| 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 | 33.1 | Very low | 41.4 | Very low | 228 Ų | 228 | 157.8 Ų | 157.8 | 100% | 1.123 | 83% | 0.825 | S | S | * | * | 0 | 109.9 | 0 | -88.5 | 143.7 | 65.9 | 0 | 0 | 109 | |||||
| 2 | D | 37.8 | Very low | 41.2 | Very low | 147 Ų | 147 | 162.1 Ų | 162.1 | 79% | 0.786 | 83% | 0.832 | S | S | * | * | trans | 57.7 | 105.9 | 140.8 | -54.1 | -65.3 | 0 | 0 | 0 | 121.2 | ||||
| 3 | S | 43 | Very low | 41.1 | Very low | 108 Ų | 108 | 162.1 Ų | 162.1 | 76% | 0.755 | 83% | 0.833 | S | S | * | * | trans | -61 | 148.4 | 153.9 | -41.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 4 | R | 44.3 | Very low | 40.8 | Very low | 225 Ų | 225 | 161.1 Ų | 161.1 | 85% | 0.849 | 82% | 0.823 | S | S | * | * | -174.4 | 122.3 | 129.1 | -104.1 | 178.5 | -73.9 | -170.9 | 0.5 | 112 | |||||
| 5 | K | 49.1 | Very low | 40.7 | Very low | 188 Ų | 188 | 156.6 Ų | 156.6 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | trans | 49.5 | 134 | 143 | -61.6 | -158.3 | 174.9 | -162.6 | 0 | 117.8 | ||||
| 6 | L | 41.9 | Very low | 40.5 | Very low | 164 Ų | 164 | 155.3 Ų | 155.3 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | -159.6 | 143 | 67.5 | -77.2 | 158.4 | 0 | 0 | 0 | 111.3 | |||||
| 7 | S | 45 | Very low | 39.8 | Very low | 99 Ų | 99 | 158.2 Ų | 158.2 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | trans | -84 | 158.6 | 166.6 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | Q9 | S7-Q9 PolarHBondContact OG-N 3.05Š| ||
| 8 | P | 45.9 | Very low | 40 | Very low | 131 Ų | 131 | 155.7 Ų | 155.7 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | -124.5 | 121.8 | 122.4 | 6.9 | 13 | 0 | 0 | 0 | 112.2 | |||||
| 9 | Q | 35.7 | Very low | 40.1 | Very low | 188 Ų | 188 | 155.7 Ų | 155.7 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -68.7 | 137.8 | 162 | 177.1 | -169.8 | 69 | 0 | 0 | 109.5 | S7 | S7-Q9 PolarHBondContact OG-N 3.05Š| ||
| 10 | G | 33.6 | Very low | 39.8 | Very low | 57 Ų | 57 | 155.9 Ų | 155.9 | 59% | 0.588 | 80% | 0.798 | S | S | * | * | trans | 145.8 | 86.7 | 146 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 11 | K | 46.3 | Very low | 40.1 | Very low | 201 Ų | 201 | 155.9 Ų | 155.9 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | 57.6 | 92 | 137.3 | 55.3 | 180 | 173.7 | -173.9 | 0 | 119 | ||||
| 12 | K | 38.9 | Very low | 40.2 | Very low | 209 Ų | 209 | 155.2 Ų | 155.2 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | -84.9 | 110.7 | 149.1 | -154.1 | 176.1 | -174.9 | -177.9 | 0 | 106.4 | E14 | K12-E14 VanDerWaalsContact C-N 3.34Å; K12-E14 PolarHBondContact O-N 2.7Å | ||
| 13 | L | 40.2 | Very low | 40.8 | Very low | 162 Ų | 162 | 159.8 Ų | 159.8 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -74.9 | 94.9 | 174.6 | -152.7 | 90.5 | 0 | 0 | 0 | 107.3 | S15 | L13-S15 PolarHBondContact O-N 3.37Š| ||
| 14 | E | 36.2 | Very low | 40.7 | Very low | 149 Ų | 149 | 160.4 Ų | 160.4 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | trans | -67.3 | 109.1 | 165.2 | -164.5 | 172.6 | 157.2 | 0 | 0 | 107.1 | K12 H16 | K12-E14 VanDerWaalsContact C-N 3.34Å; K12-E14 PolarHBondContact O-N 2.7Å; E14-H16 IonicContact OE1-CE1 3.01Å; E14-H16 PolarHBondContact OE1-CE1 2.67Å; E14-H16 IonicContact OE1-NE2 3.22Å; E14-H16 PolarHBondContact OE1-NE2 2.76Å | ||
| 15 | S | 39 | Very low | 40.8 | Very low | 93 Ų | 93 | 155.3 Ų | 155.3 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | trans | -117.9 | 103.8 | 165.5 | -177.5 | 0 | 0 | 0 | 0 | 106.5 | L13 F17 | L13-S15 PolarHBondContact O-N 3.37Å; S15-F17 PolarHBondContact O-N 3.06Å; S15-F17 VanDerWaalsContact O-N 3.1Å | ||
| 16 | H | 37.5 | Very low | 40.5 | Very low | 136 Ų | 136 | 154.8 Ų | 154.8 | 63% | 0.63 | 79% | 0.788 | S | S | * | * | trans | -58 | 106.6 | 177.7 | -63.9 | -92.6 | 0 | 0 | 0 | 110.2 | E14 S18 | E14-H16 IonicContact OE1-CE1 3.01Å; E14-H16 PolarHBondContact OE1-CE1 2.67Å; E14-H16 IonicContact OE1-NE2 3.22Å; E14-H16 PolarHBondContact OE1-NE2 2.76Å; H16-S18 VanDerWaalsContact C-N 3.33Å; H16-S18 PolarHBondContact O-N 2.78Å | ||
| 17 | F | 29.8 | Very low | 40.3 | Very low | 204 Ų | 204 | 150.7 Ų | 150.7 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | trans | -76.1 | 88.4 | 157.4 | -93.3 | -91 | 0 | 0 | 0 | 108.1 | S15 Q19 | S15-F17 PolarHBondContact O-N 3.06Å; S15-F17 VanDerWaalsContact O-N 3.1Å; F17-Q19 PolarHBondContact O-N 3.29Å | ||
| 18 | S | 41.8 | Very low | 40.7 | Very low | 113 Ų | 113 | 151.9 Ų | 151.9 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -90.1 | 92.2 | 165.7 | -72 | 0 | 0 | 0 | 0 | 108.9 | H16 E20 | H16-S18 VanDerWaalsContact C-N 3.33Å; H16-S18 PolarHBondContact O-N 2.78Å; S18-E20 PolarHBondContact O-N 2.78Å | ||
| 19 | Q | 42.1 | Very low | 40.8 | Very low | 157 Ų | 157 | 152.3 Ų | 152.3 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -76.1 | 97 | 171.1 | 175.6 | -179.6 | -4.7 | 0 | 0 | 109 | F17 H21 | F17-Q19 PolarHBondContact O-N 3.29Å; Q19-H21 VanDerWaalsContact CG-CE1 3.47Å; Q19-H21 WeakPolarHBondContact CG-CE1 3.5Å; Q19-H21 WeakPolarHBondContact CG-ND1 3.38Å; Q19-H21 PolarHBondContact NE2-CE1 3.33Å; Q19-H21 PolarHBondContact NE2-ND1 2.98Å | ||
| 20 | E | 35.3 | Very low | 40.9 | Very low | 159 Ų | 159 | 147.7 Ų | 147.7 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | -109.7 | 96.2 | 166.3 | -162.7 | 162.8 | 114.2 | 0 | 0 | 110 | S18 R22 | S18-E20 PolarHBondContact O-N 2.78Å; E20-R22 PolarHBondContact O-N 2.76Å | ||
| 21 | H | 45.2 | Very low | 41.9 | Very low | 156 Ų | 156 | 150.2 Ų | 150.2 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | -72.3 | 104.4 | 167.9 | -77.3 | 70.1 | 0 | 0 | 0 | 109.1 | Q19 | Q19-H21 VanDerWaalsContact CG-CE1 3.47Å; Q19-H21 WeakPolarHBondContact CG-CE1 3.5Å; Q19-H21 WeakPolarHBondContact CG-ND1 3.38Å; Q19-H21 PolarHBondContact NE2-CE1 3.33Å; Q19-H21 PolarHBondContact NE2-ND1 2.98Å | ||
| 22 | R | 36.5 | Very low | 41.5 | Very low | 213 Ų | 213 | 152.4 Ų | 152.4 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -124.1 | 117.1 | 158.2 | -83.3 | -156.9 | -162.9 | 177.7 | 7 | 111.2 | E20 | E20-R22 PolarHBondContact O-N 2.76Š| ||
| 23 | R | 48.6 | Very low | 41.6 | Very low | 244 Ų | 244 | 145.8 Ų | 145.8 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -59.2 | 152.5 | 166 | -65.7 | 171.3 | 174.8 | 137.2 | -2.5 | 111 | ||||
| 24 | P | 41.6 | Very low | 41.7 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -105.4 | 152.9 | 149.1 | 14.2 | 4.6 | 0 | 0 | 0 | 112.3 | ||||
| 25 | P | 46.7 | Very low | 42.1 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | trans | -102.6 | 155.8 | -171.5 | 31.8 | -17 | 0 | 0 | 0 | 115.3 | ||||
| 26 | L | 43.2 | Very low | 42.4 | Very low | 176 Ų | 176 | 145.8 Ų | 145.8 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | 18.9 | 109.8 | 147.2 | -66.6 | 158 | 0 | 0 | 0 | 121.6 | ||||
