| 1 | S | 77.4 | Confident | 74 | Confident | 107 Ų | 107 | 102.6 Ų | 102.6 | 75% | 0.748 | 59% | 0.585 | S | S | * | * | | | | 0 | 155.8 | 0 | -175.2 | 0 | 0 | 0 | 0 | 109 | K3 D4 A5 | S1-K3 VanDerWaalsContact O-N 3.17Å; S1-K3 PolarHBondContact O-N 3.04Å; S1-D4 WeakPolarHBondContact CB-OD2 3.14Å; S1-D4 PolarHBondContact N-OD2 3.16Å; S1-D4 PolarHBondContact O-N 3.11Å; S1-D4 WeakPolarHBondContact CA-OD2 3.35Å; S1-A5 PolarHBondContact O-N 2.75Å |
| 2 | L | 67.1 | Low | 74.5 | Confident | 135 Ų | 135 | 99.8 Ų | 99.8 | 71% | 0.707 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -53.3 | -36.4 | 176.1 | -137.4 | 157.3 | 0 | 0 | 0 | 110.9 | D4 A5 E6 | L2-D4 VanDerWaalsContact C-N 3.34Å; L2-D4 PolarHBondContact O-N 3.24Å; L2-A5 PolarHBondContact O-N 2.95Å; L2-E6 HydrophobicContact CD2-CG 4.47Å; L2-E6 WeakPolarHBondContact O-CG 3.23Å; L2-E6 PolarHBondContact O-N 3.12Å |
| 3 | K | 72.4 | Confident | 74.3 | Confident | 158 Ų | 158 | 99.3 Ų | 99.3 | 69% | 0.687 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61 | -33.5 | 174.5 | -64.6 | 179.9 | 175.2 | -178.3 | 0 | 114.6 | S1 A7 | S1-K3 VanDerWaalsContact O-N 3.17Å; S1-K3 PolarHBondContact O-N 3.04Å; K3-A7 PolarHBondContact O-N 3.37Å |
| 4 | D | 73.6 | Confident | 74.7 | Confident | 98 Ų | 98 | 96.6 Ų | 96.6 | 52% | 0.524 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -79.2 | -31.1 | -177.6 | -49.8 | -40.8 | 0 | 0 | 0 | 110.9 | S1 L2 S8 | S1-D4 WeakPolarHBondContact CB-OD2 3.14Å; S1-D4 PolarHBondContact N-OD2 3.16Å; S1-D4 PolarHBondContact O-N 3.11Å; S1-D4 WeakPolarHBondContact CA-OD2 3.35Å; L2-D4 VanDerWaalsContact C-N 3.34Å; L2-D4 PolarHBondContact O-N 3.24Å; D4-S8 VanDerWaalsContact O-N 3.09Å; D4-S8 PolarHBondContact O-OG 3.27Å; D4-S8 PolarHBondContact O-N 3.39Å; D4-S8 WeakPolarHBondContact O-CB 3.48Å |
| 5 | A | 74.3 | Confident | 75 | Confident | 51 Ų | 51 | 96.7 Ų | 96.7 | 42% | 0.421 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.9 | -42.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1 L2 S8 L9 | S1-A5 PolarHBondContact O-N 2.75Å; L2-A5 PolarHBondContact O-N 2.95Å; A5-S8 PolarHBondContact O-N 3.16Å; A5-L9 VanDerWaalsContact O-CG 3.32Å; A5-L9 WeakPolarHBondContact O-CG 3.35Å; A5-L9 PolarHBondContact O-N 2.99Å |
| 6 | E | 75.5 | Confident | 74.5 | Confident | 107 Ų | 107 | 95.3 Ų | 95.3 | 50% | 0.5 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.8 | -46.2 | 175.5 | -69.4 | 174.4 | 142.3 | 0 | 0 | 111.7 | L2 S8 L9 Q10 | L2-E6 HydrophobicContact CD2-CG 4.47Å; L2-E6 WeakPolarHBondContact O-CG 3.23Å; L2-E6 PolarHBondContact O-N 3.12Å; E6-S8 VanDerWaalsContact C-N 3.32Å; E6-S8 PolarHBondContact O-N 3.22Å; E6-L9 PolarHBondContact O-N 3.25Å; E6-Q10 WeakPolarHBondContact O-CG 3.41Å; E6-Q10 PolarHBondContact O-N 3.27Å |
| 7 | A | 75.8 | Confident | 74.5 | Confident | 55 Ų | 55 | 99.6 Ų | 99.6 | 46% | 0.455 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.7 | -38.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K3 S11 | K3-A7 PolarHBondContact O-N 3.37Å; A7-S11 PolarHBondContact O-N 3.42Å; A7-S11 PolarHBondContact O-OG 3.2Å |
| 8 | S | 75.9 | Confident | 74.1 | Confident | 77 Ų | 77 | 100.7 Ų | 100.7 | 54% | 0.538 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.9 | -36 | 177.1 | -57.7 | 0 | 0 | 0 | 0 | 112.2 | D4 A5 E6 S11 D12 | D4-S8 VanDerWaalsContact O-N 3.09Å; D4-S8 PolarHBondContact O-OG 3.27Å; D4-S8 PolarHBondContact O-N 3.39Å; D4-S8 WeakPolarHBondContact O-CB 3.48Å; A5-S8 PolarHBondContact O-N 3.16Å; E6-S8 VanDerWaalsContact C-N 3.32Å; E6-S8 PolarHBondContact O-N 3.22Å; S8-S11 PolarHBondContact O-OG 3.19Å; S8-D12 PolarHBondContact O-N 3.31Å |
| 9 | L | 73.9 | Confident | 73.4 | Confident | 104 Ų | 104 | 101.9 Ų | 101.9 | 55% | 0.545 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -73.6 | -39 | 177.5 | -72.8 | 165.3 | 0 | 0 | 0 | 112.7 | A5 E6 S11 D12 | A5-L9 VanDerWaalsContact O-CG 3.32Å; A5-L9 WeakPolarHBondContact O-CG 3.35Å; A5-L9 PolarHBondContact O-N 2.99Å; E6-L9 PolarHBondContact O-N 3.25Å; L9-S11 VanDerWaalsContact C-N 3.25Å; L9-S11 PolarHBondContact O-N 2.99Å; L9-D12 WeakPolarHBondContact O-CB 3.32Å; L9-D12 PolarHBondContact O-N 3.32Å |
| 10 | Q | 72.5 | Confident | 72.5 | Confident | 148 Ų | 148 | 104.3 Ų | 104.3 | 69% | 0.692 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.3 | -25.4 | 178 | -73.6 | -178.1 | -26.7 | 0 | 0 | 113.2 | E6 | E6-Q10 WeakPolarHBondContact O-CG 3.41Å; E6-Q10 PolarHBondContact O-N 3.27Å |
| 11 | S | 75.3 | Confident | 72.5 | Confident | 89 Ų | 89 | 104.3 Ų | 104.3 | 62% | 0.622 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -3.5 | 176.4 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | A7 S8 L9 P13 | A7-S11 PolarHBondContact O-N 3.42Å; A7-S11 PolarHBondContact O-OG 3.2Å; S8-S11 PolarHBondContact O-OG 3.19Å; L9-S11 VanDerWaalsContact C-N 3.25Å; L9-S11 PolarHBondContact O-N 2.99Å; S11-P13 WeakPolarHBondContact O-CD 3.2Å |
| 12 | D | 80.3 | Confident | 72.2 | Confident | 68 Ų | 68 | 104.2 Ų | 104.2 | 36% | 0.364 | 60% | 0.601 | S | S | . | * | | | trans | -72.4 | 114.9 | 179.6 | -173.6 | -69.4 | 0 | 0 | 0 | 110.5 | S8 L9 A14 F15 C16 | S8-D12 PolarHBondContact O-N 3.31Å; L9-D12 WeakPolarHBondContact O-CB 3.32Å; L9-D12 PolarHBondContact O-N 3.32Å; D12-A14 PolarHBondContact O-N 3.37Å; D12-A14 VanDerWaalsContact O-N 3.16Å; D12-A14 VanDerWaalsContact OD1-CA 3.23Å; D12-A14 WeakPolarHBondContact OD1-CA 3.41Å; D12-A14 WeakPolarHBondContact OD1-CB 3.08Å; D12-A14 PolarHBondContact OD1-N 2.81Å; D12-F15 PolarHBondContact O-N 3.37Å; D12-F15 PolarHBondContact OD1-N 3.17Å; D12-F15 VanDerWaalsContact O-N 3.12Å; D12-F15 WeakPolarHBondContact O-CB 3.49Å; D12-F15 HydrophobicContact CB-CB 4.02Å; D12-C16 PolarHBondContact O-N 2.73Å; D12-C16 VanDerWaalsContact O-N 3.16Å |
| 13 | P | 72.1 | Confident | 72.5 | Confident | 94 Ų | 94 | 102.4 Ų | 102.4 | 61% | 0.61 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -18.2 | -177.6 | -21.8 | 34.7 | 0 | 0 | 0 | 114 | S11 K17 | S11-P13 WeakPolarHBondContact O-CD 3.2Å; P13-K17 WeakPolarHBondContact O-CG 3.36Å |
| 14 | A | 80.1 | Confident | 72.5 | Confident | 61 Ų | 61 | 99.2 Ų | 99.2 | 50% | 0.504 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.8 | -37.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D12 K17 | D12-A14 PolarHBondContact O-N 3.37Å; D12-A14 VanDerWaalsContact O-N 3.16Å; D12-A14 VanDerWaalsContact OD1-CA 3.23Å; D12-A14 WeakPolarHBondContact OD1-CA 3.41Å; D12-A14 WeakPolarHBondContact OD1-CB 3.08Å; D12-A14 PolarHBondContact OD1-N 2.81Å; A14-K17 PolarHBondContact O-N 3.09Å |
| 15 | F | 78.2 | Confident | 72.5 | Confident | 99 Ų | 99 | 99.3 Ų | 99.3 | 43% | 0.434 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -60.3 | -45.8 | 171.8 | -176.2 | -98.4 | 0 | 0 | 0 | 111.6 | D12 K17 V18 I19 | D12-F15 PolarHBondContact O-N 3.37Å; D12-F15 PolarHBondContact OD1-N 3.17Å; D12-F15 VanDerWaalsContact O-N 3.12Å; D12-F15 WeakPolarHBondContact O-CB 3.49Å; D12-F15 HydrophobicContact CB-CB 4.02Å; F15-K17 PolarHBondContact O-N 2.93Å; F15-K17 VanDerWaalsContact O-N 3.11Å; F15-V18 PolarHBondContact O-N 2.69Å; F15-I19 HydrophobicContact CE1-CD1 3.92Å; F15-I19 HydrophobicContact CE2-CD1 4.4Å; F15-I19 HydrophobicContact CZ-CD1 3.69Å |
| 16 | C | 67.6 | Low | 72.3 | Confident | 73 Ų | 73 | 102.5 Ų | 102.5 | 49% | 0.493 | 61% | 0.606 | S | S | . | * | G | 310 helix | trans | -60.9 | -21.7 | 177.9 | -67.6 | 0 | 0 | 0 | 0 | 114 | D12 V18 | D12-C16 PolarHBondContact O-N 2.73Å; D12-C16 VanDerWaalsContact O-N 3.16Å; C16-V18 VanDerWaalsContact C-N 3.33Å |
| 17 | K | 74.3 | Confident | 72.1 | Confident | 170 Ų | 170 | 102.1 Ų | 102.1 | 74% | 0.739 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -79.3 | -14 | 177.2 | -73 | 171.9 | -173.8 | 178.6 | 0 | 113.8 | P13 A14 F15 | P13-K17 WeakPolarHBondContact O-CG 3.36Å; A14-K17 PolarHBondContact O-N 3.09Å; F15-K17 PolarHBondContact O-N 2.93Å; F15-K17 VanDerWaalsContact O-N 3.11Å |
| 18 | V | 67.9 | Low | 71.8 | Confident | 118 Ų | 118 | 105.8 Ų | 105.8 | 72% | 0.715 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -27 | -178.4 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | F15 C16 | F15-V18 PolarHBondContact O-N 2.69Å; C16-V18 VanDerWaalsContact C-N 3.33Å |
| 19 | I | 61.4 | Low | 71.5 | Confident | 124 Ų | 124 | 108.2 Ų | 108.2 | 64% | 0.636 | 63% | 0.633 | S | S | * | * | | | trans | -121.9 | 21.2 | -173.1 | -33.3 | 177.5 | 0 | 0 | 0 | 111.8 | F15 | F15-I19 HydrophobicContact CE1-CD1 3.92Å; F15-I19 HydrophobicContact CE2-CD1 4.4Å; F15-I19 HydrophobicContact CZ-CD1 3.69Å |
| 20 | A | 54.4 | Low | 71.3 | Confident | 150 Ų | 150 | 108.5 Ų | 108.5 | 100% | 1.24 | 64% | 0.641 | S | S | * | * | | | trans | -70.1 | 0 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |