| 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 | 37.6 | Very low | 44.5 | Very low | 249 Ų | 249 | 116.6 Ų | 116.6 | 100% | 1.227 | 86% | 0.861 | S | S | * | * | 0 | 127.7 | 0 | -61.5 | -167.1 | 179.1 | 0 | 0 | 106.2 | |||||
| 2 | A | 39.1 | Very low | 45.3 | Very low | 100 Ų | 100 | 120.3 Ų | 120.3 | 83% | 0.826 | 85% | 0.851 | S | S | * | * | cis | -156.8 | 151.3 | -3.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 3 | S | 43.3 | Very low | 46.8 | Very low | 126 Ų | 126 | 118 Ų | 118 | 88% | 0.881 | 82% | 0.823 | S | S | * | * | trans | -66 | 144.7 | 178.7 | -50.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 4 | G | 38 | Very low | 48.3 | Very low | 86 Ų | 86 | 114.4 Ų | 114.4 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -111.5 | 109.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 5 | A | 47.1 | Very low | 49.1 | Very low | 106 Ų | 106 | 116.5 Ų | 116.5 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | trans | -109.6 | 128.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 6 | G | 38.3 | Very low | 50 | Low | 84 Ų | 84 | 115.4 Ų | 115.4 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | trans | -121.7 | 116.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 7 | D | 46.7 | Very low | 51.4 | Low | 151 Ų | 151 | 113 Ų | 113 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | trans | -121.4 | 142.7 | 171.8 | -168 | -92 | 0 | 0 | 0 | 108 | ||||
| 8 | P | 50.7 | Low | 52.7 | Low | 111 Ų | 111 | 115.2 Ų | 115.2 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | trans | -89.2 | 114.5 | -172.9 | 33.7 | -29.3 | 0 | 0 | 0 | 111.5 | G10 | P8-G10 PolarHBondContact O-N 3.1Š| ||
| 9 | S | 46.9 | Very low | 53.7 | Low | 122 Ų | 122 | 115.4 Ų | 115.4 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | trans | -77.3 | 103.7 | 174.4 | -159.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 10 | G | 53 | Low | 54.7 | Low | 75 Ų | 75 | 115.5 Ų | 115.5 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | -71.8 | 115.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | P8 | P8-G10 PolarHBondContact O-N 3.1Š| ||
| 11 | G | 49.1 | Very low | 55.7 | Low | 73 Ų | 73 | 115.5 Ų | 115.5 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | trans | -95.3 | 93.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 12 | H | 54.4 | Low | 57.4 | Low | 160 Ų | 160 | 107.5 Ų | 107.5 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | trans | -74.8 | 118.2 | 160.3 | -151.5 | 75.3 | 0 | 0 | 0 | 106 | A14 D17 | H12-A14 PolarHBondContact O-N 3.11Å; H12-D17 IonicContact CD2-OD2 3.83Å; H12-D17 PolarHBondContact CD2-OD2 3.32Å; H12-D17 IonicContact NE2-OD2 3.65Å | ||
| 13 | D | 64.8 | Low | 59 | Low | 91 Ų | 91 | 105.8 Ų | 105.8 | 49% | 0.487 | 69% | 0.689 | S | S | . | * | trans | -73.4 | 90 | -171.5 | -134.1 | -38.3 | 0 | 0 | 0 | 109 | E15 L16 | D13-E15 PolarHBondContact O-N 3.31Å; D13-L16 HydrophobicContact CB-CB 4.27Å; D13-L16 HydrophobicContact CB-CD1 3.71Å; D13-L16 HydrophobicContact CB-CG 3.94Å; D13-L16 WeakPolarHBondContact O-CB 3.43Å; D13-L16 PolarHBondContact O-N 2.72Å | ||
| 14 | A | 67.3 | Low | 60.2 | Low | 67 Ų | 67 | 105.3 Ų | 105.3 | 55% | 0.554 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -58.1 | -20.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | H12 E18 | H12-A14 PolarHBondContact O-N 3.11Å; A14-E18 PolarHBondContact O-N 3.47Å |
| 15 | E | 60.8 | Low | 61.8 | Low | 147 Ų | 147 | 107 Ų | 107 | 69% | 0.687 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -73.8 | -28.1 | 176.3 | -47.8 | -162.5 | 120 | 0 | 0 | 111.8 | D13 L19 | D13-E15 PolarHBondContact O-N 3.31Å; E15-L19 WeakPolarHBondContact O-CD1 3.3Å; E15-L19 WeakPolarHBondContact O-CG 3.44Å; E15-L19 PolarHBondContact O-N 3Å |
| 16 | L | 63.5 | Low | 62.8 | Low | 98 Ų | 98 | 107.7 Ų | 107.7 | 51% | 0.513 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -75.6 | -38.5 | 175.3 | -70.9 | 174.5 | 0 | 0 | 0 | 111.7 | D13 E18 L19 L20 | D13-L16 HydrophobicContact CB-CB 4.27Å; D13-L16 HydrophobicContact CB-CD1 3.71Å; D13-L16 HydrophobicContact CB-CG 3.94Å; D13-L16 WeakPolarHBondContact O-CB 3.43Å; D13-L16 PolarHBondContact O-N 2.72Å; L16-E18 VanDerWaalsContact C-N 3.34Å; L16-L19 PolarHBondContact O-N 3.22Å; L16-L20 VanDerWaalsContact O-CG 3.3Å; L16-L20 WeakPolarHBondContact O-CG 3.07Å; L16-L20 PolarHBondContact O-N 2.75Å |
| 17 | D | 72.8 | Confident | 64 | Low | 75 Ų | 75 | 112.1 Ų | 112.1 | 40% | 0.401 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -64.4 | -40.2 | 175.9 | -78.6 | -26.5 | 0 | 0 | 0 | 111.4 | H12 L19 L20 D21 | H12-D17 IonicContact CD2-OD2 3.83Å; H12-D17 PolarHBondContact CD2-OD2 3.32Å; H12-D17 IonicContact NE2-OD2 3.65Å; D17-L19 VanDerWaalsContact C-N 3.32Å; D17-L19 PolarHBondContact O-N 2.98Å; D17-L20 PolarHBondContact O-N 3.3Å; D17-D21 PolarHBondContact O-N 2.8Å |
| 18 | E | 75.8 | Confident | 64.8 | Low | 153 Ų | 153 | 110.6 Ų | 110.6 | 72% | 0.715 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.6 | -31.4 | 177.6 | -157.5 | 174 | 162.3 | 0 | 0 | 112.2 | A14 L16 S22 | A14-E18 PolarHBondContact O-N 3.47Å; L16-E18 VanDerWaalsContact C-N 3.34Å; E18-S22 VanDerWaalsContact O-CB 3.26Å; E18-S22 WeakPolarHBondContact O-CB 3.42Å; E18-S22 PolarHBondContact O-N 2.89Å |
| 19 | L | 72 | Confident | 65.1 | Low | 118 Ų | 118 | 112.8 Ų | 112.8 | 62% | 0.618 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73.3 | -33.4 | 173.5 | -73.1 | 169 | 0 | 0 | 0 | 112.7 | E15 L16 D17 A23 | E15-L19 WeakPolarHBondContact O-CD1 3.3Å; E15-L19 WeakPolarHBondContact O-CG 3.44Å; E15-L19 PolarHBondContact O-N 3Å; L16-L19 PolarHBondContact O-N 3.22Å; D17-L19 VanDerWaalsContact C-N 3.32Å; D17-L19 PolarHBondContact O-N 2.98Å; L19-A23 WeakPolarHBondContact O-CB 3.15Å; L19-A23 PolarHBondContact O-N 3.13Å; L19-A23 VanDerWaalsContact O-N 3.16Å |
| 20 | L | 73.6 | Confident | 65.3 | Low | 117 Ų | 117 | 111.5 Ų | 111.5 | 61% | 0.613 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.5 | -42 | 177.1 | -73 | 169.9 | 0 | 0 | 0 | 112 | L16 D17 A23 L24 | L16-L20 VanDerWaalsContact O-CG 3.3Å; L16-L20 WeakPolarHBondContact O-CG 3.07Å; L16-L20 PolarHBondContact O-N 2.75Å; D17-L20 PolarHBondContact O-N 3.3Å; L20-A23 PolarHBondContact O-N 3.19Å; L20-L24 PolarHBondContact O-N 2.74Å |
| 21 | D | 74.4 | Confident | 65.2 | Low | 116 Ų | 116 | 113 Ų | 113 | 62% | 0.62 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.9 | -40.3 | 175.9 | -95.9 | -10.4 | 0 | 0 | 0 | 111.7 | D17 A23 L24 D25 | D17-D21 PolarHBondContact O-N 2.8Å; D21-A23 VanDerWaalsContact C-N 3.31Å; D21-A23 PolarHBondContact O-N 3.44Å; D21-L24 PolarHBondContact O-N 3.44Å; D21-D25 PolarHBondContact O-N 3.45Å; D21-D25 VanDerWaalsContact O-N 3.12Å |
| 22 | S | 74.2 | Confident | 65.3 | Low | 81 Ų | 81 | 113.5 Ų | 113.5 | 57% | 0.566 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.1 | -36 | 175.1 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | E18 | E18-S22 VanDerWaalsContact O-CB 3.26Å; E18-S22 WeakPolarHBondContact O-CB 3.42Å; E18-S22 PolarHBondContact O-N 2.89Å |
| 23 | A | 73.6 | Confident | 64.6 | Low | 64 Ų | 64 | 110.4 Ų | 110.4 | 53% | 0.529 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -73.9 | -30.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L19 L20 D21 | L19-A23 WeakPolarHBondContact O-CB 3.15Å; L19-A23 PolarHBondContact O-N 3.13Å; L19-A23 VanDerWaalsContact O-N 3.16Å; L20-A23 PolarHBondContact O-N 3.19Å; D21-A23 VanDerWaalsContact C-N 3.31Å; D21-A23 PolarHBondContact O-N 3.44Å |
| 24 | L | 68.3 | Low | 63.3 | Low | 116 Ų | 116 | 111.8 Ų | 111.8 | 61% | 0.607 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -70.1 | -40.2 | 176.8 | -159.6 | 77.4 | 0 | 0 | 0 | 111.5 | L20 D21 D26 F27 | L20-L24 PolarHBondContact O-N 2.74Å; D21-L24 PolarHBondContact O-N 3.44Å; L24-D26 VanDerWaalsContact C-N 3.34Å; L24-D26 PolarHBondContact O-N 3.11Å; L24-F27 PolarHBondContact O-N 3.12Å |
| 25 | D | 69.9 | Low | 62 | Low | 121 Ų | 121 | 113 Ų | 113 | 65% | 0.647 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67.6 | -31.8 | -178.7 | -144.6 | -88.4 | 0 | 0 | 0 | 112.7 | D21 F27 K29 | D21-D25 PolarHBondContact O-N 3.45Å; D21-D25 VanDerWaalsContact O-N 3.12Å; D25-F27 VanDerWaalsContact C-N 3.32Å; D25-F27 PolarHBondContact O-N 2.93Å; D25-K29 PolarHBondContact O-N 3.35Å |
| 26 | D | 69.1 | Low | 61 | Low | 121 Ų | 121 | 112 Ų | 112 | 65% | 0.647 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.6 | -25.5 | 179 | -135.1 | -98.5 | 0 | 0 | 0 | 112.5 | L24 | L24-D26 VanDerWaalsContact C-N 3.34Å; L24-D26 PolarHBondContact O-N 3.11Å |
| 27 | F | 62.7 | Low | 59.6 | Low | 177 Ų | 177 | 116 Ų | 116 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -77.1 | -37.7 | 178.4 | -148.4 | -93.2 | 0 | 0 | 0 | 112.4 | L24 D25 K29 | L24-F27 PolarHBondContact O-N 3.12Å; D25-F27 VanDerWaalsContact C-N 3.32Å; D25-F27 PolarHBondContact O-N 2.93Å; F27-K29 VanDerWaalsContact C-N 3.31Å |
| 28 | D | 63.7 | Low | 58.5 | Low | 120 Ų | 120 | 117.5 Ų | 117.5 | 64% | 0.642 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -69.9 | -29.6 | 174.6 | -98.5 | -71.2 | 0 | 0 | 0 | 112.3 | A30 S31 | D28-A30 VanDerWaalsContact C-N 3.28Å; D28-A30 PolarHBondContact O-N 3.2Å; D28-S31 PolarHBondContact O-N 3.42Å; D28-S31 VanDerWaalsContact O-N 3.09Å |
| 29 | K | 57.9 | Low | 56.3 | Low | 157 Ų | 157 | 114.8 Ų | 114.8 | 68% | 0.683 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -70 | -21.1 | -179.4 | -164.7 | 161 | -174.8 | 176.2 | 0 | 114.3 | D25 F27 S31 | D25-K29 PolarHBondContact O-N 3.35Å; F27-K29 VanDerWaalsContact C-N 3.31Å; K29-S31 PolarHBondContact O-N 3.07Å |
| 30 | A | 50.2 | Low | 54.4 | Low | 94 Ų | 94 | 114 Ų | 114 | 78% | 0.777 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -16.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D28 | D28-A30 VanDerWaalsContact C-N 3.28Å; D28-A30 PolarHBondContact O-N 3.2Å |
| 31 | S | 51.8 | Low | 52.4 | Low | 107 Ų | 107 | 112.9 Ų | 112.9 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -4.2 | -176 | -168.8 | 0 | 0 | 0 | 0 | 114.7 | D28 K29 | D28-S31 PolarHBondContact O-N 3.42Å; D28-S31 VanDerWaalsContact O-N 3.09Å; K29-S31 PolarHBondContact O-N 3.07Å |
| 32 | A | 51 | Low | 50.4 | Low | 83 Ų | 83 | 112.9 Ų | 112.9 | 69% | 0.686 | 73% | 0.728 | S | S | * | * | trans | -137.4 | 69 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 33 | A | 38.8 | Very low | 48.2 | Very low | 95 Ų | 95 | 114.5 Ų | 114.5 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | -167.1 | 121.6 | 152.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 34 | S | 37.1 | Very low | 46 | Very low | 121 Ų | 121 | 117 Ų | 117 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | cis | -156.9 | 150.7 | 28 | -65.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 35 | A | 41.3 | Very low | 44 | Very low | 91 Ų | 91 | 116 Ų | 116 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | -86 | -170.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 36 | P | 39.4 | Very low | 42.3 | Very low | 127 Ų | 127 | 115.6 Ų | 115.6 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | cis | -137.3 | -178 | -8.9 | 36 | -13.3 | 0 | 0 | 0 | 115.9 | ||||
| 37 | E | 33 | Very low | 40.4 | Very low | 181 Ų | 181 | 115.8 Ų | 115.8 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -88.5 | -179.6 | 169.5 | -121.4 | -171.1 | 96.2 | 0 | 0 | 112.3 | ||||
| 38 | P | 50.1 | Low | 38.8 | Very low | 108 Ų | 108 | 110.8 Ų | 110.8 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | cis | -140.7 | -177.5 | -1.1 | 37.6 | -15 | 0 | 0 | 0 | 117.8 | ||||
| 39 | A | 31.1 | Very low | 37.8 | Very low | 95 Ų | 95 | 109.8 Ų | 109.8 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | 110.8 | 109.3 | 147.9 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 40 | A | 31 | Very low | 36.4 | Very low | 101 Ų | 101 | 111.8 Ų | 111.8 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | 69.8 | 106.6 | 135.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 41 | A | 31.5 | Very low | 35.6 | Very low | 94 Ų | 94 | 116.6 Ų | 116.6 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | 142.7 | 109.9 | 106.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 42 | S | 33.6 | Very low | 34.8 | Very low | 117 Ų | 117 | 117.1 Ų | 117.1 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | 61.3 | 115.6 | 141.5 | -60.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 43 | S | 27.8 | Very low | 34.2 | Very low | 114 Ų | 114 | 119.4 Ų | 119.4 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | 176.7 | 139.7 | 85.5 | 42.5 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 44 | S | 27.2 | Very low | 33.9 | Very low | 117 Ų | 117 | 122.5 Ų | 122.5 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | 70.6 | 106.8 | 148.5 | -66.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 45 | A | 26.8 | Very low | 34.2 | Very low | 95 Ų | 95 | 124.5 Ų | 124.5 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | 88.3 | 118 | 118.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 46 | S | 32.3 | Very low | 34.2 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | 69.1 | 107.9 | 147.8 | -176.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 47 | S | 29.4 | Very low | 34.2 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -157.2 | 110.1 | 143.4 | -77.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 48 | G | 30.2 | Very low | 34.7 | Very low | 72 Ų | 72 | 123.8 Ų | 123.8 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | -90.9 | 145.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 49 | A | 42.5 | Very low | 34.4 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 58.6 | 103.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 50 | E | 28.3 | Very low | 35.2 | Very low | 199 Ų | 199 | 127 Ų | 127 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | trans | -141.3 | 124.2 | 149.9 | -68.9 | -158.9 | 107.6 | 0 | 0 | 111.8 | ||||
| 51 | K | 34.1 | Very low | 35.8 | Very low | 194 Ų | 194 | 129.3 Ų | 129.3 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -70.4 | 149 | 162.8 | -92.9 | 169.6 | 166.2 | 168.7 | 0 | 108.9 | ||||
| 52 | P | 34.3 | Very low | 36.3 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -69.7 | 137.2 | 168.5 | 28.4 | -30.8 | 0 | 0 | 0 | 110.9 | ||||
| 53 | P | 37.7 | Very low | 36.9 | Very low | 130 Ų | 130 | 130 Ų | 130 | 84% | 0.844 | 76% | 0.76 | S | S | * | * | trans | -85.6 | 115.4 | 173.1 | 32.7 | -27.3 | 0 | 0 | 0 | 109.2 | ||||
| 54 | L | 33.8 | Very low | 37.9 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | trans | -118.7 | 60.6 | 172.5 | -153.1 | 170.6 | 0 | 0 | 0 | 108.2 | ||||
| 55 | L | 43.6 | Very low | 39.1 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 86% | 0.859 | 74% | 0.743 | S | S | * | * | trans | -144.2 | 75.3 | 176.4 | -72.4 | 179.3 | 0 | 0 | 0 | 109.6 | ||||
| 56 | E | 40.7 | Very low | 40.2 | Very low | 167 Ų | 167 | 134 Ų | 134 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | trans | -147.5 | 44.4 | 170.6 | -122.9 | 165.3 | -163 | 0 | 0 | 112.7 | ||||
| 57 | D | 40.1 | Very low | 41.1 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 67% | 0.674 | 72% | 0.724 | S | S | * | * | trans | -129.4 | 16 | 171.6 | -93.8 | -62.6 | 0 | 0 | 0 | 114 | ||||
| 58 | S | 41.9 | Very low | 42.2 | Very low | 90 Ų | 90 | 132.3 Ų | 132.3 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -80.2 | -17.6 | 171.8 | -66.9 | 0 | 0 | 0 | 0 | 113.9 | E62 | S58-E62 PolarHBondContact O-N 2.92Å |
| 59 | K | 45.2 | Very low | 43.3 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 63% | 0.626 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -86.5 | -18.6 | -173.6 | -60.5 | -178.7 | -172.5 | 171.2 | 0 | 113.8 | T63 | K59-T63 PolarHBondContact O-N 3.15Å; K59-T63 PolarHBondContact O-OG1 3.19Å |
| 60 | L | 47.9 | Very low | 43.8 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 67% | 0.67 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -77.6 | -35 | 175.6 | -112 | 169.5 | 0 | 0 | 0 | 111.7 | ||
| 61 | F | 43.3 | Very low | 45 | Very low | 148 Ų | 148 | 126 Ų | 126 | 65% | 0.649 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -75.2 | -40.6 | 176.5 | -169 | -98.9 | 0 | 0 | 0 | 112.4 | L64 F65 | F61-L64 PolarHBondContact O-N 2.85Å; F61-F65 HydrophobicContact CZ-CD2 4.47Å; F61-F65 HydrophobicContact CZ-CE2 4.49Å; F61-F65 PolarHBondContact O-N 3.23Å |
| 62 | E | 41.8 | Very low | 46 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 53% | 0.528 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -61 | -45 | 174.8 | -86.5 | 178.2 | 151.7 | 0 | 0 | 111.9 | S58 L64 F65 E66 | S58-E62 PolarHBondContact O-N 2.92Å; E62-L64 VanDerWaalsContact C-N 3.25Å; E62-L64 PolarHBondContact O-N 3.34Å; E62-F65 PolarHBondContact O-N 2.77Å; E62-F65 VanDerWaalsContact O-N 3.14Å; E62-E66 PolarHBondContact O-N 3.37Å |
| 63 | T | 45.9 | Very low | 46.9 | Very low | 113 Ų | 113 | 118.6 Ų | 118.6 | 69% | 0.693 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67 | -23.9 | -177.5 | -51.6 | 0 | 0 | 0 | 0 | 113.5 | K59 | K59-T63 PolarHBondContact O-N 3.15Å; K59-T63 PolarHBondContact O-OG1 3.19Å |
| 64 | L | 48.6 | Very low | 47.7 | Very low | 153 Ų | 153 | 121.4 Ų | 121.4 | 80% | 0.801 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -84.3 | -20.2 | 178.5 | -149.9 | 75.9 | 0 | 0 | 0 | 112.8 | F61 E62 | F61-L64 PolarHBondContact O-N 2.85Å; E62-L64 VanDerWaalsContact C-N 3.25Å; E62-L64 PolarHBondContact O-N 3.34Å |
| 65 | F | 51.9 | Low | 48.8 | Very low | 104 Ų | 104 | 120.5 Ų | 120.5 | 46% | 0.456 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -104.8 | -7.7 | 179.6 | -107.6 | -104.4 | 0 | 0 | 0 | 113.1 | F61 E62 G67 A70 | F61-F65 HydrophobicContact CZ-CD2 4.47Å; F61-F65 HydrophobicContact CZ-CE2 4.49Å; F61-F65 PolarHBondContact O-N 3.23Å; E62-F65 PolarHBondContact O-N 2.77Å; E62-F65 VanDerWaalsContact O-N 3.14Å; F65-G67 VanDerWaalsContact C-N 3.33Å; F65-G67 PolarHBondContact O-N 3.05Å; F65-A70 HydrophobicContact CB-CB 4.27Å; F65-A70 HydrophobicContact CD1-CB 3.45Å; F65-A70 VanDerWaalsContact CD1-CB 3.45Å; F65-A70 HydrophobicContact CE1-CB 4.07Å; F65-A70 HydrophobicContact CG-CB 4.13Å; F65-A70 WeakPolarHBondContact O-CB 3.33Å |
| 66 | E | 51.8 | Low | 49.4 | Very low | 152 Ų | 152 | 118.9 Ų | 118.9 | 71% | 0.71 | 61% | 0.611 | S | S | * | * | trans | -85 | 71.7 | 176.3 | -120.7 | 96 | -141.8 | 0 | 0 | 112 | E62 | E62-E66 PolarHBondContact O-N 3.37Š| ||
| 67 | G | 51.2 | Low | 50.1 | Low | 45 Ų | 45 | 117.6 Ų | 117.6 | 46% | 0.464 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -154.2 | 157.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | F65 M69 A70 | F65-G67 VanDerWaalsContact C-N 3.33Å; F65-G67 PolarHBondContact O-N 3.05Å; G67-M69 PolarHBondContact O-N 2.92Å; G67-A70 PolarHBondContact O-N 2.97Å |
