| 1 | A | 61.3 | Low | 70.5 | Confident | 124 Ų | 124 | 119.6 Ų | 119.6 | 100% | 1.025 | 61% | 0.612 | S | S | * | * | | | | 0 | -23.3 | 0 | 0 | 0 | 0 | 0 | 0 | 112.9 | F3 V4 C5 | A1-F3 PolarHBondContact O-N 2.77Å; A1-V4 PolarHBondContact O-N 3.16Å; A1-C5 PolarHBondContact O-N 3.28Å |
| 2 | E | 57.3 | Low | 71 | Confident | 155 Ų | 155 | 121.5 Ų | 121.5 | 72% | 0.724 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -56.2 | -44 | -177 | -160.2 | 163.7 | 88.2 | 0 | 0 | 114.7 | V4 C5 E6 | E2-V4 VanDerWaalsContact C-N 3.28Å; E2-V4 PolarHBondContact O-N 3.32Å; E2-C5 PolarHBondContact O-N 3.01Å; E2-C5 VanDerWaalsContact O-N 3.15Å; E2-E6 PolarHBondContact O-N 2.92Å; E2-E6 VanDerWaalsContact O-N 3.07Å |
| 3 | F | 59.5 | Low | 71.3 | Confident | 154 Ų | 154 | 120.4 Ų | 120.4 | 68% | 0.675 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.1 | -26 | -177.1 | -153.9 | -102.8 | 0 | 0 | 0 | 114.8 | A1 | A1-F3 PolarHBondContact O-N 2.77Å |
| 4 | V | 65.2 | Low | 71.5 | Confident | 102 Ų | 102 | 115.3 Ų | 115.3 | 62% | 0.618 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -80.6 | -40.2 | 176.4 | 179.4 | 0 | 0 | 0 | 0 | 110.1 | A1 E2 T8 | A1-V4 PolarHBondContact O-N 3.16Å; E2-V4 VanDerWaalsContact C-N 3.28Å; E2-V4 PolarHBondContact O-N 3.32Å; V4-T8 VanDerWaalsContact O-CB 3.31Å; V4-T8 WeakPolarHBondContact O-CB 3.42Å; V4-T8 PolarHBondContact O-N 3.03Å; V4-T8 PolarHBondContact O-OG1 3.39Å; V4-T8 VanDerWaalsContact O-OG1 3.04Å |
| 5 | C | 76.3 | Confident | 71.4 | Confident | 86 Ų | 86 | 116.3 Ų | 116.3 | 58% | 0.581 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.3 | -47.1 | 176.8 | -70.8 | 0 | 0 | 0 | 0 | 111.7 | A1 E2 T8 L9 | A1-C5 PolarHBondContact O-N 3.28Å; E2-C5 PolarHBondContact O-N 3.01Å; E2-C5 VanDerWaalsContact O-N 3.15Å; C5-T8 PolarHBondContact O-N 3.36Å; C5-L9 PolarHBondContact O-N 3.43Å; C5-L9 WeakPolarHBondContact O-CB 3.38Å |
| 6 | E | 76.4 | Confident | 71.1 | Confident | 94 Ų | 94 | 111.9 Ų | 111.9 | 44% | 0.439 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.2 | -41.3 | -179.2 | -71.7 | -179.4 | 78.4 | 0 | 0 | 113.3 | E2 K10 | E2-E6 PolarHBondContact O-N 2.92Å; E2-E6 VanDerWaalsContact O-N 3.07Å; E6-K10 WeakPolarHBondContact O-CB 3.18Å; E6-K10 VanDerWaalsContact O-CG 3.32Å; E6-K10 WeakPolarHBondContact O-CG 3.41Å; E6-K10 PolarHBondContact O-N 3.43Å |
| 7 | R | 74.3 | Confident | 70.6 | Confident | 140 Ų | 140 | 107.1 Ų | 107.1 | 53% | 0.528 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.9 | -48.1 | 178 | -179.6 | -177.8 | -62.3 | -139.7 | -0.3 | 111.1 | K10 Y11 | R7-K10 PolarHBondContact O-N 2.97Å; R7-Y11 WeakPolarHBondContact O-CD2 3.19Å; R7-Y11 PolarHBondContact O-N 2.9Å; R7-Y11 HydrophobicContact CG-CE2 3.54Å; R7-Y11 HydrophobicContact CG-CD2 3.95Å |
