å; E388-A390 VanDerWaalsContact C-N 3.3Å; E388-A390 PolarHBondContact O-N 2.89Å; E388-T391 WeakPolarHBondContact CA-OG1 3.45Å; E388-T391 PolarHBondContact O-N 3Å; E388-T391 PolarHBondContact O-OG1 3.42Å; E388-Y392 HydrophobicContact CB-CD2 4.3Å; E388-Y392 HydrophobicContact CB-CE2 3.97Å; E388-Y392 WeakPolarHBondContact O-CB 3.36Å; E388-Y392 WeakPolarHBondContact O-CD2 3.39Å; E388-Y392 PolarHBondContact O-N 2.9Å |
| 389 | I | 95.3 | Very high | 93 | Very high | 80 Ų | 80 | 94.4 Ų | 94.4 | 41% | 0.41 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 176.3 | -69.3 | 165.8 | 0 | 0 | 0 | 110.7 | L385 D386 I387 Y392 R393 | L385-I389 VanDerWaalsContact O-CG1 3.27Å; L385-I389 WeakPolarHBondContact O-CG1 3.27Å; L385-I389 PolarHBondContact O-N 3.38Å; D386-I389 PolarHBondContact O-N 3.03Å; I387-I389 PolarHBondContact O-N 3.19Å; I389-Y392 PolarHBondContact O-N 3.48Å; I389-R393 HydrophobicContact CG2-CG 4.47Å; I389-R393 WeakPolarHBondContact O-CB 3.05Å; I389-R393 VanDerWaalsContact O-CG 3.26Å; I389-R393 WeakPolarHBondContact O-CG 3.36Å; I389-R393 PolarHBondContact O-N 2.84Å |
| 390 | A | 95.9 | Very high | 91.6 | Very high | 56 Ų | 56 | 96.5 Ų | 96.5 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D386 I387 E388 K394 | D386-A390 WeakPolarHBondContact O-CB 3.29Å; D386-A390 PolarHBondContact O-N 2.91Å; I387-A390 PolarHBondContact O-N 3.2Å; E388-A390 VanDerWaalsContact C-N 3.3Å; E388-A390 PolarHBondContact O-N 2.89Å; A390-K394 WeakPolarHBondContact O-CB 3.49Å; A390-K394 PolarHBondContact O-N 2.84Å |
| 391 | T | 93.8 | Very high | 89.8 | Confident | 69 Ų | 69 | 96.4 Ų | 96.4 | 42% | 0.423 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.9 | -45.5 | 175.5 | 59.5 | 0 | 0 | 0 | 0 | 111.2 | I387 E388 R393 K394 L395 | I387-T391 HydrophobicContact CG2-CG2 4.45Å; I387-T391 WeakPolarHBondContact O-CG2 3.48Å; I387-T391 PolarHBondContact O-N 3.26Å; I387-T391 PolarHBondContact O-OG1 2.71Å; E388-T391 WeakPolarHBondContact CA-OG1 3.45Å; E388-T391 PolarHBondContact O-N 3Å; E388-T391 PolarHBondContact O-OG1 3.42Å; T391-R393 VanDerWaalsContact C-N 3.33Å; T391-R393 PolarHBondContact O-N 3.45Å; T391-K394 PolarHBondContact O-N 2.81Å; T391-K394 VanDerWaalsContact O-N 3.13Å; T391-L395 WeakPolarHBondContact O-CD1 3.5Å; T391-L395 PolarHBondContact O-N 3.32Å |
| 392 | Y | 96.3 | Very high | 88.1 | Confident | 144 Ų | 144 | 100.9 Ų | 100.9 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.4 | -44.6 | 174.7 | -70.5 | -51.8 | 0 | 0 | 0 | 111.9 | E388 I389 K394 L395 L396 | E388-Y392 HydrophobicContact CB-CD2 4.3Å; E388-Y392 HydrophobicContact CB-CE2 3.97Å; E388-Y392 WeakPolarHBondContact O-CB 3.36Å; E388-Y392 WeakPolarHBondContact O-CD2 3.39Å; E388-Y392 PolarHBondContact O-N 2.9Å; I389-Y392 PolarHBondContact O-N 3.48Å; Y392-K394 PolarHBondContact O-N 3.13Å; Y392-L395 PolarHBondContact O-N 2.95Å; Y392-L396 WeakPolarHBondContact O-CD1 3.24Å; Y392-L396 WeakPolarHBondContact O-CG 3.33Å; Y392-L396 PolarHBondContact O-N 3.5Å |