| 68 | D | 52.4 | Low | 50.8 | Low | 158 Ų | 158 | 118 Ų | 118 | 85% | 0.845 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -45.4 | -19.4 | -179.8 | -91 | -64.5 | 0 | 0 | 0 | 114.9 | ||
| 69 | M | 52.4 | Low | 51.9 | Low | 159 Ų | 159 | 119.9 Ų | 119.9 | 78% | 0.783 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -72.4 | -29.3 | 175.1 | -163.3 | 170.6 | -167.5 | 0 | 0 | 114.8 | G67 Q72 A73 | G67-M69 PolarHBondContact O-N 2.92Å; M69-Q72 PolarHBondContact O-N 2.96Å; M69-A73 WeakPolarHBondContact O-CB 3.47Å; M69-A73 PolarHBondContact O-N 2.85Å |
| 70 | A | 52.4 | Low | 52.3 | Low | 15 Ų | 15 | 115.1 Ų | 115.1 | 12% | 0.124 | 59% | 0.585 | C | S | . | * | H | α-helix | trans | -79.3 | -29.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F65 G67 Q72 A73 R74 | F65-A70 HydrophobicContact CB-CB 4.27Å; F65-A70 HydrophobicContact CD1-CB 3.45Å; F65-A70 VanDerWaalsContact CD1-CB 3.45Å; F65-A70 HydrophobicContact CE1-CB 4.07Å; F65-A70 HydrophobicContact CG-CB 4.13Å; F65-A70 WeakPolarHBondContact O-CB 3.33Å; G67-A70 PolarHBondContact O-N 2.97Å; A70-Q72 VanDerWaalsContact C-N 3.31Å; A70-A73 PolarHBondContact O-N 3.07Å; A70-R74 VanDerWaalsContact O-CB 3.31Å; A70-R74 WeakPolarHBondContact O-CB 3.33Å; A70-R74 PolarHBondContact O-N 3.31Å |
| 71 | A | 53.3 | Low | 52.4 | Low | 63 Ų | 63 | 114.6 Ų | 114.6 | 52% | 0.521 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.3 | -42.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110 | R74 E75 | A71-R74 PolarHBondContact O-N 3.02Å; A71-E75 WeakPolarHBondContact O-CB 3.47Å; A71-E75 PolarHBondContact O-N 3.02Å |
| 72 | Q | 55.4 | Low | 53.2 | Low | 118 Ų | 118 | 110.5 Ų | 110.5 | 55% | 0.551 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.4 | -45.6 | 173.6 | -118.4 | -176.7 | -47.2 | 0 | 0 | 112.4 | M69 A70 R74 E75 E76 | M69-Q72 PolarHBondContact O-N 2.96Å; A70-Q72 VanDerWaalsContact C-N 3.31Å; Q72-R74 VanDerWaalsContact C-N 3.35Å; Q72-R74 PolarHBondContact O-N 3.06Å; Q72-E75 PolarHBondContact O-N 3.31Å; Q72-E76 WeakPolarHBondContact O-CB 3.05Å; Q72-E76 WeakPolarHBondContact O-CG 3.28Å; Q72-E76 PolarHBondContact O-N 3.16Å |
| 73 | A | 54.2 | Low | 53.8 | Low | 41 Ų | 41 | 109.5 Ų | 109.5 | 34% | 0.339 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.9 | -35.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | M69 A70 F77 | M69-A73 WeakPolarHBondContact O-CB 3.47Å; M69-A73 PolarHBondContact O-N 2.85Å; A70-A73 PolarHBondContact O-N 3.07Å; A73-F77 WeakPolarHBondContact O-CB 3.23Å; A73-F77 PolarHBondContact O-N 3.13Å |
| 74 | R | 53.9 | Low | 54 | Low | 189 Ų | 189 | 108.2 Ų | 108.2 | 71% | 0.713 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.6 | -41.4 | 173 | -99.3 | -178.4 | 151.1 | -173 | -4.7 | 112.3 | A70 A71 Q72 E76 F77 E78 | A70-R74 VanDerWaalsContact O-CB 3.31Å; A70-R74 WeakPolarHBondContact O-CB 3.33Å; A70-R74 PolarHBondContact O-N 3.31Å; A71-R74 PolarHBondContact O-N 3.02Å; Q72-R74 VanDerWaalsContact C-N 3.35Å; Q72-R74 PolarHBondContact O-N 3.06Å; R74-E76 VanDerWaalsContact C-N 3.35Å; R74-F77 PolarHBondContact O-N 3.25Å; R74-E78 WeakPolarHBondContact O-CB 3.22Å; R74-E78 PolarHBondContact O-N 3.47Å |
| 75 | E | 57.9 | Low | 54.2 | Low | 141 Ų | 141 | 103.5 Ų | 103.5 | 66% | 0.659 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.6 | -39.5 | 177.7 | -169.8 | 176.3 | -179.8 | 0 | 0 | 110.9 | A71 Q72 K79 | A71-E75 WeakPolarHBondContact O-CB 3.47Å; A71-E75 PolarHBondContact O-N 3.02Å; Q72-E75 PolarHBondContact O-N 3.31Å; E75-K79 WeakPolarHBondContact O-CB 3.49Å; E75-K79 PolarHBondContact O-N 2.99Å |
| 76 | E | 54.6 | Low | 54.3 | Low | 130 Ų | 130 | 106.2 Ų | 106.2 | 61% | 0.607 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.9 | -40.5 | 172.9 | -74.8 | 178.7 | -178.7 | 0 | 0 | 112.3 | Q72 R74 A80 | Q72-E76 WeakPolarHBondContact O-CB 3.05Å; Q72-E76 WeakPolarHBondContact O-CG 3.28Å; Q72-E76 PolarHBondContact O-N 3.16Å; R74-E76 VanDerWaalsContact C-N 3.35Å; E76-A80 WeakPolarHBondContact O-CB 3.45Å; E76-A80 PolarHBondContact O-N 2.83Å |
| 77 | F | 56.8 | Low | 54.4 | Low | 139 Ų | 139 | 103.2 Ų | 103.2 | 61% | 0.61 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.3 | -41.7 | 175.9 | -176.4 | -95.1 | 0 | 0 | 0 | 112.6 | A73 R74 A80 M81 | A73-F77 WeakPolarHBondContact O-CB 3.23Å; A73-F77 PolarHBondContact O-N 3.13Å; R74-F77 PolarHBondContact O-N 3.25Å; F77-A80 PolarHBondContact O-N 3.24Å; F77-M81 HydrophobicContact CE1-SD 4.1Å; F77-M81 WeakPolarHBondContact O-CB 3.36Å; F77-M81 PolarHBondContact O-N 3.43Å |
| 78 | E | 53.7 | Low | 54.5 | Low | 134 Ų | 134 | 104.7 Ų | 104.7 | 63% | 0.626 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.4 | -35.8 | 177.6 | -174.7 | 175.3 | 179.8 | 0 | 0 | 111.4 | R74 S82 | R74-E78 WeakPolarHBondContact O-CB 3.22Å; R74-E78 PolarHBondContact O-N 3.47Å; E78-S82 VanDerWaalsContact O-CB 3.23Å; E78-S82 WeakPolarHBondContact O-CB 3.43Å; E78-S82 PolarHBondContact O-N 3.39Å; E78-S82 PolarHBondContact O-OG 2.82Å |
| 79 | K | 64.7 | Low | 54.5 | Low | 131 Ų | 131 | 100.5 Ų | 100.5 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.7 | -44.5 | 172 | -173.6 | -178.9 | 176 | -171.1 | 0 | 111.6 | E75 M81 S82 E83 | E75-K79 WeakPolarHBondContact O-CB 3.49Å; E75-K79 PolarHBondContact O-N 2.99Å; K79-M81 VanDerWaalsContact C-N 3.33Å; K79-M81 PolarHBondContact O-N 2.93Å; K79-S82 PolarHBondContact O-N 2.79Å; K79-E83 WeakPolarHBondContact O-CB 3.31Å; K79-E83 PolarHBondContact O-N 3.48Å |
| 80 | A | 54.3 | Low | 54.4 | Low | 43 Ų | 43 | 99.1 Ų | 99.1 | 36% | 0.355 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E76 F77 L84 | E76-A80 WeakPolarHBondContact O-CB 3.45Å; E76-A80 PolarHBondContact O-N 2.83Å; F77-A80 PolarHBondContact O-N 3.24Å; A80-L84 WeakPolarHBondContact O-CB 3.34Å; A80-L84 PolarHBondContact O-N 2.82Å |
| 81 | M | 49.1 | Very low | 54.5 | Low | 117 Ų | 117 | 101.3 Ų | 101.3 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.4 | -32.5 | 176.6 | -165.3 | 178.5 | -141.7 | 0 | 0 | 112.1 | F77 K79 A85 | F77-M81 HydrophobicContact CE1-SD 4.1Å; F77-M81 WeakPolarHBondContact O-CB 3.36Å; F77-M81 PolarHBondContact O-N 3.43Å; K79-M81 VanDerWaalsContact C-N 3.33Å; K79-M81 PolarHBondContact O-N 2.93Å; M81-A85 WeakPolarHBondContact O-CB 3.17Å; M81-A85 PolarHBondContact O-N 2.94Å |
| 82 | S | 60 | Low | 54.7 | Low | 63 Ų | 63 | 103 Ų | 103 | 44% | 0.441 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -77 | -38.9 | 175 | -65.4 | 0 | 0 | 0 | 0 | 112.8 | E78 K79 A85 Q86 | E78-S82 VanDerWaalsContact O-CB 3.23Å; E78-S82 WeakPolarHBondContact O-CB 3.43Å; E78-S82 PolarHBondContact O-N 3.39Å; E78-S82 PolarHBondContact O-OG 2.82Å; K79-S82 PolarHBondContact O-N 2.79Å; S82-A85 PolarHBondContact O-N 3.37Å; S82-Q86 WeakPolarHBondContact O-CB 3.23Å; S82-Q86 PolarHBondContact O-N 2.83Å |
| 83 | E | 55.7 | Low | 54.9 | Low | 92 Ų | 92 | 102.3 Ų | 102.3 | 43% | 0.43 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 170 | -90.9 | 175.3 | 156 | 0 | 0 | 110.2 | K79 A85 Q86 E87 | K79-E83 WeakPolarHBondContact O-CB 3.31Å; K79-E83 PolarHBondContact O-N 3.48Å; E83-A85 PolarHBondContact O-N 3.4Å; E83-Q86 PolarHBondContact O-N 2.87Å; E83-E87 WeakPolarHBondContact O-CB 3.44Å; E83-E87 PolarHBondContact O-N 3.39Å |
| 84 | L | 49.6 | Very low | 55.2 | Low | 85 Ų | 85 | 102 Ų | 102 | 45% | 0.445 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 175 | -161.3 | 84.1 | 0 | 0 | 0 | 111.5 | A80 Q86 E88 | A80-L84 WeakPolarHBondContact O-CB 3.34Å; A80-L84 PolarHBondContact O-N 2.82Å; L84-Q86 VanDerWaalsContact C-N 3.33Å; L84-Q86 PolarHBondContact O-N 3.41Å; L84-E88 WeakPolarHBondContact O-CA 3.3Å; L84-E88 WeakPolarHBondContact O-CB 3.29Å; L84-E88 WeakPolarHBondContact O-CG 3.26Å; L84-E88 PolarHBondContact O-N 3.07Å |
| 85 | A | 53.1 | Low | 55.4 | Low | 54 Ų | 54 | 99.5 Ų | 99.5 | 45% | 0.446 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68 | -31 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M81 S82 E83 | M81-A85 WeakPolarHBondContact O-CB 3.17Å; M81-A85 PolarHBondContact O-N 2.94Å; S82-A85 PolarHBondContact O-N 3.37Å; E83-A85 PolarHBondContact O-N 3.4Å |
| 86 | Q | 54.5 | Low | 55.4 | Low | 161 Ų | 161 | 99.1 Ų | 99.1 | 75% | 0.752 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -80.7 | -33.6 | 179.9 | -159.8 | 170.1 | -3.5 | 0 | 0 | 111.7 | S82 E83 L84 | S82-Q86 WeakPolarHBondContact O-CB 3.23Å; S82-Q86 PolarHBondContact O-N 2.83Å; E83-Q86 PolarHBondContact O-N 2.87Å; L84-Q86 VanDerWaalsContact C-N 3.33Å; L84-Q86 PolarHBondContact O-N 3.41Å |
| 87 | E | 52.9 | Low | 55.7 | Low | 90 Ų | 90 | 98.4 Ų | 98.4 | 42% | 0.421 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -80.8 | -24.3 | 168.3 | -76.3 | 179.8 | 103.9 | 0 | 0 | 112.9 | E83 S89 E90 L91 N129 | E83-E87 WeakPolarHBondContact O-CB 3.44Å; E83-E87 PolarHBondContact O-N 3.39Å; E87-S89 PolarHBondContact O-N 3.46Å; E87-E90 PolarHBondContact O-N 3.31Å; E87-L91 PolarHBondContact O-N 2.92Å; E87-L91 VanDerWaalsContact O-N 3.11Å; E87-N129 VanDerWaalsContact CD-ND2 3.32Å; E87-N129 PolarHBondContact OE1-ND2 2.91Å; E87-N129 VanDerWaalsContact OE1-ND2 3.09Å |
| 88 | E | 54.1 | Low | 55.9 | Low | 76 Ų | 76 | 93.1 Ų | 93.1 | 36% | 0.355 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65 | -24.4 | 176.1 | -105 | -168.2 | 118.5 | 0 | 0 | 112 | L84 E90 L91 L92 | L84-E88 WeakPolarHBondContact O-CA 3.3Å; L84-E88 WeakPolarHBondContact O-CB 3.29Å; L84-E88 WeakPolarHBondContact O-CG 3.26Å; L84-E88 PolarHBondContact O-N 3.07Å; E88-E90 PolarHBondContact O-N 2.95Å; E88-L91 PolarHBondContact O-N 3.2Å; E88-L92 HydrophobicContact CB-CD1 4.17Å; E88-L92 HydrophobicContact CB-CG 4.48Å; E88-L92 WeakPolarHBondContact O-CA 3.39Å; E88-L92 WeakPolarHBondContact O-CB 3.38Å; E88-L92 WeakPolarHBondContact O-CD1 3.47Å; E88-L92 WeakPolarHBondContact O-CG 3.44Å; E88-L92 PolarHBondContact O-N 3.21Å |
| 89 | S | 51.9 | Low | 56 | Low | 70 Ų | 70 | 89.5 Ų | 89.5 | 49% | 0.49 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.1 | -36.4 | 175.9 | -166.9 | 0 | 0 | 0 | 0 | 111.5 | E87 Q93 | E87-S89 PolarHBondContact O-N 3.46Å; S89-Q93 WeakPolarHBondContact O-CB 3.05Å; S89-Q93 WeakPolarHBondContact O-CG 3.5Å; S89-Q93 PolarHBondContact O-N 2.89Å |
| 90 | E | 50.1 | Low | 55.5 | Low | 130 Ų | 130 | 88.3 Ų | 88.3 | 61% | 0.607 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -79.8 | -41.9 | 174.2 | -68.9 | -168.9 | 147.2 | 0 | 0 | 111.2 | E87 E88 L92 Q93 H94 | E87-E90 PolarHBondContact O-N 3.31Å; E88-E90 PolarHBondContact O-N 2.95Å; E90-L92 PolarHBondContact O-N 3.33Å; E90-Q93 CarbonylContact O-C 3.38Å; E90-Q93 WeakPolarHBondContact O-CA 3.16Å; E90-Q93 WeakPolarHBondContact O-CB 3.43Å; E90-Q93 PolarHBondContact O-N 2.99Å; E90-Q93 VanDerWaalsContact O-N 3.14Å; E90-H94 PolarHBondContact O-CD2 3.38Å; E90-H94 PolarHBondContact O-N 3.18Å |
| 91 | L | 54.7 | Low | 55.6 | Low | 60 Ų | 60 | 87.2 Ų | 87.2 | 31% | 0.314 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 177.4 | -171.4 | 70.3 | 0 | 0 | 0 | 112.5 | E87 E88 Q93 H94 F95 L126 | E87-L91 PolarHBondContact O-N 2.92Å; E87-L91 VanDerWaalsContact O-N 3.11Å; E88-L91 PolarHBondContact O-N 3.2Å; L91-Q93 VanDerWaalsContact C-N 3.31Å; L91-Q93 PolarHBondContact O-N 3.42Å; L91-H94 CarbonylContact O-C 3.55Å; L91-H94 PolarHBondContact O-N 2.86Å; L91-F95 WeakPolarHBondContact O-CB 3.39Å; L91-F95 PolarHBondContact O-N 3.29Å; L91-L126 HydrophobicContact CD1-CD1 4.26Å |
| 92 | L | 57.1 | Low | 55.8 | Low | 98 Ų | 98 | 83.8 Ų | 83.8 | 51% | 0.513 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.8 | -35.7 | 173.3 | -72.8 | 165.1 | 0 | 0 | 0 | 110.9 | E88 E90 H96 | E88-L92 HydrophobicContact CB-CD1 4.17Å; E88-L92 HydrophobicContact CB-CG 4.48Å; E88-L92 WeakPolarHBondContact O-CA 3.39Å; E88-L92 WeakPolarHBondContact O-CB 3.38Å; E88-L92 WeakPolarHBondContact O-CD1 3.47Å; E88-L92 WeakPolarHBondContact O-CG 3.44Å; E88-L92 PolarHBondContact O-N 3.21Å; E90-L92 PolarHBondContact O-N 3.33Å; L92-H96 WeakPolarHBondContact O-CB 3.41Å; L92-H96 PolarHBondContact O-N 3.42Å |
| 93 | Q | 59.8 | Low | 55.3 | Low | 104 Ų | 104 | 84.2 Ų | 84.2 | 49% | 0.486 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 171.7 | -83.5 | -178.1 | 16.5 | 0 | 0 | 112.3 | S89 E90 L91 H96 K97 | S89-Q93 WeakPolarHBondContact O-CB 3.05Å; S89-Q93 WeakPolarHBondContact O-CG 3.5Å; S89-Q93 PolarHBondContact O-N 2.89Å; E90-Q93 CarbonylContact O-C 3.38Å; E90-Q93 WeakPolarHBondContact O-CA 3.16Å; E90-Q93 WeakPolarHBondContact O-CB 3.43Å; E90-Q93 PolarHBondContact O-N 2.99Å; E90-Q93 VanDerWaalsContact O-N 3.14Å; L91-Q93 VanDerWaalsContact C-N 3.31Å; L91-Q93 PolarHBondContact O-N 3.42Å; Q93-H96 PolarHBondContact O-N 2.9Å; Q93-K97 VanDerWaalsContact O-CB 3.3Å; Q93-K97 WeakPolarHBondContact O-CB 3.45Å; Q93-K97 VanDerWaalsContact O-CG 3.26Å; Q93-K97 WeakPolarHBondContact O-CG 3.3Å; Q93-K97 PolarHBondContact O-N 2.97Å |
| 94 | H | 59.9 | Low | 55.1 | Low | 34 Ų | 34 | 86.4 Ų | 86.4 | 16% | 0.157 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -67.6 | -38.2 | 175.5 | -76.3 | -65.7 | 0 | 0 | 0 | 111.6 | E90 L91 L98 E121 T122 | E90-H94 PolarHBondContact O-CD2 3.38Å; E90-H94 PolarHBondContact O-N 3.18Å; L91-H94 CarbonylContact O-C 3.55Å; L91-H94 PolarHBondContact O-N 2.86Å; H94-L98 WeakPolarHBondContact O-CB 3.43Å; H94-L98 PolarHBondContact O-N 3.01Å; H94-E121 IonicContact CE1-OE1 2.63Å; H94-T122 HydrophobicContact CB-CG2 4.18Å; H94-T122 PolarHBondContact O-OG1 3.24Å |
| 95 | F | 59.3 | Low | 55 | Low | 138 Ų | 138 | 84.2 Ų | 84.2 | 61% | 0.605 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -68.2 | -40.5 | 173.8 | -168 | -98.6 | 0 | 0 | 0 | 111.8 | L91 L98 S99 | L91-F95 WeakPolarHBondContact O-CB 3.39Å; L91-F95 PolarHBondContact O-N 3.29Å; F95-L98 PolarHBondContact O-N 2.82Å; F95-S99 VanDerWaalsContact O-CB 3.29Å; F95-S99 WeakPolarHBondContact O-CB 3.2Å; F95-S99 PolarHBondContact O-N 2.84Å |
| 96 | H | 57.4 | Low | 55 | Low | 132 Ų | 132 | 83.2 Ų | 83.2 | 61% | 0.611 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -68.2 | -40.4 | 176 | -158 | 70.6 | 0 | 0 | 0 | 111.8 | L92 Q93 S99 E100 | L92-H96 WeakPolarHBondContact O-CB 3.41Å; L92-H96 PolarHBondContact O-N 3.42Å; Q93-H96 PolarHBondContact O-N 2.9Å; H96-S99 PolarHBondContact O-N 3.11Å; H96-E100 WeakPolarHBondContact O-CB 3.09Å; H96-E100 PolarHBondContact O-N 3.22Å |
| 97 | K | 61.6 | Low | 54.7 | Low | 115 Ų | 115 | 82.2 Ų | 82.2 | 50% | 0.5 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 172.4 | -77.9 | 174.6 | -179.6 | 172 | 0 | 112.1 | Q93 E100 A101 | Q93-K97 VanDerWaalsContact O-CB 3.3Å; Q93-K97 WeakPolarHBondContact O-CB 3.45Å; Q93-K97 VanDerWaalsContact O-CG 3.26Å; Q93-K97 WeakPolarHBondContact O-CG 3.3Å; Q93-K97 PolarHBondContact O-N 2.97Å; K97-E100 PolarHBondContact O-N 3.45Å; K97-A101 VanDerWaalsContact O-CB 3.23Å; K97-A101 WeakPolarHBondContact O-CB 3.35Å; K97-A101 PolarHBondContact O-N 2.88Å |
| 98 | L | 60.1 | Low | 54.6 | Low | 28 Ų | 28 | 82.5 Ų | 82.5 | 15% | 0.147 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 175.1 | -179.5 | 62.3 | 0 | 0 | 0 | 110.9 | H94 F95 A101 A102 F115 L119 T122 | H94-L98 WeakPolarHBondContact O-CB 3.43Å; H94-L98 PolarHBondContact O-N 3.01Å; F95-L98 PolarHBondContact O-N 2.82Å; L98-A101 PolarHBondContact O-N 3.48Å; L98-A102 WeakPolarHBondContact O-CB 3.39Å; L98-A102 PolarHBondContact O-N 2.94Å; L98-F115 HydrophobicContact CD1-CD2 3.88Å; L98-F115 HydrophobicContact CD1-CE2 3.51Å; L98-F115 HydrophobicContact CD1-CZ 4.32Å; L98-F115 HydrophobicContact CG-CE2 4.39Å; L98-L119 HydrophobicContact CD1-CB 3.74Å; L98-L119 HydrophobicContact CD1-CD1 4.13Å; L98-L119 HydrophobicContact CD1-CG 4.38Å; L98-T122 HydrophobicContact CD2-CG2 4.06Å |
| 99 | S | 55.4 | Low | 54.5 | Low | 59 Ų | 59 | 83.6 Ų | 83.6 | 41% | 0.413 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 174.2 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | F95 H96 A102 G103 | F95-S99 VanDerWaalsContact O-CB 3.29Å; F95-S99 WeakPolarHBondContact O-CB 3.2Å; F95-S99 PolarHBondContact O-N 2.84Å; H96-S99 PolarHBondContact O-N 3.11Å; S99-A102 PolarHBondContact O-N 3.38Å; S99-G103 PolarHBondContact O-N 3.44Å |
| 100 | E | 55.4 | Low | 54.8 | Low | 106 Ų | 106 | 82.9 Ų | 82.9 | 50% | 0.495 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.2 | -40.1 | 175.8 | -163.1 | -169.4 | 115.7 | 0 | 0 | 112.6 | H96 K97 G103 K104 | H96-E100 WeakPolarHBondContact O-CB 3.09Å; H96-E100 PolarHBondContact O-N 3.22Å; K97-E100 PolarHBondContact O-N 3.45Å; E100-G103 PolarHBondContact O-N 3.05Å; E100-K104 WeakPolarHBondContact O-CG 3.39Å; E100-K104 PolarHBondContact O-N 3.16Å; E100-K104 IonicContact OE1-NZ 3.51Å; E100-K104 PolarHBondContact OE1-NZ 2.59Å |
| 101 | A | 56.7 | Low | 55.1 | Low | 20 Ų | 20 | 78.4 Ų | 78.4 | 17% | 0.165 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -69.6 | -36.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K97 L98 K104 V105 F115 C118 | K97-A101 VanDerWaalsContact O-CB 3.23Å; K97-A101 WeakPolarHBondContact O-CB 3.35Å; K97-A101 PolarHBondContact O-N 2.88Å; L98-A101 PolarHBondContact O-N 3.48Å; A101-K104 PolarHBondContact O-N 2.93Å; A101-V105 PolarHBondContact O-N 2.87Å; A101-V105 VanDerWaalsContact O-N 3.13Å; A101-F115 HydrophobicContact CB-CD2 4.44Å; A101-C118 HydrophobicContact CB-CB 4.1Å |
| 102 | A | 53.1 | Low | 55 | Low | 45 Ų | 45 | 79.7 Ų | 79.7 | 37% | 0.372 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L98 S99 K104 V105 F115 | L98-A102 WeakPolarHBondContact O-CB 3.39Å; L98-A102 PolarHBondContact O-N 2.94Å; S99-A102 PolarHBondContact O-N 3.38Å; A102-K104 PolarHBondContact O-N 3.03Å; A102-V105 PolarHBondContact O-N 3.48Å; A102-V105 VanDerWaalsContact O-N 3.16Å; A102-F115 HydrophobicContact CB-CD2 3.97Å; A102-F115 HydrophobicContact CB-CE2 3.68Å |
| 103 | G | 49.5 | Very low | 55.1 | Low | 72 Ų | 72 | 81.5 Ų | 81.5 | 74% | 0.742 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -67.2 | -15.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | S99 E100 | S99-G103 PolarHBondContact O-N 3.44Å; E100-G103 PolarHBondContact O-N 3.05Å |
| 104 | K | 51 | Low | 55.3 | Low | 137 Ų | 137 | 83.4 Ų | 83.4 | 60% | 0.596 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -2.5 | 175.3 | -71.5 | 172.9 | -178.9 | 174.4 | 0 | 113.3 | E100 A101 A102 G106 | E100-K104 WeakPolarHBondContact O-CG 3.39Å; E100-K104 PolarHBondContact O-N 3.16Å; E100-K104 IonicContact OE1-NZ 3.51Å; E100-K104 PolarHBondContact OE1-NZ 2.59Å; A101-K104 PolarHBondContact O-N 2.93Å; A102-K104 PolarHBondContact O-N 3.03Å; K104-G106 PolarHBondContact O-N 3.44Å; K104-G106 VanDerWaalsContact O-N 3.13Å |