| 8 | T | 80.7 | Confident | 70.1 | Confident | 62 Ų | 62 | 103.9 Ų | 103.9 | 38% | 0.38 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.2 | -42.6 | 178.9 | -65.8 | 0 | 0 | 0 | 0 | 111.3 | V4 C5 K10 Y11 F12 | V4-T8 VanDerWaalsContact O-CB 3.31Å; V4-T8 WeakPolarHBondContact O-CB 3.42Å; V4-T8 PolarHBondContact O-N 3.03Å; V4-T8 PolarHBondContact O-OG1 3.39Å; V4-T8 VanDerWaalsContact O-OG1 3.04Å; C5-T8 PolarHBondContact O-N 3.36Å; T8-K10 VanDerWaalsContact C-N 3.33Å; T8-K10 PolarHBondContact O-N 3.01Å; T8-Y11 WeakPolarHBondContact O-CB 3.32Å; T8-Y11 PolarHBondContact O-N 3.49Å; T8-Y11 VanDerWaalsContact O-N 3.13Å; T8-F12 PolarHBondContact O-N 2.88Å; T8-F12 WeakPolarHBondContact O-CD2 3.26Å; T8-F12 HydrophobicContact CG2-CD2 3.68Å; T8-F12 HydrophobicContact CG2-CE2 3.37Å |
| 9 | L | 76.9 | Confident | 69.4 | Low | 103 Ų | 103 | 107.4 Ų | 107.4 | 54% | 0.539 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.4 | -42.3 | 175.6 | -173.7 | 64.8 | 0 | 0 | 0 | 111.7 | C5 Y11 F12 L13 | C5-L9 PolarHBondContact O-N 3.43Å; C5-L9 WeakPolarHBondContact O-CB 3.38Å; L9-Y11 VanDerWaalsContact C-N 3.34Å; L9-Y11 PolarHBondContact O-N 3.38Å; L9-F12 PolarHBondContact O-N 3.3Å; L9-L13 HydrophobicContact CD1-CD1 4.33Å; L9-L13 HydrophobicContact CD1-CG 4.42Å; L9-L13 HydrophobicContact CG-CD1 3.92Å; L9-L13 HydrophobicContact CG-CG 4.41Å; L9-L13 WeakPolarHBondContact O-CB 3.27Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.46Å; L9-L13 PolarHBondContact O-N 3.45Å |
| 10 | K | 75.1 | Confident | 68.4 | Low | 143 Ų | 143 | 112.2 Ų | 112.2 | 62% | 0.622 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.4 | -38.4 | 173.7 | -76.4 | 172.1 | -178.1 | 173.4 | 0 | 112.7 | E6 R7 T8 G14 | E6-K10 WeakPolarHBondContact O-CB 3.18Å; E6-K10 VanDerWaalsContact O-CG 3.32Å; E6-K10 WeakPolarHBondContact O-CG 3.41Å; E6-K10 PolarHBondContact O-N 3.43Å; R7-K10 PolarHBondContact O-N 2.97Å; T8-K10 VanDerWaalsContact C-N 3.33Å; T8-K10 PolarHBondContact O-N 3.01Å; K10-G14 PolarHBondContact O-N 3.43Å |
| 11 | Y | 72.8 | Confident | 67.7 | Low | 153 Ų | 153 | 111.3 Ų | 111.3 | 60% | 0.6 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64 | -46.2 | 173.9 | -79.4 | -70.7 | 0 | 0 | 0 | 112.2 | R7 T8 L9 G14 I15 | R7-Y11 WeakPolarHBondContact O-CD2 3.19Å; R7-Y11 PolarHBondContact O-N 2.9Å; R7-Y11 HydrophobicContact CG-CE2 3.54Å; R7-Y11 HydrophobicContact CG-CD2 3.95Å; T8-Y11 WeakPolarHBondContact O-CB 3.32Å; T8-Y11 PolarHBondContact O-N 3.49Å; T8-Y11 VanDerWaalsContact O-N 3.13Å; L9-Y11 VanDerWaalsContact C-N 3.34Å; L9-Y11 PolarHBondContact O-N 3.38Å; Y11-G14 PolarHBondContact O-N 3.28Å; Y11-I15 PolarHBondContact O-N 2.81Å; Y11-I15 VanDerWaalsContact O-CG1 3.27Å; Y11-I15 WeakPolarHBondContact O-CG1 3.48Å |