| 27 | G | 37.9 | Very low | 42.6 | Very low | 79 Ų | 79 | 145 Ų | 145 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | 69.8 | 163.2 | 138.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 28 | P | 51.9 | Low | 43.3 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | cis | -135.9 | 149.4 | 19.2 | 36 | -15.5 | 0 | 0 | 0 | 118.5 | ||||
| 29 | T | 47.9 | Very low | 43 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | 35.2 | 116.8 | 137.7 | -57.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 30 | A | 39.1 | Very low | 43.6 | Very low | 92 Ų | 92 | 142.6 Ų | 142.6 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | -145.7 | 132.2 | 136.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 31 | S | 54.8 | Low | 44.2 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -63.2 | 122 | -167.4 | 54.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 32 | W | 37.7 | Very low | 44.2 | Very low | 247 Ų | 247 | 140.4 Ų | 140.4 | 94% | 0.936 | 81% | 0.809 | S | S | * | * | trans | -110.3 | 113.7 | 146.4 | -102.7 | -84.7 | 0 | 0 | 0 | 108 | Q34 | W32-Q34 PolarHBondContact O-N 2.87Š| ||
| 33 | G | 40.5 | Very low | 44.8 | Very low | 70 Ų | 70 | 140.1 Ų | 140.1 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | trans | -51.2 | 134.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 34 | Q | 43 | Very low | 44.8 | Very low | 180 Ų | 180 | 131.8 Ų | 131.8 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -55 | 137.1 | 163 | -73.3 | -85 | -73 | 0 | 0 | 110.9 | W32 | W32-Q34 PolarHBondContact O-N 2.87Š| ||
| 35 | P | 43.8 | Very low | 45.2 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | trans | -94.4 | 113.9 | 148.3 | 18.3 | -2.2 | 0 | 0 | 0 | 108.7 | ||||
| 36 | S | 44.6 | Very low | 45.8 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | trans | -65.5 | 129.9 | 169.6 | 53.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 37 | T | 43.5 | Very low | 46.5 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | 45.3 | 118.8 | 140.5 | -22.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 38 | Q | 43.7 | Very low | 47.3 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | 70.5 | 108.7 | 147.7 | -87.1 | 178.7 | -32.3 | 0 | 0 | 120.7 | ||||
| 39 | S | 35.7 | Very low | 47.8 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | -156.9 | 113 | 121.9 | -176 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 40 | S | 53.8 | Low | 48.5 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -82.3 | 107 | 168.9 | 152.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 41 | A | 48.3 | Very low | 49.6 | Very low | 77 Ų | 77 | 140.1 Ų | 140.1 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | trans | 161.7 | 95.3 | 155.8 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 42 | Q | 46.3 | Very low | 50.1 | Low | 192 Ų | 192 | 140.6 Ų | 140.6 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | -159 | 116.7 | 82.1 | -82.7 | 160.9 | -1.1 | 0 | 0 | 108.4 | |||||
| 43 | Q | 49.1 | Very low | 51.4 | Low | 206 Ų | 206 | 135.8 Ų | 135.8 | 96% | 0.963 | 77% | 0.768 | S | S | * | * | trans | -55 | 138.9 | 157.2 | -70.1 | 167.6 | -42.9 | 0 | 0 | 108.7 | ||||
| 44 | G | 48.6 | Very low | 52.5 | Low | 69 Ų | 69 | 136.9 Ų | 136.9 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | 148.2 | 16.8 | 163 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 45 | L | 50.1 | Low | 53.5 | Low | 170 Ų | 170 | 132.5 Ų | 132.5 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | trans | -98.2 | 76.3 | 158.8 | -69.9 | 173.3 | 0 | 0 | 0 | 107.9 | T47 | L45-T47 PolarHBondContact O-N 2.93Š| ||
| 46 | Q | 59.3 | Low | 54.2 | Low | 160 Ų | 160 | 135.6 Ų | 135.6 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -68 | 85.2 | 160 | -173.3 | -170 | 77 | 0 | 0 | 106 | Q48 | Q46-Q48 VanDerWaalsContact C-N 3.25Å; Q46-Q48 HydrophobicContact CG-CG 4.47Å; Q46-Q48 PolarHBondContact O-N 3.49Å | ||
| 47 | T | 57.9 | Low | 54.8 | Low | 126 Ų | 126 | 139 Ų | 139 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | trans | -58.1 | 99.3 | 162.9 | -61.2 | 0 | 0 | 0 | 0 | 105.5 | L45 D49 | L45-T47 PolarHBondContact O-N 2.93Å; T47-D49 PolarHBondContact O-N 3.4Å | ||
| 48 | Q | 53.5 | Low | 55.4 | Low | 119 Ų | 119 | 145 Ų | 145 | 56% | 0.556 | 76% | 0.76 | S | S | * | * | trans | -63.7 | 107 | 167.7 | -69.2 | -147.7 | 73.2 | 0 | 0 | 106.1 | Q46 W50 | Q46-Q48 VanDerWaalsContact C-N 3.25Å; Q46-Q48 HydrophobicContact CG-CG 4.47Å; Q46-Q48 PolarHBondContact O-N 3.49Å; Q48-W50 VanDerWaalsContact C-N 3.34Å; Q48-W50 PolarHBondContact O-N 3.01Å | ||
| 49 | D | 63.6 | Low | 56.1 | Low | 123 Ų | 123 | 144.3 Ų | 144.3 | 66% | 0.658 | 75% | 0.749 | S | S | * | * | trans | -59.9 | 99.2 | 167.4 | -177.5 | 10.5 | 0 | 0 | 0 | 107.1 | T47 V51 | T47-D49 PolarHBondContact O-N 3.4Å; D49-V51 PolarHBondContact O-N 3.03Å; D49-V51 WeakPolarHBondContact OD1-CB 3.47Å; D49-V51 PolarHBondContact OD1-N 3.43Å | ||
| 50 | W | 61.9 | Low | 57.1 | Low | 225 Ų | 225 | 145.3 Ų | 145.3 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | trans | -71.9 | 9.7 | 179 | -70.2 | 103.3 | 0 | 0 | 0 | 112.7 | Q48 C52 | Q48-W50 VanDerWaalsContact C-N 3.34Å; Q48-W50 PolarHBondContact O-N 3.01Å; W50-C52 PolarHBondContact O-N 2.94Å | ||
| 51 | V | 62.1 | Low | 57.4 | Low | 101 Ų | 101 | 142.6 Ų | 142.6 | 61% | 0.612 | 74% | 0.744 | S | S | * | * | trans | -95.3 | 92.8 | 172 | -170.3 | 0 | 0 | 0 | 0 | 108.2 | D49 E53 | D49-V51 PolarHBondContact O-N 3.03Å; D49-V51 WeakPolarHBondContact OD1-CB 3.47Å; D49-V51 PolarHBondContact OD1-N 3.43Å; V51-E53 PolarHBondContact O-N 3.43Å | ||
| 52 | C | 64.5 | Low | 58.1 | Low | 120 Ų | 120 | 145.8 Ų | 145.8 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | trans | -59.7 | 104.5 | 158.4 | -73.8 | 0 | 0 | 0 | 0 | 107.6 | W50 P54 | W50-C52 PolarHBondContact O-N 2.94Å; C52-P54 WeakPolarHBondContact O-CD 3.48Å | ||
| 53 | E | 66.8 | Low | 58.9 | Low | 147 Ų | 147 | 144.1 Ų | 144.1 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | trans | -45.2 | 115.4 | 163.3 | -109.8 | -74.7 | 158 | 0 | 0 | 107.6 | V51 P55 | V51-E53 PolarHBondContact O-N 3.43Å; E53-P55 WeakPolarHBondContact O-CD 3.41Å; E53-P55 VanDerWaalsContact O-N 3.11Å | ||
| 54 | P | 62.6 | Low | 59.4 | Low | 92 Ų | 92 | 143.7 Ų | 143.7 | 60% | 0.597 | 72% | 0.721 | S | S | * | * | trans | -59.7 | 122.5 | -177.6 | -20.7 | 31.2 | 0 | 0 | 0 | 107.4 | C52 E56 | C52-P54 WeakPolarHBondContact O-CD 3.48Å; P54-E56 PolarHBondContact O-N 2.86Å | ||
| 55 | P | 64 | Low | 60.7 | Low | 89 Ų | 89 | 144.5 Ų | 144.5 | 58% | 0.578 | 72% | 0.716 | S | S | * | * | trans | -58.5 | 121.9 | -176.8 | 22 | -32 | 0 | 0 | 0 | 108 | E53 R57 | E53-P55 WeakPolarHBondContact O-CD 3.41Å; E53-P55 VanDerWaalsContact O-N 3.11Å; P55-R57 HydrophobicContact CB-CG 4.2Å; P55-R57 PolarHBondContact O-N 3.39Å | ||
| 56 | E | 58.7 | Low | 61.9 | Low | 185 Ų | 185 | 138.1 Ų | 138.1 | 86% | 0.864 | 68% | 0.684 | S | S | * | * | trans | -67.4 | 62.6 | 175.5 | -69.5 | 173 | 137.3 | 0 | 0 | 109.7 | P54 R58 | P54-E56 PolarHBondContact O-N 2.86Å; E56-R58 PolarHBondContact O-N 3.29Å | ||
| 57 | R | 56.5 | Low | 63 | Low | 174 Ų | 174 | 133.6 Ų | 133.6 | 66% | 0.657 | 67% | 0.67 | S | S | * | * | trans | -87.2 | 104.2 | 172.7 | -71.6 | -176 | -179 | -104.6 | 4.7 | 105.8 | P55 R59 | P55-R57 HydrophobicContact CB-CG 4.2Å; P55-R57 PolarHBondContact O-N 3.39Å; R57-R59 HydrophobicContact CB-CG 4.15Å; R57-R59 PolarHBondContact O-N 2.92Å | ||
| 58 | R | 57.4 | Low | 64.2 | Low | 248 Ų | 248 | 132.5 Ų | 132.5 | 94% | 0.936 | 66% | 0.658 | S | S | * | * | trans | -36.3 | 86.5 | 146.8 | -62.7 | -170.9 | -175.6 | -155.7 | 3.3 | 109.8 | E56 | E56-R58 PolarHBondContact O-N 3.29Š| ||
| 59 | R | 57.3 | Low | 65.9 | Low | 170 Ų | 170 | 132.5 Ų | 132.5 | 64% | 0.642 | 66% | 0.662 | S | S | * | * | trans | -120.4 | 114 | 167.3 | -68.3 | -159.2 | -176.7 | -157 | 3.3 | 105.7 | R57 G61 | R57-R59 HydrophobicContact CB-CG 4.15Å; R57-R59 PolarHBondContact O-N 2.92Å; R59-G61 PolarHBondContact O-N 3.48Å | ||
| 60 | P | 57.6 | Low | 66.9 | Low | 137 Ų | 137 | 129.7 Ų | 129.7 | 89% | 0.89 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -56.5 | 123.7 | 171 | -21.7 | 32.4 | 0 | 0 | 0 | 109.1 | ||
| 61 | G | 59.2 | Low | 68 | Low | 65 Ų | 65 | 126 Ų | 126 | 67% | 0.67 | 63% | 0.631 | S | S | * | * | trans | 70.4 | 73.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R59 H63 | R59-G61 PolarHBondContact O-N 3.48Å; G61-H63 PolarHBondContact O-N 3.23Å; G61-H63 VanDerWaalsContact O-N 3.14Å | ||
| 62 | R | 62.4 | Low | 69.2 | Low | 143 Ų | 143 | 129.4 Ų | 129.4 | 54% | 0.54 | 63% | 0.633 | S | S | . | * | trans | -66.4 | 111.6 | 147.2 | -60.4 | -170.9 | -176.8 | -96.4 | 7.4 | 106.4 | W64 S65 | R62-W64 HydrophobicContact CB-CD2 4.45Å; R62-W64 HydrophobicContact CB-CG 4.16Å; R62-W64 PolarHBondContact O-N 2.86Å; R62-S65 PolarHBondContact O-N 3.48Å; R62-S65 PolarHBondContact O-OG 2.97Å | ||
| 63 | H | 64.1 | Low | 70.3 | Confident | 158 Ų | 158 | 129.4 Ų | 129.4 | 73% | 0.731 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -54.3 | -3.9 | -176.1 | 58 | -92 | 0 | 0 | 0 | 115.6 | G61 V66 | G61-H63 PolarHBondContact O-N 3.23Å; G61-H63 VanDerWaalsContact O-N 3.14Å; H63-V66 WeakPolarHBondContact O-CG2 3.4Å |
| 64 | W | 59 | Low | 71.1 | Confident | 197 Ų | 197 | 126.6 Ų | 126.6 | 75% | 0.746 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -77.9 | -18.6 | 178 | 60.4 | -113.2 | 0 | 0 | 0 | 113.4 | R62 V66 | R62-W64 HydrophobicContact CB-CD2 4.45Å; R62-W64 HydrophobicContact CB-CG 4.16Å; R62-W64 PolarHBondContact O-N 2.86Å; W64-V66 VanDerWaalsContact C-N 3.33Å |
| 65 | S | 75.7 | Confident | 71.8 | Confident | 85 Ų | 85 | 125.7 Ų | 125.7 | 59% | 0.594 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -91 | 8.9 | 179.3 | 60.7 | 0 | 0 | 0 | 0 | 114.3 | R62 | R62-S65 PolarHBondContact O-N 3.48Å; R62-S65 PolarHBondContact O-OG 2.97Å |
| 66 | V | 76.4 | Confident | 72.6 | Confident | 37 Ų | 37 | 129 Ų | 129 | 22% | 0.224 | 62% | 0.615 | C | S | . | * | trans | -81.4 | 124.9 | -173.9 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | H63 W64 E70 R71 L74 | H63-V66 WeakPolarHBondContact O-CG2 3.4Å; W64-V66 VanDerWaalsContact C-N 3.33Å; V66-E70 HydrophobicContact CB-CG 4.47Å; V66-E70 HydrophobicContact CG1-CB 3.57Å; V66-E70 HydrophobicContact CG1-CG 3.24Å; V66-R71 HydrophobicContact CB-CG 4.04Å; V66-R71 HydrophobicContact CG1-CB 4.43Å; V66-R71 HydrophobicContact CG1-CG 3.53Å; V66-L74 HydrophobicContact CG1-CD1 4.4Å | ||
| 67 | S | 82.1 | Confident | 73.5 | Confident | 65 Ų | 65 | 125.7 Ų | 125.7 | 46% | 0.455 | 60% | 0.603 | S | S | . | * | trans | -61.2 | 160.2 | 176.3 | 79.3 | 0 | 0 | 0 | 0 | 111.2 | D69 E70 R71 | S67-D69 VanDerWaalsContact C-N 3.27Å; S67-D69 PolarHBondContact O-N 3.38Å; S67-E70 PolarHBondContact O-N 3.39Å; S67-E70 VanDerWaalsContact OG-CB 3.27Å; S67-E70 WeakPolarHBondContact OG-CB 3.48Å; S67-E70 PolarHBondContact OG-N 2.86Å; S67-E70 VanDerWaalsContact OG-N 3.16Å; S67-R71 PolarHBondContact O-N 3.23Å | ||
| 68 | I | 82.9 | Confident | 73.9 | Confident | 103 Ų | 103 | 120 Ų | 120 | 53% | 0.528 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -59.7 | -41.4 | 178.6 | -69.8 | 169.8 | 0 | 0 | 0 | 110.8 | R71 R72 | I68-R71 PolarHBondContact O-N 2.77Å; I68-R72 WeakPolarHBondContact O-CG 3.23Å; I68-R72 PolarHBondContact O-N 3.42Å |
| 69 | D | 88.6 | Confident | 74 | Confident | 118 Ų | 118 | 111.6 Ų | 111.6 | 63% | 0.631 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.5 | -36.8 | 179.4 | -61 | -45.2 | 0 | 0 | 0 | 112.5 | S67 R72 R73 | S67-D69 VanDerWaalsContact C-N 3.27Å; S67-D69 PolarHBondContact O-N 3.38Å; D69-R72 PolarHBondContact O-N 2.89Å; D69-R73 WeakPolarHBondContact O-CB 3.31Å; D69-R73 PolarHBondContact O-N 3.43Å |
| 70 | E | 84.8 | Confident | 73.9 | Confident | 64 Ų | 64 | 114.2 Ų | 114.2 | 30% | 0.299 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.2 | -43.4 | 174.5 | -178.9 | 73.6 | -152.6 | 0 | 0 | 110.8 | V66 S67 R72 R73 L74 | V66-E70 HydrophobicContact CB-CG 4.47Å; V66-E70 HydrophobicContact CG1-CB 3.57Å; V66-E70 HydrophobicContact CG1-CG 3.24Å; S67-E70 PolarHBondContact O-N 3.39Å; S67-E70 VanDerWaalsContact OG-CB 3.27Å; S67-E70 WeakPolarHBondContact OG-CB 3.48Å; S67-E70 PolarHBondContact OG-N 2.86Å; S67-E70 VanDerWaalsContact OG-N 3.16Å; E70-R72 PolarHBondContact O-N 3.27Å; E70-R73 PolarHBondContact O-N 2.89Å; E70-R73 IonicContact OE1-CZ 3.6Å; E70-R73 IonicContact OE1-NH1 3Å; E70-R73 IonicContact OE1-NH2 3.21Å; E70-R73 PolarHBondContact OE1-NH2 3.21Å; E70-R73 IonicContact OE2-CZ 2.61Å; E70-R73 IonicContact OE2-NH1 2.62Å; E70-R73 PolarHBondContact OE2-NH1 3.2Å; E70-R73 IonicContact OE2-NH2 3.44Å; E70-R73 PolarHBondContact OE2-NH2 2.99Å; E70-L74 HydrophobicContact CG-CD1 4.4Å; E70-L74 VanDerWaalsContact O-CG 3.31Å; E70-L74 WeakPolarHBondContact O-CG 3.47Å; E70-L74 PolarHBondContact O-N 3.5Å |
| 71 | R | 85.7 | Confident | 73.7 | Confident | 148 Ų | 148 | 116.2 Ų | 116.2 | 56% | 0.558 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -60.7 | -43.4 | 172.7 | -77.8 | -174.4 | -79 | -174.2 | -3.5 | 112.2 | V66 S67 I68 L74 A75 | V66-R71 HydrophobicContact CB-CG 4.04Å; V66-R71 HydrophobicContact CG1-CB 4.43Å; V66-R71 HydrophobicContact CG1-CG 3.53Å; S67-R71 PolarHBondContact O-N 3.23Å; I68-R71 PolarHBondContact O-N 2.77Å; R71-L74 PolarHBondContact O-N 3.27Å; R71-A75 PolarHBondContact O-N 3.37Å |