| 105 | V | 47.4 | Very low | 55.4 | Low | 40 Ų | 40 | 83.5 Ų | 83.5 | 24% | 0.242 | 47% | 0.466 | C | S | . | . | trans | -72.9 | 107.3 | 179.3 | 124.4 | 0 | 0 | 0 | 0 | 109.6 | A101 A102 S111 Q112 F115 | A101-V105 PolarHBondContact O-N 2.87Å; A101-V105 VanDerWaalsContact O-N 3.13Å; A102-V105 PolarHBondContact O-N 3.48Å; A102-V105 VanDerWaalsContact O-N 3.16Å; V105-S111 WeakPolarHBondContact CG2-O 3.36Å; V105-Q112 HydrophobicContact CG2-CG 4.33Å; V105-F115 HydrophobicContact CB-CB 4.43Å; V105-F115 HydrophobicContact CG2-CB 3.34Å; V105-F115 HydrophobicContact CG2-CD1 4.3Å; V105-F115 HydrophobicContact CG2-CG 3.87Å | ||
| 106 | G | 53.4 | Low | 55.6 | Low | 33 Ų | 33 | 79 Ų | 79 | 34% | 0.34 | 45% | 0.45 | S | S | . | . | trans | -99.1 | -168.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K104 D108 Q112 | K104-G106 PolarHBondContact O-N 3.44Å; K104-G106 VanDerWaalsContact O-N 3.13Å; G106-D108 PolarHBondContact O-N 3.29Å; G106-Q112 PolarHBondContact O-NE2 3.35Å | ||
| 107 | T | 49 | Very low | 55.8 | Low | 140 Ų | 140 | 76.2 Ų | 76.2 | 86% | 0.859 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -73.2 | 2.1 | 170.5 | 45 | 0 | 0 | 0 | 0 | 113.7 | ||
| 108 | D | 50 | Low | 55.9 | Low | 96 Ų | 96 | 71.7 Ų | 71.7 | 51% | 0.513 | 43% | 0.428 | S | S | . | . | trans | -83.8 | 131.4 | 179.3 | -164.9 | -84.2 | 0 | 0 | 0 | 111.4 | G106 A110 S111 Q112 | G106-D108 PolarHBondContact O-N 3.29Å; D108-A110 PolarHBondContact O-N 2.74Å; D108-A110 VanDerWaalsContact OD1-CB 3.3Å; D108-A110 WeakPolarHBondContact OD1-CB 3.41Å; D108-A110 PolarHBondContact OD1-N 2.93Å; D108-S111 PolarHBondContact O-N 2.97Å; D108-Q112 PolarHBondContact O-N 3.32Å; D108-Q112 VanDerWaalsContact O-N 3.15Å | ||
| 109 | T | 51.1 | Low | 56 | Low | 98 Ų | 98 | 71.9 Ų | 71.9 | 60% | 0.601 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -59.7 | -30.9 | -176.9 | -52.4 | 0 | 0 | 0 | 0 | 112.6 | Q113 | T109-Q113 WeakPolarHBondContact O-CG 3.46Å; T109-Q113 PolarHBondContact O-N 3.48Å |
| 110 | A | 59.4 | Low | 56.5 | Low | 56 Ų | 56 | 71.5 Ų | 71.5 | 46% | 0.463 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -69.7 | -41.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D108 Q113 E114 | D108-A110 PolarHBondContact O-N 2.74Å; D108-A110 VanDerWaalsContact OD1-CB 3.3Å; D108-A110 WeakPolarHBondContact OD1-CB 3.41Å; D108-A110 PolarHBondContact OD1-N 2.93Å; A110-Q113 PolarHBondContact O-N 2.76Å; A110-E114 PolarHBondContact O-N 2.84Å |
| 111 | S | 55.7 | Low | 56.8 | Low | 36 Ų | 36 | 71.5 Ų | 71.5 | 25% | 0.252 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 177.5 | -52.2 | 0 | 0 | 0 | 0 | 111.9 | V105 D108 E114 F115 | V105-S111 WeakPolarHBondContact CG2-O 3.36Å; D108-S111 PolarHBondContact O-N 2.97Å; S111-E114 PolarHBondContact O-N 3.09Å; S111-F115 PolarHBondContact O-N 2.8Å |
| 112 | Q | 53 | Low | 57.2 | Low | 87 Ų | 87 | 71.1 Ų | 71.1 | 41% | 0.407 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 173.6 | -69 | 178.2 | 5.6 | 0 | 0 | 111.7 | V105 G106 D108 E114 F115 T116 | V105-Q112 HydrophobicContact CG2-CG 4.33Å; G106-Q112 PolarHBondContact O-NE2 3.35Å; D108-Q112 PolarHBondContact O-N 3.32Å; D108-Q112 VanDerWaalsContact O-N 3.15Å; Q112-E114 VanDerWaalsContact C-N 3.31Å; Q112-E114 PolarHBondContact O-N 3.18Å; Q112-F115 PolarHBondContact O-N 2.85Å; Q112-T116 WeakPolarHBondContact O-CB 3.45Å; Q112-T116 PolarHBondContact O-N 3.48Å; Q112-T116 PolarHBondContact O-OG1 2.96Å |
| 113 | Q | 58.8 | Low | 57.3 | Low | 135 Ų | 135 | 70.7 Ų | 70.7 | 63% | 0.631 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.3 | -37.8 | 174.1 | -80.7 | -172.1 | -51.3 | 0 | 0 | 112.6 | T109 A110 T116 S117 | T109-Q113 WeakPolarHBondContact O-CG 3.46Å; T109-Q113 PolarHBondContact O-N 3.48Å; A110-Q113 PolarHBondContact O-N 2.76Å; Q113-T116 WeakPolarHBondContact O-CB 3.47Å; Q113-T116 PolarHBondContact O-N 2.85Å; Q113-S117 WeakPolarHBondContact O-CB 3.17Å; Q113-S117 PolarHBondContact O-N 2.82Å |
| 114 | E | 63.4 | Low | 57.9 | Low | 145 Ų | 145 | 73 Ų | 73 | 68% | 0.678 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -69.7 | -42.6 | -179.9 | -137.7 | 159.4 | -149.9 | 0 | 0 | 111.7 | A110 S111 Q112 S117 C118 | A110-E114 PolarHBondContact O-N 2.84Å; S111-E114 PolarHBondContact O-N 3.09Å; Q112-E114 VanDerWaalsContact C-N 3.31Å; Q112-E114 PolarHBondContact O-N 3.18Å; E114-S117 PolarHBondContact O-N 3.27Å; E114-C118 WeakPolarHBondContact O-CB 3.35Å; E114-C118 PolarHBondContact O-N 2.85Å |
| 115 | F | 62.2 | Low | 58.5 | Low | 36 Ų | 36 | 67.7 Ų | 67.7 | 16% | 0.158 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62 | -42 | 169.7 | 171.9 | -103.9 | 0 | 0 | 0 | 112.1 | L98 A101 A102 V105 S111 Q112 S117 C118 L119 | L98-F115 HydrophobicContact CD1-CD2 3.88Å; L98-F115 HydrophobicContact CD1-CE2 3.51Å; L98-F115 HydrophobicContact CD1-CZ 4.32Å; L98-F115 HydrophobicContact CG-CE2 4.39Å; A101-F115 HydrophobicContact CB-CD2 4.44Å; A102-F115 HydrophobicContact CB-CD2 3.97Å; A102-F115 HydrophobicContact CB-CE2 3.68Å; V105-F115 HydrophobicContact CB-CB 4.43Å; V105-F115 HydrophobicContact CG2-CB 3.34Å; V105-F115 HydrophobicContact CG2-CD1 4.3Å; V105-F115 HydrophobicContact CG2-CG 3.87Å; S111-F115 PolarHBondContact O-N 2.8Å; Q112-F115 PolarHBondContact O-N 2.85Å; F115-S117 PolarHBondContact O-N 3.37Å; F115-C118 PolarHBondContact O-N 3.22Å; F115-L119 HydrophobicContact CE1-CD1 4.06Å; F115-L119 HydrophobicContact CE2-CD1 4.32Å; F115-L119 HydrophobicContact CZ-CD1 3.67Å; F115-L119 WeakPolarHBondContact O-CB 2.92Å; F115-L119 PolarHBondContact O-N 2.77Å |
| 116 | T | 63.3 | Low | 58.9 | Low | 44 Ų | 44 | 68.7 Ų | 68.7 | 27% | 0.27 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 177 | -54 | 0 | 0 | 0 | 0 | 111.4 | Q112 Q113 C118 L119 K120 I165 | Q112-T116 WeakPolarHBondContact O-CB 3.45Å; Q112-T116 PolarHBondContact O-N 3.48Å; Q112-T116 PolarHBondContact O-OG1 2.96Å; Q113-T116 WeakPolarHBondContact O-CB 3.47Å; Q113-T116 PolarHBondContact O-N 2.85Å; T116-C118 VanDerWaalsContact C-N 3.34Å; T116-L119 PolarHBondContact O-N 2.79Å; T116-K120 WeakPolarHBondContact O-CB 3.44Å; T116-K120 PolarHBondContact O-N 3.01Å; T116-I165 HydrophobicContact CG2-CD1 3.55Å; T116-I165 HydrophobicContact CG2-CG1 4.31Å; T116-I165 WeakPolarHBondContact OG1-CD1 3.41Å |
| 117 | S | 62.9 | Low | 59.1 | Low | 72 Ų | 72 | 68.4 Ų | 68.4 | 50% | 0.503 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 177.4 | -169.3 | 0 | 0 | 0 | 0 | 110.9 | Q113 E114 F115 K120 E121 | Q113-S117 WeakPolarHBondContact O-CB 3.17Å; Q113-S117 PolarHBondContact O-N 2.82Å; E114-S117 PolarHBondContact O-N 3.27Å; F115-S117 PolarHBondContact O-N 3.37Å; S117-K120 PolarHBondContact O-N 3.14Å; S117-E121 WeakPolarHBondContact O-CB 3.2Å; S117-E121 PolarHBondContact O-N 3.2Å |
| 118 | C | 63.7 | Low | 59.5 | Low | 20 Ų | 20 | 70.3 Ų | 70.3 | 14% | 0.135 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.4 | -43 | 178.3 | -165 | 0 | 0 | 0 | 0 | 111.9 | A101 E114 F115 T116 E121 T122 | A101-C118 HydrophobicContact CB-CB 4.1Å; E114-C118 WeakPolarHBondContact O-CB 3.35Å; E114-C118 PolarHBondContact O-N 2.85Å; F115-C118 PolarHBondContact O-N 3.22Å; T116-C118 VanDerWaalsContact C-N 3.34Å; C118-E121 PolarHBondContact O-N 2.83Å; C118-T122 WeakPolarHBondContact O-CB 3.49Å; C118-T122 PolarHBondContact O-N 2.8Å; C118-T122 PolarHBondContact O-OG1 3.45Å |
| 119 | L | 62.1 | Low | 59.6 | Low | 33 Ų | 33 | 67 Ų | 67 | 17% | 0.173 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.3 | -41 | 174.9 | -175.6 | 125.3 | 0 | 0 | 0 | 111.5 | L98 F115 T116 E121 T122 L123 | L98-L119 HydrophobicContact CD1-CB 3.74Å; L98-L119 HydrophobicContact CD1-CD1 4.13Å; L98-L119 HydrophobicContact CD1-CG 4.38Å; F115-L119 HydrophobicContact CE1-CD1 4.06Å; F115-L119 HydrophobicContact CE2-CD1 4.32Å; F115-L119 HydrophobicContact CZ-CD1 3.67Å; F115-L119 WeakPolarHBondContact O-CB 2.92Å; F115-L119 PolarHBondContact O-N 2.77Å; T116-L119 PolarHBondContact O-N 2.79Å; L119-E121 VanDerWaalsContact C-N 3.33Å; L119-E121 PolarHBondContact O-N 3.21Å; L119-T122 PolarHBondContact O-N 2.99Å; L119-L123 HydrophobicContact CD2-CD1 3.58Å; L119-L123 HydrophobicContact CG-CD1 4.01Å; L119-L123 VanDerWaalsContact O-CB 3.25Å; L119-L123 WeakPolarHBondContact O-CB 3.42Å; L119-L123 WeakPolarHBondContact O-CG 3.17Å; L119-L123 PolarHBondContact O-N 3.5Å |
| 120 | K | 65.1 | Low | 59.6 | Low | 50 Ų | 50 | 63 Ų | 63 | 22% | 0.217 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 173.7 | 179.7 | 175.9 | -177.5 | 172.6 | 0 | 111.8 | T116 S117 R124 L152 | T116-K120 WeakPolarHBondContact O-CB 3.44Å; T116-K120 PolarHBondContact O-N 3.01Å; S117-K120 PolarHBondContact O-N 3.14Å; K120-R124 VanDerWaalsContact O-CB 3.31Å; K120-R124 WeakPolarHBondContact O-CB 3.32Å; K120-R124 WeakPolarHBondContact O-CG 3.4Å; K120-R124 PolarHBondContact O-N 3.49Å; K120-L152 HydrophobicContact CD-CD2 3.38Å; K120-L152 HydrophobicContact CG-CD2 3.82Å |
| 121 | E | 62.6 | Low | 59.1 | Low | 106 Ų | 106 | 66.7 Ų | 66.7 | 50% | 0.495 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -71.5 | -42.1 | 177.6 | -166.3 | 168 | 171.4 | 0 | 0 | 111.8 | H94 S117 C118 L119 R124 G125 | H94-E121 IonicContact CE1-OE1 2.63Å; S117-E121 WeakPolarHBondContact O-CB 3.2Å; S117-E121 PolarHBondContact O-N 3.2Å; C118-E121 PolarHBondContact O-N 2.83Å; L119-E121 VanDerWaalsContact C-N 3.33Å; L119-E121 PolarHBondContact O-N 3.21Å; E121-R124 PolarHBondContact O-N 3.24Å; E121-G125 PolarHBondContact O-N 2.61Å |
| 122 | T | 64.4 | Low | 58.8 | Low | 13 Ų | 13 | 68.5 Ų | 68.5 | 8% | 0.08 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 174.1 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | H94 L98 C118 L119 R124 G125 L126 | H94-T122 HydrophobicContact CB-CG2 4.18Å; H94-T122 PolarHBondContact O-OG1 3.24Å; L98-T122 HydrophobicContact CD2-CG2 4.06Å; C118-T122 WeakPolarHBondContact O-CB 3.49Å; C118-T122 PolarHBondContact O-N 2.8Å; C118-T122 PolarHBondContact O-OG1 3.45Å; L119-T122 PolarHBondContact O-N 2.99Å; T122-R124 VanDerWaalsContact C-N 3.35Å; T122-R124 PolarHBondContact O-N 3.06Å; T122-G125 PolarHBondContact O-N 3.46Å; T122-L126 WeakPolarHBondContact O-CB 3.39Å; T122-L126 PolarHBondContact O-N 3.04Å |
| 123 | L | 56 | Low | 58.3 | Low | 35 Ų | 35 | 67.5 Ų | 67.5 | 18% | 0.183 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.1 | -35.3 | 175.4 | -77.9 | 169.4 | 0 | 0 | 0 | 112 | L119 A127 L147 | L119-L123 HydrophobicContact CD2-CD1 3.58Å; L119-L123 HydrophobicContact CG-CD1 4.01Å; L119-L123 VanDerWaalsContact O-CB 3.25Å; L119-L123 WeakPolarHBondContact O-CB 3.42Å; L119-L123 WeakPolarHBondContact O-CG 3.17Å; L119-L123 PolarHBondContact O-N 3.5Å; L123-A127 WeakPolarHBondContact O-CB 3.5Å; L123-A127 PolarHBondContact O-N 3.32Å; L123-L147 HydrophobicContact CB-CD2 4.25Å; L123-L147 HydrophobicContact CD1-CD1 4.06Å |
| 124 | R | 61.7 | Low | 57.6 | Low | 120 Ų | 120 | 65.7 Ų | 65.7 | 45% | 0.453 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.1 | -39 | 171.3 | -89.3 | -175.9 | 169.6 | 143.1 | 4.8 | 112.4 | K120 E121 T122 K128 L152 | K120-R124 VanDerWaalsContact O-CB 3.31Å; K120-R124 WeakPolarHBondContact O-CB 3.32Å; K120-R124 WeakPolarHBondContact O-CG 3.4Å; K120-R124 PolarHBondContact O-N 3.49Å; E121-R124 PolarHBondContact O-N 3.24Å; T122-R124 VanDerWaalsContact C-N 3.35Å; T122-R124 PolarHBondContact O-N 3.06Å; R124-K128 WeakPolarHBondContact O-CB 3.15Å; R124-K128 PolarHBondContact O-N 3.3Å; R124-L152 PolarHBondContact NH2-O 2.84Å; R124-L152 VanDerWaalsContact NH2-O 3.14Å |
| 125 | G | 62.5 | Low | 56.6 | Low | 27 Ų | 27 | 64 Ų | 64 | 28% | 0.278 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E121 T122 K128 N129 | E121-G125 PolarHBondContact O-N 2.61Å; T122-G125 PolarHBondContact O-N 3.46Å; G125-K128 PolarHBondContact O-N 2.83Å; G125-N129 WeakPolarHBondContact O-CB 3.21Å; G125-N129 PolarHBondContact O-N 3.41Å; G125-N129 VanDerWaalsContact O-N 3.08Å |
| 126 | L | 57 | Low | 55.5 | Low | 61 Ų | 61 | 66.8 Ų | 66.8 | 32% | 0.319 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.6 | -46.1 | 177.4 | -170.8 | 68.2 | 0 | 0 | 0 | 112.1 | L91 T122 K128 N129 A130 L133 | L91-L126 HydrophobicContact CD1-CD1 4.26Å; T122-L126 WeakPolarHBondContact O-CB 3.39Å; T122-L126 PolarHBondContact O-N 3.04Å; L126-K128 VanDerWaalsContact C-N 3.33Å; L126-K128 PolarHBondContact O-N 3.3Å; L126-N129 CarbonylContact O-C 3.59Å; L126-N129 WeakPolarHBondContact O-CA 3.06Å; L126-N129 PolarHBondContact O-N 3.17Å; L126-N129 VanDerWaalsContact O-N 3.12Å; L126-A130 PolarHBondContact O-N 2.96Å; L126-L133 HydrophobicContact CD1-CD1 4.48Å |
| 127 | A | 57 | Low | 54.2 | Low | 26 Ų | 26 | 68.1 Ų | 68.1 | 22% | 0.215 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.3 | -35.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L123 N129 A130 V144 | L123-A127 WeakPolarHBondContact O-CB 3.5Å; L123-A127 PolarHBondContact O-N 3.32Å; A127-N129 VanDerWaalsContact C-N 3.25Å; A127-N129 PolarHBondContact O-N 3.19Å; A127-A130 WeakPolarHBondContact O-CB 3.46Å; A127-A130 PolarHBondContact O-N 2.95Å; A127-A130 VanDerWaalsContact O-N 3.1Å; A127-V144 HydrophobicContact CB-CG2 4.12Å |
| 128 | K | 57 | Low | 53 | Low | 180 Ų | 180 | 70.6 Ų | 70.6 | 78% | 0.783 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -69.9 | -24.8 | 174.1 | -169.3 | 177.2 | 179.2 | -174.7 | 0 | 112.4 | R124 G125 L126 | R124-K128 WeakPolarHBondContact O-CB 3.15Å; R124-K128 PolarHBondContact O-N 3.3Å; G125-K128 PolarHBondContact O-N 2.83Å; L126-K128 VanDerWaalsContact C-N 3.33Å; L126-K128 PolarHBondContact O-N 3.3Å |
| 129 | N | 52.6 | Low | 52.3 | Low | 26 Ų | 26 | 72.8 Ų | 72.8 | 14% | 0.139 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -89.4 | -7.4 | 170.8 | -149.1 | -74 | 0 | 0 | 0 | 112.2 | E87 G125 L126 A127 D131 N132 L133 | E87-N129 VanDerWaalsContact CD-ND2 3.32Å; E87-N129 PolarHBondContact OE1-ND2 2.91Å; E87-N129 VanDerWaalsContact OE1-ND2 3.09Å; G125-N129 WeakPolarHBondContact O-CB 3.21Å; G125-N129 PolarHBondContact O-N 3.41Å; G125-N129 VanDerWaalsContact O-N 3.08Å; L126-N129 CarbonylContact O-C 3.59Å; L126-N129 WeakPolarHBondContact O-CA 3.06Å; L126-N129 PolarHBondContact O-N 3.17Å; L126-N129 VanDerWaalsContact O-N 3.12Å; A127-N129 VanDerWaalsContact C-N 3.25Å; A127-N129 PolarHBondContact O-N 3.19Å; N129-D131 VanDerWaalsContact C-N 3.28Å; N129-D131 PolarHBondContact O-N 3.36Å; N129-N132 VanDerWaalsContact O-CB 3.31Å; N129-N132 WeakPolarHBondContact O-CB 3.41Å; N129-N132 PolarHBondContact O-N 3.25Å; N129-L133 PolarHBondContact O-N 3.04Å |
| 130 | A | 50.5 | Low | 51.6 | Low | 15 Ų | 15 | 72 Ų | 72 | 12% | 0.124 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -67.8 | -22.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L126 A127 N132 L133 Q134 | L126-A130 PolarHBondContact O-N 2.96Å; A127-A130 WeakPolarHBondContact O-CB 3.46Å; A127-A130 PolarHBondContact O-N 2.95Å; A127-A130 VanDerWaalsContact O-N 3.1Å; A130-N132 PolarHBondContact O-N 2.93Å; A130-L133 PolarHBondContact O-N 3.01Å; A130-L133 VanDerWaalsContact O-N 3.14Å; A130-Q134 PolarHBondContact O-N 3.5Å |
| 131 | D | 48.8 | Very low | 50.7 | Low | 134 Ų | 134 | 73.9 Ų | 73.9 | 72% | 0.717 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -56.9 | -26.3 | 167.6 | -97.2 | -80 | 0 | 0 | 0 | 112 | N129 | N129-D131 VanDerWaalsContact C-N 3.28Å; N129-D131 PolarHBondContact O-N 3.36Å |
| 132 | N | 50.7 | Low | 50.4 | Low | 74 Ų | 74 | 75 Ų | 75 | 40% | 0.396 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -86.7 | -36.2 | 175.7 | -143.7 | -59.3 | 0 | 0 | 0 | 111.7 | N129 A130 S135 | N129-N132 VanDerWaalsContact O-CB 3.31Å; N129-N132 WeakPolarHBondContact O-CB 3.41Å; N129-N132 PolarHBondContact O-N 3.25Å; A130-N132 PolarHBondContact O-N 2.93Å; N132-S135 WeakPolarHBondContact O-CB 3.21Å; N132-S135 PolarHBondContact O-N 2.98Å; N132-S135 PolarHBondContact O-OG 3.35Å |
| 133 | L | 41.5 | Very low | 49.7 | Very low | 65 Ų | 65 | 78.5 Ų | 78.5 | 34% | 0.34 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -74.7 | -21.3 | 179.5 | -113 | 147.4 | 0 | 0 | 0 | 114.1 | L126 N129 A130 S135 S136 | L126-L133 HydrophobicContact CD1-CD1 4.48Å; N129-L133 PolarHBondContact O-N 3.04Å; A130-L133 PolarHBondContact O-N 3.01Å; A130-L133 VanDerWaalsContact O-N 3.14Å; L133-S135 PolarHBondContact O-N 2.92Å; L133-S136 PolarHBondContact O-N 2.99Å |
| 134 | Q | 45.3 | Very low | 49.7 | Very low | 98 Ų | 98 | 79 Ų | 79 | 46% | 0.458 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -57.1 | -24.7 | 169.3 | -96.6 | 179 | -42.2 | 0 | 0 | 112.6 | A130 S136 D141 | A130-Q134 PolarHBondContact O-N 3.5Å; Q134-S136 VanDerWaalsContact C-N 3.26Å; Q134-S136 PolarHBondContact O-N 3.44Å; Q134-D141 PolarHBondContact NE2-OD2 3.37Å |
| 135 | S | 42.4 | Very low | 49.3 | Very low | 108 Ų | 108 | 79.8 Ų | 79.8 | 76% | 0.755 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -72 | -17.9 | 174.3 | 76.5 | 0 | 0 | 0 | 0 | 113.7 | N132 L133 | N132-S135 WeakPolarHBondContact O-CB 3.21Å; N132-S135 PolarHBondContact O-N 2.98Å; N132-S135 PolarHBondContact O-OG 3.35Å; L133-S135 PolarHBondContact O-N 2.92Å |
| 136 | S | 38.7 | Very low | 48.9 | Very low | 95 Ų | 95 | 81.2 Ų | 81.2 | 66% | 0.664 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -100.5 | -1.4 | -175.6 | -157.7 | 0 | 0 | 0 | 0 | 113.9 | L133 Q134 L138 | L133-S136 PolarHBondContact O-N 2.99Å; Q134-S136 VanDerWaalsContact C-N 3.26Å; Q134-S136 PolarHBondContact O-N 3.44Å; S136-L138 PolarHBondContact O-N 3.07Å |
| 137 | G | 35.8 | Very low | 48.8 | Very low | 72 Ų | 72 | 79.7 Ų | 79.7 | 74% | 0.742 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 7 | 170 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 138 | L | 37.9 | Very low | 48.6 | Very low | 125 Ų | 125 | 85.3 Ų | 85.3 | 65% | 0.654 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -98.4 | 99.6 | 176.4 | -172.4 | 64.2 | 0 | 0 | 0 | 111.1 | S136 G140 | S136-L138 PolarHBondContact O-N 3.07Å; L138-G140 VanDerWaalsContact C-N 3.35Å; L138-G140 PolarHBondContact O-N 3.16Å |
| 139 | A | 49.2 | Very low | 48.5 | Very low | 65 Ų | 65 | 80.2 Ų | 80.2 | 54% | 0.537 | 49% | 0.487 | S | S | . | . | trans | 43.8 | 35.2 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | L143 | A139-L143 WeakPolarHBondContact O-CB 3.36Å; A139-L143 PolarHBondContact O-N 2.86Å | ||
| 140 | G | 46.5 | Very low | 48.3 | Very low | 16 Ų | 16 | 82.4 Ų | 82.4 | 17% | 0.165 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -67.6 | -47 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L138 V144 | L138-G140 VanDerWaalsContact C-N 3.35Å; L138-G140 PolarHBondContact O-N 3.16Å; G140-V144 WeakPolarHBondContact O-CB 3.49Å; G140-V144 VanDerWaalsContact O-CG2 3.24Å; G140-V144 WeakPolarHBondContact O-CG2 3.47Å; G140-V144 PolarHBondContact O-N 2.9Å; G140-V144 VanDerWaalsContact O-N 3.16Å |
