| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.8 | Very low | 42 | Very low | 251 Ų | 251 | 133.1 Ų | 133.1 | 100% | 1.236 | 87% | 0.867 | S | S | * | * | 0 | 144.7 | 0 | -77.2 | -125 | 175.7 | 0 | 0 | 108.7 | |||||
| 2 | A | 37.4 | Very low | 42.8 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 86% | 0.86 | 87% | 0.87 | S | S | * | * | trans | -63.1 | 150.5 | -156.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 3 | A | 43 | Very low | 44.5 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 88% | 0.884 | 85% | 0.853 | S | S | * | * | trans | -116.2 | 126.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 4 | S | 41.4 | Very low | 46.8 | Very low | 119 Ų | 119 | 132 Ų | 132 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | -136.1 | 108.8 | 175 | 58.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 5 | T | 45.7 | Very low | 48.1 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 91% | 0.908 | 82% | 0.82 | S | S | * | * | trans | -102 | 114.9 | 164.1 | 53 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 6 | S | 39.5 | Very low | 49.6 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -101 | 120.7 | 172.4 | 55.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 7 | N | 39.9 | Very low | 51.2 | Low | 134 Ų | 134 | 129.4 Ų | 129.4 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | trans | -95.1 | 125 | 178.3 | -170.2 | 27.3 | 0 | 0 | 0 | 108.7 | ||||
| 8 | S | 40.2 | Very low | 52.6 | Low | 119 Ų | 119 | 129.9 Ų | 129.9 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -113.9 | 100.6 | 174.2 | 60.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 9 | K | 46.5 | Very low | 53.9 | Low | 180 Ų | 180 | 127.6 Ų | 127.6 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 147.7 | 170.7 | -71.8 | 175.8 | 175 | 176.7 | 0 | 110.3 | ||
| 10 | G | 42.9 | Very low | 55.1 | Low | 71 Ų | 71 | 129.4 Ų | 129.4 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 152 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | E12 | G10-E12 PolarHBondContact O-N 3.05Š|
| 11 | A | 48.5 | Very low | 56 | Low | 106 Ų | 106 | 132.1 Ų | 132.1 | 88% | 0.876 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 119.6 | -174 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 12 | E | 51.4 | Low | 57.7 | Low | 193 Ų | 193 | 127.6 Ų | 127.6 | 90% | 0.902 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 117.4 | 170.9 | -64.2 | -178.7 | 168.4 | 0 | 0 | 109.3 | G10 S14 | G10-E12 PolarHBondContact O-N 3.05Å; E12-S14 PolarHBondContact O-N 3.15Å |
| 13 | L | 65.6 | Low | 59 | Low | 126 Ų | 126 | 129.3 Ų | 129.3 | 66% | 0.66 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 128.4 | 174.8 | -72.6 | 153.2 | 0 | 0 | 0 | 110 | ||
| 14 | S | 75.9 | Confident | 59.8 | Low | 65 Ų | 65 | 129.1 Ų | 129.1 | 46% | 0.455 | 71% | 0.709 | S | S | . | * | P | Polyproline II helix | trans | -65 | 143 | -175.5 | 75.7 | 0 | 0 | 0 | 0 | 111.7 | E12 A16 E17 Y18 | E12-S14 PolarHBondContact O-N 3.15Å; S14-A16 PolarHBondContact O-N 3.24Å; S14-E17 WeakPolarHBondContact O-CB 3.42Å; S14-E17 PolarHBondContact O-N 3.13Å; S14-Y18 PolarHBondContact O-N 3.43Å |
| 15 | K | 66.7 | Low | 60.3 | Low | 172 Ų | 172 | 127 Ų | 127 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -52.2 | -31.1 | 179 | -175.8 | 174.8 | 179.3 | 179 | 0 | 113.3 | L19 | K15-L19 HydrophobicContact CG-CD1 4.11Å; K15-L19 WeakPolarHBondContact O-CD1 3.47Å; K15-L19 PolarHBondContact O-N 3.37Å; K15-L19 VanDerWaalsContact O-N 3.13Å |
| 16 | A | 71.8 | Confident | 60 | Low | 71 Ų | 71 | 126.4 Ų | 126.4 | 59% | 0.587 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -67.8 | -35.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S14 K20 | S14-A16 PolarHBondContact O-N 3.24Å; A16-K20 PolarHBondContact O-N 2.87Å; A16-K20 VanDerWaalsContact O-N 3.15Å |
| 17 | E | 77.2 | Confident | 60.2 | Low | 109 Ų | 109 | 127.9 Ų | 127.9 | 51% | 0.509 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -75.3 | -33.7 | 179.7 | -157.3 | 175.5 | -176.5 | 0 | 0 | 111.7 | S14 K20 | S14-E17 WeakPolarHBondContact O-CB 3.42Å; S14-E17 PolarHBondContact O-N 3.13Å; E17-K20 PolarHBondContact O-N 3.41Å |
| 18 | Y | 76.8 | Confident | 60.4 | Low | 138 Ų | 138 | 129.6 Ų | 129.6 | 54% | 0.541 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -65.6 | -43.7 | 170.6 | -172.8 | -98.7 | 0 | 0 | 0 | 111.9 | S14 K20 R21 Y22 | S14-Y18 PolarHBondContact O-N 3.43Å; Y18-K20 VanDerWaalsContact C-N 3.32Å; Y18-K20 PolarHBondContact O-N 3.5Å; Y18-R21 PolarHBondContact O-N 3.37Å; Y18-Y22 HydrophobicContact CD1-CD2 4.4Å; Y18-Y22 HydrophobicContact CD1-CE2 4.34Å; Y18-Y22 HydrophobicContact CD2-CE2 4.5Å; Y18-Y22 HydrophobicContact CE1-CD2 4.08Å; Y18-Y22 AromaticContact CE1-CE2 3.7Å; Y18-Y22 HydrophobicContact CE1-CE2 3.7Å; Y18-Y22 AromaticContact CE2-CE2 3.87Å; Y18-Y22 HydrophobicContact CE2-CE2 3.87Å; Y18-Y22 AromaticContact CZ-CE2 3.43Å; Y18-Y22 VanDerWaalsContact CZ-CE2 3.43Å; Y18-Y22 WeakPolarHBondContact O-CD2 3.36Å; Y18-Y22 PolarHBondContact OH-OH 2.87Å |
| 19 | L | 76.5 | Confident | 60.2 | Low | 87 Ų | 87 | 129.1 Ų | 129.1 | 46% | 0.455 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -64.8 | -33 | 177.2 | -102.4 | 110 | 0 | 0 | 0 | 113.3 | K15 R21 Y22 L23 | K15-L19 HydrophobicContact CG-CD1 4.11Å; K15-L19 WeakPolarHBondContact O-CD1 3.47Å; K15-L19 PolarHBondContact O-N 3.37Å; K15-L19 VanDerWaalsContact O-N 3.13Å; L19-R21 VanDerWaalsContact C-N 3.29Å; L19-R21 PolarHBondContact O-N 3.44Å; L19-Y22 PolarHBondContact O-N 3.37Å; L19-L23 HydrophobicContact CD2-CD1 4.33Å; L19-L23 PolarHBondContact O-N 3.32Å; L19-L23 VanDerWaalsContact O-N 3.12Å |
| 20 | K | 77.5 | Confident | 59.9 | Low | 163 Ų | 163 | 126 Ų | 126 | 71% | 0.709 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -61.1 | -35.1 | 176.8 | -105.4 | -179.1 | 176.7 | 177.2 | 0 | 113.3 | A16 E17 Y18 Y22 S24 | A16-K20 PolarHBondContact O-N 2.87Å; A16-K20 VanDerWaalsContact O-N 3.15Å; E17-K20 PolarHBondContact O-N 3.41Å; Y18-K20 VanDerWaalsContact C-N 3.32Å; Y18-K20 PolarHBondContact O-N 3.5Å; K20-Y22 VanDerWaalsContact C-N 3.29Å; K20-Y22 PolarHBondContact O-N 3.2Å; K20-S24 PolarHBondContact O-N 3.12Å; K20-S24 PolarHBondContact O-OG 3.17Å |
| 21 | R | 75.8 | Confident | 59.7 | Low | 187 Ų | 187 | 132.1 Ų | 132.1 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -67.3 | -28.7 | 177.2 | -88.3 | -175.5 | 169.2 | 141.6 | -0.6 | 113.6 | Y18 L19 | Y18-R21 PolarHBondContact O-N 3.37Å; L19-R21 VanDerWaalsContact C-N 3.29Å; L19-R21 PolarHBondContact O-N 3.44Å |
| 22 | Y | 70.4 | Confident | 59.2 | Low | 155 Ų | 155 | 132.4 Ų | 132.4 | 61% | 0.608 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -90.5 | -26.2 | -178.8 | -77.7 | -86.7 | 0 | 0 | 0 | 113 | Y18 L19 K20 | Y18-Y22 HydrophobicContact CD1-CD2 4.4Å; Y18-Y22 HydrophobicContact CD1-CE2 4.34Å; Y18-Y22 HydrophobicContact CD2-CE2 4.5Å; Y18-Y22 HydrophobicContact CE1-CD2 4.08Å; Y18-Y22 AromaticContact CE1-CE2 3.7Å; Y18-Y22 HydrophobicContact CE1-CE2 3.7Å; Y18-Y22 AromaticContact CE2-CE2 3.87Å; Y18-Y22 HydrophobicContact CE2-CE2 3.87Å; Y18-Y22 AromaticContact CZ-CE2 3.43Å; Y18-Y22 VanDerWaalsContact CZ-CE2 3.43Å; Y18-Y22 WeakPolarHBondContact O-CD2 3.36Å; Y18-Y22 PolarHBondContact OH-OH 2.87Å; L19-Y22 PolarHBondContact O-N 3.37Å; K20-Y22 VanDerWaalsContact C-N 3.29Å; K20-Y22 PolarHBondContact O-N 3.2Å |
| 23 | L | 66 | Low | 58.6 | Low | 140 Ų | 140 | 133.6 Ų | 133.6 | 73% | 0.733 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -86.1 | -13.1 | 178.6 | -67.6 | 173.7 | 0 | 0 | 0 | 114.2 | L19 | L19-L23 HydrophobicContact CD2-CD1 4.33Å; L19-L23 PolarHBondContact O-N 3.32Å; L19-L23 VanDerWaalsContact O-N 3.12Å |
| 24 | S | 60.1 | Low | 57.1 | Low | 103 Ų | 103 | 131 Ų | 131 | 72% | 0.72 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 9.6 | 176.7 | 64.4 | 0 | 0 | 0 | 0 | 114.2 | K20 | K20-S24 PolarHBondContact O-N 3.12Å; K20-S24 PolarHBondContact O-OG 3.17Å |
| 25 | A | 50.5 | Low | 55.4 | Low | 75 Ų | 75 | 138.3 Ų | 138.3 | 62% | 0.62 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -114.4 | 16.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 26 | D | 40.6 | Very low | 54.4 | Low | 136 Ų | 136 | 137.3 Ų | 137.3 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | -131.1 | 84.1 | 177.4 | -103.4 | -27.2 | 0 | 0 | 0 | 111.3 | ||||
| 27 | D | 44.4 | Very low | 53.1 | Low | 155 Ų | 155 | 143.9 Ų | 143.9 | 83% | 0.829 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -162.1 | 70.6 | 153.2 | -103.9 | -21.5 | 0 | 0 | 0 | 108.2 | ||
| 28 | N | 43.3 | Very low | 51.7 | Low | 170 Ų | 170 | 147.8 Ų | 147.8 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | trans | 174.7 | 79.8 | 149.6 | -90.3 | -45.7 | 0 | 0 | 0 | 111.9 | ||||
| 29 | S | 35.1 | Very low | 50.3 | Low | 110 Ų | 110 | 151 Ų | 151 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -149.5 | 76.9 | 156.2 | 70.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 30 | S | 40.5 | Very low | 48.8 | Very low | 114 Ų | 114 | 158.6 Ų | 158.6 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -88.2 | 109.5 | 165.7 | 63.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 31 | K | 38.4 | Very low | 47.5 | Very low | 200 Ų | 200 | 162 Ų | 162 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | trans | 49.3 | 117.6 | 139.6 | -69.7 | 173.2 | -179.6 | 166.5 | 0 | 120.5 | ||||
| 32 | S | 39 | Very low | 46.1 | Very low | 112 Ų | 112 | 163.1 Ų | 163.1 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | trans | -24.3 | 134.4 | 149.1 | 56.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 33 | K | 37.7 | Very low | 44.9 | Very low | 217 Ų | 217 | 162 Ų | 162 | 94% | 0.943 | 83% | 0.825 | S | S | * | * | trans | -160 | 147.4 | 149.3 | -108.9 | 169.8 | -171.1 | -179.3 | 0 | 112.5 | ||||
| 34 | G | 34.1 | Very low | 44 | Very low | 71 Ų | 71 | 160.7 Ų | 160.7 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | trans | -64.2 | 159.7 | -161 | 0 | 0 | 0 | 0 | 0 | 118 | I36 | G34-I36 PolarHBondContact O-N 3.43Š| ||
| 35 | K | 41 | Very low | 43.3 | Very low | 220 Ų | 220 | 165 Ų | 165 | 96% | 0.957 | 83% | 0.834 | S | S | * | * | trans | -68 | 106.4 | 176.1 | -66.8 | 177.3 | 177.9 | 175.7 | 0 | 110.7 | ||||
| 36 | I | 44.9 | Very low | 43.5 | Very low | 150 Ų | 150 | 173 Ų | 173 | 77% | 0.769 | 85% | 0.848 | S | S | * | * | trans | -103.5 | 118 | 162.5 | -67.5 | 172.3 | 0 | 0 | 0 | 108 | G34 K38 | G34-I36 PolarHBondContact O-N 3.43Å; I36-K38 PolarHBondContact O-N 3.22Å | ||
| 37 | K | 45.9 | Very low | 43.7 | Very low | 209 Ų | 209 | 170.3 Ų | 170.3 | 91% | 0.909 | 85% | 0.852 | S | S | * | * | trans | -64.5 | 109.9 | 175.3 | -70.1 | 178.6 | 177.4 | 176 | 0 | 109.7 | ||||
| 38 | K | 47.7 | Very low | 44.1 | Very low | 192 Ų | 192 | 170.5 Ų | 170.5 | 84% | 0.835 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 122.6 | 168.9 | -73.9 | -177.8 | 178.8 | 174.9 | 0 | 110.1 | I36 | I36-K38 PolarHBondContact O-N 3.22Š|
| 39 | K | 47.1 | Very low | 44.4 | Very low | 206 Ų | 206 | 172 Ų | 172 | 90% | 0.896 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -65 | 131.5 | 170.8 | -70.4 | -173.3 | 176.1 | -178.8 | 0 | 109.7 | ||
| 40 | R | 45.9 | Very low | 45.4 | Very low | 245 Ų | 245 | 172.9 Ų | 172.9 | 93% | 0.925 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 129.2 | 170.6 | -68.3 | 173.4 | 70.2 | 177.4 | 1.3 | 109.2 | ||
| 41 | R | 48.8 | Very low | 45.4 | Very low | 236 Ų | 236 | 172.9 Ų | 172.9 | 89% | 0.891 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 131.6 | 168.1 | -68.2 | 174.6 | 81.1 | -176 | 4.8 | 108.4 | ||
| 42 | K | 47 | Very low | 45.2 | Very low | 210 Ų | 210 | 169.3 Ų | 169.3 | 91% | 0.913 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 127.6 | 170.1 | -85.9 | 177.4 | 170.4 | -177.2 | 0 | 108.9 | ||
| 43 | V | 45.2 | Very low | 45.5 | Very low | 131 Ų | 131 | 170.4 Ų | 170.4 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 134.1 | 166.8 | 178.8 | 0 | 0 | 0 | 0 | 106.9 | E45 | V43-E45 PolarHBondContact O-N 3.29Š|
| 44 | P | 47.2 | Very low | 45.7 | Very low | 112 Ų | 112 | 166.7 Ų | 166.7 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 129.7 | 178 | 28.3 | -32.2 | 0 | 0 | 0 | 110.6 | R46 | P44-R46 PolarHBondContact O-N 2.99Š|
| 45 | E | 45.3 | Very low | 46.3 | Very low | 195 Ų | 195 | 169.8 Ų | 169.8 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -60.5 | 112.5 | 174 | -72 | 179.8 | 157 | 0 | 0 | 110.2 | V43 | V43-E45 PolarHBondContact O-N 3.29Š| ||
| 46 | R | 55.1 | Low | 46.7 | Very low | 243 Ų | 243 | 164.7 Ų | 164.7 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | -92.1 | 112.6 | 157.7 | -86.2 | 179.8 | 170.9 | 165.3 | -3.4 | 106.8 | P44 L48 | P44-R46 PolarHBondContact O-N 2.99Å; R46-L48 PolarHBondContact O-N 3.34Å | ||
| 47 | G | 44 | Very low | 46.9 | Very low | 79 Ų | 79 | 168.4 Ų | 168.4 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | -57.5 | 121.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 48 | L | 52.5 | Low | 47.2 | Very low | 158 Ų | 158 | 169.2 Ų | 169.2 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | -76.5 | 114.9 | 164.1 | -135.5 | 76.6 | 0 | 0 | 0 | 106.9 | R46 | R46-L48 PolarHBondContact O-N 3.34Š| ||
| 49 | K | 49.6 | Very low | 47.3 | Very low | 201 Ų | 201 | 168.8 Ų | 168.8 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -88.6 | 104.6 | 167.4 | -86.3 | 174.6 | 171.1 | 177.7 | 0 | 107.4 | ||||
| 50 | I | 55.9 | Low | 47 | Very low | 130 Ų | 130 | 167.3 Ų | 167.3 | 67% | 0.667 | 80% | 0.801 | S | S | * | * | trans | -79.4 | 119.1 | 165.4 | -60.1 | 168.5 | 0 | 0 | 0 | 105.1 | ||||
| 51 | V | 41.7 | Very low | 46.7 | Very low | 113 Ų | 113 | 161.5 Ų | 161.5 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | -92.5 | 107.5 | 168.8 | 177.3 | 0 | 0 | 0 | 0 | 104.6 | D53 | V51-D53 PolarHBondContact O-N 3.02Å; V51-D53 VanDerWaalsContact O-N 3.16Å | ||
| 52 | D | 33.5 | Very low | 46.5 | Very low | 125 Ų | 125 | 159.5 Ų | 159.5 | 67% | 0.668 | 79% | 0.79 | S | S | * | * | trans | -73.4 | 95.4 | 169.1 | -69.3 | -39.4 | 0 | 0 | 0 | 107 | D54 | D52-D54 PolarHBondContact O-N 3.29Å; D52-D54 VanDerWaalsContact O-N 3.08Å | ||
| 53 | D | 45.3 | Very low | 46 | Very low | 136 Ų | 136 | 157.5 Ų | 157.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -75.2 | 87 | 162.1 | -78.8 | -24 | 0 | 0 | 0 | 106.9 | V51 I55 | V51-D53 PolarHBondContact O-N 3.02Å; V51-D53 VanDerWaalsContact O-N 3.16Å; D53-I55 VanDerWaalsContact C-N 3.28Å; D53-I55 PolarHBondContact O-N 3.26Å | ||
| 54 | D | 41.9 | Very low | 45.4 | Very low | 138 Ų | 138 | 160.4 Ų | 160.4 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | -60.3 | 89 | 170.7 | -73.1 | -36.4 | 0 | 0 | 0 | 109.5 | D52 D56 | D52-D54 PolarHBondContact O-N 3.29Å; D52-D54 VanDerWaalsContact O-N 3.08Å; D54-D56 PolarHBondContact O-N 3.46Å | ||
| 55 | I | 47.7 | Very low | 44.9 | Very low | 137 Ų | 137 | 160.2 Ų | 160.2 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | trans | -77.8 | 100 | 161.9 | -68.3 | 167.2 | 0 | 0 | 0 | 106.3 | D53 W57 | D53-I55 VanDerWaalsContact C-N 3.28Å; D53-I55 PolarHBondContact O-N 3.26Å; I55-W57 VanDerWaalsContact O-CD1 3.28Å; I55-W57 PolarHBondContact O-N 2.94Å | ||
| 56 | D | 47.6 | Very low | 44.6 | Very low | 112 Ų | 112 | 159.5 Ų | 159.5 | 60% | 0.599 | 78% | 0.782 | S | S | * | * | trans | -54.4 | 107.4 | 174.5 | -76.7 | -46.7 | 0 | 0 | 0 | 110.9 | D54 R58 Q59 | D54-D56 PolarHBondContact O-N 3.46Å; D56-R58 PolarHBondContact O-N 3.09Å; D56-Q59 PolarHBondContact O-N 2.86Å; D56-Q59 VanDerWaalsContact O-N 3.16Å | ||
| 57 | W | 50.6 | Low | 43.7 | Very low | 229 Ų | 229 | 153.9 Ų | 153.9 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -59.9 | -3.1 | 173.5 | -66.7 | -4.9 | 0 | 0 | 0 | 114 | I55 Q59 | I55-W57 VanDerWaalsContact O-CD1 3.28Å; I55-W57 PolarHBondContact O-N 2.94Å; W57-Q59 VanDerWaalsContact C-N 3.28Å; W57-Q59 PolarHBondContact O-N 3.08Å |
| 58 | R | 51.2 | Low | 43.5 | Very low | 225 Ų | 225 | 157.9 Ų | 157.9 | 85% | 0.849 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -72.3 | -17.5 | 173.8 | -67.8 | -178.6 | 175.7 | -85.6 | -2.6 | 113.4 | D56 | D56-R58 PolarHBondContact O-N 3.09Š|
| 59 | Q | 50.1 | Low | 43.1 | Very low | 183 Ų | 183 | 158.7 Ų | 158.7 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -89.2 | -1.4 | -179.8 | -81.5 | -176.9 | -10.2 | 0 | 0 | 115.2 | D56 W57 | D56-Q59 PolarHBondContact O-N 2.86Å; D56-Q59 VanDerWaalsContact O-N 3.16Å; W57-Q59 VanDerWaalsContact C-N 3.28Å; W57-Q59 PolarHBondContact O-N 3.08Å |
| 60 | M | 40.1 | Very low | 42.6 | Very low | 175 Ų | 175 | 156.5 Ų | 156.5 | 86% | 0.862 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -102.6 | 2.3 | 176.5 | -67.3 | -166.8 | 84.2 | 0 | 0 | 114.8 | K62 | M60-K62 PolarHBondContact O-N 3.35Š|
| 61 | V | 39.7 | Very low | 41.9 | Very low | 123 Ų | 123 | 159 Ų | 159 | 75% | 0.745 | 78% | 0.778 | S | S | * | * | trans | -89.9 | 81.9 | 172.4 | -174 | 0 | 0 | 0 | 0 | 108.6 | E63 | V61-E63 VanDerWaalsContact C-N 3.31Å; V61-E63 PolarHBondContact O-N 3.45Å; V61-E63 VanDerWaalsContact O-N 3.13Å | ||
| 62 | K | 44.7 | Very low | 42.2 | Very low | 195 Ų | 195 | 163.6 Ų | 163.6 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | -69.2 | 98.3 | 153.8 | -93 | 178.8 | 174.1 | 175.7 | 0 | 107.1 | M60 Q64 | M60-K62 PolarHBondContact O-N 3.35Å; K62-Q64 PolarHBondContact O-N 2.91Å; K62-Q64 VanDerWaalsContact O-N 3.16Å | ||
| 63 | E | 37.4 | Very low | 43.1 | Very low | 168 Ų | 168 | 167.1 Ų | 167.1 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | 21.6 | 84.3 | 132 | -154.9 | 166.9 | -153.3 | 0 | 0 | 114.4 | V61 T65 | V61-E63 VanDerWaalsContact C-N 3.31Å; V61-E63 PolarHBondContact O-N 3.45Å; V61-E63 VanDerWaalsContact O-N 3.13Å; E63-T65 HydrophobicContact CG-CG2 4.45Å | ||
| 64 | Q | 32.6 | Very low | 43.5 | Very low | 192 Ų | 192 | 164 Ų | 164 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -89.1 | 102 | 148.5 | -77.4 | 180 | -21.9 | 0 | 0 | 105.1 | K62 E66 | K62-Q64 PolarHBondContact O-N 2.91Å; K62-Q64 VanDerWaalsContact O-N 3.16Å; Q64-E66 PolarHBondContact O-N 3.36Å | ||
| 65 | T | 36.3 | Very low | 44.3 | Very low | 108 Ų | 108 | 163.1 Ų | 163.1 | 66% | 0.663 | 80% | 0.8 | S | S | * | * | trans | -53.2 | 118.5 | 164.5 | 34 | 0 | 0 | 0 | 0 | 109.1 | E63 V67 | E63-T65 HydrophobicContact CG-CG2 4.45Å; T65-V67 PolarHBondContact O-N 2.89Å; T65-V67 VanDerWaalsContact O-N 3.13Å | ||
| 66 | E | 38.8 | Very low | 44.7 | Very low | 180 Ų | 180 | 163.3 Ų | 163.3 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -53.6 | 108.9 | 156.2 | -83.5 | 169.8 | 152.5 | 0 | 0 | 108.1 | Q64 | Q64-E66 PolarHBondContact O-N 3.36Š| ||
| 67 | V | 35.6 | Very low | 44.6 | Very low | 124 Ų | 124 | 165 Ų | 165 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | -102.6 | 88.7 | 152.7 | 179.9 | 0 | 0 | 0 | 0 | 104.1 | T65 | T65-V67 PolarHBondContact O-N 2.89Å; T65-V67 VanDerWaalsContact O-N 3.13Å | ||
| 68 | E | 41 | Very low | 44.2 | Very low | 164 Ų | 164 | 158.1 Ų | 158.1 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | trans | -78.4 | 144.7 | 153.6 | -79.4 | -174.1 | 148.2 | 0 | 0 | 107.4 | ||||
| 69 | E | 43.2 | Very low | 44.2 | Very low | 175 Ų | 175 | 155.8 Ų | 155.8 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 99.9 | 113.4 | 175.5 | -57 | -177.9 | 162.1 | 0 | 0 | 115.6 | ||
| 70 | D | 39.6 | Very low | 44.4 | Very low | 154 Ų | 154 | 155.9 Ų | 155.9 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | 92.6 | 67.4 | 161.7 | -53.6 | -23.3 | 0 | 0 | 0 | 120.2 | ||||
| 71 | E | 41.3 | Very low | 45.2 | Very low | 183 Ų | 183 | 154.1 Ų | 154.1 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -132.6 | 14.2 | 161.2 | -73.4 | -167.6 | 176 | 0 | 0 | 115.5 | E73 | E71-E73 PolarHBondContact O-N 2.99Š| ||
| 72 | E | 47.2 | Very low | 46.3 | Very low | 209 Ų | 209 | 150 Ų | 150 | 98% | 0.977 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 16.3 | 178.9 | -73 | -167.8 | 169.4 | 0 | 0 | 115.5 | ||
| 73 | E | 53.1 | Low | 47.7 | Very low | 199 Ų | 199 | 148.8 Ų | 148.8 | 93% | 0.93 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.5 | 51.3 | 173.2 | -152 | 164.8 | -160.9 | 0 | 0 | 113.6 | E71 | E71-E73 PolarHBondContact O-N 2.99Š|
| 74 | A | 54.5 | Low | 49.7 | Very low | 72 Ų | 72 | 145.9 Ų | 145.9 | 60% | 0.595 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -114 | 136.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | V76 | A74-V76 PolarHBondContact O-N 3.44Š|
| 75 | P | 59.1 | Low | 52.1 | Low | 118 Ų | 118 | 140.8 Ų | 140.8 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | trans | -58.9 | 133.6 | 176.3 | 24 | -32 | 0 | 0 | 0 | 109.8 | I77 | P75-I77 PolarHBondContact O-N 3.35Š| ||
| 76 | V | 56 | Low | 54 | Low | 141 Ų | 141 | 140.9 Ų | 140.9 | 86% | 0.855 | 73% | 0.729 | S | S | * | * | trans | -57.6 | 103.1 | 176 | 178 | 0 | 0 | 0 | 0 | 108.7 | A74 A78 | A74-V76 PolarHBondContact O-N 3.44Å; V76-A78 PolarHBondContact O-N 2.98Å; V76-A78 VanDerWaalsContact O-N 3.16Å | ||
| 77 | I | 44.5 | Very low | 55.8 | Low | 147 Ų | 147 | 139.6 Ų | 139.6 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | trans | -69.9 | 109.6 | 166.9 | -59 | 173.6 | 0 | 0 | 0 | 105.1 | P75 E79 | P75-I77 PolarHBondContact O-N 3.35Å; I77-E79 PolarHBondContact O-N 3.29Å | ||
| 78 | A | 43.5 | Very low | 57.7 | Low | 86 Ų | 86 | 136.3 Ų | 136.3 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | trans | -60.9 | 101.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | V76 F80 | V76-A78 PolarHBondContact O-N 2.98Å; V76-A78 VanDerWaalsContact O-N 3.16Å; A78-F80 PolarHBondContact O-N 3.47Å | ||
| 79 | E | 51.2 | Low | 59.6 | Low | 175 Ų | 175 | 131.5 Ų | 131.5 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | trans | -59.2 | 103.1 | 169.4 | -70.3 | -172.3 | 161.8 | 0 | 0 | 107.4 | I77 I81 | I77-E79 PolarHBondContact O-N 3.29Å; E79-I81 VanDerWaalsContact C-N 3.28Å; E79-I81 PolarHBondContact O-N 3.28Å | ||
| 80 | F | 52.9 | Low | 61.3 | Low | 185 Ų | 185 | 129.9 Ų | 129.9 | 81% | 0.811 | 67% | 0.672 | S | S | * | * | trans | -68.5 | 93.3 | 172.4 | -169.8 | -95.4 | 0 | 0 | 0 | 106.9 | A78 D82 | A78-F80 PolarHBondContact O-N 3.47Å; F80-D82 VanDerWaalsContact C-N 3.31Å; F80-D82 PolarHBondContact O-N 2.97Å | ||
| 81 | I | 56.4 | Low | 63.1 | Low | 138 Ų | 138 | 126.9 Ų | 126.9 | 71% | 0.708 | 66% | 0.656 | S | S | * | * | trans | -64.5 | 100.1 | 169.8 | -59.3 | 168.4 | 0 | 0 | 0 | 105.6 | E79 E83 | E79-I81 VanDerWaalsContact C-N 3.28Å; E79-I81 PolarHBondContact O-N 3.28Å; I81-E83 PolarHBondContact O-N 3.06Å | ||
| 82 | D | 63 | Low | 64.9 | Low | 37 Ų | 37 | 121.8 Ų | 121.8 | 20% | 0.198 | 63% | 0.632 | C | S | . | * | trans | -59.8 | 108.8 | 173.6 | -172.8 | -7.4 | 0 | 0 | 0 | 107.8 | F80 R84 K89 | F80-D82 VanDerWaalsContact C-N 3.31Å; F80-D82 PolarHBondContact O-N 2.97Å; D82-R84 VanDerWaalsContact CG-NE 3.33Å; D82-R84 PolarHBondContact O-N 2.89Å; D82-R84 WeakPolarHBondContact OD1-CB 3.17Å; D82-R84 WeakPolarHBondContact OD1-CG 3.35Å; D82-R84 IonicContact OD1-CZ 3.37Å; D82-R84 PolarHBondContact OD1-N 2.9Å; D82-R84 VanDerWaalsContact OD1-N 3.13Å; D82-R84 IonicContact OD1-NE 3.52Å; D82-R84 PolarHBondContact OD1-NE 2.79Å; D82-R84 IonicContact OD1-NH2 3.59Å; D82-R84 IonicContact OD2-CZ 3.3Å; D82-R84 VanDerWaalsContact OD2-CZ 3.3Å; D82-R84 IonicContact OD2-NE 2.64Å; D82-R84 PolarHBondContact OD2-NE 3.06Å; D82-R84 VanDerWaalsContact OD2-NE 3.12Å; D82-R84 IonicContact OD2-NH2 2.78Å; D82-R84 PolarHBondContact OD2-NH2 2.91Å; D82-K89 WeakPolarHBondContact O-CE 3.4Å; D82-K89 PolarHBondContact O-NZ 2.79Å | ||
| 83 | E | 74.1 | Confident | 66.6 | Low | 169 Ų | 169 | 116.1 Ų | 116.1 | 79% | 0.79 | 61% | 0.612 | S | S | * | * | trans | -82.9 | 4.5 | -179.1 | -68.9 | -168.4 | 163.6 | 0 | 0 | 112.4 | I81 | I81-E83 PolarHBondContact O-N 3.06Š| ||
| 84 | R | 79 | Confident | 67.7 | Low | 107 Ų | 107 | 110.5 Ų | 110.5 | 40% | 0.404 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -63.9 | 143 | 177.7 | -67 | 179 | -73.3 | 164.3 | 10.4 | 110.7 | D82 K89 E92 | D82-R84 VanDerWaalsContact CG-NE 3.33Å; D82-R84 PolarHBondContact O-N 2.89Å; D82-R84 WeakPolarHBondContact OD1-CB 3.17Å; D82-R84 WeakPolarHBondContact OD1-CG 3.35Å; D82-R84 IonicContact OD1-CZ 3.37Å; D82-R84 PolarHBondContact OD1-N 2.9Å; D82-R84 VanDerWaalsContact OD1-N 3.13Å; D82-R84 IonicContact OD1-NE 3.52Å; D82-R84 PolarHBondContact OD1-NE 2.79Å; D82-R84 IonicContact OD1-NH2 3.59Å; D82-R84 IonicContact OD2-CZ 3.3Å; D82-R84 VanDerWaalsContact OD2-CZ 3.3Å; D82-R84 IonicContact OD2-NE 2.64Å; D82-R84 PolarHBondContact OD2-NE 3.06Å; D82-R84 VanDerWaalsContact OD2-NE 3.12Å; D82-R84 IonicContact OD2-NH2 2.78Å; D82-R84 PolarHBondContact OD2-NH2 2.91Å; R84-K89 WeakPolarHBondContact O-CE 3.34Å; R84-K89 PolarHBondContact O-NZ 3.32Å; R84-E92 IonicContact CZ-OE1 3.07Å; R84-E92 IonicContact CZ-OE2 2.74Å; R84-E92 VanDerWaalsContact CZ-OE2 3.3Å; R84-E92 VanDerWaalsContact NH1-CD 3.31Å; R84-E92 IonicContact NH1-OE1 3.35Å; R84-E92 PolarHBondContact NH1-OE1 3.04Å; R84-E92 IonicContact NH1-OE2 2.63Å; R84-E92 PolarHBondContact NH1-OE2 3.25Å; R84-E92 VanDerWaalsContact NH1-OE2 3.16Å; R84-E92 IonicContact NH2-OE1 2.66Å; R84-E92 IonicContact NH2-OE2 3.11Å; R84-E92 PolarHBondContact NH2-OE2 2.83Å |
| 85 | P | 84.5 | Confident | 68.7 | Low | 85 Ų | 85 | 116.9 Ų | 116.9 | 55% | 0.552 | 59% | 0.593 | S | S | * | * | trans | -56 | 144.6 | -177.4 | 21.1 | -31.8 | 0 | 0 | 0 | 111.4 | E87 V88 K89 | P85-E87 PolarHBondContact O-N 3.29Å; P85-V88 HydrophobicContact CG-CB 4.3Å; P85-V88 HydrophobicContact CG-CG2 3.81Å; P85-V88 PolarHBondContact O-N 2.7Å; P85-K89 PolarHBondContact O-N 3.27Å | ||
| 86 | D | 76 | Confident | 69.6 | Low | 111 Ų | 111 | 116.4 Ų | 116.4 | 59% | 0.594 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -56.2 | -29.1 | -170.8 | -68.3 | -19.7 | 0 | 0 | 0 | 113.5 | K89 Q90 | D86-K89 PolarHBondContact O-N 3.09Å; D86-K89 IonicContact OD1-NZ 3.99Å; D86-Q90 WeakPolarHBondContact O-CB 3.41Å; D86-Q90 VanDerWaalsContact O-CG 3.25Å; D86-Q90 WeakPolarHBondContact O-CG 3.34Å; D86-Q90 PolarHBondContact O-N 3.41Å |
| 87 | E | 75.3 | Confident | 70.7 | Confident | 152 Ų | 152 | 111 Ų | 111 | 71% | 0.71 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.9 | -40.1 | 174.9 | -64 | 179.2 | 175.5 | 0 | 0 | 112.5 | P85 Q90 L91 | P85-E87 PolarHBondContact O-N 3.29Å; E87-Q90 PolarHBondContact O-N 3.48Å; E87-L91 WeakPolarHBondContact O-CB 3.44Å; E87-L91 WeakPolarHBondContact O-CD1 3.36Å; E87-L91 WeakPolarHBondContact O-CG 3.43Å; E87-L91 PolarHBondContact O-N 3.11Å |
| 88 | V | 75.8 | Confident | 72.3 | Confident | 56 Ų | 56 | 112.1 Ų | 112.1 | 34% | 0.339 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72.7 | -38.6 | 179.6 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | P85 L91 E92 | P85-V88 HydrophobicContact CG-CB 4.3Å; P85-V88 HydrophobicContact CG-CG2 3.81Å; P85-V88 PolarHBondContact O-N 2.7Å; V88-L91 PolarHBondContact O-N 2.91Å; V88-E92 PolarHBondContact O-N 3.24Å |
| 89 | K | 81.9 | Confident | 73.8 | Confident | 62 Ų | 62 | 118.4 Ų | 118.4 | 27% | 0.27 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.8 | -44.2 | 173.3 | -69 | 172.9 | 177.3 | 147.4 | 0 | 111.7 | D82 R84 P85 D86 L91 E92 V93 | D82-K89 WeakPolarHBondContact O-CE 3.4Å; D82-K89 PolarHBondContact O-NZ 2.79Å; R84-K89 WeakPolarHBondContact O-CE 3.34Å; R84-K89 PolarHBondContact O-NZ 3.32Å; P85-K89 PolarHBondContact O-N 3.27Å; D86-K89 PolarHBondContact O-N 3.09Å; D86-K89 IonicContact OD1-NZ 3.99Å; K89-L91 VanDerWaalsContact C-N 3.34Å; K89-L91 PolarHBondContact O-N 3.15Å; K89-E92 PolarHBondContact O-N 2.99Å; K89-V93 VanDerWaalsContact O-CG2 3.27Å; K89-V93 WeakPolarHBondContact O-CG2 3.49Å; K89-V93 PolarHBondContact O-N 2.85Å |
| 90 | Q | 79.6 | Confident | 74.6 | Confident | 141 Ų | 141 | 117.2 Ų | 117.2 | 66% | 0.659 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.4 | -38.1 | 177.8 | -73.1 | 175.4 | 24 | 0 | 0 | 111.9 | D86 E87 F94 | D86-Q90 WeakPolarHBondContact O-CB 3.41Å; D86-Q90 VanDerWaalsContact O-CG 3.25Å; D86-Q90 WeakPolarHBondContact O-CG 3.34Å; D86-Q90 PolarHBondContact O-N 3.41Å; E87-Q90 PolarHBondContact O-N 3.48Å; Q90-F94 VanDerWaalsContact O-CB 3.29Å; Q90-F94 WeakPolarHBondContact O-CB 3.5Å; Q90-F94 PolarHBondContact O-N 3.12Å |
| 91 | L | 76.1 | Confident | 75.5 | Confident | 92 Ų | 92 | 117.1 Ų | 117.1 | 48% | 0.482 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.5 | -40 | 174.9 | -83.3 | 158.6 | 0 | 0 | 0 | 112.8 | E87 V88 K89 F94 R95 | E87-L91 WeakPolarHBondContact O-CB 3.44Å; E87-L91 WeakPolarHBondContact O-CD1 3.36Å; E87-L91 WeakPolarHBondContact O-CG 3.43Å; E87-L91 PolarHBondContact O-N 3.11Å; V88-L91 PolarHBondContact O-N 2.91Å; K89-L91 VanDerWaalsContact C-N 3.34Å; K89-L91 PolarHBondContact O-N 3.15Å; L91-F94 PolarHBondContact O-N 2.92Å; L91-R95 WeakPolarHBondContact O-CB 3.31Å; L91-R95 VanDerWaalsContact O-CG 3.3Å; L91-R95 WeakPolarHBondContact O-CG 3.31Å; L91-R95 PolarHBondContact O-N 3.28Å |
| 92 | E | 80.1 | Confident | 76.2 | Confident | 75 Ų | 75 | 115 Ų | 115 | 35% | 0.35 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.3 | -43.2 | 175.1 | -77.2 | -174.9 | 177.4 | 0 | 0 | 111.7 | R84 V88 K89 F94 R95 T96 | R84-E92 IonicContact CZ-OE1 3.07Å; R84-E92 IonicContact CZ-OE2 2.74Å; R84-E92 VanDerWaalsContact CZ-OE2 3.3Å; R84-E92 VanDerWaalsContact NH1-CD 3.31Å; R84-E92 IonicContact NH1-OE1 3.35Å; R84-E92 PolarHBondContact NH1-OE1 3.04Å; R84-E92 IonicContact NH1-OE2 2.63Å; R84-E92 PolarHBondContact NH1-OE2 3.25Å; R84-E92 VanDerWaalsContact NH1-OE2 3.16Å; R84-E92 IonicContact NH2-OE1 2.66Å; R84-E92 IonicContact NH2-OE2 3.11Å; R84-E92 PolarHBondContact NH2-OE2 2.83Å; V88-E92 PolarHBondContact O-N 3.24Å; K89-E92 PolarHBondContact O-N 2.99Å; E92-F94 VanDerWaalsContact C-N 3.28Å; E92-F94 PolarHBondContact O-N 3.1Å; E92-R95 PolarHBondContact O-N 2.85Å; E92-T96 WeakPolarHBondContact O-CB 3.48Å; E92-T96 VanDerWaalsContact O-CG2 3.28Å; E92-T96 WeakPolarHBondContact O-CG2 3.35Å; E92-T96 PolarHBondContact O-N 2.76Å; E92-T96 PolarHBondContact O-OG1 2.95Å |
| 93 | V | 81.7 | Confident | 75.5 | Confident | 91 Ų | 91 | 120.3 Ų | 120.3 | 55% | 0.552 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.7 | -39.5 | 172.6 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | K89 S97 | K89-V93 VanDerWaalsContact O-CG2 3.27Å; K89-V93 WeakPolarHBondContact O-CG2 3.49Å; K89-V93 PolarHBondContact O-N 2.85Å; V93-S97 WeakPolarHBondContact O-CB 3.35Å; V93-S97 PolarHBondContact O-N 3.12Å; V93-S97 PolarHBondContact O-OG 2.79Å |
| 94 | F | 75.6 | Confident | 74.8 | Confident | 81 Ų | 81 | 115.9 Ų | 115.9 | 36% | 0.355 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.7 | -36.9 | 177.6 | -167.6 | -90.4 | 0 | 0 | 0 | 112.6 | Q90 L91 E92 W100 V102 | Q90-F94 VanDerWaalsContact O-CB 3.29Å; Q90-F94 WeakPolarHBondContact O-CB 3.5Å; Q90-F94 PolarHBondContact O-N 3.12Å; L91-F94 PolarHBondContact O-N 2.92Å; E92-F94 VanDerWaalsContact C-N 3.28Å; E92-F94 PolarHBondContact O-N 3.1Å; F94-W100 HydrophobicContact CD2-CB 4.05Å; F94-W100 AromaticContact CD2-CD2 3.98Å; F94-W100 HydrophobicContact CD2-CD2 3.98Å; F94-W100 HydrophobicContact CD2-CE3 4.39Å; F94-W100 AromaticContact CD2-CG 3.81Å; F94-W100 HydrophobicContact CD2-CG 3.81Å; F94-W100 HydrophobicContact CE1-CB 4.31Å; F94-W100 HydrophobicContact CE2-CB 3.68Å; F94-W100 AromaticContact CE2-CD2 3.54Å; F94-W100 HydrophobicContact CE2-CD2 3.54Å; F94-W100 AromaticContact CE2-CE3 3.54Å; F94-W100 HydrophobicContact CE2-CE3 3.54Å; F94-W100 AromaticContact CE2-CG 3.61Å; F94-W100 HydrophobicContact CE2-CG 3.61Å; F94-W100 HydrophobicContact CE2-CZ3 4.34Å; F94-W100 HydrophobicContact CZ-CB 3.82Å; F94-W100 HydrophobicContact CZ-CD2 4.41Å; F94-W100 HydrophobicContact CZ-CE3 4.25Å; F94-W100 HydrophobicContact CZ-CG 4.26Å; F94-V102 HydrophobicContact CE1-CG2 4.3Å |
| 95 | R | 76.6 | Confident | 73.5 | Confident | 205 Ų | 205 | 114 Ų | 114 | 77% | 0.774 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -77.6 | -33.1 | 178.1 | -73 | 174.6 | 177.1 | 178.5 | -0.4 | 113.5 | L91 E92 | L91-R95 WeakPolarHBondContact O-CB 3.31Å; L91-R95 VanDerWaalsContact O-CG 3.3Å; L91-R95 WeakPolarHBondContact O-CG 3.31Å; L91-R95 PolarHBondContact O-N 3.28Å; E92-R95 PolarHBondContact O-N 2.85Å |
| 96 | T | 78.4 | Confident | 71.5 | Confident | 108 Ų | 108 | 116.4 Ų | 116.4 | 66% | 0.663 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -94.3 | -19 | -174.7 | 56.2 | 0 | 0 | 0 | 0 | 113.4 | E92 | E92-T96 WeakPolarHBondContact O-CB 3.48Å; E92-T96 VanDerWaalsContact O-CG2 3.28Å; E92-T96 WeakPolarHBondContact O-CG2 3.35Å; E92-T96 PolarHBondContact O-N 2.76Å; E92-T96 PolarHBondContact O-OG1 2.95Å |
| 97 | S | 79.4 | Confident | 70.1 | Confident | 28 Ų | 28 | 119.9 Ų | 119.9 | 20% | 0.196 | 61% | 0.612 | C | S | . | * | trans | -84.7 | 123.4 | 177.5 | 62.7 | 0 | 0 | 0 | 0 | 111.2 | V93 R99 W100 | V93-S97 WeakPolarHBondContact O-CB 3.35Å; V93-S97 PolarHBondContact O-N 3.12Å; V93-S97 PolarHBondContact O-OG 2.79Å; S97-R99 PolarHBondContact O-N 2.87Å; S97-W100 PolarHBondContact O-N 2.75Å | ||
| 98 | N | 77.3 | Confident | 68.7 | Low | 171 Ų | 171 | 120 Ų | 120 | 91% | 0.914 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 6.6 | 169.3 | -81.3 | 38.4 | 0 | 0 | 0 | 114.1 | ||
| 99 | R | 75.1 | Confident | 67 | Low | 217 Ų | 217 | 128.8 Ų | 128.8 | 82% | 0.819 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -12.4 | -178 | -65.3 | -176.9 | 62.4 | -167.9 | -2.6 | 113 | S97 | S97-R99 PolarHBondContact O-N 2.87Š|
| 100 | W | 67.3 | Low | 64.8 | Low | 151 Ų | 151 | 135.2 Ų | 135.2 | 57% | 0.572 | 68% | 0.675 | S | S | * | * | trans | -128.9 | 122.6 | -177.4 | -58.2 | 88.5 | 0 | 0 | 0 | 109.6 | F94 S97 | F94-W100 HydrophobicContact CD2-CB 4.05Å; F94-W100 AromaticContact CD2-CD2 3.98Å; F94-W100 HydrophobicContact CD2-CD2 3.98Å; F94-W100 HydrophobicContact CD2-CE3 4.39Å; F94-W100 AromaticContact CD2-CG 3.81Å; F94-W100 HydrophobicContact CD2-CG 3.81Å; F94-W100 HydrophobicContact CE1-CB 4.31Å; F94-W100 HydrophobicContact CE2-CB 3.68Å; F94-W100 AromaticContact CE2-CD2 3.54Å; F94-W100 HydrophobicContact CE2-CD2 3.54Å; F94-W100 AromaticContact CE2-CE3 3.54Å; F94-W100 HydrophobicContact CE2-CE3 3.54Å; F94-W100 AromaticContact CE2-CG 3.61Å; F94-W100 HydrophobicContact CE2-CG 3.61Å; F94-W100 HydrophobicContact CE2-CZ3 4.34Å; F94-W100 HydrophobicContact CZ-CB 3.82Å; F94-W100 HydrophobicContact CZ-CD2 4.41Å; F94-W100 HydrophobicContact CZ-CE3 4.25Å; F94-W100 HydrophobicContact CZ-CG 4.26Å; S97-W100 PolarHBondContact O-N 2.75Å | ||
| 101 | K | 71.5 | Confident | 63.1 | Low | 183 Ų | 183 | 137.2 Ų | 137.2 | 80% | 0.796 | 68% | 0.684 | S | S | * | * | trans | -96.5 | 133 | 168.5 | -72.3 | -166.1 | 172.2 | -167.8 | 0 | 108.7 | V103 | K101-V103 PolarHBondContact O-N 3.2Š| ||
| 102 | V | 71.8 | Confident | 61.1 | Low | 93 Ų | 93 | 142.3 Ų | 142.3 | 56% | 0.564 | 71% | 0.706 | S | S | * | * | trans | -72.7 | 112 | 173.3 | 173.6 | 0 | 0 | 0 | 0 | 107.8 | F94 G104 | F94-V102 HydrophobicContact CE1-CG2 4.3Å; V102-G104 PolarHBondContact O-N 3.37Å | ||
| 103 | V | 49.3 | Very low | 59.2 | Low | 149 Ų | 149 | 147.7 Ų | 147.7 | 90% | 0.903 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 115.2 | 175.7 | 179.5 | 0 | 0 | 0 | 0 | 108.3 | K101 | K101-V103 PolarHBondContact O-N 3.2Š|
| 104 | G | 57.7 | Low | 56.9 | Low | 76 Ų | 76 | 152.1 Ų | 152.1 | 78% | 0.784 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 117.7 | 6.2 | 179 | 0 | 0 | 0 | 0 | 0 | 116.1 | V102 | V102-G104 PolarHBondContact O-N 3.37Š|
| 105 | A | 51.8 | Low | 55.1 | Low | 68 Ų | 68 | 157.4 Ų | 157.4 | 56% | 0.562 | 77% | 0.771 | S | S | * | * | trans | -94.2 | -5.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 106 | D | 43.3 | Very low | 52.9 | Low | 135 Ų | 135 | 155 Ų | 155 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 52.7 | -173.5 | -59.5 | -29.4 | 0 | 0 | 0 | 112 | ||
| 107 | E | 47.7 | Very low | 50.8 | Low | 184 Ų | 184 | 158.9 Ų | 158.9 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | -9.1 | 160.1 | -80.6 | -170.5 | 168 | 0 | 0 | 113.7 | ||
| 108 | D | 45.2 | Very low | 48.3 | Very low | 154 Ų | 154 | 161 Ų | 161 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -145.8 | 67.6 | 178 | -65.8 | -56.8 | 0 | 0 | 0 | 112.6 | ||
| 109 | R | 39.8 | Very low | 46.1 | Very low | 241 Ų | 241 | 158.4 Ų | 158.4 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -167.4 | 95.8 | 152.4 | -122.3 | 177.7 | 176.6 | 108.9 | -2.2 | 111 | ||||
| 110 | E | 36.3 | Very low | 44 | Very low | 196 Ų | 196 | 156.6 Ų | 156.6 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -64.9 | 145.2 | 164.2 | -69.7 | 178.5 | 161.5 | 0 | 0 | 110.3 | ||||
| 111 | E | 42.6 | Very low | 42.3 | Very low | 183 Ų | 183 | 157.5 Ų | 157.5 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | trans | -64.9 | 138.6 | -175.6 | -60.3 | 164.3 | 160.4 | 0 | 0 | 112.2 | ||||
| 112 | E | 34.2 | Very low | 40.3 | Very low | 199 Ų | 199 | 154.9 Ų | 154.9 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | trans | -140.6 | 108 | 140.9 | -76.3 | -165.3 | 167.5 | 0 | 0 | 108.3 | ||||
| 113 | E | 41 | Very low | 38.7 | Very low | 188 Ų | 188 | 157.9 Ų | 157.9 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | trans | -77.5 | 125 | 155 | -69.2 | -172.8 | 162.5 | 0 | 0 | 107.5 | ||||
| 114 | E | 32.8 | Very low | 38.6 | Very low | 185 Ų | 185 | 156.1 Ų | 156.1 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -143.7 | 129.9 | 147.9 | -85.4 | -138.4 | 160.1 | 0 | 0 | 110.8 | ||||
| 115 | E | 38.6 | Very low | 37.4 | Very low | 192 Ų | 192 | 158.2 Ų | 158.2 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | trans | -73.3 | 127 | 159.4 | -63.9 | -176.3 | 153.4 | 0 | 0 | 108.9 | ||||
| 116 | D | 29.8 | Very low | 36.3 | Very low | 154 Ų | 154 | 161.9 Ų | 161.9 | 82% | 0.824 | 83% | 0.831 | S | S | * | * | trans | -156.7 | 153.9 | 143.3 | -155.7 | 12.6 | 0 | 0 | 0 | 113 | ||||
| 117 | K | 34.3 | Very low | 35.9 | Very low | 189 Ų | 189 | 160.1 Ų | 160.1 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | trans | -71 | 163 | -170.6 | -61.5 | -159.9 | 175.3 | -169.8 | 0 | 114.2 | ||||
| 118 | G | 28.3 | Very low | 35 | Very low | 74 Ų | 74 | 156.9 Ų | 156.9 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | trans | -67.3 | 156.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 119 | S | 30 | Very low | 34.3 | Very low | 115 Ų | 115 | 158.4 Ų | 158.4 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | -178.5 | 138.4 | 123.1 | 53.2 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 120 | E | 30.7 | Very low | 34 | Very low | 179 Ų | 179 | 154.5 Ų | 154.5 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | trans | 16.7 | 133.7 | 150.4 | -67.4 | -178.5 | 152.4 | 0 | 0 | 122.3 | ||||
| 121 | H | 32.2 | Very low | 33.6 | Very low | 170 Ų | 170 | 156 Ų | 156 | 79% | 0.787 | 82% | 0.819 | S | S | * | * | trans | 47.1 | 123.3 | 137.8 | -95.7 | -44.9 | 0 | 0 | 0 | 119.5 | ||||
| 122 | T | 29.1 | Very low | 34.2 | Very low | 129 Ų | 129 | 152.3 Ų | 152.3 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | 177.5 | 128.8 | 103.7 | 32.7 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 123 | D | 38.8 | Very low | 33.9 | Very low | 155 Ų | 155 | 149.8 Ų | 149.8 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | trans | -78.9 | 150.2 | 149.2 | -72.5 | -51.7 | 0 | 0 | 0 | 108.2 | ||||
| 124 | P | 46.7 | Very low | 33.5 | Very low | 112 Ų | 112 | 146 Ų | 146 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | -153.2 | 135.8 | 104.9 | 33.9 | -13.9 | 0 | 0 | 0 | 118.1 | |||||
| 125 | V | 31.9 | Very low | 33.5 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | 46.1 | 126 | 119 | -170 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 126 | V | 29.9 | Very low | 33.3 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | trans | -146.1 | 105.1 | 133.1 | -177.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 127 | S | 33.5 | Very low | 33.5 | Very low | 98 Ų | 98 | 143 Ų | 143 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | 89.3 | 114.8 | 57.6 | -150.2 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 128 | S | 29.3 | Very low | 33.5 | Very low | 116 Ų | 116 | 138 Ų | 138 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | -172.1 | 133.2 | 156.2 | -71.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 129 | K | 30.9 | Very low | 34 | Very low | 186 Ų | 186 | 141.7 Ų | 141.7 | 81% | 0.809 | 77% | 0.772 | S | S | * | * | cis | -172.6 | 152.2 | -3.6 | -169.9 | 118.6 | 174 | -177.7 | 0 | 105.9 | ||||
| 130 | I | 32.4 | Very low | 34.2 | Very low | 158 Ų | 158 | 146 Ų | 146 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 91.7 | 126.7 | 155.2 | -39.4 | -171.9 | 0 | 0 | 0 | 119.4 | ||||
| 131 | R | 27.8 | Very low | 34.2 | Very low | 227 Ų | 227 | 140.7 Ų | 140.7 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | trans | -126.4 | -171.6 | -178.2 | -100.2 | -171.5 | -179 | -143 | 2.1 | 106.5 | ||||
| 132 | P | 57.1 | Low | 34.2 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | cis | -140.9 | -179.7 | -39 | 37.1 | -19.3 | 0 | 0 | 0 | 113.5 | ||||
| 133 | N | 27.6 | Very low | 34.6 | Very low | 145 Ų | 145 | 141 Ų | 141 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | -165.3 | 132.5 | 129.6 | 54.1 | -1 | 0 | 0 | 0 | 114.5 | |||||
| 134 | S | 32 | Very low | 34.3 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | 39.1 | 144.1 | 144.2 | 68.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 135 | S | 31.9 | Very low | 33.6 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | cis | -175.8 | 142.2 | 20 | 33.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 136 | E | 35 | Very low | 33.7 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | 45.2 | 129.6 | 138.4 | -70.5 | -148 | 110 | 0 | 0 | 126.2 | ||||
| 137 | R | 33.3 | Very low | 34.9 | Very low | 198 Ų | 198 | 138.1 Ų | 138.1 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | 101.8 | 117.4 | 120.8 | -99.1 | 177 | 166.5 | -108.3 | -2.4 | 122.7 | |||||
| 138 | S | 34.4 | Very low | 35 | Very low | 83 Ų | 83 | 139.5 Ų | 139.5 | 58% | 0.58 | 77% | 0.766 | S | S | * | * | 65.2 | 143.6 | 125.1 | -77.5 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 139 | L | 39.3 | Very low | 35.2 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | cis | -175.9 | 168.2 | 4 | -107.7 | 167.6 | 0 | 0 | 0 | 109.5 | ||||
| 140 | K | 35 | Very low | 35.3 | Very low | 205 Ų | 205 | 137.8 Ų | 137.8 | 89% | 0.891 | 76% | 0.76 | S | S | * | * | trans | 85.2 | 133.2 | 163 | -76.5 | 171.2 | 171.2 | 176.4 | 0 | 117.7 | ||||
| 141 | G | 30.3 | Very low | 35.6 | Very low | 69 Ų | 69 | 139 Ų | 139 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | cis | 169.7 | 156.5 | -0.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 142 | N | 32.6 | Very low | 35.8 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | trans | 72 | 112.7 | 166.1 | -80.5 | 24.7 | 0 | 0 | 0 | 120.1 | ||||
| 143 | K | 36.9 | Very low | 34.6 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 70% | 0.7 | 77% | 0.768 | S | S | * | * | 77.7 | 131.8 | 63.1 | -78.5 | -176.7 | 165.2 | -162.9 | 0 | 111.7 | |||||
| 144 | H | 33.1 | Very low | 34.7 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | cis | -159.3 | 161.1 | 3 | -80.5 | -70.1 | 0 | 0 | 0 | 103.7 | ||||
| 145 | G | 31.6 | Very low | 35.3 | Very low | 69 Ų | 69 | 143.7 Ų | 143.7 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | cis | 131.1 | 93.3 | 26 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 146 | S | 34.1 | Very low | 35.9 | Very low | 125 Ų | 125 | 144.9 Ų | 144.9 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | 55.1 | 160.1 | 138 | -69.6 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 147 | P | 55.9 | Low | 36 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | -110.3 | 170.6 | -155.7 | 41.1 | -30.5 | 0 | 0 | 0 | 114.4 | ||||
| 148 | T | 33.9 | Very low | 36.2 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | -176.8 | 135.4 | 146.6 | 43.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 149 | T | 35.2 | Very low | 36.6 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | 56.1 | 119 | 137.7 | 67.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 150 | N | 31.7 | Very low | 37 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | 168.5 | 143.7 | 100.6 | -100.4 | -28.5 | 0 | 0 | 0 | 114.9 | |||||
| 151 | K | 39 | Very low | 37.7 | Very low | 185 Ų | 185 | 134.3 Ų | 134.3 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -30.7 | 139 | 169.4 | -65.3 | 153.2 | 167.9 | 170.8 | 0 | 118.7 | ||||
| 152 | R | 31.4 | Very low | 38.2 | Very low | 234 Ų | 234 | 142.3 Ų | 142.3 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | 166.2 | 145.2 | 102.2 | -83.7 | -172.5 | -174.9 | -154 | -0.1 | 112.7 | |||||
| 153 | H | 33 | Very low | 38.5 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | trans | -8.5 | 133.5 | 169.2 | -67.6 | -87.4 | 0 | 0 | 0 | 121.1 | ||||
| 154 | D | 29.9 | Very low | 38.5 | Very low | 162 Ų | 162 | 146 Ų | 146 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | -173.4 | 137.9 | 104.2 | -125.8 | -17.9 | 0 | 0 | 0 | 110.8 | |||||
| 155 | S | 43.6 | Very low | 38.7 | Very low | 109 Ų | 109 | 148.4 Ų | 148.4 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -94.2 | 157.3 | 171 | -61.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 156 | P | 44.8 | Very low | 38.7 | Very low | 129 Ų | 129 | 152.8 Ų | 152.8 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | -144.2 | 146.4 | 111.5 | 29 | -10 | 0 | 0 | 0 | 117.1 | |||||
| 157 | D | 36.5 | Very low | 38.6 | Very low | 135 Ų | 135 | 153.8 Ų | 153.8 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -46 | 141.6 | 161.4 | 173.5 | 21.9 | 0 | 0 | 0 | 114.8 | S159 | D157-S159 PolarHBondContact OD1-N 3.09Å; D157-S159 PolarHBondContact OD1-OG 2.73Å; D157-S159 VanDerWaalsContact OD1-OG 3.11Å | ||
| 158 | A | 39 | Very low | 37.8 | Very low | 104 Ų | 104 | 153.9 Ų | 153.9 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -124 | 81.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 159 | S | 41.5 | Very low | 38.3 | Very low | 89 Ų | 89 | 154 Ų | 154 | 62% | 0.622 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -101 | 146.1 | 166.5 | -67.5 | 0 | 0 | 0 | 0 | 110.9 | D157 | D157-S159 PolarHBondContact OD1-N 3.09Å; D157-S159 PolarHBondContact OD1-OG 2.73Å; D157-S159 VanDerWaalsContact OD1-OG 3.11Å |
| 160 | P | 47.8 | Very low | 38.9 | Very low | 118 Ų | 118 | 155.2 Ų | 155.2 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 147.2 | -170.7 | 31.4 | -34 | 0 | 0 | 0 | 112.8 | R162 | P160-R162 PolarHBondContact O-N 3.21Š|
| 161 | P | 50.8 | Low | 39.2 | Very low | 137 Ų | 137 | 152.6 Ų | 152.6 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 128.1 | -170.2 | 30.7 | -32.7 | 0 | 0 | 0 | 113.1 | ||
| 162 | R | 41 | Very low | 39.4 | Very low | 237 Ų | 237 | 149 Ų | 149 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | trans | -108 | 125.6 | 153.2 | -70.8 | -176.4 | -178.7 | -157.6 | 1.2 | 109.1 | P160 | P160-R162 PolarHBondContact O-N 3.21Š| ||
| 163 | R | 39.1 | Very low | 40.3 | Very low | 228 Ų | 228 | 143.4 Ų | 143.4 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -151.3 | 111.7 | 148.8 | -71.8 | -170.8 | 65.8 | -166.8 | -2.5 | 108 | ||||
| 164 | I | 36.1 | Very low | 41.1 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | 84.1 | 129 | 81.3 | -66.5 | 162.7 | 0 | 0 | 0 | 113 | |||||
| 165 | R | 36.5 | Very low | 41.7 | Very low | 218 Ų | 218 | 143.9 Ų | 143.9 | 82% | 0.823 | 80% | 0.795 | S | S | * | * | trans | -70.7 | 156.4 | -171.8 | -58.2 | 166.7 | 175.7 | 165.3 | -2.4 | 113.6 | ||||
| 166 | H | 33.2 | Very low | 41.4 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | 178.9 | 147.1 | 104.3 | -99.7 | -78.7 | 0 | 0 | 0 | 115.3 | |||||
| 167 | D | 30.2 | Very low | 41.1 | Very low | 146 Ų | 146 | 147.6 Ų | 147.6 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | 86.5 | 123.7 | 153.4 | -62.3 | -8.4 | 0 | 0 | 0 | 123.3 | ||||
| 168 | S | 40.8 | Very low | 41 | Very low | 114 Ų | 114 | 151.3 Ų | 151.3 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -68.2 | 161.8 | -178.8 | -48.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 169 | P | 42.9 | Very low | 40.7 | Very low | 128 Ų | 128 | 153.2 Ų | 153.2 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | -131.6 | 143.5 | 113 | 28 | -13.5 | 0 | 0 | 0 | 114.3 | |||||
| 170 | D | 47.3 | Very low | 40.1 | Very low | 141 Ų | 141 | 155 Ų | 155 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -52.8 | 132.2 | 165 | 175.2 | 25.3 | 0 | 0 | 0 | 112.8 | S172 | D170-S172 PolarHBondContact OD1-N 2.74Š| ||
| 171 | A | 39.5 | Very low | 39.8 | Very low | 96 Ų | 96 | 154.7 Ų | 154.7 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | -156.4 | 72.9 | 163 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 172 | S | 43.4 | Very low | 39.5 | Very low | 108 Ų | 108 | 153.9 Ų | 153.9 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -79.5 | 141.9 | 160.5 | -59.8 | 0 | 0 | 0 | 0 | 110.8 | D170 | D170-S172 PolarHBondContact OD1-N 2.74Š| ||
| 173 | P | 49.2 | Very low | 39.3 | Very low | 117 Ų | 117 | 150 Ų | 150 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | -149.1 | 166.5 | 132.6 | 39.2 | -23.7 | 0 | 0 | 0 | 114.1 | ||||
| 174 | P | 51 | Low | 39.7 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | -127.8 | 167.1 | -57.7 | 34.8 | -18.4 | 0 | 0 | 0 | 112.4 | |||||
| 175 | R | 41 | Very low | 39.9 | Very low | 235 Ų | 235 | 143.1 Ų | 143.1 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | -67.2 | 134.6 | 165.2 | -68.9 | 179 | -179.5 | -139.5 | -0.6 | 110.8 | ||||
| 176 | K | 37.8 | Very low | 40.3 | Very low | 207 Ų | 207 | 138.1 Ų | 138.1 | 90% | 0.9 | 77% | 0.774 | S | S | * | * | trans | -135.2 | 146.1 | 147.2 | -81.7 | -167.4 | 177.6 | -177.5 | 0 | 110.8 | ||||
| 177 | V | 38.9 | Very low | 41.1 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 66% | 0.661 | 78% | 0.776 | S | S | * | * | trans | -119.2 | 138.8 | -166.3 | 164.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 178 | R | 34.9 | Very low | 41.9 | Very low | 213 Ų | 213 | 141.2 Ų | 141.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 68.6 | 144.2 | 162 | -69.3 | 166.5 | -166.7 | -177.3 | 2 | 116.8 | ||||
| 179 | H | 31.7 | Very low | 41.6 | Very low | 144 Ų | 144 | 145.8 Ų | 145.8 | 67% | 0.667 | 79% | 0.789 | S | S | * | * | cis | -155.1 | 158.2 | 29.3 | -107.2 | -74.9 | 0 | 0 | 0 | 112.2 | ||||
| 180 | D | 29.9 | Very low | 41.4 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 67% | 0.674 | 79% | 0.786 | S | S | * | * | trans | 54.4 | 107.7 | 140.5 | -55.7 | -22.8 | 0 | 0 | 0 | 123.9 | ||||
| 181 | S | 40.8 | Very low | 40.8 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | 50.8 | 166 | 127 | -51.4 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 182 | P | 44.3 | Very low | 40.4 | Very low | 119 Ų | 119 | 152.4 Ų | 152.4 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | cis | -129.6 | 156.5 | -3.1 | 37.3 | -20.1 | 0 | 0 | 0 | 114 | ||||
| 183 | D | 37.1 | Very low | 39.7 | Very low | 157 Ų | 157 | 153.8 Ų | 153.8 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | -129.8 | 106.7 | 154.9 | -159.4 | 8.3 | 0 | 0 | 0 | 112.2 | ||||
| 184 | V | 47.1 | Very low | 39 | Very low | 114 Ų | 114 | 153.5 Ų | 153.5 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | 3.7 | 105.3 | 153.9 | -167.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 185 | S | 39.9 | Very low | 38.9 | Very low | 122 Ų | 122 | 153.8 Ų | 153.8 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -159.5 | 113.7 | 144.1 | -79.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 186 | P | 45.6 | Very low | 38.6 | Very low | 114 Ų | 114 | 149.7 Ų | 149.7 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | trans | -126.7 | 170.2 | 162.3 | 42.5 | -30 | 0 | 0 | 0 | 111.5 | ||||
| 187 | P | 50 | Low | 38.6 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | -132.1 | 177.5 | -70.1 | 32.2 | -13 | 0 | 0 | 0 | 112 | |||||
| 188 | R | 47 | Very low | 38.5 | Very low | 250 Ų | 250 | 145.4 Ų | 145.4 | 94% | 0.943 | 78% | 0.78 | S | S | * | * | trans | -58.4 | 136.2 | 166.7 | -71.3 | 178.9 | 179.2 | -131.7 | -0.8 | 111.4 | ||||
| 189 | K | 35.1 | Very low | 39 | Very low | 210 Ų | 210 | 140.9 Ų | 140.9 | 91% | 0.913 | 78% | 0.778 | S | S | * | * | trans | -142.2 | 142.8 | 154.4 | -120.7 | 178.2 | -179 | -177.2 | 0 | 111.5 | ||||
| 190 | T | 39 | Very low | 39.5 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -85.7 | 147.5 | 179.6 | 47.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 191 | R | 34.1 | Very low | 39.7 | Very low | 222 Ų | 222 | 144.4 Ų | 144.4 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | 77.8 | 126.5 | 143.4 | -79.9 | -175.7 | -175.8 | 175.8 | 1.8 | 122.4 | ||||
| 192 | H | 30.7 | Very low | 39.4 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | 104.1 | 129.7 | 141.9 | -75.3 | -64.2 | 0 | 0 | 0 | 122.3 | ||||
| 193 | D | 29.2 | Very low | 39 | Very low | 138 Ų | 138 | 149.8 Ų | 149.8 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | trans | 60.8 | 119 | 154.4 | -67.6 | -18.8 | 0 | 0 | 0 | 121.1 | ||||
| 194 | S | 34.1 | Very low | 39 | Very low | 111 Ų | 111 | 148 Ų | 148 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | -177.4 | -173.7 | 94.5 | -57.9 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 195 | P | 49.2 | Very low | 38.4 | Very low | 123 Ų | 123 | 146.2 Ų | 146.2 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | -110.4 | -178.4 | -124.5 | 19.3 | 7.4 | 0 | 0 | 0 | 112.5 | |||||
| 196 | D | 33.8 | Very low | 38.3 | Very low | 149 Ų | 149 | 149.5 Ų | 149.5 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | 123.1 | 139.5 | 133.6 | -150.5 | 17 | 0 | 0 | 0 | 118.3 | ||||
| 197 | V | 38.6 | Very low | 37.9 | Very low | 111 Ų | 111 | 151.9 Ų | 151.9 | 67% | 0.673 | 80% | 0.799 | S | S | * | * | trans | 68.7 | 90.4 | 162 | -147.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 198 | S | 35.7 | Very low | 37 | Very low | 114 Ų | 114 | 157 Ų | 157 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 139.9 | 150.2 | -61.6 | 0 | 0 | 0 | 0 | 111 | ||
| 199 | P | 45.3 | Very low | 36.4 | Very low | 118 Ų | 118 | 155 Ų | 155 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 142.3 | 157.7 | 27.4 | -18.8 | 0 | 0 | 0 | 112.2 | ||
| 200 | P | 43 | Very low | 36.3 | Very low | 121 Ų | 121 | 149.1 Ų | 149.1 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 151.7 | -165.9 | 33.8 | -35.4 | 0 | 0 | 0 | 114.3 | ||
| 201 | R | 35.2 | Very low | 36 | Very low | 224 Ų | 224 | 152.4 Ų | 152.4 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 127.8 | 172 | -137.7 | 173.2 | -172.5 | -113 | 1.7 | 109.8 | ||
| 202 | Q | 34.6 | Very low | 36 | Very low | 177 Ų | 177 | 147.3 Ų | 147.3 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -137.5 | 113 | 162.1 | -75.4 | -75.7 | -29.4 | 0 | 0 | 108.7 | ||||
| 203 | H | 35.2 | Very low | 36.3 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 78% | 0.778 | 80% | 0.803 | S | S | * | * | trans | -115.8 | 125.9 | 159.7 | -88.7 | -67.2 | 0 | 0 | 0 | 108.8 | ||||
| 204 | S | 36.4 | Very low | 36.4 | Very low | 119 Ų | 119 | 149.7 Ų | 149.7 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -64.5 | 156.2 | 168.4 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 205 | G | 34.7 | Very low | 36.5 | Very low | 77 Ų | 77 | 149.3 Ų | 149.3 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | 126 | 69.2 | 139.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 206 | K | 38.3 | Very low | 35.7 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | 9.7 | 137.2 | 136.4 | -96.5 | 167.3 | 179.5 | 169.1 | 0 | 122.1 | ||||
| 207 | Q | 36.2 | Very low | 36.4 | Very low | 164 Ų | 164 | 147 Ų | 147 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | trans | 86.5 | 134.2 | 138.5 | -59.5 | -90 | -47.2 | 0 | 0 | 116.4 | ||||
| 208 | R | 32.4 | Very low | 36.1 | Very low | 228 Ų | 228 | 146.5 Ų | 146.5 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | cis | -153.5 | 154.6 | 20.4 | -61.5 | 175.2 | 83.6 | 172.3 | -0.1 | 112.9 | ||||
| 209 | K | 33.6 | Very low | 36 | Very low | 207 Ų | 207 | 152.3 Ų | 152.3 | 90% | 0.9 | 80% | 0.804 | S | S | * | * | trans | -14.2 | 140.8 | 159.2 | -70.8 | 176.1 | 168.8 | 179.8 | 0 | 119.7 | ||||
| 210 | A | 32.3 | Very low | 35.3 | Very low | 87 Ų | 87 | 151.1 Ų | 151.1 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | 178.9 | 133.1 | 94.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 211 | Q | 34.5 | Very low | 34.8 | Very low | 196 Ų | 196 | 153.5 Ų | 153.5 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | 57.3 | 132.8 | 149.5 | -57.2 | -173.7 | -20.9 | 0 | 0 | 118.1 | ||||
| 212 | S | 33.1 | Very low | 34.6 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | cis | -157.3 | 148.9 | 30.8 | 49 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 213 | K | 36 | Very low | 34.5 | Very low | 200 Ų | 200 | 147.5 Ų | 147.5 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | trans | -71 | 137.1 | 160.8 | -60.4 | 173.1 | 175.5 | -178.3 | 0 | 107.8 | ||||
| 214 | D | 32.7 | Very low | 34.6 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | 176 | 132.3 | 93.8 | -142.2 | -12.2 | 0 | 0 | 0 | 111.9 | |||||
| 215 | S | 36.4 | Very low | 34.5 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | 47.7 | 117.7 | 145.7 | -62.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 216 | S | 31.8 | Very low | 34.5 | Very low | 113 Ų | 113 | 152.2 Ų | 152.2 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -34.4 | 178.7 | 149 | -43.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 217 | P | 48.8 | Very low | 34.2 | Very low | 112 Ų | 112 | 154.8 Ų | 154.8 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | cis | -150.9 | 168.2 | 16.3 | 42 | -19.4 | 0 | 0 | 0 | 119.9 | ||||
| 218 | S | 32.5 | Very low | 34.1 | Very low | 99 Ų | 99 | 152.3 Ų | 152.3 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | 28.9 | 129.8 | 139.1 | 76.5 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 219 | R | 32.4 | Very low | 35 | Very low | 237 Ų | 237 | 147.3 Ų | 147.3 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | 56.1 | 118.8 | 122.8 | -78.6 | 179.5 | 158.7 | 171.3 | -5.5 | 121.1 | |||||
| 220 | S | 30.6 | Very low | 35.3 | Very low | 92 Ų | 92 | 142 Ų | 142 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | 83.6 | 112 | 116.2 | 176.2 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 221 | K | 33.3 | Very low | 35.4 | Very low | 172 Ų | 172 | 144.3 Ų | 144.3 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 94.9 | 118.2 | 133 | -76.7 | 178.2 | -174.7 | -175.7 | 0 | 121.9 | ||||
| 222 | H | 30 | Very low | 35.6 | Very low | 162 Ų | 162 | 142.6 Ų | 142.6 | 75% | 0.75 | 76% | 0.758 | S | S | * | * | 107.7 | 140.6 | 123.8 | -75.8 | 1.7 | 0 | 0 | 0 | 120.8 | |||||
| 223 | S | 32.9 | Very low | 35.6 | Very low | 112 Ų | 112 | 147.3 Ų | 147.3 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | 81.4 | 142.3 | 153.7 | -154 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 224 | S | 37.1 | Very low | 35.9 | Very low | 99 Ų | 99 | 143 Ų | 143 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | cis | -170.1 | 135 | -8.2 | 35.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 225 | N | 34.6 | Very low | 37.2 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | trans | 43 | 122.3 | 132.7 | -147.1 | 13.3 | 0 | 0 | 0 | 121.1 | ||||
| 226 | R | 34.5 | Very low | 37.1 | Very low | 219 Ų | 219 | 144.4 Ų | 144.4 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | 155.8 | 120 | 114.1 | -84.5 | -178 | -168.8 | -143.2 | 3.9 | 112.9 | |||||
| 227 | R | 31.9 | Very low | 37.3 | Very low | 245 Ų | 245 | 142.4 Ų | 142.4 | 93% | 0.925 | 74% | 0.743 | S | S | * | * | 161.1 | 116.2 | 114.2 | -96.8 | -179.5 | 172.3 | -145 | -1.8 | 112.4 | |||||
| 228 | S | 34.3 | Very low | 37 | Very low | 112 Ų | 112 | 145.6 Ų | 145.6 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | -79.6 | -178.6 | 161 | -43.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 229 | P | 51.9 | Low | 37.2 | Very low | 123 Ų | 123 | 151.3 Ų | 151.3 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | -136.6 | 148.2 | 59.6 | 26 | -2.8 | 0 | 0 | 0 | 114.1 | |||||
| 230 | D | 38.8 | Very low | 37.7 | Very low | 96 Ų | 96 | 145.8 Ų | 145.8 | 51% | 0.513 | 74% | 0.744 | S | S | . | * | 80.2 | 114.2 | 56.7 | -161.2 | 23.5 | 0 | 0 | 0 | 115.1 | R232 | D230-R232 WeakPolarHBondContact OD1-CG 3.47Å; D230-R232 IonicContact OD1-NE 3.74Å; D230-R232 IonicContact OD2-CZ 3.36Å; D230-R232 IonicContact OD2-NE 2.88Å; D230-R232 PolarHBondContact OD2-NE 3.48Å; D230-R232 IonicContact OD2-NH2 2.94Å; D230-R232 PolarHBondContact OD2-NH2 3.12Å | |||
| 231 | V | 35.3 | Very low | 38.1 | Very low | 135 Ų | 135 | 149.3 Ų | 149.3 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -164.8 | 95.9 | 133.4 | -178.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 232 | R | 39.2 | Very low | 38.2 | Very low | 161 Ų | 161 | 147 Ų | 147 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | 68.3 | 140.8 | 87.8 | -66.4 | -176.6 | -172.6 | -118.8 | -8 | 115.2 | D230 | D230-R232 WeakPolarHBondContact OD1-CG 3.47Å; D230-R232 IonicContact OD1-NE 3.74Å; D230-R232 IonicContact OD2-CZ 3.36Å; D230-R232 IonicContact OD2-NE 2.88Å; D230-R232 PolarHBondContact OD2-NE 3.48Å; D230-R232 IonicContact OD2-NH2 2.94Å; D230-R232 PolarHBondContact OD2-NH2 3.12Å | |||
| 233 | R | 33.5 | Very low | 38.3 | Very low | 212 Ų | 212 | 151.2 Ų | 151.2 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | cis | -167.4 | 149.4 | 5.9 | -124.6 | 171.7 | 179.7 | -141.2 | -2.5 | 110 | ||||
| 234 | S | 40.4 | Very low | 38.6 | Very low | 109 Ų | 109 | 154.2 Ų | 154.2 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | -73.3 | -156.7 | 179.7 | -37.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 235 | P | 61 | Low | 38.4 | Very low | 97 Ų | 97 | 156.4 Ų | 156.4 | 63% | 0.63 | 76% | 0.761 | S | S | * | * | cis | -150.4 | 179.9 | 13.7 | 35.3 | -8 | 0 | 0 | 0 | 116 | ||||
| 236 | H | 33.6 | Very low | 38.5 | Very low | 180 Ų | 180 | 154.7 Ų | 154.7 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | 166.2 | 162 | 77.1 | -98.5 | -27.6 | 0 | 0 | 0 | 106.2 | |||||
| 237 | A | 37.1 | Very low | 38.5 | Very low | 72 Ų | 72 | 151 Ų | 151 | 60% | 0.595 | 76% | 0.757 | S | S | * | * | cis | 178.8 | 134.2 | -13.5 | 0 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 238 | K | 42.4 | Very low | 38.8 | Very low | 178 Ų | 178 | 144.4 Ų | 144.4 | 77% | 0.774 | 75% | 0.749 | S | S | * | * | 151.1 | 126.1 | 99.3 | -82.4 | -162.5 | -177 | 172.6 | 0 | 106.2 | |||||
| 239 | R | 35.9 | Very low | 39.2 | Very low | 219 Ų | 219 | 146 Ų | 146 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | 61.4 | 125.7 | 112.2 | -82 | 169 | 65.3 | -179.6 | -0.4 | 113.9 | |||||
| 240 | T | 42.8 | Very low | 39 | Very low | 121 Ų | 121 | 149.6 Ų | 149.6 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | cis | -163.4 | 131.9 | 26.2 | 30.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 241 | Q | 39.3 | Very low | 39.3 | Very low | 167 Ų | 167 | 149.5 Ų | 149.5 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | 20.4 | 138.8 | 107.9 | -68.8 | -152.1 | -22.1 | 0 | 0 | 116.2 | |||||
| 242 | N | 34.7 | Very low | 39.8 | Very low | 123 Ų | 123 | 148.8 Ų | 148.8 | 66% | 0.658 | 76% | 0.759 | S | S | * | * | cis | -172.6 | 148 | 5.3 | -105.8 | -10.4 | 0 | 0 | 0 | 104.6 | ||||
| 243 | R | 33.4 | Very low | 40 | Very low | 250 Ų | 250 | 147.3 Ų | 147.3 | 94% | 0.943 | 77% | 0.77 | S | S | * | * | 166.2 | 125 | 122.8 | -89.2 | 167.6 | -172.5 | 179.7 | 2.3 | 111 | |||||
| 244 | H | 39 | Very low | 40.3 | Very low | 175 Ų | 175 | 148.9 Ų | 148.9 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -60.2 | 145.5 | 165.9 | -99.8 | -95.5 | 0 | 0 | 0 | 110.8 | ||||
| 245 | D | 32.3 | Very low | 40.5 | Very low | 145 Ų | 145 | 153.6 Ų | 153.6 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | -175.6 | 138 | 108.1 | -85.4 | -32.2 | 0 | 0 | 0 | 111.4 | |||||
| 246 | S | 36.4 | Very low | 39.5 | Very low | 109 Ų | 109 | 158.3 Ų | 158.3 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | 44.5 | 133.6 | 147.1 | -55.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 247 | D | 35 | Very low | 40.2 | Very low | 143 Ų | 143 | 155.7 Ų | 155.7 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | trans | 110.7 | 112.8 | 133.4 | -121.9 | -17.6 | 0 | 0 | 0 | 118.5 | ||||
| 248 | S | 38.8 | Very low | 40.5 | Very low | 106 Ų | 106 | 159.1 Ų | 159.1 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | 10.2 | 109.5 | 140.4 | -41 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 249 | D | 42.2 | Very low | 40.2 | Very low | 145 Ų | 145 | 159.4 Ų | 159.4 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | -164.5 | 114.4 | 124.2 | -138.5 | -23.8 | 0 | 0 | 0 | 111.4 | |||||
| 250 | Q | 48.1 | Very low | 40 | Very low | 199 Ų | 199 | 159.6 Ų | 159.6 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | trans | -96.6 | 89.7 | 167.7 | -85.1 | -106 | -32.1 | 0 | 0 | 107.2 | ||||
| 251 | S | 44.4 | Very low | 39.7 | Very low | 93 Ų | 93 | 162.2 Ų | 162.2 | 65% | 0.65 | 81% | 0.812 | S | S | * | * | trans | -139.1 | 130.6 | 167.1 | -73.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 252 | P | 46.3 | Very low | 39.3 | Very low | 120 Ų | 120 | 159 Ų | 159 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 151.8 | -178.7 | 27.9 | -31.7 | 0 | 0 | 0 | 113.1 | R254 | P252-R254 PolarHBondContact O-N 2.77Š|
| 253 | P | 43.5 | Very low | 39.4 | Very low | 130 Ų | 130 | 158.4 Ų | 158.4 | 84% | 0.844 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 126 | -162.4 | 27.4 | -34.7 | 0 | 0 | 0 | 114.4 | ||
| 254 | R | 39.7 | Very low | 39.3 | Very low | 245 Ų | 245 | 153.4 Ų | 153.4 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 120 | 164.5 | -75.6 | -177.8 | 174.5 | -160.4 | -1.8 | 110.4 | P252 | P252-R254 PolarHBondContact O-N 2.77Š|
| 255 | K | 43.6 | Very low | 39 | Very low | 209 Ų | 209 | 149 Ų | 149 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 126.5 | 168.1 | -72.2 | -176 | 176.1 | -179.9 | 0 | 110 | ||
| 256 | K | 41.9 | Very low | 39.3 | Very low | 196 Ų | 196 | 148.6 Ų | 148.6 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 145.1 | 165.8 | -68.5 | -174.5 | 177.5 | -178.9 | 0 | 109.9 | ||
| 257 | P | 46.8 | Very low | 39.4 | Very low | 125 Ų | 125 | 151.5 Ų | 151.5 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 144.2 | 162.6 | 34 | -28.6 | 0 | 0 | 0 | 110.5 | ||
| 258 | V | 43.3 | Very low | 39.7 | Very low | 144 Ų | 144 | 149.9 Ų | 149.9 | 87% | 0.873 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 127.4 | 172.1 | -165.7 | 0 | 0 | 0 | 0 | 108.7 | ||
| 259 | K | 36 | Very low | 39.9 | Very low | 183 Ų | 183 | 150.7 Ų | 150.7 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 151 | 174.5 | -68.3 | 174.4 | 165.5 | -177.1 | 0 | 112.1 | ||
| 260 | R | 33.5 | Very low | 40 | Very low | 224 Ų | 224 | 150 Ų | 150 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | 153 | 109.2 | 115 | -83.2 | -174.2 | 175.5 | -172 | -3.2 | 110.6 | |||||
| 261 | E | 34.6 | Very low | 40 | Very low | 176 Ų | 176 | 152 Ų | 152 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | 83.4 | 104.6 | 87.3 | -74.6 | -71.5 | 170.4 | 0 | 0 | 112.6 | |||||
| 262 | A | 31.6 | Very low | 39.6 | Very low | 99 Ų | 99 | 159.7 Ų | 159.7 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -164.1 | 104.6 | 146.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 263 | S | 36.5 | Very low | 39.2 | Very low | 111 Ų | 111 | 165.6 Ų | 165.6 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | trans | 12.8 | 138.8 | 145.7 | -55.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 264 | D | 31.6 | Very low | 39.6 | Very low | 144 Ų | 144 | 165.3 Ų | 165.3 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | 102 | 106.1 | 129.9 | -121 | -11 | 0 | 0 | 0 | 119.6 | |||||
| 265 | S | 33.2 | Very low | 39.8 | Very low | 84 Ų | 84 | 163.7 Ų | 163.7 | 59% | 0.587 | 82% | 0.824 | S | S | * | * | trans | 59.2 | 116.8 | 130.5 | -68.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 266 | N | 39.4 | Very low | 39.4 | Very low | 136 Ų | 136 | 157.1 Ų | 157.1 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | 87.5 | 126.2 | 129.7 | -68.4 | -28.8 | 0 | 0 | 0 | 121.1 | |||||
| 267 | Q | 37.1 | Very low | 39.3 | Very low | 170 Ų | 170 | 159.4 Ų | 159.4 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | 85.1 | 100.3 | 136.1 | -69.6 | 167.1 | -6.4 | 0 | 0 | 119.8 | ||||
| 268 | S | 40.9 | Very low | 38.8 | Very low | 108 Ų | 108 | 163.1 Ų | 163.1 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | trans | 80.6 | 132.5 | 139.3 | -53 | 0 | 0 | 0 | 0 | 120 | ||||
| 269 | P | 43.2 | Very low | 38.3 | Very low | 124 Ų | 124 | 159.8 Ų | 159.8 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 129.8 | 171.9 | 29 | -30.3 | 0 | 0 | 0 | 111.8 | R271 | P269-R271 PolarHBondContact O-N 2.84Š|
| 270 | P | 45.5 | Very low | 38.3 | Very low | 130 Ų | 130 | 157.3 Ų | 157.3 | 84% | 0.844 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 121.2 | -178.4 | 28.5 | -31.6 | 0 | 0 | 0 | 112.8 | ||
| 271 | R | 47 | Very low | 38.4 | Very low | 241 Ų | 241 | 154 Ų | 154 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -64 | 132.1 | 157 | -85.5 | 173.4 | 161.9 | 172.5 | -3.6 | 110.7 | P269 | P269-R271 PolarHBondContact O-N 2.84Š|
| 272 | R | 36.9 | Very low | 38.7 | Very low | 254 Ų | 254 | 149.6 Ų | 149.6 | 96% | 0.958 | 81% | 0.813 | S | S | * | * | trans | -146.1 | 134.4 | 142.1 | -77.7 | -155.3 | 166.6 | -157.6 | -3.7 | 113.2 | ||||
| 273 | R | 38.2 | Very low | 39.4 | Very low | 244 Ų | 244 | 151.5 Ų | 151.5 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -88.7 | 163.9 | 179.3 | -65.9 | 172.8 | 88.1 | 172.8 | 6.7 | 111.5 | ||||
| 274 | P | 50.6 | Low | 39.8 | Very low | 124 Ų | 124 | 156 Ų | 156 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | trans | -102.6 | 158 | -172.5 | 38.4 | -31 | 0 | 0 | 0 | 114.8 | ||||
| 275 | K | 43.7 | Very low | 40.6 | Very low | 211 Ų | 211 | 153.6 Ų | 153.6 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | trans | -142.8 | 117.6 | 151.5 | -75.6 | -167.4 | 174.2 | -175.3 | 0 | 104.6 | ||||
| 276 | G | 36.2 | Very low | 41.3 | Very low | 71 Ų | 71 | 155 Ų | 155 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | 79.2 | 116.4 | 57.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 277 | R | 38.9 | Very low | 41.8 | Very low | 244 Ų | 244 | 154.9 Ų | 154.9 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | cis | -161.3 | 151.4 | 16 | -75.7 | 173.4 | 166.2 | -121.9 | -2.2 | 109.5 | ||||
| 278 | Q | 36 | Very low | 42.1 | Very low | 203 Ų | 203 | 158.3 Ų | 158.3 | 95% | 0.949 | 83% | 0.833 | S | S | * | * | trans | 155.9 | 119.7 | 141.1 | -134.4 | 121.7 | -4.9 | 0 | 0 | 105.4 | ||||
| 279 | G | 33.1 | Very low | 42.5 | Very low | 74 Ų | 74 | 162.7 Ų | 162.7 | 76% | 0.763 | 83% | 0.832 | S | S | * | * | cis | 165.7 | 113.2 | 0.9 | 0 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 280 | S | 36.1 | Very low | 42.7 | Very low | 132 Ų | 132 | 162.5 Ų | 162.5 | 92% | 0.923 | 83% | 0.831 | S | S | * | * | trans | -167.5 | 143 | 158.5 | -150.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 281 | D | 36.4 | Very low | 42.4 | Very low | 154 Ų | 154 | 166.4 Ų | 166.4 | 82% | 0.824 | 83% | 0.829 | S | S | * | * | trans | -88.1 | 158.3 | -146.5 | -165.3 | 9.7 | 0 | 0 | 0 | 113.8 | ||||
| 282 | S | 39.6 | Very low | 41.9 | Very low | 83 Ų | 83 | 161.3 Ų | 161.3 | 58% | 0.58 | 83% | 0.83 | S | S | * | * | trans | -94.3 | 172.6 | -162.5 | -34.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 283 | D | 46.5 | Very low | 41.9 | Very low | 140 Ų | 140 | 152.3 Ų | 152.3 | 75% | 0.749 | 82% | 0.817 | S | S | * | * | trans | 78.2 | 110.8 | 140.1 | -60.2 | -25.2 | 0 | 0 | 0 | 120.5 | S285 | D283-S285 PolarHBondContact O-N 3.19Š| ||
| 284 | Q | 45.6 | Very low | 42.4 | Very low | 205 Ų | 205 | 149.4 Ų | 149.4 | 96% | 0.958 | 81% | 0.811 | S | S | * | * | trans | -62 | 80.8 | 153 | -64.8 | -132.7 | -27.2 | 0 | 0 | 111.1 | ||||
| 285 | S | 48.4 | Very low | 41.6 | Very low | 93 Ų | 93 | 149.9 Ų | 149.9 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | trans | -118.9 | 146.4 | 163.9 | -73.7 | 0 | 0 | 0 | 0 | 111 | D283 | D283-S285 PolarHBondContact O-N 3.19Š| ||
| 286 | P | 48.6 | Very low | 41.5 | Very low | 114 Ų | 114 | 145 Ų | 145 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 145 | -177.5 | -16.2 | 29 | 0 | 0 | 0 | 112.1 | R288 | P286-R288 PolarHBondContact O-N 3.46Š|
| 287 | P | 48.7 | Very low | 42.3 | Very low | 133 Ų | 133 | 150 Ų | 150 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 118.1 | -166.3 | 25.3 | -34 | 0 | 0 | 0 | 112.8 | ||
| 288 | R | 44.7 | Very low | 42.5 | Very low | 243 Ų | 243 | 141.1 Ų | 141.1 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 118.4 | 163.6 | -70.3 | -173.8 | 178.7 | -171.6 | 0.5 | 109.4 | P286 | P286-R288 PolarHBondContact O-N 3.46Š|
| 289 | R | 47.7 | Very low | 43.2 | Very low | 199 Ų | 199 | 138 Ų | 138 | 75% | 0.751 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 125.6 | 176 | -172.5 | -177.3 | -176.6 | -158.1 | 4.1 | 110 | ||
| 290 | P | 48 | Very low | 44.2 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 124.7 | 165.2 | 32.6 | -26.7 | 0 | 0 | 0 | 109.9 | ||
| 291 | R | 40.1 | Very low | 45.1 | Very low | 213 Ų | 213 | 139.9 Ų | 139.9 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -116.9 | 105 | 149.8 | -83.1 | -170.1 | 162.9 | -172.9 | -5.2 | 106.5 | ||||
| 292 | S | 36.6 | Very low | 46.2 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 93% | 0.93 | 77% | 0.766 | S | S | * | * | trans | -84.7 | 122 | 159.6 | 179.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 293 | G | 37.1 | Very low | 47 | Very low | 65 Ų | 65 | 139.9 Ų | 139.9 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | trans | 175.2 | 83.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 294 | K | 47.1 | Very low | 47.2 | Very low | 183 Ų | 183 | 144.9 Ų | 144.9 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | 48 | 104.2 | 129.9 | -157.2 | 80 | 176.6 | -175 | 0 | 115.2 | |||||
| 295 | D | 34 | Very low | 47.2 | Very low | 135 Ų | 135 | 146.7 Ų | 146.7 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | 152.4 | 127.9 | 128.2 | -75.6 | -38.6 | 0 | 0 | 0 | 112.1 | |||||
| 296 | S | 42.5 | Very low | 47.1 | Very low | 108 Ų | 108 | 148 Ų | 148 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | 68.7 | 126 | 140 | -52.5 | 0 | 0 | 0 | 0 | 120.6 | G298 | S296-G298 PolarHBondContact O-N 2.91Š| ||
| 297 | D | 51.9 | Low | 47.2 | Very low | 176 Ų | 176 | 144.9 Ų | 144.9 | 94% | 0.941 | 78% | 0.781 | S | S | * | * | trans | -28.2 | 126 | 157.8 | -70.2 | -51.9 | 0 | 0 | 0 | 113.9 | ||||
| 298 | G | 43.7 | Very low | 47 | Very low | 58 Ų | 58 | 143.8 Ų | 143.8 | 60% | 0.598 | 77% | 0.774 | S | S | * | * | trans | -161.8 | 76.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110 | S296 L300 | S296-G298 PolarHBondContact O-N 2.91Å; G298-L300 VanDerWaalsContact C-N 3.34Å; G298-L300 PolarHBondContact O-N 3.3Å | ||
| 299 | D | 51.1 | Low | 47.1 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | -54.3 | 97.7 | 162.6 | 179.5 | 8.5 | 0 | 0 | 0 | 108.8 | S301 | D299-S301 PolarHBondContact O-N 3.42Å; D299-S301 WeakPolarHBondContact OD1-CB 3.37Å; D299-S301 PolarHBondContact OD1-N 2.85Å; D299-S301 VanDerWaalsContact OD1-N 3.07Å; D299-S301 PolarHBondContact OD1-OG 3.3Å | ||
| 300 | L | 54.3 | Low | 47.7 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 88% | 0.88 | 76% | 0.762 | S | S | * | * | trans | -93.1 | 36 | 174.2 | -67.7 | 178 | 0 | 0 | 0 | 111.2 | G298 | G298-L300 VanDerWaalsContact C-N 3.34Å; G298-L300 PolarHBondContact O-N 3.3Å | ||
| 301 | S | 54.5 | Low | 48.4 | Very low | 77 Ų | 77 | 130.7 Ų | 130.7 | 54% | 0.538 | 75% | 0.746 | S | S | . | * | trans | -62.8 | 126.7 | 155.8 | -59 | 0 | 0 | 0 | 0 | 108 | D299 | D299-S301 PolarHBondContact O-N 3.42Å; D299-S301 WeakPolarHBondContact OD1-CB 3.37Å; D299-S301 PolarHBondContact OD1-N 2.85Å; D299-S301 VanDerWaalsContact OD1-N 3.07Å; D299-S301 PolarHBondContact OD1-OG 3.3Å | ||
| 302 | P | 60.3 | Low | 49.7 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | trans | -51.5 | 131.2 | 169.5 | -22.2 | 31.4 | 0 | 0 | 0 | 108.2 | R304 | P302-R304 PolarHBondContact O-N 3.45Š| ||
| 303 | P | 56.5 | Low | 51.4 | Low | 127 Ų | 127 | 124.3 Ų | 124.3 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | trans | -53.9 | 115.9 | -176.6 | 18.1 | -29.2 | 0 | 0 | 0 | 108.2 | R305 | P303-R305 PolarHBondContact O-N 2.89Š| ||
| 304 | R | 50.9 | Low | 53.2 | Low | 244 Ų | 244 | 126.7 Ų | 126.7 | 92% | 0.921 | 71% | 0.71 | S | S | * | * | trans | -60.5 | 95.6 | 167 | -74.2 | -177 | -175.6 | -120.9 | 1.8 | 105.2 | P302 S306 | P302-R304 PolarHBondContact O-N 3.45Å; R304-S306 VanDerWaalsContact C-N 3.33Å; R304-S306 PolarHBondContact O-N 2.85Å | ||
| 305 | R | 45.3 | Very low | 54.3 | Low | 243 Ų | 243 | 127.3 Ų | 127.3 | 92% | 0.917 | 72% | 0.721 | S | S | * | * | trans | -51.7 | 107.2 | 163.6 | -123.1 | 176.7 | 179.2 | -119.9 | 1.2 | 105 | P303 G307 | P303-R305 PolarHBondContact O-N 2.89Å; R305-G307 PolarHBondContact O-N 3.4Å | ||
| 306 | S | 46 | Very low | 55.8 | Low | 122 Ų | 122 | 125.1 Ų | 125.1 | 85% | 0.853 | 72% | 0.716 | S | S | * | * | trans | -65.9 | 70.2 | 161.6 | 41.7 | 0 | 0 | 0 | 0 | 107.4 | R304 | R304-S306 VanDerWaalsContact C-N 3.33Å; R304-S306 PolarHBondContact O-N 2.85Å | ||
| 307 | G | 50.5 | Low | 57.2 | Low | 47 Ų | 47 | 121.7 Ų | 121.7 | 49% | 0.485 | 70% | 0.698 | S | S | . | * | trans | -64.1 | 152.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | R305 S309 | R305-G307 PolarHBondContact O-N 3.4Å; G307-S309 PolarHBondContact O-N 3.37Å; G307-S309 VanDerWaalsContact O-N 3.12Å | ||
| 308 | P | 44.9 | Very low | 58.4 | Low | 111 Ų | 111 | 113.6 Ų | 113.6 | 72% | 0.721 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -53.1 | 125.4 | -177.5 | 23.6 | -33 | 0 | 0 | 0 | 108.8 | Q310 | P308-Q310 PolarHBondContact O-N 2.9Š|
| 309 | S | 46.6 | Very low | 60.1 | Low | 119 Ų | 119 | 115.6 Ų | 115.6 | 83% | 0.832 | 65% | 0.648 | S | S | * | * | trans | -28.3 | 96.4 | 173.6 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | G307 | G307-S309 PolarHBondContact O-N 3.37Å; G307-S309 VanDerWaalsContact O-N 3.12Å | ||
| 310 | Q | 58.8 | Low | 61.1 | Low | 123 Ų | 123 | 110.7 Ų | 110.7 | 58% | 0.575 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 118.7 | 163 | -66.7 | -67.3 | -54.7 | 0 | 0 | 103.4 | P308 | P308-Q310 PolarHBondContact O-N 2.9Š|
| 311 | G | 62.8 | Low | 62.1 | Low | 44 Ų | 44 | 105.9 Ų | 105.9 | 45% | 0.454 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -51.8 | 173.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R313 | G311-R313 PolarHBondContact O-N 3.5Š|
| 312 | P | 68 | Low | 62.9 | Low | 101 Ų | 101 | 111.4 Ų | 111.4 | 66% | 0.656 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 129.6 | -175.3 | 23.6 | -33.3 | 0 | 0 | 0 | 109.8 | A320 | P312-A320 HydrophobicContact CB-CB 4.12Å; P312-A320 HydrophobicContact CG-CB 4.49Å; P312-A320 WeakPolarHBondContact O-CA 3.46Å; P312-A320 VanDerWaalsContact O-CB 3.24Å; P312-A320 WeakPolarHBondContact O-CB 3.4Å; P312-A320 PolarHBondContact O-N 2.87Å |
| 313 | R | 72.8 | Confident | 63.3 | Low | 111 Ų | 111 | 108.4 Ų | 108.4 | 42% | 0.419 | 62% | 0.62 | S | S | . | * | B | Isolated β-bridge | trans | -115.6 | 147.7 | 177.4 | -74.7 | 177.6 | 178.5 | -98.3 | 0.3 | 109.1 | G311 G317 G318 | G311-R313 PolarHBondContact O-N 3.5Å; R313-G317 PolarHBondContact NH1-O 3.47Å; R313-G318 CarbonylContact C-O 3.39Å; R313-G318 WeakPolarHBondContact CA-O 3.25Å; R313-G318 WeakPolarHBondContact CB-O 3.24Å |
| 314 | M | 75.1 | Confident | 64.2 | Low | 115 Ų | 115 | 105.9 Ų | 105.9 | 57% | 0.567 | 61% | 0.605 | S | S | * | * | trans | -75.3 | 164.3 | 174.8 | -61.9 | -174.5 | 70.3 | 0 | 0 | 111 | S316 G317 G318 A320 | M314-S316 PolarHBondContact O-N 3.44Å; M314-S316 VanDerWaalsContact O-N 3.12Å; M314-G317 WeakPolarHBondContact O-CA 3.45Å; M314-G317 PolarHBondContact O-N 3.23Å; M314-G318 PolarHBondContact N-O 2.91Å; M314-A320 HydrophobicContact CG-CB 3.84Å | ||
| 315 | L | 70.1 | Confident | 65.3 | Low | 196 Ų | 196 | 100.3 Ų | 100.3 | 100% | 1.026 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -21.4 | 174 | -74.4 | 131.4 | 0 | 0 | 0 | 113.2 | G317 | L315-G317 PolarHBondContact O-N 3.29Š|
| 316 | S | 65.9 | Low | 67 | Low | 89 Ų | 89 | 94.5 Ų | 94.5 | 62% | 0.622 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -0.8 | 172.1 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | M314 G318 | M314-S316 PolarHBondContact O-N 3.44Å; M314-S316 VanDerWaalsContact O-N 3.12Å; S316-G318 VanDerWaalsContact C-N 3.31Å; S316-G318 PolarHBondContact O-N 3.15Å |
| 317 | G | 70.5 | Confident | 68.6 | Low | 36 Ų | 36 | 90.9 Ų | 90.9 | 37% | 0.371 | 55% | 0.552 | S | S | . | * | S | Bend | trans | 84.7 | -5.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R313 M314 L315 | R313-G317 PolarHBondContact NH1-O 3.47Å; M314-G317 WeakPolarHBondContact O-CA 3.45Å; M314-G317 PolarHBondContact O-N 3.23Å; L315-G317 PolarHBondContact O-N 3.29Å |
| 318 | G | 78.6 | Confident | 69.8 | Low | 7 Ų | 7 | 93 Ų | 93 | 7% | 0.072 | 55% | 0.552 | C | S | . | * | S | Bend | trans | -77.8 | 159.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R313 M314 S316 E331 | R313-G318 CarbonylContact C-O 3.39Å; R313-G318 WeakPolarHBondContact CA-O 3.25Å; R313-G318 WeakPolarHBondContact CB-O 3.24Å; M314-G318 PolarHBondContact N-O 2.91Å; S316-G318 VanDerWaalsContact C-N 3.31Å; S316-G318 PolarHBondContact O-N 3.15Å; G318-E331 WeakPolarHBondContact CA-OE1 3.26Å |
| 319 | K | 78.5 | Confident | 71.5 | Confident | 99 Ų | 99 | 94 Ų | 94 | 43% | 0.43 | 55% | 0.545 | S | S | . | . | B | Isolated β-bridge | trans | -67.9 | 129.3 | 176.5 | -68.3 | 174.4 | -179 | -179.6 | 0 | 110.9 | V323 V327 E331 | K319-V323 HydrophobicContact CB-CG2 4.38Å; K319-V327 HydrophobicContact CD-CG1 3.95Å; K319-E331 PolarHBondContact N-OE1 3.37Å; K319-E331 PolarHBondContact N-OE2 3.25Å |
| 320 | A | 72.3 | Confident | 73.2 | Confident | 35 Ų | 35 | 96 Ų | 96 | 29% | 0.289 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -96.4 | 137.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P312 M314 | P312-A320 HydrophobicContact CB-CB 4.12Å; P312-A320 HydrophobicContact CG-CB 4.49Å; P312-A320 WeakPolarHBondContact O-CA 3.46Å; P312-A320 VanDerWaalsContact O-CB 3.24Å; P312-A320 WeakPolarHBondContact O-CB 3.4Å; P312-A320 PolarHBondContact O-N 2.87Å; M314-A320 HydrophobicContact CG-CB 3.84Å |
| 321 | G | 75.8 | Confident | 74.3 | Confident | 66 Ų | 66 | 91.5 Ų | 91.5 | 68% | 0.68 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 129.4 | -173.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V323 | G321-V323 PolarHBondContact O-N 3.06Š|
| 322 | L | 69.8 | Low | 75.1 | Confident | 194 Ų | 194 | 96.1 Ų | 96.1 | 100% | 1.016 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -69.9 | 92.1 | 169 | -76.2 | 165 | 0 | 0 | 0 | 109.1 | ||
| 323 | V | 69.9 | Low | 75.8 | Confident | 47 Ų | 47 | 97.1 Ų | 97.1 | 29% | 0.285 | 52% | 0.523 | S | S | . | . | trans | -101.7 | 136.8 | -175.6 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | K319 G321 V327 L328 | K319-V323 HydrophobicContact CB-CG2 4.38Å; G321-V323 PolarHBondContact O-N 3.06Å; V323-V327 HydrophobicContact CG1-CB 3.52Å; V323-V327 HydrophobicContact CG1-CG1 3.48Å; V323-V327 VanDerWaalsContact CG1-CG1 3.48Å; V323-L328 HydrophobicContact CB-CD1 4.39Å; V323-L328 HydrophobicContact CG1-CD1 4.3Å | ||
| 324 | S | 75.6 | Confident | 76.2 | Confident | 75 Ų | 75 | 95.9 Ų | 95.9 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | trans | -65 | 144.5 | 175.6 | 47.8 | 0 | 0 | 0 | 0 | 111.7 | D326 V327 L328 | S324-D326 PolarHBondContact O-N 2.85Å; S324-D326 VanDerWaalsContact O-N 3.09Å; S324-V327 WeakPolarHBondContact O-CB 3.48Å; S324-V327 PolarHBondContact O-N 2.89Å; S324-V327 WeakPolarHBondContact OG-CG2 3.38Å; S324-L328 PolarHBondContact O-N 2.8Å | ||
| 325 | I | 74 | Confident | 76.4 | Confident | 127 Ų | 127 | 93.1 Ų | 93.1 | 65% | 0.651 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -52.6 | -36.8 | -174.7 | -72.8 | 165.2 | 0 | 0 | 0 | 112.6 | V327 L328 K329 | I325-V327 VanDerWaalsContact C-N 3.33Å; I325-V327 PolarHBondContact O-N 2.89Å; I325-L328 PolarHBondContact O-N 3.19Å; I325-K329 PolarHBondContact O-N 3.48Å |
| 326 | D | 80.6 | Confident | 77 | Confident | 121 Ų | 121 | 90.3 Ų | 90.3 | 65% | 0.647 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.9 | -31.7 | -179.7 | -60.8 | -33 | 0 | 0 | 0 | 113 | S324 K330 | S324-D326 PolarHBondContact O-N 2.85Å; S324-D326 VanDerWaalsContact O-N 3.09Å; D326-K330 WeakPolarHBondContact O-CB 3.4Å; D326-K330 PolarHBondContact O-N 3.45Å; D326-K330 VanDerWaalsContact O-N 3.08Å |
| 327 | V | 78.7 | Confident | 77.8 | Confident | 45 Ų | 45 | 94.8 Ų | 94.8 | 27% | 0.273 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -73.3 | -35.8 | 176.1 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | K319 V323 S324 I325 K330 E331 | K319-V327 HydrophobicContact CD-CG1 3.95Å; V323-V327 HydrophobicContact CG1-CB 3.52Å; V323-V327 HydrophobicContact CG1-CG1 3.48Å; V323-V327 VanDerWaalsContact CG1-CG1 3.48Å; S324-V327 WeakPolarHBondContact O-CB 3.48Å; S324-V327 PolarHBondContact O-N 2.89Å; S324-V327 WeakPolarHBondContact OG-CG2 3.38Å; I325-V327 VanDerWaalsContact C-N 3.33Å; I325-V327 PolarHBondContact O-N 2.89Å; V327-K330 PolarHBondContact O-N 3.15Å; V327-E331 VanDerWaalsContact O-CB 3.31Å; V327-E331 WeakPolarHBondContact O-CB 3.11Å; V327-E331 PolarHBondContact O-N 3.33Å |
| 328 | L | 76.6 | Confident | 78.2 | Confident | 92 Ų | 92 | 98.8 Ų | 98.8 | 48% | 0.482 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 175.7 | -140.8 | 87.7 | 0 | 0 | 0 | 111.8 | V323 S324 I325 E331 Q332 | V323-L328 HydrophobicContact CB-CD1 4.39Å; V323-L328 HydrophobicContact CG1-CD1 4.3Å; S324-L328 PolarHBondContact O-N 2.8Å; I325-L328 PolarHBondContact O-N 3.19Å; L328-E331 PolarHBondContact O-N 3.29Å; L328-Q332 WeakPolarHBondContact O-CB 3.43Å; L328-Q332 PolarHBondContact O-N 2.94Å |
| 329 | K | 80.4 | Confident | 78.2 | Confident | 131 Ų | 131 | 104.1 Ų | 104.1 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.9 | -45.1 | 175.1 | -78.8 | -178.1 | 178.9 | 175 | 0 | 111.8 | I325 E331 Q332 E333 | I325-K329 PolarHBondContact O-N 3.48Å; K329-E331 VanDerWaalsContact C-N 3.3Å; K329-E331 PolarHBondContact O-N 2.66Å; K329-Q332 PolarHBondContact O-N 3.37Å; K329-E333 WeakPolarHBondContact O-CB 3.3Å; K329-E333 PolarHBondContact O-N 3.45Å |
| 330 | K | 82.9 | Confident | 78.3 | Confident | 163 Ų | 163 | 105.7 Ų | 105.7 | 71% | 0.709 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.3 | -37 | 178.6 | -168.3 | 172.6 | -176.5 | 173.7 | 0 | 112 | D326 V327 E334 | D326-K330 WeakPolarHBondContact O-CB 3.4Å; D326-K330 PolarHBondContact O-N 3.45Å; D326-K330 VanDerWaalsContact O-N 3.08Å; V327-K330 PolarHBondContact O-N 3.15Å; K330-E334 VanDerWaalsContact O-CB 3.31Å; K330-E334 WeakPolarHBondContact O-CB 3.24Å; K330-E334 PolarHBondContact O-N 3.19Å |
| 331 | E | 80.5 | Confident | 78.8 | Confident | 28 Ų | 28 | 110.1 Ų | 110.1 | 13% | 0.131 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -70.8 | -41.1 | 176 | -177.4 | 161.5 | -121.4 | 0 | 0 | 112.6 | G318 K319 V327 L328 K329 E334 N335 | G318-E331 WeakPolarHBondContact CA-OE1 3.26Å; K319-E331 PolarHBondContact N-OE1 3.37Å; K319-E331 PolarHBondContact N-OE2 3.25Å; V327-E331 VanDerWaalsContact O-CB 3.31Å; V327-E331 WeakPolarHBondContact O-CB 3.11Å; V327-E331 PolarHBondContact O-N 3.33Å; L328-E331 PolarHBondContact O-N 3.29Å; K329-E331 VanDerWaalsContact C-N 3.3Å; K329-E331 PolarHBondContact O-N 2.66Å; E331-E334 PolarHBondContact O-N 3.47Å; E331-N335 PolarHBondContact O-N 3.1Å |
| 332 | Q | 79.6 | Confident | 78.8 | Confident | 140 Ų | 140 | 111 Ų | 111 | 65% | 0.654 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.5 | -45.4 | 172.1 | -101.4 | -170.1 | -27.2 | 0 | 0 | 112 | L328 K329 E334 N335 R336 | L328-Q332 WeakPolarHBondContact O-CB 3.43Å; L328-Q332 PolarHBondContact O-N 2.94Å; K329-Q332 PolarHBondContact O-N 3.37Å; Q332-E334 VanDerWaalsContact C-N 3.3Å; Q332-E334 PolarHBondContact O-N 2.86Å; Q332-N335 PolarHBondContact O-N 3.27Å; Q332-R336 WeakPolarHBondContact O-CB 3.38Å; Q332-R336 PolarHBondContact O-N 3.07Å |
| 333 | E | 82.7 | Confident | 79.2 | Confident | 123 Ų | 123 | 106.1 Ų | 106.1 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62 | -39.9 | 176.7 | -167.2 | 101.1 | -122.4 | 0 | 0 | 111.2 | K329 R336 R337 | K329-E333 WeakPolarHBondContact O-CB 3.3Å; K329-E333 PolarHBondContact O-N 3.45Å; E333-R336 PolarHBondContact O-N 2.92Å; E333-R337 WeakPolarHBondContact O-CB 3.47Å; E333-R337 PolarHBondContact O-N 3.01Å |
| 334 | E | 81.8 | Confident | 79.5 | Confident | 85 Ų | 85 | 107.4 Ų | 107.4 | 40% | 0.397 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 177 | -170.3 | 178.9 | 179.7 | 0 | 0 | 112.1 | K330 E331 Q332 R337 R338 | K330-E334 VanDerWaalsContact O-CB 3.31Å; K330-E334 WeakPolarHBondContact O-CB 3.24Å; K330-E334 PolarHBondContact O-N 3.19Å; E331-E334 PolarHBondContact O-N 3.47Å; Q332-E334 VanDerWaalsContact C-N 3.3Å; Q332-E334 PolarHBondContact O-N 2.86Å; E334-R337 WeakPolarHBondContact O-CB 3.24Å; E334-R337 PolarHBondContact O-N 3.47Å; E334-R338 VanDerWaalsContact O-CG 3.25Å; E334-R338 WeakPolarHBondContact O-CG 3.43Å; E334-R338 PolarHBondContact O-N 2.9Å; E334-R338 IonicContact OE1-CZ 3.49Å; E334-R338 IonicContact OE1-NE 3.54Å; E334-R338 IonicContact OE1-NH2 2.7Å; E334-R338 PolarHBondContact OE1-NH2 2.85Å |
| 335 | N | 79.5 | Confident | 79.4 | Confident | 57 Ų | 57 | 109.6 Ų | 109.6 | 31% | 0.305 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 173.4 | -86.6 | 0.2 | 0 | 0 | 0 | 111.6 | E331 Q332 R337 R338 E339 | E331-N335 PolarHBondContact O-N 3.1Å; Q332-N335 PolarHBondContact O-N 3.27Å; N335-R337 PolarHBondContact O-N 2.77Å; N335-R338 CarbonylContact O-C 3.59Å; N335-R338 WeakPolarHBondContact O-CB 3.34Å; N335-R338 PolarHBondContact O-N 2.85Å; N335-E339 WeakPolarHBondContact O-CB 3.45Å; N335-E339 WeakPolarHBondContact O-CG 3.09Å; N335-E339 PolarHBondContact O-N 3.4Å |
| 336 | R | 82.7 | Confident | 79.4 | Confident | 136 Ų | 136 | 108.1 Ų | 108.1 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -32.8 | 175.3 | -144.7 | 170.7 | 120.9 | -142.5 | 3.5 | 111.8 | Q332 E333 K340 | Q332-R336 WeakPolarHBondContact O-CB 3.38Å; Q332-R336 PolarHBondContact O-N 3.07Å; E333-R336 PolarHBondContact O-N 2.92Å; R336-K340 WeakPolarHBondContact O-CB 3.47Å; R336-K340 WeakPolarHBondContact O-CG 3.29Å; R336-K340 PolarHBondContact O-N 2.88Å |
| 337 | R | 82.8 | Confident | 79.2 | Confident | 184 Ų | 184 | 105.7 Ų | 105.7 | 69% | 0.694 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71 | -38.3 | 173.2 | -163.3 | 177.6 | 85.8 | 162.6 | 5.9 | 112.1 | E333 E334 N335 N341 | E333-R337 WeakPolarHBondContact O-CB 3.47Å; E333-R337 PolarHBondContact O-N 3.01Å; E334-R337 WeakPolarHBondContact O-CB 3.24Å; E334-R337 PolarHBondContact O-N 3.47Å; N335-R337 PolarHBondContact O-N 2.77Å; R337-N341 WeakPolarHBondContact O-CB 3.36Å; R337-N341 PolarHBondContact O-N 2.83Å |