| 72 | R | 87.1 | Confident | 73.3 | Confident | 173 Ų | 173 | 123.3 Ų | 123.3 | 65% | 0.653 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.7 | -43.5 | 176 | -72.7 | 171.6 | -179.5 | -109.3 | 2.1 | 111.3 | I68 D69 E70 A75 M76 | I68-R72 WeakPolarHBondContact O-CG 3.23Å; I68-R72 PolarHBondContact O-N 3.42Å; D69-R72 PolarHBondContact O-N 2.89Å; E70-R72 PolarHBondContact O-N 3.27Å; R72-A75 PolarHBondContact O-N 3.37Å; R72-M76 WeakPolarHBondContact O-CG 3.45Å; R72-M76 PolarHBondContact O-N 3.4Å; R72-M76 VanDerWaalsContact O-N 3.15Å |
| 73 | R | 86.7 | Confident | 72.7 | Confident | 119 Ų | 119 | 122.8 Ų | 122.8 | 45% | 0.449 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64.6 | -42.1 | 178 | -165 | -175.6 | 73 | -103.1 | 1.6 | 112 | D69 E70 M76 L77 | D69-R73 WeakPolarHBondContact O-CB 3.31Å; D69-R73 PolarHBondContact O-N 3.43Å; E70-R73 PolarHBondContact O-N 2.89Å; E70-R73 IonicContact OE1-CZ 3.6Å; E70-R73 IonicContact OE1-NH1 3Å; E70-R73 IonicContact OE1-NH2 3.21Å; E70-R73 PolarHBondContact OE1-NH2 3.21Å; E70-R73 IonicContact OE2-CZ 2.61Å; E70-R73 IonicContact OE2-NH1 2.62Å; E70-R73 PolarHBondContact OE2-NH1 3.2Å; E70-R73 IonicContact OE2-NH2 3.44Å; E70-R73 PolarHBondContact OE2-NH2 2.99Å; R73-M76 PolarHBondContact O-N 3.17Å; R73-L77 HydrophobicContact CG-CD1 3.96Å; R73-L77 WeakPolarHBondContact O-CD1 3.44Å; R73-L77 PolarHBondContact O-N 3.32Å |
| 74 | L | 83.9 | Confident | 72.2 | Confident | 88 Ų | 88 | 118.9 Ų | 118.9 | 46% | 0.461 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.4 | -37.7 | 177.5 | -70.6 | 172.8 | 0 | 0 | 0 | 112.2 | V66 E70 R71 M76 L77 G78 | V66-L74 HydrophobicContact CG1-CD1 4.4Å; E70-L74 HydrophobicContact CG-CD1 4.4Å; E70-L74 VanDerWaalsContact O-CG 3.31Å; E70-L74 WeakPolarHBondContact O-CG 3.47Å; E70-L74 PolarHBondContact O-N 3.5Å; R71-L74 PolarHBondContact O-N 3.27Å; L74-M76 VanDerWaalsContact C-N 3.31Å; L74-M76 PolarHBondContact O-N 3.21Å; L74-L77 PolarHBondContact O-N 3.36Å; L74-G78 PolarHBondContact O-N 3.3Å |
| 75 | A | 77.3 | Confident | 71.4 | Confident | 73 Ų | 73 | 113.8 Ų | 113.8 | 60% | 0.603 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.1 | -38.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R71 R72 G79 | R71-A75 PolarHBondContact O-N 3.37Å; R72-A75 PolarHBondContact O-N 3.37Å; A75-G79 PolarHBondContact O-N 2.89Å |
| 76 | M | 81.3 | Confident | 70.4 | Confident | 158 Ų | 158 | 115.2 Ų | 115.2 | 78% | 0.778 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.9 | -34.4 | 175.3 | -67.7 | -66.2 | -64.7 | 0 | 0 | 112.8 | R72 R73 L74 | R72-M76 WeakPolarHBondContact O-CG 3.45Å; R72-M76 PolarHBondContact O-N 3.4Å; R72-M76 VanDerWaalsContact O-N 3.15Å; R73-M76 PolarHBondContact O-N 3.17Å; L74-M76 VanDerWaalsContact C-N 3.31Å; L74-M76 PolarHBondContact O-N 3.21Å |
| 77 | L | 77.6 | Confident | 69.1 | Low | 117 Ų | 117 | 116.6 Ų | 116.6 | 61% | 0.613 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -76.1 | -38.1 | 175.2 | -97.8 | 93 | 0 | 0 | 0 | 113 | R73 L74 G79 R80 | R73-L77 HydrophobicContact CG-CD1 3.96Å; R73-L77 WeakPolarHBondContact O-CD1 3.44Å; R73-L77 PolarHBondContact O-N 3.32Å; L74-L77 PolarHBondContact O-N 3.36Å; L77-G79 PolarHBondContact O-N 3.45Å; L77-R80 PolarHBondContact O-N 3.15Å |
| 78 | G | 64.4 | Low | 67.5 | Low | 55 Ų | 55 | 117.4 Ų | 117.4 | 57% | 0.567 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -70.7 | -14.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L74 R80 | L74-G78 PolarHBondContact O-N 3.3Å; G78-R80 VanDerWaalsContact C-N 3.27Å; G78-R80 PolarHBondContact O-N 3.41Å |
| 79 | G | 59.3 | Low | 65.8 | Low | 71 Ų | 71 | 116.6 Ų | 116.6 | 73% | 0.732 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -5.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A75 L77 | A75-G79 PolarHBondContact O-N 2.89Å; L77-G79 PolarHBondContact O-N 3.45Å |
| 80 | R | 56.8 | Low | 64.3 | Low | 225 Ų | 225 | 117.7 Ų | 117.7 | 85% | 0.849 | 68% | 0.676 | S | S | * | * | trans | -103.1 | 49.3 | 179.4 | -156.6 | 178.3 | -152.8 | -109 | 1.6 | 111.8 | L77 G78 R82 | L77-R80 PolarHBondContact O-N 3.15Å; G78-R80 VanDerWaalsContact C-N 3.27Å; G78-R80 PolarHBondContact O-N 3.41Å; R80-R82 PolarHBondContact O-N 3.39Å; R80-R82 VanDerWaalsContact O-N 3.13Å | ||
| 81 | E | 53.4 | Low | 63 | Low | 178 Ų | 178 | 121.6 Ų | 121.6 | 83% | 0.832 | 69% | 0.694 | S | S | * | * | trans | -65.5 | 112.6 | 161 | -75.4 | -129.8 | 141.7 | 0 | 0 | 108.6 | P83 | E81-P83 WeakPolarHBondContact O-CD 3.26Š| ||
| 82 | R | 50.7 | Low | 61.6 | Low | 214 Ų | 214 | 118.3 Ų | 118.3 | 81% | 0.808 | 69% | 0.693 | S | S | * | * | trans | -59.7 | 123.7 | 176.2 | 173.1 | 172.7 | 165.8 | 173.9 | -5.1 | 109.2 | R80 G84 | R80-R82 PolarHBondContact O-N 3.39Å; R80-R82 VanDerWaalsContact O-N 3.13Å; R82-G84 PolarHBondContact O-N 3.48Å; R82-G84 VanDerWaalsContact O-N 3.09Å | ||
| 83 | P | 50 | Low | 60.2 | Low | 132 Ų | 132 | 120.1 Ų | 120.1 | 86% | 0.857 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 116 | 169.9 | -18 | 30.3 | 0 | 0 | 0 | 108.7 | E81 | E81-P83 WeakPolarHBondContact O-CD 3.26Š|
| 84 | G | 52.8 | Low | 59.6 | Low | 77 Ų | 77 | 118 Ų | 118 | 79% | 0.794 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 120.4 | 30.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | R82 | R82-G84 PolarHBondContact O-N 3.48Å; R82-G84 VanDerWaalsContact O-N 3.09Å |
| 85 | A | 42.2 | Very low | 59.3 | Low | 90 Ų | 90 | 118.8 Ų | 118.8 | 74% | 0.744 | 70% | 0.701 | S | S | * | * | trans | -104.5 | 103 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | G87 | A85-G87 PolarHBondContact O-N 3.31Š| ||
| 86 | A | 54.2 | Low | 59.4 | Low | 115 Ų | 115 | 120.3 Ų | 120.3 | 95% | 0.95 | 70% | 0.703 | S | S | * | * | trans | -55 | 120.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 87 | G | 50.1 | Low | 59.3 | Low | 65 Ų | 65 | 119.2 Ų | 119.2 | 67% | 0.67 | 70% | 0.696 | S | S | * | * | trans | 163.5 | 57.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | A85 P89 | A85-G87 PolarHBondContact O-N 3.31Å; G87-P89 VanDerWaalsContact O-CD 3.31Å; G87-P89 WeakPolarHBondContact O-CD 3.45Å; G87-P89 VanDerWaalsContact O-N 3.16Å | ||
| 88 | A | 47.9 | Very low | 59.3 | Low | 83 Ų | 83 | 119.3 Ų | 119.3 | 69% | 0.686 | 69% | 0.694 | S | S | * | * | trans | -52.6 | 122.2 | 170 | 0 | 0 | 0 | 0 | 0 | 108.3 | L90 | A88-L90 PolarHBondContact O-N 3.43Š| ||
| 89 | P | 47.9 | Very low | 60 | Low | 86 Ų | 86 | 120.4 Ų | 120.4 | 56% | 0.558 | 69% | 0.69 | S | S | * | * | trans | -64.7 | 109.2 | 166.2 | -10.5 | 25.3 | 0 | 0 | 0 | 105.6 | G87 H91 C92 | G87-P89 VanDerWaalsContact O-CD 3.31Å; G87-P89 WeakPolarHBondContact O-CD 3.45Å; G87-P89 VanDerWaalsContact O-N 3.16Å; P89-H91 PolarHBondContact O-N 3.07Å; P89-C92 PolarHBondContact O-N 3.01Å | ||
| 90 | L | 55.8 | Low | 61 | Low | 141 Ų | 141 | 119.4 Ų | 119.4 | 74% | 0.738 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -49.5 | -28.4 | -179.9 | -71.3 | 163.7 | 0 | 0 | 0 | 111.4 | A88 C92 D94 | A88-L90 PolarHBondContact O-N 3.43Å; L90-C92 PolarHBondContact O-N 2.8Å; L90-D94 VanDerWaalsContact O-OD2 3.09Å |
