| 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 | 53.4 | Low | 65.3 | Low | 234 Ų | 234 | 159.5 Ų | 159.5 | 100% | 1.153 | 83% | 0.826 | S | S | * | * | 0 | 93.9 | 0 | -52.1 | -165.7 | -150.6 | 0 | 0 | 105.2 | |||||
| 2 | E | 49.8 | Very low | 63.9 | Low | 177 Ų | 177 | 163.1 Ų | 163.1 | 83% | 0.827 | 83% | 0.831 | S | S | * | * | 53.9 | 119.1 | 94.7 | -93.9 | -172.1 | 118.1 | 0 | 0 | 110.3 | |||||
| 3 | L | 64.5 | Low | 63.5 | Low | 144 Ų | 144 | 165.2 Ų | 165.2 | 75% | 0.754 | 84% | 0.836 | S | S | * | * | cis | -151.8 | 132.1 | 49.9 | -69.1 | 171.6 | 0 | 0 | 0 | 112 | ||||
| 4 | H | 66.4 | Low | 62.8 | Low | 196 Ų | 196 | 166.1 Ų | 166.1 | 91% | 0.907 | 84% | 0.843 | S | S | * | * | trans | -76 | 128.7 | 157 | -91.8 | 70.5 | 0 | 0 | 0 | 108.2 | ||||
| 5 | F | 67.9 | Low | 62.3 | Low | 186 Ų | 186 | 168 Ų | 168 | 82% | 0.816 | 85% | 0.847 | S | S | * | * | trans | -125.9 | 99.7 | 170.5 | -153.9 | -94.6 | 0 | 0 | 0 | 109.3 | P7 | F5-P7 HydrophobicContact CE1-CB 4.41Š| ||
| 6 | Q | 70.2 | Confident | 61.9 | Low | 174 Ų | 174 | 161.1 Ų | 161.1 | 81% | 0.813 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 120.7 | 160.2 | -92.6 | -161.3 | 3.7 | 0 | 0 | 108.3 | ||
| 7 | P | 73.2 | Confident | 61.6 | Low | 107 Ų | 107 | 165.6 Ų | 165.6 | 70% | 0.695 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 124.1 | 163.7 | 29.3 | -26.2 | 0 | 0 | 0 | 110.7 | F5 | F5-P7 HydrophobicContact CE1-CB 4.41Š|
| 8 | Q | 68.9 | Low | 61.3 | Low | 166 Ų | 166 | 163.4 Ų | 163.4 | 78% | 0.776 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 150.3 | 171 | -67.2 | -121.4 | -0.8 | 0 | 0 | 111.5 | ||
| 9 | P | 67.7 | Low | 61.2 | Low | 109 Ų | 109 | 159.4 Ų | 159.4 | 71% | 0.708 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 140.2 | 172.4 | 31.6 | -32.2 | 0 | 0 | 0 | 111.5 | ||
| 10 | P | 70.4 | Confident | 61.4 | Low | 125 Ų | 125 | 155.8 Ų | 155.8 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 147.9 | 175.8 | 29 | -32.5 | 0 | 0 | 0 | 113.1 | ||
| 11 | V | 66.1 | Low | 61.5 | Low | 136 Ų | 136 | 152.3 Ų | 152.3 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 138.5 | -173.9 | 178.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 12 | F | 48.3 | Very low | 62.2 | Low | 203 Ų | 203 | 144.6 Ų | 144.6 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 126.1 | 171.8 | -80.9 | -97.6 | 0 | 0 | 0 | 111.6 | ||
| 13 | Q | 58.2 | Low | 63 | Low | 190 Ų | 190 | 143.1 Ų | 143.1 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | trans | -104.8 | 123.5 | 159.8 | -105.2 | 155.3 | -35 | 0 | 0 | 109.5 | E15 | Q13-E15 PolarHBondContact O-N 3.43Š| ||
| 14 | L | 53.9 | Low | 63.3 | Low | 179 Ų | 179 | 144.4 Ų | 144.4 | 94% | 0.937 | 75% | 0.753 | S | S | * | * | trans | -84.5 | 98.3 | -177.9 | -163.4 | 92.2 | 0 | 0 | 0 | 108.7 | ||||
| 15 | E | 55.4 | Low | 63.5 | Low | 194 Ų | 194 | 142.3 Ų | 142.3 | 91% | 0.907 | 74% | 0.738 | S | S | * | * | trans | -105.9 | 117.2 | 154 | -68.3 | -167.3 | 165.7 | 0 | 0 | 105.5 | Q13 | Q13-E15 PolarHBondContact O-N 3.43Š| ||
| 16 | G | 56.4 | Low | 63.6 | Low | 57 Ų | 57 | 141.4 Ų | 141.4 | 59% | 0.588 | 73% | 0.731 | S | S | * | * | 101.9 | 76.8 | 57 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 17 | Y | 55.9 | Low | 63.5 | Low | 239 Ų | 239 | 139.8 Ų | 139.8 | 94% | 0.937 | 72% | 0.718 | S | S | * | * | trans | 47.6 | 83.1 | 154.2 | -73.1 | -94.6 | 0 | 0 | 0 | 119.2 | ||||
| 18 | T | 57.1 | Low | 63.3 | Low | 125 Ų | 125 | 141.2 Ų | 141.2 | 77% | 0.767 | 72% | 0.715 | S | S | * | * | trans | -140.6 | -3.9 | 151.7 | 63.4 | 0 | 0 | 0 | 0 | 115.2 | S20 S21 | T18-S20 PolarHBondContact O-N 3.42Å; T18-S21 PolarHBondContact O-N 3.21Å | ||
| 19 | S | 59.9 | Low | 63.1 | Low | 87 Ų | 87 | 139.3 Ų | 139.3 | 61% | 0.608 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -66.3 | -27 | -167.3 | -169.7 | 0 | 0 | 0 | 0 | 115.3 | S21 S22 Y23 | S19-S21 PolarHBondContact O-N 3.46Å; S19-S22 PolarHBondContact O-N 3.34Å; S19-Y23 PolarHBondContact O-N 3.29Å |
| 20 | S | 63.7 | Low | 62.9 | Low | 87 Ų | 87 | 139.2 Ų | 139.2 | 61% | 0.608 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -69.3 | -32.9 | -177.3 | -170.2 | 0 | 0 | 0 | 0 | 113.5 | T18 Y24 | T18-S20 PolarHBondContact O-N 3.42Å; S20-Y24 PolarHBondContact O-N 3.28Å |
| 21 | S | 65.4 | Low | 62.5 | Low | 83 Ų | 83 | 136.5 Ų | 136.5 | 58% | 0.58 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -73.4 | -36.5 | 179.5 | -169.4 | 0 | 0 | 0 | 0 | 112.1 | T18 S19 Y23 Y24 Y25 | T18-S21 PolarHBondContact O-N 3.21Å; S19-S21 PolarHBondContact O-N 3.46Å; S21-Y23 VanDerWaalsContact C-N 3.34Å; S21-Y23 PolarHBondContact O-N 3.02Å; S21-Y24 PolarHBondContact O-N 3.33Å; S21-Y25 PolarHBondContact O-N 3.11Å |
| 22 | S | 66.7 | Low | 62.2 | Low | 73 Ų | 73 | 133.7 Ų | 133.7 | 51% | 0.51 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -64.2 | -38.4 | 175.6 | 169.1 | 0 | 0 | 0 | 0 | 112.1 | S19 Y25 Y26 | S19-S22 PolarHBondContact O-N 3.34Å; S22-Y25 PolarHBondContact O-N 3.46Å; S22-Y26 PolarHBondContact O-N 3.42Å; S22-Y26 VanDerWaalsContact O-N 3.11Å |
| 23 | Y | 67.2 | Low | 62.8 | Low | 146 Ų | 146 | 126.9 Ų | 126.9 | 57% | 0.573 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -68.6 | -38.2 | 178.8 | -122.5 | -91.5 | 0 | 0 | 0 | 112.5 | S19 S21 Y27 | S19-Y23 PolarHBondContact O-N 3.29Å; S21-Y23 VanDerWaalsContact C-N 3.34Å; S21-Y23 PolarHBondContact O-N 3.02Å; Y23-Y27 AromaticContact CD1-CD2 4Å; Y23-Y27 HydrophobicContact CD1-CD2 4Å; Y23-Y27 AromaticContact CD1-CE2 3.49Å; Y23-Y27 HydrophobicContact CD1-CE2 3.49Å; Y23-Y27 VanDerWaalsContact CD1-CE2 3.49Å; Y23-Y27 HydrophobicContact CE1-CD2 4.45Å; Y23-Y27 AromaticContact CE1-CE2 3.54Å; Y23-Y27 HydrophobicContact CE1-CE2 3.54Å; Y23-Y27 WeakPolarHBondContact O-CD2 3.27Å; Y23-Y27 PolarHBondContact O-N 3.4Å |
| 24 | Y | 70.5 | Confident | 62.9 | Low | 171 Ų | 171 | 125.9 Ų | 125.9 | 67% | 0.671 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -70.1 | -34.1 | 173.7 | -91.8 | -81.7 | 0 | 0 | 0 | 112.7 | S20 S21 Q28 | S20-Y24 PolarHBondContact O-N 3.28Å; S21-Y24 PolarHBondContact O-N 3.33Å; Y24-Q28 VanDerWaalsContact O-CB 3.27Å; Y24-Q28 WeakPolarHBondContact O-CB 3.5Å; Y24-Q28 PolarHBondContact O-N 3.14Å |
| 25 | Y | 70.4 | Confident | 63 | Low | 152 Ų | 152 | 121 Ų | 121 | 60% | 0.596 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.1 | -33.9 | 176.7 | -119.3 | -88.1 | 0 | 0 | 0 | 113.1 | S21 S22 Q29 | S21-Y25 PolarHBondContact O-N 3.11Å; S22-Y25 PolarHBondContact O-N 3.46Å; Y25-Q29 WeakPolarHBondContact O-CG 3.34Å; Y25-Q29 PolarHBondContact O-N 3.04Å; Y25-Q29 VanDerWaalsContact O-N 3.14Å |
| 26 | Y | 69.4 | Low | 63.2 | Low | 167 Ų | 167 | 120 Ų | 120 | 66% | 0.655 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.8 | -46.7 | 177.4 | -120.8 | -86.9 | 0 | 0 | 0 | 112 | S22 Q28 Q29 E30 | S22-Y26 PolarHBondContact O-N 3.42Å; S22-Y26 VanDerWaalsContact O-N 3.11Å; Y26-Q28 PolarHBondContact O-N 2.92Å; Y26-Q29 PolarHBondContact O-N 3.26Å; Y26-E30 PolarHBondContact O-N 2.94Å |
| 27 | Y | 69.8 | Low | 63.4 | Low | 140 Ų | 140 | 122.7 Ų | 122.7 | 55% | 0.549 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -68.9 | -33.2 | 178.6 | -77.9 | -58.7 | 0 | 0 | 0 | 113.2 | Y23 E30 A31 | Y23-Y27 AromaticContact CD1-CD2 4Å; Y23-Y27 HydrophobicContact CD1-CD2 4Å; Y23-Y27 AromaticContact CD1-CE2 3.49Å; Y23-Y27 HydrophobicContact CD1-CE2 3.49Å; Y23-Y27 VanDerWaalsContact CD1-CE2 3.49Å; Y23-Y27 HydrophobicContact CE1-CD2 4.45Å; Y23-Y27 AromaticContact CE1-CE2 3.54Å; Y23-Y27 HydrophobicContact CE1-CE2 3.54Å; Y23-Y27 WeakPolarHBondContact O-CD2 3.27Å; Y23-Y27 PolarHBondContact O-N 3.4Å; Y27-E30 PolarHBondContact O-N 3.38Å; Y27-A31 WeakPolarHBondContact O-CB 3.44Å; Y27-A31 PolarHBondContact O-N 3.46Å |
| 28 | Q | 68.3 | Low | 63.5 | Low | 136 Ų | 136 | 116.9 Ų | 116.9 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -73 | -30.5 | 177.5 | -151.5 | 163.6 | 55.4 | 0 | 0 | 111.9 | Y24 Y26 A32 | Y24-Q28 VanDerWaalsContact O-CB 3.27Å; Y24-Q28 WeakPolarHBondContact O-CB 3.5Å; Y24-Q28 PolarHBondContact O-N 3.14Å; Y26-Q28 PolarHBondContact O-N 2.92Å; Q28-A32 WeakPolarHBondContact O-CB 3.39Å; Q28-A32 PolarHBondContact O-N 3.11Å; Q28-A32 VanDerWaalsContact O-N 3.11Å |
| 29 | Q | 63.5 | Low | 63.5 | Low | 126 Ų | 126 | 119.3 Ų | 119.3 | 59% | 0.589 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.6 | -38.3 | 169.3 | -81.7 | -176.4 | 26.9 | 0 | 0 | 112.8 | Y25 Y26 A32 A33 | Y25-Q29 WeakPolarHBondContact O-CG 3.34Å; Y25-Q29 PolarHBondContact O-N 3.04Å; Y25-Q29 VanDerWaalsContact O-N 3.14Å; Y26-Q29 PolarHBondContact O-N 3.26Å; Q29-A32 PolarHBondContact O-N 3.39Å; Q29-A33 WeakPolarHBondContact O-CB 3.44Å; Q29-A33 PolarHBondContact O-N 3.43Å |
| 30 | E | 64.1 | Low | 63.4 | Low | 108 Ų | 108 | 121.1 Ų | 121.1 | 51% | 0.505 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -70 | -35.9 | 176.5 | -110.6 | 173.8 | 170.4 | 0 | 0 | 112.8 | Y26 Y27 A33 Q34 | Y26-E30 PolarHBondContact O-N 2.94Å; Y27-E30 PolarHBondContact O-N 3.38Å; E30-A33 PolarHBondContact O-N 3.05Å; E30-Q34 PolarHBondContact O-N 3.33Å |
| 31 | A | 61.6 | Low | 62.7 | Low | 68 Ų | 68 | 128.3 Ų | 128.3 | 56% | 0.562 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66.4 | -37.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y27 A33 | Y27-A31 WeakPolarHBondContact O-CB 3.44Å; Y27-A31 PolarHBondContact O-N 3.46Å; A31-A33 VanDerWaalsContact C-N 3.33Å |
| 32 | A | 60.9 | Low | 61.9 | Low | 76 Ų | 76 | 129.7 Ų | 129.7 | 63% | 0.628 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -71.1 | -27.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q28 Q29 | Q28-A32 WeakPolarHBondContact O-CB 3.39Å; Q28-A32 PolarHBondContact O-N 3.11Å; Q28-A32 VanDerWaalsContact O-N 3.11Å; Q29-A32 PolarHBondContact O-N 3.39Å |
| 33 | A | 60.5 | Low | 61.2 | Low | 60 Ų | 60 | 136.7 Ų | 136.7 | 50% | 0.496 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -73.2 | -26.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q29 E30 A31 | Q29-A33 WeakPolarHBondContact O-CB 3.44Å; Q29-A33 PolarHBondContact O-N 3.43Å; E30-A33 PolarHBondContact O-N 3.05Å; A31-A33 VanDerWaalsContact C-N 3.33Å |
| 34 | Q | 59.5 | Low | 60.5 | Low | 169 Ų | 169 | 139.1 Ų | 139.1 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -92.8 | -12.4 | -176.4 | -64.3 | -157.8 | 47.9 | 0 | 0 | 114.9 | E30 K36 | E30-Q34 PolarHBondContact O-N 3.33Å; Q34-K36 VanDerWaalsContact C-N 3.3Å; Q34-K36 PolarHBondContact O-N 2.96Å |
| 35 | A | 58 | Low | 59.7 | Low | 77 Ų | 77 | 140.4 Ų | 140.4 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | trans | -89.9 | 35.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P37 | A35-P37 WeakPolarHBondContact O-CD 3.42Š| ||
| 36 | K | 59.3 | Low | 58.7 | Low | 174 Ų | 174 | 136.2 Ų | 136.2 | 76% | 0.757 | 70% | 0.704 | S | S | * | * | trans | -74.2 | 117.4 | 171.9 | -66.8 | -175 | -174.7 | 178.3 | 0 | 108.6 | Q34 S38 | Q34-K36 VanDerWaalsContact C-N 3.3Å; Q34-K36 PolarHBondContact O-N 2.96Å; K36-S38 PolarHBondContact O-N 2.77Å | ||
| 37 | P | 60.4 | Low | 58 | Low | 112 Ų | 112 | 133.6 Ų | 133.6 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | trans | -59.5 | 120.6 | 177.6 | 24.2 | -32.4 | 0 | 0 | 0 | 108.3 | A35 K39 | A35-P37 WeakPolarHBondContact O-CD 3.42Å; P37-K39 PolarHBondContact O-N 3.25Å | ||
| 38 | S | 57.7 | Low | 57.1 | Low | 118 Ų | 118 | 133.6 Ų | 133.6 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | trans | -62.5 | 88.1 | 169.7 | 55.9 | 0 | 0 | 0 | 0 | 107.9 | K36 | K36-S38 PolarHBondContact O-N 2.77Š| ||
| 39 | K | 57.7 | Low | 56.3 | Low | 176 Ų | 176 | 132.1 Ų | 132.1 | 77% | 0.765 | 72% | 0.716 | S | S | * | * | trans | -51.5 | 131.5 | 162.7 | -81.8 | 169.4 | 177.1 | 170.1 | 0 | 106.1 | P37 R41 | P37-K39 PolarHBondContact O-N 3.25Å; K39-R41 PolarHBondContact O-N 3.37Å | ||
| 40 | P | 56.1 | Low | 56.1 | Low | 125 Ų | 125 | 132.6 Ų | 132.6 | 81% | 0.812 | 72% | 0.718 | S | S | * | * | trans | -54.3 | 112.3 | 171.3 | 23.1 | -31.1 | 0 | 0 | 0 | 105.7 | C42 | P40-C42 PolarHBondContact O-N 2.88Š| ||
| 41 | R | 50.8 | Low | 55.9 | Low | 238 Ų | 238 | 130.7 Ų | 130.7 | 90% | 0.898 | 72% | 0.717 | S | S | * | * | trans | -67.9 | 76.7 | 173.4 | -86 | -178.5 | 148 | 176.7 | -5.1 | 106.2 | K39 R43 | K39-R41 PolarHBondContact O-N 3.37Å; R41-R43 PolarHBondContact O-N 3.21Å | ||
| 42 | C | 47.1 | Very low | 57 | Low | 112 Ų | 112 | 137 Ų | 137 | 76% | 0.757 | 73% | 0.732 | S | S | * | * | trans | -53.3 | 115.1 | 152.7 | -171.9 | 0 | 0 | 0 | 0 | 104 | P40 K44 | P40-C42 PolarHBondContact O-N 2.88Å; C42-K44 PolarHBondContact O-N 3.04Å | ||
| 43 | R | 53.5 | Low | 58.5 | Low | 219 Ų | 219 | 135.5 Ų | 135.5 | 83% | 0.826 | 71% | 0.711 | S | S | * | * | trans | -63.7 | 77.5 | -179.6 | -67 | 176.3 | 176.4 | 160.6 | -0 | 107.7 | R41 K45 | R41-R43 PolarHBondContact O-N 3.21Å; R43-K45 VanDerWaalsContact C-N 3.3Å; R43-K45 PolarHBondContact O-N 2.84Å | ||
| 44 | K | 52 | Low | 60 | Low | 197 Ų | 197 | 135 Ų | 135 | 86% | 0.857 | 70% | 0.702 | S | S | * | * | trans | -61.5 | 103.5 | 163.7 | -107.3 | 175.2 | 175.9 | 176 | 0 | 104 | C42 G46 | C42-K44 PolarHBondContact O-N 3.04Å; K44-G46 VanDerWaalsContact C-N 3.26Å; K44-G46 PolarHBondContact O-N 3.38Å | ||
| 45 | K | 53.6 | Low | 61.6 | Low | 199 Ų | 199 | 128.3 Ų | 128.3 | 87% | 0.865 | 68% | 0.678 | S | S | * | * | trans | -51.9 | 96.4 | 172.9 | -172.1 | 162.9 | 178.9 | 176.9 | 0 | 106.1 | R43 S47 | R43-K45 VanDerWaalsContact C-N 3.3Å; R43-K45 PolarHBondContact O-N 2.84Å; K45-S47 VanDerWaalsContact C-N 3.32Å; K45-S47 PolarHBondContact O-N 3.25Å | ||
| 46 | G | 48.8 | Very low | 63.4 | Low | 63 Ų | 63 | 125.1 Ų | 125.1 | 65% | 0.649 | 65% | 0.65 | S | S | * | * | trans | -63.1 | 97.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | K44 N48 | K44-G46 VanDerWaalsContact C-N 3.26Å; K44-G46 PolarHBondContact O-N 3.38Å; G46-N48 PolarHBondContact O-N 3.48Å | ||
| 47 | S | 54.6 | Low | 65.1 | Low | 113 Ų | 113 | 121.5 Ų | 121.5 | 79% | 0.79 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 10.2 | -167.3 | -172.7 | 0 | 0 | 0 | 0 | 114.7 | K45 | K45-S47 VanDerWaalsContact C-N 3.32Å; K45-S47 PolarHBondContact O-N 3.25Å |
| 48 | N | 50.6 | Low | 66.7 | Low | 139 Ų | 139 | 120.1 Ų | 120.1 | 74% | 0.743 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.7 | 10.6 | -165.9 | -86 | 3.4 | 0 | 0 | 0 | 116.7 | G46 | G46-N48 PolarHBondContact O-N 3.48Š|
| 49 | N | 51.6 | Low | 68.4 | Low | 105 Ų | 105 | 121.2 Ų | 121.2 | 56% | 0.561 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -137.8 | 82.8 | -173.8 | -62.9 | -27.2 | 0 | 0 | 0 | 112.8 | S51 | N49-S51 PolarHBondContact O-N 3.02Å; N49-S51 PolarHBondContact O-OG 3.46Å |
| 50 | H | 59.1 | Low | 70.2 | Confident | 137 Ų | 137 | 119.5 Ų | 119.5 | 63% | 0.634 | 61% | 0.609 | S | S | * | * | S | Bend | trans | 39.3 | 6.3 | 143.8 | 26.7 | 63.6 | 0 | 0 | 0 | 122.5 | W64 | H50-W64 WeakPolarHBondContact O-CH2 3.41Å; H50-W64 WeakPolarHBondContact O-CZ3 3.28Å |
| 51 | S | 61.7 | Low | 71.9 | Confident | 68 Ų | 68 | 117.6 Ų | 117.6 | 48% | 0.476 | 60% | 0.599 | S | S | . | * | trans | -130.8 | 96.6 | -179.2 | 58.8 | 0 | 0 | 0 | 0 | 110.1 | N49 F53 | N49-S51 PolarHBondContact O-N 3.02Å; N49-S51 PolarHBondContact O-OG 3.46Å; S51-F53 VanDerWaalsContact C-N 3.34Å | ||
| 52 | K | 83.8 | Confident | 73.9 | Confident | 200 Ų | 200 | 108 Ų | 108 | 87% | 0.87 | 57% | 0.573 | S | S | * | * | trans | -79.7 | -19.7 | 178.7 | -64.3 | 174.4 | -176.5 | 173.2 | 0 | 112.2 | ||||
| 53 | F | 92.7 | Very high | 76.2 | Confident | 44 Ų | 44 | 108.1 Ų | 108.1 | 19% | 0.193 | 56% | 0.558 | C | S | . | * | S | Bend | trans | -111.4 | 139 | -169.9 | -55.4 | -69.5 | 0 | 0 | 0 | 112.4 | S51 V56 A85 E86 A89 N107 F108 | S51-F53 VanDerWaalsContact C-N 3.34Å; F53-V56 HydrophobicContact CB-CB 4.13Å; F53-V56 HydrophobicContact CB-CG2 3.92Å; F53-V56 PolarHBondContact O-N 3.45Å; F53-A85 HydrophobicContact CD2-CB 3.84Å; F53-A85 HydrophobicContact CE2-CB 3.78Å; F53-E86 HydrophobicContact CE2-CG 4.25Å; F53-E86 HydrophobicContact CZ-CG 4.08Å; F53-A89 HydrophobicContact CB-CB 3.58Å; F53-A89 HydrophobicContact CD1-CB 3.78Å; F53-A89 HydrophobicContact CD2-CB 4.01Å; F53-A89 HydrophobicContact CE1-CB 4.46Å; F53-A89 HydrophobicContact CG-CB 3.52Å; F53-N107 HydrophobicContact CD1-CB 4.12Å; F53-F108 HydrophobicContact CD1-CZ 4.32Å; F53-F108 AromaticContact CE1-CE1 3.94Å; F53-F108 HydrophobicContact CE1-CE1 3.94Å; F53-F108 AromaticContact CE1-CZ 3.85Å; F53-F108 HydrophobicContact CE1-CZ 3.85Å; F53-F108 HydrophobicContact CZ-CE1 4.49Å; F53-F108 HydrophobicContact CZ-CZ 4.3Å |
| 54 | V | 92.3 | Very high | 78.2 | Confident | 51 Ų | 51 | 99.6 Ų | 99.6 | 31% | 0.309 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 135.6 | 173.9 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | V56 Y92 N107 | V54-V56 PolarHBondContact O-N 3.46Å; V54-Y92 HydrophobicContact CB-CE1 4.36Å; V54-Y92 HydrophobicContact CG1-CE1 3.91Å; V54-N107 VanDerWaalsContact CB-OD1 3.29Å; V54-N107 WeakPolarHBondContact CB-OD1 3.39Å; V54-N107 PolarHBondContact N-OD1 3.2Å; V54-N107 PolarHBondContact O-ND2 2.91Å |
| 55 | G | 93 | Very high | 80.3 | Confident | 27 Ų | 27 | 90.5 Ų | 90.5 | 28% | 0.278 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 0.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A66 E67 | G55-A66 WeakPolarHBondContact O-CA 3.28Å; G55-E67 PolarHBondContact O-N 2.87Å |
| 56 | V | 95.2 | Very high | 82.4 | Confident | 10 Ų | 10 | 81 Ų | 81 | 6% | 0.061 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.5 | -178 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | F53 V54 W64 V65 A88 A89 | F53-V56 HydrophobicContact CB-CB 4.13Å; F53-V56 HydrophobicContact CB-CG2 3.92Å; F53-V56 PolarHBondContact O-N 3.45Å; V54-V56 PolarHBondContact O-N 3.46Å; V56-W64 HydrophobicContact CG1-CB 4.28Å; V56-W64 HydrophobicContact CG1-CD2 4.44Å; V56-W64 HydrophobicContact CG1-CE3 3.64Å; V56-W64 HydrophobicContact CG1-CZ3 4.39Å; V56-V65 WeakPolarHBondContact CA-O 3.2Å; V56-A88 HydrophobicContact CB-CB 4.39Å; V56-A88 HydrophobicContact CG1-CB 3.74Å; V56-A88 HydrophobicContact CG2-CB 3.74Å; V56-A89 HydrophobicContact CG2-CB 3.99Å |
| 57 | R | 94.8 | Very high | 84.6 | Confident | 98 Ų | 98 | 81.6 Ų | 81.6 | 37% | 0.37 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 149.8 | 173.5 | 61.4 | -178.4 | 171.6 | 83.3 | -1.1 | 111.1 | V65 E67 | R57-V65 HydrophobicContact CG-CB 4.02Å; R57-V65 PolarHBondContact N-O 3.46Å; R57-V65 PolarHBondContact O-N 3.5Å; R57-E67 IonicContact CZ-OE2 3.39Å; R57-E67 IonicContact NE-OE2 2.95Å; R57-E67 PolarHBondContact NE-OE2 3.35Å; R57-E67 IonicContact NH2-OE2 2.91Å; R57-E67 PolarHBondContact NH2-OE2 3.29Å |
| 58 | Q | 94.8 | Very high | 86.6 | Confident | 84 Ų | 84 | 76.8 Ų | 76.8 | 39% | 0.393 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 129.3 | 175.1 | -161.9 | 175.9 | 20.3 | 0 | 0 | 109.7 | W64 | Q58-W64 HydrophobicContact CB-CE3 4Å; Q58-W64 HydrophobicContact CB-CH2 4.28Å; Q58-W64 HydrophobicContact CB-CZ3 3.84Å; Q58-W64 HydrophobicContact CG-CD2 4.42Å; Q58-W64 HydrophobicContact CG-CE3 4.27Å; Q58-W64 HydrophobicContact CG-CH2 4.24Å; Q58-W64 HydrophobicContact CG-CZ2 4.34Å; Q58-W64 HydrophobicContact CG-CZ3 4.21Å |
| 59 | R | 93.3 | Very high | 88.7 | Confident | 140 Ų | 140 | 77 Ų | 77 | 53% | 0.528 | 39% | 0.391 | S | S | . | . | trans | -86.1 | 153.4 | 171.1 | -173.8 | 176.9 | -84.1 | -89.9 | 3.5 | 108.8 | S61 G62 R63 | R59-S61 PolarHBondContact O-N 3.16Å; R59-G62 PolarHBondContact O-N 3.4Å; R59-R63 PolarHBondContact N-O 3.24Å; R59-R63 VanDerWaalsContact N-O 3.13Å | ||
| 60 | P | 94 | Very high | 90.7 | Very high | 140 Ų | 140 | 72.5 Ų | 72.5 | 91% | 0.909 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -21.5 | 171.2 | 18.3 | -34.5 | 0 | 0 | 0 | 114.7 | G62 | P60-G62 PolarHBondContact O-N 3Š|
| 61 | S | 92.5 | Very high | 92.2 | Very high | 86 Ų | 86 | 71.2 Ų | 71.2 | 60% | 0.601 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -14 | 170.9 | 159.7 | 0 | 0 | 0 | 0 | 114.1 | R59 R63 | R59-S61 PolarHBondContact O-N 3.16Å; S61-R63 VanDerWaalsContact C-N 3.32Å; S61-R63 PolarHBondContact O-N 3.48Å |
| 62 | G | 93 | Very high | 93.7 | Very high | 35 Ų | 35 | 73.9 Ų | 73.9 | 36% | 0.361 | 38% | 0.382 | S | S | . | . | S | Bend | trans | 91.4 | -20.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R59 P60 | R59-G62 PolarHBondContact O-N 3.4Å; P60-G62 PolarHBondContact O-N 3Å |
| 63 | R | 95.3 | Very high | 94 | Very high | 116 Ų | 116 | 68.7 Ų | 68.7 | 44% | 0.438 | 36% | 0.361 | S | S | . | . | trans | -68 | 146.4 | 176.2 | -58.3 | -165.6 | 78.4 | 150 | 5.8 | 112.3 | R59 S61 | R59-R63 PolarHBondContact N-O 3.24Å; R59-R63 VanDerWaalsContact N-O 3.13Å; S61-R63 VanDerWaalsContact C-N 3.32Å; S61-R63 PolarHBondContact O-N 3.48Å | ||
| 64 | W | 96.4 | Very high | 94.1 | Very high | 40 Ų | 40 | 75.7 Ų | 75.7 | 15% | 0.152 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 137.3 | 176.6 | -58.4 | 87.4 | 0 | 0 | 0 | 109.8 | H50 V56 Q58 T81 F82 E83 T84 A85 A88 | H50-W64 WeakPolarHBondContact O-CH2 3.41Å; H50-W64 WeakPolarHBondContact O-CZ3 3.28Å; V56-W64 HydrophobicContact CG1-CB 4.28Å; V56-W64 HydrophobicContact CG1-CD2 4.44Å; V56-W64 HydrophobicContact CG1-CE3 3.64Å; V56-W64 HydrophobicContact CG1-CZ3 4.39Å; Q58-W64 HydrophobicContact CB-CE3 4Å; Q58-W64 HydrophobicContact CB-CH2 4.28Å; Q58-W64 HydrophobicContact CB-CZ3 3.84Å; Q58-W64 HydrophobicContact CG-CD2 4.42Å; Q58-W64 HydrophobicContact CG-CE3 4.27Å; Q58-W64 HydrophobicContact CG-CH2 4.24Å; Q58-W64 HydrophobicContact CG-CZ2 4.34Å; Q58-W64 HydrophobicContact CG-CZ3 4.21Å; W64-T81 CarbonylContact O-C 3.34Å; W64-T81 VanDerWaalsContact O-CA 3.28Å; W64-T81 WeakPolarHBondContact O-CA 3.44Å; W64-F82 WeakPolarHBondContact CB-O 3.4Å; W64-F82 PolarHBondContact N-O 3.33Å; W64-F82 PolarHBondContact O-N 3Å; W64-E83 PolarHBondContact NE1-O 3.43Å; W64-T84 VanDerWaalsContact CD1-C 3.48Å; W64-A85 HydrophobicContact CD2-CB 3.66Å; W64-A85 HydrophobicContact CE3-CB 3.77Å; W64-A85 HydrophobicContact CG-CB 4.32Å; W64-A85 HydrophobicContact CH2-CB 3.88Å; W64-A85 HydrophobicContact CZ2-CB 3.8Å; W64-A85 HydrophobicContact CZ3-CB 3.86Å; W64-A88 HydrophobicContact CB-CB 4.05Å |
| 65 | V | 96 | Very high | 94.1 | Very high | 5 Ų | 5 | 76.3 Ų | 76.3 | 3% | 0.03 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 131.9 | 178.3 | -172.4 | 0 | 0 | 0 | 0 | 108.7 | V56 R57 T81 | V56-V65 WeakPolarHBondContact CA-O 3.2Å; R57-V65 HydrophobicContact CG-CB 4.02Å; R57-V65 PolarHBondContact N-O 3.46Å; R57-V65 PolarHBondContact O-N 3.5Å; V65-T81 HydrophobicContact CG1-CG2 4.4Å; V65-T81 HydrophobicContact CG2-CG2 3.88Å |
| 66 | A | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 84.7 Ų | 84.7 | 0% | 0 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 134.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G55 L79 G80 F82 A88 | G55-A66 WeakPolarHBondContact O-CA 3.28Å; A66-L79 HydrophobicContact CB-CB 4.06Å; A66-L79 HydrophobicContact CB-CD1 4.16Å; A66-L79 WeakPolarHBondContact O-CB 3.37Å; A66-L79 PolarHBondContact O-N 3.02Å; A66-G80 PolarHBondContact N-O 2.92Å; A66-G80 VanDerWaalsContact N-O 3.12Å; A66-G80 PolarHBondContact O-N 3.36Å; A66-F82 HydrophobicContact CB-CD2 4.2Å; A66-F82 HydrophobicContact CB-CE2 3.82Å; A66-A88 HydrophobicContact CB-CB 4.1Å; A66-A88 WeakPolarHBondContact CB-O 3.34Å |
| 67 | E | 96.1 | Very high | 94.3 | Very high | 76 Ų | 76 | 88.9 Ų | 88.9 | 36% | 0.355 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 143.8 | 176.5 | 58 | -171.8 | -128 | 0 | 0 | 109.4 | G55 R57 M77 Y92 | G55-E67 PolarHBondContact O-N 2.87Å; R57-E67 IonicContact CZ-OE2 3.39Å; R57-E67 IonicContact NE-OE2 2.95Å; R57-E67 PolarHBondContact NE-OE2 3.35Å; R57-E67 IonicContact NH2-OE2 2.91Å; R57-E67 PolarHBondContact NH2-OE2 3.29Å; E67-M77 WeakPolarHBondContact CA-O 3.37Å; E67-Y92 WeakPolarHBondContact O-CD2 3.31Å; E67-Y92 WeakPolarHBondContact O-CE2 3.38Å |
| 68 | I | 95.5 | Very high | 94.3 | Very high | 11 Ų | 11 | 92.3 Ų | 92.3 | 6% | 0.056 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 135.4 | 175.6 | -169.5 | 165.7 | 0 | 0 | 0 | 110.1 | R76 M77 L79 Y92 A95 A96 L99 | I68-R76 WeakPolarHBondContact O-CA 3.32Å; I68-M77 HydrophobicContact CG2-CB 3.75Å; I68-M77 HydrophobicContact CG2-CE 3.85Å; I68-M77 HydrophobicContact CG2-CG 4.49Å; I68-M77 PolarHBondContact N-O 2.83Å; I68-M77 PolarHBondContact O-N 2.79Å; I68-L79 HydrophobicContact CB-CD1 4.31Å; I68-L79 HydrophobicContact CG2-CD2 4.01Å; I68-L79 HydrophobicContact CG2-CG 4.36Å; I68-Y92 HydrophobicContact CB-CD2 4.41Å; I68-Y92 HydrophobicContact CB-CE2 4.16Å; I68-Y92 HydrophobicContact CG1-CE2 4.12Å; I68-A95 HydrophobicContact CD1-CB 4.03Å; I68-A96 HydrophobicContact CD1-CB 4.28Å; I68-L99 HydrophobicContact CD1-CB 4.32Å; I68-L99 HydrophobicContact CD1-CD2 3.83Å; I68-L99 HydrophobicContact CG1-CD2 4.25Å |
| 69 | K | 95.6 | Very high | 94.4 | Very high | 144 Ų | 144 | 90.4 Ų | 90.4 | 63% | 0.626 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 117.4 | 175.8 | 179.5 | -179.9 | 179.3 | -177.6 | 0 | 108.6 | I75 R76 | K69-I75 WeakPolarHBondContact CA-O 3.4Å; K69-R76 HydrophobicContact CG-CG 4.24Å |
| 70 | D | 92.1 | Very high | 94.6 | Very high | 10 Ų | 10 | 84.5 Ų | 84.5 | 5% | 0.053 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.9 | 171.1 | -159.6 | -47.8 | 0 | 0 | 0 | 110.1 | T72 Q73 K74 I75 L99 R100 | D70-T72 WeakPolarHBondContact OD1-CA 3.22Å; D70-T72 VanDerWaalsContact OD1-CB 3.29Å; D70-T72 WeakPolarHBondContact OD1-CB 3.46Å; D70-T72 PolarHBondContact OD1-N 3.27Å; D70-Q73 HydrophobicContact CB-CB 4.38Å; D70-Q73 PolarHBondContact OD1-N 2.84Å; D70-K74 CarbonylContact O-C 3.46Å; D70-K74 WeakPolarHBondContact O-CA 3.49Å; D70-K74 PolarHBondContact O-N 3.37Å; D70-K74 VanDerWaalsContact O-N 3.07Å; D70-I75 PolarHBondContact N-O 3.5Å; D70-I75 PolarHBondContact O-N 3.42Å; D70-I75 VanDerWaalsContact O-N 3.08Å; D70-L99 HydrophobicContact CB-CD2 3.57Å; D70-R100 IonicContact OD2-NH2 3.59Å |
| 71 | T | 92.1 | Very high | 94.7 | Very high | 110 Ų | 110 | 80.8 Ų | 80.8 | 68% | 0.675 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -30.3 | 179.2 | 49.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 72 | T | 92.2 | Very high | 94.9 | Very high | 125 Ų | 125 | 79.2 Ų | 79.2 | 77% | 0.767 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -44.8 | -178.8 | -53.5 | 0 | 0 | 0 | 0 | 109.8 | D70 | D70-T72 WeakPolarHBondContact OD1-CA 3.22Å; D70-T72 VanDerWaalsContact OD1-CB 3.29Å; D70-T72 WeakPolarHBondContact OD1-CB 3.46Å; D70-T72 PolarHBondContact OD1-N 3.27Å |
| 73 | Q | 90.7 | Very high | 95.1 | Very high | 91 Ų | 91 | 85.2 Ų | 85.2 | 43% | 0.425 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -5.3 | 179.9 | -57.1 | -176.9 | 15.5 | 0 | 0 | 112.9 | D70 I75 L99 | D70-Q73 HydrophobicContact CB-CB 4.38Å; D70-Q73 PolarHBondContact OD1-N 2.84Å; Q73-I75 HydrophobicContact CB-CD1 3.7Å; Q73-I75 HydrophobicContact CB-CG1 3.98Å; Q73-I75 PolarHBondContact O-N 2.92Å; Q73-L99 PolarHBondContact NE2-O 3.43Å |
| 74 | K | 93.7 | Very high | 95.1 | Very high | 190 Ų | 190 | 82.9 Ų | 82.9 | 83% | 0.826 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 32.9 | -173.5 | -58.5 | 178.6 | -179.7 | 175.2 | 0 | 113.6 | D70 | D70-K74 CarbonylContact O-C 3.46Å; D70-K74 WeakPolarHBondContact O-CA 3.49Å; D70-K74 PolarHBondContact O-N 3.37Å; D70-K74 VanDerWaalsContact O-N 3.07Å |
| 75 | I | 93.5 | Very high | 95 | Very high | 64 Ų | 64 | 81.3 Ų | 81.3 | 33% | 0.328 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 135.9 | -178.3 | -65.4 | 167.9 | 0 | 0 | 0 | 110.2 | K69 D70 Q73 M77 L99 | K69-I75 WeakPolarHBondContact CA-O 3.4Å; D70-I75 PolarHBondContact N-O 3.5Å; D70-I75 PolarHBondContact O-N 3.42Å; D70-I75 VanDerWaalsContact O-N 3.08Å; Q73-I75 HydrophobicContact CB-CD1 3.7Å; Q73-I75 HydrophobicContact CB-CG1 3.98Å; Q73-I75 PolarHBondContact O-N 2.92Å; I75-M77 HydrophobicContact CG2-CB 4.41Å; I75-L99 HydrophobicContact CD1-CD1 4Å |
| 76 | R | 96.1 | Very high | 95 | Very high | 204 Ų | 204 | 85.6 Ų | 85.6 | 77% | 0.77 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 119.4 | 167.7 | -67.2 | 177.4 | 68.2 | -173.8 | -0.9 | 107.5 | I68 K69 | I68-R76 WeakPolarHBondContact O-CA 3.32Å; K69-R76 HydrophobicContact CG-CG 4.24Å |
| 77 | M | 95.8 | Very high | 94.9 | Very high | 97 Ų | 97 | 86.9 Ų | 86.9 | 48% | 0.478 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 129.2 | -178 | 179.3 | 172.1 | 78.5 | 0 | 0 | 109.4 | E67 I68 I75 L79 A95 | E67-M77 WeakPolarHBondContact CA-O 3.37Å; I68-M77 HydrophobicContact CG2-CB 3.75Å; I68-M77 HydrophobicContact CG2-CE 3.85Å; I68-M77 HydrophobicContact CG2-CG 4.49Å; I68-M77 PolarHBondContact N-O 2.83Å; I68-M77 PolarHBondContact O-N 2.79Å; I75-M77 HydrophobicContact CG2-CB 4.41Å; M77-L79 HydrophobicContact CE-CD2 3.39Å; M77-L79 HydrophobicContact CG-CD2 4.36Å; M77-A95 HydrophobicContact CE-CB 4.37Å |
| 78 | W | 95.5 | Very high | 94.9 | Very high | 171 Ų | 171 | 83.3 Ų | 83.3 | 65% | 0.648 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 123.5 | 171.4 | 175.6 | 36.9 | 0 | 0 | 0 | 108.3 | G80 T81 | W78-G80 VanDerWaalsContact NE1-C 3.27Å; W78-G80 PolarHBondContact NE1-O 3.1Å; W78-G80 VanDerWaalsContact NE1-O 3.08Å; W78-T81 HydrophobicContact CZ2-CG2 3.85Å |
| 79 | L | 96.3 | Very high | 94.9 | Very high | 43 Ų | 43 | 82.8 Ų | 82.8 | 23% | 0.225 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -23.4 | -175.8 | -59.1 | 175.6 | 0 | 0 | 0 | 112.3 | A66 I68 M77 Y92 A95 | A66-L79 HydrophobicContact CB-CB 4.06Å; A66-L79 HydrophobicContact CB-CD1 4.16Å; A66-L79 WeakPolarHBondContact O-CB 3.37Å; A66-L79 PolarHBondContact O-N 3.02Å; I68-L79 HydrophobicContact CB-CD1 4.31Å; I68-L79 HydrophobicContact CG2-CD2 4.01Å; I68-L79 HydrophobicContact CG2-CG 4.36Å; M77-L79 HydrophobicContact CE-CD2 3.39Å; M77-L79 HydrophobicContact CG-CD2 4.36Å; L79-Y92 HydrophobicContact CD1-CD2 4.2Å; L79-A95 HydrophobicContact CD1-CB 3.83Å; L79-A95 HydrophobicContact CD2-CB 3.54Å; L79-A95 HydrophobicContact CG-CB 4.35Å |
| 80 | G | 97 | Very high | 94.9 | Very high | 17 Ų | 17 | 80.2 Ų | 80.2 | 18% | 0.175 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 139.9 | -176.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A66 W78 | A66-G80 PolarHBondContact N-O 2.92Å; A66-G80 VanDerWaalsContact N-O 3.12Å; A66-G80 PolarHBondContact O-N 3.36Å; W78-G80 VanDerWaalsContact NE1-C 3.27Å; W78-G80 PolarHBondContact NE1-O 3.1Å; W78-G80 VanDerWaalsContact NE1-O 3.08Å |
| 81 | T | 97.2 | Very high | 95.1 | Very high | 61 Ų | 61 | 80.7 Ų | 80.7 | 37% | 0.374 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 131.4 | 171.5 | 57.5 | 0 | 0 | 0 | 0 | 109.7 | W64 V65 W78 | W64-T81 CarbonylContact O-C 3.34Å; W64-T81 VanDerWaalsContact O-CA 3.28Å; W64-T81 WeakPolarHBondContact O-CA 3.44Å; V65-T81 HydrophobicContact CG1-CG2 4.4Å; V65-T81 HydrophobicContact CG2-CG2 3.88Å; W78-T81 HydrophobicContact CZ2-CG2 3.85Å |
| 82 | F | 97.2 | Very high | 95.4 | Very high | 54 Ų | 54 | 76.9 Ų | 76.9 | 24% | 0.237 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 156.3 | -175.4 | -55.3 | -90.3 | 0 | 0 | 0 | 110.3 | W64 A66 A87 A88 A91 | W64-F82 WeakPolarHBondContact CB-O 3.4Å; W64-F82 PolarHBondContact N-O 3.33Å; W64-F82 PolarHBondContact O-N 3Å; A66-F82 HydrophobicContact CB-CD2 4.2Å; A66-F82 HydrophobicContact CB-CE2 3.82Å; F82-A87 HydrophobicContact CB-CB 4.16Å; F82-A87 HydrophobicContact CD1-CB 4.01Å; F82-A87 HydrophobicContact CG-CB 4.32Å; F82-A88 HydrophobicContact CB-CB 4Å; F82-A88 HydrophobicContact CD2-CB 3.59Å; F82-A88 HydrophobicContact CE2-CB 4.43Å; F82-A88 HydrophobicContact CG-CB 4.02Å; F82-A91 HydrophobicContact CE1-CB 4.06Å; F82-A91 HydrophobicContact CE2-CB 3.87Å; F82-A91 HydrophobicContact CZ-CB 3.39Å |
| 83 | E | 95.6 | Very high | 95.5 | Very high | 160 Ų | 160 | 71.1 Ų | 71.1 | 75% | 0.748 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -80.9 | -28.2 | 177.5 | -63.9 | 179 | 174.9 | 0 | 0 | 112.2 | W64 | W64-E83 PolarHBondContact NE1-O 3.43Š|
| 84 | T | 95.8 | Very high | 95.7 | Very high | 67 Ų | 67 | 72 Ų | 72 | 41% | 0.411 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -114.1 | 148.1 | 179.4 | 62.1 | 0 | 0 | 0 | 0 | 111.6 | W64 E86 A87 A88 | W64-T84 VanDerWaalsContact CD1-C 3.48Å; T84-E86 VanDerWaalsContact C-N 3.25Å; T84-E86 PolarHBondContact O-N 3.1Å; T84-A87 PolarHBondContact O-N 3.47Å; T84-A87 WeakPolarHBondContact OG1-CB 3.47Å; T84-A87 PolarHBondContact OG1-N 3.16Å; T84-A87 VanDerWaalsContact OG1-N 3.15Å; T84-A88 PolarHBondContact O-N 3.46Å |
| 85 | A | 94.9 | Very high | 95.8 | Very high | 8 Ų | 8 | 63.4 Ų | 63.4 | 7% | 0.066 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.7 | -35.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | F53 W64 A89 | F53-A85 HydrophobicContact CD2-CB 3.84Å; F53-A85 HydrophobicContact CE2-CB 3.78Å; W64-A85 HydrophobicContact CD2-CB 3.66Å; W64-A85 HydrophobicContact CE3-CB 3.77Å; W64-A85 HydrophobicContact CG-CB 4.32Å; W64-A85 HydrophobicContact CH2-CB 3.88Å; W64-A85 HydrophobicContact CZ2-CB 3.8Å; W64-A85 HydrophobicContact CZ3-CB 3.86Å; A85-A89 VanDerWaalsContact O-CB 3.29Å; A85-A89 WeakPolarHBondContact O-CB 3.28Å; A85-A89 PolarHBondContact O-N 3.05Å |
| 86 | E | 94.9 | Very high | 95.8 | Very high | 95 Ų | 95 | 60.7 Ų | 60.7 | 44% | 0.444 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -71.7 | -34.8 | -179 | -63.1 | 73 | -162.2 | 0 | 0 | 112.3 | F53 T84 K90 F108 | F53-E86 HydrophobicContact CE2-CG 4.25Å; F53-E86 HydrophobicContact CZ-CG 4.08Å; T84-E86 VanDerWaalsContact C-N 3.25Å; T84-E86 PolarHBondContact O-N 3.1Å; E86-K90 WeakPolarHBondContact O-CG 3.32Å; E86-K90 PolarHBondContact O-N 3.06Å; E86-K90 VanDerWaalsContact O-N 3.14Å; E86-K90 PolarHBondContact O-NZ 3.48Å; E86-F108 HydrophobicContact CB-CZ 4.37Å |
| 87 | A | 95.7 | Very high | 95.7 | Very high | 27 Ų | 27 | 56.6 Ų | 56.6 | 22% | 0.223 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69 | -46.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | F82 T84 A89 K90 A91 | F82-A87 HydrophobicContact CB-CB 4.16Å; F82-A87 HydrophobicContact CD1-CB 4.01Å; F82-A87 HydrophobicContact CG-CB 4.32Å; T84-A87 PolarHBondContact O-N 3.47Å; T84-A87 WeakPolarHBondContact OG1-CB 3.47Å; T84-A87 PolarHBondContact OG1-N 3.16Å; T84-A87 VanDerWaalsContact OG1-N 3.15Å; A87-A89 VanDerWaalsContact C-N 3.28Å; A87-A89 PolarHBondContact O-N 3.22Å; A87-K90 PolarHBondContact O-N 3.48Å; A87-K90 VanDerWaalsContact O-N 3.1Å; A87-A91 PolarHBondContact O-N 3.23Å |
| 88 | A | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.9 | -43.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V56 W64 A66 F82 T84 K90 A91 Y92 | V56-A88 HydrophobicContact CB-CB 4.39Å; V56-A88 HydrophobicContact CG1-CB 3.74Å; V56-A88 HydrophobicContact CG2-CB 3.74Å; W64-A88 HydrophobicContact CB-CB 4.05Å; A66-A88 HydrophobicContact CB-CB 4.1Å; A66-A88 WeakPolarHBondContact CB-O 3.34Å; F82-A88 HydrophobicContact CB-CB 4Å; F82-A88 HydrophobicContact CD2-CB 3.59Å; F82-A88 HydrophobicContact CE2-CB 4.43Å; F82-A88 HydrophobicContact CG-CB 4.02Å; T84-A88 PolarHBondContact O-N 3.46Å; A88-K90 VanDerWaalsContact C-N 3.35Å; A88-K90 PolarHBondContact O-N 2.87Å; A88-A91 PolarHBondContact O-N 3.47Å; A88-Y92 PolarHBondContact O-N 2.8Å; A88-Y92 VanDerWaalsContact O-N 3.07Å |
| 89 | A | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.5 | -35.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F53 V56 A85 A87 Y92 D93 N107 F108 | F53-A89 HydrophobicContact CB-CB 3.58Å; F53-A89 HydrophobicContact CD1-CB 3.78Å; F53-A89 HydrophobicContact CD2-CB 4.01Å; F53-A89 HydrophobicContact CE1-CB 4.46Å; F53-A89 HydrophobicContact CG-CB 3.52Å; V56-A89 HydrophobicContact CG2-CB 3.99Å; A85-A89 VanDerWaalsContact O-CB 3.29Å; A85-A89 WeakPolarHBondContact O-CB 3.28Å; A85-A89 PolarHBondContact O-N 3.05Å; A87-A89 VanDerWaalsContact C-N 3.28Å; A87-A89 PolarHBondContact O-N 3.22Å; A89-Y92 PolarHBondContact O-N 3.17Å; A89-D93 VanDerWaalsContact O-CG 3.23Å; A89-D93 PolarHBondContact O-N 3.05Å; A89-N107 HydrophobicContact CB-CB 4.32Å; A89-F108 HydrophobicContact CB-CE2 3.5Å; A89-F108 HydrophobicContact CB-CZ 3.82Å |
| 90 | K | 95.4 | Very high | 95.2 | Very high | 90 Ų | 90 | 58.1 Ų | 58.1 | 39% | 0.391 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.4 | -45.4 | 177.1 | -80.4 | -170.6 | -61.4 | -67.6 | 0 | 111.1 | E86 A87 A88 Y92 D93 E94 F108 | E86-K90 WeakPolarHBondContact O-CG 3.32Å; E86-K90 PolarHBondContact O-N 3.06Å; E86-K90 VanDerWaalsContact O-N 3.14Å; E86-K90 PolarHBondContact O-NZ 3.48Å; A87-K90 PolarHBondContact O-N 3.48Å; A87-K90 VanDerWaalsContact O-N 3.1Å; A88-K90 VanDerWaalsContact C-N 3.35Å; A88-K90 PolarHBondContact O-N 2.87Å; K90-Y92 VanDerWaalsContact C-N 3.25Å; K90-Y92 PolarHBondContact O-N 3.32Å; K90-D93 WeakPolarHBondContact O-CB 3.42Å; K90-D93 PolarHBondContact O-N 3.43Å; K90-E94 PolarHBondContact O-N 2.97Å; K90-F108 HydrophobicContact CB-CE2 4.26Å; K90-F108 HydrophobicContact CG-CD2 3.65Å; K90-F108 HydrophobicContact CG-CE2 3.45Å; K90-F108 VanDerWaalsContact CG-CE2 3.45Å; K90-F108 HydrophobicContact CG-CZ 4.31Å |
| 91 | A | 96.2 | Very high | 94.9 | Very high | 20 Ų | 20 | 58.7 Ų | 58.7 | 17% | 0.165 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.2 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F82 A87 A88 A95 | F82-A91 HydrophobicContact CE1-CB 4.06Å; F82-A91 HydrophobicContact CE2-CB 3.87Å; F82-A91 HydrophobicContact CZ-CB 3.39Å; A87-A91 PolarHBondContact O-N 3.23Å; A88-A91 PolarHBondContact O-N 3.47Å; A91-A95 WeakPolarHBondContact O-CB 3.22Å; A91-A95 PolarHBondContact O-N 3.49Å |
| 92 | Y | 96.6 | Very high | 94.5 | Very high | 31 Ų | 31 | 61 Ų | 61 | 12% | 0.122 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 173 | -178 | -88.1 | 0 | 0 | 0 | 112.8 | V54 E67 I68 L79 A88 A89 K90 A95 A96 | V54-Y92 HydrophobicContact CB-CE1 4.36Å; V54-Y92 HydrophobicContact CG1-CE1 3.91Å; E67-Y92 WeakPolarHBondContact O-CD2 3.31Å; E67-Y92 WeakPolarHBondContact O-CE2 3.38Å; I68-Y92 HydrophobicContact CB-CD2 4.41Å; I68-Y92 HydrophobicContact CB-CE2 4.16Å; I68-Y92 HydrophobicContact CG1-CE2 4.12Å; L79-Y92 HydrophobicContact CD1-CD2 4.2Å; A88-Y92 PolarHBondContact O-N 2.8Å; A88-Y92 VanDerWaalsContact O-N 3.07Å; A89-Y92 PolarHBondContact O-N 3.17Å; K90-Y92 VanDerWaalsContact C-N 3.25Å; K90-Y92 PolarHBondContact O-N 3.32Å; Y92-A95 PolarHBondContact O-N 2.91Å; Y92-A96 HydrophobicContact CE1-CB 4.21Å; Y92-A96 VanDerWaalsContact O-CB 3.26Å; Y92-A96 WeakPolarHBondContact O-CB 3.44Å; Y92-A96 PolarHBondContact O-N 3Å |
| 93 | D | 95.3 | Very high | 94 | Very high | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.5 | -37.6 | -179.1 | -72 | -5 | 0 | 0 | 0 | 113 | A89 K90 R97 T106 N107 F108 | A89-D93 VanDerWaalsContact O-CG 3.23Å; A89-D93 PolarHBondContact O-N 3.05Å; K90-D93 WeakPolarHBondContact O-CB 3.42Å; K90-D93 PolarHBondContact O-N 3.43Å; D93-R97 WeakPolarHBondContact O-CB 3.29Å; D93-R97 PolarHBondContact O-N 3.33Å; D93-T106 HydrophobicContact CB-CG2 3.84Å; D93-T106 VanDerWaalsContact CG-CB 3.42Å; D93-T106 VanDerWaalsContact OD1-CA 3.31Å; D93-T106 WeakPolarHBondContact OD1-CA 3.38Å; D93-T106 WeakPolarHBondContact OD1-CB 3.16Å; D93-N107 WeakPolarHBondContact OD1-CB 3.26Å; D93-N107 PolarHBondContact OD1-N 2.72Å; D93-N107 PolarHBondContact OD1-ND2 2.91Å; D93-N107 WeakPolarHBondContact OD2-CB 3.38Å; D93-N107 PolarHBondContact OD2-N 3.45Å; D93-F108 WeakPolarHBondContact OD2-CD2 3.48Å; D93-F108 PolarHBondContact OD2-N 3.19Å |
| 94 | E | 94.9 | Very high | 93.7 | Very high | 108 Ų | 108 | 58.2 Ų | 58.2 | 51% | 0.505 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.4 | -51.4 | 172.9 | -72 | 171.5 | -176 | 0 | 0 | 111.2 | K90 A96 R97 L98 | K90-E94 PolarHBondContact O-N 2.97Å; E94-A96 VanDerWaalsContact C-N 3.31Å; E94-A96 PolarHBondContact O-N 3.23Å; E94-R97 PolarHBondContact O-N 3.03Å; E94-L98 WeakPolarHBondContact O-CG 3.47Å; E94-L98 PolarHBondContact O-N 2.77Å |
| 95 | A | 95.4 | Very high | 93.4 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I68 M77 L79 A91 Y92 R97 L98 L99 | I68-A95 HydrophobicContact CD1-CB 4.03Å; M77-A95 HydrophobicContact CE-CB 4.37Å; L79-A95 HydrophobicContact CD1-CB 3.83Å; L79-A95 HydrophobicContact CD2-CB 3.54Å; L79-A95 HydrophobicContact CG-CB 4.35Å; A91-A95 WeakPolarHBondContact O-CB 3.22Å; A91-A95 PolarHBondContact O-N 3.49Å; Y92-A95 PolarHBondContact O-N 2.91Å; A95-R97 VanDerWaalsContact C-N 3.33Å; A95-R97 PolarHBondContact O-N 3.39Å; A95-L98 PolarHBondContact O-N 2.95Å; A95-L99 WeakPolarHBondContact O-CB 3.43Å; A95-L99 PolarHBondContact O-N 2.75Å |
| 96 | A | 94.3 | Very high | 93.3 | Very high | 7 Ų | 7 | 63.8 Ų | 63.8 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | I68 Y92 E94 L99 R100 A104 | I68-A96 HydrophobicContact CD1-CB 4.28Å; Y92-A96 HydrophobicContact CE1-CB 4.21Å; Y92-A96 VanDerWaalsContact O-CB 3.26Å; Y92-A96 WeakPolarHBondContact O-CB 3.44Å; Y92-A96 PolarHBondContact O-N 3Å; E94-A96 VanDerWaalsContact C-N 3.31Å; E94-A96 PolarHBondContact O-N 3.23Å; A96-L99 PolarHBondContact O-N 3.3Å; A96-R100 WeakPolarHBondContact O-CB 3.49Å; A96-R100 PolarHBondContact O-N 2.97Å; A96-A104 VanDerWaalsContact C-CB 3.47Å; A96-A104 HydrophobicContact CB-CB 4.09Å; A96-A104 WeakPolarHBondContact O-CB 3.09Å |
| 97 | R | 93.3 | Very high | 93.2 | Very high | 118 Ų | 118 | 61.2 Ų | 61.2 | 45% | 0.445 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.3 | -39 | 176.8 | -166.2 | -174.1 | -46.3 | 99.1 | 10.9 | 112.1 | D93 E94 A95 G101 | D93-R97 WeakPolarHBondContact O-CB 3.29Å; D93-R97 PolarHBondContact O-N 3.33Å; E94-R97 PolarHBondContact O-N 3.03Å; A95-R97 VanDerWaalsContact C-N 3.33Å; A95-R97 PolarHBondContact O-N 3.39Å; R97-G101 WeakPolarHBondContact CA-O 3.16Å; R97-G101 CarbonylContact O-C 3.54Å; R97-G101 WeakPolarHBondContact O-CA 3.26Å; R97-G101 PolarHBondContact O-N 3.22Å |
| 98 | L | 93.3 | Very high | 92.9 | Very high | 155 Ų | 155 | 63.4 Ų | 63.4 | 81% | 0.812 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66.7 | -39.3 | 175.8 | -67 | 172.2 | 0 | 0 | 0 | 111.6 | E94 A95 | E94-L98 WeakPolarHBondContact O-CG 3.47Å; E94-L98 PolarHBondContact O-N 2.77Å; A95-L98 PolarHBondContact O-N 2.95Å |
| 99 | L | 92.7 | Very high | 92.1 | Very high | 40 Ų | 40 | 67.2 Ų | 67.2 | 21% | 0.209 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -81.1 | -37.2 | -174.6 | -161 | 68.4 | 0 | 0 | 0 | 114 | I68 D70 Q73 I75 A95 A96 | I68-L99 HydrophobicContact CD1-CB 4.32Å; I68-L99 HydrophobicContact CD1-CD2 3.83Å; I68-L99 HydrophobicContact CG1-CD2 4.25Å; D70-L99 HydrophobicContact CB-CD2 3.57Å; Q73-L99 PolarHBondContact NE2-O 3.43Å; I75-L99 HydrophobicContact CD1-CD1 4Å; A95-L99 WeakPolarHBondContact O-CB 3.43Å; A95-L99 PolarHBondContact O-N 2.75Å; A96-L99 PolarHBondContact O-N 3.3Å |
| 100 | R | 92.4 | Very high | 90.9 | Very high | 147 Ų | 147 | 72.1 Ų | 72.1 | 56% | 0.555 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -110.5 | -12.5 | -174.7 | -169.6 | 173.5 | -61.3 | -178.9 | 1.1 | 113.8 | D70 A96 A104 | D70-R100 IonicContact OD2-NH2 3.59Å; A96-R100 WeakPolarHBondContact O-CB 3.49Å; A96-R100 PolarHBondContact O-N 2.97Å; R100-A104 HydrophobicContact CB-CB 4Å |
| 101 | G | 90.3 | Very high | 89.4 | Confident | 30 Ų | 30 | 79.4 Ų | 79.4 | 31% | 0.309 | 41% | 0.407 | S | S | . | . | trans | 93.5 | -166.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R97 D103 A104 | R97-G101 WeakPolarHBondContact CA-O 3.16Å; R97-G101 CarbonylContact O-C 3.54Å; R97-G101 WeakPolarHBondContact O-CA 3.26Å; R97-G101 PolarHBondContact O-N 3.22Å; G101-D103 PolarHBondContact O-N 3.47Å; G101-D103 VanDerWaalsContact O-N 3.15Å; G101-A104 WeakPolarHBondContact O-CB 3.43Å; G101-A104 PolarHBondContact O-N 3.29Å | ||
| 102 | S | 87.7 | Confident | 87.8 | Confident | 108 Ų | 108 | 84.3 Ų | 84.3 | 76% | 0.755 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26.8 | -178.7 | 53.6 | 0 | 0 | 0 | 0 | 114 | A104 | S102-A104 VanDerWaalsContact C-N 3.25Å; S102-A104 PolarHBondContact O-N 2.86Å |
| 103 | D | 86.5 | Confident | 86 | Confident | 145 Ų | 145 | 85.7 Ų | 85.7 | 78% | 0.775 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 15.3 | -173.7 | -57.2 | -13.1 | 0 | 0 | 0 | 112.1 | G101 | G101-D103 PolarHBondContact O-N 3.47Å; G101-D103 VanDerWaalsContact O-N 3.15Å |
| 104 | A | 90.2 | Very high | 84.5 | Confident | 12 Ų | 12 | 89 Ų | 89 | 10% | 0.099 | 46% | 0.464 | C | S | . | . | trans | -61.4 | 141.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A96 R100 G101 S102 T106 | A96-A104 VanDerWaalsContact C-CB 3.47Å; A96-A104 HydrophobicContact CB-CB 4.09Å; A96-A104 WeakPolarHBondContact O-CB 3.09Å; R100-A104 HydrophobicContact CB-CB 4Å; G101-A104 WeakPolarHBondContact O-CB 3.43Å; G101-A104 PolarHBondContact O-N 3.29Å; S102-A104 VanDerWaalsContact C-N 3.25Å; S102-A104 PolarHBondContact O-N 2.86Å; A104-T106 HydrophobicContact CB-CG2 4.37Å; A104-T106 PolarHBondContact O-N 2.91Å | ||
| 105 | R | 89.9 | Confident | 83.2 | Confident | 148 Ų | 148 | 89.6 Ų | 89.6 | 56% | 0.558 | 47% | 0.471 | S | S | * | . | trans | -76.7 | 96.3 | 173.8 | -169.4 | -179 | 79.9 | 168.5 | 5.2 | 109.7 | ||||
| 106 | T | 92.5 | Very high | 82.4 | Confident | 44 Ų | 44 | 91 Ų | 91 | 27% | 0.27 | 48% | 0.48 | S | S | . | . | trans | -96.4 | 163.1 | 178.5 | 60.5 | 0 | 0 | 0 | 0 | 112.4 | D93 A104 F108 | D93-T106 HydrophobicContact CB-CG2 3.84Å; D93-T106 VanDerWaalsContact CG-CB 3.42Å; D93-T106 VanDerWaalsContact OD1-CA 3.31Å; D93-T106 WeakPolarHBondContact OD1-CA 3.38Å; D93-T106 WeakPolarHBondContact OD1-CB 3.16Å; A104-T106 HydrophobicContact CB-CG2 4.37Å; A104-T106 PolarHBondContact O-N 2.91Å; T106-F108 PolarHBondContact OG1-O 3.21Å | ||
| 107 | N | 92.4 | Very high | 81.8 | Confident | 41 Ų | 41 | 95.3 Ų | 95.3 | 22% | 0.219 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -80.7 | -39.8 | 174.6 | -66.7 | -60.5 | 0 | 0 | 0 | 111.9 | F53 V54 A89 D93 | F53-N107 HydrophobicContact CD1-CB 4.12Å; V54-N107 VanDerWaalsContact CB-OD1 3.29Å; V54-N107 WeakPolarHBondContact CB-OD1 3.39Å; V54-N107 PolarHBondContact N-OD1 3.2Å; V54-N107 PolarHBondContact O-ND2 2.91Å; A89-N107 HydrophobicContact CB-CB 4.32Å; D93-N107 WeakPolarHBondContact OD1-CB 3.26Å; D93-N107 PolarHBondContact OD1-N 2.72Å; D93-N107 PolarHBondContact OD1-ND2 2.91Å; D93-N107 WeakPolarHBondContact OD2-CB 3.38Å; D93-N107 PolarHBondContact OD2-N 3.45Å |
| 108 | F | 89.7 | Confident | 81.4 | Confident | 72 Ų | 72 | 94.1 Ų | 94.1 | 32% | 0.316 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -101.6 | 126.8 | 177.4 | -55.4 | -69.7 | 0 | 0 | 0 | 109.2 | F53 E86 A89 K90 D93 T106 | F53-F108 HydrophobicContact CD1-CZ 4.32Å; F53-F108 AromaticContact CE1-CE1 3.94Å; F53-F108 HydrophobicContact CE1-CE1 3.94Å; F53-F108 AromaticContact CE1-CZ 3.85Å; F53-F108 HydrophobicContact CE1-CZ 3.85Å; F53-F108 HydrophobicContact CZ-CE1 4.49Å; F53-F108 HydrophobicContact CZ-CZ 4.3Å; E86-F108 HydrophobicContact CB-CZ 4.37Å; A89-F108 HydrophobicContact CB-CE2 3.5Å; A89-F108 HydrophobicContact CB-CZ 3.82Å; K90-F108 HydrophobicContact CB-CE2 4.26Å; K90-F108 HydrophobicContact CG-CD2 3.65Å; K90-F108 HydrophobicContact CG-CE2 3.45Å; K90-F108 VanDerWaalsContact CG-CE2 3.45Å; K90-F108 HydrophobicContact CG-CZ 4.31Å; D93-F108 WeakPolarHBondContact OD2-CD2 3.48Å; D93-F108 PolarHBondContact OD2-N 3.19Å; T106-F108 PolarHBondContact OG1-O 3.21Å |
| 109 | A | 79.8 | Confident | 80.9 | Confident | 81 Ų | 81 | 87.4 Ų | 87.4 | 67% | 0.669 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 143.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | R111 | A109-R111 PolarHBondContact O-N 2.95Š|
| 110 | P | 70.5 | Confident | 80.7 | Confident | 103 Ų | 103 | 89 Ų | 89 | 67% | 0.669 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -48 | 136 | 169.6 | -23.7 | 32.3 | 0 | 0 | 0 | 109 | I112 | P110-I112 PolarHBondContact O-N 2.83Š|
| 111 | R | 62.7 | Low | 80.6 | Confident | 242 Ų | 242 | 89.5 Ų | 89.5 | 91% | 0.913 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -67.5 | 41.5 | -173.8 | -61.6 | -98.6 | -154.6 | -160.6 | 4.7 | 113.2 | A109 S113 | A109-R111 PolarHBondContact O-N 2.95Å; R111-S113 VanDerWaalsContact C-N 3.28Å; R111-S113 PolarHBondContact O-N 3.13Å |
| 112 | I | 63.1 | Low | 80.6 | Confident | 123 Ų | 123 | 92.1 Ų | 92.1 | 63% | 0.631 | 50% | 0.495 | S | S | * | . | trans | -74.4 | 94.7 | 163.2 | -53.4 | 173.3 | 0 | 0 | 0 | 104.5 | P110 A119 | P110-I112 PolarHBondContact O-N 2.83Å; I112-A119 HydrophobicContact CG2-CB 4.03Å | ||
| 113 | S | 58.6 | Low | 80.6 | Confident | 61 Ų | 61 | 92.8 Ų | 92.8 | 43% | 0.427 | 48% | 0.481 | S | S | . | . | trans | -52.1 | 134.8 | 171.6 | 54.7 | 0 | 0 | 0 | 0 | 107.9 | R111 D115 C116 | R111-S113 VanDerWaalsContact C-N 3.28Å; R111-S113 PolarHBondContact O-N 3.13Å; S113-D115 PolarHBondContact O-N 3.5Å; S113-C116 VanDerWaalsContact O-CB 3.27Å; S113-C116 WeakPolarHBondContact O-CB 3.3Å; S113-C116 PolarHBondContact O-N 2.69Å; S113-C116 WeakPolarHBondContact OG-CB 3.14Å; S113-C116 PolarHBondContact OG-N 2.82Å | ||
| 114 | P | 65.2 | Low | 80.9 | Confident | 72 Ų | 72 | 87.7 Ų | 87.7 | 47% | 0.468 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -22.6 | 179.2 | 27 | -33.5 | 0 | 0 | 0 | 110.4 | R123 | P114-R123 VanDerWaalsContact O-CZ 3.27Å; P114-R123 PolarHBondContact O-NH1 3.03Å; P114-R123 PolarHBondContact O-NH2 3.44Å |
| 115 | D | 66.6 | Low | 81.1 | Confident | 121 Ų | 121 | 93.1 Ų | 93.1 | 65% | 0.647 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 3 | -178.5 | -46.8 | -48.1 | 0 | 0 | 0 | 113 | S113 | S113-D115 PolarHBondContact O-N 3.5Š|
| 116 | C | 78 | Confident | 81.2 | Confident | 41 Ų | 41 | 91.3 Ų | 91.3 | 28% | 0.277 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -55.5 | 130.1 | 168.5 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | S113 L118 A119 V120 | S113-C116 VanDerWaalsContact O-CB 3.27Å; S113-C116 WeakPolarHBondContact O-CB 3.3Å; S113-C116 PolarHBondContact O-N 2.69Å; S113-C116 WeakPolarHBondContact OG-CB 3.14Å; S113-C116 PolarHBondContact OG-N 2.82Å; C116-L118 CarbonylContact O-C 3.58Å; C116-L118 PolarHBondContact O-N 3.3Å; C116-A119 HydrophobicContact CB-CB 4.2Å; C116-A119 WeakPolarHBondContact O-CA 3.47Å; C116-A119 WeakPolarHBondContact O-CB 3.04Å; C116-A119 PolarHBondContact O-N 2.86Å; C116-V120 PolarHBondContact O-N 2.95Å; C116-V120 VanDerWaalsContact O-N 3.09Å |
| 117 | P | 81.7 | Confident | 81.1 | Confident | 97 Ų | 97 | 94.7 Ų | 94.7 | 63% | 0.63 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -51.6 | -28.3 | 179.6 | -29.1 | 34.3 | 0 | 0 | 0 | 113.1 | R121 | P117-R121 WeakPolarHBondContact O-CB 3.48Å; P117-R121 VanDerWaalsContact O-CG 3.22Å; P117-R121 WeakPolarHBondContact O-CG 2.92Å; P117-R121 PolarHBondContact O-N 2.66Å; P117-R121 PolarHBondContact O-NE 2.89Å |
| 118 | L | 84.9 | Confident | 81.1 | Confident | 94 Ų | 94 | 98.3 Ų | 98.3 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.3 | -45.2 | 173.6 | -171.6 | 64.2 | 0 | 0 | 0 | 112.7 | C116 V120 R121 I122 | C116-L118 CarbonylContact O-C 3.58Å; C116-L118 PolarHBondContact O-N 3.3Å; L118-V120 PolarHBondContact O-N 2.63Å; L118-R121 PolarHBondContact O-N 2.78Å; L118-I122 HydrophobicContact CD1-CD1 4.35Å; L118-I122 HydrophobicContact CG-CD1 3.97Å; L118-I122 VanDerWaalsContact O-CG1 3.28Å; L118-I122 WeakPolarHBondContact O-CG1 3.28Å; L118-I122 PolarHBondContact O-N 3.49Å |
| 119 | A | 84.5 | Confident | 81.3 | Confident | 13 Ų | 13 | 102.3 Ų | 102.3 | 11% | 0.107 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -64 | -41.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | I112 C116 I122 R123 | I112-A119 HydrophobicContact CG2-CB 4.03Å; C116-A119 HydrophobicContact CB-CB 4.2Å; C116-A119 WeakPolarHBondContact O-CA 3.47Å; C116-A119 WeakPolarHBondContact O-CB 3.04Å; C116-A119 PolarHBondContact O-N 2.86Å; A119-I122 PolarHBondContact O-N 3.24Å; A119-R123 PolarHBondContact O-N 2.89Å |
| 120 | V | 87.6 | Confident | 81.9 | Confident | 73 Ų | 73 | 106 Ų | 106 | 44% | 0.442 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62 | -46.4 | 175.9 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | C116 L118 I122 R123 G124 | C116-V120 PolarHBondContact O-N 2.95Å; C116-V120 VanDerWaalsContact O-N 3.09Å; L118-V120 PolarHBondContact O-N 2.63Å; V120-I122 PolarHBondContact O-N 3.28Å; V120-R123 PolarHBondContact O-N 2.76Å; V120-G124 PolarHBondContact O-N 2.92Å |
| 121 | R | 90.5 | Very high | 82.8 | Confident | 158 Ų | 158 | 105.2 Ų | 105.2 | 60% | 0.596 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59 | -46.5 | 176.1 | -76.3 | -175.4 | -65.1 | 160.3 | -3.3 | 112 | P117 L118 R123 G124 L125 | P117-R121 WeakPolarHBondContact O-CB 3.48Å; P117-R121 VanDerWaalsContact O-CG 3.22Å; P117-R121 WeakPolarHBondContact O-CG 2.92Å; P117-R121 PolarHBondContact O-N 2.66Å; P117-R121 PolarHBondContact O-NE 2.89Å; L118-R121 PolarHBondContact O-N 2.78Å; R121-R123 PolarHBondContact O-N 2.91Å; R121-G124 PolarHBondContact O-N 2.81Å; R121-L125 WeakPolarHBondContact O-CG 3.42Å; R121-L125 PolarHBondContact O-N 3.29Å |
| 122 | I | 90.3 | Very high | 84.1 | Confident | 86 Ų | 86 | 100.8 Ų | 100.8 | 44% | 0.441 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 178.5 | -67.9 | 166.3 | 0 | 0 | 0 | 110.9 | L118 A119 V120 G124 L125 L126 | L118-I122 HydrophobicContact CD1-CD1 4.35Å; L118-I122 HydrophobicContact CG-CD1 3.97Å; L118-I122 VanDerWaalsContact O-CG1 3.28Å; L118-I122 WeakPolarHBondContact O-CG1 3.28Å; L118-I122 PolarHBondContact O-N 3.49Å; A119-I122 PolarHBondContact O-N 3.24Å; V120-I122 PolarHBondContact O-N 3.28Å; I122-G124 PolarHBondContact O-N 3.08Å; I122-L125 PolarHBondContact O-N 3.01Å; I122-L126 HydrophobicContact CG2-CD1 3.91Å; I122-L126 HydrophobicContact CG2-CG 4.44Å; I122-L126 WeakPolarHBondContact O-CG 3.48Å; I122-L126 PolarHBondContact O-N 3.08Å |
| 123 | R | 88.2 | Confident | 85.4 | Confident | 122 Ų | 122 | 102.9 Ų | 102.9 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 175.7 | -76.5 | -160.1 | -64 | -91.8 | 2.2 | 112.2 | P114 A119 V120 R121 L126 H127 | P114-R123 VanDerWaalsContact O-CZ 3.27Å; P114-R123 PolarHBondContact O-NH1 3.03Å; P114-R123 PolarHBondContact O-NH2 3.44Å; A119-R123 PolarHBondContact O-N 2.89Å; V120-R123 PolarHBondContact O-N 2.76Å; R121-R123 PolarHBondContact O-N 2.91Å; R123-L126 PolarHBondContact O-N 3.07Å; R123-H127 WeakPolarHBondContact O-CB 3.38Å; R123-H127 PolarHBondContact O-N 2.94Å |
| 124 | G | 92.2 | Very high | 86.8 | Confident | 37 Ų | 37 | 102.5 Ų | 102.5 | 38% | 0.381 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V120 R121 I122 H127 H128 | V120-G124 PolarHBondContact O-N 2.92Å; R121-G124 PolarHBondContact O-N 2.81Å; I122-G124 PolarHBondContact O-N 3.08Å; G124-H127 PolarHBondContact O-N 2.99Å; G124-H128 PolarHBondContact O-N 2.88Å |
| 125 | L | 93.8 | Very high | 87.8 | Confident | 127 Ų | 127 | 106.9 Ų | 106.9 | 67% | 0.665 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.6 | -42.8 | 177.4 | -69 | 173.3 | 0 | 0 | 0 | 112.4 | R121 I122 H128 K129 | R121-L125 WeakPolarHBondContact O-CG 3.42Å; R121-L125 PolarHBondContact O-N 3.29Å; I122-L125 PolarHBondContact O-N 3.01Å; L125-H128 PolarHBondContact O-N 3.5Å; L125-K129 WeakPolarHBondContact O-CB 3.48Å; L125-K129 PolarHBondContact O-N 2.98Å |
| 126 | L | 92.3 | Very high | 88.6 | Confident | 109 Ų | 109 | 104.1 Ų | 104.1 | 57% | 0.571 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.3 | -41.3 | 177.2 | -72 | 170.2 | 0 | 0 | 0 | 111.9 | I122 R123 K129 K130 | I122-L126 HydrophobicContact CG2-CD1 3.91Å; I122-L126 HydrophobicContact CG2-CG 4.44Å; I122-L126 WeakPolarHBondContact O-CG 3.48Å; I122-L126 PolarHBondContact O-N 3.08Å; R123-L126 PolarHBondContact O-N 3.07Å; L126-K129 PolarHBondContact O-N 3.31Å; L126-K130 WeakPolarHBondContact O-CB 3.32Å; L126-K130 PolarHBondContact O-N 3.12Å |
| 127 | H | 91.5 | Very high | 88.9 | Confident | 115 Ų | 115 | 105.5 Ų | 105.5 | 53% | 0.532 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 176.4 | -166.7 | -107.6 | 0 | 0 | 0 | 111.6 | R123 G124 K129 K130 I131 | R123-H127 WeakPolarHBondContact O-CB 3.38Å; R123-H127 PolarHBondContact O-N 2.94Å; G124-H127 PolarHBondContact O-N 2.99Å; H127-K129 VanDerWaalsContact C-N 3.33Å; H127-K129 PolarHBondContact O-N 2.97Å; H127-K130 WeakPolarHBondContact O-CB 3.47Å; H127-K130 PolarHBondContact O-N 3.02Å; H127-I131 VanDerWaalsContact CE1-CD1 3.42Å; H127-I131 WeakPolarHBondContact CE1-CD1 3.45Å; H127-I131 VanDerWaalsContact ND1-CD1 3.34Å; H127-I131 WeakPolarHBondContact ND1-CD1 3.4Å; H127-I131 WeakPolarHBondContact O-CG1 3.33Å; H127-I131 PolarHBondContact O-N 3.32Å |
| 128 | H | 91.9 | Very high | 89 | Confident | 117 Ų | 117 | 103.7 Ų | 103.7 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.3 | -41.7 | 174.7 | -108.3 | 80.2 | 0 | 0 | 0 | 112.6 | G124 L125 I131 K132 | G124-H128 PolarHBondContact O-N 2.88Å; L125-H128 PolarHBondContact O-N 3.5Å; H128-I131 PolarHBondContact O-N 2.94Å; H128-K132 WeakPolarHBondContact O-CB 3.43Å; H128-K132 WeakPolarHBondContact O-CG 3.42Å; H128-K132 PolarHBondContact O-N 3.49Å |
| 129 | K | 92.4 | Very high | 88.8 | Confident | 157 Ų | 157 | 102.2 Ų | 102.2 | 68% | 0.683 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66 | -38.6 | 176.4 | -172.4 | 171.8 | 171.1 | 175.4 | 0 | 111.8 | L125 L126 H127 K133 | L125-K129 WeakPolarHBondContact O-CB 3.48Å; L125-K129 PolarHBondContact O-N 2.98Å; L126-K129 PolarHBondContact O-N 3.31Å; H127-K129 VanDerWaalsContact C-N 3.33Å; H127-K129 PolarHBondContact O-N 2.97Å; K129-K133 WeakPolarHBondContact O-CB 3.29Å; K129-K133 PolarHBondContact O-N 3.24Å |
| 130 | K | 92.9 | Very high | 88.5 | Confident | 159 Ų | 159 | 104.3 Ų | 104.3 | 69% | 0.691 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.7 | -45.5 | 174.4 | -170.9 | 178.3 | 178.9 | -177.2 | 0 | 111.5 | L126 H127 K133 A134 | L126-K130 WeakPolarHBondContact O-CB 3.32Å; L126-K130 PolarHBondContact O-N 3.12Å; H127-K130 WeakPolarHBondContact O-CB 3.47Å; H127-K130 PolarHBondContact O-N 3.02Å; K130-K133 PolarHBondContact O-N 3.38Å; K130-A134 WeakPolarHBondContact O-CB 3.44Å; K130-A134 PolarHBondContact O-N 3.46Å |
| 131 | I | 90.3 | Very high | 88 | Confident | 85 Ų | 85 | 103.4 Ų | 103.4 | 44% | 0.436 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 176.5 | -65.9 | 163.7 | 0 | 0 | 0 | 110.8 | H127 H128 K133 A134 K135 | H127-I131 VanDerWaalsContact CE1-CD1 3.42Å; H127-I131 WeakPolarHBondContact CE1-CD1 3.45Å; H127-I131 VanDerWaalsContact ND1-CD1 3.34Å; H127-I131 WeakPolarHBondContact ND1-CD1 3.4Å; H127-I131 WeakPolarHBondContact O-CG1 3.33Å; H127-I131 PolarHBondContact O-N 3.32Å; H128-I131 PolarHBondContact O-N 2.94Å; I131-K133 VanDerWaalsContact C-N 3.34Å; I131-K133 PolarHBondContact O-N 3.5Å; I131-A134 PolarHBondContact O-N 3.49Å; I131-K135 WeakPolarHBondContact O-CB 3.38Å; I131-K135 PolarHBondContact O-N 3.15Å |
| 132 | K | 90.4 | Very high | 87.4 | Confident | 150 Ų | 150 | 98.3 Ų | 98.3 | 65% | 0.652 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.7 | -42.7 | 178.4 | -74.8 | -177.7 | 178 | -174.6 | 0 | 112.2 | H128 K135 A136 | H128-K132 WeakPolarHBondContact O-CB 3.43Å; H128-K132 WeakPolarHBondContact O-CG 3.42Å; H128-K132 PolarHBondContact O-N 3.49Å; K132-K135 PolarHBondContact O-N 3.48Å; K132-A136 PolarHBondContact O-N 3.02Å |
| 133 | K | 88.8 | Confident | 86.7 | Confident | 166 Ų | 166 | 97.2 Ų | 97.2 | 72% | 0.722 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.2 | -43.6 | 176.6 | -171.6 | 175.5 | -178.5 | 178.4 | 0 | 111.9 | K129 K130 I131 K135 A136 S137 | K129-K133 WeakPolarHBondContact O-CB 3.29Å; K129-K133 PolarHBondContact O-N 3.24Å; K130-K133 PolarHBondContact O-N 3.38Å; I131-K133 VanDerWaalsContact C-N 3.34Å; I131-K133 PolarHBondContact O-N 3.5Å; K133-K135 VanDerWaalsContact C-N 3.34Å; K133-K135 PolarHBondContact O-N 3.25Å; K133-A136 PolarHBondContact O-N 2.74Å; K133-S137 PolarHBondContact O-N 3.31Å; K133-S137 PolarHBondContact O-OG 3.37Å; K133-S137 VanDerWaalsContact O-OG 3.13Å |
| 134 | A | 88.5 | Confident | 85.8 | Confident | 53 Ų | 53 | 99.5 Ų | 99.5 | 44% | 0.438 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.8 | -41.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K130 I131 S137 A138 | K130-A134 WeakPolarHBondContact O-CB 3.44Å; K130-A134 PolarHBondContact O-N 3.46Å; I131-A134 PolarHBondContact O-N 3.49Å; A134-S137 WeakPolarHBondContact CA-OG 3.29Å; A134-S137 PolarHBondContact O-N 3.45Å; A134-S137 PolarHBondContact O-OG 3.39Å; A134-A138 VanDerWaalsContact O-CB 3.32Å; A134-A138 WeakPolarHBondContact O-CB 3.37Å; A134-A138 PolarHBondContact O-N 3.35Å |
| 135 | K | 85.9 | Confident | 84.4 | Confident | 165 Ų | 165 | 105.3 Ų | 105.3 | 72% | 0.717 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.5 | -42.7 | 175.8 | -171.1 | 173.5 | -179.1 | 174.3 | 0 | 112 | I131 K132 K133 A138 A139 | I131-K135 WeakPolarHBondContact O-CB 3.38Å; I131-K135 PolarHBondContact O-N 3.15Å; K132-K135 PolarHBondContact O-N 3.48Å; K133-K135 VanDerWaalsContact C-N 3.34Å; K133-K135 PolarHBondContact O-N 3.25Å; K135-A138 PolarHBondContact O-N 3.44Å; K135-A139 WeakPolarHBondContact O-CB 3.26Å; K135-A139 PolarHBondContact O-N 3.07Å |
| 136 | A | 84.6 | Confident | 82.9 | Confident | 62 Ų | 62 | 106.9 Ų | 106.9 | 51% | 0.512 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.1 | -42.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K132 K133 A139 A140 | K132-A136 PolarHBondContact O-N 3.02Å; K133-A136 PolarHBondContact O-N 2.74Å; A136-A139 PolarHBondContact O-N 2.95Å; A136-A140 WeakPolarHBondContact O-CB 3.31Å; A136-A140 PolarHBondContact O-N 3.07Å |
| 137 | S | 84.5 | Confident | 81.3 | Confident | 70 Ų | 70 | 105.9 Ų | 105.9 | 49% | 0.49 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.9 | -35.6 | 175.8 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | K133 A134 A140 A141 | K133-S137 PolarHBondContact O-N 3.31Å; K133-S137 PolarHBondContact O-OG 3.37Å; K133-S137 VanDerWaalsContact O-OG 3.13Å; A134-S137 WeakPolarHBondContact CA-OG 3.29Å; A134-S137 PolarHBondContact O-N 3.45Å; A134-S137 PolarHBondContact O-OG 3.39Å; S137-A140 PolarHBondContact O-N 2.82Å; S137-A141 WeakPolarHBondContact O-CB 3.29Å; S137-A141 PolarHBondContact O-N 3.03Å |
| 138 | A | 82.9 | Confident | 79.5 | Confident | 59 Ų | 59 | 105 Ų | 105 | 49% | 0.488 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.2 | -42.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A134 K135 A141 A142 | A134-A138 VanDerWaalsContact O-CB 3.32Å; A134-A138 WeakPolarHBondContact O-CB 3.37Å; A134-A138 PolarHBondContact O-N 3.35Å; K135-A138 PolarHBondContact O-N 3.44Å; A138-A141 PolarHBondContact O-N 2.74Å; A138-A142 WeakPolarHBondContact O-CB 3.48Å; A138-A142 PolarHBondContact O-N 2.98Å |
| 139 | A | 81.1 | Confident | 77.9 | Confident | 63 Ų | 63 | 103.6 Ų | 103.6 | 52% | 0.521 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K135 A136 A142 A143 | K135-A139 WeakPolarHBondContact O-CB 3.26Å; K135-A139 PolarHBondContact O-N 3.07Å; A136-A139 PolarHBondContact O-N 2.95Å; A139-A142 PolarHBondContact O-N 3.06Å; A139-A143 PolarHBondContact O-N 3.03Å |
| 140 | A | 78.9 | Confident | 76.4 | Confident | 57 Ų | 57 | 101.5 Ų | 101.5 | 47% | 0.471 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.1 | -36.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | A136 S137 K144 | A136-A140 WeakPolarHBondContact O-CB 3.31Å; A136-A140 PolarHBondContact O-N 3.07Å; S137-A140 PolarHBondContact O-N 2.82Å; A140-K144 PolarHBondContact O-N 3.04Å |
| 141 | A | 77.1 | Confident | 74.5 | Confident | 55 Ų | 55 | 99.9 Ų | 99.9 | 46% | 0.455 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.8 | -40.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S137 A138 K144 Q145 | S137-A141 WeakPolarHBondContact O-CB 3.29Å; S137-A141 PolarHBondContact O-N 3.03Å; A138-A141 PolarHBondContact O-N 2.74Å; A141-K144 PolarHBondContact O-N 3.14Å; A141-Q145 PolarHBondContact O-N 3.02Å |
| 142 | A | 76.8 | Confident | 72.8 | Confident | 50 Ų | 50 | 100.2 Ų | 100.2 | 41% | 0.413 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -63.7 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A138 A139 K144 Q145 Q146 | A138-A142 WeakPolarHBondContact O-CB 3.48Å; A138-A142 PolarHBondContact O-N 2.98Å; A139-A142 PolarHBondContact O-N 3.06Å; A142-K144 VanDerWaalsContact C-N 3.26Å; A142-K144 PolarHBondContact O-N 3.1Å; A142-Q145 PolarHBondContact O-N 2.98Å; A142-Q145 VanDerWaalsContact O-N 3.16Å; A142-Q146 PolarHBondContact O-N 2.88Å |
| 143 | A | 76.3 | Confident | 71.2 | Confident | 63 Ų | 63 | 98.9 Ų | 98.9 | 52% | 0.521 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.8 | -30.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A139 | A139-A143 PolarHBondContact O-N 3.03Å |
| 144 | K | 68.4 | Low | 69.3 | Low | 170 Ų | 170 | 96.5 Ų | 96.5 | 74% | 0.739 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -73.8 | -27.5 | 176.3 | -76 | -172.7 | 177.5 | -170.8 | 0 | 113.6 | A140 A141 A142 Q146 | A140-K144 PolarHBondContact O-N 3.04Å; A141-K144 PolarHBondContact O-N 3.14Å; A142-K144 VanDerWaalsContact C-N 3.26Å; A142-K144 PolarHBondContact O-N 3.1Å; K144-Q146 VanDerWaalsContact C-N 3.34Å |
| 145 | Q | 64.2 | Low | 68 | Low | 159 Ų | 159 | 100 Ų | 100 | 74% | 0.743 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -76.1 | -23.4 | 177 | -69.9 | -175.7 | -18.1 | 0 | 0 | 112.7 | A141 A142 S148 | A141-Q145 PolarHBondContact O-N 3.02Å; A142-Q145 PolarHBondContact O-N 2.98Å; A142-Q145 VanDerWaalsContact O-N 3.16Å; Q145-S148 PolarHBondContact O-OG 3.42Å |
| 146 | Q | 60.4 | Low | 66 | Low | 160 Ų | 160 | 98.1 Ų | 98.1 | 75% | 0.748 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -82.2 | -15 | 176.2 | -108.3 | 166.9 | -40.9 | 0 | 0 | 114.3 | A142 K144 S149 | A142-Q146 PolarHBondContact O-N 2.88Å; K144-Q146 VanDerWaalsContact C-N 3.34Å; Q146-S149 PolarHBondContact O-OG 2.93Å |
| 147 | A | 58.7 | Low | 64.4 | Low | 89 Ų | 89 | 100.9 Ų | 100.9 | 74% | 0.736 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -5.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 148 | S | 55 | Low | 62.8 | Low | 95 Ų | 95 | 102.6 Ų | 102.6 | 66% | 0.664 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 13.7 | -179 | 59.2 | 0 | 0 | 0 | 0 | 114.5 | Q145 | Q145-S148 PolarHBondContact O-OG 3.42Š|
| 149 | S | 57.5 | Low | 61.1 | Low | 88 Ų | 88 | 107.2 Ų | 107.2 | 62% | 0.615 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -87.8 | 123.3 | 168.5 | 53.6 | 0 | 0 | 0 | 0 | 110.5 | Q146 | Q146-S149 PolarHBondContact O-OG 2.93Š|
| 150 | P | 60.8 | Low | 59.7 | Low | 113 Ų | 113 | 110.2 Ų | 110.2 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 148.2 | 178.3 | 27.4 | -33.3 | 0 | 0 | 0 | 111.6 | A152 | P150-A152 PolarHBondContact O-N 3.04Š|
| 151 | P | 53.8 | Low | 58.3 | Low | 126 Ų | 126 | 114.1 Ų | 114.1 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 123.9 | 178.1 | 29.6 | -31.9 | 0 | 0 | 0 | 109.9 | ||
| 152 | A | 54.4 | Low | 57.1 | Low | 91 Ų | 91 | 117 Ų | 117 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 136.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | P150 | P150-A152 PolarHBondContact O-N 3.04Š|
| 153 | P | 56.4 | Low | 55.7 | Low | 123 Ų | 123 | 122 Ų | 122 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 130.1 | 176.2 | 30.1 | -32.1 | 0 | 0 | 0 | 111.8 | ||
| 154 | S | 49.4 | Very low | 54.5 | Low | 115 Ų | 115 | 124.8 Ų | 124.8 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 137.1 | 173.3 | -35 | 0 | 0 | 0 | 0 | 112.1 | ||
| 155 | P | 59.9 | Low | 53.4 | Low | 126 Ų | 126 | 125.1 Ų | 125.1 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 121.4 | 156.6 | 31.3 | -26.3 | 0 | 0 | 0 | 111.6 | ||
| 156 | T | 46 | Very low | 52.8 | Low | 126 Ų | 126 | 122.5 Ų | 122.5 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 143.6 | 160.5 | -48.5 | 0 | 0 | 0 | 0 | 111.8 | ||
| 157 | T | 50.2 | Low | 52.5 | Low | 120 Ų | 120 | 120.8 Ų | 120.8 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | 150.3 | 138.6 | 116.3 | -39.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 158 | S | 51.5 | Low | 52.2 | Low | 106 Ų | 106 | 123.3 Ų | 123.3 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | 89.8 | 96.4 | 149.9 | 15.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 159 | N | 45.4 | Very low | 52.1 | Low | 156 Ų | 156 | 123.7 Ų | 123.7 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | 3.7 | 133.3 | 133.7 | -77 | 10.3 | 0 | 0 | 0 | 118.9 | ||||
| 160 | S | 52.9 | Low | 51.5 | Low | 127 Ų | 127 | 124.1 Ų | 124.1 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | -172.2 | 137.6 | 108 | -76.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 161 | N | 48.8 | Very low | 50.3 | Low | 138 Ų | 138 | 125 Ų | 125 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | -51.9 | 147.5 | 178.1 | -81.5 | -14.2 | 0 | 0 | 0 | 115.4 | ||||
| 162 | S | 51.9 | Low | 49.5 | Very low | 115 Ų | 115 | 122.8 Ų | 122.8 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -178.4 | 92.7 | 136.8 | -73.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 163 | H | 47 | Very low | 48.5 | Very low | 157 Ų | 157 | 122.9 Ų | 122.9 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | 44.2 | 96.1 | 94.3 | -68.7 | 44.3 | 0 | 0 | 0 | 114.4 | |||||
| 164 | S | 52.7 | Low | 47.7 | Very low | 121 Ų | 121 | 120.2 Ų | 120.2 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -165.3 | 134.2 | 131.8 | 29.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 165 | H | 45.1 | Very low | 47.1 | Very low | 176 Ų | 176 | 120.6 Ų | 120.6 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | trans | -79.6 | 148.1 | -175.1 | -66.8 | -101.1 | 0 | 0 | 0 | 112 | ||||
| 166 | S | 50.9 | Low | 46.2 | Very low | 105 Ų | 105 | 120.4 Ų | 120.4 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | 174.7 | 102.6 | 138.4 | -74.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 167 | T | 53.8 | Low | 45.6 | Very low | 123 Ų | 123 | 119.5 Ų | 119.5 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | 55.4 | 131.3 | 102.3 | 63.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 168 | N | 53.8 | Low | 44.9 | Very low | 142 Ų | 142 | 118.9 Ų | 118.9 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | cis | -164.9 | 144 | 11 | -127 | 4.9 | 0 | 0 | 0 | 109.1 | ||||
| 169 | S | 52.2 | Low | 44.1 | Very low | 104 Ų | 104 | 119.8 Ų | 119.8 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | 60.1 | 128.8 | 137.3 | 61.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 170 | A | 45.2 | Very low | 43.9 | Very low | 97 Ų | 97 | 117.9 Ų | 117.9 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | trans | 102.4 | 89 | 136.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 171 | C | 34.4 | Very low | 43.1 | Very low | 132 Ų | 132 | 117.1 Ų | 117.1 | 89% | 0.892 | 80% | 0.796 | S | S | * | * | trans | -50.1 | 141.3 | 150.8 | 49.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 172 | G | 37.9 | Very low | 42.7 | Very low | 79 Ų | 79 | 116 Ų | 116 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | 166.3 | 55.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | G174 | G172-G174 PolarHBondContact O-N 3.21Š| ||
| 173 | G | 33.8 | Very low | 42 | Very low | 92 Ų | 92 | 116.2 Ų | 116.2 | 95% | 0.948 | 80% | 0.801 | S | S | * | * | trans | -92.6 | 78.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 174 | G | 38.6 | Very low | 41.4 | Very low | 67 Ų | 67 | 114.4 Ų | 114.4 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | trans | -102.7 | 120.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | G172 | G172-G174 PolarHBondContact O-N 3.21Š| ||
| 175 | S | 36.5 | Very low | 41 | Very low | 124 Ų | 124 | 114.1 Ų | 114.1 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -14.7 | 132.2 | 162.6 | 37.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 176 | S | 41.2 | Very low | 40.6 | Very low | 121 Ų | 121 | 112.2 Ų | 112.2 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -147.5 | 130.5 | 143.6 | 57.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 177 | S | 34.9 | Very low | 40.5 | Very low | 107 Ų | 107 | 114.2 Ų | 114.2 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | -74.8 | 166.6 | 175.3 | 43.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 178 | S | 34.6 | Very low | 39.5 | Very low | 107 Ų | 107 | 113.3 Ų | 113.3 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | 73.3 | 110.6 | 157.3 | 64.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 179 | S | 35.2 | Very low | 39 | Very low | 125 Ų | 125 | 112.6 Ų | 112.6 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | 160.9 | 101.4 | 115.3 | 48.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 180 | S | 40.6 | Very low | 38.3 | Very low | 116 Ų | 116 | 114.6 Ų | 114.6 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | trans | -112 | 99.6 | 161.9 | 57.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 181 | S | 35.8 | Very low | 38.2 | Very low | 111 Ų | 111 | 117.9 Ų | 117.9 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -54.8 | 132.3 | 171.6 | 35.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 182 | S | 41.1 | Very low | 38.4 | Very low | 114 Ų | 114 | 115.2 Ų | 115.2 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -144.2 | 77.1 | 165.3 | -59.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 183 | S | 37.3 | Very low | 39 | Very low | 121 Ų | 121 | 120.6 Ų | 120.6 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | 27.3 | 98.2 | 144.7 | -43.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 184 | S | 33.6 | Very low | 39.3 | Very low | 119 Ų | 119 | 120.2 Ų | 120.2 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -82.7 | 114.3 | 158.8 | 50.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 185 | S | 44.2 | Very low | 39.7 | Very low | 114 Ų | 114 | 124 Ų | 124 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -93.4 | 119.8 | 167.5 | 55.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 186 | V | 38.1 | Very low | 40.2 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | trans | -57.2 | 133.1 | 172 | -69.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 187 | V | 48.7 | Very low | 40.1 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | trans | -138.8 | 119.5 | 152.3 | -71.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 188 | S | 32.9 | Very low | 40.3 | Very low | 105 Ų | 105 | 130 Ų | 130 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -83.6 | 140.2 | 173.1 | -159.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 189 | C | 41.8 | Very low | 40.6 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -151.8 | 106.4 | 144.9 | 48 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 190 | D | 37.7 | Very low | 40.9 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | trans | -57.7 | 135.6 | 160.1 | -66.9 | -90.7 | 0 | 0 | 0 | 109.6 | ||||
| 191 | D | 43.5 | Very low | 40.8 | Very low | 165 Ų | 165 | 128.3 Ų | 128.3 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -152.1 | 134.3 | 136.9 | -139.7 | -25.1 | 0 | 0 | 0 | 111.2 | ||||
| 192 | A | 37.6 | Very low | 40.9 | Very low | 76 Ų | 76 | 129.7 Ų | 129.7 | 63% | 0.628 | 81% | 0.805 | S | S | * | * | trans | -105.2 | 134.1 | -168.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 193 | M | 52.2 | Low | 40.9 | Very low | 192 Ų | 192 | 132.4 Ų | 132.4 | 95% | 0.946 | 81% | 0.809 | S | S | * | * | trans | -149.8 | 117.9 | 142.4 | -88.9 | -52.5 | 154.7 | 0 | 0 | 110.4 | ||||
| 194 | A | 39.2 | Very low | 40.7 | Very low | 85 Ų | 85 | 129.9 Ų | 129.9 | 70% | 0.702 | 80% | 0.803 | S | S | * | * | trans | -73.1 | 154 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 195 | I | 46.9 | Very low | 40.9 | Very low | 147 Ų | 147 | 128.8 Ų | 128.8 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | 179.3 | 114.3 | 116 | -88.5 | 168.9 | 0 | 0 | 0 | 110.9 | |||||
| 196 | Q | 46.7 | Very low | 40.8 | Very low | 157 Ų | 157 | 128.4 Ų | 128.4 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | 62.6 | 111.8 | 137 | -61.9 | 179.4 | 28.4 | 0 | 0 | 123.7 | ||||
| 197 | R | 40 | Very low | 41 | Very low | 239 Ų | 239 | 130.6 Ų | 130.6 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | 90.5 | 118.8 | 117.4 | -80.4 | -172.7 | 168.5 | -152.6 | -0.7 | 121.6 | |||||
| 198 | G | 39.7 | Very low | 40.9 | Very low | 80 Ų | 80 | 129.4 Ų | 129.4 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 93.9 | 116.5 | 145.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 199 | G | 39 | Very low | 41.2 | Very low | 74 Ų | 74 | 134.4 Ų | 134.4 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | cis | 82 | 106.9 | 36.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 200 | I | 42.1 | Very low | 41.6 | Very low | 177 Ų | 177 | 138.9 Ų | 138.9 | 91% | 0.908 | 80% | 0.795 | S | S | * | * | -175.5 | 133.3 | 68.3 | -83.3 | 154.4 | 0 | 0 | 0 | 108.2 | |||||
| 201 | G | 39.2 | Very low | 42.1 | Very low | 63 Ų | 63 | 135.6 Ų | 135.6 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | 89.4 | 96.2 | 114.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 202 | V | 37.8 | Very low | 42 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | 58.5 | 119.5 | 88.7 | 178.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 203 | L | 40.2 | Very low | 41.9 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | trans | 161.3 | 136.8 | 142.7 | -79.7 | -176.2 | 0 | 0 | 0 | 105.2 | ||||
| 204 | G | 34.7 | Very low | 41.4 | Very low | 68 Ų | 68 | 137.3 Ų | 137.3 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | cis | 121 | 110.2 | 28.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 205 | A | 37.1 | Very low | 41.1 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | 74.6 | 128.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 206 | S | 41.5 | Very low | 40.7 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | 41 | 99.6 | 145.4 | 62.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 207 | E | 42.2 | Very low | 40.1 | Very low | 183 Ų | 183 | 134.1 Ų | 134.1 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -155.2 | 109.2 | 153.7 | -149.5 | 90.9 | -140.5 | 0 | 0 | 111.6 | ||||
| 208 | V | 46.6 | Very low | 40 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | trans | 16.1 | 124.3 | 137.1 | -175.5 | 0 | 0 | 0 | 0 | 118.1 | R210 | V208-R210 PolarHBondContact O-N 3.4Š| ||
| 209 | Y | 39.7 | Very low | 40.4 | Very low | 210 Ų | 210 | 130.9 Ų | 130.9 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -52 | 120.9 | 165.1 | 176.1 | -98.4 | 0 | 0 | 0 | 112.2 | P211 | Y209-P211 HydrophobicContact CE1-CG 4.13Š| ||
| 210 | R | 50.7 | Low | 40.7 | Very low | 219 Ų | 219 | 136 Ų | 136 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | -149.8 | 118.5 | 165 | -151.6 | -174.6 | -174.1 | 121.6 | 1.3 | 109.2 | V208 E212 | V208-R210 PolarHBondContact O-N 3.4Å; R210-E212 PolarHBondContact O-N 3.15Å | ||
| 211 | P | 48.4 | Very low | 40.5 | Very low | 78 Ų | 78 | 136 Ų | 136 | 51% | 0.506 | 78% | 0.781 | S | S | . | * | trans | -84.9 | 109.8 | 171 | 8.3 | 8.5 | 0 | 0 | 0 | 108.9 | Y209 | Y209-P211 HydrophobicContact CE1-CG 4.13Š| ||
| 212 | E | 41.3 | Very low | 40.3 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -77.5 | 130 | 163.2 | -93.3 | -157 | 154.3 | 0 | 0 | 110.2 | R210 A214 | R210-E212 PolarHBondContact O-N 3.15Å; E212-A214 PolarHBondContact O-N 3.02Å | ||
| 213 | F | 34.3 | Very low | 40.5 | Very low | 203 Ų | 203 | 138.9 Ų | 138.9 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | -78.3 | 107.8 | 169.2 | -68.3 | -102.7 | 0 | 0 | 0 | 107.6 | ||||
| 214 | A | 41.4 | Very low | 41 | Very low | 89 Ų | 89 | 140.1 Ų | 140.1 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | -128.9 | 104.4 | 170 | 0 | 0 | 0 | 0 | 0 | 109.8 | E212 | E212-A214 PolarHBondContact O-N 3.02Š| ||
| 215 | T | 34.1 | Very low | 41.7 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 93% | 0.926 | 79% | 0.787 | S | S | * | * | trans | -33.8 | 116 | 167.1 | -38.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 216 | A | 37.6 | Very low | 41.9 | Very low | 100 Ų | 100 | 149.9 Ų | 149.9 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -163.7 | 118.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 217 | G | 35.1 | Very low | 41.7 | Very low | 70 Ų | 70 | 151 Ų | 151 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | 91.2 | 106 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 218 | A | 37.4 | Very low | 41.8 | Very low | 85 Ų | 85 | 147.9 Ų | 147.9 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | 39.9 | 95.3 | 62.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 219 | E | 48.4 | Very low | 41.7 | Very low | 166 Ų | 166 | 147.1 Ų | 147.1 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | -160.1 | 145.9 | 73 | -50.1 | -69.3 | 117.9 | 0 | 0 | 109.3 | |||||
| 220 | E | 45 | Very low | 41.8 | Very low | 183 Ų | 183 | 146.8 Ų | 146.8 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | 70.9 | 136.3 | 141.7 | -142.9 | 171.9 | -175.6 | 0 | 0 | 119.2 | ||||
| 221 | F | 38.5 | Very low | 41.3 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 77% | 0.772 | 80% | 0.797 | S | S | * | * | trans | 99.4 | 68.5 | 155.4 | -131.6 | -90.2 | 0 | 0 | 0 | 119.5 | ||||
| 222 | D | 35 | Very low | 41.1 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | -159.3 | 84.8 | 129.1 | -118.8 | -16.9 | 0 | 0 | 0 | 109.8 | W224 | D222-W224 PolarHBondContact OD1-NE1 3.22Š| |||
| 223 | S | 42.1 | Very low | 41.2 | Very low | 124 Ų | 124 | 147.4 Ų | 147.4 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | -133.9 | 43.3 | -175.7 | -161.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 224 | W | 49.3 | Very low | 41.9 | Very low | 197 Ų | 197 | 142.9 Ų | 142.9 | 75% | 0.746 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -127.3 | 30.3 | 176.9 | 64.3 | -76.6 | 0 | 0 | 0 | 112.4 | D222 | D222-W224 PolarHBondContact OD1-NE1 3.22Š|
| 225 | M | 49.1 | Very low | 41.6 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -145.2 | 42 | 175.1 | -150.1 | 172 | 126.8 | 0 | 0 | 112 | ||
| 226 | F | 42 | Very low | 42.1 | Very low | 195 Ų | 195 | 144 Ų | 144 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -156.4 | 119.5 | 158.5 | -137.6 | -97.5 | 0 | 0 | 0 | 111 | ||
| 227 | D | 38.1 | Very low | 42.1 | Very low | 129 Ų | 129 | 147 Ų | 147 | 69% | 0.69 | 81% | 0.81 | S | S | * | * | trans | 22.5 | 111.6 | 160.3 | -78.3 | -45.9 | 0 | 0 | 0 | 120.9 | A229 | D227-A229 PolarHBondContact O-N 2.97Š| ||
| 228 | S | 44.1 | Very low | 42.5 | Very low | 118 Ų | 118 | 149 Ų | 149 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.6 | 128.4 | 147.9 | -56.1 | 0 | 0 | 0 | 0 | 112 | ||
| 229 | A | 43.6 | Very low | 42.6 | Very low | 105 Ų | 105 | 152.8 Ų | 152.8 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.6 | 30.8 | 151.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | D227 | D227-A229 PolarHBondContact O-N 2.97Š|
| 230 | F | 43 | Very low | 42.4 | Very low | 203 Ų | 203 | 151.8 Ų | 151.8 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | trans | -126.2 | 63.6 | 169.4 | -162.5 | -93.7 | 0 | 0 | 0 | 113.1 | ||||
| 231 | A | 40.4 | Very low | 42.3 | Very low | 103 Ų | 103 | 146 Ų | 146 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -169.5 | 56.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 232 | Q | 43 | Very low | 42.7 | Very low | 176 Ų | 176 | 144 Ų | 144 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -152.8 | 70.8 | 165.6 | -169.6 | 171.4 | -25.2 | 0 | 0 | 110.6 | ||||
| 233 | F | 44.3 | Very low | 43.1 | Very low | 210 Ų | 210 | 144.3 Ų | 144.3 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -147.3 | 136.1 | 145.7 | -80.5 | -66.2 | 0 | 0 | 0 | 109.2 | ||
| 234 | P | 47.9 | Very low | 43.1 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -76.6 | 151 | -164.9 | 32 | -33.6 | 0 | 0 | 0 | 111.8 | L236 | P234-L236 PolarHBondContact O-N 2.9Š| ||
| 235 | A | 35.8 | Very low | 42.9 | Very low | 98 Ų | 98 | 140.2 Ų | 140.2 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -52.4 | 120.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 236 | L | 44.3 | Very low | 42.9 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | trans | -124.9 | 90.7 | 158.4 | -86 | 169.9 | 0 | 0 | 0 | 107.3 | P234 S238 | P234-L236 PolarHBondContact O-N 2.9Å; L236-S238 PolarHBondContact O-N 2.77Å | ||
| 237 | D | 37.4 | Very low | 43.1 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -54.3 | 108.7 | 150 | -82.9 | -43.2 | 0 | 0 | 0 | 108.2 | ||||
| 238 | S | 43.4 | Very low | 43.1 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -177.3 | 140.4 | 150.4 | -170.5 | 0 | 0 | 0 | 0 | 110.2 | L236 | L236-S238 PolarHBondContact O-N 2.77Š| ||
| 239 | F | 40.8 | Very low | 43.1 | Very low | 165 Ų | 165 | 133.7 Ų | 133.7 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | trans | 84.5 | 64 | 162.7 | -158.4 | -101.5 | 0 | 0 | 0 | 117.3 | A241 | F239-A241 WeakPolarHBondContact CE2-O 3.45Å; F239-A241 WeakPolarHBondContact CZ-O 3.5Å | ||
| 240 | V | 42.2 | Very low | 43.1 | Very low | 144 Ų | 144 | 132 Ų | 132 | 87% | 0.873 | 79% | 0.793 | S | S | * | * | -75.3 | 132.3 | 127.8 | -76.4 | 0 | 0 | 0 | 0 | 108 | |||||
| 241 | A | 43.2 | Very low | 43.2 | Very low | 63 Ų | 63 | 126.9 Ų | 126.9 | 52% | 0.521 | 79% | 0.787 | S | S | . | * | trans | 134.4 | 135.1 | 148.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F239 | F239-A241 WeakPolarHBondContact CE2-O 3.45Å; F239-A241 WeakPolarHBondContact CZ-O 3.5Å | ||
| 242 | V | 48.3 | Very low | 43.4 | Very low | 132 Ų | 132 | 127.5 Ų | 127.5 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | 95.3 | 82 | 157.1 | -164.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 243 | D | 43 | Very low | 43.6 | Very low | 146 Ų | 146 | 127.6 Ų | 127.6 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | 6.9 | 132.5 | 124.2 | -96 | -31.7 | 0 | 0 | 0 | 119.5 | |||||
| 244 | S | 42.5 | Very low | 44 | Very low | 105 Ų | 105 | 126 Ų | 126 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | 92.5 | 135.4 | 133.7 | 86 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 245 | V | 43.8 | Very low | 44 | Very low | 131 Ų | 131 | 125.1 Ų | 125.1 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | 96.2 | 98.1 | 152.8 | -172.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 246 | V | 49.6 | Very low | 44.4 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -71.7 | 147.8 | 154.3 | 174.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 247 | P | 45.6 | Very low | 44.4 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | -144.4 | 145.8 | 93.3 | 29.3 | -7.1 | 0 | 0 | 0 | 117.6 | |||||
| 248 | V | 40.1 | Very low | 44.6 | Very low | 132 Ų | 132 | 123.5 Ų | 123.5 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | -76.7 | 140.2 | 166.9 | 154.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 249 | A | 42.7 | Very low | 44.6 | Very low | 102 Ų | 102 | 122.7 Ų | 122.7 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | 177.1 | 137 | 142.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 250 | G | 43.8 | Very low | 45.2 | Very low | 70 Ų | 70 | 121.2 Ų | 121.2 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | cis | 171.3 | 173.7 | 5.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 251 | A | 44.4 | Very low | 45.8 | Very low | 94 Ų | 94 | 124.9 Ų | 124.9 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | trans | 69.7 | 129 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 252 | T | 44.7 | Very low | 46.1 | Very low | 116 Ų | 116 | 125 Ų | 125 | 71% | 0.712 | 78% | 0.777 | S | S | * | * | cis | -172.5 | 133.2 | 27.2 | 3.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 253 | E | 47.5 | Very low | 46.5 | Very low | 178 Ų | 178 | 121.8 Ų | 121.8 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | 67 | 85.4 | 140.7 | -39.7 | -86.1 | 135 | 0 | 0 | 120.1 | ||||
| 254 | E | 52.4 | Low | 47.3 | Very low | 177 Ų | 177 | 120.8 Ų | 120.8 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | 6.3 | 163.5 | 120 | -74 | -62.1 | 111.5 | 0 | 0 | 120 | |||||
| 255 | P | 49.4 | Very low | 47.9 | Very low | 90 Ų | 90 | 123.5 Ų | 123.5 | 58% | 0.584 | 76% | 0.758 | S | S | * | * | cis | -151.7 | -176.9 | -18.7 | 34.9 | -10.6 | 0 | 0 | 0 | 118.2 | ||||
| 256 | I | 42.5 | Very low | 49.9 | Very low | 153 Ų | 153 | 119.8 Ų | 119.8 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | 73.5 | 102.6 | 152.2 | -20.2 | 175.7 | 0 | 0 | 0 | 118.5 | ||||
| 257 | V | 45 | Very low | 51.6 | Low | 140 Ų | 140 | 119.4 Ų | 119.4 | 85% | 0.848 | 73% | 0.731 | S | S | * | * | S | Bend | 166.8 | 130.5 | 123.4 | 167.5 | 0 | 0 | 0 | 0 | 107.2 | |||
| 258 | A | 42.2 | Very low | 53.6 | Low | 97 Ų | 97 | 119.5 Ų | 119.5 | 80% | 0.802 | 72% | 0.719 | S | S | * | * | trans | 90.3 | 74 | 171.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 259 | A | 43.6 | Very low | 55.9 | Low | 97 Ų | 97 | 118.2 Ų | 118.2 | 80% | 0.802 | 70% | 0.704 | S | S | * | * | trans | -148.6 | 54 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 260 | T | 53.3 | Low | 58.2 | Low | 134 Ų | 134 | 122.2 Ų | 122.2 | 82% | 0.822 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -106.8 | 2.8 | 179.8 | 38.5 | 0 | 0 | 0 | 0 | 115 | ||
| 261 | R | 53.7 | Low | 60.5 | Low | 221 Ų | 221 | 121.2 Ų | 121.2 | 83% | 0.834 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -109.7 | -14.4 | -175.3 | -135.6 | 176 | -172.2 | 147.5 | 1.8 | 115.9 | ||
| 262 | G | 50.8 | Low | 62.8 | Low | 65 Ų | 65 | 122.1 Ų | 122.1 | 67% | 0.67 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -85 | -25.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 263 | A | 56.8 | Low | 65.1 | Low | 64 Ų | 64 | 120.5 Ų | 120.5 | 53% | 0.529 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -73.2 | -28 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M265 A266 E267 | A263-M265 PolarHBondContact O-N 2.69Å; A263-A266 PolarHBondContact O-N 3.31Å; A263-E267 WeakPolarHBondContact O-CB 3.07Å; A263-E267 PolarHBondContact O-N 3.43Å |
| 264 | E | 58.2 | Low | 67.3 | Low | 126 Ų | 126 | 118 Ų | 118 | 59% | 0.589 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.5 | -34.7 | -173.6 | -140.1 | -166.6 | 167.3 | 0 | 0 | 112.9 | E267 F268 | E264-E267 PolarHBondContact O-N 3.02Å; E264-F268 WeakPolarHBondContact O-CB 3.49Å; E264-F268 PolarHBondContact O-N 2.95Å |
| 265 | M | 57 | Low | 69.4 | Low | 162 Ų | 162 | 117.7 Ų | 117.7 | 80% | 0.798 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.5 | -37.9 | 175.2 | -103.8 | -160 | -178.3 | 0 | 0 | 112.3 | A263 F268 E269 | A263-M265 PolarHBondContact O-N 2.69Å; M265-F268 PolarHBondContact O-N 3.02Å; M265-E269 PolarHBondContact O-N 3.19Å |
| 266 | A | 84.4 | Confident | 71.5 | Confident | 53 Ų | 53 | 122.4 Ų | 122.4 | 44% | 0.438 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -70.1 | -35.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A263 R270 | A263-A266 PolarHBondContact O-N 3.31Å; A266-R270 WeakPolarHBondContact O-CB 3.42Å; A266-R270 WeakPolarHBondContact O-CG 3.09Å; A266-R270 PolarHBondContact O-N 3.05Å |
| 267 | E | 86.4 | Confident | 73.8 | Confident | 112 Ų | 112 | 120.3 Ų | 120.3 | 52% | 0.523 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.4 | -42.8 | 173.4 | -172.2 | 170 | -171 | 0 | 0 | 111.5 | A263 E264 E269 R270 I271 | A263-E267 WeakPolarHBondContact O-CB 3.07Å; A263-E267 PolarHBondContact O-N 3.43Å; E264-E267 PolarHBondContact O-N 3.02Å; E267-E269 PolarHBondContact O-N 2.68Å; E267-R270 PolarHBondContact O-N 3.47Å; E267-I271 HydrophobicContact CG-CD1 3.89Å; E267-I271 HydrophobicContact CG-CG1 4.42Å; E267-I271 WeakPolarHBondContact O-CB 3.37Å; E267-I271 WeakPolarHBondContact O-CG1 3.2Å; E267-I271 PolarHBondContact O-N 3.47Å |
| 268 | F | 86.7 | Confident | 76.1 | Confident | 126 Ų | 126 | 116.6 Ų | 116.6 | 55% | 0.553 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -59.4 | -46.1 | 176.3 | -178.4 | -97.8 | 0 | 0 | 0 | 113 | E264 M265 I271 K272 | E264-F268 WeakPolarHBondContact O-CB 3.49Å; E264-F268 PolarHBondContact O-N 2.95Å; M265-F268 PolarHBondContact O-N 3.02Å; F268-I271 PolarHBondContact O-N 3.3Å; F268-K272 PolarHBondContact O-N 3.33Å |
| 269 | E | 89.3 | Confident | 78.5 | Confident | 106 Ų | 106 | 115 Ų | 115 | 50% | 0.495 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.4 | -39.7 | 176.1 | -74.3 | -62.1 | 156.5 | 0 | 0 | 112 | M265 E267 I271 K272 V273 | M265-E269 PolarHBondContact O-N 3.19Å; E267-E269 PolarHBondContact O-N 2.68Å; E269-I271 PolarHBondContact O-N 2.95Å; E269-K272 PolarHBondContact O-N 3.46Å; E269-V273 WeakPolarHBondContact O-CG2 3.41Å; E269-V273 PolarHBondContact O-N 3.38Å |
| 270 | R | 90 | Very high | 80.7 | Confident | 185 Ų | 185 | 113.9 Ų | 113.9 | 70% | 0.698 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -59 | -46.1 | 172.8 | -76.5 | 173.2 | -174.4 | -88.3 | 0.8 | 111.7 | A266 E267 K272 V273 E274 | A266-R270 WeakPolarHBondContact O-CB 3.42Å; A266-R270 WeakPolarHBondContact O-CG 3.09Å; A266-R270 PolarHBondContact O-N 3.05Å; E267-R270 PolarHBondContact O-N 3.47Å; R270-K272 VanDerWaalsContact C-N 3.28Å; R270-K272 PolarHBondContact O-N 3.34Å; R270-V273 PolarHBondContact O-N 3.36Å; R270-E274 WeakPolarHBondContact O-CB 3.44Å; R270-E274 PolarHBondContact O-N 3.01Å |
| 271 | I | 93.1 | Very high | 82.4 | Confident | 50 Ų | 50 | 112.5 Ų | 112.5 | 26% | 0.256 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.2 | -37.9 | 177.2 | -70.1 | 164.9 | 0 | 0 | 0 | 110.9 | E267 F268 E269 E274 R275 | E267-I271 HydrophobicContact CG-CD1 3.89Å; E267-I271 HydrophobicContact CG-CG1 4.42Å; E267-I271 WeakPolarHBondContact O-CB 3.37Å; E267-I271 WeakPolarHBondContact O-CG1 3.2Å; E267-I271 PolarHBondContact O-N 3.47Å; F268-I271 PolarHBondContact O-N 3.3Å; E269-I271 PolarHBondContact O-N 2.95Å; I271-E274 PolarHBondContact O-N 2.98Å; I271-R275 HydrophobicContact CG2-CG 4.32Å; I271-R275 VanDerWaalsContact CG2-NH1 3.35Å; I271-R275 WeakPolarHBondContact O-CB 3.34Å; I271-R275 VanDerWaalsContact O-CG 3.28Å; I271-R275 WeakPolarHBondContact O-CG 3.17Å; I271-R275 PolarHBondContact O-N 3.47Å |
| 272 | K | 93.1 | Very high | 84.2 | Confident | 113 Ų | 113 | 111.3 Ų | 111.3 | 49% | 0.491 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.1 | -42.9 | 178.1 | -168.9 | 176.6 | -179.9 | -177.7 | 0 | 111.8 | F268 E269 R270 R276 | F268-K272 PolarHBondContact O-N 3.33Å; E269-K272 PolarHBondContact O-N 3.46Å; R270-K272 VanDerWaalsContact C-N 3.28Å; R270-K272 PolarHBondContact O-N 3.34Å; K272-R276 WeakPolarHBondContact O-CG 3.43Å; K272-R276 PolarHBondContact O-N 3.49Å; K272-R276 VanDerWaalsContact O-N 3.1Å |
| 273 | V | 92.1 | Very high | 85.8 | Confident | 82 Ų | 82 | 111.1 Ų | 111.1 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.2 | -46.3 | 174.7 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | E269 R270 R275 R276 I277 | E269-V273 WeakPolarHBondContact O-CG2 3.41Å; E269-V273 PolarHBondContact O-N 3.38Å; R270-V273 PolarHBondContact O-N 3.36Å; V273-R275 PolarHBondContact O-N 3.34Å; V273-R276 PolarHBondContact O-N 2.81Å; V273-R276 VanDerWaalsContact O-N 3.16Å; V273-I277 HydrophobicContact CG1-CD1 3.77Å; V273-I277 HydrophobicContact CG1-CG1 4.41Å; V273-I277 WeakPolarHBondContact O-CG1 3.34Å; V273-I277 PolarHBondContact O-N 3.36Å |
| 274 | E | 94.3 | Very high | 87 | Confident | 126 Ų | 126 | 113.8 Ų | 113.8 | 59% | 0.589 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.4 | -41.8 | 179.1 | -171.2 | 179.5 | 173.4 | 0 | 0 | 112.3 | R270 I271 R276 I277 S278 | R270-E274 WeakPolarHBondContact O-CB 3.44Å; R270-E274 PolarHBondContact O-N 3.01Å; I271-E274 PolarHBondContact O-N 2.98Å; E274-R276 VanDerWaalsContact C-N 3.34Å; E274-R276 PolarHBondContact O-N 2.93Å; E274-I277 PolarHBondContact O-N 2.89Å; E274-S278 VanDerWaalsContact O-CB 3.28Å; E274-S278 WeakPolarHBondContact O-CB 3.27Å; E274-S278 PolarHBondContact O-N 3.45Å; E274-S278 PolarHBondContact O-OG 2.92Å |
| 275 | R | 95.5 | Very high | 87.8 | Confident | 170 Ų | 170 | 112.4 Ų | 112.4 | 64% | 0.642 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.1 | -38.5 | 173.9 | -77.2 | 179.1 | 179.9 | 142.5 | 3.5 | 112.2 | I271 V273 A279 | I271-R275 HydrophobicContact CG2-CG 4.32Å; I271-R275 VanDerWaalsContact CG2-NH1 3.35Å; I271-R275 WeakPolarHBondContact O-CB 3.34Å; I271-R275 VanDerWaalsContact O-CG 3.28Å; I271-R275 WeakPolarHBondContact O-CG 3.17Å; I271-R275 PolarHBondContact O-N 3.47Å; V273-R275 PolarHBondContact O-N 3.34Å; R275-A279 VanDerWaalsContact O-CB 3.28Å; R275-A279 WeakPolarHBondContact O-CB 3.43Å; R275-A279 PolarHBondContact O-N 3.26Å |
| 276 | R | 93 | Very high | 88.3 | Confident | 189 Ų | 189 | 107.2 Ų | 107.2 | 71% | 0.713 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.8 | -46.4 | 175.2 | -75.7 | -178.2 | 74.6 | 178.3 | 5.3 | 111.5 | K272 V273 E274 S278 A279 S280 | K272-R276 WeakPolarHBondContact O-CG 3.43Å; K272-R276 PolarHBondContact O-N 3.49Å; K272-R276 VanDerWaalsContact O-N 3.1Å; V273-R276 PolarHBondContact O-N 2.81Å; V273-R276 VanDerWaalsContact O-N 3.16Å; E274-R276 VanDerWaalsContact C-N 3.34Å; E274-R276 PolarHBondContact O-N 2.93Å; R276-S278 VanDerWaalsContact C-N 3.34Å; R276-S278 PolarHBondContact O-N 3.44Å; R276-A279 PolarHBondContact O-N 2.93Å; R276-S280 PolarHBondContact O-N 3.32Å; R276-S280 PolarHBondContact O-OG 2.93Å; R276-S280 VanDerWaalsContact O-OG 3.1Å |
| 277 | I | 91.6 | Very high | 87.1 | Confident | 109 Ų | 109 | 108.2 Ų | 108.2 | 56% | 0.559 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.5 | -45.3 | 177.4 | -65.7 | 168.6 | 0 | 0 | 0 | 110 | V273 E274 S280 L281 | V273-I277 HydrophobicContact CG1-CD1 3.77Å; V273-I277 HydrophobicContact CG1-CG1 4.41Å; V273-I277 WeakPolarHBondContact O-CG1 3.34Å; V273-I277 PolarHBondContact O-N 3.36Å; E274-I277 PolarHBondContact O-N 2.89Å; I277-S280 PolarHBondContact O-N 3.13Å; I277-L281 VanDerWaalsContact O-CB 3.32Å; I277-L281 WeakPolarHBondContact O-CB 3.28Å; I277-L281 PolarHBondContact O-N 3.31Å |
| 278 | S | 94.3 | Very high | 85.9 | Confident | 62 Ų | 62 | 108 Ų | 108 | 43% | 0.434 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 179.3 | -58.2 | 0 | 0 | 0 | 0 | 112.6 | E274 R276 L281 Y282 | E274-S278 VanDerWaalsContact O-CB 3.28Å; E274-S278 WeakPolarHBondContact O-CB 3.27Å; E274-S278 PolarHBondContact O-N 3.45Å; E274-S278 PolarHBondContact O-OG 2.92Å; R276-S278 VanDerWaalsContact C-N 3.34Å; R276-S278 PolarHBondContact O-N 3.44Å; S278-L281 PolarHBondContact O-N 3.48Å; S278-Y282 WeakPolarHBondContact O-CB 3.48Å; S278-Y282 PolarHBondContact O-N 3.4Å |
| 279 | A | 90.9 | Very high | 84.7 | Confident | 63 Ų | 63 | 108.2 Ų | 108.2 | 52% | 0.521 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R275 R276 Y282 A283 | R275-A279 VanDerWaalsContact O-CB 3.28Å; R275-A279 WeakPolarHBondContact O-CB 3.43Å; R275-A279 PolarHBondContact O-N 3.26Å; R276-A279 PolarHBondContact O-N 2.93Å; A279-Y282 PolarHBondContact O-N 3.18Å; A279-A283 WeakPolarHBondContact O-CB 3.33Å; A279-A283 PolarHBondContact O-N 3.41Å |
| 280 | S | 90.5 | Very high | 83.3 | Confident | 74 Ų | 74 | 110 Ų | 110 | 52% | 0.517 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 174.4 | -62.6 | 0 | 0 | 0 | 0 | 111.8 | R276 I277 A283 M284 | R276-S280 PolarHBondContact O-N 3.32Å; R276-S280 PolarHBondContact O-OG 2.93Å; R276-S280 VanDerWaalsContact O-OG 3.1Å; I277-S280 PolarHBondContact O-N 3.13Å; S280-A283 PolarHBondContact O-N 3Å; S280-M284 WeakPolarHBondContact O-CB 3.45Å; S280-M284 VanDerWaalsContact O-CG 3.26Å; S280-M284 WeakPolarHBondContact O-CG 3.39Å; S280-M284 PolarHBondContact O-N 3.38Å |
| 281 | L | 89.8 | Confident | 81.9 | Confident | 104 Ų | 104 | 106 Ų | 106 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 177.1 | -174.2 | 66 | 0 | 0 | 0 | 111.1 | I277 S278 A283 M284 N285 | I277-L281 VanDerWaalsContact O-CB 3.32Å; I277-L281 WeakPolarHBondContact O-CB 3.28Å; I277-L281 PolarHBondContact O-N 3.31Å; S278-L281 PolarHBondContact O-N 3.48Å; L281-A283 PolarHBondContact O-N 3.4Å; L281-M284 PolarHBondContact O-N 3.41Å; L281-N285 WeakPolarHBondContact CD1-OD1 3.43Å; L281-N285 WeakPolarHBondContact O-CB 3.38Å; L281-N285 PolarHBondContact O-N 2.91Å; L281-N285 PolarHBondContact O-OD1 3.09Å |
| 282 | Y | 89.6 | Confident | 80.5 | Confident | 196 Ų | 196 | 107.4 Ų | 107.4 | 77% | 0.769 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.5 | -40.8 | 176 | -175.8 | -97.7 | 0 | 0 | 0 | 112.5 | S278 A279 M284 N285 G286 | S278-Y282 WeakPolarHBondContact O-CB 3.48Å; S278-Y282 PolarHBondContact O-N 3.4Å; A279-Y282 PolarHBondContact O-N 3.18Å; Y282-M284 VanDerWaalsContact C-N 3.33Å; Y282-M284 PolarHBondContact O-N 2.96Å; Y282-N285 PolarHBondContact O-N 3Å; Y282-G286 PolarHBondContact O-N 3.44Å; Y282-G286 VanDerWaalsContact O-N 3.16Å |
| 283 | A | 85.9 | Confident | 79.1 | Confident | 62 Ų | 62 | 111.4 Ų | 111.4 | 51% | 0.512 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.5 | -37.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A279 S280 L281 | A279-A283 WeakPolarHBondContact O-CB 3.33Å; A279-A283 PolarHBondContact O-N 3.41Å; S280-A283 PolarHBondContact O-N 3Å; L281-A283 PolarHBondContact O-N 3.4Å |
| 284 | M | 82.4 | Confident | 77.6 | Confident | 120 Ų | 120 | 110.7 Ų | 110.7 | 59% | 0.591 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -73.9 | -37.1 | 175.8 | -68.9 | -66.3 | -62.4 | 0 | 0 | 112.6 | S280 L281 Y282 G286 L287 Q288 | S280-M284 WeakPolarHBondContact O-CB 3.45Å; S280-M284 VanDerWaalsContact O-CG 3.26Å; S280-M284 WeakPolarHBondContact O-CG 3.39Å; S280-M284 PolarHBondContact O-N 3.38Å; L281-M284 PolarHBondContact O-N 3.41Å; Y282-M284 VanDerWaalsContact C-N 3.33Å; Y282-M284 PolarHBondContact O-N 2.96Å; M284-G286 VanDerWaalsContact C-N 3.28Å; M284-G286 PolarHBondContact O-N 2.95Å; M284-L287 WeakPolarHBondContact O-CA 3.39Å; M284-L287 VanDerWaalsContact O-CB 3.29Å; M284-L287 WeakPolarHBondContact O-CB 3.47Å; M284-L287 PolarHBondContact O-N 3.36Å; M284-L287 HydrophobicContact SD-CD1 4.09Å; M284-Q288 PolarHBondContact O-N 3.47Å |
| 285 | N | 73.5 | Confident | 75.9 | Confident | 97 Ų | 97 | 109.4 Ų | 109.4 | 52% | 0.519 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.8 | -32.2 | 177.1 | -81.3 | 43.5 | 0 | 0 | 0 | 111.9 | L281 Y282 L287 Q288 | L281-N285 WeakPolarHBondContact CD1-OD1 3.43Å; L281-N285 WeakPolarHBondContact O-CB 3.38Å; L281-N285 PolarHBondContact O-N 2.91Å; L281-N285 PolarHBondContact O-OD1 3.09Å; Y282-N285 PolarHBondContact O-N 3Å; N285-L287 PolarHBondContact O-N 3.25Å; N285-Q288 PolarHBondContact O-N 2.94Å |
| 286 | G | 67 | Low | 73.9 | Confident | 53 Ų | 53 | 107.5 Ų | 107.5 | 55% | 0.546 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67 | -23.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y282 M284 | Y282-G286 PolarHBondContact O-N 3.44Å; Y282-G286 VanDerWaalsContact O-N 3.16Å; M284-G286 VanDerWaalsContact C-N 3.28Å; M284-G286 PolarHBondContact O-N 2.95Å |
| 287 | L | 60.7 | Low | 72.1 | Confident | 74 Ų | 74 | 102.3 Ų | 102.3 | 39% | 0.387 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -79 | -27.7 | 172.8 | -80.7 | 162.9 | 0 | 0 | 0 | 112.3 | M284 N285 E289 Y290 F291 | M284-L287 WeakPolarHBondContact O-CA 3.39Å; M284-L287 VanDerWaalsContact O-CB 3.29Å; M284-L287 WeakPolarHBondContact O-CB 3.47Å; M284-L287 PolarHBondContact O-N 3.36Å; M284-L287 HydrophobicContact SD-CD1 4.09Å; N285-L287 PolarHBondContact O-N 3.25Å; L287-E289 VanDerWaalsContact C-N 3.33Å; L287-E289 PolarHBondContact O-N 3.29Å; L287-Y290 WeakPolarHBondContact O-CA 3.49Å; L287-Y290 WeakPolarHBondContact O-CB 3.36Å; L287-Y290 PolarHBondContact O-N 3.33Å; L287-F291 HydrophobicContact CB-CD2 4.38Å; L287-F291 HydrophobicContact CB-CE2 4.33Å; L287-F291 HydrophobicContact CD2-CE2 4.34Å; L287-F291 WeakPolarHBondContact O-CD2 3.48Å; L287-F291 PolarHBondContact O-N 3.39Å |
| 288 | Q | 59.9 | Low | 70.3 | Confident | 108 Ų | 108 | 101 Ų | 101 | 51% | 0.505 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 178.4 | -162.6 | 66.2 | 27.5 | 0 | 0 | 111.3 | M284 N285 Y290 F291 D292 | M284-Q288 PolarHBondContact O-N 3.47Å; N285-Q288 PolarHBondContact O-N 2.94Å; Q288-Y290 VanDerWaalsContact C-N 3.25Å; Q288-Y290 PolarHBondContact O-N 3.16Å; Q288-F291 PolarHBondContact O-N 3.42Å; Q288-F291 VanDerWaalsContact O-N 3.17Å; Q288-D292 PolarHBondContact O-N 2.95Å |
| 289 | E | 61.6 | Low | 68.3 | Low | 129 Ų | 129 | 101.7 Ų | 101.7 | 60% | 0.603 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.9 | -26.7 | 173.7 | -66.8 | -73.7 | 159.2 | 0 | 0 | 113.1 | L287 R293 | L287-E289 VanDerWaalsContact C-N 3.33Å; L287-E289 PolarHBondContact O-N 3.29Å; E289-R293 VanDerWaalsContact O-CB 3.26Å; E289-R293 WeakPolarHBondContact O-CB 3.47Å; E289-R293 WeakPolarHBondContact O-CD 3.32Å; E289-R293 WeakPolarHBondContact O-CG 3.47Å; E289-R293 PolarHBondContact O-N 2.91Å |
| 290 | Y | 60.5 | Low | 66.1 | Low | 143 Ų | 143 | 103.5 Ų | 103.5 | 56% | 0.561 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -74.4 | -43.6 | 172.3 | 177.8 | -96.7 | 0 | 0 | 0 | 110.8 | L287 Q288 R293 V294 | L287-Y290 WeakPolarHBondContact O-CA 3.49Å; L287-Y290 WeakPolarHBondContact O-CB 3.36Å; L287-Y290 PolarHBondContact O-N 3.33Å; Q288-Y290 VanDerWaalsContact C-N 3.25Å; Q288-Y290 PolarHBondContact O-N 3.16Å; Y290-R293 PolarHBondContact O-N 2.92Å; Y290-V294 HydrophobicContact CD1-CG2 4.24Å; Y290-V294 HydrophobicContact CD2-CG2 4.35Å; Y290-V294 HydrophobicContact CE1-CG2 3.92Å; Y290-V294 HydrophobicContact CE2-CG2 4.04Å; Y290-V294 HydrophobicContact CG-CG2 4.45Å; Y290-V294 VanDerWaalsContact O-CB 3.3Å; Y290-V294 WeakPolarHBondContact O-CB 3.5Å; Y290-V294 WeakPolarHBondContact O-CG2 3.42Å; Y290-V294 PolarHBondContact O-N 3.26Å |
| 291 | F | 61.6 | Low | 63.8 | Low | 102 Ų | 102 | 106.9 Ų | 106.9 | 45% | 0.447 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.2 | -39.6 | 177.9 | -76.1 | -68.6 | 0 | 0 | 0 | 112.6 | L287 Q288 R293 V294 L295 | L287-F291 HydrophobicContact CB-CD2 4.38Å; L287-F291 HydrophobicContact CB-CE2 4.33Å; L287-F291 HydrophobicContact CD2-CE2 4.34Å; L287-F291 WeakPolarHBondContact O-CD2 3.48Å; L287-F291 PolarHBondContact O-N 3.39Å; Q288-F291 PolarHBondContact O-N 3.42Å; Q288-F291 VanDerWaalsContact O-N 3.17Å; F291-R293 VanDerWaalsContact C-N 3.33Å; F291-R293 PolarHBondContact O-N 3.2Å; F291-V294 CarbonylContact O-C 3.58Å; F291-V294 PolarHBondContact O-N 2.97Å; F291-L295 HydrophobicContact CB-CD1 4.2Å; F291-L295 WeakPolarHBondContact O-CB 3.34Å; F291-L295 WeakPolarHBondContact O-CD1 3.47Å; F291-L295 WeakPolarHBondContact O-CG 3.38Å; F291-L295 PolarHBondContact O-N 3.38Å |
| 292 | D | 62.1 | Low | 61.6 | Low | 80 Ų | 80 | 106.8 Ų | 106.8 | 43% | 0.428 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.6 | -38.6 | 175.4 | -73.5 | -20.6 | 0 | 0 | 0 | 110.6 | Q288 V294 D296 | Q288-D292 PolarHBondContact O-N 2.95Å; D292-V294 PolarHBondContact O-N 3.4Å; D292-D296 VanDerWaalsContact O-CB 3.31Å; D292-D296 WeakPolarHBondContact O-CB 3.22Å; D292-D296 PolarHBondContact O-N 3.03Å |
| 293 | R | 63.6 | Low | 59.6 | Low | 196 Ų | 196 | 105.5 Ų | 105.5 | 74% | 0.74 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.5 | -34.2 | 172.6 | -76.5 | 176.3 | 144 | -166.4 | -5.9 | 113.8 | E289 Y290 F291 A297 | E289-R293 VanDerWaalsContact O-CB 3.26Å; E289-R293 WeakPolarHBondContact O-CB 3.47Å; E289-R293 WeakPolarHBondContact O-CD 3.32Å; E289-R293 WeakPolarHBondContact O-CG 3.47Å; E289-R293 PolarHBondContact O-N 2.91Å; Y290-R293 PolarHBondContact O-N 2.92Å; F291-R293 VanDerWaalsContact C-N 3.33Å; F291-R293 PolarHBondContact O-N 3.2Å; R293-A297 WeakPolarHBondContact O-CB 3.38Å; R293-A297 PolarHBondContact O-N 3.41Å |
| 294 | V | 60.5 | Low | 58.4 | Low | 68 Ų | 68 | 114.7 Ų | 114.7 | 41% | 0.412 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -80.1 | -32.6 | 178.7 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | Y290 F291 D292 S298 | Y290-V294 HydrophobicContact CD1-CG2 4.24Å; Y290-V294 HydrophobicContact CD2-CG2 4.35Å; Y290-V294 HydrophobicContact CE1-CG2 3.92Å; Y290-V294 HydrophobicContact CE2-CG2 4.04Å; Y290-V294 HydrophobicContact CG-CG2 4.45Å; Y290-V294 VanDerWaalsContact O-CB 3.3Å; Y290-V294 WeakPolarHBondContact O-CB 3.5Å; Y290-V294 WeakPolarHBondContact O-CG2 3.42Å; Y290-V294 PolarHBondContact O-N 3.26Å; F291-V294 CarbonylContact O-C 3.58Å; F291-V294 PolarHBondContact O-N 2.97Å; D292-V294 PolarHBondContact O-N 3.4Å; V294-S298 WeakPolarHBondContact O-CB 3.49Å; V294-S298 PolarHBondContact O-N 2.95Å |
| 295 | L | 58.8 | Low | 56.8 | Low | 99 Ų | 99 | 115.7 Ų | 115.7 | 52% | 0.518 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -81.6 | -40.9 | 179.3 | -78 | 154.9 | 0 | 0 | 0 | 112.2 | F291 A297 S298 A299 | F291-L295 HydrophobicContact CB-CD1 4.2Å; F291-L295 WeakPolarHBondContact O-CB 3.34Å; F291-L295 WeakPolarHBondContact O-CD1 3.47Å; F291-L295 WeakPolarHBondContact O-CG 3.38Å; F291-L295 PolarHBondContact O-N 3.38Å; L295-A297 VanDerWaalsContact C-N 3.29Å; L295-A297 PolarHBondContact O-N 3.44Å; L295-S298 CarbonylContact O-C 3.59Å; L295-S298 WeakPolarHBondContact O-CA 3.5Å; L295-S298 WeakPolarHBondContact O-CB 3.48Å; L295-S298 PolarHBondContact O-N 2.98Å; L295-S298 PolarHBondContact O-OG 3.5Å; L295-A299 PolarHBondContact O-N 3.04Å |
| 296 | D | 54.6 | Low | 55.6 | Low | 130 Ų | 130 | 118 Ų | 118 | 70% | 0.695 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.2 | -34.2 | 171 | -101.4 | -7.1 | 0 | 0 | 0 | 111.3 | D292 S298 A299 | D292-D296 VanDerWaalsContact O-CB 3.31Å; D292-D296 WeakPolarHBondContact O-CB 3.22Å; D292-D296 PolarHBondContact O-N 3.03Å; D296-S298 PolarHBondContact O-N 3.01Å; D296-A299 PolarHBondContact O-N 2.97Å |
| 297 | A | 54.3 | Low | 54.5 | Low | 79 Ų | 79 | 120.7 Ų | 120.7 | 65% | 0.653 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -17.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113 | R293 L295 | R293-A297 WeakPolarHBondContact O-CB 3.38Å; R293-A297 PolarHBondContact O-N 3.41Å; L295-A297 VanDerWaalsContact C-N 3.29Å; L295-A297 PolarHBondContact O-N 3.44Å |
| 298 | S | 53.7 | Low | 54 | Low | 83 Ų | 83 | 122.2 Ų | 122.2 | 58% | 0.58 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -14.5 | 176.4 | 83.2 | 0 | 0 | 0 | 0 | 113.8 | V294 L295 D296 | V294-S298 WeakPolarHBondContact O-CB 3.49Å; V294-S298 PolarHBondContact O-N 2.95Å; L295-S298 CarbonylContact O-C 3.59Å; L295-S298 WeakPolarHBondContact O-CA 3.5Å; L295-S298 WeakPolarHBondContact O-CB 3.48Å; L295-S298 PolarHBondContact O-N 2.98Å; L295-S298 PolarHBondContact O-OG 3.5Å; D296-S298 PolarHBondContact O-N 3.01Å |
| 299 | A | 54.1 | Low | 53.4 | Low | 75 Ų | 75 | 124.5 Ų | 124.5 | 62% | 0.62 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -96.5 | -1.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | L295 D296 | L295-A299 PolarHBondContact O-N 3.04Å; D296-A299 PolarHBondContact O-N 2.97Å |
| 300 | C | 44.2 | Very low | 52.9 | Low | 102 Ų | 102 | 124.2 Ų | 124.2 | 69% | 0.689 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -106 | 97.9 | 166 | -165 | 0 | 0 | 0 | 0 | 109.5 | S302 | C300-S302 PolarHBondContact O-N 3.38Š|
| 301 | D | 41.1 | Very low | 52.4 | Low | 145 Ų | 145 | 129.8 Ų | 129.8 | 78% | 0.775 | 71% | 0.711 | S | S | * | * | trans | -41.5 | 132.2 | 166.4 | -81.1 | -60.6 | 0 | 0 | 0 | 113 | ||||
| 302 | S | 43.7 | Very low | 52 | Low | 101 Ų | 101 | 131.2 Ų | 131.2 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | 80 | 30 | 142.2 | -54.7 | 0 | 0 | 0 | 0 | 120.8 | C300 W304 | C300-S302 PolarHBondContact O-N 3.38Å; S302-W304 PolarHBondContact O-N 3.39Å | ||
| 303 | L | 49 | Very low | 51.4 | Low | 169 Ų | 169 | 133.8 Ų | 133.8 | 89% | 0.885 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 52.6 | 170 | -159.6 | 83.2 | 0 | 0 | 0 | 113.8 | ||
| 304 | W | 60.6 | Low | 50.8 | Low | 255 Ų | 255 | 130.4 Ų | 130.4 | 97% | 0.966 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.5 | 15.2 | 171.4 | -68.8 | 98.9 | 0 | 0 | 0 | 113.7 | S302 | S302-W304 PolarHBondContact O-N 3.39Š|
| 305 | D | 48 | Very low | 50.2 | Low | 141 Ų | 141 | 134.1 Ų | 134.1 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | -122 | 94.1 | -178 | -144 | -3.7 | 0 | 0 | 0 | 113.6 | ||||
| 306 | L | 47.5 | Very low | 49.6 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | 38.1 | 132.8 | 144 | -66.9 | 171.2 | 0 | 0 | 0 | 124.6 | ||||
| 307 | S | 44.4 | Very low | 49.3 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | 95.3 | 160.7 | 140.6 | -54.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 308 | P | 50.7 | Low | 49 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | -134.9 | 178.1 | -58.4 | 38.9 | -22.4 | 0 | 0 | 0 | 112.5 | |||||
| 309 | L | 47.1 | Very low | 48.6 | Very low | 157 Ų | 157 | 145.2 Ų | 145.2 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | 71.8 | 122.9 | 158.5 | -66.4 | 158.2 | 0 | 0 | 0 | 119.5 | ||||
| 310 | C | 52.2 | Low | 48.1 | Very low | 122 Ų | 122 | 151.1 Ų | 151.1 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | 155.8 | 102.2 | 128.4 | -88.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 311 | H | 49.4 | Very low | 48.5 | Very low | 260 Ų | 260 | 155.5 Ų | 155.5 | 100% | 1.204 | 83% | 0.832 | S | S | * | * | -169 | 0 | 103.8 | -128.6 | -51 | 0 | 0 | 0 | 111.9 |
Retrieved 311 of 311 residues in 107.3 ms
(Link to these results)