| 393 | R | 94.3 | Very high | 86.3 | Confident | 159 Ų | 159 | 102.5 Ų | 102.5 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57.7 | -46.5 | 173.9 | -77.4 | 174.9 | 179.9 | 172 | 2.4 | 112 | I389 T391 L395 L396 E397 | I389-R393 HydrophobicContact CG2-CG 4.47Å; I389-R393 WeakPolarHBondContact O-CB 3.05Å; I389-R393 VanDerWaalsContact O-CG 3.26Å; I389-R393 WeakPolarHBondContact O-CG 3.36Å; I389-R393 PolarHBondContact O-N 2.84Å; T391-R393 VanDerWaalsContact C-N 3.33Å; T391-R393 PolarHBondContact O-N 3.45Å; R393-L395 PolarHBondContact O-N 3.26Å; R393-L396 PolarHBondContact O-N 2.87Å; R393-E397 WeakPolarHBondContact O-CG 3.35Å; R393-E397 PolarHBondContact O-N 3.29Å |
| 394 | K | 93.1 | Very high | 84.1 | Confident | 158 Ų | 158 | 102.3 Ų | 102.3 | 69% | 0.687 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.7 | -38.2 | 178.9 | -171.4 | 176.2 | -177.8 | 178.2 | 0 | 112.8 | A390 T391 Y392 G398 | A390-K394 WeakPolarHBondContact O-CB 3.49Å; A390-K394 PolarHBondContact O-N 2.84Å; T391-K394 PolarHBondContact O-N 2.81Å; T391-K394 VanDerWaalsContact O-N 3.13Å; Y392-K394 PolarHBondContact O-N 3.13Å; K394-G398 PolarHBondContact O-N 3.25Å |
| 395 | L | 91.8 | Very high | 81.6 | Confident | 116 Ų | 116 | 104.5 Ų | 104.5 | 61% | 0.607 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.7 | -44.1 | 174.6 | -90.1 | 82.5 | 0 | 0 | 0 | 111.4 | T391 Y392 R393 G398 E399 | T391-L395 WeakPolarHBondContact O-CD1 3.5Å; T391-L395 PolarHBondContact O-N 3.32Å; Y392-L395 PolarHBondContact O-N 2.95Å; R393-L395 PolarHBondContact O-N 3.26Å; L395-G398 PolarHBondContact O-N 2.88Å; L395-E399 PolarHBondContact O-N 3.45Å |
| 396 | L | 87.2 | Confident | 79.4 | Confident | 112 Ų | 112 | 106.4 Ų | 106.4 | 59% | 0.586 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.9 | -45.7 | 176.6 | -79.6 | 155.4 | 0 | 0 | 0 | 111.7 | Y392 R393 G398 E399 E400 | Y392-L396 WeakPolarHBondContact O-CD1 3.24Å; Y392-L396 WeakPolarHBondContact O-CG 3.33Å; Y392-L396 PolarHBondContact O-N 3.5Å; R393-L396 PolarHBondContact O-N 2.87Å; L396-G398 VanDerWaalsContact C-N 3.28Å; L396-G398 PolarHBondContact O-N 3.47Å; L396-E399 PolarHBondContact O-N 2.93Å; L396-E400 WeakPolarHBondContact O-CG 3.32Å; L396-E400 PolarHBondContact O-N 2.86Å |
| 397 | E | 84.4 | Confident | 76.7 | Confident | 119 Ų | 119 | 110.3 Ų | 110.3 | 56% | 0.556 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61 | -36.1 | 174.1 | -72.1 | 170.5 | -171.1 | 0 | 0 | 112.2 | R393 S401 | R393-E397 WeakPolarHBondContact O-CG 3.35Å; R393-E397 PolarHBondContact O-N 3.29Å; E397-S401 WeakPolarHBondContact O-CB 3.34Å; E397-S401 PolarHBondContact O-N 2.83Å; E397-S401 PolarHBondContact O-OG 3.39Å |
| 398 | G | 76.8 | Confident | 74.8 | Confident | 29 Ų | 29 | 109.7 Ų | 109.7 | 30% | 0.299 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67 | -38.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | K394 L395 L396 S401 R402 | K394-G398 PolarHBondContact O-N 3.25Å; L395-G398 PolarHBondContact O-N 2.88Å; L396-G398 VanDerWaalsContact C-N 3.28Å; L396-G398 PolarHBondContact O-N 3.47Å; G398-S401 WeakPolarHBondContact O-CB 3.3Å; G398-S401 PolarHBondContact O-N 2.82Å; G398-R402 PolarHBondContact O-N 2.93Å; G398-R402 VanDerWaalsContact O-N 3.13Å |