| 91 | H | 57.9 | Low | 61.9 | Low | 145 Ų | 145 | 114.6 Ų | 114.6 | 67% | 0.671 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65.7 | -28.8 | 177.5 | -71.1 | -58.6 | 0 | 0 | 0 | 117.1 | P89 I95 | P89-H91 PolarHBondContact O-N 3.07Å; H91-I95 WeakPolarHBondContact O-CG1 3.28Å; H91-I95 PolarHBondContact O-N 2.92Å |
| 92 | C | 56.9 | Low | 63 | Low | 80 Ų | 80 | 109.2 Ų | 109.2 | 54% | 0.541 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -77.4 | -31 | -176.3 | -68.2 | 0 | 0 | 0 | 0 | 112.1 | P89 L90 D94 | P89-C92 PolarHBondContact O-N 3.01Å; L90-C92 PolarHBondContact O-N 2.8Å; C92-D94 VanDerWaalsContact C-N 3.34Å |
| 93 | R | 57.5 | Low | 64.1 | Low | 210 Ų | 210 | 103.4 Ų | 103.4 | 79% | 0.792 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.5 | -34.4 | 176.3 | -129.9 | 179.9 | 170.8 | -159.6 | -4.9 | 111.1 | Q97 | R93-Q97 PolarHBondContact O-N 3.3Å |
| 94 | D | 73.3 | Confident | 65.2 | Low | 76 Ų | 76 | 102.1 Ų | 102.1 | 41% | 0.406 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.1 | -39.6 | 178.5 | -61.6 | -21 | 0 | 0 | 0 | 112.3 | L90 C92 Q97 M98 | L90-D94 VanDerWaalsContact O-OD2 3.09Å; C92-D94 VanDerWaalsContact C-N 3.34Å; D94-Q97 PolarHBondContact O-N 3.46Å; D94-M98 WeakPolarHBondContact O-CB 3.37Å; D94-M98 VanDerWaalsContact O-CG 3.3Å; D94-M98 WeakPolarHBondContact O-CG 3.43Å; D94-M98 PolarHBondContact O-N 2.99Å |
| 95 | I | 78.8 | Confident | 66 | Low | 103 Ų | 103 | 104.5 Ų | 104.5 | 53% | 0.528 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.9 | -44.1 | -179.5 | -65.1 | 164.9 | 0 | 0 | 0 | 111.2 | H91 Q97 M98 V99 | H91-I95 WeakPolarHBondContact O-CG1 3.28Å; H91-I95 PolarHBondContact O-N 2.92Å; I95-Q97 VanDerWaalsContact C-N 3.29Å; I95-Q97 PolarHBondContact O-N 3.4Å; I95-M98 PolarHBondContact O-N 2.93Å; I95-V99 HydrophobicContact CG2-CG2 4.3Å; I95-V99 WeakPolarHBondContact O-CB 3.33Å; I95-V99 VanDerWaalsContact O-CG2 3.27Å; I95-V99 WeakPolarHBondContact O-CG2 3.48Å; I95-V99 PolarHBondContact O-N 3.14Å |
| 96 | V | 78.9 | Confident | 67 | Low | 106 Ų | 106 | 107.1 Ų | 107.1 | 64% | 0.642 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.5 | -40.9 | 178.8 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | A100 | V96-A100 WeakPolarHBondContact O-CB 3.45Å; V96-A100 PolarHBondContact O-N 3.49Å |
| 97 | Q | 79.6 | Confident | 67.4 | Low | 135 Ų | 135 | 103.9 Ų | 103.9 | 63% | 0.631 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.9 | -41.1 | 178.8 | -167 | 166.5 | 10.1 | 0 | 0 | 112.2 | R93 D94 I95 A100 Q101 | R93-Q97 PolarHBondContact O-N 3.3Å; D94-Q97 PolarHBondContact O-N 3.46Å; I95-Q97 VanDerWaalsContact C-N 3.29Å; I95-Q97 PolarHBondContact O-N 3.4Å; Q97-A100 PolarHBondContact O-N 3.2Å; Q97-Q101 WeakPolarHBondContact O-CB 3.15Å; Q97-Q101 PolarHBondContact O-N 2.89Å |
| 98 | M | 76.3 | Confident | 68.1 | Low | 118 Ų | 118 | 105.6 Ų | 105.6 | 58% | 0.581 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.4 | -45.2 | 173.2 | -80.6 | 177.1 | 50 | 0 | 0 | 112.3 | D94 I95 Q101 L102 | D94-M98 WeakPolarHBondContact O-CB 3.37Å; D94-M98 VanDerWaalsContact O-CG 3.3Å; D94-M98 WeakPolarHBondContact O-CG 3.43Å; D94-M98 PolarHBondContact O-N 2.99Å; I95-M98 PolarHBondContact O-N 2.93Å; M98-Q101 PolarHBondContact O-N 2.99Å; M98-L102 WeakPolarHBondContact O-CB 3.34Å; M98-L102 WeakPolarHBondContact O-CG 3.46Å; M98-L102 PolarHBondContact O-N 2.97Å |
| 99 | V | 79.9 | Confident | 68.7 | Low | 79 Ų | 79 | 107 Ų | 107 | 48% | 0.479 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.5 | -42.9 | 178 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | I95 Q101 L102 V103 | I95-V99 HydrophobicContact CG2-CG2 4.3Å; I95-V99 WeakPolarHBondContact O-CB 3.33Å; I95-V99 VanDerWaalsContact O-CG2 3.27Å; I95-V99 WeakPolarHBondContact O-CG2 3.48Å; I95-V99 PolarHBondContact O-N 3.14Å; V99-Q101 VanDerWaalsContact C-N 3.3Å; V99-Q101 PolarHBondContact O-N 2.86Å; V99-L102 PolarHBondContact O-N 2.68Å; V99-V103 HydrophobicContact CG1-CG2 4.22Å; V99-V103 WeakPolarHBondContact O-CB 3.42Å; V99-V103 WeakPolarHBondContact O-CG2 3.31Å; V99-V103 PolarHBondContact O-N 2.89Å |
| 100 | A | 80.6 | Confident | 69.2 | Low | 49 Ų | 49 | 108.8 Ų | 108.8 | 41% | 0.405 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.1 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V96 Q97 V103 S104 | V96-A100 WeakPolarHBondContact O-CB 3.45Å; V96-A100 PolarHBondContact O-N 3.49Å; Q97-A100 PolarHBondContact O-N 3.2Å; A100-V103 PolarHBondContact O-N 3.32Å; A100-S104 VanDerWaalsContact O-CB 3.31Å; A100-S104 WeakPolarHBondContact O-CB 3.36Å; A100-S104 PolarHBondContact O-N 2.91Å; A100-S104 PolarHBondContact O-OG 3.29Å |
| 101 | Q | 76.3 | Confident | 69.3 | Low | 124 Ų | 124 | 107 Ų | 107 | 58% | 0.579 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.3 | -46.8 | 176.9 | -166.5 | 174 | -33.2 | 0 | 0 | 111.5 | Q97 M98 V99 V103 S104 E105 | Q97-Q101 WeakPolarHBondContact O-CB 3.15Å; Q97-Q101 PolarHBondContact O-N 2.89Å; M98-Q101 PolarHBondContact O-N 2.99Å; V99-Q101 VanDerWaalsContact C-N 3.3Å; V99-Q101 PolarHBondContact O-N 2.86Å; Q101-V103 VanDerWaalsContact C-N 3.27Å; Q101-V103 PolarHBondContact O-N 3.4Å; Q101-S104 PolarHBondContact O-N 2.94Å; Q101-E105 WeakPolarHBondContact O-CB 3.46Å; Q101-E105 PolarHBondContact O-N 3.41Å |
| 102 | L | 75.4 | Confident | 69.5 | Low | 65 Ų | 65 | 105.4 Ų | 105.4 | 34% | 0.34 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.1 | -22.4 | 176.8 | -72.9 | 170.1 | 0 | 0 | 0 | 114.4 | M98 V99 K109 | M98-L102 WeakPolarHBondContact O-CB 3.34Å; M98-L102 WeakPolarHBondContact O-CG 3.46Å; M98-L102 PolarHBondContact O-N 2.97Å; V99-L102 PolarHBondContact O-N 2.68Å; L102-K109 PolarHBondContact O-NZ 3.18Å; L102-K109 VanDerWaalsContact O-NZ 3.14Å |
| 103 | V | 74.8 | Confident | 69.6 | Low | 93 Ų | 93 | 109.4 Ų | 109.4 | 56% | 0.564 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -85.4 | -34 | 173.6 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | V99 A100 Q101 | V99-V103 HydrophobicContact CG1-CG2 4.22Å; V99-V103 WeakPolarHBondContact O-CB 3.42Å; V99-V103 WeakPolarHBondContact O-CG2 3.31Å; V99-V103 PolarHBondContact O-N 2.89Å; A100-V103 PolarHBondContact O-N 3.32Å; Q101-V103 VanDerWaalsContact C-N 3.27Å; Q101-V103 PolarHBondContact O-N 3.4Å |
| 104 | S | 72.1 | Confident | 69.8 | Low | 104 Ų | 104 | 105 Ų | 105 | 73% | 0.727 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -74.6 | -28.3 | 177.8 | -55.8 | 0 | 0 | 0 | 0 | 112.8 | A100 Q101 D106 | A100-S104 VanDerWaalsContact O-CB 3.31Å; A100-S104 WeakPolarHBondContact O-CB 3.36Å; A100-S104 PolarHBondContact O-N 2.91Å; A100-S104 PolarHBondContact O-OG 3.29Å; Q101-S104 PolarHBondContact O-N 2.94Å; S104-D106 VanDerWaalsContact C-N 3.25Å; S104-D106 PolarHBondContact O-N 3.33Å |