| 338 | R | 79.3 | Confident | 78.9 | Confident | 119 Ų | 119 | 110.4 Ų | 110.4 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.4 | -41 | 175.4 | -70.5 | 167.6 | -176.6 | -164.2 | 2.7 | 111.7 | E334 N335 N341 N342 | E334-R338 VanDerWaalsContact O-CG 3.25Å; E334-R338 WeakPolarHBondContact O-CG 3.43Å; E334-R338 PolarHBondContact O-N 2.9Å; E334-R338 IonicContact OE1-CZ 3.49Å; E334-R338 IonicContact OE1-NE 3.54Å; E334-R338 IonicContact OE1-NH2 2.7Å; E334-R338 PolarHBondContact OE1-NH2 2.85Å; N335-R338 CarbonylContact O-C 3.59Å; N335-R338 WeakPolarHBondContact O-CB 3.34Å; N335-R338 PolarHBondContact O-N 2.85Å; R338-N341 PolarHBondContact O-N 3.28Å; R338-N342 WeakPolarHBondContact O-CB 3.33Å; R338-N342 PolarHBondContact O-N 3.37Å; R338-N342 PolarHBondContact O-ND2 3.37Å |
| 339 | E | 77.9 | Confident | 78.6 | Confident | 120 Ų | 120 | 110.2 Ų | 110.2 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.5 | -49.1 | 172.8 | -73.3 | 169.4 | -174.6 | 0 | 0 | 110.4 | N335 N341 N342 Q343 | N335-E339 WeakPolarHBondContact O-CB 3.45Å; N335-E339 WeakPolarHBondContact O-CG 3.09Å; N335-E339 PolarHBondContact O-N 3.4Å; E339-N341 PolarHBondContact O-N 2.72Å; E339-N342 CarbonylContact O-C 3.56Å; E339-N342 PolarHBondContact O-N 3.48Å; E339-Q343 VanDerWaalsContact O-CG 3.24Å; E339-Q343 WeakPolarHBondContact O-CG 3.44Å; E339-Q343 PolarHBondContact O-N 2.64Å |
| 340 | K | 81.9 | Confident | 78.2 | Confident | 131 Ų | 131 | 112.7 Ų | 112.7 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59 | -31.4 | 174.1 | -75.8 | 173.3 | -179.5 | -175.5 | 0 | 113.9 | R336 P344 | R336-K340 WeakPolarHBondContact O-CB 3.47Å; R336-K340 WeakPolarHBondContact O-CG 3.29Å; R336-K340 PolarHBondContact O-N 2.88Å; K340-P344 WeakPolarHBondContact O-CD 3.4Å |
| 341 | N | 80.9 | Confident | 77.6 | Confident | 129 Ų | 129 | 111 Ų | 111 | 69% | 0.69 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -80 | -27.7 | 176.5 | -164.5 | 18.5 | 0 | 0 | 0 | 112.6 | R337 R338 E339 P344 | R337-N341 WeakPolarHBondContact O-CB 3.36Å; R337-N341 PolarHBondContact O-N 2.83Å; R338-N341 PolarHBondContact O-N 3.28Å; E339-N341 PolarHBondContact O-N 2.72Å; N341-P344 WeakPolarHBondContact O-CD 3.35Å; N341-P344 WeakPolarHBondContact O-CG 3.23Å |
| 342 | N | 77.3 | Confident | 77.2 | Confident | 85 Ų | 85 | 112.8 Ų | 112.8 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -87.2 | -21.6 | 175.1 | -86.8 | -54.7 | 0 | 0 | 0 | 113.8 | R338 E339 L345 E346 | R338-N342 WeakPolarHBondContact O-CB 3.33Å; R338-N342 PolarHBondContact O-N 3.37Å; R338-N342 PolarHBondContact O-ND2 3.37Å; E339-N342 CarbonylContact O-C 3.56Å; E339-N342 PolarHBondContact O-N 3.48Å; N342-L345 WeakPolarHBondContact O-CA 3.16Å; N342-L345 WeakPolarHBondContact O-CB 3.49Å; N342-L345 PolarHBondContact O-N 2.94Å; N342-E346 PolarHBondContact O-N 2.86Å |
| 343 | Q | 76.8 | Confident | 76.7 | Confident | 91 Ų | 91 | 114.8 Ų | 114.8 | 43% | 0.425 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -45.8 | -51.3 | 173.5 | -85.8 | -83.4 | -23 | 0 | 0 | 114.1 | E339 L345 E346 D347 | E339-Q343 VanDerWaalsContact O-CG 3.24Å; E339-Q343 WeakPolarHBondContact O-CG 3.44Å; E339-Q343 PolarHBondContact O-N 2.64Å; Q343-L345 PolarHBondContact O-N 3.29Å; Q343-E346 PolarHBondContact O-N 3.47Å; Q343-E346 VanDerWaalsContact O-N 3.15Å; Q343-D347 PolarHBondContact O-N 3.29Å |
| 344 | P | 77.4 | Confident | 76.2 | Confident | 74 Ų | 74 | 114.5 Ų | 114.5 | 48% | 0.481 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.1 | -30.5 | 178.6 | 23.9 | -34.4 | 0 | 0 | 0 | 113 | K340 N341 E348 | K340-P344 WeakPolarHBondContact O-CD 3.4Å; N341-P344 WeakPolarHBondContact O-CD 3.35Å; N341-P344 WeakPolarHBondContact O-CG 3.23Å; P344-E348 WeakPolarHBondContact O-CB 3.44Å; P344-E348 PolarHBondContact O-N 3.17Å; P344-E348 VanDerWaalsContact O-N 3.11Å |
| 345 | L | 73.2 | Confident | 76 | Confident | 121 Ų | 121 | 113.9 Ų | 113.9 | 63% | 0.634 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -76.5 | -34.7 | 176.9 | -168 | 72.2 | 0 | 0 | 0 | 111.9 | N342 Q343 S349 | N342-L345 WeakPolarHBondContact O-CA 3.16Å; N342-L345 WeakPolarHBondContact O-CB 3.49Å; N342-L345 PolarHBondContact O-N 2.94Å; Q343-L345 PolarHBondContact O-N 3.29Å; L345-S349 VanDerWaalsContact O-CB 3.24Å; L345-S349 WeakPolarHBondContact O-CB 3.25Å; L345-S349 PolarHBondContact O-N 2.78Å |
| 346 | E | 75.1 | Confident | 75.8 | Confident | 95 Ų | 95 | 116.4 Ų | 116.4 | 44% | 0.444 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.4 | -40.9 | 173.5 | -75.5 | -171.5 | 164.7 | 0 | 0 | 111.9 | N342 Q343 S349 R350 | N342-E346 PolarHBondContact O-N 2.86Å; Q343-E346 PolarHBondContact O-N 3.47Å; Q343-E346 VanDerWaalsContact O-N 3.15Å; E346-S349 PolarHBondContact O-N 2.98Å; E346-R350 WeakPolarHBondContact O-CB 3.17Å; E346-R350 VanDerWaalsContact O-CG 3.26Å; E346-R350 WeakPolarHBondContact O-CG 3.34Å; E346-R350 PolarHBondContact O-N 2.98Å |
| 347 | D | 75.4 | Confident | 75.8 | Confident | 70 Ų | 70 | 116.9 Ų | 116.9 | 37% | 0.374 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.8 | -41.4 | 176.2 | -70.5 | -25 | 0 | 0 | 0 | 111.5 | Q343 S349 R350 N351 | Q343-D347 PolarHBondContact O-N 3.29Å; D347-S349 VanDerWaalsContact C-N 3.33Å; D347-S349 PolarHBondContact O-N 3.49Å; D347-R350 PolarHBondContact O-N 2.99Å; D347-N351 WeakPolarHBondContact O-CB 3.19Å; D347-N351 VanDerWaalsContact O-CG 3.28Å; D347-N351 PolarHBondContact O-N 3.21Å; D347-N351 VanDerWaalsContact O-N 3.09Å; D347-N351 PolarHBondContact O-ND2 3.08Å |
| 348 | E | 72.7 | Confident | 75.5 | Confident | 144 Ų | 144 | 110.6 Ų | 110.6 | 67% | 0.673 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.3 | -35.1 | 174 | -146.4 | 76.3 | -135.7 | 0 | 0 | 111.8 | P344 A352 | P344-E348 WeakPolarHBondContact O-CB 3.44Å; P344-E348 PolarHBondContact O-N 3.17Å; P344-E348 VanDerWaalsContact O-N 3.11Å; E348-A352 PolarHBondContact O-N 3.08Å; E348-A352 VanDerWaalsContact O-N 3.1Å |
| 349 | S | 68.9 | Low | 75.6 | Confident | 89 Ų | 89 | 115.9 Ų | 115.9 | 62% | 0.622 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -73 | -34.7 | 176.7 | -176.8 | 0 | 0 | 0 | 0 | 112.8 | L345 E346 D347 N351 | L345-S349 VanDerWaalsContact O-CB 3.24Å; L345-S349 WeakPolarHBondContact O-CB 3.25Å; L345-S349 PolarHBondContact O-N 2.78Å; E346-S349 PolarHBondContact O-N 2.98Å; D347-S349 VanDerWaalsContact C-N 3.33Å; D347-S349 PolarHBondContact O-N 3.49Å; S349-N351 VanDerWaalsContact C-N 3.34Å |
| 350 | R | 73.4 | Confident | 75.4 | Confident | 183 Ų | 183 | 114.8 Ų | 114.8 | 69% | 0.691 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71 | -32.9 | 176.2 | -76 | 171.6 | 179.7 | 178.6 | 2.7 | 111.7 | E346 D347 | E346-R350 WeakPolarHBondContact O-CB 3.17Å; E346-R350 VanDerWaalsContact O-CG 3.26Å; E346-R350 WeakPolarHBondContact O-CG 3.34Å; E346-R350 PolarHBondContact O-N 2.98Å; D347-R350 PolarHBondContact O-N 2.99Å |
| 351 | N | 69.3 | Low | 75 | Confident | 127 Ų | 127 | 110.8 Ų | 110.8 | 68% | 0.679 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -92.9 | 2.1 | 180 | -62.4 | -20.8 | 0 | 0 | 0 | 113.5 | D347 S349 Q353 | D347-N351 WeakPolarHBondContact O-CB 3.19Å; D347-N351 VanDerWaalsContact O-CG 3.28Å; D347-N351 PolarHBondContact O-N 3.21Å; D347-N351 VanDerWaalsContact O-N 3.09Å; D347-N351 PolarHBondContact O-ND2 3.08Å; S349-N351 VanDerWaalsContact C-N 3.34Å; N351-Q353 PolarHBondContact O-N 3.42Å; N351-Q353 VanDerWaalsContact O-N 3.12Å |
| 352 | A | 72 | Confident | 75.1 | Confident | 65 Ų | 65 | 112.1 Ų | 112.1 | 54% | 0.537 | 58% | 0.58 | S | S | . | * | trans | -67 | 110.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | E348 T354 | E348-A352 PolarHBondContact O-N 3.08Å; E348-A352 VanDerWaalsContact O-N 3.1Å; A352-T354 PolarHBondContact O-N 3.3Å | ||
| 353 | Q | 69.3 | Low | 75.1 | Confident | 182 Ų | 182 | 114.7 Ų | 114.7 | 85% | 0.85 | 59% | 0.588 | S | S | * | * | trans | -63.1 | 129.3 | 178.8 | -68.5 | -170.7 | -16.9 | 0 | 0 | 111.5 | N351 V355 | N351-Q353 PolarHBondContact O-N 3.42Å; N351-Q353 VanDerWaalsContact O-N 3.12Å; Q353-V355 PolarHBondContact O-N 3.32Å | ||
| 354 | T | 73.1 | Confident | 75 | Confident | 117 Ų | 117 | 115.4 Ų | 115.4 | 72% | 0.718 | 59% | 0.586 | S | S | * | * | trans | -70.6 | 111.1 | 176 | 36.4 | 0 | 0 | 0 | 0 | 110.2 | A352 F356 | A352-T354 PolarHBondContact O-N 3.3Å; T354-F356 WeakPolarHBondContact O-CD2 3.43Å; T354-F356 PolarHBondContact O-N 3.15Å | ||
| 355 | V | 76.9 | Confident | 74.9 | Confident | 73 Ų | 73 | 117.4 Ų | 117.4 | 44% | 0.442 | 59% | 0.593 | S | S | . | * | trans | -83.9 | 102.2 | 179.7 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | Q353 R357 K363 | Q353-V355 PolarHBondContact O-N 3.32Å; V355-R357 HydrophobicContact CG1-CG 4.22Å; V355-K363 HydrophobicContact CG1-CB 4.41Å; V355-K363 HydrophobicContact CG1-CD 4.01Å; V355-K363 HydrophobicContact CG1-CG 3.82Å | ||
| 356 | F | 74.7 | Confident | 74.8 | Confident | 109 Ų | 109 | 115.3 Ų | 115.3 | 48% | 0.478 | 58% | 0.582 | S | S | . | * | trans | -75 | 133.6 | 172.2 | -72.1 | -95.8 | 0 | 0 | 0 | 110.4 | T354 R364 L366 | T354-F356 WeakPolarHBondContact O-CD2 3.43Å; T354-F356 PolarHBondContact O-N 3.15Å; F356-R364 PolarHBondContact O-N 3.24Å; F356-L366 HydrophobicContact CB-CD1 4.15Å; F356-L366 HydrophobicContact CB-CD2 4.32Å; F356-L366 HydrophobicContact CB-CG 4.15Å; F356-L366 HydrophobicContact CD1-CD1 4.42Å; F356-L366 HydrophobicContact CD2-CD1 3.21Å; F356-L366 HydrophobicContact CD2-CG 4.12Å; F356-L366 HydrophobicContact CE2-CD1 3.59Å; F356-L366 HydrophobicContact CG-CD1 3.67Å; F356-L366 HydrophobicContact CG-CD2 4.37Å; F356-L366 HydrophobicContact CG-CG 4.2Å; F356-L366 HydrophobicContact CZ-CD1 4.35Å | ||
| 357 | R | 83.4 | Confident | 74.9 | Confident | 146 Ų | 146 | 116.5 Ų | 116.5 | 55% | 0.551 | 59% | 0.591 | S | S | * | * | B | Isolated β-bridge | trans | -127.8 | 145.6 | -179.6 | -68.4 | -179.4 | 176.4 | 82.5 | -7.6 | 110.4 | V355 K362 | V355-R357 HydrophobicContact CG1-CG 4.22Å; R357-K362 CarbonylContact C-O 3.56Å; R357-K362 VanDerWaalsContact CA-O 3.25Å; R357-K362 WeakPolarHBondContact CA-O 3.33Å |
| 358 | D | 77.4 | Confident | 75.1 | Confident | 53 Ų | 53 | 115.8 Ų | 115.8 | 28% | 0.283 | 59% | 0.592 | S | S | . | * | trans | -69.8 | 167.1 | 175.9 | -75.1 | 5.3 | 0 | 0 | 0 | 112 | S360 G361 K362 R364 | D358-S360 PolarHBondContact O-N 2.98Å; D358-G361 PolarHBondContact O-N 3.25Å; D358-K362 PolarHBondContact N-O 2.81Å; D358-R364 WeakPolarHBondContact OD1-CB 3.24Å; D358-R364 WeakPolarHBondContact OD1-CD 3.34Å; D358-R364 WeakPolarHBondContact OD1-CG 3.29Å; D358-R364 IonicContact OD1-CZ 2.89Å; D358-R364 VanDerWaalsContact OD1-CZ 3.3Å; D358-R364 IonicContact OD1-NE 3.52Å; D358-R364 PolarHBondContact OD1-NE 2.8Å; D358-R364 IonicContact OD1-NH1 2.83Å; D358-R364 PolarHBondContact OD1-NH1 3.33Å; D358-R364 IonicContact OD2-NH1 3.74Å | ||
| 359 | K | 80.3 | Confident | 75.5 | Confident | 229 Ų | 229 | 111.6 Ų | 111.6 | 100% | 0.996 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -14.1 | 171.7 | -61.4 | 174.7 | -178.4 | 178.4 | 0 | 113.3 | ||
| 360 | S | 74.6 | Confident | 76.2 | Confident | 97 Ų | 97 | 116.2 Ų | 116.2 | 68% | 0.678 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 1.9 | 174.8 | 59.2 | 0 | 0 | 0 | 0 | 114.2 | D358 | D358-S360 PolarHBondContact O-N 2.98Š|
| 361 | G | 73.6 | Confident | 76.6 | Confident | 48 Ų | 48 | 112.8 Ų | 112.8 | 50% | 0.495 | 57% | 0.568 | S | S | . | * | S | Bend | trans | 83.8 | 0.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | D358 | D358-G361 PolarHBondContact O-N 3.25Š|
| 362 | K | 81.4 | Confident | 77.3 | Confident | 157 Ų | 157 | 111.7 Ų | 111.7 | 68% | 0.683 | 56% | 0.559 | S | S | * | * | trans | -75.4 | 135.1 | 177.8 | -160.7 | 174.9 | -178.4 | -174.4 | 0 | 110.5 | R357 D358 R364 | R357-K362 CarbonylContact C-O 3.56Å; R357-K362 VanDerWaalsContact CA-O 3.25Å; R357-K362 WeakPolarHBondContact CA-O 3.33Å; D358-K362 PolarHBondContact N-O 2.81Å; K362-R364 PolarHBondContact O-N 3.39Å | ||
| 363 | K | 78.6 | Confident | 78 | Confident | 139 Ų | 139 | 114 Ų | 114 | 60% | 0.604 | 56% | 0.559 | S | S | * | * | B | Isolated β-bridge | trans | -61.3 | 131.1 | 175 | -63.8 | -174.5 | -179.1 | -177.4 | 0 | 109.3 | V355 | V355-K363 HydrophobicContact CG1-CB 4.41Å; V355-K363 HydrophobicContact CG1-CD 4.01Å; V355-K363 HydrophobicContact CG1-CG 3.82Å |
| 364 | R | 74 | Confident | 78.9 | Confident | 105 Ų | 105 | 115 Ų | 115 | 40% | 0.396 | 55% | 0.554 | S | S | . | * | trans | -106.6 | 118.4 | -178 | -148.1 | -172.6 | -170.3 | 117.9 | -3.7 | 107.8 | F356 D358 K362 L366 E369 | F356-R364 PolarHBondContact O-N 3.24Å; D358-R364 WeakPolarHBondContact OD1-CB 3.24Å; D358-R364 WeakPolarHBondContact OD1-CD 3.34Å; D358-R364 WeakPolarHBondContact OD1-CG 3.29Å; D358-R364 IonicContact OD1-CZ 2.89Å; D358-R364 VanDerWaalsContact OD1-CZ 3.3Å; D358-R364 IonicContact OD1-NE 3.52Å; D358-R364 PolarHBondContact OD1-NE 2.8Å; D358-R364 IonicContact OD1-NH1 2.83Å; D358-R364 PolarHBondContact OD1-NH1 3.33Å; D358-R364 IonicContact OD2-NH1 3.74Å; K362-R364 PolarHBondContact O-N 3.39Å; R364-L366 PolarHBondContact O-N 3.49Å; R364-L366 VanDerWaalsContact O-N 3.15Å; R364-E369 VanDerWaalsContact CD-OE2 3.29Å; R364-E369 WeakPolarHBondContact CD-OE2 3.29Å; R364-E369 IonicContact CZ-OE1 3.12Å; R364-E369 IonicContact CZ-OE2 2.71Å; R364-E369 IonicContact NE-OE1 2.8Å; R364-E369 PolarHBondContact NE-OE1 2.8Å; R364-E369 IonicContact NE-OE2 3.84Å; R364-E369 PolarHBondContact NE-OE2 3.06Å; R364-E369 IonicContact NH2-OE1 2.6Å; R364-E369 PolarHBondContact NH2-OE1 2.87Å; R364-E369 IonicContact NH2-OE2 3.72Å | ||
| 365 | D | 75.9 | Confident | 79.7 | Confident | 116 Ų | 116 | 115.9 Ų | 115.9 | 62% | 0.62 | 55% | 0.549 | S | S | * | . | trans | -82.9 | 91.1 | 177.8 | -65.9 | -29.7 | 0 | 0 | 0 | 108.5 | D367 S368 E369 | D365-D367 PolarHBondContact O-N 3.16Å; D365-S368 VanDerWaalsContact CB-OG 3.3Å; D365-S368 WeakPolarHBondContact CB-OG 3.29Å; D365-S368 PolarHBondContact O-N 2.88Å; D365-S368 VanDerWaalsContact O-N 3.09Å; D365-S368 PolarHBondContact O-OG 3.23Å; D365-E369 PolarHBondContact O-N 3.42Å | ||
| 366 | L | 71.4 | Confident | 80.3 | Confident | 78 Ų | 78 | 118.2 Ų | 118.2 | 41% | 0.408 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -55.3 | -36.2 | -175.3 | -72.3 | 177.1 | 0 | 0 | 0 | 113.3 | F356 R364 E369 R370 | F356-L366 HydrophobicContact CB-CD1 4.15Å; F356-L366 HydrophobicContact CB-CD2 4.32Å; F356-L366 HydrophobicContact CB-CG 4.15Å; F356-L366 HydrophobicContact CD1-CD1 4.42Å; F356-L366 HydrophobicContact CD2-CD1 3.21Å; F356-L366 HydrophobicContact CD2-CG 4.12Å; F356-L366 HydrophobicContact CE2-CD1 3.59Å; F356-L366 HydrophobicContact CG-CD1 3.67Å; F356-L366 HydrophobicContact CG-CD2 4.37Å; F356-L366 HydrophobicContact CG-CG 4.2Å; F356-L366 HydrophobicContact CZ-CD1 4.35Å; R364-L366 PolarHBondContact O-N 3.49Å; R364-L366 VanDerWaalsContact O-N 3.15Å; L366-E369 PolarHBondContact O-N 3.01Å; L366-R370 VanDerWaalsContact O-CB 3.29Å; L366-R370 WeakPolarHBondContact O-CB 3.34Å; L366-R370 PolarHBondContact O-N 3.36Å |
| 367 | D | 76.4 | Confident | 81.1 | Confident | 119 Ų | 119 | 115.8 Ų | 115.8 | 64% | 0.636 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.3 | -42.1 | 178.7 | -63.7 | -38.2 | 0 | 0 | 0 | 111.2 | D365 E369 R370 E371 | D365-D367 PolarHBondContact O-N 3.16Å; D367-E369 PolarHBondContact O-N 3.34Å; D367-R370 PolarHBondContact O-N 3.32Å; D367-E371 WeakPolarHBondContact O-CB 3.35Å; D367-E371 WeakPolarHBondContact O-CG 3.44Å; D367-E371 PolarHBondContact O-N 3.12Å |
| 368 | S | 79.3 | Confident | 81.5 | Confident | 56 Ų | 56 | 110.8 Ų | 110.8 | 39% | 0.392 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.8 | -37.6 | 176.2 | 76.3 | 0 | 0 | 0 | 0 | 112.3 | D365 E371 E372 | D365-S368 VanDerWaalsContact CB-OG 3.3Å; D365-S368 WeakPolarHBondContact CB-OG 3.29Å; D365-S368 PolarHBondContact O-N 2.88Å; D365-S368 VanDerWaalsContact O-N 3.09Å; D365-S368 PolarHBondContact O-OG 3.23Å; S368-E371 PolarHBondContact O-N 3.15Å; S368-E372 WeakPolarHBondContact O-CB 3.29Å; S368-E372 WeakPolarHBondContact O-CG 3.48Å; S368-E372 PolarHBondContact O-N 3.03Å |
| 369 | E | 82.4 | Confident | 82.2 | Confident | 56 Ų | 56 | 113.9 Ų | 113.9 | 26% | 0.262 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.8 | -38.8 | 176.9 | -172.9 | 171.1 | -154.8 | 0 | 0 | 111.2 | R364 D365 L366 D367 E372 Q373 | R364-E369 VanDerWaalsContact CD-OE2 3.29Å; R364-E369 WeakPolarHBondContact CD-OE2 3.29Å; R364-E369 IonicContact CZ-OE1 3.12Å; R364-E369 IonicContact CZ-OE2 2.71Å; R364-E369 IonicContact NE-OE1 2.8Å; R364-E369 PolarHBondContact NE-OE1 2.8Å; R364-E369 IonicContact NE-OE2 3.84Å; R364-E369 PolarHBondContact NE-OE2 3.06Å; R364-E369 IonicContact NH2-OE1 2.6Å; R364-E369 PolarHBondContact NH2-OE1 2.87Å; R364-E369 IonicContact NH2-OE2 3.72Å; D365-E369 PolarHBondContact O-N 3.42Å; L366-E369 PolarHBondContact O-N 3.01Å; D367-E369 PolarHBondContact O-N 3.34Å; E369-E372 PolarHBondContact O-N 3.49Å; E369-Q373 WeakPolarHBondContact O-CB 2.97Å; E369-Q373 VanDerWaalsContact O-CG 3.23Å; E369-Q373 WeakPolarHBondContact O-CG 3.3Å; E369-Q373 PolarHBondContact O-N 3.4Å |
| 370 | R | 82.5 | Confident | 82.8 | Confident | 186 Ų | 186 | 109.5 Ų | 109.5 | 70% | 0.702 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.1 | -42 | 173.9 | -178.8 | 180 | -79.8 | -176.1 | -4.6 | 111.4 | L366 D367 Q373 R374 | L366-R370 VanDerWaalsContact O-CB 3.29Å; L366-R370 WeakPolarHBondContact O-CB 3.34Å; L366-R370 PolarHBondContact O-N 3.36Å; D367-R370 PolarHBondContact O-N 3.32Å; R370-Q373 PolarHBondContact O-N 3.01Å; R370-R374 WeakPolarHBondContact O-CB 3.24Å; R370-R374 PolarHBondContact O-N 3.09Å |
| 371 | E | 82.2 | Confident | 83.5 | Confident | 110 Ų | 110 | 107.5 Ų | 107.5 | 51% | 0.514 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 175.5 | -77.7 | -175.3 | -171.5 | 0 | 0 | 112.4 | D367 S368 Q373 R374 K375 | D367-E371 WeakPolarHBondContact O-CB 3.35Å; D367-E371 WeakPolarHBondContact O-CG 3.44Å; D367-E371 PolarHBondContact O-N 3.12Å; S368-E371 PolarHBondContact O-N 3.15Å; E371-Q373 VanDerWaalsContact C-N 3.34Å; E371-R374 PolarHBondContact O-N 3.18Å; E371-K375 WeakPolarHBondContact O-CB 3.42Å; E371-K375 WeakPolarHBondContact O-CG 3.42Å; E371-K375 PolarHBondContact O-N 3.44Å |
| 372 | E | 84.7 | Confident | 84.3 | Confident | 104 Ų | 104 | 107.2 Ų | 107.2 | 49% | 0.486 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 174.3 | -81.3 | -166.9 | -164.8 | 0 | 0 | 112.1 | S368 E369 K375 K376 | S368-E372 WeakPolarHBondContact O-CB 3.29Å; S368-E372 WeakPolarHBondContact O-CG 3.48Å; S368-E372 PolarHBondContact O-N 3.03Å; E369-E372 PolarHBondContact O-N 3.49Å; E372-K375 PolarHBondContact O-N 3.25Å; E372-K376 WeakPolarHBondContact O-CB 3.41Å; E372-K376 VanDerWaalsContact O-CG 3.24Å; E372-K376 WeakPolarHBondContact O-CG 3.48Å; E372-K376 PolarHBondContact O-N 3.16Å; E372-K376 IonicContact OE2-NZ 3.3Å; E372-K376 PolarHBondContact OE2-NZ 3.32Å |
| 373 | Q | 85.4 | Confident | 84.8 | Confident | 115 Ų | 115 | 105.3 Ų | 105.3 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 174.2 | -76.2 | -178.2 | 26.4 | 0 | 0 | 111.2 | E369 R370 E371 K376 A377 | E369-Q373 WeakPolarHBondContact O-CB 2.97Å; E369-Q373 VanDerWaalsContact O-CG 3.23Å; E369-Q373 WeakPolarHBondContact O-CG 3.3Å; E369-Q373 PolarHBondContact O-N 3.4Å; R370-Q373 PolarHBondContact O-N 3.01Å; E371-Q373 VanDerWaalsContact C-N 3.34Å; Q373-K376 PolarHBondContact O-N 2.83Å; Q373-A377 WeakPolarHBondContact O-CB 3.41Å; Q373-A377 PolarHBondContact O-N 2.7Å |
| 374 | R | 87.7 | Confident | 85.2 | Confident | 201 Ų | 201 | 102.8 Ų | 102.8 | 76% | 0.758 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.4 | -40.3 | 175.7 | -161 | 175.6 | 88.4 | -170.8 | 5.4 | 111.7 | R370 E371 G378 | R370-R374 WeakPolarHBondContact O-CB 3.24Å; R370-R374 PolarHBondContact O-N 3.09Å; E371-R374 PolarHBondContact O-N 3.18Å; R374-G378 PolarHBondContact O-N 2.67Å |
| 375 | K | 90.5 | Very high | 85.8 | Confident | 137 Ų | 137 | 103.4 Ų | 103.4 | 60% | 0.596 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.9 | -48.2 | 173.8 | -74.5 | 173.7 | -178.4 | 169.5 | 0 | 111.4 | E371 E372 A377 G378 E379 | E371-K375 WeakPolarHBondContact O-CB 3.42Å; E371-K375 WeakPolarHBondContact O-CG 3.42Å; E371-K375 PolarHBondContact O-N 3.44Å; E372-K375 PolarHBondContact O-N 3.25Å; K375-A377 PolarHBondContact O-N 2.85Å; K375-G378 PolarHBondContact O-N 3.4Å; K375-E379 WeakPolarHBondContact O-CG 3.38Å; K375-E379 PolarHBondContact O-N 3.45Å |
| 376 | K | 90.9 | Very high | 86.3 | Confident | 122 Ų | 122 | 104.8 Ų | 104.8 | 53% | 0.53 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 177.2 | -73.4 | 165.4 | -172.9 | 153.4 | 0 | 112 | E372 Q373 K380 | E372-K376 WeakPolarHBondContact O-CB 3.41Å; E372-K376 VanDerWaalsContact O-CG 3.24Å; E372-K376 WeakPolarHBondContact O-CG 3.48Å; E372-K376 PolarHBondContact O-N 3.16Å; E372-K376 IonicContact OE2-NZ 3.3Å; E372-K376 PolarHBondContact OE2-NZ 3.32Å; Q373-K376 PolarHBondContact O-N 2.83Å; K376-K380 VanDerWaalsContact O-CB 3.29Å; K376-K380 WeakPolarHBondContact O-CB 3.46Å; K376-K380 PolarHBondContact O-N 3.46Å |
| 377 | A | 91.1 | Very high | 86.9 | Confident | 58 Ų | 58 | 108.4 Ų | 108.4 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q373 K375 K380 A381 | Q373-A377 WeakPolarHBondContact O-CB 3.41Å; Q373-A377 PolarHBondContact O-N 2.7Å; K375-A377 PolarHBondContact O-N 2.85Å; A377-K380 PolarHBondContact O-N 3.24Å; A377-A381 VanDerWaalsContact O-CB 3.3Å; A377-A381 WeakPolarHBondContact O-CB 3.29Å; A377-A381 PolarHBondContact O-N 2.96Å |
| 378 | G | 91.9 | Very high | 87.4 | Confident | 40 Ų | 40 | 105.9 Ų | 105.9 | 41% | 0.412 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R374 K375 K380 A381 A382 | R374-G378 PolarHBondContact O-N 2.67Å; K375-G378 PolarHBondContact O-N 3.4Å; G378-K380 VanDerWaalsContact C-N 3.33Å; G378-K380 PolarHBondContact O-N 3.02Å; G378-A381 PolarHBondContact O-N 3.36Å; G378-A382 WeakPolarHBondContact O-CB 3.48Å; G378-A382 PolarHBondContact O-N 3.41Å |
| 379 | E | 91.8 | Very high | 87.5 | Confident | 119 Ų | 119 | 109 Ų | 109 | 56% | 0.556 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.9 | -37.8 | 174.3 | -75.3 | -177.5 | -171.1 | 0 | 0 | 112.6 | K375 K383 | K375-E379 WeakPolarHBondContact O-CG 3.38Å; K375-E379 PolarHBondContact O-N 3.45Å; E379-K383 WeakPolarHBondContact O-CG 3.28Å; E379-K383 PolarHBondContact O-N 3.47Å; E379-K383 VanDerWaalsContact O-N 3.1Å |
| 380 | K | 91.8 | Very high | 87.3 | Confident | 136 Ų | 136 | 116.3 Ų | 116.3 | 59% | 0.591 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.8 | -48.8 | 175.3 | -172.4 | -176.1 | 173.8 | -170.7 | 0 | 110.4 | K376 A377 G378 A382 K383 D384 | K376-K380 VanDerWaalsContact O-CB 3.29Å; K376-K380 WeakPolarHBondContact O-CB 3.46Å; K376-K380 PolarHBondContact O-N 3.46Å; A377-K380 PolarHBondContact O-N 3.24Å; G378-K380 VanDerWaalsContact C-N 3.33Å; G378-K380 PolarHBondContact O-N 3.02Å; K380-A382 VanDerWaalsContact C-N 3.31Å; K380-A382 PolarHBondContact O-N 2.6Å; K380-K383 WeakPolarHBondContact O-CB 3.3Å; K380-K383 PolarHBondContact O-N 3.15Å; K380-D384 WeakPolarHBondContact O-CB 3.49Å; K380-D384 PolarHBondContact O-N 2.75Å |
| 381 | A | 90.6 | Very high | 87.1 | Confident | 55 Ų | 55 | 111 Ų | 111 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -57.7 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A377 G378 K383 D384 E385 | A377-A381 VanDerWaalsContact O-CB 3.3Å; A377-A381 WeakPolarHBondContact O-CB 3.29Å; A377-A381 PolarHBondContact O-N 2.96Å; G378-A381 PolarHBondContact O-N 3.36Å; A381-K383 VanDerWaalsContact C-N 3.31Å; A381-K383 PolarHBondContact O-N 2.9Å; A381-D384 PolarHBondContact O-N 3.25Å; A381-E385 WeakPolarHBondContact O-CB 3.18Å; A381-E385 PolarHBondContact O-N 2.96Å |
| 382 | A | 90.9 | Very high | 87 | Confident | 42 Ų | 42 | 110.6 Ų | 110.6 | 35% | 0.347 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.1 | -31.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G378 K380 K386 | G378-A382 WeakPolarHBondContact O-CB 3.48Å; G378-A382 PolarHBondContact O-N 3.41Å; K380-A382 VanDerWaalsContact C-N 3.31Å; K380-A382 PolarHBondContact O-N 2.6Å; A382-K386 VanDerWaalsContact O-CG 3.29Å; A382-K386 WeakPolarHBondContact O-CG 3.48Å; A382-K386 PolarHBondContact O-N 2.8Å |
| 383 | K | 90.4 | Very high | 86.8 | Confident | 118 Ų | 118 | 107.3 Ų | 107.3 | 51% | 0.513 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -72.7 | -46 | 171.8 | -74.6 | 169.3 | -176.4 | 165.2 | 0 | 110.4 | E379 K380 A381 E385 K386 Y387 | E379-K383 WeakPolarHBondContact O-CG 3.28Å; E379-K383 PolarHBondContact O-N 3.47Å; E379-K383 VanDerWaalsContact O-N 3.1Å; K380-K383 WeakPolarHBondContact O-CB 3.3Å; K380-K383 PolarHBondContact O-N 3.15Å; A381-K383 VanDerWaalsContact C-N 3.31Å; A381-K383 PolarHBondContact O-N 2.9Å; K383-E385 VanDerWaalsContact C-N 3.28Å; K383-E385 PolarHBondContact O-N 3.47Å; K383-K386 WeakPolarHBondContact O-CB 3.45Å; K383-K386 PolarHBondContact O-N 2.96Å; K383-K386 VanDerWaalsContact O-N 3.16Å; K383-Y387 WeakPolarHBondContact O-CD2 3.48Å; K383-Y387 PolarHBondContact O-N 2.86Å |
| 384 | D | 87.8 | Confident | 86.4 | Confident | 85 Ų | 85 | 109 Ų | 109 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.2 | -38.4 | -179.9 | -66.5 | -11 | 0 | 0 | 0 | 110.6 | K380 A381 Y387 A388 | K380-D384 WeakPolarHBondContact O-CB 3.49Å; K380-D384 PolarHBondContact O-N 2.75Å; A381-D384 PolarHBondContact O-N 3.25Å; D384-Y387 CarbonylContact O-C 3.59Å; D384-Y387 PolarHBondContact O-N 3.49Å; D384-A388 WeakPolarHBondContact O-CB 3.16Å; D384-A388 PolarHBondContact O-N 3.32Å |
| 385 | E | 87.2 | Confident | 86.1 | Confident | 118 Ų | 118 | 102.8 Ų | 102.8 | 55% | 0.551 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.7 | -45.2 | 173.8 | -167.1 | -170.8 | 165.4 | 0 | 0 | 111.9 | A381 K383 Y387 A388 Q389 | A381-E385 WeakPolarHBondContact O-CB 3.18Å; A381-E385 PolarHBondContact O-N 2.96Å; K383-E385 VanDerWaalsContact C-N 3.28Å; K383-E385 PolarHBondContact O-N 3.47Å; E385-Y387 VanDerWaalsContact C-N 3.3Å; E385-Y387 PolarHBondContact O-N 3.18Å; E385-A388 PolarHBondContact O-N 2.9Å; E385-Q389 WeakPolarHBondContact O-CB 3.1Å; E385-Q389 VanDerWaalsContact O-CG 3.28Å; E385-Q389 WeakPolarHBondContact O-CG 3.42Å; E385-Q389 PolarHBondContact O-N 3.12Å; E385-Q389 PolarHBondContact OE1-NE2 3.47Å |
| 386 | K | 85.4 | Confident | 85.8 | Confident | 145 Ų | 145 | 102 Ų | 102 | 63% | 0.63 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.7 | -39.9 | 174.3 | -71.5 | 171.9 | -174.3 | 179.1 | 0 | 111.7 | A382 K383 Q389 W390 | A382-K386 VanDerWaalsContact O-CG 3.29Å; A382-K386 WeakPolarHBondContact O-CG 3.48Å; A382-K386 PolarHBondContact O-N 2.8Å; K383-K386 WeakPolarHBondContact O-CB 3.45Å; K383-K386 PolarHBondContact O-N 2.96Å; K383-K386 VanDerWaalsContact O-N 3.16Å; K386-Q389 PolarHBondContact O-N 3.38Å; K386-W390 WeakPolarHBondContact O-CB 3.45Å; K386-W390 PolarHBondContact O-N 2.93Å |
| 387 | Y | 84.8 | Confident | 85.6 | Confident | 155 Ų | 155 | 97 Ų | 97 | 61% | 0.608 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.4 | -37.6 | 175.6 | -84.5 | -69.6 | 0 | 0 | 0 | 112.3 | K383 D384 E385 W390 G391 | K383-Y387 WeakPolarHBondContact O-CD2 3.48Å; K383-Y387 PolarHBondContact O-N 2.86Å; D384-Y387 CarbonylContact O-C 3.59Å; D384-Y387 PolarHBondContact O-N 3.49Å; E385-Y387 VanDerWaalsContact C-N 3.3Å; E385-Y387 PolarHBondContact O-N 3.18Å; Y387-W390 PolarHBondContact O-N 2.98Å; Y387-G391 PolarHBondContact O-N 2.89Å |
| 388 | A | 85.8 | Confident | 85.5 | Confident | 65 Ų | 65 | 99.5 Ų | 99.5 | 54% | 0.537 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D384 E385 W390 G391 R392 | D384-A388 WeakPolarHBondContact O-CB 3.16Å; D384-A388 PolarHBondContact O-N 3.32Å; E385-A388 PolarHBondContact O-N 2.9Å; A388-W390 VanDerWaalsContact C-N 3.31Å; A388-W390 PolarHBondContact O-N 3.48Å; A388-G391 PolarHBondContact O-N 3.29Å; A388-R392 WeakPolarHBondContact O-CB 3.31Å; A388-R392 PolarHBondContact O-N 3.01Å; A388-R392 VanDerWaalsContact O-N 3.11Å |
| 389 | Q | 81.4 | Confident | 85.3 | Confident | 121 Ų | 121 | 103.8 Ų | 103.8 | 57% | 0.565 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62 | -37.5 | 174.3 | -70.2 | 174.3 | 20.3 | 0 | 0 | 112.1 | E385 K386 | E385-Q389 WeakPolarHBondContact O-CB 3.1Å; E385-Q389 VanDerWaalsContact O-CG 3.28Å; E385-Q389 WeakPolarHBondContact O-CG 3.42Å; E385-Q389 PolarHBondContact O-N 3.12Å; E385-Q389 PolarHBondContact OE1-NE2 3.47Å; K386-Q389 PolarHBondContact O-N 3.38Å |
| 390 | W | 78.8 | Confident | 85.2 | Confident | 210 Ų | 210 | 102.3 Ų | 102.3 | 80% | 0.795 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -78.4 | -34.3 | 177.8 | -167.6 | 5.7 | 0 | 0 | 0 | 113.2 | K386 Y387 A388 R392 | K386-W390 WeakPolarHBondContact O-CB 3.45Å; K386-W390 PolarHBondContact O-N 2.93Å; Y387-W390 PolarHBondContact O-N 2.98Å; A388-W390 VanDerWaalsContact C-N 3.31Å; A388-W390 PolarHBondContact O-N 3.48Å; W390-R392 PolarHBondContact O-N 3.29Å |
| 391 | G | 77.4 | Confident | 85.2 | Confident | 74 Ų | 74 | 101.8 Ų | 101.8 | 76% | 0.763 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.8 | -21.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y387 A388 | Y387-G391 PolarHBondContact O-N 2.89Å; A388-G391 PolarHBondContact O-N 3.29Å |
| 392 | R | 80.4 | Confident | 85.4 | Confident | 103 Ų | 103 | 104.6 Ų | 104.6 | 39% | 0.389 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -86.7 | 139.2 | 175.3 | -166.1 | 174.6 | -177.5 | -163 | 0.8 | 111.5 | A388 W390 L394 Q396 | A388-R392 WeakPolarHBondContact O-CB 3.31Å; A388-R392 PolarHBondContact O-N 3.01Å; A388-R392 VanDerWaalsContact O-N 3.11Å; W390-R392 PolarHBondContact O-N 3.29Å; R392-L394 PolarHBondContact O-N 2.98Å; R392-Q396 HydrophobicContact CG-CB 4.45Å; R392-Q396 PolarHBondContact NH2-O 3.38Å |
| 393 | G | 80.3 | Confident | 85.5 | Confident | 35 Ų | 35 | 109.6 Ų | 109.6 | 36% | 0.361 | 55% | 0.552 | S | S | . | * | trans | -64.6 | 129.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A395 Q396 G397 | G393-A395 PolarHBondContact O-N 3.24Å; G393-A395 VanDerWaalsContact O-N 3.12Å; G393-Q396 WeakPolarHBondContact O-CB 3.35Å; G393-Q396 PolarHBondContact O-N 3.45Å; G393-G397 PolarHBondContact O-N 2.88Å; G393-G397 VanDerWaalsContact O-N 3.11Å | ||
| 394 | L | 77.8 | Confident | 85.8 | Confident | 150 Ų | 150 | 108.7 Ų | 108.7 | 79% | 0.785 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -50.8 | -38.6 | 177.9 | -68.8 | 174 | 0 | 0 | 0 | 112.8 | R392 G397 Q398 | R392-L394 PolarHBondContact O-N 2.98Å; L394-G397 PolarHBondContact O-N 3.46Å; L394-Q398 WeakPolarHBondContact O-CG 3.47Å; L394-Q398 PolarHBondContact O-N 3.34Å |
| 395 | A | 80.6 | Confident | 86.1 | Confident | 70 Ų | 70 | 110.7 Ų | 110.7 | 58% | 0.579 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.8 | -35.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G393 M399 | G393-A395 PolarHBondContact O-N 3.24Å; G393-A395 VanDerWaalsContact O-N 3.12Å; A395-M399 VanDerWaalsContact O-CB 3.25Å; A395-M399 WeakPolarHBondContact O-CB 3.47Å; A395-M399 PolarHBondContact O-N 3.02Å |
| 396 | Q | 85.7 | Confident | 86.4 | Confident | 121 Ų | 121 | 109.3 Ų | 109.3 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.6 | -36.4 | 177.7 | -64.1 | 172.8 | -6.6 | 0 | 0 | 111.3 | R392 G393 Q400 | R392-Q396 HydrophobicContact CG-CB 4.45Å; R392-Q396 PolarHBondContact NH2-O 3.38Å; G393-Q396 WeakPolarHBondContact O-CB 3.35Å; G393-Q396 PolarHBondContact O-N 3.45Å; Q396-Q400 PolarHBondContact O-N 2.89Å; Q396-Q400 VanDerWaalsContact O-N 3.07Å |
| 397 | G | 86.1 | Confident | 86.8 | Confident | 16 Ų | 16 | 104.7 Ų | 104.7 | 17% | 0.165 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -64.9 | -48.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | G393 L394 M399 Q400 Q401 | G393-G397 PolarHBondContact O-N 2.88Å; G393-G397 VanDerWaalsContact O-N 3.11Å; L394-G397 PolarHBondContact O-N 3.46Å; G397-M399 PolarHBondContact O-N 3.45Å; G397-Q400 PolarHBondContact O-N 2.77Å; G397-Q401 WeakPolarHBondContact O-CG 3.33Å; G397-Q401 PolarHBondContact O-N 2.83Å |
| 398 | Q | 88.3 | Confident | 87.3 | Confident | 111 Ų | 111 | 103 Ų | 103 | 52% | 0.519 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 176.5 | -73.1 | -176.6 | -14.6 | 0 | 0 | 112.2 | L394 Q400 Q401 Q402 | L394-Q398 WeakPolarHBondContact O-CG 3.47Å; L394-Q398 PolarHBondContact O-N 3.34Å; Q398-Q400 VanDerWaalsContact C-N 3.32Å; Q398-Q400 PolarHBondContact O-N 2.91Å; Q398-Q401 PolarHBondContact O-N 2.87Å; Q398-Q402 WeakPolarHBondContact O-CB 3.28Å; Q398-Q402 WeakPolarHBondContact O-CG 3.21Å; Q398-Q402 PolarHBondContact O-N 3.14Å |
| 399 | M | 88.8 | Confident | 87.5 | Confident | 131 Ų | 131 | 103.7 Ų | 103.7 | 65% | 0.645 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.2 | -39 | 177.1 | -175.6 | -174.7 | -65.4 | 0 | 0 | 112 | A395 G397 K403 | A395-M399 VanDerWaalsContact O-CB 3.25Å; A395-M399 WeakPolarHBondContact O-CB 3.47Å; A395-M399 PolarHBondContact O-N 3.02Å; G397-M399 PolarHBondContact O-N 3.45Å; M399-K403 VanDerWaalsContact O-CB 3.28Å; M399-K403 WeakPolarHBondContact O-CB 3.45Å; M399-K403 PolarHBondContact O-N 3.46Å |
| 400 | Q | 89.4 | Confident | 87.9 | Confident | 88 Ų | 88 | 103.4 Ų | 103.4 | 41% | 0.411 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 175.4 | -173.3 | -176.7 | 19.8 | 0 | 0 | 111.6 | Q396 G397 Q398 K403 L404 | Q396-Q400 PolarHBondContact O-N 2.89Å; Q396-Q400 VanDerWaalsContact O-N 3.07Å; G397-Q400 PolarHBondContact O-N 2.77Å; Q398-Q400 VanDerWaalsContact C-N 3.32Å; Q398-Q400 PolarHBondContact O-N 2.91Å; Q400-K403 PolarHBondContact O-N 3.3Å; Q400-L404 HydrophobicContact CG-CD1 4.31Å; Q400-L404 HydrophobicContact CG-CG 4.5Å; Q400-L404 WeakPolarHBondContact O-CG 3.33Å; Q400-L404 PolarHBondContact O-N 3.29Å |
| 401 | Q | 91.8 | Very high | 88.6 | Confident | 124 Ų | 124 | 97.5 Ų | 97.5 | 58% | 0.579 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.8 | -47.5 | 176.9 | -72.7 | 174.6 | -13.4 | 0 | 0 | 111.1 | G397 Q398 K403 L404 E405 | G397-Q401 WeakPolarHBondContact O-CG 3.33Å; G397-Q401 PolarHBondContact O-N 2.83Å; Q398-Q401 PolarHBondContact O-N 2.87Å; Q401-K403 PolarHBondContact O-N 3.18Å; Q401-L404 PolarHBondContact O-N 2.88Å; Q401-L404 VanDerWaalsContact O-N 3.17Å; Q401-E405 WeakPolarHBondContact O-CG 3.46Å; Q401-E405 PolarHBondContact O-N 2.89Å |
| 402 | Q | 93.3 | Very high | 89.3 | Confident | 114 Ų | 114 | 101.7 Ų | 101.7 | 53% | 0.533 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 174.3 | -73.7 | 179.1 | -18.9 | 0 | 0 | 111.4 | Q398 L404 E405 D406 | Q398-Q402 WeakPolarHBondContact O-CB 3.28Å; Q398-Q402 WeakPolarHBondContact O-CG 3.21Å; Q398-Q402 PolarHBondContact O-N 3.14Å; Q402-L404 VanDerWaalsContact C-N 3.27Å; Q402-L404 PolarHBondContact O-N 3.1Å; Q402-E405 PolarHBondContact O-N 2.87Å; Q402-D406 VanDerWaalsContact O-CB 3.29Å; Q402-D406 WeakPolarHBondContact O-CB 3.38Å; Q402-D406 PolarHBondContact O-N 2.9Å |
| 403 | K | 94.9 | Very high | 89.8 | Confident | 147 Ų | 147 | 100 Ų | 100 | 64% | 0.639 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.3 | -38 | 177.2 | -170.3 | -177 | 179.7 | -165.9 | 0 | 112.2 | M399 Q400 Q401 A407 | M399-K403 VanDerWaalsContact O-CB 3.28Å; M399-K403 WeakPolarHBondContact O-CB 3.45Å; M399-K403 PolarHBondContact O-N 3.46Å; Q400-K403 PolarHBondContact O-N 3.3Å; Q401-K403 PolarHBondContact O-N 3.18Å; K403-A407 WeakPolarHBondContact O-CB 3.09Å; K403-A407 PolarHBondContact O-N 3.34Å |
| 404 | L | 94.8 | Very high | 90.4 | Very high | 100 Ų | 100 | 102.6 Ų | 102.6 | 52% | 0.524 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.5 | -44.3 | 176.1 | -72.1 | 172.6 | 0 | 0 | 0 | 111.7 | Q400 Q401 Q402 A407 L408 | Q400-L404 HydrophobicContact CG-CD1 4.31Å; Q400-L404 HydrophobicContact CG-CG 4.5Å; Q400-L404 WeakPolarHBondContact O-CG 3.33Å; Q400-L404 PolarHBondContact O-N 3.29Å; Q401-L404 PolarHBondContact O-N 2.88Å; Q401-L404 VanDerWaalsContact O-N 3.17Å; Q402-L404 VanDerWaalsContact C-N 3.27Å; Q402-L404 PolarHBondContact O-N 3.1Å; L404-A407 PolarHBondContact O-N 3.22Å; L404-L408 WeakPolarHBondContact O-CB 3.35Å; L404-L408 VanDerWaalsContact O-CG 3.29Å; L404-L408 WeakPolarHBondContact O-CG 3.2Å; L404-L408 PolarHBondContact O-N 2.98Å |
| 405 | E | 95.3 | Very high | 91.1 | Very high | 126 Ų | 126 | 104.2 Ų | 104.2 | 59% | 0.589 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.4 | -45.6 | 175.6 | -72.3 | 174 | 179.3 | 0 | 0 | 111.3 | Q401 Q402 L408 H409 | Q401-E405 WeakPolarHBondContact O-CG 3.46Å; Q401-E405 PolarHBondContact O-N 2.89Å; Q402-E405 PolarHBondContact O-N 2.87Å; E405-L408 PolarHBondContact O-N 3.17Å; E405-H409 WeakPolarHBondContact O-CB 3.15Å; E405-H409 PolarHBondContact O-N 3.43Å |
| 406 | D | 93 | Very high | 91.7 | Very high | 90 Ų | 90 | 103.6 Ų | 103.6 | 48% | 0.481 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 176.1 | -69.9 | -23.9 | 0 | 0 | 0 | 110.7 | Q402 L408 H409 E410 | Q402-D406 VanDerWaalsContact O-CB 3.29Å; Q402-D406 WeakPolarHBondContact O-CB 3.38Å; Q402-D406 PolarHBondContact O-N 2.9Å; D406-L408 PolarHBondContact O-N 3.01Å; D406-H409 CarbonylContact O-C 3.58Å; D406-H409 PolarHBondContact O-N 3.25Å; D406-E410 WeakPolarHBondContact O-CB 3.29Å; D406-E410 VanDerWaalsContact O-CG 3.29Å; D406-E410 WeakPolarHBondContact O-CG 3.45Å; D406-E410 PolarHBondContact O-N 3.46Å |
| 407 | A | 94.3 | Very high | 91.9 | Very high | 48 Ų | 48 | 106.1 Ų | 106.1 | 40% | 0.397 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | K403 L404 H409 E410 A411 | K403-A407 WeakPolarHBondContact O-CB 3.09Å; K403-A407 PolarHBondContact O-N 3.34Å; L404-A407 PolarHBondContact O-N 3.22Å; A407-H409 VanDerWaalsContact C-N 3.33Å; A407-E410 PolarHBondContact O-N 3.02Å; A407-A411 WeakPolarHBondContact O-CB 3.33Å; A407-A411 PolarHBondContact O-N 3.42Å |
| 408 | L | 94.9 | Very high | 92.1 | Very high | 118 Ų | 118 | 110.8 Ų | 110.8 | 62% | 0.618 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.5 | -40.7 | 174.2 | -73 | 175.5 | 0 | 0 | 0 | 111.4 | L404 E405 D406 Q412 | L404-L408 WeakPolarHBondContact O-CB 3.35Å; L404-L408 VanDerWaalsContact O-CG 3.29Å; L404-L408 WeakPolarHBondContact O-CG 3.2Å; L404-L408 PolarHBondContact O-N 2.98Å; E405-L408 PolarHBondContact O-N 3.17Å; D406-L408 PolarHBondContact O-N 3.01Å; L408-Q412 WeakPolarHBondContact O-CG 3.29Å; L408-Q412 PolarHBondContact O-N 3.38Å |
| 409 | H | 91.1 | Very high | 92.3 | Very high | 80 Ų | 80 | 113.9 Ų | 113.9 | 37% | 0.37 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.6 | -39.7 | 177.9 | -174.8 | -139.9 | 0 | 0 | 0 | 112.2 | E405 D406 A407 Q412 K413 D423 | E405-H409 WeakPolarHBondContact O-CB 3.15Å; E405-H409 PolarHBondContact O-N 3.43Å; D406-H409 CarbonylContact O-C 3.58Å; D406-H409 PolarHBondContact O-N 3.25Å; A407-H409 VanDerWaalsContact C-N 3.33Å; H409-Q412 PolarHBondContact O-N 3.43Å; H409-K413 WeakPolarHBondContact CE1-CE 3.19Å; H409-K413 PolarHBondContact CE1-NZ 3.01Å; H409-K413 PolarHBondContact ND1-NZ 3.11Å; H409-K413 VanDerWaalsContact ND1-NZ 3.15Å; H409-K413 VanDerWaalsContact NE2-CE 3.34Å; H409-K413 WeakPolarHBondContact NE2-CE 3.27Å; H409-K413 WeakPolarHBondContact O-CG 3Å; H409-K413 PolarHBondContact O-N 3.4Å; H409-D423 IonicContact CE1-OD2 3.78Å; H409-D423 PolarHBondContact CE1-OD2 3.24Å; H409-D423 IonicContact NE2-OD2 2.72Å |
| 410 | E | 89.9 | Confident | 92.4 | Very high | 116 Ų | 116 | 113 Ų | 113 | 54% | 0.542 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.7 | -38 | 175.5 | -73.5 | 178.9 | 176.2 | 0 | 0 | 112 | D406 A407 Q412 K413 | D406-E410 WeakPolarHBondContact O-CB 3.29Å; D406-E410 VanDerWaalsContact O-CG 3.29Å; D406-E410 WeakPolarHBondContact O-CG 3.45Å; D406-E410 PolarHBondContact O-N 3.46Å; A407-E410 PolarHBondContact O-N 3.02Å; E410-Q412 PolarHBondContact O-N 3.3Å; E410-K413 WeakPolarHBondContact O-CB 3.15Å; E410-K413 PolarHBondContact O-N 2.77Å |
| 411 | A | 92.9 | Very high | 92.6 | Very high | 86 Ų | 86 | 110.7 Ų | 110.7 | 71% | 0.711 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.7 | -27.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | A407 K413 | A407-A411 WeakPolarHBondContact O-CB 3.33Å; A407-A411 PolarHBondContact O-N 3.42Å; A411-K413 VanDerWaalsContact C-N 3.32Å |
| 412 | Q | 91.9 | Very high | 92.5 | Very high | 161 Ų | 161 | 111.9 Ų | 111.9 | 75% | 0.752 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -16.8 | 174 | -71.9 | 175.1 | 10.3 | 0 | 0 | 113 | L408 H409 E410 | L408-Q412 WeakPolarHBondContact O-CG 3.29Å; L408-Q412 PolarHBondContact O-N 3.38Å; H409-Q412 PolarHBondContact O-N 3.43Å; E410-Q412 PolarHBondContact O-N 3.3Å |
| 413 | K | 91.1 | Very high | 92.4 | Very high | 67 Ų | 67 | 109.1 Ų | 109.1 | 29% | 0.291 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -89.4 | 152.4 | -176.9 | -72.7 | 170 | -176 | 178.3 | 0 | 111.8 | H409 E410 A411 D423 | H409-K413 WeakPolarHBondContact CE1-CE 3.19Å; H409-K413 PolarHBondContact CE1-NZ 3.01Å; H409-K413 PolarHBondContact ND1-NZ 3.11Å; H409-K413 VanDerWaalsContact ND1-NZ 3.15Å; H409-K413 VanDerWaalsContact NE2-CE 3.34Å; H409-K413 WeakPolarHBondContact NE2-CE 3.27Å; H409-K413 WeakPolarHBondContact O-CG 3Å; H409-K413 PolarHBondContact O-N 3.4Å; E410-K413 WeakPolarHBondContact O-CB 3.15Å; E410-K413 PolarHBondContact O-N 2.77Å; A411-K413 VanDerWaalsContact C-N 3.32Å; K413-D423 WeakPolarHBondContact CE-OD2 3.46Å; K413-D423 IonicContact NZ-OD2 3.87Å; K413-D423 PolarHBondContact NZ-OD2 2.83Å |
| 414 | P | 92.5 | Very high | 92.2 | Very high | 91 Ų | 91 | 104.7 Ų | 104.7 | 59% | 0.591 | 54% | 0.536 | S | S | * | . | trans | -63.8 | 151.7 | 168 | 29.3 | -34.6 | 0 | 0 | 0 | 110.7 | A416 | P414-A416 VanDerWaalsContact C-N 3.29Å; P414-A416 PolarHBondContact O-N 2.77Å | ||
| 415 | L | 92.7 | Very high | 92.1 | Very high | 184 Ų | 184 | 102.7 Ų | 102.7 | 96% | 0.963 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -58.9 | -39.8 | 179.9 | 177.4 | 63.7 | 0 | 0 | 0 | 112.7 | ||
| 416 | A | 92.5 | Very high | 92 | Very high | 57 Ų | 57 | 102.9 Ų | 102.9 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -91.9 | 130.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P414 | P414-A416 VanDerWaalsContact C-N 3.29Å; P414-A416 PolarHBondContact O-N 2.77Å |
| 417 | R | 90.2 | Very high | 91.9 | Very high | 173 Ų | 173 | 103.8 Ų | 103.8 | 65% | 0.653 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -84.6 | 128.7 | 169.7 | -65.9 | -173.9 | -178.1 | -174.4 | -0.3 | 110 | D421 | R417-D421 WeakPolarHBondContact CA-OD2 3.5Å; R417-D421 WeakPolarHBondContact CB-OD2 3.49Å; R417-D421 WeakPolarHBondContact CG-OD2 3.32Å |
| 418 | H | 91.4 | Very high | 91.7 | Very high | 115 Ų | 115 | 104.6 Ų | 104.6 | 53% | 0.532 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -103.6 | 166.9 | 177.4 | -78.1 | -78.7 | 0 | 0 | 0 | 111.8 | D420 D421 | H418-D420 PolarHBondContact O-N 3.29Å; H418-D421 VanDerWaalsContact N-CG 3.34Å; H418-D421 PolarHBondContact N-OD1 3.28Å; H418-D421 PolarHBondContact N-OD2 3.32Å; H418-D421 VanDerWaalsContact O-CB 3.31Å; H418-D421 WeakPolarHBondContact O-CB 3.25Å; H418-D421 PolarHBondContact O-N 3.5Å; H418-D421 VanDerWaalsContact O-N 3.15Å |
| 419 | Y | 91.1 | Very high | 91.5 | Very high | 175 Ų | 175 | 108.2 Ų | 108.2 | 69% | 0.686 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -23.2 | 176.8 | 65.1 | -88.9 | 0 | 0 | 0 | 112.4 | D421 | Y419-D421 VanDerWaalsContact C-N 3.32Š|
| 420 | D | 91.6 | Very high | 91.4 | Very high | 112 Ų | 112 | 111.2 Ų | 111.2 | 60% | 0.599 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 4.9 | 175.4 | -68.8 | -37.5 | 0 | 0 | 0 | 113.3 | H418 E422 | H418-D420 PolarHBondContact O-N 3.29Å; D420-E422 PolarHBondContact O-N 3.2Å |
| 421 | D | 92.5 | Very high | 91.4 | Very high | 40 Ų | 40 | 111.2 Ų | 111.2 | 21% | 0.214 | 54% | 0.541 | C | S | . | . | trans | -64.6 | 116 | 179.1 | -83.6 | 5.6 | 0 | 0 | 0 | 111.2 | R417 H418 Y419 D423 L424 D425 | R417-D421 WeakPolarHBondContact CA-OD2 3.5Å; R417-D421 WeakPolarHBondContact CB-OD2 3.49Å; R417-D421 WeakPolarHBondContact CG-OD2 3.32Å; H418-D421 VanDerWaalsContact N-CG 3.34Å; H418-D421 PolarHBondContact N-OD1 3.28Å; H418-D421 PolarHBondContact N-OD2 3.32Å; H418-D421 VanDerWaalsContact O-CB 3.31Å; H418-D421 WeakPolarHBondContact O-CB 3.25Å; H418-D421 PolarHBondContact O-N 3.5Å; H418-D421 VanDerWaalsContact O-N 3.15Å; Y419-D421 VanDerWaalsContact C-N 3.32Å; D421-D423 PolarHBondContact O-N 3.28Å; D421-D423 VanDerWaalsContact O-N 3.12Å; D421-L424 HydrophobicContact CB-CB 3.91Å; D421-L424 WeakPolarHBondContact O-CB 3.45Å; D421-L424 PolarHBondContact O-N 3.23Å; D421-L424 VanDerWaalsContact O-N 3.09Å; D421-D425 PolarHBondContact O-N 3.35Å | ||
| 422 | E | 91.3 | Very high | 91.1 | Very high | 150 Ų | 150 | 111.7 Ų | 111.7 | 70% | 0.701 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -56.3 | -35 | -178.7 | -61.4 | -172.1 | 171 | 0 | 0 | 113.4 | D420 D425 R426 | D420-E422 PolarHBondContact O-N 3.2Å; E422-D425 PolarHBondContact O-N 2.71Å; E422-R426 VanDerWaalsContact O-CB 3.29Å; E422-R426 WeakPolarHBondContact O-CB 3.49Å; E422-R426 PolarHBondContact O-N 2.94Å |
| 423 | D | 90.4 | Very high | 91.1 | Very high | 55 Ų | 55 | 110.4 Ų | 110.4 | 29% | 0.294 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.8 | -38.7 | 179.9 | -83.8 | -2.8 | 0 | 0 | 0 | 113 | H409 K413 D421 D425 R426 M427 | H409-D423 IonicContact CE1-OD2 3.78Å; H409-D423 PolarHBondContact CE1-OD2 3.24Å; H409-D423 IonicContact NE2-OD2 2.72Å; K413-D423 WeakPolarHBondContact CE-OD2 3.46Å; K413-D423 IonicContact NZ-OD2 3.87Å; K413-D423 PolarHBondContact NZ-OD2 2.83Å; D421-D423 PolarHBondContact O-N 3.28Å; D421-D423 VanDerWaalsContact O-N 3.12Å; D423-D425 VanDerWaalsContact C-N 3.31Å; D423-R426 PolarHBondContact O-N 3Å; D423-R426 IonicContact OD1-NE 2.96Å; D423-M427 WeakPolarHBondContact O-CB 3.38Å; D423-M427 PolarHBondContact O-N 2.63Å |
| 424 | L | 90.5 | Very high | 91 | Very high | 54 Ų | 54 | 116.9 Ų | 116.9 | 28% | 0.283 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 173.1 | 177.8 | 63.5 | 0 | 0 | 0 | 109.5 | D421 R426 M427 L428 | D421-L424 HydrophobicContact CB-CB 3.91Å; D421-L424 WeakPolarHBondContact O-CB 3.45Å; D421-L424 PolarHBondContact O-N 3.23Å; D421-L424 VanDerWaalsContact O-N 3.09Å; L424-R426 VanDerWaalsContact C-N 3.34Å; L424-R426 PolarHBondContact O-N 2.64Å; L424-M427 HydrophobicContact CD1-CE 3.77Å; L424-M427 PolarHBondContact O-N 3.13Å; L424-L428 HydrophobicContact CD1-CD1 4.2Å; L424-L428 HydrophobicContact CD1-CG 4.36Å; L424-L428 HydrophobicContact CG-CD1 4Å; L424-L428 WeakPolarHBondContact O-CB 3.39Å; L424-L428 WeakPolarHBondContact O-CG 3.34Å; L424-L428 PolarHBondContact O-N 3.41Å |
| 425 | D | 93.4 | Very high | 90.9 | Very high | 59 Ų | 59 | 116.5 Ų | 116.5 | 32% | 0.316 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.9 | -42.3 | 179.1 | -127.9 | 42.2 | 0 | 0 | 0 | 111.7 | D421 E422 D423 L428 R429 | D421-D425 PolarHBondContact O-N 3.35Å; E422-D425 PolarHBondContact O-N 2.71Å; D423-D425 VanDerWaalsContact C-N 3.31Å; D425-L428 PolarHBondContact O-N 2.99Å; D425-R429 WeakPolarHBondContact O-CB 3.35Å; D425-R429 WeakPolarHBondContact O-CG 3.15Å; D425-R429 PolarHBondContact O-N 2.95Å; D425-R429 IonicContact OD2-CZ 3.49Å; D425-R429 IonicContact OD2-NE 3.66Å; D425-R429 IonicContact OD2-NH2 3.28Å; D425-R429 PolarHBondContact OD2-NH2 2.96Å |
| 426 | R | 93.1 | Very high | 90.9 | Very high | 130 Ų | 130 | 110.8 Ų | 110.8 | 49% | 0.491 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62 | -48.2 | 174.1 | -168.2 | -172.7 | -45.9 | -79.6 | -6.3 | 111.4 | E422 D423 L424 L428 R429 E430 | E422-R426 VanDerWaalsContact O-CB 3.29Å; E422-R426 WeakPolarHBondContact O-CB 3.49Å; E422-R426 PolarHBondContact O-N 2.94Å; D423-R426 PolarHBondContact O-N 3Å; D423-R426 IonicContact OD1-NE 2.96Å; L424-R426 VanDerWaalsContact C-N 3.34Å; L424-R426 PolarHBondContact O-N 2.64Å; R426-L428 PolarHBondContact O-N 3.33Å; R426-R429 PolarHBondContact O-N 3.49Å; R426-E430 WeakPolarHBondContact O-CG 3.29Å; R426-E430 PolarHBondContact O-N 2.74Å |
| 427 | M | 90.8 | Very high | 90.9 | Very high | 108 Ų | 108 | 113.9 Ų | 113.9 | 53% | 0.532 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60 | -43.9 | 178.2 | -175.7 | -163.2 | 73.1 | 0 | 0 | 111.6 | D423 L424 R429 E430 Q431 | D423-M427 WeakPolarHBondContact O-CB 3.38Å; D423-M427 PolarHBondContact O-N 2.63Å; L424-M427 HydrophobicContact CD1-CE 3.77Å; L424-M427 PolarHBondContact O-N 3.13Å; M427-R429 VanDerWaalsContact C-N 3.33Å; M427-R429 PolarHBondContact O-N 3.37Å; M427-E430 PolarHBondContact O-N 2.63Å; M427-Q431 PolarHBondContact O-N 3.19Å |
| 428 | L | 90.8 | Very high | 90.9 | Very high | 66 Ų | 66 | 110.4 Ų | 110.4 | 35% | 0.346 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.4 | -28.8 | 178.5 | -72.9 | 171.4 | 0 | 0 | 0 | 113.6 | L424 D425 R426 R433 | L424-L428 HydrophobicContact CD1-CD1 4.2Å; L424-L428 HydrophobicContact CD1-CG 4.36Å; L424-L428 HydrophobicContact CG-CD1 4Å; L424-L428 WeakPolarHBondContact O-CB 3.39Å; L424-L428 WeakPolarHBondContact O-CG 3.34Å; L424-L428 PolarHBondContact O-N 3.41Å; D425-L428 PolarHBondContact O-N 2.99Å; R426-L428 PolarHBondContact O-N 3.33Å; L428-R433 PolarHBondContact O-NH2 3.37Å |
| 429 | R | 89.5 | Confident | 90.8 | Very high | 193 Ų | 193 | 105.6 Ų | 105.6 | 73% | 0.728 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -75.7 | -34 | 173.1 | -73.4 | 171.9 | -165.1 | -167.9 | 8.2 | 112.3 | D425 R426 M427 | D425-R429 WeakPolarHBondContact O-CB 3.35Å; D425-R429 WeakPolarHBondContact O-CG 3.15Å; D425-R429 PolarHBondContact O-N 2.95Å; D425-R429 IonicContact OD2-CZ 3.49Å; D425-R429 IonicContact OD2-NE 3.66Å; D425-R429 IonicContact OD2-NH2 3.28Å; D425-R429 PolarHBondContact OD2-NH2 2.96Å; R426-R429 PolarHBondContact O-N 3.49Å; M427-R429 VanDerWaalsContact C-N 3.33Å; M427-R429 PolarHBondContact O-N 3.37Å |
| 430 | E | 89.3 | Confident | 90.7 | Very high | 143 Ų | 143 | 99.8 Ų | 99.8 | 67% | 0.668 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -78.9 | -23.5 | 177.8 | -73.7 | -175.6 | -166.7 | 0 | 0 | 113.4 | R426 M427 E432 | R426-E430 WeakPolarHBondContact O-CG 3.29Å; R426-E430 PolarHBondContact O-N 2.74Å; M427-E430 PolarHBondContact O-N 2.63Å; E430-E432 PolarHBondContact O-N 3.11Å; E430-E432 VanDerWaalsContact O-N 3.1Å |
| 431 | Q | 89.5 | Confident | 90.5 | Very high | 116 Ų | 116 | 100.1 Ų | 100.1 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -60.1 | 115.2 | 177.4 | -171.1 | 176.7 | 30.8 | 0 | 0 | 110.5 | M427 R433 | M427-Q431 PolarHBondContact O-N 3.19Å; Q431-R433 PolarHBondContact O-N 3.07Å |
| 432 | E | 87.6 | Confident | 90.1 | Very high | 96 Ų | 96 | 102.8 Ų | 102.8 | 45% | 0.449 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 123.9 | 174.3 | -174.1 | 166.1 | -154.8 | 0 | 0 | 109.8 | E430 A439 R443 | E430-E432 PolarHBondContact O-N 3.11Å; E430-E432 VanDerWaalsContact O-N 3.1Å; E432-A439 HydrophobicContact CG-CB 4.4Å; E432-R443 VanDerWaalsContact CD-NE 3.27Å; E432-R443 IonicContact OE1-CZ 3.09Å; E432-R443 IonicContact OE1-NE 3.3Å; E432-R443 PolarHBondContact OE1-NE 2.95Å; E432-R443 IonicContact OE1-NH2 3.51Å; E432-R443 PolarHBondContact OE1-NH2 3.1Å; E432-R443 IonicContact OE2-CZ 2.8Å; E432-R443 IonicContact OE2-NE 3.16Å; E432-R443 PolarHBondContact OE2-NE 3.42Å; E432-R443 VanDerWaalsContact OE2-NE 3.11Å; E432-R443 IonicContact OE2-NH2 2.98Å; E432-R443 PolarHBondContact OE2-NH2 3.09Å |
| 433 | R | 90.7 | Very high | 89.9 | Confident | 135 Ų | 135 | 102.3 Ų | 102.3 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -99.7 | 128.8 | 177 | -64.7 | -177 | -173.2 | 79.2 | 8.9 | 109.4 | L428 Q431 G435 D436 | L428-R433 PolarHBondContact O-NH2 3.37Å; Q431-R433 PolarHBondContact O-N 3.07Å; R433-G435 PolarHBondContact O-N 2.95Å; R433-D436 PolarHBondContact O-N 3.11Å |
| 434 | E | 89.7 | Confident | 89.6 | Confident | 202 Ų | 202 | 107.6 Ų | 107.6 | 94% | 0.944 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 134.9 | 172.9 | -61.4 | -175.8 | 173.4 | 0 | 0 | 109.4 | ||
| 435 | G | 90.6 | Very high | 89.5 | Confident | 83 Ų | 83 | 111.5 Ų | 111.5 | 86% | 0.856 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | 3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R433 P437 | R433-G435 PolarHBondContact O-N 2.95Å; G435-P437 WeakPolarHBondContact O-CD 3.4Å |
| 436 | D | 93.3 | Very high | 89.1 | Confident | 65 Ų | 65 | 116 Ų | 116 | 35% | 0.348 | 56% | 0.564 | S | S | . | * | trans | -72.6 | 118.3 | 170 | 174.9 | 9.2 | 0 | 0 | 0 | 110.6 | R433 M438 A439 | R433-D436 PolarHBondContact O-N 3.11Å; D436-M438 PolarHBondContact O-N 3.12Å; D436-M438 VanDerWaalsContact O-N 3.14Å; D436-M438 WeakPolarHBondContact OD1-CB 3.42Å; D436-M438 PolarHBondContact OD1-N 3.38Å; D436-A439 HydrophobicContact CB-CB 4.1Å; D436-A439 WeakPolarHBondContact O-CB 2.83Å; D436-A439 PolarHBondContact O-N 2.9Å | ||
| 437 | P | 92.1 | Very high | 88.6 | Confident | 121 Ų | 121 | 116.4 Ų | 116.4 | 79% | 0.786 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -21.5 | 178.5 | 26.4 | -35.7 | 0 | 0 | 0 | 113.5 | G435 | G435-P437 WeakPolarHBondContact O-CD 3.4Š|
| 438 | M | 89.8 | Confident | 88.1 | Confident | 101 Ų | 101 | 120.1 Ų | 120.1 | 50% | 0.498 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.3 | -12.3 | 179.2 | -71.7 | -165.4 | 42.4 | 0 | 0 | 114.7 | D436 G440 M441 L442 | D436-M438 PolarHBondContact O-N 3.12Å; D436-M438 VanDerWaalsContact O-N 3.14Å; D436-M438 WeakPolarHBondContact OD1-CB 3.42Å; D436-M438 PolarHBondContact OD1-N 3.38Å; M438-G440 VanDerWaalsContact C-N 3.29Å; M438-G440 PolarHBondContact O-N 3.22Å; M438-M441 HydrophobicContact CB-CE 4.09Å; M438-M441 HydrophobicContact CE-CE 4.29Å; M438-M441 HydrophobicContact CG-CE 3.65Å; M438-M441 PolarHBondContact O-N 2.98Å; M438-M441 HydrophobicContact SD-CE 4.4Å; M438-L442 PolarHBondContact O-N 3.39Å; M438-L442 VanDerWaalsContact O-N 3.17Å |
| 439 | A | 89.9 | Confident | 87.5 | Confident | 13 Ų | 13 | 121.9 Ų | 121.9 | 11% | 0.107 | 59% | 0.59 | C | S | . | * | H | α-helix | trans | -55 | -42.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113 | E432 D436 M441 L442 R443 | E432-A439 HydrophobicContact CG-CB 4.4Å; D436-A439 HydrophobicContact CB-CB 4.1Å; D436-A439 WeakPolarHBondContact O-CB 2.83Å; D436-A439 PolarHBondContact O-N 2.9Å; A439-M441 VanDerWaalsContact C-N 3.32Å; A439-M441 PolarHBondContact O-N 2.95Å; A439-L442 PolarHBondContact O-N 2.91Å; A439-R443 WeakPolarHBondContact O-CG 3.28Å; A439-R443 PolarHBondContact O-N 2.95Å |
| 440 | G | 87.8 | Confident | 87 | Confident | 54 Ų | 54 | 116.9 Ų | 116.9 | 56% | 0.557 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.4 | -35.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | M438 R444 | M438-G440 VanDerWaalsContact C-N 3.29Å; M438-G440 PolarHBondContact O-N 3.22Å; G440-R444 PolarHBondContact O-N 2.84Å |
| 441 | M | 87.1 | Confident | 85.9 | Confident | 118 Ų | 118 | 116.5 Ų | 116.5 | 58% | 0.581 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.9 | -39.5 | 176.4 | -66.2 | -170.5 | -71.9 | 0 | 0 | 111.8 | M438 A439 R444 K445 | M438-M441 HydrophobicContact CB-CE 4.09Å; M438-M441 HydrophobicContact CE-CE 4.29Å; M438-M441 HydrophobicContact CG-CE 3.65Å; M438-M441 PolarHBondContact O-N 2.98Å; M438-M441 HydrophobicContact SD-CE 4.4Å; A439-M441 VanDerWaalsContact C-N 3.32Å; A439-M441 PolarHBondContact O-N 2.95Å; M441-R444 PolarHBondContact O-N 2.91Å; M441-K445 PolarHBondContact O-N 2.89Å; M441-K445 VanDerWaalsContact O-N 3.08Å |
| 442 | L | 85.9 | Confident | 85 | Confident | 96 Ų | 96 | 116.2 Ų | 116.2 | 50% | 0.503 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.1 | -43.5 | 178 | -69.4 | 165.8 | 0 | 0 | 0 | 111.4 | M438 A439 R444 K445 K446 | M438-L442 PolarHBondContact O-N 3.39Å; M438-L442 VanDerWaalsContact O-N 3.17Å; A439-L442 PolarHBondContact O-N 2.91Å; L442-R444 PolarHBondContact O-N 2.88Å; L442-K445 PolarHBondContact O-N 2.9Å; L442-K446 PolarHBondContact O-N 2.9Å |
| 443 | R | 86.3 | Confident | 84.4 | Confident | 141 Ų | 141 | 117.8 Ų | 117.8 | 53% | 0.532 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -55.5 | -51.4 | 173.3 | -74.4 | -175.6 | 174.3 | 177.8 | 4.9 | 112 | E432 A439 K445 K446 E447 | E432-R443 VanDerWaalsContact CD-NE 3.27Å; E432-R443 IonicContact OE1-CZ 3.09Å; E432-R443 IonicContact OE1-NE 3.3Å; E432-R443 PolarHBondContact OE1-NE 2.95Å; E432-R443 IonicContact OE1-NH2 3.51Å; E432-R443 PolarHBondContact OE1-NH2 3.1Å; E432-R443 IonicContact OE2-CZ 2.8Å; E432-R443 IonicContact OE2-NE 3.16Å; E432-R443 PolarHBondContact OE2-NE 3.42Å; E432-R443 VanDerWaalsContact OE2-NE 3.11Å; E432-R443 IonicContact OE2-NH2 2.98Å; E432-R443 PolarHBondContact OE2-NH2 3.09Å; A439-R443 WeakPolarHBondContact O-CG 3.28Å; A439-R443 PolarHBondContact O-N 2.95Å; R443-K445 VanDerWaalsContact C-N 3.28Å; R443-K445 PolarHBondContact O-N 3.08Å; R443-K446 WeakPolarHBondContact O-CB 3.25Å; R443-K446 PolarHBondContact O-N 3.16Å; R443-K446 VanDerWaalsContact O-N 3.08Å; R443-E447 WeakPolarHBondContact O-CG 3.47Å; R443-E447 PolarHBondContact O-N 3.31Å |
| 444 | R | 84.9 | Confident | 83.7 | Confident | 165 Ų | 165 | 115.4 Ų | 115.4 | 62% | 0.623 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.8 | -34 | -178.7 | -164.6 | 167.8 | 77 | 137.7 | -2.4 | 112.8 | G440 M441 L442 R448 | G440-R444 PolarHBondContact O-N 2.84Å; M441-R444 PolarHBondContact O-N 2.91Å; L442-R444 PolarHBondContact O-N 2.88Å; R444-R448 PolarHBondContact O-N 3.14Å |
| 445 | K | 87.1 | Confident | 83.4 | Confident | 137 Ų | 137 | 114.1 Ų | 114.1 | 60% | 0.596 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69 | -41.4 | 174.1 | -173.3 | 176.3 | 176.1 | -176.4 | 0 | 111.4 | M441 L442 R443 R448 N449 | M441-K445 PolarHBondContact O-N 2.89Å; M441-K445 VanDerWaalsContact O-N 3.08Å; L442-K445 PolarHBondContact O-N 2.9Å; R443-K445 VanDerWaalsContact C-N 3.28Å; R443-K445 PolarHBondContact O-N 3.08Å; K445-R448 PolarHBondContact O-N 3.47Å; K445-N449 VanDerWaalsContact O-CG 3.32Å; K445-N449 PolarHBondContact O-N 3.09Å; K445-N449 VanDerWaalsContact O-N 3.15Å; K445-N449 PolarHBondContact O-ND2 3.16Å |
| 446 | K | 84.9 | Confident | 83.3 | Confident | 152 Ų | 152 | 114 Ų | 114 | 66% | 0.661 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62.6 | -46 | 177.4 | -167.2 | 170.6 | -176.5 | 170.5 | 0 | 111.4 | L442 R443 R448 N449 T450 | L442-K446 PolarHBondContact O-N 2.9Å; R443-K446 WeakPolarHBondContact O-CB 3.25Å; R443-K446 PolarHBondContact O-N 3.16Å; R443-K446 VanDerWaalsContact O-N 3.08Å; K446-R448 VanDerWaalsContact C-N 3.3Å; K446-R448 PolarHBondContact O-N 2.66Å; K446-N449 PolarHBondContact O-N 2.8Å; K446-T450 WeakPolarHBondContact O-CG2 3.41Å; K446-T450 PolarHBondContact O-N 2.89Å |
| 447 | E | 82.5 | Confident | 83.1 | Confident | 140 Ų | 140 | 118.6 Ų | 118.6 | 65% | 0.654 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -59.7 | -37.7 | 176.1 | -70.6 | 172.5 | -174.9 | 0 | 0 | 113 | R443 T450 | R443-E447 WeakPolarHBondContact O-CG 3.47Å; R443-E447 PolarHBondContact O-N 3.31Å; E447-T450 PolarHBondContact O-OG1 3.39Å |
| 448 | R | 81.6 | Confident | 83.1 | Confident | 186 Ų | 186 | 114.6 Ų | 114.6 | 70% | 0.702 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -70.1 | -33 | 177.6 | -171.2 | -178.8 | -62 | -169.1 | -1.4 | 112.9 | R444 K445 K446 | R444-R448 PolarHBondContact O-N 3.14Å; K445-R448 PolarHBondContact O-N 3.47Å; K446-R448 VanDerWaalsContact C-N 3.3Å; K446-R448 PolarHBondContact O-N 2.66Å |
| 449 | N | 78.4 | Confident | 83 | Confident | 102 Ų | 102 | 118.8 Ų | 118.8 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -85.8 | -7.6 | -173.9 | -72.3 | -13.2 | 0 | 0 | 0 | 113.7 | K445 K446 T451 | K445-N449 VanDerWaalsContact O-CG 3.32Å; K445-N449 PolarHBondContact O-N 3.09Å; K445-N449 VanDerWaalsContact O-N 3.15Å; K445-N449 PolarHBondContact O-ND2 3.16Å; K446-N449 PolarHBondContact O-N 2.8Å; N449-T451 PolarHBondContact O-N 3.2Å; N449-T451 PolarHBondContact O-OG1 3.1Å |
| 450 | T | 77.1 | Confident | 83 | Confident | 89 Ų | 89 | 120 Ų | 120 | 55% | 0.546 | 61% | 0.612 | S | S | . | * | trans | -70.2 | 98.3 | 176.6 | 61.3 | 0 | 0 | 0 | 0 | 110.2 | K446 E447 | K446-T450 WeakPolarHBondContact O-CG2 3.41Å; K446-T450 PolarHBondContact O-N 2.89Å; E447-T450 PolarHBondContact O-OG1 3.39Å | ||
| 451 | T | 67.2 | Low | 83.1 | Confident | 135 Ų | 135 | 121.2 Ų | 121.2 | 83% | 0.828 | 61% | 0.61 | S | S | * | * | trans | -79.2 | -21 | -174.5 | -60.5 | 0 | 0 | 0 | 0 | 112.5 | N449 | N449-T451 PolarHBondContact O-N 3.2Å; N449-T451 PolarHBondContact O-OG1 3.1Å | ||
| 452 | T | 71.1 | Confident | 83.1 | Confident | 110 Ų | 110 | 121.4 Ų | 121.4 | 68% | 0.675 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -91.5 | 131.2 | 178.5 | 54.7 | 0 | 0 | 0 | 0 | 111.1 | A454 | T452-A454 PolarHBondContact O-N 3.42Š|
| 453 | P | 73.8 | Confident | 83.4 | Confident | 128 Ų | 128 | 119.2 Ų | 119.2 | 83% | 0.831 | 61% | 0.612 | S | S | * | * | trans | -60.5 | 113.2 | 174.7 | 25.2 | -32.5 | 0 | 0 | 0 | 109.4 | ||||
| 454 | A | 76.9 | Confident | 83.6 | Confident | 85 Ų | 85 | 115.6 Ų | 115.6 | 70% | 0.702 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 141.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | T452 | T452-A454 PolarHBondContact O-N 3.42Š|
| 455 | K | 83.4 | Confident | 83.9 | Confident | 175 Ų | 175 | 112.2 Ų | 112.2 | 76% | 0.761 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 138.6 | 168.5 | -69 | 174.9 | -178.9 | 173.4 | 0 | 108.1 | R457 | K455-R457 PolarHBondContact O-N 3.48Š|
| 456 | P | 89 | Confident | 84.2 | Confident | 81 Ų | 81 | 108.3 Ų | 108.3 | 53% | 0.526 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -56 | 136.6 | 177.7 | 24.3 | -33.5 | 0 | 0 | 0 | 109 | Y474 | P456-Y474 HydrophobicContact CB-CD1 4.23Å; P456-Y474 HydrophobicContact CB-CD2 3.91Å; P456-Y474 HydrophobicContact CB-CG 3.73Å; P456-Y474 HydrophobicContact CG-CD1 3.63Å; P456-Y474 HydrophobicContact CG-CD2 3.91Å; P456-Y474 HydrophobicContact CG-CE1 3.91Å; P456-Y474 HydrophobicContact CG-CE2 4.17Å; P456-Y474 HydrophobicContact CG-CG 3.63Å; P456-Y474 WeakPolarHBondContact O-CB 3.28Å |
| 457 | R | 88.9 | Confident | 84.6 | Confident | 162 Ų | 162 | 107 Ų | 107 | 61% | 0.611 | 58% | 0.582 | S | S | * | * | trans | -109.5 | 156.4 | 177.1 | -63.1 | 179.3 | 75.6 | 172.8 | 4.9 | 108.9 | K455 | K455-R457 PolarHBondContact O-N 3.48Š| ||
| 458 | Y | 91.9 | Very high | 85 | Confident | 36 Ų | 36 | 106.1 Ų | 106.1 | 14% | 0.141 | 58% | 0.577 | C | S | . | * | trans | -64.1 | 135 | 174.3 | 173.6 | -107.2 | 0 | 0 | 0 | 110.7 | G460 P461 P472 W476 G478 | Y458-G460 VanDerWaalsContact CE1-C 3.48Å; Y458-G460 WeakPolarHBondContact CE1-O 3.07Å; Y458-G460 VanDerWaalsContact CZ-C 3.48Å; Y458-G460 VanDerWaalsContact OH-C 3.3Å; Y458-G460 VanDerWaalsContact OH-CA 3.28Å; Y458-G460 WeakPolarHBondContact OH-CA 3.28Å; Y458-P461 WeakPolarHBondContact CE1-O 3.46Å; Y458-P461 WeakPolarHBondContact OH-CD 3.13Å; Y458-P461 PolarHBondContact OH-O 3.16Å; Y458-P461 VanDerWaalsContact OH-O 3.09Å; Y458-P472 HydrophobicContact CD1-CG 3.55Å; Y458-P472 HydrophobicContact CD2-CG 4.43Å; Y458-P472 HydrophobicContact CE1-CG 4.1Å; Y458-P472 HydrophobicContact CG-CG 3.71Å; Y458-W476 HydrophobicContact CD1-CE3 4.18Å; Y458-W476 HydrophobicContact CD1-CZ3 4.47Å; Y458-W476 HydrophobicContact CD2-CB 4.13Å; Y458-W476 AromaticContact CD2-CE3 3.99Å; Y458-W476 HydrophobicContact CD2-CE3 3.99Å; Y458-W476 WeakPolarHBondContact CD2-O 3.36Å; Y458-W476 AromaticContact CE1-CE3 3.68Å; Y458-W476 HydrophobicContact CE1-CE3 3.68Å; Y458-W476 AromaticContact CE1-CZ3 3.68Å; Y458-W476 HydrophobicContact CE1-CZ3 3.68Å; Y458-W476 HydrophobicContact CE2-CB 4.27Å; Y458-W476 HydrophobicContact CE2-CD2 4.28Å; Y458-W476 AromaticContact CE2-CE3 3.49Å; Y458-W476 HydrophobicContact CE2-CE3 3.49Å; Y458-W476 VanDerWaalsContact CE2-CE3 3.49Å; Y458-W476 HydrophobicContact CE2-CZ3 4.17Å; Y458-W476 WeakPolarHBondContact CE2-O 3.15Å; Y458-W476 HydrophobicContact CG-CE3 4.29Å; Y458-W476 AromaticContact CZ-CE3 3.29Å; Y458-W476 AromaticContact CZ-CZ3 3.47Å; Y458-W476 VanDerWaalsContact CZ-CZ3 3.47Å; Y458-W476 WeakPolarHBondContact OH-CZ3 3.1Å; Y458-G478 WeakPolarHBondContact OH-CA 3.17Å | ||
| 459 | Q | 87.9 | Confident | 85.4 | Confident | 190 Ų | 190 | 103.8 Ų | 103.8 | 89% | 0.888 | 58% | 0.578 | S | S | * | * | trans | -118.6 | 8.1 | -175.2 | -60.6 | -178.5 | 12 | 0 | 0 | 113 | ||||
| 460 | G | 88.4 | Confident | 85.9 | Confident | 38 Ų | 38 | 104.4 Ų | 104.4 | 39% | 0.392 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -89 | -169.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y458 | Y458-G460 VanDerWaalsContact CE1-C 3.48Å; Y458-G460 WeakPolarHBondContact CE1-O 3.07Å; Y458-G460 VanDerWaalsContact CZ-C 3.48Å; Y458-G460 VanDerWaalsContact OH-C 3.3Å; Y458-G460 VanDerWaalsContact OH-CA 3.28Å; Y458-G460 WeakPolarHBondContact OH-CA 3.28Å |
| 461 | P | 89.8 | Confident | 86.5 | Confident | 80 Ų | 80 | 105.7 Ų | 105.7 | 52% | 0.519 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -55.9 | 151.7 | 179.2 | 25 | -36.9 | 0 | 0 | 0 | 112.4 | Y458 P463 | Y458-P461 WeakPolarHBondContact CE1-O 3.46Å; Y458-P461 WeakPolarHBondContact OH-CD 3.13Å; Y458-P461 PolarHBondContact OH-O 3.16Å; Y458-P461 VanDerWaalsContact OH-O 3.09Å; P461-P463 VanDerWaalsContact O-N 3.17Å |
| 462 | P | 88.7 | Confident | 87.8 | Confident | 121 Ų | 121 | 100.8 Ų | 100.8 | 79% | 0.786 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 125.5 | -176.1 | 22.5 | -33.4 | 0 | 0 | 0 | 110.9 | ||
| 463 | P | 91 | Very high | 88.8 | Confident | 51 Ų | 51 | 98 Ų | 98 | 33% | 0.331 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 152.8 | -179.6 | 26.1 | -34.3 | 0 | 0 | 0 | 111.2 | P461 P472 W476 | P461-P463 VanDerWaalsContact O-N 3.17Å; P463-P472 HydrophobicContact CB-CG 3.91Å; P463-P472 HydrophobicContact CG-CG 4Å; P463-W476 HydrophobicContact CB-CE3 4.45Å; P463-W476 HydrophobicContact CB-CH2 3.89Å; P463-W476 HydrophobicContact CB-CZ3 3.55Å |
| 464 | P | 90.6 | Very high | 89.6 | Confident | 64 Ų | 64 | 97.7 Ų | 97.7 | 42% | 0.416 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 143.3 | 168.3 | 25.7 | -32.4 | 0 | 0 | 0 | 110.1 | ||
| 465 | P | 92.4 | Very high | 90.4 | Very high | 95 Ų | 95 | 103.1 Ų | 103.1 | 62% | 0.617 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 141.2 | 179.9 | 27.3 | -33.9 | 0 | 0 | 0 | 110.5 | Y490 | P465-Y490 HydrophobicContact CB-CE2 4.19Å; P465-Y490 HydrophobicContact CG-CE2 4.19Å |
| 466 | N | 92.6 | Very high | 91 | Very high | 54 Ų | 54 | 98.1 Ų | 98.1 | 29% | 0.289 | 51% | 0.506 | S | S | . | . | trans | -123.1 | 145.1 | 177.9 | 175.7 | -1 | 0 | 0 | 0 | 108.6 | F468 N469 Y490 | N466-F468 PolarHBondContact O-N 3.25Å; N466-F468 PolarHBondContact OD1-N 2.86Å; N466-N469 PolarHBondContact O-N 2.88Å; N466-Y490 PolarHBondContact O-OH 2.86Å; N466-Y490 VanDerWaalsContact O-OH 3.1Å | ||
| 467 | R | 93.5 | Very high | 91.2 | Very high | 124 Ų | 124 | 98.4 Ų | 98.4 | 47% | 0.468 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -41.9 | -36.5 | 175.7 | 178.3 | 175.7 | 70 | 172.2 | -10.3 | 114.4 | E486 Y490 | R467-E486 PolarHBondContact N-OE2 3.02Å; R467-Y490 PolarHBondContact N-OH 3.23Å; R467-Y490 VanDerWaalsContact N-OH 3.1Å |
| 468 | F | 91 | Very high | 91.3 | Very high | 122 Ų | 122 | 91.7 Ų | 91.7 | 54% | 0.535 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 2.6 | -174.6 | -59.2 | -65.7 | 0 | 0 | 0 | 114.5 | N466 I470 | N466-F468 PolarHBondContact O-N 3.25Å; N466-F468 PolarHBondContact OD1-N 2.86Å; F468-I470 HydrophobicContact CB-CD1 3.58Å; F468-I470 HydrophobicContact CB-CG1 3.71Å; F468-I470 HydrophobicContact CD2-CD1 4.42Å; F468-I470 HydrophobicContact CG-CD1 4.28Å; F468-I470 PolarHBondContact O-N 2.94Å |
| 469 | N | 89.3 | Confident | 91.3 | Very high | 138 Ų | 138 | 93.6 Ų | 93.6 | 74% | 0.738 | 50% | 0.499 | S | S | * | . | trans | 52.7 | 23.7 | -177.1 | -63.1 | 59.2 | 0 | 0 | 0 | 113.6 | N466 Q471 | N466-N469 PolarHBondContact O-N 2.88Å; N469-Q471 PolarHBondContact O-N 3.33Å | ||
| 470 | I | 89.8 | Confident | 91.5 | Very high | 115 Ų | 115 | 89 Ų | 89 | 59% | 0.59 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 122.8 | 179.7 | -63.1 | 164.8 | 0 | 0 | 0 | 108.3 | F468 | F468-I470 HydrophobicContact CB-CD1 3.58Å; F468-I470 HydrophobicContact CB-CG1 3.71Å; F468-I470 HydrophobicContact CD2-CD1 4.42Å; F468-I470 HydrophobicContact CG-CD1 4.28Å; F468-I470 PolarHBondContact O-N 2.94Å |
| 471 | Q | 89.6 | Confident | 91.6 | Very high | 116 Ų | 116 | 95.4 Ų | 95.4 | 54% | 0.542 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 142.2 | 173.2 | -68.7 | -167.8 | -14.1 | 0 | 0 | 110.6 | N469 | N469-Q471 PolarHBondContact O-N 3.33Š|
| 472 | P | 93.8 | Very high | 91.7 | Very high | 32 Ų | 32 | 95 Ų | 95 | 21% | 0.208 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 152.2 | 174.8 | 29.6 | -38.3 | 0 | 0 | 0 | 110.8 | Y458 P463 W476 | Y458-P472 HydrophobicContact CD1-CG 3.55Å; Y458-P472 HydrophobicContact CD2-CG 4.43Å; Y458-P472 HydrophobicContact CE1-CG 4.1Å; Y458-P472 HydrophobicContact CG-CG 3.71Å; P463-P472 HydrophobicContact CB-CG 3.91Å; P463-P472 HydrophobicContact CG-CG 4Å; P472-W476 HydrophobicContact CB-CB 3.85Å; P472-W476 HydrophobicContact CB-CD2 3.66Å; P472-W476 HydrophobicContact CB-CE3 3.35Å; P472-W476 HydrophobicContact CB-CG 3.9Å; P472-W476 HydrophobicContact CB-CZ3 4.16Å; P472-W476 HydrophobicContact CG-CD2 4.23Å; P472-W476 HydrophobicContact CG-CE3 3.39Å; P472-W476 HydrophobicContact CG-CZ3 3.88Å |
| 473 | G | 91.9 | Very high | 92 | Very high | 52 Ų | 52 | 96.3 Ų | 96.3 | 54% | 0.536 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 154.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R475 W476 | G473-R475 PolarHBondContact O-N 3.13Å; G473-W476 VanDerWaalsContact O-CB 3.28Å; G473-W476 WeakPolarHBondContact O-CB 3.38Å; G473-W476 PolarHBondContact O-N 3.16Å |
| 474 | Y | 92.2 | Very high | 92.2 | Very high | 120 Ų | 120 | 94.6 Ų | 94.6 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -20.3 | -176.7 | 76.1 | -86.9 | 0 | 0 | 0 | 115.6 | P456 | P456-Y474 HydrophobicContact CB-CD1 4.23Å; P456-Y474 HydrophobicContact CB-CD2 3.91Å; P456-Y474 HydrophobicContact CB-CG 3.73Å; P456-Y474 HydrophobicContact CG-CD1 3.63Å; P456-Y474 HydrophobicContact CG-CD2 3.91Å; P456-Y474 HydrophobicContact CG-CE1 3.91Å; P456-Y474 HydrophobicContact CG-CE2 4.17Å; P456-Y474 HydrophobicContact CG-CG 3.63Å; P456-Y474 WeakPolarHBondContact O-CB 3.28Å |
| 475 | R | 93.5 | Very high | 92.4 | Very high | 200 Ų | 200 | 97.5 Ų | 97.5 | 76% | 0.755 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -1.7 | -179.8 | -53.6 | 176.7 | 75.5 | 108.9 | -5.1 | 113.3 | G473 | G473-R475 PolarHBondContact O-N 3.13Š|
| 476 | W | 94.8 | Very high | 92.5 | Very high | 69 Ų | 69 | 95.4 Ų | 95.4 | 26% | 0.261 | 47% | 0.473 | S | S | . | . | trans | -64 | 140 | 175.9 | -173.7 | 52.3 | 0 | 0 | 0 | 108.8 | Y458 P463 P472 G473 | Y458-W476 HydrophobicContact CD1-CE3 4.18Å; Y458-W476 HydrophobicContact CD1-CZ3 4.47Å; Y458-W476 HydrophobicContact CD2-CB 4.13Å; Y458-W476 AromaticContact CD2-CE3 3.99Å; Y458-W476 HydrophobicContact CD2-CE3 3.99Å; Y458-W476 WeakPolarHBondContact CD2-O 3.36Å; Y458-W476 AromaticContact CE1-CE3 3.68Å; Y458-W476 HydrophobicContact CE1-CE3 3.68Å; Y458-W476 AromaticContact CE1-CZ3 3.68Å; Y458-W476 HydrophobicContact CE1-CZ3 3.68Å; Y458-W476 HydrophobicContact CE2-CB 4.27Å; Y458-W476 HydrophobicContact CE2-CD2 4.28Å; Y458-W476 AromaticContact CE2-CE3 3.49Å; Y458-W476 HydrophobicContact CE2-CE3 3.49Å; Y458-W476 VanDerWaalsContact CE2-CE3 3.49Å; Y458-W476 HydrophobicContact CE2-CZ3 4.17Å; Y458-W476 WeakPolarHBondContact CE2-O 3.15Å; Y458-W476 HydrophobicContact CG-CE3 4.29Å; Y458-W476 AromaticContact CZ-CE3 3.29Å; Y458-W476 AromaticContact CZ-CZ3 3.47Å; Y458-W476 VanDerWaalsContact CZ-CZ3 3.47Å; Y458-W476 WeakPolarHBondContact OH-CZ3 3.1Å; P463-W476 HydrophobicContact CB-CE3 4.45Å; P463-W476 HydrophobicContact CB-CH2 3.89Å; P463-W476 HydrophobicContact CB-CZ3 3.55Å; P472-W476 HydrophobicContact CB-CB 3.85Å; P472-W476 HydrophobicContact CB-CD2 3.66Å; P472-W476 HydrophobicContact CB-CE3 3.35Å; P472-W476 HydrophobicContact CB-CG 3.9Å; P472-W476 HydrophobicContact CB-CZ3 4.16Å; P472-W476 HydrophobicContact CG-CD2 4.23Å; P472-W476 HydrophobicContact CG-CE3 3.39Å; P472-W476 HydrophobicContact CG-CZ3 3.88Å; G473-W476 VanDerWaalsContact O-CB 3.28Å; G473-W476 WeakPolarHBondContact O-CB 3.38Å; G473-W476 PolarHBondContact O-N 3.16Å | ||
| 477 | D | 92.7 | Very high | 92.6 | Very high | 87 Ų | 87 | 99.7 Ų | 99.7 | 47% | 0.465 | 49% | 0.491 | S | S | . | . | trans | -93 | -0.7 | -173.3 | 63 | -10.8 | 0 | 0 | 0 | 113.2 | V479 R481 | D477-V479 VanDerWaalsContact C-N 3.28Å; D477-V479 PolarHBondContact O-N 2.97Å; D477-V479 PolarHBondContact OD1-N 3.14Å; D477-V479 VanDerWaalsContact OD1-N 3.14Å; D477-R481 VanDerWaalsContact CG-NH1 3.34Å; D477-R481 IonicContact OD1-CZ 3.78Å; D477-R481 IonicContact OD1-NH1 3.86Å; D477-R481 PolarHBondContact OD1-NH1 2.88Å; D477-R481 IonicContact OD1-NH2 3.6Å; D477-R481 IonicContact OD2-CZ 3.32Å; D477-R481 IonicContact OD2-NH1 2.7Å; D477-R481 PolarHBondContact OD2-NH1 3.29Å; D477-R481 VanDerWaalsContact OD2-NH1 3.09Å; D477-R481 IonicContact OD2-NH2 2.83Å; D477-R481 PolarHBondContact OD2-NH2 3.17Å | ||
| 478 | G | 91.6 | Very high | 92.7 | Very high | 21 Ų | 21 | 100.1 Ų | 100.1 | 22% | 0.216 | 50% | 0.496 | C | S | . | . | S | Bend | trans | 80.7 | 0.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y458 | Y458-G478 WeakPolarHBondContact OH-CA 3.17Š|
| 479 | V | 92.6 | Very high | 92.9 | Very high | 77 Ų | 77 | 97.5 Ų | 97.5 | 47% | 0.467 | 48% | 0.483 | S | S | . | . | trans | -87.7 | 120.3 | 178 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | D477 R481 | D477-V479 VanDerWaalsContact C-N 3.28Å; D477-V479 PolarHBondContact O-N 2.97Å; D477-V479 PolarHBondContact OD1-N 3.14Å; D477-V479 VanDerWaalsContact OD1-N 3.14Å; V479-R481 HydrophobicContact CG1-CG 4.4Å; V479-R481 PolarHBondContact O-N 3.42Å; V479-R481 PolarHBondContact O-NH1 3.45Å | ||
| 480 | D | 90.9 | Very high | 93.2 | Very high | 94 Ų | 94 | 94.6 Ų | 94.6 | 50% | 0.503 | 46% | 0.462 | S | S | . | . | trans | -69.1 | 122.6 | 172.8 | -172.9 | 9.3 | 0 | 0 | 0 | 110.3 | S482 | D480-S482 WeakPolarHBondContact OD1-CB 3.38Å; D480-S482 PolarHBondContact OD1-N 3.17Å; D480-S482 PolarHBondContact OD1-OG 3.28Å; D480-S482 PolarHBondContact OD2-OG 3.4Å | ||
| 481 | R | 92.4 | Very high | 93.5 | Very high | 171 Ų | 171 | 92.6 Ų | 92.6 | 65% | 0.645 | 46% | 0.456 | S | S | * | . | trans | -121.1 | 23.1 | 177.6 | -62.4 | -179.6 | 179 | 81.7 | -4.5 | 111.4 | D477 V479 | D477-R481 VanDerWaalsContact CG-NH1 3.34Å; D477-R481 IonicContact OD1-CZ 3.78Å; D477-R481 IonicContact OD1-NH1 3.86Å; D477-R481 PolarHBondContact OD1-NH1 2.88Å; D477-R481 IonicContact OD1-NH2 3.6Å; D477-R481 IonicContact OD2-CZ 3.32Å; D477-R481 IonicContact OD2-NH1 2.7Å; D477-R481 PolarHBondContact OD2-NH1 3.29Å; D477-R481 VanDerWaalsContact OD2-NH1 3.09Å; D477-R481 IonicContact OD2-NH2 2.83Å; D477-R481 PolarHBondContact OD2-NH2 3.17Å; V479-R481 HydrophobicContact CG1-CG 4.4Å; V479-R481 PolarHBondContact O-N 3.42Å; V479-R481 PolarHBondContact O-NH1 3.45Å | ||
| 482 | S | 92 | Very high | 93.8 | Very high | 72 Ų | 72 | 94.4 Ų | 94.4 | 50% | 0.503 | 46% | 0.457 | S | S | . | . | trans | -76.1 | 161.1 | -177.7 | 74.6 | 0 | 0 | 0 | 0 | 112.4 | D480 G484 | D480-S482 WeakPolarHBondContact OD1-CB 3.38Å; D480-S482 PolarHBondContact OD1-N 3.17Å; D480-S482 PolarHBondContact OD1-OG 3.28Å; D480-S482 PolarHBondContact OD2-OG 3.4Å; S482-G484 PolarHBondContact O-N 3.18Å; S482-G484 PolarHBondContact OG-N 2.94Å | ||
| 483 | N | 94.9 | Very high | 94 | Very high | 149 Ų | 149 | 96.7 Ų | 96.7 | 80% | 0.797 | 47% | 0.467 | S | S | * | . | trans | -82.5 | 12.2 | 167.8 | -170.1 | 14.9 | 0 | 0 | 0 | 112 | F485 | N483-F485 PolarHBondContact O-N 2.97Å; N483-F485 VanDerWaalsContact O-N 3.17Å | ||
| 484 | G | 94 | Very high | 94.2 | Very high | 15 Ų | 15 | 97 Ų | 97 | 16% | 0.155 | 46% | 0.464 | C | S | . | . | S | Bend | trans | 66.2 | 12.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S482 Q487 K488 | S482-G484 PolarHBondContact O-N 3.18Å; S482-G484 PolarHBondContact OG-N 2.94Å; G484-Q487 PolarHBondContact O-N 2.99Å; G484-K488 WeakPolarHBondContact O-CG 3.32Å; G484-K488 PolarHBondContact O-N 3.46Å |
| 485 | F | 95.5 | Very high | 94.5 | Very high | 124 Ų | 124 | 95.8 Ų | 95.8 | 54% | 0.544 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.6 | -47.8 | -178.7 | 174.7 | -94.8 | 0 | 0 | 0 | 112.6 | N483 Q487 K488 R489 | N483-F485 PolarHBondContact O-N 2.97Å; N483-F485 VanDerWaalsContact O-N 3.17Å; F485-Q487 VanDerWaalsContact C-N 3.32Å; F485-Q487 PolarHBondContact O-N 3.4Å; F485-K488 PolarHBondContact O-N 3.13Å; F485-R489 WeakPolarHBondContact O-CB 3.04Å; F485-R489 PolarHBondContact O-N 3.26Å |
| 486 | E | 94.6 | Very high | 94.7 | Very high | 52 Ų | 52 | 93.5 Ų | 93.5 | 24% | 0.243 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 179.9 | -68.9 | -61.1 | 146.9 | 0 | 0 | 111 | R467 R489 Y490 | R467-E486 PolarHBondContact N-OE2 3.02Å; E486-R489 WeakPolarHBondContact O-CB 3.4Å; E486-R489 PolarHBondContact O-N 3.18Å; E486-R489 VanDerWaalsContact O-N 3.17Å; E486-Y490 HydrophobicContact CB-CE2 4.46Å; E486-Y490 WeakPolarHBondContact O-CD2 3.41Å; E486-Y490 PolarHBondContact O-N 3.07Å |
| 487 | Q | 94 | Very high | 94.8 | Very high | 144 Ų | 144 | 96.2 Ų | 96.2 | 67% | 0.673 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.1 | -50.2 | 175.9 | -170.1 | 179.6 | 19.3 | 0 | 0 | 111.9 | G484 F485 R489 Y490 T491 | G484-Q487 PolarHBondContact O-N 2.99Å; F485-Q487 VanDerWaalsContact C-N 3.32Å; F485-Q487 PolarHBondContact O-N 3.4Å; Q487-R489 PolarHBondContact O-N 2.85Å; Q487-Y490 PolarHBondContact O-N 2.96Å; Q487-Y490 VanDerWaalsContact O-N 3.14Å; Q487-T491 PolarHBondContact O-N 3.03Å |
| 488 | K | 95.6 | Very high | 95.1 | Very high | 132 Ų | 132 | 94 Ų | 94 | 57% | 0.574 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61 | -30.4 | 176.2 | -71.9 | 175.8 | -179.1 | 174.5 | 0 | 112.9 | G484 F485 T491 R492 | G484-K488 WeakPolarHBondContact O-CG 3.32Å; G484-K488 PolarHBondContact O-N 3.46Å; F485-K488 PolarHBondContact O-N 3.13Å; K488-T491 WeakPolarHBondContact CA-OG1 3.21Å; K488-T491 PolarHBondContact O-OG1 3.5Å; K488-R492 WeakPolarHBondContact O-CB 3.46Å; K488-R492 PolarHBondContact O-N 3Å; K488-R492 VanDerWaalsContact O-N 3.14Å |
| 489 | R | 95.2 | Very high | 95.4 | Very high | 68 Ų | 68 | 98.2 Ų | 98.2 | 26% | 0.257 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.6 | -44.6 | 175.5 | -178 | -178.1 | 177 | -82.2 | -6.5 | 110.6 | F485 E486 Q487 R492 I493 | F485-R489 WeakPolarHBondContact O-CB 3.04Å; F485-R489 PolarHBondContact O-N 3.26Å; E486-R489 WeakPolarHBondContact O-CB 3.4Å; E486-R489 PolarHBondContact O-N 3.18Å; E486-R489 VanDerWaalsContact O-N 3.17Å; Q487-R489 PolarHBondContact O-N 2.85Å; R489-R492 PolarHBondContact O-N 3.37Å; R489-I493 HydrophobicContact CG-CD1 4.01Å; R489-I493 VanDerWaalsContact NH1-CD1 3.35Å; R489-I493 VanDerWaalsContact O-CG1 3.32Å; R489-I493 WeakPolarHBondContact O-CG1 3.29Å; R489-I493 PolarHBondContact O-N 2.91Å |
| 490 | Y | 95.5 | Very high | 95.6 | Very high | 76 Ų | 76 | 100.9 Ų | 100.9 | 30% | 0.298 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 177 | -73.8 | -63.1 | 0 | 0 | 0 | 112.4 | P465 N466 R467 E486 Q487 R492 I493 A494 | P465-Y490 HydrophobicContact CB-CE2 4.19Å; P465-Y490 HydrophobicContact CG-CE2 4.19Å; N466-Y490 PolarHBondContact O-OH 2.86Å; N466-Y490 VanDerWaalsContact O-OH 3.1Å; R467-Y490 PolarHBondContact N-OH 3.23Å; R467-Y490 VanDerWaalsContact N-OH 3.1Å; E486-Y490 HydrophobicContact CB-CE2 4.46Å; E486-Y490 WeakPolarHBondContact O-CD2 3.41Å; E486-Y490 PolarHBondContact O-N 3.07Å; Q487-Y490 PolarHBondContact O-N 2.96Å; Q487-Y490 VanDerWaalsContact O-N 3.14Å; Y490-R492 PolarHBondContact O-N 3.46Å; Y490-I493 PolarHBondContact O-N 2.94Å; Y490-A494 PolarHBondContact O-N 3.05Å |
| 491 | T | 96 | Very high | 95.9 | Very high | 74 Ų | 74 | 100.9 Ų | 100.9 | 45% | 0.454 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 174.8 | 60.8 | 0 | 0 | 0 | 0 | 110.5 | Q487 K488 I493 A494 D495 | Q487-T491 PolarHBondContact O-N 3.03Å; K488-T491 WeakPolarHBondContact CA-OG1 3.21Å; K488-T491 PolarHBondContact O-OG1 3.5Å; T491-I493 VanDerWaalsContact C-N 3.28Å; T491-I493 PolarHBondContact O-N 3.25Å; T491-A494 WeakPolarHBondContact O-CB 3.47Å; T491-A494 PolarHBondContact O-N 3.05Å; T491-A494 VanDerWaalsContact O-N 3.07Å; T491-D495 WeakPolarHBondContact O-CB 3.4Å; T491-D495 PolarHBondContact O-N 3.19Å |
| 492 | R | 96.6 | Very high | 96.2 | Very high | 154 Ų | 154 | 97.5 Ų | 97.5 | 58% | 0.581 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.8 | -37 | 177.9 | -169.7 | -173 | -62.3 | 129.1 | -0.5 | 113.2 | K488 R489 Y490 K496 | K488-R492 WeakPolarHBondContact O-CB 3.46Å; K488-R492 PolarHBondContact O-N 3Å; K488-R492 VanDerWaalsContact O-N 3.14Å; R489-R492 PolarHBondContact O-N 3.37Å; Y490-R492 PolarHBondContact O-N 3.46Å; R492-K496 VanDerWaalsContact O-CB 3.29Å; R492-K496 WeakPolarHBondContact O-CB 3.47Å; R492-K496 PolarHBondContact O-N 3.14Å |
| 493 | I | 96.5 | Very high | 96.4 | Very high | 80 Ų | 80 | 96.9 Ų | 96.9 | 41% | 0.41 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.1 | -42.9 | 176.9 | -70.9 | 167.3 | 0 | 0 | 0 | 110.7 | R489 Y490 T491 K496 K497 | R489-I493 HydrophobicContact CG-CD1 4.01Å; R489-I493 VanDerWaalsContact NH1-CD1 3.35Å; R489-I493 VanDerWaalsContact O-CG1 3.32Å; R489-I493 WeakPolarHBondContact O-CG1 3.29Å; R489-I493 PolarHBondContact O-N 2.91Å; Y490-I493 PolarHBondContact O-N 2.94Å; T491-I493 VanDerWaalsContact C-N 3.28Å; T491-I493 PolarHBondContact O-N 3.25Å; I493-K496 PolarHBondContact O-N 3.27Å; I493-K497 WeakPolarHBondContact O-CB 3.47Å; I493-K497 PolarHBondContact O-N 2.98Å |
| 494 | A | 97.4 | Very high | 96.5 | Very high | 57 Ų | 57 | 97.3 Ų | 97.3 | 47% | 0.471 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y490 T491 K496 K497 A498 | Y490-A494 PolarHBondContact O-N 3.05Å; T491-A494 WeakPolarHBondContact O-CB 3.47Å; T491-A494 PolarHBondContact O-N 3.05Å; T491-A494 VanDerWaalsContact O-N 3.07Å; A494-K496 PolarHBondContact O-N 2.91Å; A494-K497 PolarHBondContact O-N 3.37Å; A494-A498 WeakPolarHBondContact O-CB 3.5Å; A494-A498 PolarHBondContact O-N 2.87Å |
| 495 | D | 97.8 | Very high | 96.6 | Very high | 95 Ų | 95 | 103.2 Ų | 103.2 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 177.6 | -59.2 | -24.5 | 0 | 0 | 0 | 111 | T491 K497 A498 L499 | T491-D495 WeakPolarHBondContact O-CB 3.4Å; T491-D495 PolarHBondContact O-N 3.19Å; D495-K497 VanDerWaalsContact C-N 3.31Å; D495-K497 PolarHBondContact O-N 3.22Å; D495-A498 PolarHBondContact O-N 3.02Å; D495-L499 WeakPolarHBondContact O-CB 3.38Å; D495-L499 WeakPolarHBondContact O-CG 3.42Å; D495-L499 PolarHBondContact O-N 2.91Å |
| 496 | K | 97.9 | Very high | 96.7 | Very high | 152 Ų | 152 | 106.5 Ų | 106.5 | 66% | 0.661 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.2 | -42 | 176.4 | -176 | 179.3 | 179.4 | -178.5 | 0 | 111.6 | R492 I493 A494 Q500 | R492-K496 VanDerWaalsContact O-CB 3.29Å; R492-K496 WeakPolarHBondContact O-CB 3.47Å; R492-K496 PolarHBondContact O-N 3.14Å; I493-K496 PolarHBondContact O-N 3.27Å; A494-K496 PolarHBondContact O-N 2.91Å; K496-Q500 WeakPolarHBondContact O-CB 3.46Å; K496-Q500 PolarHBondContact O-N 3.3Å |
| 497 | K | 98.1 | Very high | 96.7 | Very high | 126 Ų | 126 | 107.8 Ų | 107.8 | 55% | 0.548 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 178.3 | -173.1 | 178.4 | 175.9 | -175.2 | 0 | 111.3 | I493 A494 D495 Q500 E501 | I493-K497 WeakPolarHBondContact O-CB 3.47Å; I493-K497 PolarHBondContact O-N 2.98Å; A494-K497 PolarHBondContact O-N 3.37Å; D495-K497 VanDerWaalsContact C-N 3.31Å; D495-K497 PolarHBondContact O-N 3.22Å; K497-Q500 PolarHBondContact O-N 2.81Å; K497-E501 WeakPolarHBondContact CE-OE1 3.39Å; K497-E501 WeakPolarHBondContact O-CG 3.48Å; K497-E501 PolarHBondContact O-N 3.36Å |
| 498 | A | 97.9 | Very high | 96.8 | Very high | 40 Ų | 40 | 103.4 Ų | 103.4 | 33% | 0.331 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A494 D495 Q500 E501 E502 | A494-A498 WeakPolarHBondContact O-CB 3.5Å; A494-A498 PolarHBondContact O-N 2.87Å; D495-A498 PolarHBondContact O-N 3.02Å; A498-Q500 VanDerWaalsContact C-N 3.3Å; A498-Q500 PolarHBondContact O-N 3.48Å; A498-E501 PolarHBondContact O-N 3.24Å; A498-E502 WeakPolarHBondContact O-CG 3.28Å; A498-E502 PolarHBondContact O-N 3.49Å |
| 499 | L | 97.8 | Very high | 96.7 | Very high | 110 Ų | 110 | 103.7 Ų | 103.7 | 58% | 0.576 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.7 | -36.5 | 175.9 | -72 | 173.2 | 0 | 0 | 0 | 112.8 | D495 A503 | D495-L499 WeakPolarHBondContact O-CB 3.38Å; D495-L499 WeakPolarHBondContact O-CG 3.42Å; D495-L499 PolarHBondContact O-N 2.91Å; L499-A503 WeakPolarHBondContact O-CB 3.34Å; L499-A503 PolarHBondContact O-N 3.1Å |
| 500 | Q | 97.6 | Very high | 96.3 | Very high | 134 Ų | 134 | 108.7 Ų | 108.7 | 63% | 0.626 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.8 | -41.3 | 176 | -175.7 | 179.3 | 0.9 | 0 | 0 | 111.7 | K496 K497 A498 Y504 | K496-Q500 WeakPolarHBondContact O-CB 3.46Å; K496-Q500 PolarHBondContact O-N 3.3Å; K497-Q500 PolarHBondContact O-N 2.81Å; A498-Q500 VanDerWaalsContact C-N 3.3Å; A498-Q500 PolarHBondContact O-N 3.48Å; Q500-Y504 WeakPolarHBondContact O-CB 3.34Å; Q500-Y504 PolarHBondContact O-N 3.43Å |
| 501 | E | 97.5 | Very high | 95.3 | Very high | 93 Ų | 93 | 114.8 Ų | 114.8 | 44% | 0.435 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.9 | -40.4 | 176.5 | -72.1 | 177.3 | -167.2 | 0 | 0 | 111.9 | K497 A498 K505 | K497-E501 WeakPolarHBondContact CE-OE1 3.39Å; K497-E501 WeakPolarHBondContact O-CG 3.48Å; K497-E501 PolarHBondContact O-N 3.36Å; A498-E501 PolarHBondContact O-N 3.24Å; E501-K505 VanDerWaalsContact O-CG 3.28Å; E501-K505 WeakPolarHBondContact O-CG 3.47Å; E501-K505 PolarHBondContact O-N 3.34Å |
| 502 | E | 97 | Very high | 95.3 | Very high | 101 Ų | 101 | 116.9 Ų | 116.9 | 47% | 0.472 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.3 | -54.7 | 171.5 | -72.7 | 174.2 | -176 | 0 | 0 | 110 | A498 Y504 K505 W506 | A498-E502 WeakPolarHBondContact O-CG 3.28Å; A498-E502 PolarHBondContact O-N 3.49Å; E502-Y504 PolarHBondContact O-N 3.42Å; E502-K505 WeakPolarHBondContact O-CB 3.45Å; E502-K505 PolarHBondContact O-N 3.28Å; E502-W506 PolarHBondContact O-N 3.5Å |
| 503 | A | 96.5 | Very high | 95.2 | Very high | 59 Ų | 59 | 114.9 Ų | 114.9 | 49% | 0.488 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -54.8 | -40.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L499 W506 S507 | L499-A503 WeakPolarHBondContact O-CB 3.34Å; L499-A503 PolarHBondContact O-N 3.1Å; A503-W506 PolarHBondContact O-N 2.87Å; A503-S507 VanDerWaalsContact O-CB 3.29Å; A503-S507 WeakPolarHBondContact O-CB 3.29Å; A503-S507 PolarHBondContact O-N 2.99Å; A503-S507 PolarHBondContact O-OG 2.81Å |
| 504 | Y | 97 | Very high | 95.2 | Very high | 157 Ų | 157 | 116.8 Ų | 116.8 | 62% | 0.616 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.7 | -49.7 | 174.2 | 178.2 | -105.2 | 0 | 0 | 0 | 111.9 | Q500 E502 W506 S507 V508 | Q500-Y504 WeakPolarHBondContact O-CB 3.34Å; Q500-Y504 PolarHBondContact O-N 3.43Å; E502-Y504 PolarHBondContact O-N 3.42Å; Y504-W506 VanDerWaalsContact C-N 3.35Å; Y504-W506 PolarHBondContact O-N 2.73Å; Y504-S507 WeakPolarHBondContact CA-OG 3.46Å; Y504-S507 PolarHBondContact O-N 3.19Å; Y504-S507 VanDerWaalsContact O-N 3.15Å; Y504-S507 PolarHBondContact O-OG 3.42Å; Y504-V508 HydrophobicContact CD2-CG2 4.15Å; Y504-V508 HydrophobicContact CE1-CG2 4.32Å; Y504-V508 HydrophobicContact CE2-CG2 3.75Å; Y504-V508 WeakPolarHBondContact O-CG2 3.16Å; Y504-V508 PolarHBondContact O-N 3.42Å; Y504-V508 VanDerWaalsContact O-N 3.1Å |
| 505 | K | 97.2 | Very high | 95 | Very high | 139 Ų | 139 | 120.4 Ų | 120.4 | 60% | 0.604 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -58.1 | -45.5 | 177 | -70.6 | 168.7 | -174.8 | 173.1 | 0 | 112.2 | E501 E502 S507 V508 E509 | E501-K505 VanDerWaalsContact O-CG 3.28Å; E501-K505 WeakPolarHBondContact O-CG 3.47Å; E501-K505 PolarHBondContact O-N 3.34Å; E502-K505 WeakPolarHBondContact O-CB 3.45Å; E502-K505 PolarHBondContact O-N 3.28Å; K505-S507 VanDerWaalsContact C-N 3.33Å; K505-S507 PolarHBondContact O-N 3.15Å; K505-V508 PolarHBondContact O-N 2.86Å; K505-E509 PolarHBondContact O-N 3.42Å |
| 506 | W | 96.3 | Very high | 94.9 | Very high | 194 Ų | 194 | 121.9 Ų | 121.9 | 74% | 0.735 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.1 | -38.5 | 176 | -81.2 | 81.7 | 0 | 0 | 0 | 112 | E502 A503 Y504 V508 E509 | E502-W506 PolarHBondContact O-N 3.5Å; A503-W506 PolarHBondContact O-N 2.87Å; Y504-W506 VanDerWaalsContact C-N 3.35Å; Y504-W506 PolarHBondContact O-N 2.73Å; W506-V508 VanDerWaalsContact C-N 3.29Å; W506-V508 PolarHBondContact O-N 3.11Å; W506-E509 PolarHBondContact O-N 3.48Å |
| 507 | S | 96.1 | Very high | 94.7 | Very high | 79 Ų | 79 | 119.9 Ų | 119.9 | 55% | 0.552 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.8 | -23.8 | 179.9 | 70.1 | 0 | 0 | 0 | 0 | 114.1 | A503 Y504 K505 | A503-S507 VanDerWaalsContact O-CB 3.29Å; A503-S507 WeakPolarHBondContact O-CB 3.29Å; A503-S507 PolarHBondContact O-N 2.99Å; A503-S507 PolarHBondContact O-OG 2.81Å; Y504-S507 WeakPolarHBondContact CA-OG 3.46Å; Y504-S507 PolarHBondContact O-N 3.19Å; Y504-S507 VanDerWaalsContact O-N 3.15Å; Y504-S507 PolarHBondContact O-OG 3.42Å; K505-S507 VanDerWaalsContact C-N 3.33Å; K505-S507 PolarHBondContact O-N 3.15Å |
| 508 | V | 96.5 | Very high | 94.4 | Very high | 51 Ų | 51 | 119.5 Ų | 119.5 | 31% | 0.309 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -98.4 | -4.1 | -177.9 | 178.6 | 0 | 0 | 0 | 0 | 111.8 | Y504 K505 W506 D510 M511 | Y504-V508 HydrophobicContact CD2-CG2 4.15Å; Y504-V508 HydrophobicContact CE1-CG2 4.32Å; Y504-V508 HydrophobicContact CE2-CG2 3.75Å; Y504-V508 WeakPolarHBondContact O-CG2 3.16Å; Y504-V508 PolarHBondContact O-N 3.42Å; Y504-V508 VanDerWaalsContact O-N 3.1Å; K505-V508 PolarHBondContact O-N 2.86Å; W506-V508 VanDerWaalsContact C-N 3.29Å; W506-V508 PolarHBondContact O-N 3.11Å; V508-D510 VanDerWaalsContact C-N 3.34Å; V508-D510 PolarHBondContact O-N 3.49Å; V508-M511 PolarHBondContact O-N 3.49Å |
| 509 | E | 92.3 | Very high | 94.1 | Very high | 139 Ų | 139 | 125.6 Ų | 125.6 | 65% | 0.65 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -30.8 | -172.9 | -169.4 | 165.6 | -172.2 | 0 | 0 | 114.1 | K505 W506 | K505-E509 PolarHBondContact O-N 3.42Å; W506-E509 PolarHBondContact O-N 3.48Å |
| 510 | D | 87.9 | Confident | 93.8 | Very high | 173 Ų | 173 | 126.9 Ų | 126.9 | 93% | 0.925 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 7.7 | -179.4 | -92.7 | -15.3 | 0 | 0 | 0 | 113.9 | V508 | V508-D510 VanDerWaalsContact C-N 3.34Å; V508-D510 PolarHBondContact O-N 3.49Å |
| 511 | M | 74.3 | Confident | 93.5 | Very high | 204 Ų | 204 | 126.3 Ų | 126.3 | 100% | 1.005 | 62% | 0.617 | S | S | * | * | trans | -97.3 | 0 | 169.8 | -83.7 | -151.8 | -63.5 | 0 | 0 | 111 | V508 | V508-M511 PolarHBondContact O-N 3.49Š|
Retrieved 511 of 511 residues in 787.6 ms
(Link to these results)