| 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 | 42.1 | Very low | 46.6 | Very low | 248 Ų | 248 | 181.5 Ų | 181.5 | 100% | 1.222 | 88% | 0.878 | S | S | * | * | 0 | 78.7 | 0 | -67.3 | 166.9 | 178.7 | 0 | 0 | 108.7 | |||||
| 2 | Y | 38 | Very low | 45.4 | Very low | 234 Ų | 234 | 176.8 Ų | 176.8 | 92% | 0.918 | 88% | 0.879 | S | S | * | * | trans | -89.8 | 123 | 165.1 | -83.6 | -87.3 | 0 | 0 | 0 | 107 | ||||
| 3 | N | 45.6 | Very low | 44.6 | Very low | 157 Ų | 157 | 168.8 Ų | 168.8 | 84% | 0.84 | 87% | 0.868 | S | S | * | * | trans | -167 | 122.6 | 163.9 | -120.5 | 6.3 | 0 | 0 | 0 | 109.2 | ||||
| 4 | M | 53.3 | Low | 44 | Very low | 191 Ų | 191 | 170.9 Ų | 170.9 | 94% | 0.941 | 87% | 0.873 | S | S | * | * | S | Bend | trans | 161.3 | 26.3 | 162.6 | -84.3 | -125.5 | -69 | 0 | 0 | 112.1 | ||
| 5 | M | 61.9 | Low | 43.5 | Very low | 174 Ų | 174 | 172.2 Ų | 172.2 | 86% | 0.857 | 87% | 0.874 | S | S | * | * | S | Bend | trans | -128.1 | 140.1 | 156.7 | -72.1 | -165.7 | -70.7 | 0 | 0 | 107.6 | ||
| 6 | E | 52.3 | Low | 43.1 | Very low | 183 Ų | 183 | 172.9 Ų | 172.9 | 86% | 0.855 | 87% | 0.872 | S | S | * | * | trans | 80.1 | 91.3 | -179.5 | -51.9 | -157.9 | 133.8 | 0 | 0 | 118.4 | ||||
| 7 | H | 42.9 | Very low | 42.7 | Very low | 177 Ų | 177 | 168.6 Ų | 168.6 | 82% | 0.819 | 86% | 0.862 | S | S | * | * | trans | -160.6 | 124.5 | 139.2 | -88.9 | -80.5 | 0 | 0 | 0 | 103.4 | ||||
| 8 | E | 36.6 | Very low | 42.4 | Very low | 147 Ų | 147 | 169.1 Ų | 169.1 | 69% | 0.687 | 86% | 0.86 | S | S | * | * | cis | -136.6 | 140 | 20.1 | -74.1 | -78.8 | 100.3 | 0 | 0 | 111.7 | ||||
| 9 | L | 44.9 | Very low | 42.3 | Very low | 178 Ų | 178 | 170.3 Ų | 170.3 | 93% | 0.932 | 86% | 0.862 | S | S | * | * | trans | -129.7 | 118.7 | 151.4 | -97 | 171.5 | 0 | 0 | 0 | 107 | ||||
| 10 | K | 43.9 | Very low | 42.1 | Very low | 187 Ų | 187 | 167.6 Ų | 167.6 | 81% | 0.813 | 85% | 0.854 | S | S | * | * | trans | -142.1 | 136.5 | 166.6 | -154 | 163.5 | -173 | 175.6 | 0 | 111.5 | ||||
| 11 | P | 51 | Low | 41.9 | Very low | 120 Ų | 120 | 163.9 Ų | 163.9 | 78% | 0.779 | 85% | 0.849 | S | S | * | * | trans | -102.7 | 145.7 | -165.8 | 37.9 | -34.5 | 0 | 0 | 0 | 114.4 | ||||
| 12 | S | 32.5 | Very low | 42 | Very low | 126 Ų | 126 | 159.8 Ų | 159.8 | 88% | 0.881 | 83% | 0.829 | S | S | * | * | trans | -179.5 | 130 | 152.2 | 46.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 13 | G | 35 | Very low | 42.3 | Very low | 72 Ų | 72 | 154 Ų | 154 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | cis | 125.4 | 77.6 | 16.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 14 | Q | 35.8 | Very low | 42.4 | Very low | 199 Ų | 199 | 152.3 Ų | 152.3 | 93% | 0.93 | 82% | 0.82 | S | S | * | * | trans | -164.4 | 138.9 | 156.6 | -114.2 | 168.5 | 4.6 | 0 | 0 | 111.6 | ||||
| 15 | Q | 36.5 | Very low | 42 | Very low | 190 Ų | 190 | 150.2 Ų | 150.2 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | trans | -83.1 | 137.2 | 170.2 | -63.8 | 164.9 | -18.5 | 0 | 0 | 108.7 | ||||
| 16 | Q | 37.1 | Very low | 41 | Very low | 183 Ų | 183 | 148 Ų | 148 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | -152.4 | 125.1 | 142.5 | -120.6 | 168.7 | 17.3 | 0 | 0 | 111.6 | ||||
| 17 | S | 36.3 | Very low | 40 | Very low | 100 Ų | 100 | 142.7 Ų | 142.7 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | trans | -81.9 | 125 | 175.4 | 51.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 18 | H | 38.3 | Very low | 39.6 | Very low | 177 Ų | 177 | 142.3 Ų | 142.3 | 82% | 0.819 | 81% | 0.812 | S | S | * | * | trans | -133.7 | 128.5 | 149.3 | -80.4 | -47.3 | 0 | 0 | 0 | 111 | ||||
| 19 | Q | 38.8 | Very low | 39.8 | Very low | 193 Ų | 193 | 140.3 Ų | 140.3 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -89.7 | 126 | 177 | -60 | 169.3 | 80 | 0 | 0 | 107.8 | ||||
| 20 | T | 40.1 | Very low | 39.7 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | trans | -132.7 | 89.2 | 163.5 | -51.5 | 0 | 0 | 0 | 0 | 108.2 | M22 | T20-M22 HydrophobicContact CG2-CE 3.62Å; T20-M22 HydrophobicContact CG2-CG 4.45Å | ||
| 21 | A | 36.8 | Very low | 40 | Very low | 90 Ų | 90 | 137.3 Ų | 137.3 | 74% | 0.744 | 81% | 0.809 | S | S | * | * | trans | -74.3 | 130.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 22 | M | 43.7 | Very low | 39.3 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 80% | 0.803 | 81% | 0.81 | S | S | * | * | trans | -135.2 | 115 | 166 | -63.1 | -66.3 | 160.8 | 0 | 0 | 107.4 | T20 | T20-M22 HydrophobicContact CG2-CE 3.62Å; T20-M22 HydrophobicContact CG2-CG 4.45Å | ||
| 23 | S | 44.2 | Very low | 39.7 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 154.5 | -171 | -57.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 24 | P | 48.9 | Very low | 40.2 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 130.7 | 174.3 | 31 | -33.6 | 0 | 0 | 0 | 110.8 | ||
| 25 | V | 44.9 | Very low | 40.2 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 124.9 | 169.8 | 68.1 | 0 | 0 | 0 | 0 | 110.2 | ||
| 26 | T | 40.2 | Very low | 40.7 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 143.3 | 179.8 | 45.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 27 | G | 32 | Very low | 40.8 | Very low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | 101.7 | 106.7 | 143.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 28 | N | 34.3 | Very low | 41.4 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | -150.8 | 93.3 | 127.2 | -139.4 | 14.2 | 0 | 0 | 0 | 110.9 | |||||
| 29 | S | 40.9 | Very low | 41.7 | Very low | 105 Ų | 105 | 130 Ų | 130 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -109.4 | 135 | 161.3 | -52.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 30 | H | 41.9 | Very low | 42.4 | Very low | 184 Ų | 184 | 124.6 Ų | 124.6 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | -172.9 | 163.9 | 151.3 | -106.7 | 69.3 | 0 | 0 | 0 | 109.2 | ||||
| 31 | P | 51 | Low | 43.1 | Very low | 118 Ų | 118 | 121.9 Ų | 121.9 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | -112.6 | 169.8 | -122 | 16.4 | 6.5 | 0 | 0 | 0 | 114.4 | |||||
| 32 | G | 35.8 | Very low | 44 | Very low | 79 Ų | 79 | 122.7 Ų | 122.7 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | trans | -101.4 | -178.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 33 | S | 41.3 | Very low | 44.7 | Very low | 104 Ų | 104 | 120.3 Ų | 120.3 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -160.6 | 118.6 | 160.7 | -178.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 34 | K | 46.3 | Very low | 45.4 | Very low | 200 Ų | 200 | 123.2 Ų | 123.2 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | trans | 35.5 | 118.2 | 143.8 | -52.3 | 173.4 | -174.4 | 176.1 | 0 | 119.5 | ||||
| 35 | S | 35.6 | Very low | 46.8 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | -175.1 | 127.9 | 108.4 | -160.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 36 | L | 47.1 | Very low | 48.9 | Very low | 165 Ų | 165 | 123.2 Ų | 123.2 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | 15.3 | 102.8 | 149.8 | -67.4 | 138.5 | 0 | 0 | 0 | 120.7 | ||||
| 37 | C | 37.5 | Very low | 51.4 | Low | 116 Ų | 116 | 119.3 Ų | 119.3 | 78% | 0.784 | 74% | 0.738 | S | S | * | * | trans | -173.9 | 145.3 | 132.3 | -105.7 | 0 | 0 | 0 | 0 | 108.6 | P39 | C37-P39 WeakPolarHBondContact O-CD 3.48Š| ||
| 38 | P | 49 | Very low | 54.5 | Low | 124 Ų | 124 | 124.6 Ų | 124.6 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | trans | -71 | 114.3 | 174 | 28.4 | -31.3 | 0 | 0 | 0 | 108.9 | G40 | P38-G40 PolarHBondContact O-N 3.37Š| ||
| 39 | P | 45.3 | Very low | 57.5 | Low | 118 Ų | 118 | 124.1 Ų | 124.1 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | trans | -66.6 | 126.4 | 178.3 | 28.3 | -32.6 | 0 | 0 | 0 | 108.2 | C37 G41 | C37-P39 WeakPolarHBondContact O-CD 3.48Å; P39-G41 PolarHBondContact O-N 3.43Å | ||
| 40 | G | 53.5 | Low | 60.2 | Low | 79 Ų | 79 | 121.2 Ų | 121.2 | 81% | 0.814 | 71% | 0.706 | S | S | * | * | trans | -67.1 | 86.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | P38 | P38-G40 PolarHBondContact O-N 3.37Š| ||
| 41 | G | 54.2 | Low | 62.9 | Low | 57 Ų | 57 | 115.8 Ų | 115.8 | 59% | 0.588 | 68% | 0.681 | S | S | * | * | trans | -50.7 | 143.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P39 | P39-G41 PolarHBondContact O-N 3.43Š| ||
| 42 | D | 55.8 | Low | 65.2 | Low | 107 Ų | 107 | 114.5 Ų | 114.5 | 57% | 0.572 | 67% | 0.668 | S | S | * | * | trans | -55.2 | 141.3 | -168.3 | -83.8 | -58.7 | 0 | 0 | 0 | 110.9 | M44 D45 | D42-M44 PolarHBondContact O-N 3.08Å; D42-D45 PolarHBondContact O-N 3.27Å | ||
| 43 | P | 59.3 | Low | 68.1 | Low | 114 Ų | 114 | 111.5 Ų | 111.5 | 74% | 0.74 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -11.7 | -179.2 | 26 | -34.6 | 0 | 0 | 0 | 113 | ||
| 44 | M | 58.7 | Low | 70.9 | Confident | 173 Ų | 173 | 108.6 Ų | 108.6 | 85% | 0.852 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -36.4 | 172.2 | -64 | -60.1 | -137.2 | 0 | 0 | 113.5 | D42 K46 | D42-M44 PolarHBondContact O-N 3.08Å; M44-K46 PolarHBondContact O-N 3.4Å |
| 45 | D | 78.1 | Confident | 73.3 | Confident | 122 Ų | 122 | 103.2 Ų | 103.2 | 65% | 0.652 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -15 | -179.3 | -62.8 | -28.8 | 0 | 0 | 0 | 112.4 | D42 V47 | D42-D45 PolarHBondContact O-N 3.27Å; D45-V47 PolarHBondContact O-N 3.41Å |
| 46 | K | 88.3 | Confident | 76.3 | Confident | 146 Ų | 146 | 99.3 Ų | 99.3 | 64% | 0.635 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -71.3 | 104.7 | 178.6 | -171.9 | -179.6 | 179.3 | 179.3 | 0 | 111.2 | M44 K48 | M44-K46 PolarHBondContact O-N 3.4Å; K46-K48 PolarHBondContact O-N 2.72Å; K46-K48 VanDerWaalsContact O-N 3.13Å |
| 47 | V | 94.1 | Very high | 78.8 | Confident | 46 Ų | 46 | 92.2 Ų | 92.2 | 28% | 0.279 | 52% | 0.522 | S | S | . | . | trans | -40.4 | 116.6 | 169.1 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | D45 H107 Y111 Y114 | D45-V47 PolarHBondContact O-N 3.41Å; V47-H107 WeakPolarHBondContact CG1-CE1 3.16Å; V47-Y111 HydrophobicContact CB-CD1 4.5Å; V47-Y111 HydrophobicContact CG1-CD1 3.93Å; V47-Y111 HydrophobicContact CG1-CD2 3.78Å; V47-Y111 HydrophobicContact CG1-CE1 4.12Å; V47-Y111 HydrophobicContact CG1-CE2 3.97Å; V47-Y111 HydrophobicContact CG1-CG 3.74Å; V47-Y111 HydrophobicContact CG2-CD1 3.69Å; V47-Y111 HydrophobicContact CG2-CE1 3.69Å; V47-Y111 HydrophobicContact CG2-CG 4.34Å; V47-Y114 HydrophobicContact CB-CD2 3.95Å; V47-Y114 HydrophobicContact CB-CE2 3.99Å; V47-Y114 HydrophobicContact CG1-CD2 3.48Å; V47-Y114 VanDerWaalsContact CG1-CD2 3.48Å; V47-Y114 HydrophobicContact CG1-CE2 3.65Å; V47-Y114 HydrophobicContact CG1-CG 4.47Å; V47-Y114 WeakPolarHBondContact O-CE2 3.13Å | ||
| 48 | K | 95.9 | Very high | 81.7 | Confident | 181 Ų | 181 | 86.7 Ų | 86.7 | 79% | 0.787 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 147.3 | -177 | -67.7 | 167.6 | 69.4 | 172.2 | 0 | 110.4 | K46 H107 | K46-K48 PolarHBondContact O-N 2.72Å; K46-K48 VanDerWaalsContact O-N 3.13Å; K48-H107 PolarHBondContact O-CE1 2.89Å |
| 49 | R | 97.6 | Very high | 84 | Confident | 161 Ų | 161 | 89 Ų | 89 | 61% | 0.608 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 143.1 | 176.2 | -64.4 | 171.7 | 70.9 | -166.2 | 2.4 | 110.6 | Y114 Y116 | R49-Y114 WeakPolarHBondContact CG-OH 3.25Å; R49-Y116 HydrophobicContact CG-CD2 4.41Å |
| 50 | P | 98 | Very high | 86.4 | Confident | 44 Ų | 44 | 85 Ų | 85 | 29% | 0.286 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 150.2 | 169.8 | 27.8 | -32.8 | 0 | 0 | 0 | 110.3 | H107 | P50-H107 HydrophobicContact CB-CB 3.98Å; P50-H107 HydrophobicContact CG-CB 4.12Å |
| 51 | M | 98.3 | Very high | 88.6 | Confident | 70 Ų | 70 | 84.2 Ų | 84.2 | 35% | 0.345 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 136.8 | 179 | -65.4 | -173.6 | -65.7 | 0 | 0 | 110.7 | M55 V56 L103 | M51-M55 HydrophobicContact CB-CB 3.98Å; M51-M55 HydrophobicContact CG-CB 4.29Å; M51-V56 HydrophobicContact CB-CG2 3.82Å; M51-V56 HydrophobicContact CE-CG2 4.37Å; M51-L103 HydrophobicContact CB-CD1 4.3Å; M51-L103 HydrophobicContact CE-CD1 3.9Å |
| 52 | N | 98.6 | Very high | 90.6 | Very high | 90 Ų | 90 | 84.3 Ų | 84.3 | 48% | 0.481 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 170.7 | 168.1 | 71 | 18.3 | 0 | 0 | 0 | 110.7 | F54 M55 V56 | N52-F54 VanDerWaalsContact C-N 3.33Å; N52-F54 PolarHBondContact O-N 3.15Å; N52-F54 PolarHBondContact OD1-N 2.98Å; N52-M55 WeakPolarHBondContact O-CA 3.48Å; N52-M55 PolarHBondContact O-N 3.16Å; N52-M55 WeakPolarHBondContact OD1-CB 3.41Å; N52-M55 VanDerWaalsContact OD1-CG 3.22Å; N52-M55 WeakPolarHBondContact OD1-CG 2.78Å; N52-M55 PolarHBondContact OD1-N 3.06Å; N52-V56 WeakPolarHBondContact O-CG2 3.46Å; N52-V56 PolarHBondContact O-N 3.29Å |
| 53 | A | 98.2 | Very high | 92.6 | Very high | 16 Ų | 16 | 88.2 Ų | 88.2 | 13% | 0.132 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -52.4 | -47.1 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | M55 V56 W57 W85 F96 I97 A100 | A53-M55 VanDerWaalsContact C-N 3.35Å; A53-M55 PolarHBondContact O-N 3.36Å; A53-V56 PolarHBondContact O-N 3.08Å; A53-W57 PolarHBondContact O-N 2.99Å; A53-W85 HydrophobicContact CB-CH2 3.96Å; A53-W85 HydrophobicContact CB-CZ2 3.99Å; A53-F96 WeakPolarHBondContact CA-O 3.41Å; A53-I97 HydrophobicContact CB-CB 4.48Å; A53-I97 HydrophobicContact CB-CG1 3.85Å; A53-A100 HydrophobicContact CB-CB 4.17Å; A53-A100 VanDerWaalsContact N-CB 3.3Å |
| 54 | F | 98.5 | Very high | 94.5 | Very high | 44 Ų | 44 | 88.2 Ų | 88.2 | 19% | 0.193 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 175.5 | 172.2 | -99.9 | 0 | 0 | 0 | 112.8 | N52 W57 S58 W85 | N52-F54 VanDerWaalsContact C-N 3.33Å; N52-F54 PolarHBondContact O-N 3.15Å; N52-F54 PolarHBondContact OD1-N 2.98Å; F54-W57 AromaticContact CD2-CE3 3.98Å; F54-W57 HydrophobicContact CD2-CE3 3.98Å; F54-W57 HydrophobicContact CD2-CZ3 4.1Å; F54-W57 HydrophobicContact CE2-CE3 4.11Å; F54-W57 AromaticContact CE2-CZ3 3.8Å; F54-W57 HydrophobicContact CE2-CZ3 3.8Å; F54-S58 WeakPolarHBondContact O-CB 3.3Å; F54-S58 PolarHBondContact O-N 2.88Å; F54-S58 PolarHBondContact O-OG 2.88Å; F54-W85 HydrophobicContact CB-CD2 4.37Å; F54-W85 HydrophobicContact CD2-CB 3.74Å; F54-W85 AromaticContact CD2-CD1 3.92Å; F54-W85 AromaticContact CD2-CD2 3.96Å; F54-W85 HydrophobicContact CD2-CD2 3.96Å; F54-W85 AromaticContact CD2-CG 3.56Å; F54-W85 HydrophobicContact CD2-CG 3.56Å; F54-W85 HydrophobicContact CE2-CB 3.95Å; F54-W85 HydrophobicContact CE2-CG 4.27Å |
| 55 | M | 98.4 | Very high | 96.2 | Very high | 86 Ų | 86 | 80.9 Ų | 80.9 | 42% | 0.424 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71.8 | -32.2 | 178.1 | -69.4 | -66.5 | 175.1 | 0 | 0 | 112.5 | M51 N52 A53 R59 | M51-M55 HydrophobicContact CB-CB 3.98Å; M51-M55 HydrophobicContact CG-CB 4.29Å; N52-M55 WeakPolarHBondContact O-CA 3.48Å; N52-M55 PolarHBondContact O-N 3.16Å; N52-M55 WeakPolarHBondContact OD1-CB 3.41Å; N52-M55 VanDerWaalsContact OD1-CG 3.22Å; N52-M55 WeakPolarHBondContact OD1-CG 2.78Å; N52-M55 PolarHBondContact OD1-N 3.06Å; A53-M55 VanDerWaalsContact C-N 3.35Å; A53-M55 PolarHBondContact O-N 3.36Å; M55-R59 PolarHBondContact O-N 3.15Å |
| 56 | V | 98.5 | Very high | 97.2 | Very high | 27 Ų | 27 | 77 Ų | 77 | 16% | 0.164 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.3 | -56 | 171 | 177.5 | 0 | 0 | 0 | 0 | 109.8 | M51 N52 A53 R59 F96 E99 A100 L103 | M51-V56 HydrophobicContact CB-CG2 3.82Å; M51-V56 HydrophobicContact CE-CG2 4.37Å; N52-V56 WeakPolarHBondContact O-CG2 3.46Å; N52-V56 PolarHBondContact O-N 3.29Å; A53-V56 PolarHBondContact O-N 3.08Å; V56-R59 WeakPolarHBondContact O-CB 3.4Å; V56-R59 PolarHBondContact O-N 3.3Å; V56-F96 HydrophobicContact CG1-CD1 4.16Å; V56-E99 HydrophobicContact CG1-CB 4.33Å; V56-E99 HydrophobicContact CG1-CG 3.74Å; V56-E99 HydrophobicContact CG2-CG 4.41Å; V56-A100 HydrophobicContact CG2-CB 4.3Å; V56-L103 HydrophobicContact CG2-CD1 3.72Å |
| 57 | W | 98.5 | Very high | 97.6 | Very high | 15 Ų | 15 | 77.7 Ų | 77.7 | 6% | 0.057 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.8 | -51.7 | -179.5 | 170.4 | 83.9 | 0 | 0 | 0 | 112.9 | A53 F54 R59 G60 Q61 L81 E84 W85 L88 F96 | A53-W57 PolarHBondContact O-N 2.99Å; F54-W57 AromaticContact CD2-CE3 3.98Å; F54-W57 HydrophobicContact CD2-CE3 3.98Å; F54-W57 HydrophobicContact CD2-CZ3 4.1Å; F54-W57 HydrophobicContact CE2-CE3 4.11Å; F54-W57 AromaticContact CE2-CZ3 3.8Å; F54-W57 HydrophobicContact CE2-CZ3 3.8Å; W57-R59 PolarHBondContact O-N 3.07Å; W57-R59 VanDerWaalsContact O-N 3.1Å; W57-G60 PolarHBondContact O-N 3.08Å; W57-Q61 HydrophobicContact CD2-CG 4.2Å; W57-Q61 HydrophobicContact CH2-CG 4.33Å; W57-Q61 HydrophobicContact CZ2-CB 4.46Å; W57-Q61 HydrophobicContact CZ2-CG 3.75Å; W57-L81 HydrophobicContact CH2-CB 4.17Å; W57-L81 HydrophobicContact CH2-CD2 3.84Å; W57-L81 WeakPolarHBondContact CH2-O 3.48Å; W57-L81 HydrophobicContact CZ3-CB 3.93Å; W57-L81 HydrophobicContact CZ3-CD2 4.18Å; W57-L81 VanDerWaalsContact CZ3-O 3.27Å; W57-L81 WeakPolarHBondContact CZ3-O 3.49Å; W57-E84 HydrophobicContact CH2-CB 3.84Å; W57-E84 HydrophobicContact CZ2-CB 4.23Å; W57-W85 HydrophobicContact CB-CE3 4.01Å; W57-W85 HydrophobicContact CB-CZ3 3.61Å; W57-W85 AromaticContact CD2-CE3 3.52Å; W57-W85 HydrophobicContact CD2-CE3 3.52Å; W57-W85 AromaticContact CD2-CZ3 4Å; W57-W85 HydrophobicContact CD2-CZ3 4Å; W57-W85 HydrophobicContact CE3-CB 4.17Å; W57-W85 HydrophobicContact CE3-CD2 4.28Å; W57-W85 AromaticContact CE3-CE3 3.59Å; W57-W85 HydrophobicContact CE3-CE3 3.59Å; W57-W85 HydrophobicContact CE3-CZ3 4.39Å; W57-W85 AromaticContact CG-CE3 3.7Å; W57-W85 HydrophobicContact CG-CE3 3.7Å; W57-W85 AromaticContact CG-CZ3 3.64Å; W57-W85 HydrophobicContact CG-CZ3 3.64Å; W57-W85 HydrophobicContact CH2-CB 4.11Å; W57-W85 HydrophobicContact CZ3-CB 3.74Å; W57-W85 HydrophobicContact CZ3-CE3 4.3Å; W57-L88 HydrophobicContact CD2-CD1 4.43Å; W57-L88 HydrophobicContact CZ2-CD1 3.98Å; W57-F96 HydrophobicContact CB-CB 4.2Å; W57-F96 HydrophobicContact CB-CD1 3.79Å; W57-F96 HydrophobicContact CB-CD2 4.17Å; W57-F96 HydrophobicContact CB-CE1 4.23Å; W57-F96 HydrophobicContact CB-CG 3.76Å; W57-F96 AromaticContact CD1-CD2 3.89Å; W57-F96 AromaticContact CD1-CE2 3.58Å; W57-F96 AromaticContact CD1-CZ 3.68Å; W57-F96 HydrophobicContact CG-CD2 4.37Å; W57-F96 HydrophobicContact CG-CE2 4.44Å; W57-F96 HydrophobicContact CG-CG 4.42Å |
| 58 | S | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.6 | -15.1 | -175.8 | 66.7 | 0 | 0 | 0 | 0 | 113.3 | F54 R62 | F54-S58 WeakPolarHBondContact O-CB 3.3Å; F54-S58 PolarHBondContact O-N 2.88Å; F54-S58 PolarHBondContact O-OG 2.88Å; S58-R62 WeakPolarHBondContact O-CB 3.37Å; S58-R62 PolarHBondContact O-N 3.44Å; S58-R62 PolarHBondContact O-NH1 3.07Å; S58-R62 PolarHBondContact OG-NH1 3.42Å |
| 59 | R | 97.9 | Very high | 97.5 | Very high | 173 Ų | 173 | 75.5 Ų | 75.5 | 65% | 0.653 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.2 | -42.6 | 174.9 | -171.1 | 179.1 | -176.8 | -164.8 | 0.9 | 111.7 | M55 V56 W57 | M55-R59 PolarHBondContact O-N 3.15Å; V56-R59 WeakPolarHBondContact O-CB 3.4Å; V56-R59 PolarHBondContact O-N 3.3Å; W57-R59 PolarHBondContact O-N 3.07Å; W57-R59 VanDerWaalsContact O-N 3.1Å |
| 60 | G | 96.8 | Very high | 97.3 | Very high | 33 Ų | 33 | 73.2 Ų | 73.2 | 34% | 0.34 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71 | -51.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | W57 R62 R63 K64 | W57-G60 PolarHBondContact O-N 3.08Å; G60-R62 PolarHBondContact O-N 3.42Å; G60-R63 WeakPolarHBondContact O-CB 3.31Å; G60-R63 PolarHBondContact O-N 3.1Å; G60-K64 PolarHBondContact O-N 3.31Å; G60-K64 VanDerWaalsContact O-N 3.1Å |
| 61 | Q | 97.8 | Very high | 97.2 | Very high | 64 Ų | 64 | 81.1 Ų | 81.1 | 30% | 0.299 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.3 | -39.3 | -175.3 | -55.4 | -56.8 | -13.5 | 0 | 0 | 112.9 | W57 R63 K64 M65 L81 | W57-Q61 HydrophobicContact CD2-CG 4.2Å; W57-Q61 HydrophobicContact CH2-CG 4.33Å; W57-Q61 HydrophobicContact CZ2-CB 4.46Å; W57-Q61 HydrophobicContact CZ2-CG 3.75Å; Q61-R63 VanDerWaalsContact C-N 3.27Å; Q61-R63 PolarHBondContact O-N 3.18Å; Q61-K64 PolarHBondContact O-N 3.47Å; Q61-M65 WeakPolarHBondContact O-CG 3.43Å; Q61-M65 PolarHBondContact O-N 2.97Å; Q61-L81 HydrophobicContact CB-CD1 4.49Å; Q61-L81 HydrophobicContact CB-CD2 3.38Å; Q61-L81 HydrophobicContact CG-CD2 4.41Å |
| 62 | R | 98 | Very high | 97 | Very high | 58 Ų | 58 | 79.4 Ų | 79.4 | 22% | 0.219 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58 | -39.2 | 173.6 | -179.5 | -174.5 | -76.1 | 105.3 | 0.5 | 112.1 | S58 G60 A66 I77 S78 L81 | S58-R62 WeakPolarHBondContact O-CB 3.37Å; S58-R62 PolarHBondContact O-N 3.44Å; S58-R62 PolarHBondContact O-NH1 3.07Å; S58-R62 PolarHBondContact OG-NH1 3.42Å; G60-R62 PolarHBondContact O-N 3.42Å; R62-A66 WeakPolarHBondContact O-CB 3.2Å; R62-A66 PolarHBondContact O-N 3.32Å; R62-I77 HydrophobicContact CB-CG2 4.3Å; R62-I77 HydrophobicContact CG-CG2 3.99Å; R62-S78 PolarHBondContact NH2-OG 3.07Å; R62-L81 HydrophobicContact CB-CD1 3.7Å |
| 63 | R | 97.8 | Very high | 97 | Very high | 189 Ų | 189 | 81.9 Ų | 81.9 | 71% | 0.713 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -68 | -43.8 | 177.4 | -178.2 | 175 | 61 | -162.4 | -0.5 | 111 | G60 Q61 A66 Q67 | G60-R63 WeakPolarHBondContact O-CB 3.31Å; G60-R63 PolarHBondContact O-N 3.1Å; Q61-R63 VanDerWaalsContact C-N 3.27Å; Q61-R63 PolarHBondContact O-N 3.18Å; R63-A66 PolarHBondContact O-N 3.17Å; R63-Q67 WeakPolarHBondContact O-CB 3.41Å; R63-Q67 PolarHBondContact O-N 2.81Å; R63-Q67 VanDerWaalsContact O-N 3.08Å |
| 64 | K | 97.6 | Very high | 96.9 | Very high | 115 Ų | 115 | 84.8 Ų | 84.8 | 50% | 0.5 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.8 | -56.1 | 174.8 | -178.7 | -177.7 | 170 | -176.6 | 0 | 111.2 | G60 Q61 A66 Q67 E68 | G60-K64 PolarHBondContact O-N 3.31Å; G60-K64 VanDerWaalsContact O-N 3.1Å; Q61-K64 PolarHBondContact O-N 3.47Å; K64-A66 VanDerWaalsContact C-N 3.31Å; K64-A66 PolarHBondContact O-N 2.9Å; K64-Q67 WeakPolarHBondContact O-CB 3.34Å; K64-Q67 PolarHBondContact O-N 3.49Å; K64-E68 WeakPolarHBondContact CE-OE1 3.47Å; K64-E68 WeakPolarHBondContact CG-OE1 3.36Å; K64-E68 IonicContact NZ-OE1 3.86Å; K64-E68 WeakPolarHBondContact O-CG 3.32Å; K64-E68 PolarHBondContact O-N 3.03Å |
| 65 | M | 96.3 | Very high | 96.8 | Very high | 19 Ų | 19 | 85.9 Ų | 85.9 | 9% | 0.094 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.3 | -37.8 | -179.3 | -67 | -171.6 | 80.9 | 0 | 0 | 113.4 | Q61 Q67 N69 I77 R80 L81 | Q61-M65 WeakPolarHBondContact O-CG 3.43Å; Q61-M65 PolarHBondContact O-N 2.97Å; M65-Q67 VanDerWaalsContact C-N 3.34Å; M65-N69 WeakPolarHBondContact O-CB 2.97Å; M65-N69 PolarHBondContact O-N 3.47Å; M65-N69 PolarHBondContact O-ND2 2.77Å; M65-I77 HydrophobicContact CB-CG1 4.5Å; M65-I77 HydrophobicContact CB-CG2 3.95Å; M65-I77 HydrophobicContact SD-CG2 3.95Å; M65-R80 HydrophobicContact CE-CB 3.87Å; M65-R80 HydrophobicContact CE-CG 4.41Å; M65-L81 HydrophobicContact CG-CD2 4.5Å; M65-L81 HydrophobicContact SD-CD2 3.52Å; M65-L81 VanDerWaalsContact SD-CD2 3.52Å; M65-L81 HydrophobicContact SD-CG 3.78Å |
| 66 | A | 97.1 | Very high | 96.8 | Very high | 40 Ų | 40 | 84.4 Ų | 84.4 | 33% | 0.331 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.3 | -32.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R62 R63 K64 N69 P70 I77 | R62-A66 WeakPolarHBondContact O-CB 3.2Å; R62-A66 PolarHBondContact O-N 3.32Å; R63-A66 PolarHBondContact O-N 3.17Å; K64-A66 VanDerWaalsContact C-N 3.31Å; K64-A66 PolarHBondContact O-N 2.9Å; A66-N69 CarbonylContact O-C 3.39Å; A66-P70 VanDerWaalsContact O-CA 3.3Å; A66-P70 WeakPolarHBondContact O-CA 3.35Å; A66-I77 HydrophobicContact CB-CD1 3.94Å |
| 67 | Q | 97.1 | Very high | 96.8 | Very high | 161 Ų | 161 | 83.2 Ų | 83.2 | 75% | 0.752 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -73.2 | -40.7 | 175.6 | -170.5 | 62.7 | 43.5 | 0 | 0 | 111.7 | R63 K64 M65 N69 | R63-Q67 WeakPolarHBondContact O-CB 3.41Å; R63-Q67 PolarHBondContact O-N 2.81Å; R63-Q67 VanDerWaalsContact O-N 3.08Å; K64-Q67 WeakPolarHBondContact O-CB 3.34Å; K64-Q67 PolarHBondContact O-N 3.49Å; M65-Q67 VanDerWaalsContact C-N 3.34Å; Q67-N69 VanDerWaalsContact C-N 3.35Å |
| 68 | E | 95.4 | Very high | 96.7 | Very high | 114 Ų | 114 | 84.3 Ų | 84.3 | 53% | 0.533 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -71 | -30.9 | 176.7 | -68.5 | 167.9 | 169.1 | 0 | 0 | 112.2 | K64 | K64-E68 WeakPolarHBondContact CE-OE1 3.47Å; K64-E68 WeakPolarHBondContact CG-OE1 3.36Å; K64-E68 IonicContact NZ-OE1 3.86Å; K64-E68 WeakPolarHBondContact O-CG 3.32Å; K64-E68 PolarHBondContact O-N 3.03Å |
| 69 | N | 92.3 | Very high | 96.7 | Very high | 67 Ų | 67 | 90.6 Ų | 90.6 | 36% | 0.358 | 44% | 0.44 | S | S | . | . | trans | -131.8 | 69.8 | -176.2 | -60.2 | -101.4 | 0 | 0 | 0 | 111 | M65 A66 Q67 K71 M72 | M65-N69 WeakPolarHBondContact O-CB 2.97Å; M65-N69 PolarHBondContact O-N 3.47Å; M65-N69 PolarHBondContact O-ND2 2.77Å; A66-N69 CarbonylContact O-C 3.39Å; Q67-N69 VanDerWaalsContact C-N 3.35Å; N69-K71 PolarHBondContact O-N 3.1Å; N69-M72 HydrophobicContact CB-CB 3.71Å; N69-M72 HydrophobicContact CB-CE 3.83Å; N69-M72 HydrophobicContact CB-SD 4.5Å; N69-M72 VanDerWaalsContact O-CB 3.31Å; N69-M72 WeakPolarHBondContact O-CB 3.29Å; N69-M72 PolarHBondContact O-N 2.65Å | ||
| 70 | P | 93.9 | Very high | 96.7 | Very high | 113 Ų | 113 | 87.7 Ų | 87.7 | 73% | 0.734 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -17.7 | -174.3 | 24.8 | -34.9 | 0 | 0 | 0 | 114.4 | A66 | A66-P70 VanDerWaalsContact O-CA 3.3Å; A66-P70 WeakPolarHBondContact O-CA 3.35Å |
| 71 | K | 95.9 | Very high | 96.8 | Very high | 209 Ų | 209 | 86.1 Ų | 86.1 | 91% | 0.909 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -9.1 | 172.9 | -63.4 | -176.9 | 179.9 | 179 | 0 | 113.7 | N69 | N69-K71 PolarHBondContact O-N 3.1Š|
| 72 | M | 95.3 | Very high | 96.8 | Very high | 35 Ų | 35 | 84.1 Ų | 84.1 | 17% | 0.172 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -81.2 | 123 | -177 | -170.8 | -176.3 | -65 | 0 | 0 | 111 | N69 E76 I77 | N69-M72 HydrophobicContact CB-CB 3.71Å; N69-M72 HydrophobicContact CB-CE 3.83Å; N69-M72 HydrophobicContact CB-SD 4.5Å; N69-M72 VanDerWaalsContact O-CB 3.31Å; N69-M72 WeakPolarHBondContact O-CB 3.29Å; N69-M72 PolarHBondContact O-N 2.65Å; M72-E76 HydrophobicContact CG-CB 3.95Å; M72-E76 HydrophobicContact CG-CG 3.8Å; M72-E76 HydrophobicContact SD-CB 4.42Å; M72-E76 HydrophobicContact SD-CG 3.89Å; M72-I77 HydrophobicContact CB-CD1 4.48Å; M72-I77 HydrophobicContact CB-CG1 4.28Å; M72-I77 HydrophobicContact CG-CG1 3.82Å; M72-I77 HydrophobicContact SD-CG1 3.57Å; M72-I77 VanDerWaalsContact SD-CG1 3.57Å |
| 73 | H | 97.1 | Very high | 96.9 | Very high | 141 Ų | 141 | 83.9 Ų | 83.9 | 65% | 0.653 | 42% | 0.42 | S | S | * | . | trans | -70.8 | 149.7 | -178.9 | -166.1 | 62.9 | 0 | 0 | 0 | 112.5 | S75 E76 I77 | H73-S75 PolarHBondContact CD2-OG 2.97Å; H73-S75 PolarHBondContact O-N 3.23Å; H73-S75 VanDerWaalsContact O-N 3.14Å; H73-E76 WeakPolarHBondContact O-CB 3.47Å; H73-E76 PolarHBondContact O-N 3.41Å; H73-I77 PolarHBondContact O-N 2.98Å | ||
| 74 | N | 96.1 | Very high | 96.9 | Very high | 77 Ų | 77 | 78.6 Ų | 78.6 | 41% | 0.412 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.2 | -26.4 | -171.1 | -158.5 | -84.8 | 0 | 0 | 0 | 114.2 | E76 S78 | N74-E76 VanDerWaalsContact C-N 3.31Å; N74-S78 VanDerWaalsContact O-CB 3.27Å; N74-S78 WeakPolarHBondContact O-CB 3.35Å; N74-S78 PolarHBondContact O-N 2.94Å; N74-S78 PolarHBondContact O-OG 3.36Å; N74-S78 PolarHBondContact OD1-OG 2.89Å |
| 75 | S | 97.4 | Very high | 96.9 | Very high | 68 Ų | 68 | 75.2 Ų | 75.2 | 48% | 0.476 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.5 | -33.1 | 174 | 67 | 0 | 0 | 0 | 0 | 112.4 | H73 K79 | H73-S75 PolarHBondContact CD2-OG 2.97Å; H73-S75 PolarHBondContact O-N 3.23Å; H73-S75 VanDerWaalsContact O-N 3.14Å; S75-K79 VanDerWaalsContact O-CE 3.31Å; S75-K79 WeakPolarHBondContact O-CE 3.4Å; S75-K79 WeakPolarHBondContact O-CG 3.43Å; S75-K79 PolarHBondContact O-N 3.36Å; S75-K79 VanDerWaalsContact O-N 3.11Å |
| 76 | E | 97.8 | Very high | 97 | Very high | 55 Ų | 55 | 82.1 Ų | 82.1 | 26% | 0.257 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -75.7 | -45.9 | 176 | -179.3 | 58.2 | -161 | 0 | 0 | 111 | M72 H73 N74 S78 K79 R80 | M72-E76 HydrophobicContact CG-CB 3.95Å; M72-E76 HydrophobicContact CG-CG 3.8Å; M72-E76 HydrophobicContact SD-CB 4.42Å; M72-E76 HydrophobicContact SD-CG 3.89Å; H73-E76 WeakPolarHBondContact O-CB 3.47Å; H73-E76 PolarHBondContact O-N 3.41Å; N74-E76 VanDerWaalsContact C-N 3.31Å; E76-S78 VanDerWaalsContact C-N 3.3Å; E76-S78 PolarHBondContact O-N 3.25Å; E76-K79 WeakPolarHBondContact O-CB 3.45Å; E76-K79 PolarHBondContact O-N 2.89Å; E76-K79 VanDerWaalsContact O-N 3.15Å; E76-K79 WeakPolarHBondContact OE2-CE 3.42Å; E76-K79 IonicContact OE2-NZ 2.63Å; E76-K79 PolarHBondContact OE2-NZ 3.19Å; E76-R80 PolarHBondContact O-N 3.15Å; E76-R80 IonicContact OE1-CZ 3.35Å; E76-R80 IonicContact OE1-NE 2.81Å; E76-R80 PolarHBondContact OE1-NE 2.63Å; E76-R80 IonicContact OE1-NH2 2.97Å; E76-R80 PolarHBondContact OE1-NH2 3.38Å |
| 77 | I | 97.8 | Very high | 97 | Very high | 2 Ų | 2 | 87.4 Ų | 87.4 | 1% | 0.01 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -54.9 | -48.5 | 172.2 | -61.4 | 173.4 | 0 | 0 | 0 | 110.1 | R62 M65 A66 M72 H73 K79 R80 L81 | R62-I77 HydrophobicContact CB-CG2 4.3Å; R62-I77 HydrophobicContact CG-CG2 3.99Å; M65-I77 HydrophobicContact CB-CG1 4.5Å; M65-I77 HydrophobicContact CB-CG2 3.95Å; M65-I77 HydrophobicContact SD-CG2 3.95Å; A66-I77 HydrophobicContact CB-CD1 3.94Å; M72-I77 HydrophobicContact CB-CD1 4.48Å; M72-I77 HydrophobicContact CB-CG1 4.28Å; M72-I77 HydrophobicContact CG-CG1 3.82Å; M72-I77 HydrophobicContact SD-CG1 3.57Å; M72-I77 VanDerWaalsContact SD-CG1 3.57Å; H73-I77 PolarHBondContact O-N 2.98Å; I77-K79 VanDerWaalsContact C-N 3.31Å; I77-K79 PolarHBondContact O-N 3.23Å; I77-R80 PolarHBondContact O-N 2.95Å; I77-L81 HydrophobicContact CG2-CD1 3.79Å; I77-L81 HydrophobicContact CG2-CG 4.23Å; I77-L81 VanDerWaalsContact O-CG 3.29Å; I77-L81 WeakPolarHBondContact O-CG 3.35Å; I77-L81 PolarHBondContact O-N 3.36Å |
| 78 | S | 98 | Very high | 97.1 | Very high | 37 Ų | 37 | 81.4 Ų | 81.4 | 26% | 0.259 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.5 | -28.6 | -178.9 | -62.4 | 0 | 0 | 0 | 0 | 113.4 | R62 N74 E76 G82 | R62-S78 PolarHBondContact NH2-OG 3.07Å; N74-S78 VanDerWaalsContact O-CB 3.27Å; N74-S78 WeakPolarHBondContact O-CB 3.35Å; N74-S78 PolarHBondContact O-N 2.94Å; N74-S78 PolarHBondContact O-OG 3.36Å; N74-S78 PolarHBondContact OD1-OG 2.89Å; E76-S78 VanDerWaalsContact C-N 3.3Å; E76-S78 PolarHBondContact O-N 3.25Å; S78-G82 PolarHBondContact O-N 2.97Å; S78-G82 VanDerWaalsContact O-N 3.15Å |
| 79 | K | 98.4 | Very high | 97.2 | Very high | 132 Ų | 132 | 79.6 Ų | 79.6 | 57% | 0.574 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.4 | -49.1 | 170.7 | -87.1 | -179.1 | -83.3 | 152.1 | 0 | 111.4 | S75 E76 I77 G82 A83 | S75-K79 VanDerWaalsContact O-CE 3.31Å; S75-K79 WeakPolarHBondContact O-CE 3.4Å; S75-K79 WeakPolarHBondContact O-CG 3.43Å; S75-K79 PolarHBondContact O-N 3.36Å; S75-K79 VanDerWaalsContact O-N 3.11Å; E76-K79 WeakPolarHBondContact O-CB 3.45Å; E76-K79 PolarHBondContact O-N 2.89Å; E76-K79 VanDerWaalsContact O-N 3.15Å; E76-K79 WeakPolarHBondContact OE2-CE 3.42Å; E76-K79 IonicContact OE2-NZ 2.63Å; E76-K79 PolarHBondContact OE2-NZ 3.19Å; I77-K79 VanDerWaalsContact C-N 3.31Å; I77-K79 PolarHBondContact O-N 3.23Å; K79-G82 PolarHBondContact O-N 3.3Å; K79-A83 PolarHBondContact O-N 3.17Å |
| 80 | R | 98 | Very high | 97.5 | Very high | 112 Ų | 112 | 82.1 Ų | 82.1 | 42% | 0.423 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63 | -48.3 | -179.6 | -66.5 | 178.1 | -173.3 | -151.2 | 1.4 | 112.2 | M65 E76 I77 G82 A83 E84 | M65-R80 HydrophobicContact CE-CB 3.87Å; M65-R80 HydrophobicContact CE-CG 4.41Å; E76-R80 PolarHBondContact O-N 3.15Å; E76-R80 IonicContact OE1-CZ 3.35Å; E76-R80 IonicContact OE1-NE 2.81Å; E76-R80 PolarHBondContact OE1-NE 2.63Å; E76-R80 IonicContact OE1-NH2 2.97Å; E76-R80 PolarHBondContact OE1-NH2 3.38Å; I77-R80 PolarHBondContact O-N 2.95Å; R80-G82 PolarHBondContact O-N 3.42Å; R80-A83 WeakPolarHBondContact O-CA 3.45Å; R80-A83 WeakPolarHBondContact O-CB 3.27Å; R80-A83 PolarHBondContact O-N 3.14Å; R80-E84 PolarHBondContact O-N 3.3Å |
| 81 | L | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -58.3 | -34.5 | 174.2 | -66.9 | 178.6 | 0 | 0 | 0 | 112.8 | W57 Q61 R62 M65 I77 A83 W85 | W57-L81 HydrophobicContact CH2-CB 4.17Å; W57-L81 HydrophobicContact CH2-CD2 3.84Å; W57-L81 WeakPolarHBondContact CH2-O 3.48Å; W57-L81 HydrophobicContact CZ3-CB 3.93Å; W57-L81 HydrophobicContact CZ3-CD2 4.18Å; W57-L81 VanDerWaalsContact CZ3-O 3.27Å; W57-L81 WeakPolarHBondContact CZ3-O 3.49Å; Q61-L81 HydrophobicContact CB-CD1 4.49Å; Q61-L81 HydrophobicContact CB-CD2 3.38Å; Q61-L81 HydrophobicContact CG-CD2 4.41Å; R62-L81 HydrophobicContact CB-CD1 3.7Å; M65-L81 HydrophobicContact CG-CD2 4.5Å; M65-L81 HydrophobicContact SD-CD2 3.52Å; M65-L81 VanDerWaalsContact SD-CD2 3.52Å; M65-L81 HydrophobicContact SD-CG 3.78Å; I77-L81 HydrophobicContact CG2-CD1 3.79Å; I77-L81 HydrophobicContact CG2-CG 4.23Å; I77-L81 VanDerWaalsContact O-CG 3.29Å; I77-L81 WeakPolarHBondContact O-CG 3.35Å; I77-L81 PolarHBondContact O-N 3.36Å; L81-A83 VanDerWaalsContact C-N 3.29Å; L81-A83 PolarHBondContact O-N 2.98Å; L81-W85 WeakPolarHBondContact O-CB 3.47Å; L81-W85 PolarHBondContact O-N 2.71Å |
| 82 | G | 98.3 | Very high | 97.8 | Very high | 23 Ų | 23 | 75 Ų | 75 | 24% | 0.237 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.7 | -25.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | S78 K79 R80 K86 | S78-G82 PolarHBondContact O-N 2.97Å; S78-G82 VanDerWaalsContact O-N 3.15Å; K79-G82 PolarHBondContact O-N 3.3Å; R80-G82 PolarHBondContact O-N 3.42Å; G82-K86 WeakPolarHBondContact O-CG 3.27Å |
| 83 | A | 98.4 | Very high | 97.9 | Very high | 52 Ų | 52 | 74.7 Ų | 74.7 | 43% | 0.43 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -80.9 | -50 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | K79 R80 L81 W85 K86 L87 | K79-A83 PolarHBondContact O-N 3.17Å; R80-A83 WeakPolarHBondContact O-CA 3.45Å; R80-A83 WeakPolarHBondContact O-CB 3.27Å; R80-A83 PolarHBondContact O-N 3.14Å; L81-A83 VanDerWaalsContact C-N 3.29Å; L81-A83 PolarHBondContact O-N 2.98Å; A83-W85 VanDerWaalsContact C-N 3.33Å; A83-W85 PolarHBondContact O-N 3.05Å; A83-K86 WeakPolarHBondContact O-CB 3.29Å; A83-K86 PolarHBondContact O-N 2.94Å; A83-L87 PolarHBondContact O-N 2.67Å |
| 84 | E | 98.1 | Very high | 98 | Very high | 78 Ų | 78 | 76 Ų | 76 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -54 | -45.9 | 176.4 | -73.2 | 168.4 | -153.6 | 0 | 0 | 112.2 | W57 R80 K86 L87 L88 | W57-E84 HydrophobicContact CH2-CB 3.84Å; W57-E84 HydrophobicContact CZ2-CB 4.23Å; R80-E84 PolarHBondContact O-N 3.3Å; E84-K86 PolarHBondContact O-N 2.94Å; E84-L87 PolarHBondContact O-N 3.1Å; E84-L88 PolarHBondContact O-N 3.29Å; E84-L88 VanDerWaalsContact O-N 3.1Å |
| 85 | W | 98.4 | Very high | 98.1 | Very high | 44 Ų | 44 | 76 Ų | 76 | 17% | 0.167 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.4 | -30.9 | 177.1 | 178 | -101.6 | 0 | 0 | 0 | 113.9 | A53 F54 W57 L81 A83 L88 K93 F96 | A53-W85 HydrophobicContact CB-CH2 3.96Å; A53-W85 HydrophobicContact CB-CZ2 3.99Å; F54-W85 HydrophobicContact CB-CD2 4.37Å; F54-W85 HydrophobicContact CD2-CB 3.74Å; F54-W85 AromaticContact CD2-CD1 3.92Å; F54-W85 AromaticContact CD2-CD2 3.96Å; F54-W85 HydrophobicContact CD2-CD2 3.96Å; F54-W85 AromaticContact CD2-CG 3.56Å; F54-W85 HydrophobicContact CD2-CG 3.56Å; F54-W85 HydrophobicContact CE2-CB 3.95Å; F54-W85 HydrophobicContact CE2-CG 4.27Å; W57-W85 HydrophobicContact CB-CE3 4.01Å; W57-W85 HydrophobicContact CB-CZ3 3.61Å; W57-W85 AromaticContact CD2-CE3 3.52Å; W57-W85 HydrophobicContact CD2-CE3 3.52Å; W57-W85 AromaticContact CD2-CZ3 4Å; W57-W85 HydrophobicContact CD2-CZ3 4Å; W57-W85 HydrophobicContact CE3-CB 4.17Å; W57-W85 HydrophobicContact CE3-CD2 4.28Å; W57-W85 AromaticContact CE3-CE3 3.59Å; W57-W85 HydrophobicContact CE3-CE3 3.59Å; W57-W85 HydrophobicContact CE3-CZ3 4.39Å; W57-W85 AromaticContact CG-CE3 3.7Å; W57-W85 HydrophobicContact CG-CE3 3.7Å; W57-W85 AromaticContact CG-CZ3 3.64Å; W57-W85 HydrophobicContact CG-CZ3 3.64Å; W57-W85 HydrophobicContact CH2-CB 4.11Å; W57-W85 HydrophobicContact CZ3-CB 3.74Å; W57-W85 HydrophobicContact CZ3-CE3 4.3Å; L81-W85 WeakPolarHBondContact O-CB 3.47Å; L81-W85 PolarHBondContact O-N 2.71Å; A83-W85 VanDerWaalsContact C-N 3.33Å; A83-W85 PolarHBondContact O-N 3.05Å; W85-L88 HydrophobicContact CE3-CD1 3.78Å; W85-L88 HydrophobicContact CZ3-CD1 4.16Å; W85-K93 HydrophobicContact CE3-CG 4.47Å; W85-K93 HydrophobicContact CH2-CB 3.92Å; W85-K93 HydrophobicContact CH2-CG 3.72Å; W85-K93 HydrophobicContact CZ2-CB 4.29Å; W85-K93 HydrophobicContact CZ2-CD 4.35Å; W85-K93 HydrophobicContact CZ2-CG 3.88Å; W85-K93 HydrophobicContact CZ3-CG 4.03Å; W85-K93 WeakPolarHBondContact O-CE 3.4Å; W85-F96 HydrophobicContact CH2-CB 4.18Å; W85-F96 HydrophobicContact CZ3-CB 4.36Å; W85-F96 HydrophobicContact CZ3-CD2 4.27Å |
| 86 | K | 98.2 | Very high | 98.1 | Very high | 164 Ų | 164 | 75.7 Ų | 75.7 | 71% | 0.713 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -72.9 | -35.1 | 176.4 | -69.9 | 175 | 178.5 | -175.3 | 0 | 111.6 | G82 A83 E84 | G82-K86 WeakPolarHBondContact O-CG 3.27Å; A83-K86 WeakPolarHBondContact O-CB 3.29Å; A83-K86 PolarHBondContact O-N 2.94Å; E84-K86 PolarHBondContact O-N 2.94Å |
| 87 | L | 98.1 | Very high | 98.2 | Very high | 151 Ų | 151 | 76 Ų | 76 | 79% | 0.791 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -75.7 | -26.9 | -179 | -63.5 | 173.5 | 0 | 0 | 0 | 113.4 | A83 E84 | A83-L87 PolarHBondContact O-N 2.67Å; E84-L87 PolarHBondContact O-N 3.1Å |
| 88 | L | 97.9 | Very high | 98.2 | Very high | 35 Ų | 35 | 79.3 Ų | 79.3 | 18% | 0.183 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -56.2 | 139.5 | 173.8 | -67.5 | 177.2 | 0 | 0 | 0 | 111.5 | W57 E84 W85 E92 K93 | W57-L88 HydrophobicContact CD2-CD1 4.43Å; W57-L88 HydrophobicContact CZ2-CD1 3.98Å; E84-L88 PolarHBondContact O-N 3.29Å; E84-L88 VanDerWaalsContact O-N 3.1Å; W85-L88 HydrophobicContact CE3-CD1 3.78Å; W85-L88 HydrophobicContact CZ3-CD1 4.16Å; L88-E92 HydrophobicContact CB-CB 4.31Å; L88-E92 HydrophobicContact CD2-CB 4.24Å; L88-K93 HydrophobicContact CB-CG 4.05Å; L88-K93 WeakPolarHBondContact O-CE 3.11Å; L88-K93 PolarHBondContact O-NZ 3Å |
| 89 | T | 98.4 | Very high | 98.2 | Very high | 76 Ų | 76 | 80.5 Ų | 80.5 | 47% | 0.466 | 41% | 0.408 | S | S | . | . | trans | -68.8 | 160.8 | 171.8 | 64.5 | 0 | 0 | 0 | 0 | 111.4 | A91 E92 K93 | T89-A91 PolarHBondContact O-N 2.82Å; T89-E92 WeakPolarHBondContact CB-OE2 3.48Å; T89-E92 WeakPolarHBondContact CG2-OE2 3.27Å; T89-E92 PolarHBondContact N-OE2 3.28Å; T89-E92 PolarHBondContact O-N 2.98Å; T89-E92 WeakPolarHBondContact OG1-CG 2.99Å; T89-E92 PolarHBondContact OG1-N 3.41Å; T89-E92 PolarHBondContact OG1-OE2 2.93Å; T89-K93 WeakPolarHBondContact O-CG 3.32Å; T89-K93 PolarHBondContact O-N 3.42Å | ||
| 90 | D | 97.6 | Very high | 98.2 | Very high | 121 Ų | 121 | 74.8 Ų | 74.8 | 65% | 0.647 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.7 | -23.9 | 176.6 | -69.1 | -21.4 | 0 | 0 | 0 | 112.8 | K93 R94 | D90-K93 WeakPolarHBondContact OD1-CD 3.42Å; D90-K93 IonicContact OD1-NZ 2.72Å; D90-R94 WeakPolarHBondContact O-CB 3.27Å; D90-R94 PolarHBondContact O-N 3Å |
| 91 | A | 98.1 | Very high | 98.3 | Very high | 74 Ų | 74 | 75.3 Ų | 75.3 | 61% | 0.612 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64.7 | -45.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T89 R94 P95 | T89-A91 PolarHBondContact O-N 2.82Å; A91-R94 VanDerWaalsContact O-CB 3.27Å; A91-R94 WeakPolarHBondContact O-CB 3.1Å; A91-R94 PolarHBondContact O-N 2.98Å; A91-P95 WeakPolarHBondContact O-CD 3.49Å |
| 92 | E | 97.9 | Very high | 98.3 | Very high | 97 Ų | 97 | 81.2 Ų | 81.2 | 45% | 0.453 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.8 | -33.8 | 176.7 | -67.3 | 163 | 111.2 | 0 | 0 | 112.5 | L88 T89 R94 P95 F96 | L88-E92 HydrophobicContact CB-CB 4.31Å; L88-E92 HydrophobicContact CD2-CB 4.24Å; T89-E92 WeakPolarHBondContact CB-OE2 3.48Å; T89-E92 WeakPolarHBondContact CG2-OE2 3.27Å; T89-E92 PolarHBondContact N-OE2 3.28Å; T89-E92 PolarHBondContact O-N 2.98Å; T89-E92 WeakPolarHBondContact OG1-CG 2.99Å; T89-E92 PolarHBondContact OG1-N 3.41Å; T89-E92 PolarHBondContact OG1-OE2 2.93Å; E92-R94 VanDerWaalsContact C-N 3.35Å; E92-P95 WeakPolarHBondContact O-CD 3.45Å; E92-F96 VanDerWaalsContact O-CD2 3.27Å; E92-F96 WeakPolarHBondContact O-CD2 3.47Å; E92-F96 VanDerWaalsContact O-CE2 3.29Å; E92-F96 WeakPolarHBondContact O-CE2 3.34Å |
| 93 | K | 98.3 | Very high | 98.3 | Very high | 30 Ų | 30 | 82 Ų | 82 | 13% | 0.13 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -70.4 | -29.9 | 174.8 | -68.9 | 162.3 | 173.8 | 148 | 0 | 112.5 | W85 L88 T89 D90 F96 I97 | W85-K93 HydrophobicContact CE3-CG 4.47Å; W85-K93 HydrophobicContact CH2-CB 3.92Å; W85-K93 HydrophobicContact CH2-CG 3.72Å; W85-K93 HydrophobicContact CZ2-CB 4.29Å; W85-K93 HydrophobicContact CZ2-CD 4.35Å; W85-K93 HydrophobicContact CZ2-CG 3.88Å; W85-K93 HydrophobicContact CZ3-CG 4.03Å; W85-K93 WeakPolarHBondContact O-CE 3.4Å; L88-K93 HydrophobicContact CB-CG 4.05Å; L88-K93 WeakPolarHBondContact O-CE 3.11Å; L88-K93 PolarHBondContact O-NZ 3Å; T89-K93 WeakPolarHBondContact O-CG 3.32Å; T89-K93 PolarHBondContact O-N 3.42Å; D90-K93 WeakPolarHBondContact OD1-CD 3.42Å; D90-K93 IonicContact OD1-NZ 2.72Å; K93-F96 PolarHBondContact O-N 3.15Å; K93-I97 HydrophobicContact CB-CD1 3.83Å; K93-I97 HydrophobicContact CB-CG1 4.43Å; K93-I97 WeakPolarHBondContact O-CG1 3.32Å; K93-I97 PolarHBondContact O-N 3.18Å |
| 94 | R | 98.4 | Very high | 98.3 | Very high | 168 Ų | 168 | 87.4 Ų | 87.4 | 63% | 0.634 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -47.6 | -53.9 | -173.8 | -153.8 | 172.4 | -171.7 | 140.8 | -0.9 | 114.8 | D90 A91 E92 F96 I97 D98 | D90-R94 WeakPolarHBondContact O-CB 3.27Å; D90-R94 PolarHBondContact O-N 3Å; A91-R94 VanDerWaalsContact O-CB 3.27Å; A91-R94 WeakPolarHBondContact O-CB 3.1Å; A91-R94 PolarHBondContact O-N 2.98Å; E92-R94 VanDerWaalsContact C-N 3.35Å; R94-F96 VanDerWaalsContact C-N 3.28Å; R94-F96 PolarHBondContact O-N 3.33Å; R94-I97 WeakPolarHBondContact O-CB 3.43Å; R94-I97 PolarHBondContact O-N 3.39Å; R94-I97 VanDerWaalsContact O-N 3.12Å; R94-D98 PolarHBondContact O-N 2.71Å |
| 95 | P | 98.4 | Very high | 98.3 | Very high | 76 Ų | 76 | 86.7 Ų | 86.7 | 49% | 0.494 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.9 | -36.7 | 178.7 | 22.2 | -34.6 | 0 | 0 | 0 | 113.2 | A91 E92 E99 | A91-P95 WeakPolarHBondContact O-CD 3.49Å; E92-P95 WeakPolarHBondContact O-CD 3.45Å; P95-E99 WeakPolarHBondContact O-CB 3.31Å; P95-E99 PolarHBondContact O-N 3.36Å |
| 96 | F | 98.4 | Very high | 98.3 | Very high | 62 Ų | 62 | 87.2 Ų | 87.2 | 27% | 0.272 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -76.3 | -30.2 | 178.6 | -51.4 | -72.4 | 0 | 0 | 0 | 112.7 | A53 V56 W57 W85 E92 K93 R94 A100 | A53-F96 WeakPolarHBondContact CA-O 3.41Å; V56-F96 HydrophobicContact CG1-CD1 4.16Å; W57-F96 HydrophobicContact CB-CB 4.2Å; W57-F96 HydrophobicContact CB-CD1 3.79Å; W57-F96 HydrophobicContact CB-CD2 4.17Å; W57-F96 HydrophobicContact CB-CE1 4.23Å; W57-F96 HydrophobicContact CB-CG 3.76Å; W57-F96 AromaticContact CD1-CD2 3.89Å; W57-F96 AromaticContact CD1-CE2 3.58Å; W57-F96 AromaticContact CD1-CZ 3.68Å; W57-F96 HydrophobicContact CG-CD2 4.37Å; W57-F96 HydrophobicContact CG-CE2 4.44Å; W57-F96 HydrophobicContact CG-CG 4.42Å; W85-F96 HydrophobicContact CH2-CB 4.18Å; W85-F96 HydrophobicContact CZ3-CB 4.36Å; W85-F96 HydrophobicContact CZ3-CD2 4.27Å; E92-F96 VanDerWaalsContact O-CD2 3.27Å; E92-F96 WeakPolarHBondContact O-CD2 3.47Å; E92-F96 VanDerWaalsContact O-CE2 3.29Å; E92-F96 WeakPolarHBondContact O-CE2 3.34Å; K93-F96 PolarHBondContact O-N 3.15Å; R94-F96 VanDerWaalsContact C-N 3.28Å; R94-F96 PolarHBondContact O-N 3.33Å; F96-A100 VanDerWaalsContact O-CB 3.26Å; F96-A100 WeakPolarHBondContact O-CB 3.47Å; F96-A100 PolarHBondContact O-N 2.68Å |
| 97 | I | 98.3 | Very high | 98.3 | Very high | 62 Ų | 62 | 80.3 Ų | 80.3 | 32% | 0.318 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.7 | -47.2 | 171.2 | -70.6 | 167.1 | 0 | 0 | 0 | 110 | A53 K93 R94 A100 K101 | A53-I97 HydrophobicContact CB-CB 4.48Å; A53-I97 HydrophobicContact CB-CG1 3.85Å; K93-I97 HydrophobicContact CB-CD1 3.83Å; K93-I97 HydrophobicContact CB-CG1 4.43Å; K93-I97 WeakPolarHBondContact O-CG1 3.32Å; K93-I97 PolarHBondContact O-N 3.18Å; R94-I97 WeakPolarHBondContact O-CB 3.43Å; R94-I97 PolarHBondContact O-N 3.39Å; R94-I97 VanDerWaalsContact O-N 3.12Å; I97-A100 PolarHBondContact O-N 2.92Å; I97-K101 WeakPolarHBondContact O-CG 3.48Å; I97-K101 PolarHBondContact O-N 3.21Å |
| 98 | D | 98.6 | Very high | 98.3 | Very high | 71 Ų | 71 | 77.3 Ų | 77.3 | 38% | 0.38 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71.6 | -37.4 | -177.9 | -66.1 | -29.7 | 0 | 0 | 0 | 112 | R94 A100 K101 R102 | R94-D98 PolarHBondContact O-N 2.71Å; D98-A100 PolarHBondContact O-N 3.12Å; D98-K101 WeakPolarHBondContact O-CB 3.44Å; D98-K101 PolarHBondContact O-N 3.47Å; D98-K101 WeakPolarHBondContact OD1-CE 3.4Å; D98-K101 IonicContact OD1-NZ 3.43Å; D98-K101 PolarHBondContact OD1-NZ 3.32Å; D98-R102 PolarHBondContact O-N 3.24Å |
| 99 | E | 98.5 | Very high | 98.3 | Very high | 62 Ų | 62 | 83.9 Ų | 83.9 | 29% | 0.29 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 169.8 | 176.1 | 56.3 | -165.7 | 0 | 0 | 112.2 | V56 P95 K101 R102 L103 | V56-E99 HydrophobicContact CG1-CB 4.33Å; V56-E99 HydrophobicContact CG1-CG 3.74Å; V56-E99 HydrophobicContact CG2-CG 4.41Å; P95-E99 WeakPolarHBondContact O-CB 3.31Å; P95-E99 PolarHBondContact O-N 3.36Å; E99-K101 PolarHBondContact O-N 3.28Å; E99-R102 WeakPolarHBondContact O-CB 3.48Å; E99-R102 PolarHBondContact O-N 2.92Å; E99-R102 IonicContact OE1-CZ 2.68Å; E99-R102 IonicContact OE1-NE 3.51Å; E99-R102 IonicContact OE1-NH2 3.58Å; E99-R102 PolarHBondContact OE1-NH2 3.11Å; E99-R102 IonicContact OE2-CZ 3.55Å; E99-R102 IonicContact OE2-NE 3.55Å; E99-R102 PolarHBondContact OE2-NE 2.72Å; E99-R102 IonicContact OE2-NH2 2.71Å; E99-R102 PolarHBondContact OE2-NH2 2.86Å; E99-L103 HydrophobicContact CG-CD1 4.24Å; E99-L103 WeakPolarHBondContact O-CB 3.26Å; E99-L103 WeakPolarHBondContact O-CG 3.44Å; E99-L103 PolarHBondContact O-N 3.47Å; E99-L103 WeakPolarHBondContact OE1-CG 3.47Å |
| 100 | A | 98.5 | Very high | 98.2 | Very high | 12 Ų | 12 | 84.5 Ų | 84.5 | 10% | 0.099 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67.2 | -34.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A53 V56 F96 I97 D98 R104 | A53-A100 HydrophobicContact CB-CB 4.17Å; A53-A100 VanDerWaalsContact N-CB 3.3Å; V56-A100 HydrophobicContact CG2-CB 4.3Å; F96-A100 VanDerWaalsContact O-CB 3.26Å; F96-A100 WeakPolarHBondContact O-CB 3.47Å; F96-A100 PolarHBondContact O-N 2.68Å; I97-A100 PolarHBondContact O-N 2.92Å; D98-A100 PolarHBondContact O-N 3.12Å; A100-R104 WeakPolarHBondContact O-CB 3.44Å; A100-R104 PolarHBondContact O-N 3.31Å |
| 101 | K | 98.7 | Very high | 98.2 | Very high | 123 Ų | 123 | 83.7 Ų | 83.7 | 54% | 0.535 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 169.7 | -68.5 | 169.9 | -168.1 | 159.9 | 0 | 110.5 | I97 D98 E99 R104 A105 | I97-K101 WeakPolarHBondContact O-CG 3.48Å; I97-K101 PolarHBondContact O-N 3.21Å; D98-K101 WeakPolarHBondContact O-CB 3.44Å; D98-K101 PolarHBondContact O-N 3.47Å; D98-K101 WeakPolarHBondContact OD1-CE 3.4Å; D98-K101 IonicContact OD1-NZ 3.43Å; D98-K101 PolarHBondContact OD1-NZ 3.32Å; E99-K101 PolarHBondContact O-N 3.28Å; K101-R104 PolarHBondContact O-N 3.26Å; K101-A105 PolarHBondContact O-N 3.04Å |
| 102 | R | 98.7 | Very high | 98.1 | Very high | 125 Ų | 125 | 84.7 Ų | 84.7 | 47% | 0.472 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.9 | -49.4 | 177.9 | -167.6 | -164.6 | 68.5 | 80 | 2.4 | 111.4 | D98 E99 R104 A105 V106 | D98-R102 PolarHBondContact O-N 3.24Å; E99-R102 WeakPolarHBondContact O-CB 3.48Å; E99-R102 PolarHBondContact O-N 2.92Å; E99-R102 IonicContact OE1-CZ 2.68Å; E99-R102 IonicContact OE1-NE 3.51Å; E99-R102 IonicContact OE1-NH2 3.58Å; E99-R102 PolarHBondContact OE1-NH2 3.11Å; E99-R102 IonicContact OE2-CZ 3.55Å; E99-R102 IonicContact OE2-NE 3.55Å; E99-R102 PolarHBondContact OE2-NE 2.72Å; E99-R102 IonicContact OE2-NH2 2.71Å; E99-R102 PolarHBondContact OE2-NH2 2.86Å; R102-R104 VanDerWaalsContact C-N 3.3Å; R102-R104 PolarHBondContact O-N 3.43Å; R102-A105 PolarHBondContact O-N 3.25Å; R102-A105 VanDerWaalsContact O-N 3.17Å; R102-V106 WeakPolarHBondContact O-CG2 3.22Å; R102-V106 PolarHBondContact O-N 2.96Å |
| 103 | L | 98.5 | Very high | 97.9 | Very high | 39 Ų | 39 | 87.6 Ų | 87.6 | 20% | 0.204 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.1 | -38.1 | 175.9 | -71.7 | 172 | 0 | 0 | 0 | 112.3 | M51 V56 E99 H107 | M51-L103 HydrophobicContact CB-CD1 4.3Å; M51-L103 HydrophobicContact CE-CD1 3.9Å; V56-L103 HydrophobicContact CG2-CD1 3.72Å; E99-L103 HydrophobicContact CG-CD1 4.24Å; E99-L103 WeakPolarHBondContact O-CB 3.26Å; E99-L103 WeakPolarHBondContact O-CG 3.44Å; E99-L103 PolarHBondContact O-N 3.47Å; E99-L103 WeakPolarHBondContact OE1-CG 3.47Å; L103-H107 WeakPolarHBondContact O-CB 3.42Å; L103-H107 PolarHBondContact O-N 2.9Å |
| 104 | R | 98.1 | Very high | 97.8 | Very high | 166 Ų | 166 | 88.9 Ų | 88.9 | 63% | 0.626 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.8 | -41.8 | 174.4 | -177.2 | 179.7 | 177.7 | -176.9 | -1.8 | 112.1 | A100 K101 R102 H107 M108 | A100-R104 WeakPolarHBondContact O-CB 3.44Å; A100-R104 PolarHBondContact O-N 3.31Å; K101-R104 PolarHBondContact O-N 3.26Å; R102-R104 VanDerWaalsContact C-N 3.3Å; R102-R104 PolarHBondContact O-N 3.43Å; R104-H107 PolarHBondContact O-N 2.91Å; R104-M108 HydrophobicContact CG-CG 4.43Å; R104-M108 WeakPolarHBondContact O-CG 3.2Å; R104-M108 PolarHBondContact O-N 3.38Å |
| 105 | A | 98.3 | Very high | 97.6 | Very high | 62 Ų | 62 | 88.6 Ų | 88.6 | 51% | 0.512 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.6 | -46.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K101 R102 H107 M108 K109 | K101-A105 PolarHBondContact O-N 3.04Å; R102-A105 PolarHBondContact O-N 3.25Å; R102-A105 VanDerWaalsContact O-N 3.17Å; A105-H107 VanDerWaalsContact C-N 3.33Å; A105-H107 PolarHBondContact O-N 3.5Å; A105-M108 PolarHBondContact O-N 2.89Å; A105-K109 PolarHBondContact O-N 3.24Å |
| 106 | V | 98.3 | Very high | 97.5 | Very high | 56 Ų | 56 | 91.3 Ų | 91.3 | 34% | 0.339 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -55.9 | -49 | 172 | 170.8 | 0 | 0 | 0 | 0 | 110.3 | R102 M108 K109 D110 | R102-V106 WeakPolarHBondContact O-CG2 3.22Å; R102-V106 PolarHBondContact O-N 2.96Å; V106-M108 VanDerWaalsContact C-N 3.32Å; V106-M108 PolarHBondContact O-N 2.93Å; V106-K109 WeakPolarHBondContact O-CB 3.39Å; V106-K109 PolarHBondContact O-N 3.25Å; V106-K109 VanDerWaalsContact O-N 3.08Å; V106-D110 WeakPolarHBondContact CG1-OD2 3.2Å; V106-D110 WeakPolarHBondContact O-CB 3.37Å; V106-D110 PolarHBondContact O-N 3.42Å |
| 107 | H | 98.4 | Very high | 97.3 | Very high | 19 Ų | 19 | 95.9 Ų | 95.9 | 9% | 0.088 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.1 | -36.2 | 178.8 | -169.3 | 82.6 | 0 | 0 | 0 | 114.1 | V47 K48 P50 L103 R104 A105 Y111 Y114 | V47-H107 WeakPolarHBondContact CG1-CE1 3.16Å; K48-H107 PolarHBondContact O-CE1 2.89Å; P50-H107 HydrophobicContact CB-CB 3.98Å; P50-H107 HydrophobicContact CG-CB 4.12Å; L103-H107 WeakPolarHBondContact O-CB 3.42Å; L103-H107 PolarHBondContact O-N 2.9Å; R104-H107 PolarHBondContact O-N 2.91Å; A105-H107 VanDerWaalsContact C-N 3.33Å; A105-H107 PolarHBondContact O-N 3.5Å; H107-Y111 AromaticContact CE1-CD2 3.55Å; H107-Y111 AromaticContact CE1-CE2 3.96Å; H107-Y111 AromaticContact ND1-CD2 3.5Å; H107-Y111 AromaticContact ND1-CE2 3.79Å; H107-Y111 WeakPolarHBondContact O-CB 3.38Å; H107-Y111 PolarHBondContact O-N 3.17Å; H107-Y114 AromaticContact CD2-CD1 3.91Å; H107-Y114 AromaticContact NE2-CD1 3.46Å; H107-Y114 WeakPolarHBondContact NE2-CD1 3.48Å; H107-Y114 AromaticContact NE2-CD2 3.62Å; H107-Y114 AromaticContact NE2-CE1 3.64Å; H107-Y114 AromaticContact NE2-CE2 3.79Å; H107-Y114 AromaticContact NE2-CG 3.43Å; H107-Y114 AromaticContact NE2-CZ 3.78Å |
| 108 | M | 97.8 | Very high | 97 | Very high | 88 Ų | 88 | 97 Ų | 97 | 43% | 0.433 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -72.7 | -29.2 | 176.3 | -65.6 | -113.2 | 57.6 | 0 | 0 | 112.4 | R104 A105 V106 P112 | R104-M108 HydrophobicContact CG-CG 4.43Å; R104-M108 WeakPolarHBondContact O-CG 3.2Å; R104-M108 PolarHBondContact O-N 3.38Å; A105-M108 PolarHBondContact O-N 2.89Å; V106-M108 VanDerWaalsContact C-N 3.32Å; V106-M108 PolarHBondContact O-N 2.93Å; M108-P112 WeakPolarHBondContact O-CA 3.49Å |
| 109 | K | 97.9 | Very high | 96.6 | Very high | 172 Ų | 172 | 104.3 Ų | 104.3 | 75% | 0.748 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -73.7 | -47.8 | 173.7 | 179.1 | -171.3 | 172.1 | -172 | 0 | 111.6 | A105 V106 Y111 | A105-K109 PolarHBondContact O-N 3.24Å; V106-K109 WeakPolarHBondContact O-CB 3.39Å; V106-K109 PolarHBondContact O-N 3.25Å; V106-K109 VanDerWaalsContact O-N 3.08Å; K109-Y111 VanDerWaalsContact C-N 3.33Å |
| 110 | D | 97 | Very high | 96.2 | Very high | 89 Ų | 89 | 112.8 Ų | 112.8 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -74.7 | -26.7 | -175.2 | -59.1 | -13.3 | 0 | 0 | 0 | 111.9 | V106 | V106-D110 WeakPolarHBondContact CG1-OD2 3.2Å; V106-D110 WeakPolarHBondContact O-CB 3.37Å; V106-D110 PolarHBondContact O-N 3.42Å |
| 111 | Y | 96.5 | Very high | 95.7 | Very high | 105 Ų | 105 | 120.9 Ų | 120.9 | 41% | 0.412 | 55% | 0.55 | S | S | . | . | trans | -132.1 | 73.7 | 179.4 | -50.9 | -76 | 0 | 0 | 0 | 111 | V47 H107 K109 D113 Y114 | V47-Y111 HydrophobicContact CB-CD1 4.5Å; V47-Y111 HydrophobicContact CG1-CD1 3.93Å; V47-Y111 HydrophobicContact CG1-CD2 3.78Å; V47-Y111 HydrophobicContact CG1-CE1 4.12Å; V47-Y111 HydrophobicContact CG1-CE2 3.97Å; V47-Y111 HydrophobicContact CG1-CG 3.74Å; V47-Y111 HydrophobicContact CG2-CD1 3.69Å; V47-Y111 HydrophobicContact CG2-CE1 3.69Å; V47-Y111 HydrophobicContact CG2-CG 4.34Å; H107-Y111 AromaticContact CE1-CD2 3.55Å; H107-Y111 AromaticContact CE1-CE2 3.96Å; H107-Y111 AromaticContact ND1-CD2 3.5Å; H107-Y111 AromaticContact ND1-CE2 3.79Å; H107-Y111 WeakPolarHBondContact O-CB 3.38Å; H107-Y111 PolarHBondContact O-N 3.17Å; K109-Y111 VanDerWaalsContact C-N 3.33Å; Y111-D113 VanDerWaalsContact C-N 3.3Å; Y111-D113 PolarHBondContact O-N 3.2Å; Y111-Y114 WeakPolarHBondContact O-CB 3.45Å; Y111-Y114 PolarHBondContact O-N 2.86Å | ||
| 112 | P | 95.8 | Very high | 94.9 | Very high | 95 Ų | 95 | 120.5 Ų | 120.5 | 62% | 0.617 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -36.7 | -176.9 | 23.8 | -33.7 | 0 | 0 | 0 | 112.9 | M108 Y114 | M108-P112 WeakPolarHBondContact O-CA 3.49Å; P112-Y114 PolarHBondContact O-N 3.3Å |
| 113 | D | 94.8 | Very high | 94.1 | Very high | 157 Ų | 157 | 124 Ų | 124 | 84% | 0.84 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 7.6 | 177 | -62.6 | -57.4 | 0 | 0 | 0 | 114.1 | Y111 K115 | Y111-D113 VanDerWaalsContact C-N 3.3Å; Y111-D113 PolarHBondContact O-N 3.2Å; D113-K115 PolarHBondContact O-N 3.08Å |
| 114 | Y | 96.5 | Very high | 92.9 | Very high | 57 Ų | 57 | 127.7 Ų | 127.7 | 22% | 0.224 | 61% | 0.607 | C | S | . | * | trans | -65.5 | 110.7 | -176.9 | -176.6 | -100.6 | 0 | 0 | 0 | 112.5 | V47 R49 H107 Y111 P112 | V47-Y114 HydrophobicContact CB-CD2 3.95Å; V47-Y114 HydrophobicContact CB-CE2 3.99Å; V47-Y114 HydrophobicContact CG1-CD2 3.48Å; V47-Y114 VanDerWaalsContact CG1-CD2 3.48Å; V47-Y114 HydrophobicContact CG1-CE2 3.65Å; V47-Y114 HydrophobicContact CG1-CG 4.47Å; V47-Y114 WeakPolarHBondContact O-CE2 3.13Å; R49-Y114 WeakPolarHBondContact CG-OH 3.25Å; H107-Y114 AromaticContact CD2-CD1 3.91Å; H107-Y114 AromaticContact NE2-CD1 3.46Å; H107-Y114 WeakPolarHBondContact NE2-CD1 3.48Å; H107-Y114 AromaticContact NE2-CD2 3.62Å; H107-Y114 AromaticContact NE2-CE1 3.64Å; H107-Y114 AromaticContact NE2-CE2 3.79Å; H107-Y114 AromaticContact NE2-CG 3.43Å; H107-Y114 AromaticContact NE2-CZ 3.78Å; Y111-Y114 WeakPolarHBondContact O-CB 3.45Å; Y111-Y114 PolarHBondContact O-N 2.86Å; P112-Y114 PolarHBondContact O-N 3.3Å | ||
| 115 | K | 94.9 | Very high | 91.5 | Very high | 162 Ų | 162 | 127.9 Ų | 127.9 | 70% | 0.704 | 62% | 0.62 | S | S | * | * | trans | -119.7 | 119.5 | 175.6 | -167.6 | 163.1 | -174.3 | 167.5 | 0 | 111.9 | D113 K117 | D113-K115 PolarHBondContact O-N 3.08Å; K115-K117 PolarHBondContact O-N 2.97Å; K115-K117 VanDerWaalsContact O-N 3.11Å | ||
| 116 | Y | 95.7 | Very high | 90.1 | Very high | 133 Ų | 133 | 132.9 Ų | 132.9 | 52% | 0.522 | 64% | 0.637 | S | S | . | * | trans | -66.6 | 111.1 | 173.9 | -179.6 | -126 | 0 | 0 | 0 | 110.8 | R49 P118 | R49-Y116 HydrophobicContact CG-CD2 4.41Å; Y116-P118 HydrophobicContact CD1-CG 4.12Å; Y116-P118 HydrophobicContact CE1-CG 3.63Å | ||
| 117 | K | 93.1 | Very high | 87.9 | Confident | 158 Ų | 158 | 138.8 Ų | 138.8 | 69% | 0.687 | 66% | 0.658 | S | S | * | * | trans | -113.9 | 97 | 176.3 | -66.2 | 174.7 | -176.8 | 174.7 | 0 | 109.3 | K115 R119 | K115-K117 PolarHBondContact O-N 2.97Å; K115-K117 VanDerWaalsContact O-N 3.11Å; K117-R119 PolarHBondContact O-N 3.4Å | ||
| 118 | P | 92.8 | Very high | 85.6 | Confident | 86 Ų | 86 | 147.4 Ų | 147.4 | 56% | 0.558 | 70% | 0.696 | S | S | * | * | trans | -61.5 | 129.9 | 174.4 | -18.2 | 28.6 | 0 | 0 | 0 | 111 | Y116 R120 | Y116-P118 HydrophobicContact CD1-CG 4.12Å; Y116-P118 HydrophobicContact CE1-CG 3.63Å; P118-R120 PolarHBondContact O-N 3.02Å | ||
| 119 | R | 91.3 | Very high | 83.3 | Confident | 225 Ų | 225 | 149 Ų | 149 | 85% | 0.849 | 71% | 0.706 | S | S | * | * | trans | -85 | 108.2 | 174.4 | -172 | 169.6 | -175.5 | -123.2 | -1.5 | 109.8 | K117 K121 | K117-R119 PolarHBondContact O-N 3.4Å; R119-K121 PolarHBondContact O-N 2.98Å | ||
| 120 | R | 89.9 | Confident | 81.1 | Confident | 240 Ų | 240 | 147.6 Ų | 147.6 | 91% | 0.906 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 127.8 | 167 | -62.1 | -180 | 76 | 178.9 | 3.4 | 108.3 | P118 | P118-R120 PolarHBondContact O-N 3.02Š|
| 121 | K | 86.8 | Confident | 79 | Confident | 182 Ų | 182 | 152.5 Ų | 152.5 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 133.5 | 164 | -65.1 | -176.7 | 178.9 | -176.3 | 0 | 107.3 | R119 K123 | R119-K121 PolarHBondContact O-N 2.98Å; K121-K123 PolarHBondContact O-N 3.13Å |
| 122 | S | 83 | Confident | 76.6 | Confident | 115 Ų | 115 | 155.1 Ų | 155.1 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 133.7 | 165.1 | 38.8 | 0 | 0 | 0 | 0 | 108.4 | ||
| 123 | K | 81.1 | Confident | 74.5 | Confident | 197 Ų | 197 | 153.7 Ų | 153.7 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 124 | 163.6 | -67.2 | -176.6 | 179 | -178.3 | 0 | 106 | K121 L125 | K121-K123 PolarHBondContact O-N 3.13Å; K123-L125 PolarHBondContact O-N 2.94Å; K123-L125 VanDerWaalsContact O-N 3.09Å |
| 124 | P | 72.9 | Confident | 72.3 | Confident | 117 Ų | 117 | 154.7 Ų | 154.7 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 117.1 | 169.6 | 25.6 | -31.2 | 0 | 0 | 0 | 107.4 | L126 | P124-L126 PolarHBondContact O-N 3.03Š|
| 125 | L | 70.1 | Confident | 69.6 | Low | 170 Ų | 170 | 162.4 Ų | 162.4 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 117.8 | 165.2 | -77.5 | 162.7 | 0 | 0 | 0 | 106.1 | K123 K127 | K123-L125 PolarHBondContact O-N 2.94Å; K123-L125 VanDerWaalsContact O-N 3.09Å; L125-K127 PolarHBondContact O-N 2.91Å |
| 126 | L | 67.5 | Low | 67.5 | Low | 167 Ų | 167 | 160.5 Ų | 160.5 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -57.1 | 111.7 | 171.9 | -70.5 | 169.1 | 0 | 0 | 0 | 106.8 | P124 K128 | P124-L126 PolarHBondContact O-N 3.03Å; L126-K128 PolarHBondContact O-N 3.26Å | ||
| 127 | K | 52.4 | Low | 65.1 | Low | 181 Ų | 181 | 162.2 Ų | 162.2 | 79% | 0.787 | 80% | 0.796 | S | S | * | * | trans | -63.9 | 105.4 | 174.4 | -163.8 | 177 | -175.5 | -175 | 0 | 105.4 | L125 D129 | L125-K127 PolarHBondContact O-N 2.91Å; K127-D129 VanDerWaalsContact C-N 3.27Å; K127-D129 PolarHBondContact O-N 3.45Å | ||
| 128 | K | 50.6 | Low | 62.5 | Low | 200 Ų | 200 | 160.5 Ų | 160.5 | 87% | 0.87 | 80% | 0.803 | S | S | * | * | trans | -68.1 | 94.2 | 175.7 | -177.8 | 170.1 | -179 | 173.3 | 0 | 106.4 | L126 N130 | L126-K128 PolarHBondContact O-N 3.26Å; K128-N130 PolarHBondContact O-N 3.23Å | ||
| 129 | D | 49.5 | Very low | 60 | Low | 122 Ų | 122 | 161 Ų | 161 | 65% | 0.652 | 82% | 0.815 | S | S | * | * | trans | -57.5 | 127.4 | 177.6 | -82.1 | -47.7 | 0 | 0 | 0 | 109.1 | K127 Q131 | K127-D129 VanDerWaalsContact C-N 3.27Å; K127-D129 PolarHBondContact O-N 3.45Å; D129-Q131 PolarHBondContact O-N 3.02Å | ||
| 130 | N | 51.7 | Low | 57.4 | Low | 142 Ų | 142 | 153.2 Ų | 153.2 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | trans | -77.9 | 69.6 | -174.4 | -171.3 | 30.3 | 0 | 0 | 0 | 109.9 | K128 M132 | K128-N130 PolarHBondContact O-N 3.23Å; N130-M132 PolarHBondContact O-N 2.96Å | ||
| 131 | Q | 52.4 | Low | 54.9 | Low | 191 Ų | 191 | 150 Ų | 150 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -81.4 | 61.6 | 167.6 | -67.9 | -163 | 89.1 | 0 | 0 | 110.3 | D129 | D129-Q131 PolarHBondContact O-N 3.02Š| ||
| 132 | M | 45.8 | Very low | 52.7 | Low | 161 Ų | 161 | 149.5 Ų | 149.5 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | -119.8 | 94.9 | 161.5 | -177.9 | 66 | 80.6 | 0 | 0 | 106.8 | N130 | N130-M132 PolarHBondContact O-N 2.96Š| ||
| 133 | G | 52.4 | Low | 50.6 | Low | 65 Ų | 65 | 152 Ų | 152 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | trans | -174.8 | 40.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 134 | K | 47.2 | Very low | 48.6 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 77% | 0.774 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -172.3 | 140.8 | 156.8 | -100.2 | 144.7 | -167.2 | -175.7 | 0 | 111.4 | ||
| 135 | Y | 39.7 | Very low | 47 | Very low | 218 Ų | 218 | 146.7 Ų | 146.7 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | 84.9 | 130.7 | 175.1 | -49.4 | -64.3 | 0 | 0 | 0 | 117.8 | ||||
| 136 | P | 51 | Low | 45.4 | Very low | 122 Ų | 122 | 143 Ų | 143 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -92.8 | 170.5 | -165.4 | 38.3 | -38.3 | 0 | 0 | 0 | 114.3 | ||||
| 137 | L | 46.7 | Very low | 43.8 | Very low | 169 Ų | 169 | 144.6 Ų | 144.6 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | trans | -61.3 | 135.9 | 172.2 | -62.6 | 105.1 | 0 | 0 | 0 | 111.9 | ||||
| 138 | S | 38.3 | Very low | 43 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -109.6 | 108.7 | 149.9 | -176.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 139 | A | 40.2 | Very low | 42.3 | Very low | 97 Ų | 97 | 140.1 Ų | 140.1 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | trans | -112.8 | 115.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 140 | G | 37 | Very low | 41.6 | Very low | 62 Ų | 62 | 137.7 Ų | 137.7 | 64% | 0.639 | 82% | 0.824 | S | S | * | * | trans | 147.5 | 92.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 141 | N | 37.3 | Very low | 40.8 | Very low | 171 Ų | 171 | 135 Ų | 135 | 91% | 0.914 | 83% | 0.831 | S | S | * | * | -161.7 | 142.4 | 105.2 | -103 | 6.6 | 0 | 0 | 0 | 111.5 | |||||
| 142 | L | 40.8 | Very low | 40.2 | Very low | 172 Ų | 172 | 131.5 Ų | 131.5 | 90% | 0.901 | 83% | 0.827 | S | S | * | * | trans | -92.3 | 167.3 | 179.6 | -71 | 162.9 | 0 | 0 | 0 | 111 | ||||
| 143 | L | 37.1 | Very low | 40.4 | Very low | 169 Ų | 169 | 130 Ų | 130 | 89% | 0.885 | 83% | 0.829 | S | S | * | * | trans | 78.8 | 92.9 | 152.4 | -163.3 | 69.8 | 0 | 0 | 0 | 118.5 | ||||
| 144 | A | 39.6 | Very low | 39.9 | Very low | 97 Ų | 97 | 136.2 Ų | 136.2 | 80% | 0.802 | 83% | 0.832 | S | S | * | * | trans | -152.3 | 112.6 | 145.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 145 | A | 39.3 | Very low | 39.7 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 87% | 0.868 | 84% | 0.84 | S | S | * | * | trans | 53.5 | 144.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 146 | A | 37.9 | Very low | 39.7 | Very low | 91 Ų | 91 | 131.5 Ų | 131.5 | 75% | 0.752 | 82% | 0.823 | S | S | * | * | trans | -94.6 | -179.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 147 | Q | 33.8 | Very low | 39.1 | Very low | 202 Ų | 202 | 130.9 Ų | 130.9 | 94% | 0.944 | 82% | 0.821 | S | S | * | * | trans | 95.1 | 124 | 167 | -55.7 | 177.2 | -27.2 | 0 | 0 | 116.9 | ||||
| 148 | G | 35.6 | Very low | 39 | Very low | 81 Ų | 81 | 133.2 Ų | 133.2 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | 142.8 | 107.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 149 | Q | 34.5 | Very low | 39 | Very low | 205 Ų | 205 | 130.7 Ų | 130.7 | 96% | 0.958 | 81% | 0.813 | S | S | * | * | trans | -76.1 | 149.4 | 168.4 | -61.4 | 174.3 | 4.2 | 0 | 0 | 110.4 | ||||
| 150 | G | 36.1 | Very low | 38.9 | Very low | 71 Ų | 71 | 138.9 Ų | 138.9 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | trans | 154.5 | 79.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | S152 | G150-S152 PolarHBondContact O-N 3.01Š| ||
| 151 | G | 34 | Very low | 39 | Very low | 87 Ų | 87 | 139.1 Ų | 139.1 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 119.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 152 | S | 40.1 | Very low | 39.7 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 130.8 | 170.7 | -67.9 | 0 | 0 | 0 | 0 | 110.7 | G150 R154 | G150-S152 PolarHBondContact O-N 3.01Å; S152-R154 PolarHBondContact O-N 3.03Å |
| 153 | P | 49.8 | Very low | 39.5 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 120.6 | 179.3 | 28.5 | -32.9 | 0 | 0 | 0 | 111.4 | ||
| 154 | R | 42.6 | Very low | 39.4 | Very low | 197 Ų | 197 | 130.2 Ų | 130.2 | 74% | 0.743 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -62 | 130.2 | 170.4 | 170.2 | -178 | 160.2 | 127.6 | -2.1 | 110.5 | S152 E156 | S152-R154 PolarHBondContact O-N 3.03Å; R154-E156 VanDerWaalsContact CD-OE2 3.29Å; R154-E156 WeakPolarHBondContact CD-OE2 3.46Å; R154-E156 WeakPolarHBondContact CG-OE2 3.44Å; R154-E156 IonicContact CZ-OE1 3.32Å; R154-E156 IonicContact CZ-OE2 4Å; R154-E156 VanDerWaalsContact NE-CD 3.32Å; R154-E156 IonicContact NE-OE1 2.89Å; R154-E156 PolarHBondContact NE-OE1 2.83Å; R154-E156 IonicContact NE-OE2 2.94Å; R154-E156 PolarHBondContact NE-OE2 3.27Å; R154-E156 IonicContact NH2-OE1 2.84Å; R154-E156 PolarHBondContact NH2-OE1 3.46Å; R154-E156 PolarHBondContact O-N 3.33Å; R154-E156 VanDerWaalsContact O-N 3.09Å |
| 155 | M | 42.4 | Very low | 39.1 | Very low | 189 Ų | 189 | 129.1 Ų | 129.1 | 93% | 0.931 | 82% | 0.82 | S | S | * | * | trans | -73.4 | 96.6 | 177.3 | -171.7 | -179.5 | -165.3 | 0 | 0 | 110.1 | S157 | M155-S157 PolarHBondContact O-N 3.05Š| ||
| 156 | E | 39.8 | Very low | 39.1 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 51% | 0.505 | 83% | 0.825 | S | S | . | * | trans | -76.3 | 124.6 | -174.3 | -140.3 | 63.7 | -123.8 | 0 | 0 | 112.2 | R154 Y158 | R154-E156 VanDerWaalsContact CD-OE2 3.29Å; R154-E156 WeakPolarHBondContact CD-OE2 3.46Å; R154-E156 WeakPolarHBondContact CG-OE2 3.44Å; R154-E156 IonicContact CZ-OE1 3.32Å; R154-E156 IonicContact CZ-OE2 4Å; R154-E156 VanDerWaalsContact NE-CD 3.32Å; R154-E156 IonicContact NE-OE1 2.89Å; R154-E156 PolarHBondContact NE-OE1 2.83Å; R154-E156 IonicContact NE-OE2 2.94Å; R154-E156 PolarHBondContact NE-OE2 3.27Å; R154-E156 IonicContact NH2-OE1 2.84Å; R154-E156 PolarHBondContact NH2-OE1 3.46Å; R154-E156 PolarHBondContact O-N 3.33Å; R154-E156 VanDerWaalsContact O-N 3.09Å; E156-Y158 PolarHBondContact O-N 3.11Å | ||
| 157 | S | 39.2 | Very low | 39.2 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | trans | -74.4 | 102 | -177.7 | 158.5 | 0 | 0 | 0 | 0 | 111.1 | M155 G159 | M155-S157 PolarHBondContact O-N 3.05Å; S157-G159 PolarHBondContact O-N 3.45Å | ||
| 158 | Y | 43.6 | Very low | 39.6 | Very low | 219 Ų | 219 | 130.1 Ų | 130.1 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | trans | -67.2 | 96.5 | 173.5 | -74.5 | -76.4 | 0 | 0 | 0 | 112.4 | E156 | E156-Y158 PolarHBondContact O-N 3.11Š| ||
| 159 | G | 37.4 | Very low | 40.1 | Very low | 68 Ų | 68 | 135.2 Ų | 135.2 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | trans | -72 | 143.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S157 | S157-G159 PolarHBondContact O-N 3.45Š| ||
| 160 | W | 39.4 | Very low | 40.3 | Very low | 269 Ų | 269 | 134.2 Ų | 134.2 | 100% | 1.019 | 82% | 0.82 | S | S | * | * | trans | -89.4 | 114.8 | 172.5 | -82.9 | 74.2 | 0 | 0 | 0 | 110.8 | ||||
| 161 | G | 39.2 | Very low | 40.4 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | trans | -152.9 | 152.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 162 | P | 50.8 | Low | 40.2 | Very low | 136 Ų | 136 | 140.5 Ų | 140.5 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -113.3 | 134.9 | -147 | 37 | -27.2 | 0 | 0 | 0 | 115.9 | ||||
| 163 | A | 37.9 | Very low | 40.2 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -149.2 | 154.2 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 164 | G | 35.4 | Very low | 39.8 | Very low | 85 Ų | 85 | 141.3 Ų | 141.3 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | trans | -53 | 135.3 | -162.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 165 | G | 32.1 | Very low | 39.3 | Very low | 74 Ų | 74 | 135.1 Ų | 135.1 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | trans | -104.2 | 116.1 | 168 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 166 | Y | 39.4 | Very low | 38.8 | Very low | 244 Ų | 244 | 137.4 Ų | 137.4 | 96% | 0.957 | 82% | 0.817 | S | S | * | * | trans | -130 | 98.9 | 154.7 | -112.8 | -86.1 | 0 | 0 | 0 | 107.3 | ||||
| 167 | A | 41.2 | Very low | 38.7 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | trans | -136.6 | 107.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | M169 | A167-M169 PolarHBondContact O-N 3.39Š| ||
| 168 | G | 42.1 | Very low | 38.5 | Very low | 81 Ų | 81 | 143.1 Ų | 143.1 | 84% | 0.835 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -70 | 117.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q170 | G168-Q170 PolarHBondContact O-N 3.24Š|
| 169 | M | 44.9 | Very low | 38.2 | Very low | 188 Ų | 188 | 140.1 Ų | 140.1 | 93% | 0.926 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 121.3 | 173.6 | -66 | -159.6 | 78 | 0 | 0 | 109.6 | A167 | A167-M169 PolarHBondContact O-N 3.39Š|
| 170 | Q | 38.8 | Very low | 38.2 | Very low | 185 Ų | 185 | 143.1 Ų | 143.1 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 129.9 | 175.1 | -169.4 | 168.3 | 25.3 | 0 | 0 | 109.9 | G168 | G168-Q170 PolarHBondContact O-N 3.24Š|
| 171 | S | 38.4 | Very low | 38.2 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 121.9 | 175.3 | 53.2 | 0 | 0 | 0 | 0 | 110.4 | A173 | S171-A173 PolarHBondContact O-N 3.49Š|
| 172 | E | 30.7 | Very low | 38.1 | Very low | 181 Ų | 181 | 146.2 Ų | 146.2 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 123.7 | 172.7 | -62.4 | -169.6 | -159.1 | 0 | 0 | 110.8 | ||
| 173 | A | 38.4 | Very low | 37.5 | Very low | 96 Ų | 96 | 149.7 Ų | 149.7 | 79% | 0.793 | 83% | 0.828 | S | S | * | * | trans | -130.2 | 96.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108 | S171 | S171-A173 PolarHBondContact O-N 3.49Š| ||
| 174 | L | 41.2 | Very low | 37.6 | Very low | 166 Ų | 166 | 150.2 Ų | 150.2 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -75.4 | 138.7 | 176.3 | -73.4 | 171 | 0 | 0 | 0 | 110.7 | ||||
| 175 | G | 32.2 | Very low | 38.2 | Very low | 66 Ų | 66 | 154.5 Ų | 154.5 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | trans | -54.5 | 147.9 | -164.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 176 | Y | 31.9 | Very low | 39 | Very low | 237 Ų | 237 | 155.9 Ų | 155.9 | 93% | 0.929 | 82% | 0.816 | S | S | * | * | trans | -128.4 | 139 | 139.5 | -106 | -88.7 | 0 | 0 | 0 | 108.6 | ||||
| 177 | T | 38.3 | Very low | 39.1 | Very low | 135 Ų | 135 | 148.3 Ų | 148.3 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | trans | -99.2 | 128.4 | 177.8 | 55.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 178 | Q | 34.7 | Very low | 39.2 | Very low | 202 Ų | 202 | 152.4 Ų | 152.4 | 94% | 0.944 | 81% | 0.812 | S | S | * | * | trans | -153.7 | 143.5 | 154.9 | -152.1 | 164.9 | 69.2 | 0 | 0 | 112.1 | ||||
| 179 | Q | 38 | Very low | 39.1 | Very low | 155 Ų | 155 | 156.2 Ų | 156.2 | 72% | 0.724 | 81% | 0.808 | S | S | * | * | trans | -90.7 | 148.2 | -174.7 | -77.9 | -93 | 13.1 | 0 | 0 | 111.9 | ||||
| 180 | L | 38 | Very low | 38.5 | Very low | 131 Ų | 131 | 157.4 Ų | 157.4 | 69% | 0.686 | 80% | 0.803 | S | S | * | * | trans | 59.7 | 146.9 | 152.5 | -59 | 162 | 0 | 0 | 0 | 116.5 | ||||
| 181 | H | 38 | Very low | 39 | Very low | 151 Ų | 151 | 154 Ų | 154 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | cis | -136.9 | 142.8 | 24.1 | -66.1 | -100.7 | 0 | 0 | 0 | 111.5 | ||||
| 182 | R | 37.7 | Very low | 38.8 | Very low | 251 Ų | 251 | 158.1 Ų | 158.1 | 95% | 0.947 | 80% | 0.804 | S | S | * | * | trans | -90.8 | 103.1 | 172.4 | -167.1 | -177.6 | -163.8 | 171.1 | 4.1 | 108.1 | ||||
| 183 | Y | 38.6 | Very low | 39.2 | Very low | 210 Ų | 210 | 153.8 Ų | 153.8 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -71.4 | 142.4 | 177.4 | -91.3 | -83.1 | 0 | 0 | 0 | 112 | ||||
| 184 | D | 39.7 | Very low | 39.2 | Very low | 114 Ų | 114 | 157.4 Ų | 157.4 | 61% | 0.61 | 80% | 0.802 | S | S | * | * | trans | -69.6 | 139.6 | -179.1 | -179.7 | 13.6 | 0 | 0 | 0 | 111.8 | S186 | D184-S186 WeakPolarHBondContact OD1-CB 3.12Å; D184-S186 PolarHBondContact OD1-N 3.09Å; D184-S186 PolarHBondContact OD1-OG 3.18Å | ||
| 185 | L | 48.9 | Very low | 39.3 | Very low | 176 Ų | 176 | 156.4 Ų | 156.4 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -130.6 | 21 | 176.7 | -97.2 | 165.6 | 0 | 0 | 0 | 111.5 | ||||
| 186 | S | 48.1 | Very low | 39.4 | Very low | 103 Ų | 103 | 157.6 Ų | 157.6 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | trans | -107.1 | 50.8 | -172.1 | 65.1 | 0 | 0 | 0 | 0 | 114.3 | D184 | D184-S186 WeakPolarHBondContact OD1-CB 3.12Å; D184-S186 PolarHBondContact OD1-N 3.09Å; D184-S186 PolarHBondContact OD1-OG 3.18Å | ||
| 187 | A | 40.5 | Very low | 39.5 | Very low | 84 Ų | 84 | 150.5 Ų | 150.5 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | trans | -142.9 | 45.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 188 | L | 43.6 | Very low | 39.7 | Very low | 180 Ų | 180 | 152 Ų | 152 | 94% | 0.942 | 80% | 0.795 | S | S | * | * | trans | -145 | 95.1 | 154.3 | -82.2 | -170.9 | 0 | 0 | 0 | 111.9 | ||||
| 189 | Q | 40.1 | Very low | 39.9 | Very low | 161 Ų | 161 | 148.1 Ų | 148.1 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -80.6 | 134.3 | 168.7 | 171.2 | 84 | 15.2 | 0 | 0 | 109.9 | ||||
| 190 | Y | 33.2 | Very low | 40.1 | Very low | 213 Ų | 213 | 149.8 Ų | 149.8 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 170.6 | 159.5 | 142.1 | -97.1 | -56.6 | 0 | 0 | 0 | 112.1 | ||||
| 191 | P | 48.9 | Very low | 40.3 | Very low | 113 Ų | 113 | 150.9 Ų | 150.9 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | -111.1 | 170.4 | -100.5 | 41.4 | -36.1 | 0 | 0 | 0 | 116.2 | |||||
| 192 | Q | 35 | Very low | 40.3 | Very low | 195 Ų | 195 | 151.3 Ų | 151.3 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | -91.4 | 132.3 | -173.1 | -176 | 177.1 | -25.6 | 0 | 0 | 112.2 | ||||
| 193 | A | 38.3 | Very low | 40.1 | Very low | 91 Ų | 91 | 142.9 Ų | 142.9 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -131.2 | 114.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 194 | M | 39 | Very low | 40.1 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | trans | 31.1 | 123.9 | 156.8 | -43.9 | -51.2 | 174.4 | 0 | 0 | 119.6 | ||||
| 195 | T | 42.5 | Very low | 40 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | -172.5 | 140.7 | 96.3 | -62.5 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 196 | A | 34.6 | Very low | 39.3 | Very low | 91 Ų | 91 | 136.5 Ų | 136.5 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -93.6 | 151 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 197 | A | 34.9 | Very low | 38.6 | Very low | 89 Ų | 89 | 141.5 Ų | 141.5 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | -179.6 | 150.1 | 125.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 198 | Q | 40.5 | Very low | 38.6 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | 80 | 73.2 | 156.6 | -44.2 | -136.8 | 14.5 | 0 | 0 | 118.7 | ||||
| 199 | T | 40.8 | Very low | 39.5 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | 14.1 | 125.3 | 106.1 | -50.1 | 0 | 0 | 0 | 0 | 117 | |||||
| 200 | Y | 41 | Very low | 39.4 | Very low | 189 Ų | 189 | 140 Ų | 140 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | -171.2 | 125.8 | 126.5 | -103.6 | -70.7 | 0 | 0 | 0 | 111.4 | |||||
| 201 | M | 42.3 | Very low | 39.4 | Very low | 155 Ų | 155 | 135 Ų | 135 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | 56.6 | 105.4 | 167.2 | -52.9 | -56 | 167.7 | 0 | 0 | 117.3 | ||||
| 202 | N | 38.6 | Very low | 38.5 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | 66 | 108 | 50 | -156.2 | -12.7 | 0 | 0 | 0 | 114.1 | |||||
| 203 | G | 32.7 | Very low | 38.4 | Very low | 74 Ų | 74 | 135.8 Ų | 135.8 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | -171.5 | 122.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 204 | A | 38.7 | Very low | 38.1 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | -92.2 | 163.5 | -153.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 205 | N | 38.5 | Very low | 37.7 | Very low | 150 Ų | 150 | 132 Ų | 132 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -55.4 | 170 | 162.9 | -68.3 | -16.4 | 0 | 0 | 0 | 111.6 | ||||
| 206 | T | 33.6 | Very low | 37.3 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | cis | -173 | 154.1 | 42.5 | -30.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 207 | Y | 33.9 | Very low | 37.3 | Very low | 209 Ų | 209 | 137 Ų | 137 | 82% | 0.82 | 77% | 0.767 | S | S | * | * | trans | 19.8 | 146.8 | 149.8 | -85.8 | -110.6 | 0 | 0 | 0 | 122 | ||||
| 208 | S | 40.1 | Very low | 37.4 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | cis | -162.4 | 167.3 | 45 | -100.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 209 | P | 63.1 | Low | 37.7 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | -106.3 | 154.4 | 179.2 | 39.5 | -32.7 | 0 | 0 | 0 | 115.9 | ||||
| 210 | M | 38.1 | Very low | 37.2 | Very low | 181 Ų | 181 | 138.4 Ų | 138.4 | 89% | 0.892 | 76% | 0.763 | S | S | * | * | trans | -175.9 | 150 | 167.6 | -125 | 36.4 | 167 | 0 | 0 | 108.8 | ||||
| 211 | S | 33.1 | Very low | 37.7 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | cis | -162.6 | 177.7 | -16.8 | 46.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 212 | Y | 29.8 | Very low | 37.6 | Very low | 204 Ų | 204 | 133.2 Ų | 133.2 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | -60.2 | 148.9 | -176.2 | -161.1 | -103.6 | 0 | 0 | 0 | 118.2 | ||||
| 213 | S | 31.7 | Very low | 37.5 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | -156.7 | 154.3 | 141.2 | -164.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 214 | S | 32.3 | Very low | 37.9 | Very low | 65 Ų | 65 | 135.2 Ų | 135.2 | 46% | 0.455 | 76% | 0.759 | S | S | . | * | trans | -137.9 | 146.5 | -166.1 | 172.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 215 | S | 31.2 | Very low | 38.2 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | -163.9 | 160.7 | 156.5 | 47.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 216 | H | 33.7 | Very low | 38.5 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -117.4 | 179.9 | -158.8 | -75.1 | -66 | 0 | 0 | 0 | 114.9 | ||||
| 217 | Q | 35.5 | Very low | 38.4 | Very low | 177 Ų | 177 | 142.6 Ų | 142.6 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | 83.9 | 148.7 | 153.2 | -75.1 | 158.2 | 44.1 | 0 | 0 | 119.1 | ||||
| 218 | Q | 36.7 | Very low | 39.3 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | cis | -167.4 | -176 | -27.6 | -107.6 | -46.2 | 14.7 | 0 | 0 | 106.9 | ||||
| 219 | P | 45.5 | Very low | 38.8 | Very low | 88 Ų | 88 | 140.8 Ų | 140.8 | 57% | 0.571 | 77% | 0.768 | S | S | * | * | trans | -128 | 172.5 | -145.2 | 43.7 | -27 | 0 | 0 | 0 | 118.4 | ||||
| 220 | N | 31.3 | Very low | 37.7 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 66.8 | 171.8 | 154.5 | -62.2 | -20.5 | 0 | 0 | 0 | 117.8 | ||||
| 221 | P | 50.4 | Low | 37.6 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | cis | -132.3 | -174 | 1.1 | 43.8 | -26.9 | 0 | 0 | 0 | 116.8 | ||||
| 222 | V | 41.7 | Very low | 37.6 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | trans | -46.4 | 160.4 | 176.2 | -56.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 223 | M | 36.4 | Very low | 38 | Very low | 174 Ų | 174 | 135.5 Ų | 135.5 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | -151.8 | 144 | 125.3 | -86.1 | -46.9 | 153.2 | 0 | 0 | 112.4 | |||||
| 224 | S | 40.4 | Very low | 38.4 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -97.3 | 136.6 | 173.2 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 225 | M | 44.9 | Very low | 39.4 | Very low | 187 Ų | 187 | 137.6 Ų | 137.6 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | trans | -144.5 | 108.9 | 156 | -71.3 | -159.6 | -157.5 | 0 | 0 | 111.8 | ||||
| 226 | V | 44.2 | Very low | 39.9 | Very low | 131 Ų | 131 | 138.8 Ų | 138.8 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | -75.6 | 136.3 | 158.9 | 158.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 227 | K | 32.8 | Very low | 39.9 | Very low | 203 Ų | 203 | 134.9 Ų | 134.9 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -151.1 | 137.9 | 144 | -149.1 | 157.1 | -175.8 | 173.5 | 0 | 112.1 | ||||
| 228 | P | 52.1 | Low | 40.1 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | trans | -99.9 | 170.9 | -177 | 40.1 | -35.8 | 0 | 0 | 0 | 112.6 | ||||
| 229 | E | 29.4 | Very low | 40.6 | Very low | 175 Ų | 175 | 128.1 Ų | 128.1 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 161.6 | 165.3 | 154.2 | -90 | -89.9 | 109 | 0 | 0 | 108.6 | ||||
| 230 | P | 41.5 | Very low | 40.2 | Very low | 99 Ų | 99 | 130.4 Ų | 130.4 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | -126.8 | 177.7 | -58.6 | 34.3 | -17.6 | 0 | 0 | 0 | 112.8 | |||||
| 231 | V | 34.4 | Very low | 40.7 | Very low | 127 Ų | 127 | 132 Ų | 132 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -67.7 | 154.2 | 165.5 | -77.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 232 | S | 34.5 | Very low | 40.3 | Very low | 81 Ų | 81 | 134.9 Ų | 134.9 | 57% | 0.566 | 78% | 0.782 | S | S | * | * | 151.5 | 110.8 | 118.2 | -79.2 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 233 | H | 37.3 | Very low | 40.2 | Very low | 178 Ų | 178 | 141 Ų | 141 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | 72.5 | 137.7 | 135.7 | -44.9 | -38.9 | 0 | 0 | 0 | 122.8 | ||||
| 234 | S | 41.1 | Very low | 40 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -122.9 | 155 | 158.5 | -46.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 235 | P | 51.5 | Low | 40.5 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | trans | -130.8 | 130.3 | 139.5 | 14.9 | 6 | 0 | 0 | 0 | 111.2 | ||||
| 236 | T | 42.5 | Very low | 40.7 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | 83.7 | 121.5 | 78.3 | -54.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 237 | G | 34.6 | Very low | 40.9 | Very low | 80 Ų | 80 | 138.2 Ų | 138.2 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | 152.8 | 100.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 238 | G | 38.1 | Very low | 41.9 | Very low | 73 Ų | 73 | 131.8 Ų | 131.8 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -137 | 129.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 239 | P | 48.4 | Very low | 42.8 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -82 | 157.9 | -174.5 | 32 | -34.4 | 0 | 0 | 0 | 113.7 | ||||
| 240 | N | 35.8 | Very low | 44.9 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | -84.7 | 131 | -169.2 | -163.9 | 6.1 | 0 | 0 | 0 | 111.6 | H242 | N240-H242 PolarHBondContact O-CE1 2.96Š| ||
| 241 | H | 42.5 | Very low | 46 | Very low | 185 Ų | 185 | 131.3 Ų | 131.3 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | trans | -86.5 | 115.6 | 178.1 | -79.8 | -66.3 | 0 | 0 | 0 | 111.9 | ||||
| 242 | H | 42.7 | Very low | 47.6 | Very low | 178 Ų | 178 | 130.7 Ų | 130.7 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | trans | -76.9 | 129.9 | 172 | -36.9 | -49.3 | 0 | 0 | 0 | 109.9 | N240 | N240-H242 PolarHBondContact O-CE1 2.96Š| ||
| 243 | R | 38.3 | Very low | 49.8 | Very low | 247 Ų | 247 | 132.2 Ų | 132.2 | 93% | 0.932 | 75% | 0.747 | S | S | * | * | trans | -128.3 | 131.2 | 171.9 | -170.1 | 173.3 | -177.7 | 164.8 | 0.9 | 109.9 | ||||
| 244 | G | 34 | Very low | 51.3 | Low | 60 Ų | 60 | 128 Ų | 128 | 62% | 0.619 | 73% | 0.729 | S | S | * | * | trans | -71.7 | -174.5 | -175 | 0 | 0 | 0 | 0 | 0 | 115.8 | L246 | G244-L246 PolarHBondContact O-N 2.95Š| ||
| 245 | P | 49.8 | Very low | 52.8 | Low | 126 Ų | 126 | 126.3 Ų | 126.3 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | trans | -86.9 | 114.8 | -145.2 | 31.9 | -36 | 0 | 0 | 0 | 113.9 | ||||
| 246 | L | 48.2 | Very low | 54 | Low | 181 Ų | 181 | 128.4 Ų | 128.4 | 95% | 0.948 | 72% | 0.72 | S | S | * | * | trans | -140.8 | 81.5 | 154.9 | -75.4 | 179.5 | 0 | 0 | 0 | 107.4 | G244 | G244-L246 PolarHBondContact O-N 2.95Š| ||
| 247 | Q | 49.3 | Very low | 55.4 | Low | 168 Ų | 168 | 130.4 Ų | 130.4 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | trans | -126 | 80.6 | -177.9 | -166.1 | 169.4 | 3.1 | 0 | 0 | 109.1 | D249 | Q247-D249 PolarHBondContact O-N 2.84Š| ||
| 248 | G | 54 | Low | 57.3 | Low | 67 Ų | 67 | 132.3 Ų | 132.3 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | trans | -69.8 | 106.8 | 145.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | L250 | G248-L250 PolarHBondContact O-N 2.88Š| ||
| 249 | D | 70.3 | Confident | 57.9 | Low | 70 Ų | 70 | 135 Ų | 135 | 37% | 0.374 | 71% | 0.706 | S | S | . | * | trans | -60.9 | 135.9 | 177.8 | -170.4 | 0.9 | 0 | 0 | 0 | 108.6 | Q247 R251 D252 M253 | Q247-D249 PolarHBondContact O-N 2.84Å; D249-R251 HydrophobicContact CB-CB 4.44Å; D249-R251 PolarHBondContact O-N 3.48Å; D249-R251 VanDerWaalsContact O-N 3.08Å; D249-R251 PolarHBondContact OD1-N 2.92Å; D249-R251 WeakPolarHBondContact OD2-CB 3.45Å; D249-D252 PolarHBondContact O-N 3.21Å; D249-M253 PolarHBondContact O-N 3.43Å; D249-M253 VanDerWaalsContact O-N 3.15Å | ||
| 250 | L | 73.5 | Confident | 57.8 | Low | 108 Ų | 108 | 132.7 Ų | 132.7 | 57% | 0.565 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -57.7 | -25.8 | 176.3 | -177.4 | 61.3 | 0 | 0 | 0 | 110.6 | G248 M253 I254 | G248-L250 PolarHBondContact O-N 2.88Å; L250-M253 HydrophobicContact CD1-CE 4.39Å; L250-M253 HydrophobicContact CD1-SD 4.25Å; L250-M253 PolarHBondContact O-N 3.09Å; L250-I254 HydrophobicContact CD1-CD1 4.31Å; L250-I254 HydrophobicContact CD1-CG1 4.44Å; L250-I254 HydrophobicContact CG-CD1 3.92Å; L250-I254 HydrophobicContact CG-CG1 4.49Å; L250-I254 WeakPolarHBondContact O-CD1 3.29Å; L250-I254 VanDerWaalsContact O-CG1 3.25Å; L250-I254 WeakPolarHBondContact O-CG1 3.22Å; L250-I254 PolarHBondContact O-N 3.24Å |
| 251 | R | 65.5 | Low | 57.8 | Low | 192 Ų | 192 | 129.7 Ų | 129.7 | 73% | 0.725 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -64.6 | -42.3 | 175.6 | -150.6 | 164.1 | -174.4 | -100.9 | -2.8 | 113.1 | D249 S255 | D249-R251 HydrophobicContact CB-CB 4.44Å; D249-R251 PolarHBondContact O-N 3.48Å; D249-R251 VanDerWaalsContact O-N 3.08Å; D249-R251 PolarHBondContact OD1-N 2.92Å; D249-R251 WeakPolarHBondContact OD2-CB 3.45Å; R251-S255 WeakPolarHBondContact O-CB 3.48Å; R251-S255 PolarHBondContact O-N 3.33Å; R251-S255 VanDerWaalsContact O-N 3.16Å; R251-S255 PolarHBondContact O-OG 3.33Å |
| 252 | D | 68.6 | Low | 57.6 | Low | 114 Ų | 114 | 127.9 Ų | 127.9 | 61% | 0.61 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -70.6 | -39.8 | 174.1 | -73.6 | -11.7 | 0 | 0 | 0 | 110.8 | D249 I254 S255 M256 | D249-D252 PolarHBondContact O-N 3.21Å; D252-I254 VanDerWaalsContact C-N 3.29Å; D252-I254 PolarHBondContact O-N 3.05Å; D252-S255 PolarHBondContact O-N 2.94Å; D252-S255 VanDerWaalsContact O-N 3.15Å; D252-M256 PolarHBondContact O-N 2.84Å |
| 253 | M | 80.8 | Confident | 57.9 | Low | 112 Ų | 112 | 125.2 Ų | 125.2 | 55% | 0.552 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -61.2 | -36.9 | 178.5 | -162.1 | -171.8 | -49.6 | 0 | 0 | 112.5 | D249 L250 Y257 | D249-M253 PolarHBondContact O-N 3.43Å; D249-M253 VanDerWaalsContact O-N 3.15Å; L250-M253 HydrophobicContact CD1-CE 4.39Å; L250-M253 HydrophobicContact CD1-SD 4.25Å; L250-M253 PolarHBondContact O-N 3.09Å; M253-Y257 WeakPolarHBondContact O-CD2 3.38Å |
| 254 | I | 68.1 | Low | 58 | Low | 89 Ų | 89 | 120.1 Ų | 120.1 | 46% | 0.456 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -74.7 | -36.3 | 175.5 | -69.6 | 165.8 | 0 | 0 | 0 | 111.2 | L250 D252 M256 Y257 I258 | L250-I254 HydrophobicContact CD1-CD1 4.31Å; L250-I254 HydrophobicContact CD1-CG1 4.44Å; L250-I254 HydrophobicContact CG-CD1 3.92Å; L250-I254 HydrophobicContact CG-CG1 4.49Å; L250-I254 WeakPolarHBondContact O-CD1 3.29Å; L250-I254 VanDerWaalsContact O-CG1 3.25Å; L250-I254 WeakPolarHBondContact O-CG1 3.22Å; L250-I254 PolarHBondContact O-N 3.24Å; D252-I254 VanDerWaalsContact C-N 3.29Å; D252-I254 PolarHBondContact O-N 3.05Å; I254-M256 VanDerWaalsContact C-N 3.27Å; I254-M256 PolarHBondContact O-N 3.31Å; I254-Y257 PolarHBondContact O-N 2.89Å; I254-Y257 VanDerWaalsContact O-N 3.08Å; I254-I258 HydrophobicContact CG2-CD1 4.03Å |
| 255 | S | 71.7 | Confident | 58.1 | Low | 80 Ų | 80 | 124.5 Ų | 124.5 | 56% | 0.559 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -65.1 | -26.3 | -175 | -60.3 | 0 | 0 | 0 | 0 | 113.7 | R251 D252 Y257 | R251-S255 WeakPolarHBondContact O-CB 3.48Å; R251-S255 PolarHBondContact O-N 3.33Å; R251-S255 VanDerWaalsContact O-N 3.16Å; R251-S255 PolarHBondContact O-OG 3.33Å; D252-S255 PolarHBondContact O-N 2.94Å; D252-S255 VanDerWaalsContact O-N 3.15Å; S255-Y257 VanDerWaalsContact C-N 3.29Å; S255-Y257 PolarHBondContact O-N 3.36Å |
| 256 | M | 77.9 | Confident | 58 | Low | 159 Ų | 159 | 124.4 Ų | 124.4 | 78% | 0.783 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -19.3 | 173.4 | -75 | -139.5 | -52.8 | 0 | 0 | 114.9 | D252 I254 | D252-M256 PolarHBondContact O-N 2.84Å; I254-M256 VanDerWaalsContact C-N 3.27Å; I254-M256 PolarHBondContact O-N 3.31Å |
| 257 | Y | 71.8 | Confident | 57.7 | Low | 186 Ų | 186 | 121.7 Ų | 121.7 | 73% | 0.729 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 7.7 | -172 | -70.1 | -84.2 | 0 | 0 | 0 | 114.2 | M253 I254 S255 | M253-Y257 WeakPolarHBondContact O-CD2 3.38Å; I254-Y257 PolarHBondContact O-N 2.89Å; I254-Y257 VanDerWaalsContact O-N 3.08Å; S255-Y257 VanDerWaalsContact C-N 3.29Å; S255-Y257 PolarHBondContact O-N 3.36Å |
| 258 | I | 73.4 | Confident | 57 | Low | 119 Ų | 119 | 119.4 Ų | 119.4 | 61% | 0.61 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -115.6 | 102.5 | 176.6 | -56.7 | -177.9 | 0 | 0 | 0 | 109 | I254 G260 | I254-I258 HydrophobicContact CG2-CD1 4.03Å; I258-G260 PolarHBondContact O-N 2.6Å |
| 259 | P | 50.4 | Low | 56.6 | Low | 129 Ų | 129 | 125.4 Ų | 125.4 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | trans | -78.3 | 117.8 | -179.7 | -11.8 | 28.3 | 0 | 0 | 0 | 112 | ||||
| 260 | G | 46.3 | Very low | 55 | Low | 79 Ų | 79 | 134 Ų | 134 | 81% | 0.814 | 74% | 0.736 | S | S | * | * | trans | 84.2 | 114.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | I258 | I258-G260 PolarHBondContact O-N 2.6Š| ||
| 261 | G | 36.9 | Very low | 53 | Low | 75 Ų | 75 | 132.6 Ų | 132.6 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | 177.7 | 46.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 262 | D | 39.3 | Very low | 51.4 | Low | 146 Ų | 146 | 126.1 Ų | 126.1 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | trans | 27.4 | 109.5 | 161.4 | -57.2 | -25 | 0 | 0 | 0 | 121.3 | ||||
| 263 | T | 47.9 | Very low | 49.9 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | 45.2 | 114.2 | 133.4 | 63.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 264 | T | 40.2 | Very low | 47.7 | Very low | 141 Ų | 141 | 131.1 Ų | 131.1 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | trans | -140.7 | 96.9 | 142.1 | 58.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 265 | D | 36.9 | Very low | 46.3 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -80 | 130.9 | 167.6 | -77.9 | -57.1 | 0 | 0 | 0 | 111.2 | V267 | D265-V267 PolarHBondContact O-N 2.82Š| ||
| 266 | P | 47.6 | Very low | 44.6 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | trans | -97.3 | 58 | -179.4 | 38 | -35.3 | 0 | 0 | 0 | 113 | ||||
| 267 | V | 41.1 | Very low | 42.8 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | trans | -136.5 | 96.4 | 173 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | D265 | D265-V267 PolarHBondContact O-N 2.82Š| ||
| 268 | S | 35.5 | Very low | 41.2 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | 178.5 | 108.8 | 134.9 | -83.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 269 | Q | 45 | Very low | 39.5 | Very low | 194 Ų | 194 | 139.6 Ų | 139.6 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | trans | -85.4 | 127.3 | 151.8 | -66.4 | -177.7 | 19.1 | 0 | 0 | 108.5 | ||||
| 270 | R | 36.8 | Very low | 39.1 | Very low | 249 Ų | 249 | 141 Ų | 141 | 94% | 0.94 | 79% | 0.794 | S | S | * | * | trans | 171.5 | 140.6 | 136.6 | -100.6 | 172.5 | -179.5 | -103 | -0 | 112.9 | ||||
| 271 | G | 31.1 | Very low | 38.7 | Very low | 80 Ų | 80 | 143.1 Ų | 143.1 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | 81.9 | 133.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 272 | G | 33 | Very low | 39 | Very low | 56 Ų | 56 | 142.6 Ų | 142.6 | 58% | 0.577 | 79% | 0.79 | S | S | * | * | cis | 120.7 | 126.9 | -0.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 273 | Y | 35.5 | Very low | 39.4 | Very low | 230 Ų | 230 | 142 Ų | 142 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | 67.1 | 154.8 | 171.6 | -31.3 | -73.7 | 0 | 0 | 0 | 115.3 | ||||
| 274 | S | 35 | Very low | 39.9 | Very low | 100 Ų | 100 | 143 Ų | 143 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | cis | -172.3 | 178.5 | -30.4 | 56.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 275 | V | 38.4 | Very low | 41 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 71% | 0.709 | 79% | 0.792 | S | S | * | * | trans | 84.3 | 119.2 | 151.4 | 169.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 276 | Q | 36.8 | Very low | 41.2 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 77% | 0.771 | 79% | 0.791 | S | S | * | * | trans | 56.4 | 117.4 | 146.8 | -71 | 176.5 | -49.7 | 0 | 0 | 120.9 | ||||
| 277 | Q | 39.9 | Very low | 41.5 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | 79.5 | 99.4 | 65.1 | -72.7 | -84.7 | 42.3 | 0 | 0 | 114 | |||||
| 278 | H | 37.3 | Very low | 41.7 | Very low | 194 Ų | 194 | 143.2 Ų | 143.2 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | trans | -135.1 | 104.1 | 150.7 | -87.6 | -88.5 | 0 | 0 | 0 | 109.1 | ||||
| 279 | Y | 39.3 | Very low | 42.5 | Very low | 196 Ų | 196 | 148.9 Ų | 148.9 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -82 | 143.5 | 152.9 | -90.5 | -101.8 | 0 | 0 | 0 | 108.2 | ||||
| 280 | L | 42.3 | Very low | 42.3 | Very low | 160 Ų | 160 | 146.7 Ų | 146.7 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | 179 | 143.7 | 126.9 | -116.8 | 69.8 | 0 | 0 | 0 | 110.6 | |||||
| 281 | S | 37.6 | Very low | 42.6 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | 44.2 | 126.9 | 158.2 | -60.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 282 | G | 41.7 | Very low | 43.3 | Very low | 64 Ų | 64 | 144.7 Ų | 144.7 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | cis | 174.1 | 172.9 | -0.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 283 | T | 48.6 | Very low | 43.9 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 83% | 0.828 | 80% | 0.804 | S | S | * | * | trans | 53.2 | 90.5 | 156.4 | 61.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 284 | V | 58 | Low | 44.4 | Very low | 141 Ų | 141 | 144.9 Ų | 144.9 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | 14.8 | 159.5 | 128 | -82.3 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 285 | P | 63.8 | Low | 45 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -110.8 | -164.5 | -146.4 | 45 | -37.9 | 0 | 0 | 0 | 114.9 | ||||
| 286 | L | 41.3 | Very low | 45.5 | Very low | 150 Ų | 150 | 150.1 Ų | 150.1 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | 132.5 | 153.7 | 134.9 | -156.3 | 72.1 | 0 | 0 | 0 | 115.3 | ||||
| 287 | T | 53.8 | Low | 46.2 | Very low | 112 Ų | 112 | 148.9 Ų | 148.9 | 69% | 0.687 | 81% | 0.814 | S | S | * | * | trans | 83.8 | 134.4 | 161 | 63.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 288 | H | 45.6 | Very low | 46.7 | Very low | 168 Ų | 168 | 149.8 Ų | 149.8 | 78% | 0.778 | 83% | 0.827 | S | S | * | * | trans | -4.3 | 149.8 | 149.5 | -52 | -68.1 | 0 | 0 | 0 | 118.2 | ||||
| 289 | I | 50.8 | Low | 47.5 | Very low | 239 Ų | 239 | 145.7 Ų | 145.7 | 100% | 1.226 | 82% | 0.821 | S | S | * | * | cis | -144.9 | 0 | 45.2 | -34.4 | 178.6 | 0 | 0 | 0 | 111.7 |
Retrieved 289 of 289 residues in 920 ms
(Link to these results)