| 141 | D | 47.8 | Very low | 48.3 | Very low | 91 Ų | 91 | 84.8 Ų | 84.8 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.6 | -36 | -174.8 | -83.4 | -93.8 | 0 | 0 | 0 | 114 | Q134 K145 | Q134-D141 PolarHBondContact NE2-OD2 3.37Å; D141-K145 VanDerWaalsContact O-CB 3.31Å; D141-K145 WeakPolarHBondContact O-CB 3.07Å; D141-K145 PolarHBondContact O-N 2.79Å |
| 142 | D | 54.3 | Low | 48.5 | Very low | 128 Ų | 128 | 80.6 Ų | 80.6 | 68% | 0.684 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -74 | -38.2 | -179.5 | -110 | -84.8 | 0 | 0 | 0 | 111.5 | K145 A146 | D142-K145 PolarHBondContact O-N 3.49Å; D142-A146 VanDerWaalsContact O-CB 3.23Å; D142-A146 WeakPolarHBondContact O-CB 3.24Å; D142-A146 PolarHBondContact O-N 3.26Å |
| 143 | L | 51.5 | Low | 48.3 | Very low | 88 Ų | 88 | 85.3 Ų | 85.3 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.3 | -39.1 | 177.3 | -170.4 | 131.6 | 0 | 0 | 0 | 111.7 | A139 L147 | A139-L143 WeakPolarHBondContact O-CB 3.36Å; A139-L143 PolarHBondContact O-N 2.86Å; L143-L147 WeakPolarHBondContact O-CB 3.12Å; L143-L147 PolarHBondContact O-N 3.49Å |
| 144 | V | 54.3 | Low | 48.9 | Very low | 44 Ų | 44 | 90.1 Ų | 90.1 | 27% | 0.267 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69 | -42.5 | 174.8 | 173 | 0 | 0 | 0 | 0 | 111.3 | A127 G140 L147 E148 | A127-V144 HydrophobicContact CB-CG2 4.12Å; G140-V144 WeakPolarHBondContact O-CB 3.49Å; G140-V144 VanDerWaalsContact O-CG2 3.24Å; G140-V144 WeakPolarHBondContact O-CG2 3.47Å; G140-V144 PolarHBondContact O-N 2.9Å; G140-V144 VanDerWaalsContact O-N 3.16Å; V144-L147 CarbonylContact O-C 3.53Å; V144-L147 WeakPolarHBondContact O-CB 3.36Å; V144-L147 PolarHBondContact O-N 3.44Å; V144-E148 PolarHBondContact O-N 3.49Å |
| 145 | K | 54.8 | Low | 48.8 | Very low | 137 Ų | 137 | 88.7 Ų | 88.7 | 60% | 0.596 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.3 | -38.4 | 174.2 | -94 | 174.5 | 177.5 | 148.5 | 0 | 113.6 | D141 D142 L147 E148 G149 | D141-K145 VanDerWaalsContact O-CB 3.31Å; D141-K145 WeakPolarHBondContact O-CB 3.07Å; D141-K145 PolarHBondContact O-N 2.79Å; D142-K145 PolarHBondContact O-N 3.49Å; K145-L147 VanDerWaalsContact C-N 3.25Å; K145-L147 PolarHBondContact O-N 3.43Å; K145-E148 PolarHBondContact O-N 2.81Å; K145-G149 PolarHBondContact O-N 3.21Å |
| 146 | A | 54.2 | Low | 48.4 | Very low | 57 Ų | 57 | 86.9 Ų | 86.9 | 47% | 0.471 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.8 | -43.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | D142 G149 L150 | D142-A146 VanDerWaalsContact O-CB 3.23Å; D142-A146 WeakPolarHBondContact O-CB 3.24Å; D142-A146 PolarHBondContact O-N 3.26Å; A146-G149 PolarHBondContact O-N 3.17Å; A146-L150 VanDerWaalsContact O-CD1 3.27Å; A146-L150 WeakPolarHBondContact O-CD1 3.4Å; A146-L150 PolarHBondContact O-N 3.43Å |
| 147 | L | 53.4 | Low | 48.7 | Very low | 30 Ų | 30 | 90.9 Ų | 90.9 | 16% | 0.157 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -69.7 | -33 | 177.5 | -160.5 | 69.8 | 0 | 0 | 0 | 113.9 | L123 L143 V144 K145 L150 L152 | L123-L147 HydrophobicContact CB-CD2 4.25Å; L123-L147 HydrophobicContact CD1-CD1 4.06Å; L143-L147 WeakPolarHBondContact O-CB 3.12Å; L143-L147 PolarHBondContact O-N 3.49Å; V144-L147 CarbonylContact O-C 3.53Å; V144-L147 WeakPolarHBondContact O-CB 3.36Å; V144-L147 PolarHBondContact O-N 3.44Å; K145-L147 VanDerWaalsContact C-N 3.25Å; K145-L147 PolarHBondContact O-N 3.43Å; L147-L150 WeakPolarHBondContact O-CB 3.4Å; L147-L150 PolarHBondContact O-N 3.33Å; L147-L152 HydrophobicContact CD1-CD1 3.33Å; L147-L152 HydrophobicContact CG-CD1 3.69Å |
| 148 | E | 52.7 | Low | 48.7 | Very low | 143 Ų | 143 | 90.3 Ų | 90.3 | 67% | 0.668 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -74 | -36.1 | 172.5 | -81.9 | 179.5 | 124.7 | 0 | 0 | 112.3 | V144 K145 L150 G151 | V144-E148 PolarHBondContact O-N 3.49Å; K145-E148 PolarHBondContact O-N 2.81Å; E148-L150 PolarHBondContact O-N 3.33Å; E148-L150 VanDerWaalsContact O-N 3.16Å; E148-G151 PolarHBondContact O-N 2.92Å |
| 149 | G | 55.1 | Low | 48.8 | Very low | 73 Ų | 73 | 89 Ų | 89 | 75% | 0.753 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -13.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K145 A146 | K145-G149 PolarHBondContact O-N 3.21Å; A146-G149 PolarHBondContact O-N 3.17Å |
| 150 | L | 48.3 | Very low | 48.2 | Very low | 73 Ų | 73 | 88.9 Ų | 88.9 | 38% | 0.382 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.8 | 8.7 | -177.7 | -97.8 | 154.3 | 0 | 0 | 0 | 114.7 | A146 L147 E148 L152 I168 | A146-L150 VanDerWaalsContact O-CD1 3.27Å; A146-L150 WeakPolarHBondContact O-CD1 3.4Å; A146-L150 PolarHBondContact O-N 3.43Å; L147-L150 WeakPolarHBondContact O-CB 3.4Å; L147-L150 PolarHBondContact O-N 3.33Å; E148-L150 PolarHBondContact O-N 3.33Å; E148-L150 VanDerWaalsContact O-N 3.16Å; L150-L152 HydrophobicContact CB-CD1 4.14Å; L150-L152 PolarHBondContact O-N 2.83Å; L150-I168 HydrophobicContact CD1-CD1 3.62Å; L150-I168 HydrophobicContact CD1-CG1 3.7Å; L150-I168 HydrophobicContact CD2-CD1 3.6Å; L150-I168 HydrophobicContact CD2-CG1 3.78Å; L150-I168 HydrophobicContact CG-CD1 4.27Å; L150-I168 HydrophobicContact CG-CG1 4.4Å |
| 151 | G | 51.3 | Low | 48.3 | Very low | 64 Ų | 64 | 97.1 Ų | 97.1 | 66% | 0.66 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.1 | 26.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114 | E148 E153 | E148-G151 PolarHBondContact O-N 2.92Å; G151-E153 PolarHBondContact O-N 3.24Å |
| 152 | L | 52.8 | Low | 48.2 | Very low | 46 Ų | 46 | 98.6 Ų | 98.6 | 24% | 0.241 | 62% | 0.624 | C | S | . | * | trans | -76.8 | 9.6 | 176.4 | -81.3 | 156.6 | 0 | 0 | 0 | 113.5 | K120 R124 L147 L150 E154 | K120-L152 HydrophobicContact CD-CD2 3.38Å; K120-L152 HydrophobicContact CG-CD2 3.82Å; R124-L152 PolarHBondContact NH2-O 2.84Å; R124-L152 VanDerWaalsContact NH2-O 3.14Å; L147-L152 HydrophobicContact CD1-CD1 3.33Å; L147-L152 HydrophobicContact CG-CD1 3.69Å; L150-L152 HydrophobicContact CB-CD1 4.14Å; L150-L152 PolarHBondContact O-N 2.83Å; L152-E154 PolarHBondContact O-N 3.5Å | ||
| 153 | E | 45.8 | Very low | 48 | Very low | 174 Ų | 174 | 96.1 Ų | 96.1 | 81% | 0.813 | 63% | 0.629 | S | S | * | * | trans | -68.9 | 112.9 | 169.1 | -162.9 | -176.7 | 103.5 | 0 | 0 | 109.1 | G151 G155 | G151-E153 PolarHBondContact O-N 3.24Å; E153-G155 PolarHBondContact O-N 2.73Å | ||
| 154 | E | 54.2 | Low | 48.3 | Very low | 166 Ų | 166 | 94.9 Ų | 94.9 | 78% | 0.776 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 95.3 | 174.7 | -177.9 | 147.5 | 73.4 | 0 | 0 | 108.7 | L152 | L152-E154 PolarHBondContact O-N 3.5Š|
| 155 | G | 43.9 | Very low | 48.4 | Very low | 67 Ų | 67 | 94.2 Ų | 94.2 | 69% | 0.691 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 176.3 | -4.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | E153 | E153-G155 PolarHBondContact O-N 2.73Š|
| 156 | G | 35 | Very low | 48.9 | Very low | 70 Ų | 70 | 93.1 Ų | 93.1 | 72% | 0.722 | 62% | 0.617 | S | S | * | * | trans | -101.8 | 101.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G158 | G156-G158 VanDerWaalsContact C-N 3.32Å; G156-G158 PolarHBondContact O-N 3.39Å | ||
| 157 | D | 43.8 | Very low | 49.6 | Very low | 179 Ų | 179 | 93.9 Ų | 93.9 | 96% | 0.957 | 62% | 0.618 | S | S | * | * | trans | -56.4 | 95.5 | 158.5 | -177.8 | 65.8 | 0 | 0 | 0 | 108.9 | ||||
| 158 | G | 35.2 | Very low | 50.1 | Low | 61 Ų | 61 | 93.9 Ų | 93.9 | 63% | 0.629 | 62% | 0.617 | S | S | * | * | trans | -159.3 | 81.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | G156 G160 | G156-G158 VanDerWaalsContact C-N 3.32Å; G156-G158 PolarHBondContact O-N 3.39Å; G158-G160 PolarHBondContact O-N 3.11Å | ||
| 159 | G | 41.1 | Very low | 50.8 | Low | 96 Ų | 96 | 90.6 Ų | 90.6 | 99% | 0.99 | 60% | 0.603 | S | S | * | * | trans | -54.6 | 105.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 160 | G | 36.5 | Very low | 51.4 | Low | 64 Ų | 64 | 92.6 Ų | 92.6 | 66% | 0.66 | 59% | 0.593 | S | S | * | * | trans | -159.6 | 120.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | G158 | G158-G160 PolarHBondContact O-N 3.11Š| ||
| 161 | E | 47.6 | Very low | 52.6 | Low | 189 Ų | 189 | 91.7 Ų | 91.7 | 88% | 0.883 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -31.3 | 149.4 | 163.5 | -125.8 | 142.2 | 74.5 | 0 | 0 | 113.2 | ||
| 162 | D | 46.7 | Very low | 53.7 | Low | 121 Ų | 121 | 92.9 Ų | 92.9 | 65% | 0.647 | 58% | 0.583 | S | S | * | * | trans | 91.4 | 53.8 | 175.8 | -71.8 | -93.7 | 0 | 0 | 0 | 118.7 | N164 | D162-N164 HydrophobicContact CB-CB 4.1Å; D162-N164 PolarHBondContact O-N 3.38Å; D162-N164 WeakPolarHBondContact OD1-CB 3.44Å; D162-N164 PolarHBondContact OD1-ND2 2.69Å | ||
| 163 | G | 50.6 | Low | 54.7 | Low | 76 Ų | 76 | 94.3 Ų | 94.3 | 78% | 0.784 | 59% | 0.589 | S | S | * | * | trans | -70.4 | 43 | 141.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I165 | G163-I165 PolarHBondContact O-N 3.17Š| ||
| 164 | N | 56.2 | Low | 56.1 | Low | 63 Ų | 63 | 90.1 Ų | 90.1 | 34% | 0.337 | 57% | 0.57 | S | S | . | * | trans | -86 | 107.6 | -168.7 | -166.2 | 12.3 | 0 | 0 | 0 | 109.5 | D162 L166 P167 | D162-N164 HydrophobicContact CB-CB 4.1Å; D162-N164 PolarHBondContact O-N 3.38Å; D162-N164 WeakPolarHBondContact OD1-CB 3.44Å; D162-N164 PolarHBondContact OD1-ND2 2.69Å; N164-L166 PolarHBondContact O-N 3.27Å; N164-L166 WeakPolarHBondContact OD1-CB 3.48Å; N164-L166 VanDerWaalsContact OD1-CD1 3.24Å; N164-L166 WeakPolarHBondContact OD1-CD1 3.35Å; N164-L166 WeakPolarHBondContact OD1-CG 3.34Å; N164-P167 WeakPolarHBondContact O-CD 3.26Å | ||
| 165 | I | 57.7 | Low | 57.3 | Low | 29 Ų | 29 | 87.2 Ų | 87.2 | 15% | 0.149 | 56% | 0.56 | C | S | . | * | trans | -81.4 | -8.9 | -178.5 | -64 | 144.3 | 0 | 0 | 0 | 111.2 | T116 G163 P167 I168 M169 | T116-I165 HydrophobicContact CG2-CD1 3.55Å; T116-I165 HydrophobicContact CG2-CG1 4.31Å; T116-I165 WeakPolarHBondContact OG1-CD1 3.41Å; G163-I165 PolarHBondContact O-N 3.17Å; I165-P167 VanDerWaalsContact C-CD 3.43Å; I165-I168 HydrophobicContact CG2-CB 4.41Å; I165-I168 HydrophobicContact CG2-CD1 4.4Å; I165-I168 WeakPolarHBondContact O-CA 3.33Å; I165-I168 WeakPolarHBondContact O-CB 3.04Å; I165-I168 PolarHBondContact O-N 2.88Å; I165-M169 HydrophobicContact CG2-CG 4.05Å; I165-M169 HydrophobicContact CG2-SD 4.39Å; I165-M169 PolarHBondContact O-N 3.27Å | ||
| 166 | L | 64.3 | Low | 58.9 | Low | 114 Ų | 114 | 85.9 Ų | 85.9 | 60% | 0.597 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -52.7 | -43.7 | 178.3 | -65.6 | 176.5 | 0 | 0 | 0 | 113.7 | N164 I168 M169 Q170 | N164-L166 PolarHBondContact O-N 3.27Å; N164-L166 WeakPolarHBondContact OD1-CB 3.48Å; N164-L166 VanDerWaalsContact OD1-CD1 3.24Å; N164-L166 WeakPolarHBondContact OD1-CD1 3.35Å; N164-L166 WeakPolarHBondContact OD1-CG 3.34Å; L166-I168 VanDerWaalsContact C-N 3.27Å; L166-I168 PolarHBondContact O-N 2.93Å; L166-M169 PolarHBondContact O-N 3.33Å; L166-Q170 WeakPolarHBondContact O-CB 3.43Å; L166-Q170 PolarHBondContact O-N 3.02Å |
| 167 | P | 68.9 | Low | 61.1 | Low | 73 Ų | 73 | 83.2 Ų | 83.2 | 47% | 0.474 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.3 | -31 | 176.6 | -19.6 | 34.4 | 0 | 0 | 0 | 112.9 | N164 I165 S171 | N164-P167 WeakPolarHBondContact O-CD 3.26Å; I165-P167 VanDerWaalsContact C-CD 3.43Å; P167-S171 WeakPolarHBondContact O-CB 3.48Å; P167-S171 PolarHBondContact O-N 2.87Å |
| 168 | I | 65.1 | Low | 63.1 | Low | 30 Ų | 30 | 76.1 Ų | 76.1 | 15% | 0.154 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -72.1 | -48.4 | 177.7 | -49.2 | 178 | 0 | 0 | 0 | 110 | L150 I165 L166 Q170 S171 I172 | L150-I168 HydrophobicContact CD1-CD1 3.62Å; L150-I168 HydrophobicContact CD1-CG1 3.7Å; L150-I168 HydrophobicContact CD2-CD1 3.6Å; L150-I168 HydrophobicContact CD2-CG1 3.78Å; L150-I168 HydrophobicContact CG-CD1 4.27Å; L150-I168 HydrophobicContact CG-CG1 4.4Å; I165-I168 HydrophobicContact CG2-CB 4.41Å; I165-I168 HydrophobicContact CG2-CD1 4.4Å; I165-I168 WeakPolarHBondContact O-CA 3.33Å; I165-I168 WeakPolarHBondContact O-CB 3.04Å; I165-I168 PolarHBondContact O-N 2.88Å; L166-I168 VanDerWaalsContact C-N 3.27Å; L166-I168 PolarHBondContact O-N 2.93Å; I168-Q170 VanDerWaalsContact C-N 3.25Å; I168-Q170 PolarHBondContact O-N 3.39Å; I168-S171 PolarHBondContact O-N 3.19Å; I168-I172 HydrophobicContact CG2-CD1 3.93Å; I168-I172 WeakPolarHBondContact O-CG1 3.48Å; I168-I172 PolarHBondContact O-N 2.84Å |
| 169 | M | 66.2 | Low | 65.4 | Low | 74 Ų | 74 | 76.4 Ų | 76.4 | 37% | 0.365 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60 | -40.3 | 176.7 | -70.6 | -179.2 | 76.6 | 0 | 0 | 111 | I165 L166 I172 M173 | I165-M169 HydrophobicContact CG2-CG 4.05Å; I165-M169 HydrophobicContact CG2-SD 4.39Å; I165-M169 PolarHBondContact O-N 3.27Å; L166-M169 PolarHBondContact O-N 3.33Å; M169-I172 PolarHBondContact O-N 2.91Å; M169-M173 WeakPolarHBondContact O-CB 3.38Å; M169-M173 WeakPolarHBondContact O-CG 3.31Å; M169-M173 PolarHBondContact O-N 3.23Å |
| 170 | Q | 68.6 | Low | 67.4 | Low | 115 Ų | 115 | 78.8 Ų | 78.8 | 54% | 0.537 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 175.8 | -172.1 | 169.5 | 27.5 | 0 | 0 | 111.7 | L166 I168 I172 M173 Q174 | L166-Q170 WeakPolarHBondContact O-CB 3.43Å; L166-Q170 PolarHBondContact O-N 3.02Å; I168-Q170 VanDerWaalsContact C-N 3.25Å; I168-Q170 PolarHBondContact O-N 3.39Å; Q170-I172 PolarHBondContact O-N 3.47Å; Q170-M173 PolarHBondContact O-N 3.29Å; Q170-Q174 WeakPolarHBondContact O-CB 3.39Å; Q170-Q174 VanDerWaalsContact O-CG 3.32Å; Q170-Q174 WeakPolarHBondContact O-CG 3.48Å; Q170-Q174 PolarHBondContact O-N 3Å |
| 171 | S | 72.9 | Confident | 69.6 | Low | 54 Ų | 54 | 78.4 Ų | 78.4 | 38% | 0.378 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 176.8 | -176.8 | 0 | 0 | 0 | 0 | 112.6 | P167 I168 Q174 N175 | P167-S171 WeakPolarHBondContact O-CB 3.48Å; P167-S171 PolarHBondContact O-N 2.87Å; I168-S171 PolarHBondContact O-N 3.19Å; S171-Q174 PolarHBondContact O-N 3.35Å; S171-N175 PolarHBondContact O-N 3.39Å; S171-N175 VanDerWaalsContact O-N 3.09Å; S171-N175 PolarHBondContact O-ND2 2.85Å |
| 172 | I | 74.1 | Confident | 71.4 | Confident | 89 Ų | 89 | 69.4 Ų | 69.4 | 46% | 0.456 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66 | -44.9 | 176 | -68.4 | 168.3 | 0 | 0 | 0 | 110.7 | I168 M169 Q170 Q174 N175 L176 | I168-I172 HydrophobicContact CG2-CD1 3.93Å; I168-I172 WeakPolarHBondContact O-CG1 3.48Å; I168-I172 PolarHBondContact O-N 2.84Å; M169-I172 PolarHBondContact O-N 2.91Å; Q170-I172 PolarHBondContact O-N 3.47Å; I172-Q174 VanDerWaalsContact C-N 3.34Å; I172-Q174 PolarHBondContact O-N 2.99Å; I172-N175 PolarHBondContact O-N 2.91Å; I172-L176 HydrophobicContact CG2-CD1 3.65Å; I172-L176 HydrophobicContact CG2-CG 4.46Å; I172-L176 WeakPolarHBondContact O-CB 3.36Å; I172-L176 PolarHBondContact O-N 3.06Å |
| 173 | M | 73.7 | Confident | 73.3 | Confident | 76 Ų | 76 | 66.6 Ų | 66.6 | 37% | 0.374 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 175.7 | -75.5 | -177.4 | -172.2 | 0 | 0 | 111.8 | M169 Q170 N175 L176 L177 | M169-M173 WeakPolarHBondContact O-CB 3.38Å; M169-M173 WeakPolarHBondContact O-CG 3.31Å; M169-M173 PolarHBondContact O-N 3.23Å; Q170-M173 PolarHBondContact O-N 3.29Å; M173-N175 VanDerWaalsContact C-N 3.31Å; M173-N175 PolarHBondContact O-N 3.32Å; M173-L176 PolarHBondContact O-N 2.93Å; M173-L177 VanDerWaalsContact O-CB 3.24Å; M173-L177 WeakPolarHBondContact O-CB 3.25Å; M173-L177 VanDerWaalsContact O-CG 3.24Å; M173-L177 WeakPolarHBondContact O-CG 3.32Å; M173-L177 PolarHBondContact O-N 3.38Å |
| 174 | Q | 76.3 | Confident | 75.1 | Confident | 87 Ų | 87 | 66.2 Ų | 66.2 | 41% | 0.407 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 175.5 | -78.3 | 176 | -12.6 | 0 | 0 | 112.5 | Q170 S171 I172 S178 F240 | Q170-Q174 WeakPolarHBondContact O-CB 3.39Å; Q170-Q174 VanDerWaalsContact O-CG 3.32Å; Q170-Q174 WeakPolarHBondContact O-CG 3.48Å; Q170-Q174 PolarHBondContact O-N 3Å; S171-Q174 PolarHBondContact O-N 3.35Å; I172-Q174 VanDerWaalsContact C-N 3.34Å; I172-Q174 PolarHBondContact O-N 2.99Å; Q174-S178 PolarHBondContact O-N 3.35Å; Q174-F240 HydrophobicContact CB-CE2 4.24Å; Q174-F240 HydrophobicContact CB-CZ 4.35Å; Q174-F240 HydrophobicContact CG-CD2 4.43Å; Q174-F240 HydrophobicContact CG-CE1 3.93Å; Q174-F240 HydrophobicContact CG-CE2 3.76Å; Q174-F240 HydrophobicContact CG-CZ 3.47Å; Q174-F240 VanDerWaalsContact CG-CZ 3.47Å |
| 175 | N | 79.1 | Confident | 76.4 | Confident | 105 Ų | 105 | 64.2 Ų | 64.2 | 56% | 0.561 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -69.6 | -44.8 | 176.6 | -81.5 | -78.1 | 0 | 0 | 0 | 112.5 | S171 I172 M173 S178 | S171-N175 PolarHBondContact O-N 3.39Å; S171-N175 VanDerWaalsContact O-N 3.09Å; S171-N175 PolarHBondContact O-ND2 2.85Å; I172-N175 PolarHBondContact O-N 2.91Å; M173-N175 VanDerWaalsContact C-N 3.31Å; M173-N175 PolarHBondContact O-N 3.32Å; N175-S178 VanDerWaalsContact O-CB 3.26Å; N175-S178 WeakPolarHBondContact O-CB 3.37Å; N175-S178 PolarHBondContact O-N 3.49Å; N175-S178 PolarHBondContact O-OG 3.38Å |
| 176 | L | 78 | Confident | 77.8 | Confident | 39 Ų | 39 | 63 Ų | 63 | 20% | 0.204 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 179.6 | -80.5 | 161.4 | 0 | 0 | 0 | 112.9 | I172 M173 S178 F268 | I172-L176 HydrophobicContact CG2-CD1 3.65Å; I172-L176 HydrophobicContact CG2-CG 4.46Å; I172-L176 WeakPolarHBondContact O-CB 3.36Å; I172-L176 PolarHBondContact O-N 3.06Å; M173-L176 PolarHBondContact O-N 2.93Å; L176-S178 VanDerWaalsContact C-N 3.27Å; L176-F268 HydrophobicContact CB-CD2 4.47Å |
| 177 | L | 81 | Confident | 78.9 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 7% | 0.068 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 7.5 | 178.5 | -60.3 | 176.1 | 0 | 0 | 0 | 112.6 | M173 L182 F226 F240 M247 F268 | M173-L177 VanDerWaalsContact O-CB 3.24Å; M173-L177 WeakPolarHBondContact O-CB 3.25Å; M173-L177 VanDerWaalsContact O-CG 3.24Å; M173-L177 WeakPolarHBondContact O-CG 3.32Å; M173-L177 PolarHBondContact O-N 3.38Å; L177-L182 HydrophobicContact CB-CD2 4.39Å; L177-L182 HydrophobicContact CD2-CD2 3.69Å; L177-F226 WeakPolarHBondContact O-CE1 3.37Å; L177-F226 VanDerWaalsContact O-CZ 3.24Å; L177-F226 WeakPolarHBondContact O-CZ 3.26Å; L177-F240 HydrophobicContact CB-CD2 4.45Å; L177-F240 HydrophobicContact CB-CE2 3.92Å; L177-F240 HydrophobicContact CD1-CE2 3.86Å; L177-F240 HydrophobicContact CD1-CZ 4.21Å; L177-F240 HydrophobicContact CG-CE2 4.48Å; L177-M247 HydrophobicContact CD2-CG 3.92Å; L177-F268 HydrophobicContact CD2-CE2 3.48Å; L177-F268 VanDerWaalsContact CD2-CE2 3.48Å; L177-F268 HydrophobicContact CD2-CZ 3.68Å |
| 178 | S | 84.6 | Confident | 79.8 | Confident | 31 Ų | 31 | 62.5 Ų | 62.5 | 22% | 0.217 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -64.9 | 151.2 | 174.8 | 68 | 0 | 0 | 0 | 0 | 110.6 | Q174 N175 L176 D180 V181 L182 | Q174-S178 PolarHBondContact O-N 3.35Å; N175-S178 VanDerWaalsContact O-CB 3.26Å; N175-S178 WeakPolarHBondContact O-CB 3.37Å; N175-S178 PolarHBondContact O-N 3.49Å; N175-S178 PolarHBondContact O-OG 3.38Å; L176-S178 VanDerWaalsContact C-N 3.27Å; S178-D180 VanDerWaalsContact C-N 3.26Å; S178-D180 PolarHBondContact O-N 3.01Å; S178-V181 PolarHBondContact O-N 3.19Å; S178-V181 WeakPolarHBondContact OG-CG2 3.34Å; S178-L182 WeakPolarHBondContact O-CB 3.33Å; S178-L182 PolarHBondContact O-N 2.93Å |
| 179 | K | 85.3 | Confident | 80.8 | Confident | 67 Ų | 67 | 61.3 Ų | 61.3 | 29% | 0.291 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -53.1 | -46.2 | 176.3 | -178.4 | 170.3 | 174.3 | 172.3 | 0 | 111.2 | V181 Y183 F226 | K179-V181 PolarHBondContact O-N 2.9Å; K179-Y183 HydrophobicContact CG-CG 4.49Å; K179-Y183 WeakPolarHBondContact O-CB 3.05Å; K179-Y183 PolarHBondContact O-N 2.9Å; K179-Y183 VanDerWaalsContact O-N 3.08Å; K179-F226 VanDerWaalsContact CA-CE1 3.41Å; K179-F226 HydrophobicContact CB-CD1 3.52Å; K179-F226 HydrophobicContact CB-CE1 3.81Å; K179-F226 HydrophobicContact CB-CG 4.27Å; K179-F226 HydrophobicContact CD-CB 4.21Å; K179-F226 HydrophobicContact CD-CD1 4.33Å; K179-F226 WeakPolarHBondContact CD-O 3.49Å; K179-F226 WeakPolarHBondContact CE-O 3.33Å; K179-F226 HydrophobicContact CG-CB 4.07Å; K179-F226 HydrophobicContact CG-CD1 3.86Å; K179-F226 HydrophobicContact CG-CG 4.15Å; K179-F226 PolarHBondContact NZ-O 2.86Å |
| 180 | D | 82.6 | Confident | 81.8 | Confident | 145 Ų | 145 | 59.1 Ų | 59.1 | 78% | 0.775 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.5 | -29.7 | -175 | -59.6 | -52.7 | 0 | 0 | 0 | 113.6 | S178 | S178-D180 VanDerWaalsContact C-N 3.26Å; S178-D180 PolarHBondContact O-N 3.01Å |
| 181 | V | 82.9 | Confident | 82.9 | Confident | 56 Ų | 56 | 57.6 Ų | 57.6 | 34% | 0.339 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -93.7 | -49.6 | -179 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | S178 K179 P265 | S178-V181 PolarHBondContact O-N 3.19Å; S178-V181 WeakPolarHBondContact OG-CG2 3.34Å; K179-V181 PolarHBondContact O-N 2.9Å; V181-P265 HydrophobicContact CG1-CB 4.18Å; V181-P265 HydrophobicContact CG1-CG 4.16Å |
| 182 | L | 84.6 | Confident | 83.6 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -87 | -38.1 | -168.2 | -178.1 | 61.8 | 0 | 0 | 0 | 113.5 | L177 S178 S185 L186 I222 F226 I243 M247 F268 | L177-L182 HydrophobicContact CB-CD2 4.39Å; L177-L182 HydrophobicContact CD2-CD2 3.69Å; S178-L182 WeakPolarHBondContact O-CB 3.33Å; S178-L182 PolarHBondContact O-N 2.93Å; L182-S185 PolarHBondContact O-N 3.38Å; L182-L186 HydrophobicContact CD1-CD1 3.86Å; L182-L186 HydrophobicContact CD1-CD2 4.36Å; L182-L186 HydrophobicContact CD1-CG 3.72Å; L182-L186 HydrophobicContact CD2-CD1 3.9Å; L182-L186 HydrophobicContact CG-CD1 3.57Å; L182-L186 HydrophobicContact CG-CG 3.89Å; L182-L186 WeakPolarHBondContact O-CB 3.48Å; L182-L186 WeakPolarHBondContact O-CG 3.45Å; L182-L186 PolarHBondContact O-N 3.37Å; L182-I222 HydrophobicContact CD2-CG2 4.47Å; L182-F226 HydrophobicContact CB-CE2 4.16Å; L182-F226 HydrophobicContact CB-CZ 4.09Å; L182-F226 HydrophobicContact CD2-CE2 3.82Å; L182-F226 HydrophobicContact CD2-CZ 3.83Å; L182-F226 HydrophobicContact CG-CE2 4.03Å; L182-F226 HydrophobicContact CG-CZ 4.28Å; L182-I243 HydrophobicContact CD2-CG2 4.33Å; L182-M247 HydrophobicContact CD1-CE 3.68Å; L182-M247 HydrophobicContact CD2-CE 3.34Å; L182-M247 HydrophobicContact CG-CE 3.98Å; L182-F268 HydrophobicContact CD1-CD1 3.99Å; L182-F268 HydrophobicContact CD1-CD2 4.35Å; L182-F268 HydrophobicContact CD1-CE1 3.58Å; L182-F268 HydrophobicContact CD1-CE2 4Å; L182-F268 HydrophobicContact CD1-CG 4.36Å; L182-F268 HydrophobicContact CD1-CZ 3.61Å; L182-F268 HydrophobicContact CD2-CZ 4.33Å |
| 183 | Y | 87.3 | Confident | 84.4 | Confident | 61 Ų | 61 | 55.3 Ų | 55.3 | 24% | 0.239 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.5 | -49.8 | -176.4 | 177.7 | -107.1 | 0 | 0 | 0 | 113.8 | K179 S185 L186 K187 C223 F226 E227 | K179-Y183 HydrophobicContact CG-CG 4.49Å; K179-Y183 WeakPolarHBondContact O-CB 3.05Å; K179-Y183 PolarHBondContact O-N 2.9Å; K179-Y183 VanDerWaalsContact O-N 3.08Å; Y183-S185 PolarHBondContact O-N 3.43Å; Y183-L186 PolarHBondContact O-N 3.39Å; Y183-K187 HydrophobicContact CE2-CD 4.33Å; Y183-K187 VanDerWaalsContact O-CB 3.23Å; Y183-K187 WeakPolarHBondContact O-CB 3.16Å; Y183-K187 PolarHBondContact O-N 3.47Å; Y183-C223 HydrophobicContact CD2-CB 4.4Å; Y183-C223 HydrophobicContact CE2-CB 4.1Å; Y183-F226 HydrophobicContact CD2-CB 3.66Å; Y183-F226 AromaticContact CD2-CD2 4Å; Y183-F226 HydrophobicContact CD2-CD2 4Å; Y183-F226 HydrophobicContact CD2-CG 4.2Å; Y183-F226 HydrophobicContact CE2-CB 4.31Å; Y183-F226 HydrophobicContact CG-CB 4.29Å; Y183-F226 HydrophobicContact CG-CD2 4.46Å; Y183-E227 HydrophobicContact CE2-CG 3.79Å; Y183-E227 PolarHBondContact OH-OE1 2.77Å |
| 184 | P | 86.8 | Confident | 85.2 | Confident | 68 Ų | 68 | 55.4 Ų | 55.4 | 44% | 0.442 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.3 | -47 | -177.5 | 20.9 | -31.4 | 0 | 0 | 0 | 112 | K187 E188 | P184-K187 PolarHBondContact O-N 2.68Å; P184-E188 PolarHBondContact O-N 3.42Å |
| 185 | S | 84.4 | Confident | 85.9 | Confident | 22 Ų | 22 | 58.7 Ų | 58.7 | 15% | 0.154 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 178.7 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | L182 Y183 K187 E188 I189 P265 | L182-S185 PolarHBondContact O-N 3.38Å; Y183-S185 PolarHBondContact O-N 3.43Å; S185-K187 VanDerWaalsContact C-N 3.34Å; S185-K187 PolarHBondContact O-N 2.86Å; S185-E188 PolarHBondContact O-N 3.36Å; S185-I189 WeakPolarHBondContact O-CD1 3.48Å; S185-I189 WeakPolarHBondContact O-CG1 3.14Å; S185-I189 PolarHBondContact O-N 2.88Å; S185-I189 VanDerWaalsContact O-N 3.08Å; S185-P265 WeakPolarHBondContact OG-CD 2.77Å |
| 186 | L | 86.4 | Confident | 86.4 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 177.4 | -77.1 | -175.8 | 0 | 0 | 0 | 112.9 | L182 Y183 E188 I189 T190 M219 I222 M247 F270 | L182-L186 HydrophobicContact CD1-CD1 3.86Å; L182-L186 HydrophobicContact CD1-CD2 4.36Å; L182-L186 HydrophobicContact CD1-CG 3.72Å; L182-L186 HydrophobicContact CD2-CD1 3.9Å; L182-L186 HydrophobicContact CG-CD1 3.57Å; L182-L186 HydrophobicContact CG-CG 3.89Å; L182-L186 WeakPolarHBondContact O-CB 3.48Å; L182-L186 WeakPolarHBondContact O-CG 3.45Å; L182-L186 PolarHBondContact O-N 3.37Å; Y183-L186 PolarHBondContact O-N 3.39Å; L186-E188 VanDerWaalsContact C-N 3.35Å; L186-I189 PolarHBondContact O-N 2.98Å; L186-T190 VanDerWaalsContact O-CB 3.23Å; L186-T190 WeakPolarHBondContact O-CB 3.38Å; L186-T190 PolarHBondContact O-N 3.07Å; L186-T190 PolarHBondContact O-OG1 3.18Å; L186-M219 HydrophobicContact CD2-CB 4.37Å; L186-M219 HydrophobicContact CD2-CE 4.48Å; L186-M219 HydrophobicContact CD2-CG 4.02Å; L186-M219 HydrophobicContact CD2-SD 4.45Å; L186-I222 HydrophobicContact CD1-CB 3.99Å; L186-I222 HydrophobicContact CD1-CD1 4.38Å; L186-I222 HydrophobicContact CD1-CG2 3.4Å; L186-M247 HydrophobicContact CD1-CE 3.63Å; L186-M247 HydrophobicContact CD2-CE 4.12Å; L186-M247 HydrophobicContact CG-CE 4.29Å; L186-F270 HydrophobicContact CD2-CZ 4.49Å |
| 187 | K | 88.4 | Confident | 87 | Confident | 81 Ų | 81 | 53.9 Ų | 53.9 | 35% | 0.352 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | -179 | -170.6 | 70 | 174.5 | -164.5 | 0 | 111.1 | Y183 P184 S185 S191 C223 E227 | Y183-K187 HydrophobicContact CE2-CD 4.33Å; Y183-K187 VanDerWaalsContact O-CB 3.23Å; Y183-K187 WeakPolarHBondContact O-CB 3.16Å; Y183-K187 PolarHBondContact O-N 3.47Å; P184-K187 PolarHBondContact O-N 2.68Å; S185-K187 VanDerWaalsContact C-N 3.34Å; S185-K187 PolarHBondContact O-N 2.86Å; K187-S191 WeakPolarHBondContact O-CB 3.36Å; K187-S191 PolarHBondContact O-N 2.92Å; K187-S191 PolarHBondContact O-OG 3.48Å; K187-C223 HydrophobicContact CD-CB 4.36Å; K187-E227 IonicContact NZ-OE1 3.74Å; K187-E227 PolarHBondContact NZ-OE1 3.07Å |
| 188 | E | 87.3 | Confident | 87.5 | Confident | 96 Ų | 96 | 59 Ų | 59 | 45% | 0.449 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.9 | -50.3 | 175.7 | -176.6 | 175.3 | 175.4 | 0 | 0 | 111.4 | P184 S185 L186 T190 S191 K192 | P184-E188 PolarHBondContact O-N 3.42Å; S185-E188 PolarHBondContact O-N 3.36Å; L186-E188 VanDerWaalsContact C-N 3.35Å; E188-T190 PolarHBondContact O-N 3.23Å; E188-S191 PolarHBondContact O-N 3.42Å; E188-K192 PolarHBondContact O-N 3.08Å; E188-K192 WeakPolarHBondContact OE1-CE 3.36Å; E188-K192 IonicContact OE1-NZ 3.4Å; E188-K192 PolarHBondContact OE1-NZ 3.24Å |
| 189 | I | 86.2 | Confident | 87.8 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.5 | -50.1 | 179.5 | -66.2 | 168.6 | 0 | 0 | 0 | 110.5 | S185 L186 S191 K192 Y193 M219 L260 T264 | S185-I189 WeakPolarHBondContact O-CD1 3.48Å; S185-I189 WeakPolarHBondContact O-CG1 3.14Å; S185-I189 PolarHBondContact O-N 2.88Å; S185-I189 VanDerWaalsContact O-N 3.08Å; L186-I189 PolarHBondContact O-N 2.98Å; I189-S191 PolarHBondContact O-N 3.44Å; I189-K192 PolarHBondContact O-N 3.29Å; I189-Y193 HydrophobicContact CG2-CD2 3.63Å; I189-Y193 HydrophobicContact CG2-CE2 3.43Å; I189-Y193 VanDerWaalsContact CG2-CE2 3.43Å; I189-Y193 WeakPolarHBondContact O-CD2 3.43Å; I189-Y193 PolarHBondContact O-N 3.27Å; I189-M219 HydrophobicContact CG2-CE 4.15Å; I189-M219 HydrophobicContact CG2-SD 3.72Å; I189-L260 WeakPolarHBondContact CG1-O 3.43Å; I189-L260 HydrophobicContact CG2-CB 4.47Å; I189-T264 HydrophobicContact CD1-CG2 3.99Å |
| 190 | T | 88.3 | Confident | 88 | Confident | 29 Ų | 29 | 60.5 Ų | 60.5 | 18% | 0.178 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.5 | -34 | -179.6 | -56.1 | 0 | 0 | 0 | 0 | 112 | L186 E188 K192 P194 M219 | L186-T190 VanDerWaalsContact O-CB 3.23Å; L186-T190 WeakPolarHBondContact O-CB 3.38Å; L186-T190 PolarHBondContact O-N 3.07Å; L186-T190 PolarHBondContact O-OG1 3.18Å; E188-T190 PolarHBondContact O-N 3.23Å; T190-K192 VanDerWaalsContact C-N 3.35Å; T190-P194 VanDerWaalsContact O-CD 3.29Å; T190-P194 WeakPolarHBondContact O-CD 3.36Å; T190-M219 WeakPolarHBondContact OG1-CB 3.19Å |
| 191 | S | 89.8 | Confident | 88.1 | Confident | 83 Ų | 83 | 58.7 Ų | 58.7 | 58% | 0.58 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -70.5 | -31 | 178.6 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | K187 E188 I189 | K187-S191 WeakPolarHBondContact O-CB 3.36Å; K187-S191 PolarHBondContact O-N 2.92Å; K187-S191 PolarHBondContact O-OG 3.48Å; E188-S191 PolarHBondContact O-N 3.42Å; I189-S191 PolarHBondContact O-N 3.44Å |
| 192 | K | 89.5 | Confident | 88.3 | Confident | 95 Ų | 95 | 61.4 Ų | 61.4 | 41% | 0.413 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -85.8 | -23.7 | 179.5 | -65.6 | 177 | -173 | 169 | 0 | 113.4 | E188 I189 T190 E195 W196 L260 | E188-K192 PolarHBondContact O-N 3.08Å; E188-K192 WeakPolarHBondContact OE1-CE 3.36Å; E188-K192 IonicContact OE1-NZ 3.4Å; E188-K192 PolarHBondContact OE1-NZ 3.24Å; I189-K192 PolarHBondContact O-N 3.29Å; T190-K192 VanDerWaalsContact C-N 3.35Å; K192-E195 PolarHBondContact O-N 3.05Å; K192-W196 PolarHBondContact O-N 3.2Å; K192-W196 VanDerWaalsContact O-N 3.16Å; K192-L260 HydrophobicContact CB-CD2 3.53Å |
| 193 | Y | 89.5 | Confident | 88.5 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -52.9 | -46.8 | -177.9 | -109.9 | -79.5 | 0 | 0 | 0 | 115.6 | I189 E195 W196 L197 Q215 A216 M219 P256 P257 L260 | I189-Y193 HydrophobicContact CG2-CD2 3.63Å; I189-Y193 HydrophobicContact CG2-CE2 3.43Å; I189-Y193 VanDerWaalsContact CG2-CE2 3.43Å; I189-Y193 WeakPolarHBondContact O-CD2 3.43Å; I189-Y193 PolarHBondContact O-N 3.27Å; Y193-E195 PolarHBondContact O-N 3.14Å; Y193-W196 PolarHBondContact O-N 2.63Å; Y193-L197 HydrophobicContact CD1-CD1 4.28Å; Y193-L197 HydrophobicContact CD1-CG 4.4Å; Y193-L197 WeakPolarHBondContact O-CB 3.43Å; Y193-L197 WeakPolarHBondContact O-CG 3.24Å; Y193-L197 PolarHBondContact O-N 2.8Å; Y193-Q215 PolarHBondContact OH-OE1 3.23Å; Y193-A216 HydrophobicContact CD1-CB 3.64Å; Y193-A216 HydrophobicContact CD2-CB 4.35Å; Y193-A216 HydrophobicContact CE1-CB 4.23Å; Y193-A216 HydrophobicContact CG-CB 3.69Å; Y193-M219 HydrophobicContact CD2-SD 4.12Å; Y193-M219 HydrophobicContact CE2-CE 4.15Å; Y193-M219 HydrophobicContact CE2-SD 3.48Å; Y193-M219 WeakPolarHBondContact CE2-SD 3.45Å; Y193-P256 WeakPolarHBondContact OH-CB 3.2Å; Y193-P257 HydrophobicContact CE1-CG 4.29Å; Y193-P257 WeakPolarHBondContact OH-CD 3.31Å; Y193-L260 HydrophobicContact CD1-CD1 3.75Å; Y193-L260 HydrophobicContact CD2-CD1 3.71Å; Y193-L260 HydrophobicContact CE1-CD1 3.89Å; Y193-L260 HydrophobicContact CE2-CD1 3.82Å; Y193-L260 HydrophobicContact CG-CD1 3.68Å |
| 194 | P | 90.3 | Very high | 88.6 | Confident | 78 Ų | 78 | 65.1 Ų | 65.1 | 51% | 0.506 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | -177.2 | -24.2 | 34 | 0 | 0 | 0 | 113.1 | T190 E198 | T190-P194 VanDerWaalsContact O-CD 3.29Å; T190-P194 WeakPolarHBondContact O-CD 3.36Å; P194-E198 PolarHBondContact O-N 3.12Å; P194-E198 VanDerWaalsContact O-N 3.16Å |
| 195 | E | 90.9 | Very high | 88.8 | Confident | 155 Ų | 155 | 64.2 Ų | 64.2 | 72% | 0.724 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.8 | -42 | 178.5 | -174.5 | 178.3 | 102.3 | 0 | 0 | 111.2 | K192 Y193 E198 T199 | K192-E195 PolarHBondContact O-N 3.05Å; Y193-E195 PolarHBondContact O-N 3.14Å; E195-E198 PolarHBondContact O-N 3.08Å; E195-T199 WeakPolarHBondContact O-CB 3.33Å; E195-T199 PolarHBondContact O-N 3.09Å; E195-T199 PolarHBondContact O-OG1 2.88Å |
| 196 | W | 91 | Very high | 89 | Confident | 30 Ų | 30 | 67.2 Ų | 67.2 | 11% | 0.114 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 177.5 | -174.6 | 91.5 | 0 | 0 | 0 | 112.1 | K192 Y193 T199 N200 L204 Y212 P257 E259 L260 | K192-W196 PolarHBondContact O-N 3.2Å; K192-W196 VanDerWaalsContact O-N 3.16Å; Y193-W196 PolarHBondContact O-N 2.63Å; W196-T199 PolarHBondContact O-N 3.46Å; W196-N200 HydrophobicContact CH2-CB 4.24Å; W196-N200 HydrophobicContact CZ2-CB 4.18Å; W196-N200 HydrophobicContact CZ3-CB 4.42Å; W196-N200 PolarHBondContact NE1-ND2 3.45Å; W196-N200 VanDerWaalsContact NE1-ND2 3.18Å; W196-N200 WeakPolarHBondContact O-CB 3.46Å; W196-N200 PolarHBondContact O-N 2.83Å; W196-N200 PolarHBondContact O-ND2 3.47Å; W196-L204 HydrophobicContact CH2-CD1 3.82Å; W196-L204 HydrophobicContact CH2-CD2 4.09Å; W196-L204 HydrophobicContact CH2-CG 4.45Å; W196-L204 HydrophobicContact CZ3-CD1 3.69Å; W196-Y212 AromaticContact CH2-CD2 3.93Å; W196-Y212 HydrophobicContact CH2-CD2 3.93Å; W196-Y212 AromaticContact CH2-CE2 3.83Å; W196-Y212 HydrophobicContact CH2-CE2 3.83Å; W196-Y212 AromaticContact CZ3-CD2 3.69Å; W196-Y212 HydrophobicContact CZ3-CD2 3.69Å; W196-Y212 HydrophobicContact CZ3-CE2 4.09Å; W196-Y212 HydrophobicContact CZ3-CG 4.09Å; W196-P257 HydrophobicContact CD2-CB 4.11Å; W196-P257 HydrophobicContact CD2-CG 4.06Å; W196-P257 HydrophobicContact CE3-CB 4.29Å; W196-P257 HydrophobicContact CE3-CG 3.75Å; W196-P257 HydrophobicContact CH2-CB 3.67Å; W196-P257 HydrophobicContact CH2-CG 3.41Å; W196-P257 VanDerWaalsContact CH2-CG 3.41Å; W196-P257 HydrophobicContact CZ2-CB 3.45Å; W196-P257 VanDerWaalsContact CZ2-CB 3.45Å; W196-P257 HydrophobicContact CZ2-CG 3.76Å; W196-P257 HydrophobicContact CZ3-CB 4.08Å; W196-P257 HydrophobicContact CZ3-CG 3.4Å; W196-P257 VanDerWaalsContact CZ3-CG 3.4Å; W196-E259 PolarHBondContact NE1-OE2 2.88Å; W196-L260 HydrophobicContact CB-CD1 3.88Å; W196-L260 HydrophobicContact CB-CD2 3.94Å; W196-L260 HydrophobicContact CB-CG 4.18Å; W196-L260 HydrophobicContact CD2-CD1 4.05Å; W196-L260 HydrophobicContact CD2-CG 4.42Å; W196-L260 HydrophobicContact CE3-CD1 4.29Å; W196-L260 HydrophobicContact CG-CD1 3.86Å; W196-L260 HydrophobicContact CG-CD2 4.14Å; W196-L260 HydrophobicContact CG-CG 3.96Å |
| 197 | L | 90.4 | Very high | 89.1 | Confident | 13 Ų | 13 | 74.8 Ų | 74.8 | 7% | 0.068 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.5 | -45 | 176.8 | -81 | 169.7 | 0 | 0 | 0 | 112.1 | Y193 N200 K201 Q213 | Y193-L197 HydrophobicContact CD1-CD1 4.28Å; Y193-L197 HydrophobicContact CD1-CG 4.4Å; Y193-L197 WeakPolarHBondContact O-CB 3.43Å; Y193-L197 WeakPolarHBondContact O-CG 3.24Å; Y193-L197 PolarHBondContact O-N 2.8Å; L197-N200 PolarHBondContact O-N 3.49Å; L197-K201 WeakPolarHBondContact O-CA 3.47Å; L197-K201 WeakPolarHBondContact O-CB 3.24Å; L197-K201 PolarHBondContact O-N 2.8Å; L197-Q213 HydrophobicContact CD1-CG 3.84Å; L197-Q213 HydrophobicContact CD2-CG 4.39Å |
| 198 | E | 90 | Very high | 89.2 | Confident | 121 Ų | 121 | 73.2 Ų | 73.2 | 57% | 0.565 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -67.8 | -37.9 | 178.9 | -76.1 | -68.4 | 120.6 | 0 | 0 | 111.9 | P194 E195 K201 | P194-E198 PolarHBondContact O-N 3.12Å; P194-E198 VanDerWaalsContact O-N 3.16Å; E195-E198 PolarHBondContact O-N 3.08Å; E198-K201 IonicContact OE1-NZ 2.74Å; E198-K201 PolarHBondContact OE1-NZ 3.27Å; E198-K201 IonicContact OE2-NZ 3.45Å |
| 199 | T | 91.6 | Very high | 89.2 | Confident | 98 Ų | 98 | 70 Ų | 70 | 60% | 0.601 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -66.3 | -41.3 | 177 | -57.7 | 0 | 0 | 0 | 0 | 112 | E195 W196 | E195-T199 WeakPolarHBondContact O-CB 3.33Å; E195-T199 PolarHBondContact O-N 3.09Å; E195-T199 PolarHBondContact O-OG1 2.88Å; W196-T199 PolarHBondContact O-N 3.46Å |
| 200 | N | 88.9 | Confident | 89.5 | Confident | 31 Ų | 31 | 75.4 Ų | 75.4 | 17% | 0.166 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -94 | 2.5 | -175.8 | -69.7 | -79.1 | 0 | 0 | 0 | 114 | W196 L197 S202 T203 L204 | W196-N200 HydrophobicContact CH2-CB 4.24Å; W196-N200 HydrophobicContact CZ2-CB 4.18Å; W196-N200 HydrophobicContact CZ3-CB 4.42Å; W196-N200 PolarHBondContact NE1-ND2 3.45Å; W196-N200 VanDerWaalsContact NE1-ND2 3.18Å; W196-N200 WeakPolarHBondContact O-CB 3.46Å; W196-N200 PolarHBondContact O-N 2.83Å; W196-N200 PolarHBondContact O-ND2 3.47Å; L197-N200 PolarHBondContact O-N 3.49Å; N200-S202 PolarHBondContact O-N 3.44Å; N200-T203 WeakPolarHBondContact CA-OG1 3.45Å; N200-T203 PolarHBondContact O-N 2.84Å; N200-T203 PolarHBondContact O-OG1 2.85Å; N200-T203 PolarHBondContact OD1-OG1 2.79Å; N200-L204 HydrophobicContact CB-CD1 3.73Å; N200-L204 HydrophobicContact CB-CG 3.97Å; N200-L204 WeakPolarHBondContact O-CB 3.45Å; N200-L204 VanDerWaalsContact O-CG 3.22Å; N200-L204 WeakPolarHBondContact O-CG 3.23Å; N200-L204 PolarHBondContact O-N 2.96Å |
| 201 | K | 86.4 | Confident | 89.6 | Confident | 107 Ų | 107 | 77.7 Ų | 77.7 | 47% | 0.465 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -30.3 | -178.6 | -166.2 | 172 | -165.7 | 162.6 | 0 | 114.8 | L197 E198 | L197-K201 WeakPolarHBondContact O-CA 3.47Å; L197-K201 WeakPolarHBondContact O-CB 3.24Å; L197-K201 PolarHBondContact O-N 2.8Å; E198-K201 IonicContact OE1-NZ 2.74Å; E198-K201 PolarHBondContact OE1-NZ 3.27Å; E198-K201 IonicContact OE2-NZ 3.45Å |
| 202 | S | 87.2 | Confident | 89.7 | Confident | 114 Ų | 114 | 75.3 Ų | 75.3 | 80% | 0.797 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -18 | 179 | 59.6 | 0 | 0 | 0 | 0 | 113.6 | N200 | N200-S202 PolarHBondContact O-N 3.44Š|
| 203 | T | 88.4 | Confident | 89.7 | Confident | 102 Ų | 102 | 75.2 Ų | 75.2 | 63% | 0.626 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -24.4 | -179.7 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | N200 | N200-T203 WeakPolarHBondContact CA-OG1 3.45Å; N200-T203 PolarHBondContact O-N 2.84Å; N200-T203 PolarHBondContact O-OG1 2.85Å; N200-T203 PolarHBondContact OD1-OG1 2.79Å |
| 204 | L | 88.5 | Confident | 89.9 | Confident | 38 Ų | 38 | 79.3 Ų | 79.3 | 20% | 0.199 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -84.4 | 146.5 | -179.2 | -67 | 170.7 | 0 | 0 | 0 | 112.9 | W196 N200 D208 H209 Y212 | W196-L204 HydrophobicContact CH2-CD1 3.82Å; W196-L204 HydrophobicContact CH2-CD2 4.09Å; W196-L204 HydrophobicContact CH2-CG 4.45Å; W196-L204 HydrophobicContact CZ3-CD1 3.69Å; N200-L204 HydrophobicContact CB-CD1 3.73Å; N200-L204 HydrophobicContact CB-CG 3.97Å; N200-L204 WeakPolarHBondContact O-CB 3.45Å; N200-L204 VanDerWaalsContact O-CG 3.22Å; N200-L204 WeakPolarHBondContact O-CG 3.23Å; N200-L204 PolarHBondContact O-N 2.96Å; L204-D208 HydrophobicContact CD2-CB 4.2Å; L204-H209 HydrophobicContact CB-CB 4.33Å; L204-Y212 HydrophobicContact CD1-CD2 4.01Å; L204-Y212 HydrophobicContact CD1-CE2 4.38Å; L204-Y212 HydrophobicContact CD2-CD2 4.2Å; L204-Y212 HydrophobicContact CD2-CE2 3.75Å |
| 205 | S | 91.3 | Very high | 89.9 | Confident | 48 Ų | 48 | 75.6 Ų | 75.6 | 34% | 0.336 | 40% | 0.396 | S | S | . | . | trans | -66.7 | 158.2 | 165.5 | 80.2 | 0 | 0 | 0 | 0 | 110.3 | E207 D208 H209 | S205-E207 PolarHBondContact O-N 2.85Å; S205-E207 PolarHBondContact OG-N 3.36Å; S205-D208 PolarHBondContact O-N 3.01Å; S205-D208 WeakPolarHBondContact OG-CB 3.29Å; S205-D208 VanDerWaalsContact OG-CG 3.27Å; S205-D208 PolarHBondContact OG-N 3.35Å; S205-D208 PolarHBondContact OG-OD2 3.49Å; S205-H209 WeakPolarHBondContact O-CB 3.35Å; S205-H209 PolarHBondContact O-N 3.33Å | ||
| 206 | A | 88.8 | Confident | 89.9 | Confident | 85 Ų | 85 | 69 Ų | 69 | 70% | 0.702 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.1 | -33.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q210 | A206-Q210 WeakPolarHBondContact O-CB 3.5Å; A206-Q210 PolarHBondContact O-N 3.06Å |
| 207 | E | 89.1 | Confident | 90 | Very high | 162 Ų | 162 | 74.3 Ų | 74.3 | 76% | 0.757 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -69 | -46.7 | 178.2 | -64.6 | 177.3 | 92.6 | 0 | 0 | 111.1 | S205 Q210 R211 | S205-E207 PolarHBondContact O-N 2.85Å; S205-E207 PolarHBondContact OG-N 3.36Å; E207-Q210 PolarHBondContact O-N 2.88Å; E207-R211 WeakPolarHBondContact O-CB 3.48Å; E207-R211 PolarHBondContact O-N 3.49Å |
| 208 | D | 88.9 | Confident | 90.1 | Very high | 48 Ų | 48 | 74.8 Ų | 74.8 | 26% | 0.257 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 176.9 | -70 | -52.1 | 0 | 0 | 0 | 112.2 | L204 S205 Q210 R211 Y212 | L204-D208 HydrophobicContact CD2-CB 4.2Å; S205-D208 PolarHBondContact O-N 3.01Å; S205-D208 WeakPolarHBondContact OG-CB 3.29Å; S205-D208 VanDerWaalsContact OG-CG 3.27Å; S205-D208 PolarHBondContact OG-N 3.35Å; S205-D208 PolarHBondContact OG-OD2 3.49Å; D208-Q210 VanDerWaalsContact C-N 3.31Å; D208-Q210 PolarHBondContact O-N 3.35Å; D208-R211 WeakPolarHBondContact O-CB 3.43Å; D208-R211 PolarHBondContact O-N 2.66Å; D208-R211 IonicContact OD1-CZ 2.61Å; D208-R211 IonicContact OD1-NE 2.75Å; D208-R211 PolarHBondContact OD1-NE 3.25Å; D208-R211 IonicContact OD1-NH2 2.84Å; D208-R211 PolarHBondContact OD1-NH2 3.3Å; D208-Y212 HydrophobicContact CB-CD2 4.26Å; D208-Y212 HydrophobicContact CB-CE2 3.95Å; D208-Y212 WeakPolarHBondContact O-CB 3.33Å; D208-Y212 WeakPolarHBondContact O-CD2 3.27Å; D208-Y212 PolarHBondContact O-N 3.15Å |
| 209 | H | 89.1 | Confident | 90.1 | Very high | 28 Ų | 28 | 69 Ų | 69 | 13% | 0.13 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 177.3 | -176.2 | -91.8 | 0 | 0 | 0 | 111.4 | L204 S205 Q213 | L204-H209 HydrophobicContact CB-CB 4.33Å; S205-H209 WeakPolarHBondContact O-CB 3.35Å; S205-H209 PolarHBondContact O-N 3.33Å; H209-Q213 PolarHBondContact CE1-NE2 2.69Å; H209-Q213 WeakPolarHBondContact O-CB 3.45Å; H209-Q213 VanDerWaalsContact O-CG 3.3Å; H209-Q213 WeakPolarHBondContact O-CG 3.12Å; H209-Q213 PolarHBondContact O-N 2.87Å |
| 210 | Q | 90.7 | Very high | 90.1 | Very high | 119 Ų | 119 | 65 Ų | 65 | 56% | 0.556 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.3 | -42.3 | 174.5 | -172.2 | -179.2 | -71.5 | 0 | 0 | 111.7 | A206 E207 D208 Q213 Q214 | A206-Q210 WeakPolarHBondContact O-CB 3.5Å; A206-Q210 PolarHBondContact O-N 3.06Å; E207-Q210 PolarHBondContact O-N 2.88Å; D208-Q210 VanDerWaalsContact C-N 3.31Å; D208-Q210 PolarHBondContact O-N 3.35Å; Q210-Q213 WeakPolarHBondContact O-CB 3.28Å; Q210-Q213 PolarHBondContact O-N 3.14Å; Q210-Q214 WeakPolarHBondContact O-CG 3.49Å; Q210-Q214 PolarHBondContact O-N 2.94Å |
| 211 | R | 91.4 | Very high | 90.3 | Very high | 77 Ų | 77 | 65.8 Ų | 65.8 | 29% | 0.291 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.1 | -48.6 | 178.4 | -171.3 | 168.7 | 67.9 | 120.6 | -9 | 111.7 | E207 D208 Q213 Q214 Q215 L253 | E207-R211 WeakPolarHBondContact O-CB 3.48Å; E207-R211 PolarHBondContact O-N 3.49Å; D208-R211 WeakPolarHBondContact O-CB 3.43Å; D208-R211 PolarHBondContact O-N 2.66Å; D208-R211 IonicContact OD1-CZ 2.61Å; D208-R211 IonicContact OD1-NE 2.75Å; D208-R211 PolarHBondContact OD1-NE 3.25Å; D208-R211 IonicContact OD1-NH2 2.84Å; D208-R211 PolarHBondContact OD1-NH2 3.3Å; R211-Q213 VanDerWaalsContact C-N 3.34Å; R211-Q213 PolarHBondContact O-N 3.09Å; R211-Q214 WeakPolarHBondContact O-CB 3.08Å; R211-Q214 PolarHBondContact O-N 3.25Å; R211-Q214 VanDerWaalsContact O-N 3.11Å; R211-Q215 WeakPolarHBondContact O-CG 3.46Å; R211-Q215 PolarHBondContact O-N 3.08Å; R211-L253 WeakPolarHBondContact CD-O 3.49Å; R211-L253 HydrophobicContact CG-CB 4.19Å; R211-L253 HydrophobicContact CG-CD2 4.35Å; R211-L253 WeakPolarHBondContact CG-O 3.31Å; R211-L253 PolarHBondContact NH1-O 3.49Å; R211-L253 VanDerWaalsContact NH1-O 3.12Å |
| 212 | Y | 90.9 | Very high | 90.5 | Very high | 32 Ų | 32 | 60.7 Ų | 60.7 | 13% | 0.125 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.4 | -33.5 | 176.6 | -66.3 | -45.1 | 0 | 0 | 0 | 112.9 | W196 L204 D208 Q214 Q215 A216 P257 | W196-Y212 AromaticContact CH2-CD2 3.93Å; W196-Y212 HydrophobicContact CH2-CD2 3.93Å; W196-Y212 AromaticContact CH2-CE2 3.83Å; W196-Y212 HydrophobicContact CH2-CE2 3.83Å; W196-Y212 AromaticContact CZ3-CD2 3.69Å; W196-Y212 HydrophobicContact CZ3-CD2 3.69Å; W196-Y212 HydrophobicContact CZ3-CE2 4.09Å; W196-Y212 HydrophobicContact CZ3-CG 4.09Å; L204-Y212 HydrophobicContact CD1-CD2 4.01Å; L204-Y212 HydrophobicContact CD1-CE2 4.38Å; L204-Y212 HydrophobicContact CD2-CD2 4.2Å; L204-Y212 HydrophobicContact CD2-CE2 3.75Å; D208-Y212 HydrophobicContact CB-CD2 4.26Å; D208-Y212 HydrophobicContact CB-CE2 3.95Å; D208-Y212 WeakPolarHBondContact O-CB 3.33Å; D208-Y212 WeakPolarHBondContact O-CD2 3.27Å; D208-Y212 PolarHBondContact O-N 3.15Å; Y212-Q214 VanDerWaalsContact C-N 3.34Å; Y212-Q215 PolarHBondContact O-N 3.31Å; Y212-A216 WeakPolarHBondContact O-CB 3.18Å; Y212-A216 PolarHBondContact O-N 3.19Å; Y212-P257 HydrophobicContact CD1-CG 3.78Å; Y212-P257 HydrophobicContact CE1-CG 3.76Å; Y212-P257 HydrophobicContact CG-CG 4.21Å |
| 213 | Q | 90.9 | Very high | 90.7 | Very high | 94 Ų | 94 | 55.4 Ų | 55.4 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 169.8 | -80.8 | -174.3 | -5 | 0 | 0 | 112.4 | L197 H209 Q210 R211 K217 | L197-Q213 HydrophobicContact CD1-CG 3.84Å; L197-Q213 HydrophobicContact CD2-CG 4.39Å; H209-Q213 PolarHBondContact CE1-NE2 2.69Å; H209-Q213 WeakPolarHBondContact O-CB 3.45Å; H209-Q213 VanDerWaalsContact O-CG 3.3Å; H209-Q213 WeakPolarHBondContact O-CG 3.12Å; H209-Q213 PolarHBondContact O-N 2.87Å; Q210-Q213 WeakPolarHBondContact O-CB 3.28Å; Q210-Q213 PolarHBondContact O-N 3.14Å; R211-Q213 VanDerWaalsContact C-N 3.34Å; R211-Q213 PolarHBondContact O-N 3.09Å; Q213-K217 WeakPolarHBondContact O-CB 3.12Å; Q213-K217 PolarHBondContact O-N 3.45Å |
| 214 | Q | 92.1 | Very high | 90.8 | Very high | 85 Ų | 85 | 55.6 Ų | 55.6 | 40% | 0.397 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.2 | -41.5 | 176.2 | -72.6 | 179.2 | -27.7 | 0 | 0 | 111.5 | Q210 R211 Y212 K217 I218 L253 | Q210-Q214 WeakPolarHBondContact O-CG 3.49Å; Q210-Q214 PolarHBondContact O-N 2.94Å; R211-Q214 WeakPolarHBondContact O-CB 3.08Å; R211-Q214 PolarHBondContact O-N 3.25Å; R211-Q214 VanDerWaalsContact O-N 3.11Å; Y212-Q214 VanDerWaalsContact C-N 3.34Å; Q214-K217 WeakPolarHBondContact O-CB 3.22Å; Q214-K217 PolarHBondContact O-N 2.87Å; Q214-I218 WeakPolarHBondContact O-CG1 3.48Å; Q214-I218 PolarHBondContact O-N 3.35Å; Q214-L253 HydrophobicContact CB-CD1 3.55Å; Q214-L253 HydrophobicContact CB-CD2 4.24Å; Q214-L253 VanDerWaalsContact OE1-CD2 3.26Å |
| 215 | Q | 90.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.5 | -50 | 174.4 | -69.3 | 178.5 | 1.3 | 0 | 0 | 111.2 | Y193 R211 Y212 K217 I218 M219 L250 L253 G254 Q255 | Y193-Q215 PolarHBondContact OH-OE1 3.23Å; R211-Q215 WeakPolarHBondContact O-CG 3.46Å; R211-Q215 PolarHBondContact O-N 3.08Å; Y212-Q215 PolarHBondContact O-N 3.31Å; Q215-K217 VanDerWaalsContact C-N 3.27Å; Q215-K217 PolarHBondContact O-N 3.49Å; Q215-I218 PolarHBondContact O-N 3.42Å; Q215-M219 WeakPolarHBondContact O-CG 3.48Å; Q215-M219 PolarHBondContact O-N 2.88Å; Q215-L250 HydrophobicContact CB-CD1 3.68Å; Q215-L250 HydrophobicContact CG-CD1 3.84Å; Q215-L253 HydrophobicContact CG-CB 3.69Å; Q215-L253 HydrophobicContact CG-CD1 3.84Å; Q215-L253 HydrophobicContact CG-CG 4.45Å; Q215-L253 PolarHBondContact NE2-O 2.85Å; Q215-L253 VanDerWaalsContact NE2-O 3.11Å; Q215-G254 PolarHBondContact NE2-O 3.03Å; Q215-Q255 PolarHBondContact NE2-O 2.79Å |
| 216 | A | 90.9 | Very high | 90.7 | Very high | 18 Ų | 18 | 53.7 Ų | 53.7 | 15% | 0.149 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.8 | -39.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y193 Y212 G220 | Y193-A216 HydrophobicContact CD1-CB 3.64Å; Y193-A216 HydrophobicContact CD2-CB 4.35Å; Y193-A216 HydrophobicContact CE1-CB 4.23Å; Y193-A216 HydrophobicContact CG-CB 3.69Å; Y212-A216 WeakPolarHBondContact O-CB 3.18Å; Y212-A216 PolarHBondContact O-N 3.19Å; A216-G220 PolarHBondContact O-N 3.33Å |
| 217 | K | 93.3 | Very high | 90.7 | Very high | 141 Ų | 141 | 53.6 Ų | 53.6 | 61% | 0.613 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -63.9 | -48.2 | 176.6 | -175.7 | -175.6 | 175.6 | -172.9 | 0 | 111.5 | Q213 Q214 Q215 G220 D221 | Q213-K217 WeakPolarHBondContact O-CB 3.12Å; Q213-K217 PolarHBondContact O-N 3.45Å; Q214-K217 WeakPolarHBondContact O-CB 3.22Å; Q214-K217 PolarHBondContact O-N 2.87Å; Q215-K217 VanDerWaalsContact C-N 3.27Å; Q215-K217 PolarHBondContact O-N 3.49Å; K217-G220 PolarHBondContact O-N 2.73Å; K217-D221 VanDerWaalsContact O-CG 3.32Å; K217-D221 PolarHBondContact O-N 2.84Å |
| 218 | I | 92.8 | Very high | 90.4 | Very high | 22 Ų | 22 | 51.7 Ų | 51.7 | 11% | 0.113 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -47.8 | 179.8 | -69.2 | 172.6 | 0 | 0 | 0 | 110.5 | Q214 Q215 G220 D221 I222 L246 K249 L250 L253 | Q214-I218 WeakPolarHBondContact O-CG1 3.48Å; Q214-I218 PolarHBondContact O-N 3.35Å; Q215-I218 PolarHBondContact O-N 3.42Å; I218-G220 VanDerWaalsContact C-N 3.28Å; I218-G220 PolarHBondContact O-N 3.47Å; I218-D221 PolarHBondContact O-N 3.42Å; I218-I222 HydrophobicContact CG2-CD1 4.04Å; I218-I222 HydrophobicContact CG2-CG1 4.5Å; I218-I222 WeakPolarHBondContact O-CG1 3.48Å; I218-I222 PolarHBondContact O-N 3.19Å; I218-L246 HydrophobicContact CG2-CB 4.02Å; I218-L246 HydrophobicContact CG2-CD2 4.3Å; I218-L246 VanDerWaalsContact CG2-O 3.26Å; I218-L246 WeakPolarHBondContact CG2-O 3.18Å; I218-K249 HydrophobicContact CD1-CB 3.87Å; I218-L250 HydrophobicContact CB-CD1 4.26Å; I218-L250 HydrophobicContact CG2-CB 3.92Å; I218-L250 HydrophobicContact CG2-CD1 4.25Å; I218-L253 HydrophobicContact CD1-CD1 3.52Å |
| 219 | M | 90.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.7 | -42.5 | 176.5 | -67.5 | 176.9 | 165.6 | 0 | 0 | 111.6 | L186 I189 T190 Y193 Q215 D221 I222 C223 L250 P256 F270 | L186-M219 HydrophobicContact CD2-CB 4.37Å; L186-M219 HydrophobicContact CD2-CE 4.48Å; L186-M219 HydrophobicContact CD2-CG 4.02Å; L186-M219 HydrophobicContact CD2-SD 4.45Å; I189-M219 HydrophobicContact CG2-CE 4.15Å; I189-M219 HydrophobicContact CG2-SD 3.72Å; T190-M219 WeakPolarHBondContact OG1-CB 3.19Å; Y193-M219 HydrophobicContact CD2-SD 4.12Å; Y193-M219 HydrophobicContact CE2-CE 4.15Å; Y193-M219 HydrophobicContact CE2-SD 3.48Å; Y193-M219 WeakPolarHBondContact CE2-SD 3.45Å; Q215-M219 WeakPolarHBondContact O-CG 3.48Å; Q215-M219 PolarHBondContact O-N 2.88Å; M219-D221 PolarHBondContact O-N 3.07Å; M219-I222 PolarHBondContact O-N 3.06Å; M219-C223 PolarHBondContact O-N 3.16Å; M219-C223 PolarHBondContact O-SG 3.47Å; M219-C223 VanDerWaalsContact O-SG 3.38Å; M219-L250 HydrophobicContact CE-CD1 4.12Å; M219-L250 HydrophobicContact CE-CD2 3.76Å; M219-L250 HydrophobicContact CE-CG 4.4Å; M219-L250 HydrophobicContact CG-CD1 3.94Å; M219-L250 HydrophobicContact CG-CD2 3.73Å; M219-P256 HydrophobicContact CE-CB 4.11Å; M219-P256 HydrophobicContact CE-CG 4.4Å; M219-F270 HydrophobicContact CE-CE2 4.26Å; M219-F270 HydrophobicContact CE-CZ 3.98Å |
| 220 | G | 91.1 | Very high | 88.6 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 13% | 0.134 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.3 | -34.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A216 K217 I218 C223 K224 | A216-G220 PolarHBondContact O-N 3.33Å; K217-G220 PolarHBondContact O-N 2.73Å; I218-G220 VanDerWaalsContact C-N 3.28Å; I218-G220 PolarHBondContact O-N 3.47Å; G220-C223 PolarHBondContact O-N 3.47Å; G220-K224 WeakPolarHBondContact O-CG 3.35Å; G220-K224 PolarHBondContact O-N 3.1Å; G220-K224 VanDerWaalsContact O-N 3.14Å |
| 221 | D | 92.6 | Very high | 87 | Confident | 49 Ų | 49 | 60.2 Ų | 60.2 | 26% | 0.262 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -71 | -36.2 | 175.6 | -70 | -21.1 | 0 | 0 | 0 | 111.4 | K217 I218 M219 K224 L225 L246 | K217-D221 VanDerWaalsContact O-CG 3.32Å; K217-D221 PolarHBondContact O-N 2.84Å; I218-D221 PolarHBondContact O-N 3.42Å; M219-D221 PolarHBondContact O-N 3.07Å; D221-K224 PolarHBondContact O-N 3.36Å; D221-K224 IonicContact OD1-NZ 3.57Å; D221-K224 PolarHBondContact OD1-NZ 2.8Å; D221-L225 WeakPolarHBondContact O-CG 3.24Å; D221-L225 PolarHBondContact O-N 2.97Å; D221-L246 HydrophobicContact CB-CD1 4.24Å |
| 222 | I | 90.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 171.6 | -63.8 | 169.9 | 0 | 0 | 0 | 110.8 | L182 L186 I218 M219 K224 L225 F226 I243 L246 M247 | L182-I222 HydrophobicContact CD2-CG2 4.47Å; L186-I222 HydrophobicContact CD1-CB 3.99Å; L186-I222 HydrophobicContact CD1-CD1 4.38Å; L186-I222 HydrophobicContact CD1-CG2 3.4Å; I218-I222 HydrophobicContact CG2-CD1 4.04Å; I218-I222 HydrophobicContact CG2-CG1 4.5Å; I218-I222 WeakPolarHBondContact O-CG1 3.48Å; I218-I222 PolarHBondContact O-N 3.19Å; M219-I222 PolarHBondContact O-N 3.06Å; I222-K224 VanDerWaalsContact C-N 3.29Å; I222-K224 PolarHBondContact O-N 3.45Å; I222-L225 WeakPolarHBondContact O-CB 3.32Å; I222-L225 PolarHBondContact O-N 3.45Å; I222-L225 VanDerWaalsContact O-N 3.15Å; I222-F226 HydrophobicContact CG2-CD2 3.83Å; I222-F226 HydrophobicContact CG2-CE2 3.49Å; I222-F226 VanDerWaalsContact CG2-CE2 3.49Å; I222-F226 HydrophobicContact CG2-CZ 4.41Å; I222-F226 WeakPolarHBondContact O-CD2 3.25Å; I222-F226 PolarHBondContact O-N 2.84Å; I222-I243 HydrophobicContact CG2-CG1 4.29Å; I222-I243 HydrophobicContact CG2-CG2 4.05Å; I222-L246 HydrophobicContact CD1-CB 3.83Å; I222-L246 HydrophobicContact CG1-CB 3.61Å; I222-L246 HydrophobicContact CG1-CD1 3.69Å; I222-L246 HydrophobicContact CG1-CG 4.31Å; I222-M247 HydrophobicContact CD1-CE 3.72Å; I222-M247 HydrophobicContact CD1-CG 3.99Å; I222-M247 HydrophobicContact CD1-SD 3.88Å |
| 223 | C | 91.2 | Very high | 84.4 | Confident | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.02 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.3 | -42.3 | 175.1 | -69.5 | 0 | 0 | 0 | 0 | 112.1 | Y183 K187 M219 G220 F226 E227 | Y183-C223 HydrophobicContact CD2-CB 4.4Å; Y183-C223 HydrophobicContact CE2-CB 4.1Å; K187-C223 HydrophobicContact CD-CB 4.36Å; M219-C223 PolarHBondContact O-N 3.16Å; M219-C223 PolarHBondContact O-SG 3.47Å; M219-C223 VanDerWaalsContact O-SG 3.38Å; G220-C223 PolarHBondContact O-N 3.47Å; C223-F226 PolarHBondContact O-N 3.42Å; C223-E227 VanDerWaalsContact O-CG 3.25Å; C223-E227 WeakPolarHBondContact O-CG 3.46Å; C223-E227 PolarHBondContact O-N 3.16Å |
| 224 | K | 90.8 | Very high | 83.2 | Confident | 106 Ų | 106 | 68 Ų | 68 | 46% | 0.461 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 177.1 | -68.4 | 169.7 | -158 | 154.1 | 0 | 112.4 | G220 D221 I222 F226 E227 N228 | G220-K224 WeakPolarHBondContact O-CG 3.35Å; G220-K224 PolarHBondContact O-N 3.1Å; G220-K224 VanDerWaalsContact O-N 3.14Å; D221-K224 PolarHBondContact O-N 3.36Å; D221-K224 IonicContact OD1-NZ 3.57Å; D221-K224 PolarHBondContact OD1-NZ 2.8Å; I222-K224 VanDerWaalsContact C-N 3.29Å; I222-K224 PolarHBondContact O-N 3.45Å; K224-F226 VanDerWaalsContact C-N 3.32Å; K224-E227 PolarHBondContact O-N 3.3Å; K224-N228 VanDerWaalsContact O-CB 3.28Å; K224-N228 WeakPolarHBondContact O-CB 3.38Å; K224-N228 PolarHBondContact O-N 2.89Å; K224-N228 PolarHBondContact O-ND2 2.67Å; K224-N228 VanDerWaalsContact O-ND2 3.16Å |
| 225 | L | 90.2 | Very high | 82.3 | Confident | 44 Ų | 44 | 66.6 Ų | 66.6 | 23% | 0.23 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 175.1 | -75.6 | 176.2 | 0 | 0 | 0 | 110.7 | D221 I222 E227 N228 E229 T239 I243 L246 | D221-L225 WeakPolarHBondContact O-CG 3.24Å; D221-L225 PolarHBondContact O-N 2.97Å; I222-L225 WeakPolarHBondContact O-CB 3.32Å; I222-L225 PolarHBondContact O-N 3.45Å; I222-L225 VanDerWaalsContact O-N 3.15Å; L225-E227 PolarHBondContact O-N 3.5Å; L225-N228 PolarHBondContact O-N 2.78Å; L225-E229 PolarHBondContact O-N 3.4Å; L225-T239 HydrophobicContact CB-CG2 4.17Å; L225-I243 HydrophobicContact CB-CD1 4.35Å; L225-I243 HydrophobicContact CB-CG1 4.12Å; L225-I243 HydrophobicContact CD1-CG1 3.84Å; L225-L246 HydrophobicContact CD1-CD1 3.54Å |
| 226 | F | 88.5 | Confident | 81.6 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.009 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 174.1 | -74.5 | -52.3 | 0 | 0 | 0 | 113.6 | L177 K179 L182 Y183 I222 C223 K224 N228 I243 | L177-F226 WeakPolarHBondContact O-CE1 3.37Å; L177-F226 VanDerWaalsContact O-CZ 3.24Å; L177-F226 WeakPolarHBondContact O-CZ 3.26Å; K179-F226 VanDerWaalsContact CA-CE1 3.41Å; K179-F226 HydrophobicContact CB-CD1 3.52Å; K179-F226 HydrophobicContact CB-CE1 3.81Å; K179-F226 HydrophobicContact CB-CG 4.27Å; K179-F226 HydrophobicContact CD-CB 4.21Å; K179-F226 HydrophobicContact CD-CD1 4.33Å; K179-F226 WeakPolarHBondContact CD-O 3.49Å; K179-F226 WeakPolarHBondContact CE-O 3.33Å; K179-F226 HydrophobicContact CG-CB 4.07Å; K179-F226 HydrophobicContact CG-CD1 3.86Å; K179-F226 HydrophobicContact CG-CG 4.15Å; K179-F226 PolarHBondContact NZ-O 2.86Å; L182-F226 HydrophobicContact CB-CE2 4.16Å; L182-F226 HydrophobicContact CB-CZ 4.09Å; L182-F226 HydrophobicContact CD2-CE2 3.82Å; L182-F226 HydrophobicContact CD2-CZ 3.83Å; L182-F226 HydrophobicContact CG-CE2 4.03Å; L182-F226 HydrophobicContact CG-CZ 4.28Å; Y183-F226 HydrophobicContact CD2-CB 3.66Å; Y183-F226 AromaticContact CD2-CD2 4Å; Y183-F226 HydrophobicContact CD2-CD2 4Å; Y183-F226 HydrophobicContact CD2-CG 4.2Å; Y183-F226 HydrophobicContact CE2-CB 4.31Å; Y183-F226 HydrophobicContact CG-CB 4.29Å; Y183-F226 HydrophobicContact CG-CD2 4.46Å; I222-F226 HydrophobicContact CG2-CD2 3.83Å; I222-F226 HydrophobicContact CG2-CE2 3.49Å; I222-F226 VanDerWaalsContact CG2-CE2 3.49Å; I222-F226 HydrophobicContact CG2-CZ 4.41Å; I222-F226 WeakPolarHBondContact O-CD2 3.25Å; I222-F226 PolarHBondContact O-N 2.84Å; C223-F226 PolarHBondContact O-N 3.42Å; K224-F226 VanDerWaalsContact C-N 3.32Å; F226-N228 VanDerWaalsContact C-N 3.35Å; F226-I243 HydrophobicContact CD1-CD1 3.69Å; F226-I243 HydrophobicContact CD2-CD1 4.43Å; F226-I243 HydrophobicContact CE1-CD1 3.32Å; F226-I243 HydrophobicContact CE2-CD1 4.13Å; F226-I243 HydrophobicContact CG-CD1 4.25Å; F226-I243 HydrophobicContact CZ-CD1 3.58Å; F226-I243 HydrophobicContact CZ-CG2 4.29Å |
| 227 | E | 87.9 | Confident | 81 | Confident | 83 Ų | 83 | 76.9 Ų | 76.9 | 39% | 0.388 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69 | -33.4 | 177.1 | -72.6 | 163.8 | -171.5 | 0 | 0 | 112.4 | Y183 K187 C223 K224 L225 | Y183-E227 HydrophobicContact CE2-CG 3.79Å; Y183-E227 PolarHBondContact OH-OE1 2.77Å; K187-E227 IonicContact NZ-OE1 3.74Å; K187-E227 PolarHBondContact NZ-OE1 3.07Å; C223-E227 VanDerWaalsContact O-CG 3.25Å; C223-E227 WeakPolarHBondContact O-CG 3.46Å; C223-E227 PolarHBondContact O-N 3.16Å; K224-E227 PolarHBondContact O-N 3.3Å; L225-E227 PolarHBondContact O-N 3.5Å |
| 228 | N | 83.8 | Confident | 80.6 | Confident | 122 Ų | 122 | 77.5 Ų | 77.5 | 65% | 0.652 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -88.9 | -7.6 | -179.6 | -65.8 | -23.6 | 0 | 0 | 0 | 113.7 | K224 L225 F226 E230 | K224-N228 VanDerWaalsContact O-CB 3.28Å; K224-N228 WeakPolarHBondContact O-CB 3.38Å; K224-N228 PolarHBondContact O-N 2.89Å; K224-N228 PolarHBondContact O-ND2 2.67Å; K224-N228 VanDerWaalsContact O-ND2 3.16Å; L225-N228 PolarHBondContact O-N 2.78Å; F226-N228 VanDerWaalsContact C-N 3.35Å; N228-E230 PolarHBondContact O-N 3.22Å |
| 229 | E | 75.6 | Confident | 80.2 | Confident | 45 Ų | 45 | 77.3 Ų | 77.3 | 21% | 0.21 | 38% | 0.379 | C | S | . | . | trans | -64.4 | 96.4 | 175.3 | -167.9 | -177.6 | 96.3 | 0 | 0 | 109.2 | L225 K236 T239 | L225-E229 PolarHBondContact O-N 3.4Å; E229-K236 HydrophobicContact CG-CG 4.02Å; E229-T239 HydrophobicContact CB-CG2 4.34Å; E229-T239 HydrophobicContact CG-CG2 4.33Å; E229-T239 WeakPolarHBondContact OE2-CG2 3.44Å | ||
| 230 | E | 63.1 | Low | 80 | Confident | 150 Ų | 150 | 79 Ų | 79 | 70% | 0.701 | 39% | 0.386 | S | S | * | . | trans | -74 | 155.3 | 167.6 | -77.8 | -177.7 | 118.5 | 0 | 0 | 109.9 | N228 E232 | N228-E230 PolarHBondContact O-N 3.22Å; E230-E232 PolarHBondContact O-N 3.01Å | ||
| 231 | E | 58.4 | Low | 79.7 | Confident | 179 Ų | 179 | 84.6 Ų | 84.6 | 84% | 0.836 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -65.7 | -0.1 | -167.7 | -71.3 | -146.1 | 137.5 | 0 | 0 | 116.2 | ||
| 232 | E | 63.5 | Low | 79.6 | Confident | 137 Ų | 137 | 84.8 Ų | 84.8 | 64% | 0.64 | 41% | 0.414 | S | S | * | . | trans | -71.6 | 131.9 | -179.6 | -63.9 | -162.2 | 158.8 | 0 | 0 | 112.4 | E230 E234 D235 K236 | E230-E232 PolarHBondContact O-N 3.01Å; E232-E234 VanDerWaalsContact C-N 3.32Å; E232-E234 PolarHBondContact O-N 2.92Å; E232-D235 PolarHBondContact O-N 3.47Å; E232-K236 PolarHBondContact O-N 3.31Å | ||
| 233 | A | 62.8 | Low | 79.5 | Confident | 80 Ų | 80 | 84.9 Ų | 84.9 | 66% | 0.661 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.8 | -30 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | D235 | A233-D235 VanDerWaalsContact C-N 3.34Å |
| 234 | E | 66.1 | Low | 79.2 | Confident | 148 Ų | 148 | 89 Ų | 89 | 69% | 0.692 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -70.8 | -29 | 177.8 | -74.5 | -171.8 | 81.3 | 0 | 0 | 112.7 | E232 | E232-E234 VanDerWaalsContact C-N 3.32Å; E232-E234 PolarHBondContact O-N 2.92Å |
| 235 | D | 73 | Confident | 79 | Confident | 57 Ų | 57 | 87.9 Ų | 87.9 | 31% | 0.305 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -81.7 | -25 | 178.8 | -74.3 | -33.7 | 0 | 0 | 0 | 112.1 | E232 A233 T239 | E232-D235 PolarHBondContact O-N 3.47Å; A233-D235 VanDerWaalsContact C-N 3.34Å; D235-T239 WeakPolarHBondContact O-CB 2.97Å; D235-T239 PolarHBondContact O-N 2.75Å; D235-T239 PolarHBondContact O-OG1 3.23Å |
| 236 | K | 75.8 | Confident | 79 | Confident | 88 Ų | 88 | 87.1 Ų | 87.1 | 38% | 0.383 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 175.2 | -72.2 | -177.9 | 176.6 | 175.1 | 0 | 113.3 | E229 E232 T239 F240 | E229-K236 HydrophobicContact CG-CG 4.02Å; E232-K236 PolarHBondContact O-N 3.31Å; K236-T239 PolarHBondContact O-N 3.01Å; K236-F240 WeakPolarHBondContact O-CB 3.23Å; K236-F240 PolarHBondContact O-N 2.84Å |
| 237 | E | 80.2 | Confident | 78.8 | Confident | 145 Ų | 145 | 87.9 Ų | 87.9 | 68% | 0.678 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.2 | -44.2 | 177.6 | -102.8 | 180 | 158.8 | 0 | 0 | 111.7 | T239 F240 E241 | E237-T239 VanDerWaalsContact C-N 3.35Å; E237-T239 PolarHBondContact O-N 3.16Å; E237-F240 PolarHBondContact O-N 2.89Å; E237-E241 WeakPolarHBondContact O-CG 3.35Å; E237-E241 PolarHBondContact O-N 3.27Å |
| 238 | R | 84.2 | Confident | 78.6 | Confident | 155 Ų | 155 | 87.4 Ų | 87.4 | 59% | 0.585 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -66.2 | -37.9 | 176.8 | -67.6 | -174.2 | -174.9 | 159.8 | 8.9 | 112.7 | S242 | R238-S242 WeakPolarHBondContact O-CB 3.24Å; R238-S242 PolarHBondContact O-N 2.9Å; R238-S242 PolarHBondContact O-OG 2.89Å |
| 239 | T | 85.1 | Confident | 78.6 | Confident | 18 Ų | 18 | 86 Ų | 86 | 11% | 0.11 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 176.3 | -61.9 | 0 | 0 | 0 | 0 | 109.9 | L225 E229 D235 K236 E237 S242 I243 | L225-T239 HydrophobicContact CB-CG2 4.17Å; E229-T239 HydrophobicContact CB-CG2 4.34Å; E229-T239 HydrophobicContact CG-CG2 4.33Å; E229-T239 WeakPolarHBondContact OE2-CG2 3.44Å; D235-T239 WeakPolarHBondContact O-CB 2.97Å; D235-T239 PolarHBondContact O-N 2.75Å; D235-T239 PolarHBondContact O-OG1 3.23Å; K236-T239 PolarHBondContact O-N 3.01Å; E237-T239 VanDerWaalsContact C-N 3.35Å; E237-T239 PolarHBondContact O-N 3.16Å; T239-S242 WeakPolarHBondContact O-CB 3.47Å; T239-S242 PolarHBondContact O-N 3.4Å; T239-I243 HydrophobicContact CG2-CD1 3.7Å; T239-I243 HydrophobicContact CG2-CG1 4.38Å; T239-I243 WeakPolarHBondContact O-CB 3.41Å; T239-I243 WeakPolarHBondContact O-CG1 3.23Å; T239-I243 PolarHBondContact O-N 3.14Å |
| 240 | F | 84.5 | Confident | 79.1 | Confident | 35 Ų | 35 | 84 Ų | 84 | 15% | 0.154 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59 | -49.6 | 174.8 | 177.2 | -98.4 | 0 | 0 | 0 | 112.6 | Q174 L177 K236 E237 S242 I243 M244 | Q174-F240 HydrophobicContact CB-CE2 4.24Å; Q174-F240 HydrophobicContact CB-CZ 4.35Å; Q174-F240 HydrophobicContact CG-CD2 4.43Å; Q174-F240 HydrophobicContact CG-CE1 3.93Å; Q174-F240 HydrophobicContact CG-CE2 3.76Å; Q174-F240 HydrophobicContact CG-CZ 3.47Å; Q174-F240 VanDerWaalsContact CG-CZ 3.47Å; L177-F240 HydrophobicContact CB-CD2 4.45Å; L177-F240 HydrophobicContact CB-CE2 3.92Å; L177-F240 HydrophobicContact CD1-CE2 3.86Å; L177-F240 HydrophobicContact CD1-CZ 4.21Å; L177-F240 HydrophobicContact CG-CE2 4.48Å; K236-F240 WeakPolarHBondContact O-CB 3.23Å; K236-F240 PolarHBondContact O-N 2.84Å; E237-F240 PolarHBondContact O-N 2.89Å; F240-S242 VanDerWaalsContact C-N 3.27Å; F240-S242 PolarHBondContact O-N 3.21Å; F240-I243 PolarHBondContact O-N 3.49Å; F240-M244 HydrophobicContact CE1-SD 4.25Å; F240-M244 HydrophobicContact CZ-SD 4.42Å; F240-M244 WeakPolarHBondContact O-CB 3.34Å; F240-M244 PolarHBondContact O-N 2.98Å |
| 241 | E | 86.6 | Confident | 80 | Confident | 130 Ų | 130 | 79 Ų | 79 | 61% | 0.607 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -58.4 | -40.3 | 176.6 | -73.3 | -174 | 163.1 | 0 | 0 | 112 | E237 M244 D245 | E237-E241 WeakPolarHBondContact O-CG 3.35Å; E237-E241 PolarHBondContact O-N 3.27Å; E241-M244 PolarHBondContact O-N 3.45Å; E241-D245 PolarHBondContact O-N 2.94Å |
| 242 | S | 89.1 | Confident | 81.1 | Confident | 54 Ų | 54 | 75.3 Ų | 75.3 | 38% | 0.378 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 177.5 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | R238 T239 F240 M244 D245 L246 | R238-S242 WeakPolarHBondContact O-CB 3.24Å; R238-S242 PolarHBondContact O-N 2.9Å; R238-S242 PolarHBondContact O-OG 2.89Å; T239-S242 WeakPolarHBondContact O-CB 3.47Å; T239-S242 PolarHBondContact O-N 3.4Å; F240-S242 VanDerWaalsContact C-N 3.27Å; F240-S242 PolarHBondContact O-N 3.21Å; S242-M244 VanDerWaalsContact C-N 3.34Å; S242-D245 PolarHBondContact O-N 3.43Å; S242-L246 WeakPolarHBondContact O-CG 3.45Å; S242-L246 PolarHBondContact O-N 2.89Å |
| 243 | I | 88.3 | Confident | 82.1 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 175.9 | -70.2 | 167.1 | 0 | 0 | 0 | 110.4 | L182 I222 L225 F226 T239 F240 L246 M247 | L182-I243 HydrophobicContact CD2-CG2 4.33Å; I222-I243 HydrophobicContact CG2-CG1 4.29Å; I222-I243 HydrophobicContact CG2-CG2 4.05Å; L225-I243 HydrophobicContact CB-CD1 4.35Å; L225-I243 HydrophobicContact CB-CG1 4.12Å; L225-I243 HydrophobicContact CD1-CG1 3.84Å; F226-I243 HydrophobicContact CD1-CD1 3.69Å; F226-I243 HydrophobicContact CD2-CD1 4.43Å; F226-I243 HydrophobicContact CE1-CD1 3.32Å; F226-I243 HydrophobicContact CE2-CD1 4.13Å; F226-I243 HydrophobicContact CG-CD1 4.25Å; F226-I243 HydrophobicContact CZ-CD1 3.58Å; F226-I243 HydrophobicContact CZ-CG2 4.29Å; T239-I243 HydrophobicContact CG2-CD1 3.7Å; T239-I243 HydrophobicContact CG2-CG1 4.38Å; T239-I243 WeakPolarHBondContact O-CB 3.41Å; T239-I243 WeakPolarHBondContact O-CG1 3.23Å; T239-I243 PolarHBondContact O-N 3.14Å; F240-I243 PolarHBondContact O-N 3.49Å; I243-L246 PolarHBondContact O-N 3.38Å; I243-M247 HydrophobicContact CG2-CG 4.43Å; I243-M247 WeakPolarHBondContact O-CB 3.19Å; I243-M247 WeakPolarHBondContact O-CG 3.17Å; I243-M247 PolarHBondContact O-N 2.89Å |
| 244 | M | 85 | Confident | 82.9 | Confident | 89 Ų | 89 | 66.9 Ų | 66.9 | 44% | 0.438 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 177.3 | -169 | 169.2 | 75.4 | 0 | 0 | 111.7 | F240 E241 S242 M247 Q248 | F240-M244 HydrophobicContact CE1-SD 4.25Å; F240-M244 HydrophobicContact CZ-SD 4.42Å; F240-M244 WeakPolarHBondContact O-CB 3.34Å; F240-M244 PolarHBondContact O-N 2.98Å; E241-M244 PolarHBondContact O-N 3.45Å; S242-M244 VanDerWaalsContact C-N 3.34Å; M244-M247 PolarHBondContact O-N 3.17Å; M244-Q248 PolarHBondContact O-N 3.35Å |
| 245 | D | 87.4 | Confident | 83.5 | Confident | 84 Ų | 84 | 62.2 Ų | 62.2 | 45% | 0.449 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 175.1 | 175.2 | -98.9 | 0 | 0 | 0 | 112.4 | E241 S242 Q248 K249 | E241-D245 PolarHBondContact O-N 2.94Å; S242-D245 PolarHBondContact O-N 3.43Å; D245-Q248 PolarHBondContact O-N 2.82Å; D245-K249 WeakPolarHBondContact O-CG 3.16Å; D245-K249 PolarHBondContact O-N 3.3Å; D245-K249 WeakPolarHBondContact OD1-CE 3.34Å; D245-K249 IonicContact OD1-NZ 2.82Å; D245-K249 PolarHBondContact OD1-NZ 2.87Å; D245-K249 IonicContact OD2-NZ 2.66Å |
| 246 | L | 89.3 | Confident | 83.8 | Confident | 28 Ų | 28 | 59.9 Ų | 59.9 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66 | -38.9 | 175.5 | -73 | 177.4 | 0 | 0 | 0 | 112.1 | I218 D221 I222 L225 S242 I243 K249 L250 | I218-L246 HydrophobicContact CG2-CB 4.02Å; I218-L246 HydrophobicContact CG2-CD2 4.3Å; I218-L246 VanDerWaalsContact CG2-O 3.26Å; I218-L246 WeakPolarHBondContact CG2-O 3.18Å; D221-L246 HydrophobicContact CB-CD1 4.24Å; I222-L246 HydrophobicContact CD1-CB 3.83Å; I222-L246 HydrophobicContact CG1-CB 3.61Å; I222-L246 HydrophobicContact CG1-CD1 3.69Å; I222-L246 HydrophobicContact CG1-CG 4.31Å; L225-L246 HydrophobicContact CD1-CD1 3.54Å; S242-L246 WeakPolarHBondContact O-CG 3.45Å; S242-L246 PolarHBondContact O-N 2.89Å; I243-L246 PolarHBondContact O-N 3.38Å; L246-K249 PolarHBondContact O-N 2.93Å; L246-L250 WeakPolarHBondContact O-CB 3.31Å; L246-L250 PolarHBondContact O-N 3.31Å |
| 247 | M | 84.4 | Confident | 84.1 | Confident | 18 Ų | 18 | 55.9 Ų | 55.9 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 175.4 | -83.1 | -60.8 | -177.3 | 0 | 0 | 112.5 | L177 L182 L186 I222 I243 M244 K249 L250 Q251 F268 F270 | L177-M247 HydrophobicContact CD2-CG 3.92Å; L182-M247 HydrophobicContact CD1-CE 3.68Å; L182-M247 HydrophobicContact CD2-CE 3.34Å; L182-M247 HydrophobicContact CG-CE 3.98Å; L186-M247 HydrophobicContact CD1-CE 3.63Å; L186-M247 HydrophobicContact CD2-CE 4.12Å; L186-M247 HydrophobicContact CG-CE 4.29Å; I222-M247 HydrophobicContact CD1-CE 3.72Å; I222-M247 HydrophobicContact CD1-CG 3.99Å; I222-M247 HydrophobicContact CD1-SD 3.88Å; I243-M247 HydrophobicContact CG2-CG 4.43Å; I243-M247 WeakPolarHBondContact O-CB 3.19Å; I243-M247 WeakPolarHBondContact O-CG 3.17Å; I243-M247 PolarHBondContact O-N 2.89Å; M244-M247 PolarHBondContact O-N 3.17Å; M247-K249 VanDerWaalsContact C-N 3.32Å; M247-K249 PolarHBondContact O-N 3.46Å; M247-L250 HydrophobicContact CE-CD2 4.49Å; M247-L250 WeakPolarHBondContact O-CB 3.23Å; M247-L250 PolarHBondContact O-N 2.89Å; M247-L250 HydrophobicContact SD-CD2 3.79Å; M247-Q251 WeakPolarHBondContact O-CB 3.28Å; M247-Q251 PolarHBondContact O-N 3.41Å; M247-F268 HydrophobicContact CE-CE1 3.57Å; M247-F268 HydrophobicContact CE-CZ 3.41Å; M247-F268 VanDerWaalsContact CE-CZ 3.41Å; M247-F268 HydrophobicContact CG-CZ 4.35Å; M247-F268 HydrophobicContact SD-CE1 3.92Å; M247-F268 HydrophobicContact SD-CZ 3.68Å; M247-F270 HydrophobicContact SD-CE1 4.5Å |
| 248 | Q | 83.6 | Confident | 83.8 | Confident | 73 Ų | 73 | 57.4 Ų | 57.4 | 34% | 0.341 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 173.4 | -174.7 | 62.3 | 61.5 | 0 | 0 | 111.1 | M244 D245 L250 Q251 D252 | M244-Q248 PolarHBondContact O-N 3.35Å; D245-Q248 PolarHBondContact O-N 2.82Å; Q248-L250 VanDerWaalsContact C-N 3.31Å; Q248-L250 PolarHBondContact O-N 2.78Å; Q248-Q251 WeakPolarHBondContact O-CB 3.21Å; Q248-Q251 PolarHBondContact O-N 3.42Å; Q248-D252 PolarHBondContact NE2-OD1 2.93Å; Q248-D252 VanDerWaalsContact O-CG 3.3Å; Q248-D252 PolarHBondContact O-N 3.38Å |
| 249 | K | 85.7 | Confident | 83.6 | Confident | 93 Ų | 93 | 57 Ų | 57 | 40% | 0.404 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63 | -37.7 | 175.5 | -71.2 | 167.1 | 178.9 | 163 | 0 | 112.4 | I218 D245 L246 M247 Q251 D252 L253 | I218-K249 HydrophobicContact CD1-CB 3.87Å; D245-K249 WeakPolarHBondContact O-CG 3.16Å; D245-K249 PolarHBondContact O-N 3.3Å; D245-K249 WeakPolarHBondContact OD1-CE 3.34Å; D245-K249 IonicContact OD1-NZ 2.82Å; D245-K249 PolarHBondContact OD1-NZ 2.87Å; D245-K249 IonicContact OD2-NZ 2.66Å; L246-K249 PolarHBondContact O-N 2.93Å; M247-K249 VanDerWaalsContact C-N 3.32Å; M247-K249 PolarHBondContact O-N 3.46Å; K249-Q251 VanDerWaalsContact C-N 3.31Å; K249-D252 PolarHBondContact O-N 3.2Å; K249-L253 WeakPolarHBondContact O-CG 3.07Å; K249-L253 PolarHBondContact O-N 3.44Å |
| 250 | L | 85.4 | Confident | 83.2 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 176.3 | -173 | 63.2 | 0 | 0 | 0 | 110.6 | Q215 I218 M219 L246 M247 Q248 L253 F270 | Q215-L250 HydrophobicContact CB-CD1 3.68Å; Q215-L250 HydrophobicContact CG-CD1 3.84Å; I218-L250 HydrophobicContact CB-CD1 4.26Å; I218-L250 HydrophobicContact CG2-CB 3.92Å; I218-L250 HydrophobicContact CG2-CD1 4.25Å; M219-L250 HydrophobicContact CE-CD1 4.12Å; M219-L250 HydrophobicContact CE-CD2 3.76Å; M219-L250 HydrophobicContact CE-CG 4.4Å; M219-L250 HydrophobicContact CG-CD1 3.94Å; M219-L250 HydrophobicContact CG-CD2 3.73Å; L246-L250 WeakPolarHBondContact O-CB 3.31Å; L246-L250 PolarHBondContact O-N 3.31Å; M247-L250 HydrophobicContact CE-CD2 4.49Å; M247-L250 WeakPolarHBondContact O-CB 3.23Å; M247-L250 PolarHBondContact O-N 2.89Å; M247-L250 HydrophobicContact SD-CD2 3.79Å; Q248-L250 VanDerWaalsContact C-N 3.31Å; Q248-L250 PolarHBondContact O-N 2.78Å; L250-L253 PolarHBondContact O-N 3.49Å; L250-F270 HydrophobicContact CD2-CE1 3.64Å; L250-F270 HydrophobicContact CD2-CZ 4.01Å; L250-F270 HydrophobicContact CG-CE1 4.3Å |
| 251 | Q | 81 | Confident | 82.3 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 175.2 | -172.9 | 177.7 | -3.5 | 0 | 0 | 111.8 | M247 Q248 K249 L253 G254 M272 L275 | M247-Q251 WeakPolarHBondContact O-CB 3.28Å; M247-Q251 PolarHBondContact O-N 3.41Å; Q248-Q251 WeakPolarHBondContact O-CB 3.21Å; Q248-Q251 PolarHBondContact O-N 3.42Å; K249-Q251 VanDerWaalsContact C-N 3.31Å; Q251-L253 PolarHBondContact O-N 3.14Å; Q251-G254 PolarHBondContact O-N 2.75Å; Q251-M272 HydrophobicContact CG-SD 4.37Å; Q251-M272 WeakPolarHBondContact O-CE 3.5Å; Q251-L275 PolarHBondContact NE2-O 3.16Å |
| 252 | D | 83.1 | Confident | 80.9 | Confident | 102 Ų | 102 | 52.2 Ų | 52.2 | 55% | 0.545 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.5 | -28.1 | 177.1 | -67.5 | -24.5 | 0 | 0 | 0 | 112.7 | Q248 K249 G254 | Q248-D252 PolarHBondContact NE2-OD1 2.93Å; Q248-D252 VanDerWaalsContact O-CG 3.3Å; Q248-D252 PolarHBondContact O-N 3.38Å; K249-D252 PolarHBondContact O-N 3.2Å; D252-G254 PolarHBondContact O-N 3Å |