| 12 | F | 75.8 | Confident | 67.3 | Low | 142 Ų | 142 | 111 Ų | 111 | 62% | 0.623 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.1 | -43.7 | 176.5 | -78.3 | -70.1 | 0 | 0 | 0 | 112.3 | T8 L9 I15 A16 | T8-F12 PolarHBondContact O-N 2.88Å; T8-F12 WeakPolarHBondContact O-CD2 3.26Å; T8-F12 HydrophobicContact CG2-CD2 3.68Å; T8-F12 HydrophobicContact CG2-CE2 3.37Å; L9-F12 PolarHBondContact O-N 3.3Å; F12-I15 PolarHBondContact O-N 3.01Å; F12-A16 PolarHBondContact O-N 3.04Å |
| 13 | L | 75.2 | Confident | 67.3 | Low | 107 Ų | 107 | 108.3 Ų | 108.3 | 56% | 0.56 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.1 | -34.8 | 177.9 | -68.4 | 173.9 | 0 | 0 | 0 | 112.6 | L9 A16 G17 | L9-L13 HydrophobicContact CD1-CD1 4.33Å; L9-L13 HydrophobicContact CD1-CG 4.42Å; L9-L13 HydrophobicContact CG-CD1 3.92Å; L9-L13 HydrophobicContact CG-CG 4.41Å; L9-L13 WeakPolarHBondContact O-CB 3.27Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.46Å; L9-L13 PolarHBondContact O-N 3.45Å; L13-A16 PolarHBondContact O-N 3.13Å; L13-G17 PolarHBondContact O-N 3.06Å |
| 14 | G | 75.1 | Confident | 67.2 | Low | 49 Ų | 49 | 110.6 Ų | 110.6 | 51% | 0.505 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.5 | -38.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K10 Y11 G18 | K10-G14 PolarHBondContact O-N 3.43Å; Y11-G14 PolarHBondContact O-N 3.28Å; G14-G18 PolarHBondContact O-N 3.39Å |
| 15 | I | 69.1 | Low | 66.8 | Low | 130 Ų | 130 | 114.7 Ų | 114.7 | 67% | 0.667 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.1 | -39.4 | 174.1 | -67.1 | 168.5 | 0 | 0 | 0 | 110.9 | Y11 F12 | Y11-I15 PolarHBondContact O-N 2.81Å; Y11-I15 VanDerWaalsContact O-CG1 3.27Å; Y11-I15 WeakPolarHBondContact O-CG1 3.48Å; F12-I15 PolarHBondContact O-N 3.01Å |
| 16 | A | 66.5 | Low | 65.4 | Low | 47 Ų | 47 | 118.9 Ų | 118.9 | 39% | 0.388 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -70.2 | -43.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F12 L13 K19 W20 | F12-A16 PolarHBondContact O-N 3.04Å; L13-A16 PolarHBondContact O-N 3.13Å; A16-K19 PolarHBondContact O-N 3.07Å; A16-W20 PolarHBondContact O-N 3.21Å; A16-W20 WeakPolarHBondContact O-CB 3.16Å |
| 17 | G | 63.5 | Low | 64.9 | Low | 30 Ų | 30 | 120.2 Ų | 120.2 | 31% | 0.309 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -68.3 | -38.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L13 K19 W20 V21 | L13-G17 PolarHBondContact O-N 3.06Å; G17-K19 VanDerWaalsContact C-N 3.3Å; G17-K19 PolarHBondContact O-N 3.15Å; G17-W20 PolarHBondContact O-N 3.44Å; G17-V21 WeakPolarHBondContact O-CB 3.31Å; G17-V21 WeakPolarHBondContact O-CG2 3.11Å; G17-V21 PolarHBondContact O-N 3.07Å |
| 18 | G | 60.6 | Low | 64.4 | Low | 49 Ų | 49 | 119.1 Ų | 119.1 | 51% | 0.505 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -64.2 | -32.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G14 | G14-G18 PolarHBondContact O-N 3.39Å |
| 19 | K | 56.7 | Low | 63.5 | Low | 171 Ų | 171 | 122.3 Ų | 122.3 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -82.1 | -33.1 | 174.8 | -175.6 | 165 | 172.5 | 172.3 | 0 | 112.7 | A16 G17 | A16-K19 PolarHBondContact O-N 3.07Å; G17-K19 VanDerWaalsContact C-N 3.3Å; G17-K19 PolarHBondContact O-N 3.15Å |
| 20 | W | 50.5 | Low | 62.7 | Low | 202 Ų | 202 | 123.4 Ų | 123.4 | 77% | 0.765 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73.1 | -37.2 | 177.4 | -93 | 65.3 | 0 | 0 | 0 | 113.5 | A16 G17 V22 S23 | A16-W20 PolarHBondContact O-N 3.21Å; A16-W20 WeakPolarHBondContact O-CB 3.16Å; G17-W20 PolarHBondContact O-N 3.44Å; W20-V22 PolarHBondContact O-N 3.33Å; W20-S23 PolarHBondContact O-N 3.04Å; W20-S23 VanDerWaalsContact O-N 3.16Å |
| 21 | V | 53.5 | Low | 61.9 | Low | 94 Ų | 94 | 122.2 Ų | 122.2 | 57% | 0.57 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -20.2 | -178.5 | 173.3 | 0 | 0 | 0 | 0 | 112.8 | G17 | G17-V21 WeakPolarHBondContact O-CB 3.31Å; G17-V21 WeakPolarHBondContact O-CG2 3.11Å; G17-V21 PolarHBondContact O-N 3.07Å |
| 22 | V | 51.9 | Low | 61.2 | Low | 118 Ų | 118 | 120.1 Ų | 120.1 | 72% | 0.715 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -12.1 | 176.1 | 178.4 | 0 | 0 | 0 | 0 | 112.8 | W20 | W20-V22 PolarHBondContact O-N 3.33Š|
| 23 | S | 57.2 | Low | 60.1 | Low | 99 Ų | 99 | 118.6 Ų | 118.6 | 69% | 0.692 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -100.4 | -3.8 | 176.4 | -66 | 0 | 0 | 0 | 0 | 114.7 | W20 | W20-S23 PolarHBondContact O-N 3.04Å; W20-S23 VanDerWaalsContact O-N 3.16Å |
| 24 | Y | 57.3 | Low | 59 | Low | 201 Ų | 201 | 119.5 Ų | 119.5 | 79% | 0.788 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -98.8 | 1.8 | -179.3 | -143.2 | -92.2 | 0 | 0 | 0 | 114.1 | | |
| 25 | F | 56.7 | Low | 57.6 | Low | 188 Ų | 188 | 125.3 Ų | 125.3 | 83% | 0.825 | 68% | 0.683 | S | S | * | * | | | trans | -117.7 | 39.4 | 174 | -75.5 | -80.2 | 0 | 0 | 0 | 111.7 | | |
| 26 | S | 48.3 | Very low | 56.6 | Low | 175 Ų | 175 | 124.9 Ų | 124.9 | 100% | 1.224 | 68% | 0.684 | S | S | * | * | | | trans | -88.4 | 0 | 157.1 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | | |