| 1 | M | 48.8 | Very low | 58.5 | Low | 244 Ų | 244 | 106.5 Ų | 106.5 | 100% | 1.202 | 64% | 0.637 | S | S | * | * | | | | 0 | 70.7 | 0 | -162.4 | 161.7 | -176.7 | 0 | 0 | 109.2 | | |
| 2 | A | 53.6 | Low | 59.8 | Low | 93 Ų | 93 | 105 Ų | 105 | 77% | 0.769 | 63% | 0.628 | S | S | * | * | | | trans | -130.4 | 23.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 3 | A | 56.6 | Low | 61 | Low | 53 Ų | 53 | 102.8 Ų | 102.8 | 44% | 0.438 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -105 | -7.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R7 | A3-R7 VanDerWaalsContact O-CG 3.3Å; A3-R7 WeakPolarHBondContact O-CD 3.49Å; A3-R7 WeakPolarHBondContact O-CG 3.38Å |
| 4 | A | 58.7 | Low | 62.4 | Low | 73 Ų | 73 | 99.4 Ų | 99.4 | 60% | 0.603 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -80.9 | -34.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L6 R7 A8 | A4-L6 PolarHBondContact O-N 3.46Å; A4-R7 PolarHBondContact O-N 2.98Å; A4-A8 PolarHBondContact O-N 3.24Å |
| 5 | A | 55.8 | Low | 63.8 | Low | 82 Ų | 82 | 101.9 Ų | 101.9 | 68% | 0.678 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.2 | -28.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | P9 | A5-P9 WeakPolarHBondContact O-CD 3.33Å |
| 6 | L | 57.4 | Low | 65.1 | Low | 129 Ų | 129 | 101.8 Ų | 101.8 | 68% | 0.675 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -83.7 | -19.2 | 176.3 | -71.6 | 166.2 | 0 | 0 | 0 | 113.4 | A4 P9 T10 | A4-L6 PolarHBondContact O-N 3.46Å; L6-P9 WeakPolarHBondContact O-CD 3.39Å; L6-P9 WeakPolarHBondContact O-CG 3.41Å; L6-T10 PolarHBondContact O-OG1 3.34Å |
| 7 | R | 56.8 | Low | 66.2 | Low | 155 Ų | 155 | 103.7 Ų | 103.7 | 59% | 0.585 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -79.1 | -30.9 | 178.1 | -77.3 | 175.6 | 178.6 | 168.2 | -0.3 | 112.9 | A3 A4 T10 Q11 | A3-R7 VanDerWaalsContact O-CG 3.3Å; A3-R7 WeakPolarHBondContact O-CD 3.49Å; A3-R7 WeakPolarHBondContact O-CG 3.38Å; A4-R7 PolarHBondContact O-N 2.98Å; R7-T10 PolarHBondContact O-OG1 3.32Å; R7-T10 VanDerWaalsContact O-OG1 3.1Å; R7-T10 WeakPolarHBondContact CA-OG1 3.37Å; R7-T10 VanDerWaalsContact CA-OG1 3.27Å; R7-Q11 WeakPolarHBondContact O-CB 3.36Å; R7-Q11 WeakPolarHBondContact O-CG 3.45Å; R7-Q11 PolarHBondContact O-N 3.04Å; R7-Q11 PolarHBondContact O-NE2 3.29Å |
| 8 | A | 58.2 | Low | 67.3 | Low | 56 Ų | 56 | 109.4 Ų | 109.4 | 46% | 0.463 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62.1 | -51.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A4 T10 Q11 V12 | A4-A8 PolarHBondContact O-N 3.24Å; A8-T10 PolarHBondContact O-N 3.33Å; A8-Q11 PolarHBondContact O-N 3.31Å; A8-V12 VanDerWaalsContact O-N 3.11Å; A8-V12 WeakPolarHBondContact O-CG2 3.26Å; A8-V12 PolarHBondContact O-N 2.95Å |
| 9 | P | 60.8 | Low | 68.3 | Low | 69 Ų | 69 | 109.5 Ų | 109.5 | 45% | 0.448 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.2 | -36 | 179.3 | 25.4 | -33.9 | 0 | 0 | 0 | 112.2 | A5 L6 V12 V13 | A5-P9 WeakPolarHBondContact O-CD 3.33Å; L6-P9 WeakPolarHBondContact O-CD 3.39Å; L6-P9 WeakPolarHBondContact O-CG 3.41Å; P9-V12 PolarHBondContact O-N 3.46Å; P9-V13 WeakPolarHBondContact O-CB 3.42Å; P9-V13 VanDerWaalsContact O-CG2 3.24Å; P9-V13 WeakPolarHBondContact O-CG2 3.46Å; P9-V13 PolarHBondContact O-N 3.45Å |
| 10 | T | 65.6 | Low | 69.2 | Low | 87 Ų | 87 | 110.6 Ų | 110.6 | 53% | 0.534 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.7 | -35.3 | 177.5 | 40.1 | 0 | 0 | 0 | 0 | 112.7 | L6 R7 A8 A14 | L6-T10 PolarHBondContact O-OG1 3.34Å; R7-T10 PolarHBondContact O-OG1 3.32Å; R7-T10 VanDerWaalsContact O-OG1 3.1Å; R7-T10 WeakPolarHBondContact CA-OG1 3.37Å; R7-T10 VanDerWaalsContact CA-OG1 3.27Å; A8-T10 PolarHBondContact O-N 3.33Å; T10-A14 WeakPolarHBondContact O-CB 3.32Å; T10-A14 PolarHBondContact O-N 2.98Å |
| 11 | Q | 71.3 | Confident | 70 | Confident | 130 Ų | 130 | 114.5 Ų | 114.5 | 61% | 0.607 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.6 | -41.5 | 173.2 | -76 | 174.7 | 43.5 | 0 | 0 | 112.4 | R7 A8 A14 M15 | R7-Q11 WeakPolarHBondContact O-CB 3.36Å; R7-Q11 WeakPolarHBondContact O-CG 3.45Å; R7-Q11 PolarHBondContact O-N 3.04Å; R7-Q11 PolarHBondContact O-NE2 3.29Å; A8-Q11 PolarHBondContact O-N 3.31Å; Q11-A14 PolarHBondContact O-N 2.96Å; Q11-M15 PolarHBondContact O-N 3.36Å; Q11-M15 WeakPolarHBondContact O-CB 3.22Å |
| 12 | V | 74.4 | Confident | 71.9 | Confident | 89 Ų | 89 | 108.1 Ų | 108.1 | 54% | 0.539 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.2 | -47.9 | 176.9 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | A8 P9 A14 M15 E16 | A8-V12 VanDerWaalsContact O-N 3.11Å; A8-V12 WeakPolarHBondContact O-CG2 3.26Å; A8-V12 PolarHBondContact O-N 2.95Å; P9-V12 PolarHBondContact O-N 3.46Å; V12-A14 VanDerWaalsContact C-N 3.34Å; V12-A14 PolarHBondContact O-N 3.47Å; V12-M15 PolarHBondContact O-N 3.42Å; V12-E16 PolarHBondContact O-N 2.96Å |
| 13 | V | 75.5 | Confident | 73.3 | Confident | 77 Ų | 77 | 108.1 Ų | 108.1 | 47% | 0.467 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.1 | -41.5 | 177.5 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | P9 M15 E16 Q17 | P9-V13 WeakPolarHBondContact O-CB 3.42Å; P9-V13 VanDerWaalsContact O-CG2 3.24Å; P9-V13 WeakPolarHBondContact O-CG2 3.46Å; P9-V13 PolarHBondContact O-N 3.45Å; V13-M15 VanDerWaalsContact C-N 3.35Å; V13-M15 PolarHBondContact O-N 2.93Å; V13-E16 PolarHBondContact O-N 3.41Å; V13-Q17 WeakPolarHBondContact O-CG 3.16Å; V13-Q17 PolarHBondContact O-N 2.9Å |
| 14 | A | 80.4 | Confident | 74.5 | Confident | 54 Ų | 54 | 111.3 Ų | 111.3 | 45% | 0.446 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.7 | -38.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T10 Q11 V12 R18 | T10-A14 WeakPolarHBondContact O-CB 3.32Å; T10-A14 PolarHBondContact O-N 2.98Å; Q11-A14 PolarHBondContact O-N 2.96Å; V12-A14 VanDerWaalsContact C-N 3.34Å; V12-A14 PolarHBondContact O-N 3.47Å; A14-R18 PolarHBondContact O-N 3.33Å; A14-R18 WeakPolarHBondContact O-CB 3.35Å |
| 15 | M | 83.9 | Confident | 75.5 | Confident | 138 Ų | 138 | 111.3 Ų | 111.3 | 68% | 0.68 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.3 | -44.3 | 176.2 | -175.8 | 170.1 | 171.6 | 0 | 0 | 111.5 | Q11 V12 V13 R18 M19 | Q11-M15 PolarHBondContact O-N 3.36Å; Q11-M15 WeakPolarHBondContact O-CB 3.22Å; V12-M15 PolarHBondContact O-N 3.42Å; V13-M15 VanDerWaalsContact C-N 3.35Å; V13-M15 PolarHBondContact O-N 2.93Å; M15-R18 PolarHBondContact O-N 3.01Å; M15-M19 PolarHBondContact O-N 3.41Å; M15-M19 WeakPolarHBondContact O-CB 3.47Å |
| 16 | E | 83.6 | Confident | 76.6 | Confident | 99 Ų | 99 | 115.6 Ų | 115.6 | 46% | 0.463 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.4 | -44.9 | 175.3 | -74.5 | -164.9 | 155.4 | 0 | 0 | 112.3 | V12 V13 R18 M19 K20 | V12-E16 PolarHBondContact O-N 2.96Å; V13-E16 PolarHBondContact O-N 3.41Å; E16-R18 VanDerWaalsContact C-N 3.34Å; E16-R18 PolarHBondContact O-N 3.47Å; E16-M19 PolarHBondContact O-N 2.93Å; E16-K20 WeakPolarHBondContact O-CG 2.98Å; E16-K20 PolarHBondContact O-N 2.91Å |
| 17 | Q | 83.9 | Confident | 77.3 | Confident | 135 Ų | 135 | 117.4 Ų | 117.4 | 63% | 0.631 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.9 | -42.5 | 177 | -78.2 | -172.8 | -14.6 | 0 | 0 | 112 | V13 M19 K20 R21 | V13-Q17 WeakPolarHBondContact O-CG 3.16Å; V13-Q17 PolarHBondContact O-N 2.9Å; Q17-M19 VanDerWaalsContact C-N 3.34Å; Q17-K20 PolarHBondContact O-N 3.2Å; Q17-R21 PolarHBondContact O-N 3.5Å; Q17-R21 WeakPolarHBondContact O-CB 3.47Å |
| 18 | R | 85.9 | Confident | 77.6 | Confident | 206 Ų | 206 | 119.2 Ų | 119.2 | 78% | 0.777 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.6 | -41.1 | 176.8 | -169.6 | 177.1 | -173.5 | 173.4 | 2.7 | 111.5 | A14 M15 E16 R21 H22 | A14-R18 PolarHBondContact O-N 3.33Å; A14-R18 WeakPolarHBondContact O-CB 3.35Å; M15-R18 PolarHBondContact O-N 3.01Å; E16-R18 VanDerWaalsContact C-N 3.34Å; E16-R18 PolarHBondContact O-N 3.47Å; R18-R21 PolarHBondContact O-N 3Å; R18-H22 WeakPolarHBondContact O-CB 3.27Å; R18-H22 PolarHBondContact O-N 2.98Å |
| 19 | M | 86.8 | Confident | 77.5 | Confident | 112 Ų | 112 | 125.8 Ų | 125.8 | 55% | 0.552 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.2 | -44.8 | 178 | -170.6 | 161.4 | 70.7 | 0 | 0 | 111.8 | M15 E16 Q17 R21 H22 L23 | M15-M19 PolarHBondContact O-N 3.41Å; M15-M19 WeakPolarHBondContact O-CB 3.47Å; E16-M19 PolarHBondContact O-N 2.93Å; Q17-M19 VanDerWaalsContact C-N 3.34Å; M19-R21 PolarHBondContact O-N 3.43Å; M19-H22 PolarHBondContact O-N 3.46Å; M19-L23 HydrophobicContact CG-CD1 4.24Å; M19-L23 WeakPolarHBondContact O-CG 3.44Å; M19-L23 PolarHBondContact O-N 3.29Å |
| 20 | K | 85.9 | Confident | 78.3 | Confident | 131 Ų | 131 | 128.6 Ų | 128.6 | 57% | 0.57 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -58.8 | -46.4 | 174.1 | -72.2 | 178.2 | -175 | 177.3 | 0 | 111.5 | E16 Q17 H22 L23 L24 | E16-K20 WeakPolarHBondContact O-CG 2.98Å; E16-K20 PolarHBondContact O-N 2.91Å; Q17-K20 PolarHBondContact O-N 3.2Å; K20-H22 PolarHBondContact O-N 2.9Å; K20-L23 PolarHBondContact O-N 3.5Å; K20-L24 VanDerWaalsContact O-CG 3.26Å; K20-L24 WeakPolarHBondContact O-CG 3.5Å; K20-L24 PolarHBondContact O-N 3.11Å; K20-L24 WeakPolarHBondContact O-CB 3.24Å |
| 21 | R | 86.6 | Confident | 79 | Confident | 193 Ų | 193 | 130.8 Ų | 130.8 | 73% | 0.728 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61.8 | -43 | 177.9 | -170.2 | 173.6 | -178.3 | 175.7 | 0.4 | 111.8 | Q17 R18 M19 L24 T25 | Q17-R21 PolarHBondContact O-N 3.5Å; Q17-R21 WeakPolarHBondContact O-CB 3.47Å; R18-R21 PolarHBondContact O-N 3Å; M19-R21 PolarHBondContact O-N 3.43Å; R21-L24 PolarHBondContact O-N 3.4Å; R21-T25 WeakPolarHBondContact O-CB 3.38Å; R21-T25 PolarHBondContact O-N 3.37Å; R21-T25 PolarHBondContact O-OG1 3.45Å |
| 22 | H | 87.6 | Confident | 79.5 | Confident | 110 Ų | 110 | 130.8 Ų | 130.8 | 51% | 0.509 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63.5 | -43.4 | 177.9 | -176.4 | 65.6 | 0 | 0 | 0 | 112.5 | R18 M19 K20 T25 R26 | R18-H22 WeakPolarHBondContact O-CB 3.27Å; R18-H22 PolarHBondContact O-N 2.98Å; M19-H22 PolarHBondContact O-N 3.46Å; K20-H22 PolarHBondContact O-N 2.9Å; H22-T25 PolarHBondContact O-N 3.44Å; H22-R26 PolarHBondContact O-N 3.46Å; H22-R26 WeakPolarHBondContact NE2-CD 3.3Å |
| 23 | L | 82.6 | Confident | 79.7 | Confident | 93 Ų | 93 | 133.3 Ų | 133.3 | 49% | 0.487 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -63.4 | -43.4 | 176.3 | -73.8 | 168.8 | 0 | 0 | 0 | 112 | M19 K20 R26 M27 | M19-L23 HydrophobicContact CG-CD1 4.24Å; M19-L23 WeakPolarHBondContact O-CG 3.44Å; M19-L23 PolarHBondContact O-N 3.29Å; K20-L23 PolarHBondContact O-N 3.5Å; L23-R26 PolarHBondContact O-N 2.97Å; L23-M27 PolarHBondContact O-N 2.98Å |
| 24 | L | 81.8 | Confident | 80 | Confident | 119 Ų | 119 | 136.8 Ų | 136.8 | 62% | 0.623 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.4 | -43.4 | 176.4 | -71 | 170.5 | 0 | 0 | 0 | 112 | K20 R21 R26 M27 F28 | K20-L24 VanDerWaalsContact O-CG 3.26Å; K20-L24 WeakPolarHBondContact O-CG 3.5Å; K20-L24 PolarHBondContact O-N 3.11Å; K20-L24 WeakPolarHBondContact O-CB 3.24Å; R21-L24 PolarHBondContact O-N 3.4Å; L24-R26 VanDerWaalsContact C-N 3.33Å; L24-R26 PolarHBondContact O-N 3.32Å; L24-M27 PolarHBondContact O-N 3.1Å; L24-F28 PolarHBondContact O-N 2.76Å |
| 25 | T | 80.3 | Confident | 80 | Confident | 74 Ų | 74 | 142.3 Ų | 142.3 | 45% | 0.454 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -63.9 | -37.6 | 176.2 | -57.9 | 0 | 0 | 0 | 0 | 112 | R21 H22 F28 L29 | R21-T25 WeakPolarHBondContact O-CB 3.38Å; R21-T25 PolarHBondContact O-N 3.37Å; R21-T25 PolarHBondContact O-OG1 3.45Å; H22-T25 PolarHBondContact O-N 3.44Å; T25-F28 PolarHBondContact O-N 2.99Å; T25-L29 HydrophobicContact CG2-CD1 4.3Å; T25-L29 PolarHBondContact O-N 3.42Å |
| 26 | R | 78.7 | Confident | 79.7 | Confident | 171 Ų | 171 | 142.6 Ų | 142.6 | 65% | 0.645 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72.7 | -24.7 | 176.8 | -79.9 | -170.7 | 72.1 | -169 | 3.3 | 114.6 | H22 L23 L24 F28 | H22-R26 PolarHBondContact O-N 3.46Å; H22-R26 WeakPolarHBondContact NE2-CD 3.3Å; L23-R26 PolarHBondContact O-N 2.97Å; L24-R26 VanDerWaalsContact C-N 3.33Å; L24-R26 PolarHBondContact O-N 3.32Å; R26-F28 VanDerWaalsContact C-N 3.29Å |
| 27 | M | 71.8 | Confident | 79.4 | Confident | 167 Ų | 167 | 146 Ų | 146 | 82% | 0.823 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -77.8 | -19.7 | 173.1 | -75.8 | -175.2 | 167.1 | 0 | 0 | 112.6 | L23 L24 | L23-M27 PolarHBondContact O-N 2.98Å; L24-M27 PolarHBondContact O-N 3.1Å |
| 28 | F | 64.4 | Low | 79 | Confident | 194 Ų | 194 | 146.9 Ų | 146.9 | 85% | 0.851 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -95.9 | -15.4 | -178.1 | -155.8 | -94.2 | 0 | 0 | 0 | 113.5 | L24 T25 R26 | L24-F28 PolarHBondContact O-N 2.76Å; T25-F28 PolarHBondContact O-N 2.99Å; R26-F28 VanDerWaalsContact C-N 3.29Å |
| 29 | L | 56 | Low | 78.4 | Confident | 193 Ų | 193 | 141.5 Ų | 141.5 | 100% | 1.01 | 66% | 0.659 | S | S | * | * | | | trans | -90.9 | 0 | 168.5 | -73.2 | 169.9 | 0 | 0 | 0 | 110 | T25 | T25-L29 HydrophobicContact CG2-CD1 4.3Å; T25-L29 PolarHBondContact O-N 3.42Å |