| 253 | L | 83.6 | Confident | 79.3 | Confident | 31 Ų | 31 | 56.4 Ų | 56.4 | 16% | 0.162 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -7.8 | 174.4 | -66.4 | 173.8 | 0 | 0 | 0 | 113.4 | R211 Q214 Q215 I218 K249 L250 Q251 | R211-L253 WeakPolarHBondContact CD-O 3.49Å; R211-L253 HydrophobicContact CG-CB 4.19Å; R211-L253 HydrophobicContact CG-CD2 4.35Å; R211-L253 WeakPolarHBondContact CG-O 3.31Å; R211-L253 PolarHBondContact NH1-O 3.49Å; R211-L253 VanDerWaalsContact NH1-O 3.12Å; Q214-L253 HydrophobicContact CB-CD1 3.55Å; Q214-L253 HydrophobicContact CB-CD2 4.24Å; Q214-L253 VanDerWaalsContact OE1-CD2 3.26Å; Q215-L253 HydrophobicContact CG-CB 3.69Å; Q215-L253 HydrophobicContact CG-CD1 3.84Å; Q215-L253 HydrophobicContact CG-CG 4.45Å; Q215-L253 PolarHBondContact NE2-O 2.85Å; Q215-L253 VanDerWaalsContact NE2-O 3.11Å; I218-L253 HydrophobicContact CD1-CD1 3.52Å; K249-L253 WeakPolarHBondContact O-CG 3.07Å; K249-L253 PolarHBondContact O-N 3.44Å; L250-L253 PolarHBondContact O-N 3.49Å; Q251-L253 PolarHBondContact O-N 3.14Å |
| 254 | G | 80.5 | Confident | 77.8 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 10% | 0.103 | 30% | 0.298 | C | S | . | . | trans | 93.8 | -175.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q215 Q251 D252 M272 | Q215-G254 PolarHBondContact NE2-O 3.03Å; Q251-G254 PolarHBondContact O-N 2.75Å; D252-G254 PolarHBondContact O-N 3Å; G254-M272 VanDerWaalsContact CA-CE 3.5Å | ||
| 255 | Q | 77.2 | Confident | 76.3 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 23% | 0.234 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 142.8 | -179 | -48.4 | -168.6 | -25.9 | 0 | 0 | 111.1 | Q215 F270 D271 M272 | Q215-Q255 PolarHBondContact NE2-O 2.79Å; Q255-F270 VanDerWaalsContact CG-O 3.31Å; Q255-F270 WeakPolarHBondContact CG-O 3.44Å; Q255-D271 VanDerWaalsContact NE2-CA 3.34Å; Q255-D271 PolarHBondContact NE2-OD2 3.38Å; Q255-M272 HydrophobicContact CG-CB 4.03Å; Q255-M272 VanDerWaalsContact NE2-N 3.15Å |
| 256 | P | 80.2 | Confident | 74.5 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 5% | 0.045 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 160.8 | 165.9 | 28.6 | -32 | 0 | 0 | 0 | 111.2 | Y193 M219 K258 A261 F270 | Y193-P256 WeakPolarHBondContact OH-CB 3.2Å; M219-P256 HydrophobicContact CE-CB 4.11Å; M219-P256 HydrophobicContact CE-CG 4.4Å; P256-K258 PolarHBondContact O-N 3.3Å; P256-A261 HydrophobicContact CG-CB 4.04Å; P256-F270 HydrophobicContact CG-CB 3.88Å; P256-F270 HydrophobicContact CG-CD2 3.51Å; P256-F270 HydrophobicContact CG-CE2 4.12Å; P256-F270 HydrophobicContact CG-CG 3.75Å |
| 257 | P | 80.8 | Confident | 72.8 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.032 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 131 | 175.8 | -25.1 | 35.1 | 0 | 0 | 0 | 111.4 | Y193 W196 Y212 E259 L260 A261 | Y193-P257 HydrophobicContact CE1-CG 4.29Å; Y193-P257 WeakPolarHBondContact OH-CD 3.31Å; W196-P257 HydrophobicContact CD2-CB 4.11Å; W196-P257 HydrophobicContact CD2-CG 4.06Å; W196-P257 HydrophobicContact CE3-CB 4.29Å; W196-P257 HydrophobicContact CE3-CG 3.75Å; W196-P257 HydrophobicContact CH2-CB 3.67Å; W196-P257 HydrophobicContact CH2-CG 3.41Å; W196-P257 VanDerWaalsContact CH2-CG 3.41Å; W196-P257 HydrophobicContact CZ2-CB 3.45Å; W196-P257 VanDerWaalsContact CZ2-CB 3.45Å; W196-P257 HydrophobicContact CZ2-CG 3.76Å; W196-P257 HydrophobicContact CZ3-CB 4.08Å; W196-P257 HydrophobicContact CZ3-CG 3.4Å; W196-P257 VanDerWaalsContact CZ3-CG 3.4Å; Y212-P257 HydrophobicContact CD1-CG 3.78Å; Y212-P257 HydrophobicContact CE1-CG 3.76Å; Y212-P257 HydrophobicContact CG-CG 4.21Å; P257-E259 PolarHBondContact O-N 3.09Å; P257-E259 VanDerWaalsContact O-N 3.09Å; P257-L260 HydrophobicContact CB-CB 4.37Å; P257-L260 HydrophobicContact CB-CD1 4.19Å; P257-L260 HydrophobicContact CB-CG 4.2Å; P257-L260 HydrophobicContact CG-CD1 3.96Å; P257-L260 CarbonylContact O-C 3.6Å; P257-L260 WeakPolarHBondContact O-CA 3.41Å; P257-L260 WeakPolarHBondContact O-CB 3.38Å; P257-L260 PolarHBondContact O-N 3.45Å; P257-A261 PolarHBondContact O-N 3.33Å |
| 258 | K | 74.6 | Confident | 71.4 | Confident | 176 Ų | 176 | 57.1 Ų | 57.1 | 77% | 0.765 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -29.4 | -177.1 | -64.6 | -173.6 | 178.5 | -174.4 | 0 | 113.5 | P256 L260 | P256-K258 PolarHBondContact O-N 3.3Å; K258-L260 VanDerWaalsContact C-N 3.27Å; K258-L260 PolarHBondContact O-N 3.01Å |
| 259 | E | 79.3 | Confident | 70 | Confident | 147 Ų | 147 | 58.4 Ų | 58.4 | 69% | 0.687 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -24.6 | 176.4 | -60.6 | -178.5 | 99.8 | 0 | 0 | 112.9 | W196 P257 | W196-E259 PolarHBondContact NE1-OE2 2.88Å; P257-E259 PolarHBondContact O-N 3.09Å; P257-E259 VanDerWaalsContact O-N 3.09Å |
| 260 | L | 77 | Confident | 68.4 | Low | 10 Ų | 10 | 55.4 Ų | 55.4 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -28.2 | 177.3 | -63.5 | -178.9 | 0 | 0 | 0 | 112.4 | I189 K192 Y193 W196 P257 K258 G262 | I189-L260 WeakPolarHBondContact CG1-O 3.43Å; I189-L260 HydrophobicContact CG2-CB 4.47Å; K192-L260 HydrophobicContact CB-CD2 3.53Å; Y193-L260 HydrophobicContact CD1-CD1 3.75Å; Y193-L260 HydrophobicContact CD2-CD1 3.71Å; Y193-L260 HydrophobicContact CE1-CD1 3.89Å; Y193-L260 HydrophobicContact CE2-CD1 3.82Å; Y193-L260 HydrophobicContact CG-CD1 3.68Å; W196-L260 HydrophobicContact CB-CD1 3.88Å; W196-L260 HydrophobicContact CB-CD2 3.94Å; W196-L260 HydrophobicContact CB-CG 4.18Å; W196-L260 HydrophobicContact CD2-CD1 4.05Å; W196-L260 HydrophobicContact CD2-CG 4.42Å; W196-L260 HydrophobicContact CE3-CD1 4.29Å; W196-L260 HydrophobicContact CG-CD1 3.86Å; W196-L260 HydrophobicContact CG-CD2 4.14Å; W196-L260 HydrophobicContact CG-CG 3.96Å; P257-L260 HydrophobicContact CB-CB 4.37Å; P257-L260 HydrophobicContact CB-CD1 4.19Å; P257-L260 HydrophobicContact CB-CG 4.2Å; P257-L260 HydrophobicContact CG-CD1 3.96Å; P257-L260 CarbonylContact O-C 3.6Å; P257-L260 WeakPolarHBondContact O-CA 3.41Å; P257-L260 WeakPolarHBondContact O-CB 3.38Å; P257-L260 PolarHBondContact O-N 3.45Å; K258-L260 VanDerWaalsContact C-N 3.27Å; K258-L260 PolarHBondContact O-N 3.01Å; L260-G262 PolarHBondContact O-N 3.12Å |
| 261 | A | 67.2 | Low | 66.6 | Low | 24 Ų | 24 | 58.4 Ų | 58.4 | 20% | 0.198 | 33% | 0.332 | C | S | . | . | trans | -74.4 | -2.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | P256 P257 D263 T264 | P256-A261 HydrophobicContact CG-CB 4.04Å; P257-A261 PolarHBondContact O-N 3.33Å; A261-D263 PolarHBondContact O-N 3.32Å; A261-T264 PolarHBondContact O-N 3.43Å | ||
| 262 | G | 57.3 | Low | 64.6 | Low | 48 Ų | 48 | 59.1 Ų | 59.1 | 50% | 0.495 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 124.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L260 | L260-G262 PolarHBondContact O-N 3.12Š|
| 263 | D | 55.6 | Low | 62.7 | Low | 142 Ų | 142 | 60.9 Ų | 60.9 | 76% | 0.759 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 31.1 | -176.5 | -111.3 | -92.4 | 0 | 0 | 0 | 117 | A261 | A261-D263 PolarHBondContact O-N 3.32Š|
| 264 | T | 54.9 | Low | 60.8 | Low | 17 Ų | 17 | 63.6 Ų | 63.6 | 10% | 0.104 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 138.6 | 163.2 | 51 | 0 | 0 | 0 | 0 | 111.1 | I189 A261 F268 N269 F270 | I189-T264 HydrophobicContact CD1-CG2 3.99Å; A261-T264 PolarHBondContact O-N 3.43Å; T264-F268 WeakPolarHBondContact CB-O 3.41Å; T264-F268 PolarHBondContact OG1-O 3.4Å; T264-N269 PolarHBondContact OG1-OD1 3.3Å; T264-F270 HydrophobicContact CG2-CD2 3.83Å; T264-F270 HydrophobicContact CG2-CE2 3.68Å |
| 265 | P | 54.4 | Low | 59 | Low | 20 Ų | 20 | 66.3 Ų | 66.3 | 13% | 0.13 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 146.9 | -178.4 | 13.5 | -21.8 | 0 | 0 | 0 | 111.1 | V181 S185 G267 F268 | V181-P265 HydrophobicContact CG1-CB 4.18Å; V181-P265 HydrophobicContact CG1-CG 4.16Å; S185-P265 WeakPolarHBondContact OG-CD 2.77Å; P265-G267 PolarHBondContact O-N 3.28Å; P265-F268 HydrophobicContact CB-CB 4.47Å; P265-F268 HydrophobicContact CG-CB 3.76Å; P265-F268 HydrophobicContact CG-CG 4.39Å; P265-F268 WeakPolarHBondContact O-CA 3.3Å; P265-F268 VanDerWaalsContact O-CB 3.28Å; P265-F268 WeakPolarHBondContact O-CB 3.46Å; P265-F268 PolarHBondContact O-N 3.45Å |
| 266 | P | 49.5 | Very low | 57.2 | Low | 123 Ų | 123 | 68.9 Ų | 68.9 | 80% | 0.799 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 125.1 | 178 | 20.6 | -29.8 | 0 | 0 | 0 | 110.1 | ||
| 267 | G | 53.6 | Low | 55.2 | Low | 53 Ų | 53 | 73.5 Ų | 73.5 | 55% | 0.546 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.6 | -12.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | P265 | P265-G267 PolarHBondContact O-N 3.28Š|
| 268 | F | 55 | Low | 52.9 | Low | 23 Ų | 23 | 78.1 Ų | 78.1 | 10% | 0.101 | 45% | 0.448 | C | S | . | . | trans | -109.8 | 19.7 | 174.6 | -133.8 | -90.2 | 0 | 0 | 0 | 112.8 | L176 L177 L182 M247 T264 P265 F270 | L176-F268 HydrophobicContact CB-CD2 4.47Å; L177-F268 HydrophobicContact CD2-CE2 3.48Å; L177-F268 VanDerWaalsContact CD2-CE2 3.48Å; L177-F268 HydrophobicContact CD2-CZ 3.68Å; L182-F268 HydrophobicContact CD1-CD1 3.99Å; L182-F268 HydrophobicContact CD1-CD2 4.35Å; L182-F268 HydrophobicContact CD1-CE1 3.58Å; L182-F268 HydrophobicContact CD1-CE2 4Å; L182-F268 HydrophobicContact CD1-CG 4.36Å; L182-F268 HydrophobicContact CD1-CZ 3.61Å; L182-F268 HydrophobicContact CD2-CZ 4.33Å; M247-F268 HydrophobicContact CE-CE1 3.57Å; M247-F268 HydrophobicContact CE-CZ 3.41Å; M247-F268 VanDerWaalsContact CE-CZ 3.41Å; M247-F268 HydrophobicContact CG-CZ 4.35Å; M247-F268 HydrophobicContact SD-CE1 3.92Å; M247-F268 HydrophobicContact SD-CZ 3.68Å; T264-F268 WeakPolarHBondContact CB-O 3.41Å; T264-F268 PolarHBondContact OG1-O 3.4Å; P265-F268 HydrophobicContact CB-CB 4.47Å; P265-F268 HydrophobicContact CG-CB 3.76Å; P265-F268 HydrophobicContact CG-CG 4.39Å; P265-F268 WeakPolarHBondContact O-CA 3.3Å; P265-F268 VanDerWaalsContact O-CB 3.28Å; P265-F268 WeakPolarHBondContact O-CB 3.46Å; P265-F268 PolarHBondContact O-N 3.45Å; F268-F270 HydrophobicContact CD1-CE1 4.14Å; F268-F270 AromaticContact CD1-CE2 3.98Å; F268-F270 HydrophobicContact CD1-CE2 3.98Å; F268-F270 AromaticContact CD1-CZ 3.72Å; F268-F270 HydrophobicContact CD1-CZ 3.72Å; F268-F270 AromaticContact CE1-CE1 3.7Å; F268-F270 HydrophobicContact CE1-CE1 3.7Å; F268-F270 HydrophobicContact CE1-CE2 4.24Å; F268-F270 AromaticContact CE1-CZ 3.5Å; F268-F270 HydrophobicContact CE1-CZ 3.5Å; F268-F270 VanDerWaalsContact CE1-CZ 3.5Å; F268-F270 PolarHBondContact O-N 2.96Å | ||
| 269 | N | 53.6 | Low | 51.1 | Low | 100 Ų | 100 | 73.3 Ų | 73.3 | 54% | 0.535 | 45% | 0.449 | S | S | . | . | trans | -60.3 | 112.2 | 164.2 | -89.6 | -20.6 | 0 | 0 | 0 | 106.5 | T264 D271 L275 | T264-N269 PolarHBondContact OG1-OD1 3.3Å; N269-D271 HydrophobicContact CB-CB 4.35Å; N269-D271 PolarHBondContact O-N 2.98Å; N269-L275 WeakPolarHBondContact O-CD1 3.39Å | ||
| 270 | F | 52.8 | Low | 49.3 | Very low | 29 Ų | 29 | 71 Ų | 71 | 13% | 0.127 | 45% | 0.445 | C | S | . | . | trans | -63.3 | 20.1 | 172.2 | -66.9 | -81.1 | 0 | 0 | 0 | 112.7 | L186 M219 M247 L250 Q255 P256 T264 F268 M272 | L186-F270 HydrophobicContact CD2-CZ 4.49Å; M219-F270 HydrophobicContact CE-CE2 4.26Å; M219-F270 HydrophobicContact CE-CZ 3.98Å; M247-F270 HydrophobicContact SD-CE1 4.5Å; L250-F270 HydrophobicContact CD2-CE1 3.64Å; L250-F270 HydrophobicContact CD2-CZ 4.01Å; L250-F270 HydrophobicContact CG-CE1 4.3Å; Q255-F270 VanDerWaalsContact CG-O 3.31Å; Q255-F270 WeakPolarHBondContact CG-O 3.44Å; P256-F270 HydrophobicContact CG-CB 3.88Å; P256-F270 HydrophobicContact CG-CD2 3.51Å; P256-F270 HydrophobicContact CG-CE2 4.12Å; P256-F270 HydrophobicContact CG-CG 3.75Å; T264-F270 HydrophobicContact CG2-CD2 3.83Å; T264-F270 HydrophobicContact CG2-CE2 3.68Å; F268-F270 HydrophobicContact CD1-CE1 4.14Å; F268-F270 AromaticContact CD1-CE2 3.98Å; F268-F270 HydrophobicContact CD1-CE2 3.98Å; F268-F270 AromaticContact CD1-CZ 3.72Å; F268-F270 HydrophobicContact CD1-CZ 3.72Å; F268-F270 AromaticContact CE1-CE1 3.7Å; F268-F270 HydrophobicContact CE1-CE1 3.7Å; F268-F270 HydrophobicContact CE1-CE2 4.24Å; F268-F270 AromaticContact CE1-CZ 3.5Å; F268-F270 HydrophobicContact CE1-CZ 3.5Å; F268-F270 VanDerWaalsContact CE1-CZ 3.5Å; F268-F270 PolarHBondContact O-N 2.96Å; F270-M272 VanDerWaalsContact C-N 3.32Å; F270-M272 PolarHBondContact O-N 3.27Å | ||
| 271 | D | 48.4 | Very low | 47 | Very low | 65 Ų | 65 | 74.2 Ų | 74.2 | 35% | 0.348 | 48% | 0.48 | S | S | . | . | trans | -66.4 | 96.5 | 178.3 | -152.3 | -100.1 | 0 | 0 | 0 | 107.7 | Q255 N269 D273 S274 L275 | Q255-D271 VanDerWaalsContact NE2-CA 3.34Å; Q255-D271 PolarHBondContact NE2-OD2 3.38Å; N269-D271 HydrophobicContact CB-CB 4.35Å; N269-D271 PolarHBondContact O-N 2.98Å; D271-D273 PolarHBondContact O-N 3.44Å; D271-S274 PolarHBondContact O-N 3.18Å; D271-L275 PolarHBondContact O-N 3.26Å | ||
| 272 | M | 39 | Very low | 45.4 | Very low | 59 Ų | 59 | 77 Ų | 77 | 29% | 0.291 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -44.5 | -32.3 | 179.2 | -176.8 | 70.3 | 77.8 | 0 | 0 | 112.5 | Q251 G254 Q255 F270 S274 N276 | Q251-M272 HydrophobicContact CG-SD 4.37Å; Q251-M272 WeakPolarHBondContact O-CE 3.5Å; G254-M272 VanDerWaalsContact CA-CE 3.5Å; Q255-M272 HydrophobicContact CG-CB 4.03Å; Q255-M272 VanDerWaalsContact NE2-N 3.15Å; F270-M272 VanDerWaalsContact C-N 3.32Å; F270-M272 PolarHBondContact O-N 3.27Å; M272-S274 VanDerWaalsContact C-N 3.33Å; M272-S274 PolarHBondContact O-N 3.42Å; M272-N276 VanDerWaalsContact O-CB 3.23Å; M272-N276 WeakPolarHBondContact O-CB 3.2Å; M272-N276 PolarHBondContact O-N 3.17Å |
| 273 | D | 42 | Very low | 44.4 | Very low | 140 Ų | 140 | 79.8 Ų | 79.8 | 75% | 0.749 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -71.6 | -22.8 | 178 | -67.3 | -81.4 | 0 | 0 | 0 | 114 | D271 | D271-D273 PolarHBondContact O-N 3.44Å |
| 274 | S | 43.1 | Very low | 43.3 | Very low | 88 Ų | 88 | 77 Ų | 77 | 62% | 0.615 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -94.3 | -22.4 | 176.3 | -72.2 | 0 | 0 | 0 | 0 | 114.1 | D271 M272 | D271-S274 PolarHBondContact O-N 3.18Å; M272-S274 VanDerWaalsContact C-N 3.33Å; M272-S274 PolarHBondContact O-N 3.42Å |
| 275 | L | 42.8 | Very low | 42.4 | Very low | 67 Ų | 67 | 80.4 Ų | 80.4 | 35% | 0.351 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -110.3 | -0.8 | -176.8 | -68.3 | 176.3 | 0 | 0 | 0 | 114.3 | Q251 N269 D271 L277 | Q251-L275 PolarHBondContact NE2-O 3.16Å; N269-L275 WeakPolarHBondContact O-CD1 3.39Å; D271-L275 PolarHBondContact O-N 3.26Å; L275-L277 PolarHBondContact O-N 2.95Å |
| 276 | N | 40.9 | Very low | 41.5 | Very low | 104 Ų | 104 | 84.5 Ų | 84.5 | 56% | 0.556 | 60% | 0.6 | S | S | * | * | trans | -67 | 86 | 172.6 | -170 | 18.5 | 0 | 0 | 0 | 109.8 | M272 P278 | M272-N276 VanDerWaalsContact O-CB 3.23Å; M272-N276 WeakPolarHBondContact O-CB 3.2Å; M272-N276 PolarHBondContact O-N 3.17Å; N276-P278 VanDerWaalsContact O-CD 3.28Å; N276-P278 WeakPolarHBondContact O-CD 3.26Å; N276-P278 VanDerWaalsContact O-N 3.15Å | ||
| 277 | L | 38 | Very low | 41 | Very low | 103 Ų | 103 | 87.1 Ų | 87.1 | 54% | 0.539 | 60% | 0.601 | S | S | . | * | trans | -54.3 | 113.9 | 161.8 | -74.2 | 157.2 | 0 | 0 | 0 | 106.9 | L275 G279 | L275-L277 PolarHBondContact O-N 2.95Å; L277-G279 PolarHBondContact O-N 3.27Å | ||
| 278 | P | 33 | Very low | 40.7 | Very low | 102 Ų | 102 | 93.3 Ų | 93.3 | 66% | 0.662 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 96.1 | -178.4 | 26.6 | -30.3 | 0 | 0 | 0 | 108.4 | N276 | N276-P278 VanDerWaalsContact O-CD 3.28Å; N276-P278 WeakPolarHBondContact O-CD 3.26Å; N276-P278 VanDerWaalsContact O-N 3.15Å |
| 279 | G | 35.7 | Very low | 39.8 | Very low | 76 Ų | 76 | 98.7 Ų | 98.7 | 78% | 0.784 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 169.9 | -17.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | L277 | L277-G279 PolarHBondContact O-N 3.27Š|
| 280 | V | 40.6 | Very low | 38.9 | Very low | 99 Ų | 99 | 99 Ų | 99 | 60% | 0.6 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -123.4 | 121.4 | 179.7 | 145.7 | 0 | 0 | 0 | 0 | 110.2 | ||
| 281 | G | 29.1 | Very low | 38 | Very low | 76 Ų | 76 | 103.6 Ų | 103.6 | 78% | 0.784 | 70% | 0.695 | S | S | * | * | trans | 98.7 | 75.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 282 | G | 33.2 | Very low | 37.5 | Very low | 82 Ų | 82 | 112.9 Ų | 112.9 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | trans | -69.7 | 147.4 | 157 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 283 | A | 38.2 | Very low | 37.4 | Very low | 108 Ų | 108 | 115.6 Ų | 115.6 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | trans | 101.9 | 106.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 284 | G | 31.6 | Very low | 37.2 | Very low | 83 Ų | 83 | 114.3 Ų | 114.3 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | trans | 100.9 | 124.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 285 | A | 37.1 | Very low | 36.8 | Very low | 89 Ų | 89 | 115.8 Ų | 115.8 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | cis | -150.8 | 117.4 | 5 | 0 | 0 | 0 | 0 | 0 | 107.3 | E287 | A285-E287 VanDerWaalsContact C-N 3.28Å; A285-E287 PolarHBondContact O-N 3.25Å; A285-E287 VanDerWaalsContact O-N 3.1Å | ||
| 286 | A | 33.6 | Very low | 36.5 | Very low | 106 Ų | 106 | 118.6 Ų | 118.6 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | trans | -81.5 | 81 | 168 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q288 | A286-Q288 VanDerWaalsContact C-N 3.34Å; A286-Q288 PolarHBondContact O-N 2.92Å; A286-Q288 VanDerWaalsContact O-N 3.11Å | ||
| 287 | E | 40.8 | Very low | 36.2 | Very low | 177 Ų | 177 | 119.6 Ų | 119.6 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -72.9 | 97 | 161.2 | -66.2 | -135.8 | 110.7 | 0 | 0 | 108.3 | A285 C289 | A285-E287 VanDerWaalsContact C-N 3.28Å; A285-E287 PolarHBondContact O-N 3.25Å; A285-E287 VanDerWaalsContact O-N 3.1Å; E287-C289 PolarHBondContact O-N 3.05Å | ||
| 288 | Q | 45.7 | Very low | 36.1 | Very low | 184 Ų | 184 | 120.7 Ų | 120.7 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | 13.3 | 98.1 | 140.9 | -63.1 | 170.1 | 30.8 | 0 | 0 | 115.8 | A286 | A286-Q288 VanDerWaalsContact C-N 3.34Å; A286-Q288 PolarHBondContact O-N 2.92Å; A286-Q288 VanDerWaalsContact O-N 3.11Å | ||
| 289 | C | 36.5 | Very low | 36.3 | Very low | 135 Ų | 135 | 122 Ų | 122 | 91% | 0.912 | 84% | 0.84 | S | S | * | * | trans | -99.9 | 110.4 | 148.9 | -85.1 | 0 | 0 | 0 | 0 | 108.7 | E287 | E287-C289 PolarHBondContact O-N 3.05Š| ||
| 290 | S | 34.3 | Very low | 36.4 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 76% | 0.755 | 85% | 0.845 | S | S | * | * | trans | -55.4 | 145.4 | -173.1 | 178.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 291 | V | 34 | Very low | 36 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 76% | 0.758 | 87% | 0.865 | S | S | * | * | trans | -9.8 | 127 | 138.9 | 154.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 292 | M | 38.1 | Very low | 36.6 | Very low | 260 Ų | 260 | 132.5 Ų | 132.5 | 100% | 1.281 | 87% | 0.873 | S | S | * | * | -157.4 | 0 | 127.5 | -110.2 | 174 | 169 | 0 | 0 | 110.9 |
Retrieved 292 of 292 residues in 481.3 ms
(Link to these results)