| 105 | E | 68.9 | Low | 68.9 | Low | 127 Ų | 127 | 109 Ų | 109 | 59% | 0.593 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 0.2 | 179.6 | -161.5 | 164.7 | -162 | 0 | 0 | 113 | Q101 V107 | Q101-E105 WeakPolarHBondContact O-CB 3.46Å; Q101-E105 PolarHBondContact O-N 3.41Å; E105-V107 HydrophobicContact CB-CG2 4.08Å; E105-V107 HydrophobicContact CG-CG2 3.9Å; E105-V107 PolarHBondContact O-N 2.92Å |
| 106 | D | 63.1 | Low | 68 | Low | 146 Ų | 146 | 108.8 Ų | 108.8 | 78% | 0.781 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 46.4 | 34 | 179.2 | -158.9 | 41.3 | 0 | 0 | 0 | 113.6 | S104 D108 | S104-D106 VanDerWaalsContact C-N 3.25Å; S104-D106 PolarHBondContact O-N 3.33Å; D106-D108 PolarHBondContact O-N 3.05Å |
| 107 | V | 63.8 | Low | 67.2 | Low | 46 Ų | 46 | 111.4 Ų | 111.4 | 28% | 0.279 | 60% | 0.598 | S | S | . | * | trans | -71 | 106 | 174.3 | -178.9 | 0 | 0 | 0 | 0 | 106.6 | E105 K109 | E105-V107 HydrophobicContact CB-CG2 4.08Å; E105-V107 HydrophobicContact CG-CG2 3.9Å; E105-V107 PolarHBondContact O-N 2.92Å; V107-K109 PolarHBondContact O-N 3.38Å | ||
| 108 | D | 64.3 | Low | 66.2 | Low | 101 Ų | 101 | 113.8 Ų | 113.8 | 54% | 0.54 | 60% | 0.602 | S | S | . | * | trans | -47.4 | 124.5 | 175.2 | -165.2 | 3.9 | 0 | 0 | 0 | 109.1 | D106 D110 V111 | D106-D108 PolarHBondContact O-N 3.05Å; D108-D110 PolarHBondContact O-N 2.95Å; D108-V111 HydrophobicContact CB-CG2 4.15Å; D108-V111 PolarHBondContact O-N 2.89Å; D108-V111 VanDerWaalsContact O-N 3.07Å | ||
| 109 | K | 60.3 | Low | 65.3 | Low | 113 Ų | 113 | 111.6 Ų | 111.6 | 49% | 0.491 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.1 | -6.4 | -168.9 | -61 | -64.8 | 165.8 | -164.4 | 0 | 112.6 | L102 V107 | L102-K109 PolarHBondContact O-NZ 3.18Å; L102-K109 VanDerWaalsContact O-NZ 3.14Å; V107-K109 PolarHBondContact O-N 3.38Å |
| 110 | D | 58.2 | Low | 64.4 | Low | 123 Ų | 123 | 113.1 Ų | 113.1 | 66% | 0.658 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -8.1 | -177.5 | -58 | -16.1 | 0 | 0 | 0 | 112.5 | D108 | D108-D110 PolarHBondContact O-N 2.95Š|
| 111 | V | 58.3 | Low | 63.4 | Low | 104 Ų | 104 | 118.1 Ų | 118.1 | 63% | 0.63 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -12.3 | 179.8 | -178 | 0 | 0 | 0 | 0 | 112.8 | D108 | D108-V111 HydrophobicContact CB-CG2 4.15Å; D108-V111 PolarHBondContact O-N 2.89Å; D108-V111 VanDerWaalsContact O-N 3.07Å |
| 112 | L | 62.3 | Low | 62.8 | Low | 112 Ų | 112 | 115 Ų | 115 | 59% | 0.586 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 16 | -175.7 | -62.8 | -175.9 | 0 | 0 | 0 | 115.2 | P114 | L112-P114 WeakPolarHBondContact O-CD 3.4Š|
| 113 | F | 58.5 | Low | 62.5 | Low | 164 Ų | 164 | 114.4 Ų | 114.4 | 72% | 0.719 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -102.4 | 107.6 | 160.9 | -63.3 | -69.3 | 0 | 0 | 0 | 107.8 | H115 | F113-H115 VanDerWaalsContact C-N 3.29Å; F113-H115 PolarHBondContact O-N 3.37Å |
| 114 | P | 61.8 | Low | 62.4 | Low | 116 Ų | 116 | 115 Ų | 115 | 75% | 0.753 | 61% | 0.614 | S | S | * | * | trans | -54.3 | 108.4 | 159.6 | 23.2 | -30.3 | 0 | 0 | 0 | 105.4 | L112 P116 | L112-P114 WeakPolarHBondContact O-CD 3.4Å; P114-P116 WeakPolarHBondContact O-CD 3.21Å | ||
| 115 | H | 55.3 | Low | 62.7 | Low | 160 Ų | 160 | 113 Ų | 113 | 74% | 0.741 | 60% | 0.603 | S | S | * | * | trans | -54.7 | 116.3 | 172.8 | -160.7 | 84.5 | 0 | 0 | 0 | 104.3 | F113 L117 | F113-H115 VanDerWaalsContact C-N 3.29Å; F113-H115 PolarHBondContact O-N 3.37Å; H115-L117 PolarHBondContact O-N 2.86Å | ||
| 116 | P | 58.9 | Low | 63.2 | Low | 99 Ų | 99 | 112.4 Ų | 112.4 | 64% | 0.643 | 60% | 0.599 | S | S | * | * | trans | -55.9 | 110.3 | -179.1 | -23.3 | 33.1 | 0 | 0 | 0 | 105.3 | P114 R118 | P114-P116 WeakPolarHBondContact O-CD 3.21Å; P116-R118 VanDerWaalsContact C-N 3.3Å; P116-R118 PolarHBondContact O-N 3.47Å | ||
| 117 | L | 61.7 | Low | 64.1 | Low | 161 Ų | 161 | 110.6 Ų | 110.6 | 84% | 0.843 | 59% | 0.586 | S | S | * | * | trans | -53 | 109.6 | 172.9 | -74.3 | 169.7 | 0 | 0 | 0 | 103 | H115 S119 | H115-L117 PolarHBondContact O-N 2.86Å; L117-S119 PolarHBondContact O-N 3.42Å | ||
| 118 | R | 58.6 | Low | 65 | Low | 185 Ų | 185 | 111.2 Ų | 111.2 | 70% | 0.698 | 60% | 0.595 | S | S | * | * | trans | -65.5 | 90.9 | -179.1 | -77 | -129.1 | 152.2 | 173.9 | -6.5 | 105.1 | P116 T120 | P116-R118 VanDerWaalsContact C-N 3.3Å; P116-R118 PolarHBondContact O-N 3.47Å; R118-T120 PolarHBondContact O-N 2.92Å | ||
| 119 | S | 58.2 | Low | 66 | Low | 72 Ų | 72 | 111.9 Ų | 111.9 | 50% | 0.503 | 59% | 0.594 | S | S | . | * | trans | -48.5 | 123.5 | 171.4 | -60 | 0 | 0 | 0 | 0 | 104.7 | L117 E121 S122 T123 | L117-S119 PolarHBondContact O-N 3.42Å; S119-E121 CarbonylContact O-C 3.57Å; S119-E121 PolarHBondContact O-N 3.23Å; S119-S122 WeakPolarHBondContact O-CA 3.3Å; S119-S122 WeakPolarHBondContact O-CB 3.34Å; S119-S122 PolarHBondContact O-N 3.4Å; S119-S122 PolarHBondContact O-OG 3.23Å; S119-T123 PolarHBondContact O-N 3.38Å | ||
| 120 | T | 60.5 | Low | 67.2 | Low | 112 Ų | 112 | 109.7 Ų | 109.7 | 69% | 0.687 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -48.6 | -31.4 | 177.8 | 43 | 0 | 0 | 0 | 0 | 110.7 | R118 T123 N124 | R118-T120 PolarHBondContact O-N 2.92Å; T120-T123 PolarHBondContact O-N 3.42Å; T120-N124 WeakPolarHBondContact O-CB 3.34Å; T120-N124 PolarHBondContact O-N 2.94Å; T120-N124 PolarHBondContact O-ND2 3.31Å |
| 121 | E | 60.2 | Low | 68.3 | Low | 154 Ų | 154 | 107.3 Ų | 107.3 | 72% | 0.72 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -54.8 | -48.5 | 168.3 | -165.5 | 177.4 | 166.7 | 0 | 0 | 115 | S119 N124 A125 | S119-E121 CarbonylContact O-C 3.57Å; S119-E121 PolarHBondContact O-N 3.23Å; E121-N124 PolarHBondContact O-N 3.01Å; E121-A125 WeakPolarHBondContact O-CB 3.27Å; E121-A125 PolarHBondContact O-N 2.66Å |
| 122 | S | 64.6 | Low | 69.4 | Low | 57 Ų | 57 | 112 Ų | 112 | 40% | 0.399 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.9 | -38 | 177.4 | 72.6 | 0 | 0 | 0 | 0 | 112.6 | S119 A125 F126 | S119-S122 WeakPolarHBondContact O-CA 3.3Å; S119-S122 WeakPolarHBondContact O-CB 3.34Å; S119-S122 PolarHBondContact O-N 3.4Å; S119-S122 PolarHBondContact O-OG 3.23Å; S122-A125 PolarHBondContact O-N 2.98Å; S122-F126 WeakPolarHBondContact O-CB 3.46Å; S122-F126 PolarHBondContact O-N 3.27Å |
| 123 | T | 67.6 | Low | 70.2 | Confident | 54 Ų | 54 | 107.7 Ų | 107.7 | 33% | 0.331 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.5 | -43.3 | 175.7 | -63.8 | 0 | 0 | 0 | 0 | 110.1 | S119 T120 F126 Q127 | S119-T123 PolarHBondContact O-N 3.38Å; T120-T123 PolarHBondContact O-N 3.42Å; T123-F126 PolarHBondContact O-N 3.31Å; T123-Q127 VanDerWaalsContact O-CG 3.23Å; T123-Q127 WeakPolarHBondContact O-CG 3.39Å; T123-Q127 PolarHBondContact O-N 2.81Å |
| 124 | N | 74.3 | Confident | 70.8 | Confident | 106 Ų | 106 | 101.6 Ų | 101.6 | 57% | 0.567 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.7 | -39.7 | 176.3 | -73.3 | -33.6 | 0 | 0 | 0 | 112.4 | T120 E121 Q127 A128 | T120-N124 WeakPolarHBondContact O-CB 3.34Å; T120-N124 PolarHBondContact O-N 2.94Å; T120-N124 PolarHBondContact O-ND2 3.31Å; E121-N124 PolarHBondContact O-N 3.01Å; N124-Q127 PolarHBondContact O-N 2.99Å; N124-A128 VanDerWaalsContact O-CB 3.31Å; N124-A128 WeakPolarHBondContact O-CB 3.31Å; N124-A128 PolarHBondContact O-N 2.73Å |
| 125 | A | 78 | Confident | 71.2 | Confident | 61 Ų | 61 | 100.1 Ų | 100.1 | 50% | 0.504 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E121 S122 A128 F129 | E121-A125 WeakPolarHBondContact O-CB 3.27Å; E121-A125 PolarHBondContact O-N 2.66Å; S122-A125 PolarHBondContact O-N 2.98Å; A125-A128 PolarHBondContact O-N 3.14Å; A125-F129 WeakPolarHBondContact O-CB 3.39Å; A125-F129 PolarHBondContact O-N 3.32Å |
| 126 | F | 79.3 | Confident | 71.9 | Confident | 114 Ų | 114 | 99.3 Ų | 99.3 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 175.4 | -178.7 | -109.1 | 0 | 0 | 0 | 111.8 | S122 T123 A128 F129 L130 | S122-F126 WeakPolarHBondContact O-CB 3.46Å; S122-F126 PolarHBondContact O-N 3.27Å; T123-F126 PolarHBondContact O-N 3.31Å; F126-A128 PolarHBondContact O-N 3.35Å; F126-F129 WeakPolarHBondContact O-CB 3.44Å; F126-F129 PolarHBondContact O-N 2.97Å; F126-L130 HydrophobicContact CD1-CD1 3.97Å; F126-L130 HydrophobicContact CD1-CG 4.43Å; F126-L130 HydrophobicContact CE1-CD1 3.43Å; F126-L130 VanDerWaalsContact CE1-CD1 3.43Å; F126-L130 HydrophobicContact CE1-CG 4.07Å; F126-L130 HydrophobicContact CE2-CD2 4.44Å; F126-L130 HydrophobicContact CE2-CG 4.4Å; F126-L130 HydrophobicContact CZ-CD1 3.79Å; F126-L130 HydrophobicContact CZ-CD2 4.14Å; F126-L130 HydrophobicContact CZ-CG 4.05Å; F126-L130 WeakPolarHBondContact O-CG 3.34Å; F126-L130 PolarHBondContact O-N 3.24Å |
| 127 | Q | 81.8 | Confident | 72.1 | Confident | 109 Ų | 109 | 101.7 Ų | 101.7 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 175.6 | -68.4 | -67.1 | 2.2 | 0 | 0 | 112.2 | T123 N124 F129 L130 A131 | T123-Q127 VanDerWaalsContact O-CG 3.23Å; T123-Q127 WeakPolarHBondContact O-CG 3.39Å; T123-Q127 PolarHBondContact O-N 2.81Å; N124-Q127 PolarHBondContact O-N 2.99Å; Q127-F129 VanDerWaalsContact C-N 3.34Å; Q127-F129 PolarHBondContact O-N 3.29Å; Q127-L130 PolarHBondContact O-N 3.19Å; Q127-A131 WeakPolarHBondContact O-CB 3.33Å; Q127-A131 PolarHBondContact O-N 2.97Å |
| 128 | A | 82.5 | Confident | 72.1 | Confident | 58 Ų | 58 | 99.7 Ų | 99.7 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N124 A125 F126 R132 | N124-A128 VanDerWaalsContact O-CB 3.31Å; N124-A128 WeakPolarHBondContact O-CB 3.31Å; N124-A128 PolarHBondContact O-N 2.73Å; A125-A128 PolarHBondContact O-N 3.14Å; F126-A128 PolarHBondContact O-N 3.35Å; A128-R132 VanDerWaalsContact O-CB 3.26Å; A128-R132 WeakPolarHBondContact O-CB 3.31Å; A128-R132 PolarHBondContact O-N 3.31Å |
| 129 | F | 85.1 | Confident | 72.1 | Confident | 116 Ų | 116 | 96.4 Ų | 96.4 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 172.8 | 171.6 | -96.6 | 0 | 0 | 0 | 112 | A125 F126 Q127 R132 S133 | A125-F129 WeakPolarHBondContact O-CB 3.39Å; A125-F129 PolarHBondContact O-N 3.32Å; F126-F129 WeakPolarHBondContact O-CB 3.44Å; F126-F129 PolarHBondContact O-N 2.97Å; Q127-F129 VanDerWaalsContact C-N 3.34Å; Q127-F129 PolarHBondContact O-N 3.29Å; F129-R132 PolarHBondContact O-N 3.46Å; F129-S133 WeakPolarHBondContact O-CB 3.33Å; F129-S133 PolarHBondContact O-N 3.38Å; F129-S133 PolarHBondContact O-OG 3.25Å |
| 130 | L | 84.8 | Confident | 72.1 | Confident | 67 Ų | 67 | 95.8 Ų | 95.8 | 35% | 0.351 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 175.9 | -70.2 | -178.5 | 0 | 0 | 0 | 111.8 | F126 Q127 R132 S133 A134 | F126-L130 HydrophobicContact CD1-CD1 3.97Å; F126-L130 HydrophobicContact CD1-CG 4.43Å; F126-L130 HydrophobicContact CE1-CD1 3.43Å; F126-L130 VanDerWaalsContact CE1-CD1 3.43Å; F126-L130 HydrophobicContact CE1-CG 4.07Å; F126-L130 HydrophobicContact CE2-CD2 4.44Å; F126-L130 HydrophobicContact CE2-CG 4.4Å; F126-L130 HydrophobicContact CZ-CD1 3.79Å; F126-L130 HydrophobicContact CZ-CD2 4.14Å; F126-L130 HydrophobicContact CZ-CG 4.05Å; F126-L130 WeakPolarHBondContact O-CG 3.34Å; F126-L130 PolarHBondContact O-N 3.24Å; Q127-L130 PolarHBondContact O-N 3.19Å; L130-R132 VanDerWaalsContact C-N 3.31Å; L130-R132 PolarHBondContact O-N 2.82Å; L130-S133 WeakPolarHBondContact CA-OG 3.24Å; L130-S133 CarbonylContact O-C 3.6Å; L130-S133 PolarHBondContact O-N 3.46Å; L130-S133 PolarHBondContact O-OG 2.99Å; L130-A134 PolarHBondContact O-N 3.27Å |
| 131 | A | 82.1 | Confident | 71.8 | Confident | 72 Ų | 72 | 94.8 Ų | 94.8 | 60% | 0.595 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.4 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q127 A134 | Q127-A131 WeakPolarHBondContact O-CB 3.33Å; Q127-A131 PolarHBondContact O-N 2.97Å; A131-A134 WeakPolarHBondContact O-CB 3.39Å |
| 132 | R | 80.6 | Confident | 71.6 | Confident | 204 Ų | 204 | 94.6 Ų | 94.6 | 77% | 0.77 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -74.4 | -29.2 | 179.1 | -169.9 | 163.8 | 63.7 | 110.7 | -1.7 | 113.4 | A128 F129 L130 P135 | A128-R132 VanDerWaalsContact O-CB 3.26Å; A128-R132 WeakPolarHBondContact O-CB 3.31Å; A128-R132 PolarHBondContact O-N 3.31Å; F129-R132 PolarHBondContact O-N 3.46Å; L130-R132 VanDerWaalsContact C-N 3.31Å; L130-R132 PolarHBondContact O-N 2.82Å; R132-P135 WeakPolarHBondContact O-CD 3.47Å |
| 133 | S | 80.6 | Confident | 71.2 | Confident | 20 Ų | 20 | 98.4 Ų | 98.4 | 14% | 0.14 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -89.4 | -10.1 | 176.6 | 59.6 | 0 | 0 | 0 | 0 | 113.3 | F129 L130 P135 F136 | F129-S133 WeakPolarHBondContact O-CB 3.33Å; F129-S133 PolarHBondContact O-N 3.38Å; F129-S133 PolarHBondContact O-OG 3.25Å; L130-S133 WeakPolarHBondContact CA-OG 3.24Å; L130-S133 CarbonylContact O-C 3.6Å; L130-S133 PolarHBondContact O-N 3.46Å; L130-S133 PolarHBondContact O-OG 2.99Å; S133-P135 VanDerWaalsContact C-CD 3.43Å; S133-P135 VanDerWaalsContact C-N 3.35Å; S133-F136 VanDerWaalsContact O-CB 3.28Å; S133-F136 WeakPolarHBondContact O-CB 3.47Å; S133-F136 PolarHBondContact O-N 3.38Å |
| 134 | A | 70.8 | Confident | 70.7 | Confident | 37 Ų | 37 | 98.8 Ų | 98.8 | 31% | 0.306 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -49.9 | -46.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L130 A131 F136 W137 H138 | L130-A134 PolarHBondContact O-N 3.27Å; A131-A134 WeakPolarHBondContact O-CB 3.39Å; A134-F136 PolarHBondContact O-N 3.01Å; A134-W137 PolarHBondContact O-N 3.4Å; A134-H138 PolarHBondContact O-CE1 3.03Å; A134-H138 PolarHBondContact O-ND1 3.48Å |