| 399 | E | 71.6 | Confident | 71.7 | Confident | 87 Ų | 87 | 113 Ų | 113 | 41% | 0.407 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.8 | -41.3 | 173.6 | -73.7 | -58.4 | 128.1 | 0 | 0 | 112.1 | L395 L396 S401 R402 I403 | L395-E399 PolarHBondContact O-N 3.45Å; L396-E399 PolarHBondContact O-N 2.93Å; E399-S401 PolarHBondContact O-N 2.87Å; E399-R402 WeakPolarHBondContact O-CB 3.32Å; E399-R402 PolarHBondContact O-N 3.17Å; E399-R402 IonicContact OE1-CZ 3.19Å; E399-R402 IonicContact OE1-NE 2.6Å; E399-R402 PolarHBondContact OE1-NE 3.06Å; E399-R402 IonicContact OE1-NH2 2.74Å; E399-R402 PolarHBondContact OE1-NH2 2.88Å; E399-R402 IonicContact OE2-NE 2.87Å; E399-I403 WeakPolarHBondContact O-CG1 3.39Å; E399-I403 PolarHBondContact O-N 2.74Å |
| 400 | E | 67.1 | Low | 69.1 | Low | 127 Ų | 127 | 118.2 Ų | 118.2 | 59% | 0.593 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -59 | -36.6 | 171.8 | -72.9 | -174.1 | 179.9 | 0 | 0 | 111.5 | L396 I403 S404 | L396-E400 WeakPolarHBondContact O-CG 3.32Å; L396-E400 PolarHBondContact O-N 2.86Å; E400-I403 PolarHBondContact O-N 2.9Å; E400-S404 WeakPolarHBondContact O-CB 3.2Å; E400-S404 PolarHBondContact O-N 3.25Å |
| 401 | S | 60.6 | Low | 66.2 | Low | 74 Ų | 74 | 120.9 Ų | 120.9 | 52% | 0.517 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -66.8 | -34 | 174.7 | -57 | 0 | 0 | 0 | 0 | 112.9 | E397 G398 E399 T405 | E397-S401 WeakPolarHBondContact O-CB 3.34Å; E397-S401 PolarHBondContact O-N 2.83Å; E397-S401 PolarHBondContact O-OG 3.39Å; G398-S401 WeakPolarHBondContact O-CB 3.3Å; G398-S401 PolarHBondContact O-N 2.82Å; E399-S401 PolarHBondContact O-N 2.87Å; S401-T405 PolarHBondContact O-OG1 3.2Å |
| 402 | R | 62.9 | Low | 63.4 | Low | 176 Ų | 176 | 123.1 Ų | 123.1 | 66% | 0.664 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72 | -38.4 | 173.3 | -74.6 | -168.8 | -108.6 | -104.5 | 3 | 112.5 | G398 E399 | G398-R402 PolarHBondContact O-N 2.93Å; G398-R402 VanDerWaalsContact O-N 3.13Å; E399-R402 WeakPolarHBondContact O-CB 3.32Å; E399-R402 PolarHBondContact O-N 3.17Å; E399-R402 IonicContact OE1-CZ 3.19Å; E399-R402 IonicContact OE1-NE 2.6Å; E399-R402 PolarHBondContact OE1-NE 3.06Å; E399-R402 IonicContact OE1-NH2 2.74Å; E399-R402 PolarHBondContact OE1-NH2 2.88Å; E399-R402 IonicContact OE2-NE 2.87Å |
| 403 | I | 58.9 | Low | 60.7 | Low | 144 Ų | 144 | 123.7 Ų | 123.7 | 74% | 0.738 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -77.7 | -28.2 | -179 | -63.8 | 168.2 | 0 | 0 | 0 | 111.2 | E399 E400 | E399-I403 WeakPolarHBondContact O-CG1 3.39Å; E399-I403 PolarHBondContact O-N 2.74Å; E400-I403 PolarHBondContact O-N 2.9Å |
| 404 | S | 50.8 | Low | 57.9 | Low | 98 Ų | 98 | 123.1 Ų | 123.1 | 69% | 0.685 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 6.4 | -173.9 | -172.3 | 0 | 0 | 0 | 0 | 115.9 | E400 | E400-S404 WeakPolarHBondContact O-CB 3.2Å; E400-S404 PolarHBondContact O-N 3.25Å |
| 405 | T | 46 | Very low | 55.1 | Low | 93 Ų | 93 | 123.1 Ų | 123.1 | 57% | 0.571 | 67% | 0.674 | S | S | * | * | trans | -139.4 | 127.7 | 177.6 | -3.8 | 0 | 0 | 0 | 0 | 114.1 | S401 | S401-T405 PolarHBondContact O-OG1 3.2Š| ||
| 406 | P | 50.8 | Low | 52.4 | Low | 126 Ų | 126 | 128.2 Ų | 128.2 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | trans | -73.1 | 132 | 167.1 | 27.2 | -24.2 | 0 | 0 | 0 | 110.1 | ||||
| 407 | L | 40.1 | Very low | 49.6 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 78% | 0.78 | 70% | 0.697 | S | S | * | * | trans | -71.6 | 166.7 | 177.5 | -105.7 | 78.2 | 0 | 0 | 0 | 112.5 | ||||
| 408 | P | 56.4 | Low | 47.2 | Very low | 96 Ų | 96 | 127.3 Ų | 127.3 | 62% | 0.623 | 70% | 0.7 | S | S | * | * | cis | -134.8 | 168.7 | 5 | 30.7 | -8.8 | 0 | 0 | 0 | 115.5 | ||||
| 409 | N | 31.8 | Very low | 45.1 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 87% | 0.866 | 73% | 0.728 | S | S | * | * | -168.7 | 123.1 | 126.8 | -96.1 | -6.8 | 0 | 0 | 0 | 111.8 | |||||
| 410 | F | 41 | Very low | 43.7 | Very low | 188 Ų | 188 | 134.1 Ų | 134.1 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | trans | -79.6 | 135.8 | 168.5 | -87.9 | -100.3 | 0 | 0 | 0 | 109.8 | ||||
| 411 | S | 34.6 | Very low | 42.2 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | -156.1 | 117.7 | 150.2 | -75.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 412 | S | 34.7 | Very low | 41 | Very low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | 61 | 104.7 | 147.5 | 58.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 413 | L | 41 | Very low | 39.7 | Very low | 156 Ų | 156 | 138 Ų | 138 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | trans | -44.9 | 135.3 | 136.3 | -65.3 | 161.5 | 0 | 0 | 0 | 110.9 | ||||
| 414 | N | 34.3 | Very low | 38.4 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | 167.4 | 156.6 | 123.1 | -88.4 | -26.2 | 0 | 0 | 0 | 113.9 | |||||
| 415 | L | 33.7 | Very low | 37.5 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | 82.2 | 121.2 | 166.3 | -88.5 | 71.3 | 0 | 0 | 0 | 116.4 | ||||
| 416 | R | 35.1 | Very low | 36.9 | Very low | 223 Ų | 223 | 143.3 Ų | 143.3 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | cis | 110.9 | 121.5 | 36.4 | 172.3 | 66.9 | 143.3 | -168.6 | -9.5 | 108.1 | ||||
| 417 | D | 28.9 | Very low | 35.9 | Very low | 153 Ų | 153 | 144.7 Ų | 144.7 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 86.4 | 141.3 | 144.3 | -154.1 | 24.7 | 0 | 0 | 0 | 120.6 | ||||
| 418 | G | 33.3 | Very low | 35.6 | Very low | 60 Ų | 60 | 142.5 Ų | 142.5 | 62% | 0.619 | 78% | 0.775 | S | S | * | * | trans | 78.4 | 108.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 419 | L | 34.3 | Very low | 34.5 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | 175.3 | 139.6 | 85.8 | -158.7 | 61.9 | 0 | 0 | 0 | 110.5 | |||||
| 420 | A | 42.1 | Very low | 34.9 | Very low | 85 Ų | 85 | 140.2 Ų | 140.2 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | trans | -24 | 134.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 421 | D | 34.5 | Very low | 35.3 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | trans | -136 | 125.4 | 137.8 | -146.5 | -3.4 | 0 | 0 | 0 | 111.1 | ||||
| 422 | S | 35.8 | Very low | 36.3 | Very low | 96 Ų | 96 | 141 Ų | 141 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | trans | -70.5 | 129.6 | -173.9 | -78.9 | 0 | 0 | 0 | 0 | 109.7 | S424 | S422-S424 PolarHBondContact O-N 2.95Š| ||
| 423 | K | 35.6 | Very low | 37.3 | Very low | 199 Ų | 199 | 142.9 Ų | 142.9 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | trans | -55.8 | 107.8 | 151.7 | -94.5 | 179.6 | 170.1 | -179 | 0 | 108 | ||||
| 424 | S | 32.6 | Very low | 38.2 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | -108.7 | 90.1 | 155.9 | 54 | 0 | 0 | 0 | 0 | 108.1 | S422 F426 | S422-S424 PolarHBondContact O-N 2.95Å; S424-F426 PolarHBondContact O-N 3.35Å | ||
| 425 | H | 31.5 | Very low | 39.4 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 71% | 0.708 | 74% | 0.741 | S | S | * | * | trans | -61.4 | 112.9 | 152.1 | -100.4 | -88.7 | 0 | 0 | 0 | 106.5 | E427 | H425-E427 VanDerWaalsContact C-N 3.32Å; H425-E427 PolarHBondContact O-N 2.97Å | ||
| 426 | F | 31.9 | Very low | 41 | Very low | 185 Ų | 185 | 135.9 Ų | 135.9 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | trans | -90.8 | 78.2 | 163.5 | -152.4 | -101.2 | 0 | 0 | 0 | 107.2 | S424 T428 | S424-F426 PolarHBondContact O-N 3.35Å; F426-T428 HydrophobicContact CD1-CG2 3.64Å; F426-T428 HydrophobicContact CE1-CG2 3.29Å; F426-T428 HydrophobicContact CZ-CG2 4.28Å; F426-T428 PolarHBondContact O-N 3.38Å | ||
| 427 | E | 31.4 | Very low | 42.6 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 73% | 0.729 | 71% | 0.71 | S | S | * | * | trans | -77.9 | 104.2 | 160.2 | -107.2 | 179.2 | 164.7 | 0 | 0 | 107 | H425 S429 | H425-E427 VanDerWaalsContact C-N 3.32Å; H425-E427 PolarHBondContact O-N 2.97Å; E427-S429 PolarHBondContact O-N 3.08Å | ||
| 428 | T | 32.4 | Very low | 44.8 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 63% | 0.632 | 70% | 0.698 | S | S | * | * | trans | -74.5 | 80.9 | 165 | 39.7 | 0 | 0 | 0 | 0 | 109.1 | F426 T430 | F426-T428 HydrophobicContact CD1-CG2 3.64Å; F426-T428 HydrophobicContact CE1-CG2 3.29Å; F426-T428 HydrophobicContact CZ-CG2 4.28Å; F426-T428 PolarHBondContact O-N 3.38Å; T428-T430 PolarHBondContact O-N 2.84Å; T428-T430 VanDerWaalsContact O-N 3.16Å | ||
| 429 | S | 34.4 | Very low | 46.8 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 64% | 0.643 | 69% | 0.689 | S | S | * | * | trans | -74.2 | 94.4 | 161.1 | -59.9 | 0 | 0 | 0 | 0 | 107.8 | E427 T431 | E427-S429 PolarHBondContact O-N 3.08Å; S429-T431 VanDerWaalsContact C-N 3.35Å; S429-T431 PolarHBondContact O-N 3.49Å | ||
| 430 | T | 40.8 | Very low | 48.6 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 72% | 0.724 | 67% | 0.674 | S | S | * | * | trans | -70.7 | 91.3 | 169.6 | 48.6 | 0 | 0 | 0 | 0 | 109 | T428 K432 | T428-T430 PolarHBondContact O-N 2.84Å; T428-T430 VanDerWaalsContact O-N 3.16Å; T430-K432 PolarHBondContact O-N 3.29Å | ||
| 431 | T | 48.7 | Very low | 50.4 | Low | 130 Ų | 130 | 126.5 Ų | 126.5 | 80% | 0.798 | 67% | 0.667 | S | S | * | * | trans | -69.7 | 107 | 165.8 | 45.2 | 0 | 0 | 0 | 0 | 108.2 | S429 K433 | S429-T431 VanDerWaalsContact C-N 3.35Å; S429-T431 PolarHBondContact O-N 3.49Å; T431-K433 PolarHBondContact O-N 2.77Å | ||
| 432 | K | 54.7 | Low | 51.9 | Low | 186 Ų | 186 | 127.2 Ų | 127.2 | 81% | 0.809 | 66% | 0.657 | S | S | * | * | trans | -76.9 | 106.8 | 175.3 | -70.4 | 179.4 | 180 | 175.3 | 0 | 108.2 | T430 V434 | T430-K432 PolarHBondContact O-N 3.29Å; K432-V434 PolarHBondContact O-N 3.45Å | ||
| 433 | K | 56.4 | Low | 53.4 | Low | 155 Ų | 155 | 130.1 Ų | 130.1 | 67% | 0.674 | 67% | 0.665 | S | S | * | * | trans | -68.7 | 116 | 164.2 | -81.1 | -169 | 168.8 | -164.7 | 0 | 108.6 | T431 E455 | T431-K433 PolarHBondContact O-N 2.77Å; K433-E455 IonicContact NZ-OE1 3.7Å; K433-E455 PolarHBondContact NZ-OE1 3.41Å | ||
| 434 | V | 60.1 | Low | 55.2 | Low | 94 Ų | 94 | 124.1 Ų | 124.1 | 57% | 0.57 | 66% | 0.66 | S | S | * | * | trans | -88.1 | 114 | 174.1 | -179.7 | 0 | 0 | 0 | 0 | 107.9 | K432 I436 | K432-V434 PolarHBondContact O-N 3.45Å; V434-I436 HydrophobicContact CG1-CD1 4.46Å; V434-I436 HydrophobicContact CG1-CG1 3.92Å | ||
| 435 | L | 59.1 | Low | 56.8 | Low | 112 Ų | 112 | 126.2 Ų | 126.2 | 59% | 0.586 | 66% | 0.658 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.3 | 112.2 | 172.4 | -136.6 | 88.5 | 0 | 0 | 0 | 108 | N453 | L435-N453 WeakPolarHBondContact CD1-OD1 3.47Å |
| 436 | I | 66.5 | Low | 59.1 | Low | 109 Ų | 109 | 123 Ų | 123 | 56% | 0.559 | 65% | 0.649 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.7 | 114.3 | 173.8 | -55.1 | -178.8 | 0 | 0 | 0 | 107.4 | V434 | V434-I436 HydrophobicContact CG1-CD1 4.46Å; V434-I436 HydrophobicContact CG1-CG1 3.92Å |
| 437 | K | 69.4 | Low | 61.3 | Low | 104 Ų | 104 | 119.4 Ų | 119.4 | 45% | 0.452 | 64% | 0.637 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.7 | 112.8 | 176.5 | -177.2 | 170.1 | 166.9 | 158.4 | 0 | 108.3 | I439 E449 T451 | K437-I439 HydrophobicContact CD-CD1 4.43Å; K437-I439 HydrophobicContact CG-CD1 4.4Å; K437-I439 HydrophobicContact CG-CG1 4.06Å; K437-E449 WeakPolarHBondContact CE-OE1 3.18Å; K437-E449 WeakPolarHBondContact CE-OE2 3.47Å; K437-E449 IonicContact NZ-OE1 3.05Å; K437-E449 PolarHBondContact NZ-OE1 2.93Å; K437-E449 IonicContact NZ-OE2 3.89Å; K437-E449 PolarHBondContact NZ-OE2 2.78Å; K437-T451 HydrophobicContact CB-CG2 4.38Å; K437-T451 HydrophobicContact CD-CG2 4.38Å; K437-T451 HydrophobicContact CG-CG2 4.13Å |
| 438 | T | 74.8 | Confident | 63.1 | Low | 93 Ų | 93 | 116.7 Ų | 116.7 | 57% | 0.571 | 63% | 0.628 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.4 | 123.6 | 177.2 | -50.7 | 0 | 0 | 0 | 0 | 108.5 | S450 | T438-S450 PolarHBondContact N-O 3.41Å |
| 439 | I | 76 | Confident | 65.3 | Low | 84 Ų | 84 | 116.7 Ų | 116.7 | 43% | 0.431 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.8 | 116.4 | -177.1 | -51.8 | 177.5 | 0 | 0 | 0 | 107.6 | K437 T441 V446 | K437-I439 HydrophobicContact CD-CD1 4.43Å; K437-I439 HydrophobicContact CG-CD1 4.4Å; K437-I439 HydrophobicContact CG-CG1 4.06Å; I439-T441 HydrophobicContact CG2-CG2 4.13Å; I439-V446 HydrophobicContact CG2-CB 4.29Å; I439-V446 HydrophobicContact CG2-CG1 3.61Å; I439-V446 HydrophobicContact CG2-CG2 3.77Å |
| 440 | E | 72.8 | Confident | 67.1 | Low | 124 Ų | 124 | 115.9 Ų | 115.9 | 58% | 0.579 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.4 | 120.4 | 168.9 | -89.2 | -174.8 | 153.6 | 0 | 0 | 109.5 | I447 N448 | E440-I447 HydrophobicContact CB-CG1 4.34Å; E440-I447 VanDerWaalsContact O-CG1 3.25Å; E440-I447 WeakPolarHBondContact O-CG1 3.4Å; E440-I447 PolarHBondContact O-N 2.85Å; E440-I447 VanDerWaalsContact O-N 3.08Å; E440-N448 PolarHBondContact N-O 2.9Å |
| 441 | T | 80.1 | Confident | 68.5 | Low | 92 Ų | 92 | 114.1 Ų | 114.1 | 56% | 0.564 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115 | 137.4 | 174.8 | 44.6 | 0 | 0 | 0 | 0 | 110.6 | I439 Q445 V446 | I439-T441 HydrophobicContact CG2-CG2 4.13Å; T441-Q445 WeakPolarHBondContact CA-O 3.41Å; T441-V446 HydrophobicContact CG2-CB 4.44Å; T441-V446 HydrophobicContact CG2-CG2 3.78Å |
| 442 | R | 64.6 | Low | 69.2 | Low | 179 Ų | 179 | 114.9 Ų | 114.9 | 68% | 0.675 | 60% | 0.598 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -132 | 129.7 | 168.6 | -170.6 | 175.3 | -179.1 | 151.8 | 2.2 | 107.9 | G444 Q445 I447 | R442-G444 PolarHBondContact O-N 3.31Å; R442-G444 VanDerWaalsContact O-N 3.16Å; R442-Q445 PolarHBondContact N-O 3.45Å; R442-Q445 PolarHBondContact O-N 3.43Å; R442-I447 HydrophobicContact CB-CD1 3.74Å; R442-I447 HydrophobicContact CB-CG1 4.46Å |
| 443 | D | 68.1 | Low | 69.5 | Low | 157 Ų | 157 | 111.5 Ų | 111.5 | 84% | 0.84 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.2 | 36.6 | -178.4 | -53.9 | -37.4 | 0 | 0 | 0 | 113.8 | Q445 | D443-Q445 VanDerWaalsContact C-N 3.28Å; D443-Q445 PolarHBondContact O-N 2.93Å |
| 444 | G | 73.9 | Confident | 69.5 | Low | 73 Ų | 73 | 110.2 Ų | 110.2 | 75% | 0.753 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.1 | -0.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | R442 | R442-G444 PolarHBondContact O-N 3.31Å; R442-G444 VanDerWaalsContact O-N 3.16Å |
| 445 | Q | 65 | Low | 69 | Low | 152 Ų | 152 | 111.9 Ų | 111.9 | 71% | 0.71 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.7 | 138.2 | 170.5 | -75.6 | -175.7 | 1.4 | 0 | 0 | 111.6 | T441 R442 D443 I447 | T441-Q445 WeakPolarHBondContact CA-O 3.41Å; R442-Q445 PolarHBondContact N-O 3.45Å; R442-Q445 PolarHBondContact O-N 3.43Å; D443-Q445 VanDerWaalsContact C-N 3.28Å; D443-Q445 PolarHBondContact O-N 2.93Å; Q445-I447 PolarHBondContact O-N 3.29Å |
| 446 | V | 79.9 | Confident | 68.4 | Low | 85 Ų | 85 | 112.9 Ų | 112.9 | 52% | 0.515 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.2 | 112.7 | 175.9 | 178.4 | 0 | 0 | 0 | 0 | 108.2 | I439 T441 | I439-V446 HydrophobicContact CG2-CB 4.29Å; I439-V446 HydrophobicContact CG2-CG1 3.61Å; I439-V446 HydrophobicContact CG2-CG2 3.77Å; T441-V446 HydrophobicContact CG2-CB 4.44Å; T441-V446 HydrophobicContact CG2-CG2 3.78Å |
| 447 | I | 78.8 | Confident | 67.4 | Low | 109 Ų | 109 | 116 Ų | 116 | 56% | 0.559 | 61% | 0.607 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.6 | -21.4 | -176.1 | 45.3 | 167.4 | 0 | 0 | 0 | 112.5 | E440 R442 Q445 | E440-I447 HydrophobicContact CB-CG1 4.34Å; E440-I447 VanDerWaalsContact O-CG1 3.25Å; E440-I447 WeakPolarHBondContact O-CG1 3.4Å; E440-I447 PolarHBondContact O-N 2.85Å; E440-I447 VanDerWaalsContact O-N 3.08Å; R442-I447 HydrophobicContact CB-CD1 3.74Å; R442-I447 HydrophobicContact CB-CG1 4.46Å; Q445-I447 PolarHBondContact O-N 3.29Å |
| 448 | N | 69 | Low | 66.1 | Low | 100 Ų | 100 | 122.5 Ų | 122.5 | 54% | 0.535 | 65% | 0.647 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -153.2 | 137 | 174.3 | -155.3 | 3.3 | 0 | 0 | 0 | 111.3 | E440 | E440-N448 PolarHBondContact N-O 2.9Å |
| 449 | E | 78.8 | Confident | 65.6 | Low | 102 Ų | 102 | 124 Ų | 124 | 48% | 0.477 | 65% | 0.65 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.7 | 117.4 | 176.1 | -175.8 | -179.4 | 147.9 | 0 | 0 | 109.1 | K437 | K437-E449 WeakPolarHBondContact CE-OE1 3.18Å; K437-E449 WeakPolarHBondContact CE-OE2 3.47Å; K437-E449 IonicContact NZ-OE1 3.05Å; K437-E449 PolarHBondContact NZ-OE1 2.93Å; K437-E449 IonicContact NZ-OE2 3.89Å; K437-E449 PolarHBondContact NZ-OE2 2.78Å |
| 450 | S | 71 | Confident | 65.1 | Low | 76 Ų | 76 | 126.1 Ų | 126.1 | 53% | 0.531 | 66% | 0.662 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.3 | 132.9 | 174.2 | -174 | 0 | 0 | 0 | 0 | 110.1 | T438 | T438-S450 PolarHBondContact N-O 3.41Å |
| 451 | T | 71.5 | Confident | 64.7 | Low | 80 Ų | 80 | 126.2 Ų | 126.2 | 49% | 0.491 | 67% | 0.667 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.7 | 116 | 176.4 | 35.4 | 0 | 0 | 0 | 0 | 108.7 | K437 | K437-T451 HydrophobicContact CB-CG2 4.38Å; K437-T451 HydrophobicContact CD-CG2 4.38Å; K437-T451 HydrophobicContact CG-CG2 4.13Å |
| 452 | Q | 62.9 | Low | 63.8 | Low | 146 Ų | 146 | 128.2 Ų | 128.2 | 68% | 0.682 | 67% | 0.673 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.1 | 120.7 | 177.6 | -168.3 | 170.3 | 3 | 0 | 0 | 109.5 | H454 | Q452-H454 PolarHBondContact O-N 3.05Å |
| 453 | N | 60.7 | Low | 63.7 | Low | 115 Ų | 115 | 125 Ų | 125 | 62% | 0.615 | 67% | 0.672 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.3 | 112.8 | 172.9 | -67.1 | -30 | 0 | 0 | 0 | 108.1 | L435 | L435-N453 WeakPolarHBondContact CD1-OD1 3.47Å |
| 454 | H | 55.7 | Low | 63.4 | Low | 129 Ų | 129 | 122.9 Ų | 122.9 | 60% | 0.597 | 66% | 0.661 | S | S | * | * | trans | -90.1 | 107.8 | 166.8 | -149.6 | 51.2 | 0 | 0 | 0 | 107.8 | Q452 D456 | Q452-H454 PolarHBondContact O-N 3.05Å; H454-D456 IonicContact CD2-OD1 2.73Å; H454-D456 PolarHBondContact CD2-OD1 2.92Å; H454-D456 IonicContact NE2-OD1 3.89Å; H454-D456 PolarHBondContact NE2-OD1 3.25Å | ||
| 455 | E | 50.9 | Low | 62.7 | Low | 129 Ų | 129 | 126.4 Ų | 126.4 | 60% | 0.603 | 66% | 0.655 | S | S | * | * | trans | -91 | 101.7 | 164.5 | -68 | -168.7 | 152.1 | 0 | 0 | 106.1 | K433 M457 | K433-E455 IonicContact NZ-OE1 3.7Å; K433-E455 PolarHBondContact NZ-OE1 3.41Å; E455-M457 PolarHBondContact O-N 3.44Å; E455-M457 VanDerWaalsContact O-N 3.07Å | ||
| 456 | D | 46.6 | Very low | 62.5 | Low | 132 Ų | 132 | 124.5 Ų | 124.5 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | trans | -62.6 | 109.5 | 166.3 | -71.5 | -30.6 | 0 | 0 | 0 | 106.9 | H454 | H454-D456 IonicContact CD2-OD1 2.73Å; H454-D456 PolarHBondContact CD2-OD1 2.92Å; H454-D456 IonicContact NE2-OD1 3.89Å; H454-D456 PolarHBondContact NE2-OD1 3.25Å | ||
| 457 | M | 45.5 | Very low | 61 | Low | 176 Ų | 176 | 127.8 Ų | 127.8 | 87% | 0.867 | 66% | 0.662 | S | S | * | * | trans | -80.7 | 120.1 | 161.8 | -71.6 | -78.7 | -83.9 | 0 | 0 | 106.2 | E455 | E455-M457 PolarHBondContact O-N 3.44Å; E455-M457 VanDerWaalsContact O-N 3.07Å | ||
| 458 | D | 41 | Very low | 59.4 | Low | 239 Ų | 239 | 129.5 Ų | 129.5 | 100% | 1.278 | 67% | 0.671 | S | S | * | * | trans | -45.5 | 0 | 176.8 | -74.6 | -42.8 | 0 | 0 | 0 | 114.1 |
Retrieved 458 of 458 residues in 109.2 ms
(Link to these results)