| 135 | P | 70.8 | Confident | 69.8 | Low | 84 Ų | 84 | 103.8 Ų | 103.8 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.8 | -28.7 | 179.3 | -20.7 | 33.2 | 0 | 0 | 0 | 113.9 | R132 S133 H138 | R132-P135 WeakPolarHBondContact O-CD 3.47Å; S133-P135 VanDerWaalsContact C-CD 3.43Å; S133-P135 VanDerWaalsContact C-N 3.35Å; P135-H138 PolarHBondContact O-N 3.46Å |
| 136 | F | 69.6 | Low | 68.8 | Low | 144 Ų | 144 | 104.1 Ų | 104.1 | 63% | 0.632 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.1 | -36.2 | 179.6 | 172.7 | -98.8 | 0 | 0 | 0 | 112.1 | S133 A134 | S133-F136 VanDerWaalsContact O-CB 3.28Å; S133-F136 WeakPolarHBondContact O-CB 3.47Å; S133-F136 PolarHBondContact O-N 3.38Å; A134-F136 PolarHBondContact O-N 3.01Å |
| 137 | W | 61.7 | Low | 67.8 | Low | 149 Ų | 149 | 103.5 Ų | 103.5 | 56% | 0.564 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -76.7 | -22.9 | 179.2 | -58.3 | 108.7 | 0 | 0 | 0 | 113.8 | A134 N139 A140 T141 | A134-W137 PolarHBondContact O-N 3.4Å; W137-N139 VanDerWaalsContact C-N 3.32Å; W137-N139 PolarHBondContact O-N 3.34Å; W137-A140 PolarHBondContact O-N 2.94Å; W137-T141 PolarHBondContact O-N 3.01Å; W137-T141 PolarHBondContact O-OG1 3.16Å |
| 138 | H | 61.5 | Low | 66.8 | Low | 118 Ų | 118 | 108.6 Ų | 108.6 | 55% | 0.546 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62 | -41.2 | 176.9 | -69.7 | 78 | 0 | 0 | 0 | 110.9 | A134 P135 A140 T141 F142 | A134-H138 PolarHBondContact O-CE1 3.03Å; A134-H138 PolarHBondContact O-ND1 3.48Å; P135-H138 PolarHBondContact O-N 3.46Å; H138-A140 PolarHBondContact O-N 2.61Å; H138-T141 PolarHBondContact O-N 2.62Å; H138-F142 WeakPolarHBondContact O-CD2 3.27Å; H138-F142 PolarHBondContact O-N 3.28Å |
| 139 | N | 59.2 | Low | 65.8 | Low | 117 Ų | 117 | 110.3 Ų | 110.3 | 63% | 0.626 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.9 | -35.2 | 179.3 | -74.7 | -29.1 | 0 | 0 | 0 | 113.5 | W137 T141 F142 E143 | W137-N139 VanDerWaalsContact C-N 3.32Å; W137-N139 PolarHBondContact O-N 3.34Å; N139-T141 PolarHBondContact O-N 3.15Å; N139-F142 PolarHBondContact O-N 3.29Å; N139-E143 PolarHBondContact O-N 3.09Å |
| 140 | A | 58.1 | Low | 64.7 | Low | 59 Ų | 59 | 110.1 Ų | 110.1 | 49% | 0.488 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.2 | -30.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | W137 H138 A144 | W137-A140 PolarHBondContact O-N 2.94Å; H138-A140 PolarHBondContact O-N 2.61Å; A140-A144 PolarHBondContact O-N 3.24Å |
| 141 | T | 53.8 | Low | 63.6 | Low | 90 Ų | 90 | 113.1 Ų | 113.1 | 55% | 0.552 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -79.9 | -31.2 | -179.3 | -37.6 | 0 | 0 | 0 | 0 | 112.1 | W137 H138 N139 R145 | W137-T141 PolarHBondContact O-N 3.01Å; W137-T141 PolarHBondContact O-OG1 3.16Å; H138-T141 PolarHBondContact O-N 2.62Å; N139-T141 PolarHBondContact O-N 3.15Å; T141-R145 PolarHBondContact O-N 2.86Å |
| 142 | F | 56.4 | Low | 62.4 | Low | 150 Ų | 150 | 119.1 Ų | 119.1 | 66% | 0.658 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -72.9 | -43.6 | 175.1 | -87 | -80.1 | 0 | 0 | 0 | 112.7 | H138 N139 A144 R145 A146 | H138-F142 WeakPolarHBondContact O-CD2 3.27Å; H138-F142 PolarHBondContact O-N 3.28Å; N139-F142 PolarHBondContact O-N 3.29Å; F142-A144 VanDerWaalsContact C-N 3.31Å; F142-A144 PolarHBondContact O-N 3.42Å; F142-R145 PolarHBondContact O-N 3.31Å; F142-R145 VanDerWaalsContact O-N 3.15Å; F142-A146 WeakPolarHBondContact O-CB 3.5Å; F142-A146 PolarHBondContact O-N 3.31Å |
| 143 | E | 56.9 | Low | 61.5 | Low | 138 Ų | 138 | 114.9 Ų | 114.9 | 65% | 0.645 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -60.1 | -39.7 | 175.6 | -77.5 | -66.2 | 150.9 | 0 | 0 | 112.3 | N139 R145 A146 S147 | N139-E143 PolarHBondContact O-N 3.09Å; E143-R145 VanDerWaalsContact C-N 3.32Å; E143-R145 PolarHBondContact O-N 3.17Å; E143-A146 PolarHBondContact O-N 3.1Å; E143-S147 PolarHBondContact O-N 3.13Å; E143-S147 PolarHBondContact O-OG 3.21Å |
| 144 | A | 57 | Low | 60.5 | Low | 62 Ų | 62 | 119.8 Ų | 119.8 | 51% | 0.512 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -67.9 | -27.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A140 F142 | A140-A144 PolarHBondContact O-N 3.24Å; F142-A144 VanDerWaalsContact C-N 3.31Å; F142-A144 PolarHBondContact O-N 3.42Å |
| 145 | R | 56.2 | Low | 60 | Low | 210 Ų | 210 | 124.4 Ų | 124.4 | 79% | 0.792 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -85.7 | -33.1 | 175.2 | -92.5 | -174.4 | 166 | -161.4 | -3 | 113 | T141 F142 E143 S147 R148 | T141-R145 PolarHBondContact O-N 2.86Å; F142-R145 PolarHBondContact O-N 3.31Å; F142-R145 VanDerWaalsContact O-N 3.15Å; E143-R145 VanDerWaalsContact C-N 3.32Å; E143-R145 PolarHBondContact O-N 3.17Å; R145-S147 VanDerWaalsContact C-N 3.28Å; R145-S147 PolarHBondContact O-N 3.03Å; R145-R148 PolarHBondContact O-N 3Å |
| 146 | A | 55.9 | Low | 59.3 | Low | 69 Ų | 69 | 126.8 Ų | 126.8 | 57% | 0.57 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -67.4 | -27.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F142 E143 R148 | F142-A146 WeakPolarHBondContact O-CB 3.5Å; F142-A146 PolarHBondContact O-N 3.31Å; E143-A146 PolarHBondContact O-N 3.1Å; A146-R148 VanDerWaalsContact C-N 3.32Å; A146-R148 PolarHBondContact O-N 3.18Å |
| 147 | S | 58.2 | Low | 58.7 | Low | 100 Ų | 100 | 125.8 Ų | 125.8 | 70% | 0.699 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 0.2 | 177.1 | -65.8 | 0 | 0 | 0 | 0 | 114.7 | E143 R145 | E143-S147 PolarHBondContact O-N 3.13Å; E143-S147 PolarHBondContact O-OG 3.21Å; R145-S147 VanDerWaalsContact C-N 3.28Å; R145-S147 PolarHBondContact O-N 3.03Å |
| 148 | R | 60.8 | Low | 58.5 | Low | 216 Ų | 216 | 124.2 Ų | 124.2 | 82% | 0.815 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | 29.9 | -176.9 | -83.6 | -170.4 | 177.8 | -179.4 | 1.3 | 113.9 | R145 A146 P150 | R145-R148 PolarHBondContact O-N 3Å; A146-R148 VanDerWaalsContact C-N 3.32Å; A146-R148 PolarHBondContact O-N 3.18Å; R148-P150 WeakPolarHBondContact O-CD 3.37Å |
| 149 | S | 60.9 | Low | 58.3 | Low | 95 Ų | 95 | 124.6 Ų | 124.6 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 124.1 | 161.1 | 32.3 | 0 | 0 | 0 | 0 | 109.1 | ||
| 150 | P | 63.7 | Low | 58.2 | Low | 112 Ų | 112 | 125.2 Ų | 125.2 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 146.4 | 170.4 | 28.5 | -31.9 | 0 | 0 | 0 | 109.6 | R148 | R148-P150 WeakPolarHBondContact O-CD 3.37Š|
| 151 | P | 61.8 | Low | 58.2 | Low | 129 Ų | 129 | 130.8 Ų | 130.8 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -66 | 134.8 | 172 | 27.6 | -32.2 | 0 | 0 | 0 | 110.1 | ||
| 152 | S | 56.7 | Low | 58.6 | Low | 198 Ų | 198 | 134.5 Ų | 134.5 | 100% | 1.385 | 76% | 0.755 | S | S | * | * | trans | -64.7 | 0 | 174.8 | -67.1 | 0 | 0 | 0 | 0 | 113.5 |
Retrieved 152 of 152 residues in 172.5 ms
(Link to these results)