| 1 | M | 47.8 | Very low | 73.1 | Confident | 249 Ų | 249 | 115.6 Ų | 115.6 | 100% | 1.227 | 63% | 0.632 | S | S | * | * | | | | 0 | 62.5 | 0 | -67.4 | 176.9 | -84.3 | 0 | 0 | 110.4 | | |
| 2 | G | 68.9 | Low | 74.6 | Confident | 65 Ų | 65 | 115.8 Ų | 115.8 | 67% | 0.67 | 63% | 0.63 | S | S | * | * | | | trans | -118 | 98.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 3 | A | 66.4 | Low | 75.8 | Confident | 39 Ų | 39 | 115.7 Ų | 115.7 | 32% | 0.322 | 63% | 0.628 | S | S | . | * | | | trans | -149.6 | 24.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A5 R6 K7 | A3-A5 PolarHBondContact O-N 3.27Å; A3-R6 HydrophobicContact CB-CB 4.1Å; A3-R6 PolarHBondContact O-N 3.41Å; A3-R6 HydrophobicContact CB-CG 4.1Å; A3-K7 PolarHBondContact O-N 3.4Å |
| 4 | P | 64.3 | Low | 77 | Confident | 89 Ų | 89 | 115.2 Ų | 115.2 | 58% | 0.578 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -59.5 | -31.2 | 173.4 | 25.6 | -31.4 | 0 | 0 | 0 | 111.2 | R8 | P4-R8 WeakPolarHBondContact O-CG 3.38Å; P4-R8 PolarHBondContact O-N 3.07Å |
| 5 | A | 76.9 | Confident | 78.1 | Confident | 75 Ų | 75 | 114.1 Ų | 114.1 | 62% | 0.62 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.5 | -36.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A3 A9 | A3-A5 PolarHBondContact O-N 3.27Å; A5-A9 WeakPolarHBondContact O-CB 3.15Å; A5-A9 PolarHBondContact O-N 3Å |
| 6 | R | 72.6 | Confident | 78.9 | Confident | 181 Ų | 181 | 114.7 Ų | 114.7 | 68% | 0.683 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.8 | -42.6 | 177.5 | -62.8 | -173.8 | -142.4 | -141.2 | 0.8 | 111.4 | A3 R8 A9 S10 | A3-R6 HydrophobicContact CB-CB 4.1Å; A3-R6 PolarHBondContact O-N 3.41Å; A3-R6 HydrophobicContact CB-CG 4.1Å; R6-R8 VanDerWaalsContact C-N 3.34Å; R6-R8 PolarHBondContact O-N 3.12Å; R6-A9 PolarHBondContact O-N 3.29Å; R6-S10 WeakPolarHBondContact O-CB 3.42Å; R6-S10 PolarHBondContact O-N 3.45Å; R6-S10 PolarHBondContact O-OG 2.74Å |
| 7 | K | 72.4 | Confident | 79.5 | Confident | 170 Ų | 170 | 110.8 Ų | 110.8 | 74% | 0.739 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.1 | -41.6 | 177.6 | -67.5 | -173.2 | 177.9 | -174.7 | 0 | 111.8 | A3 L11 | A3-K7 PolarHBondContact O-N 3.4Å; K7-L11 PolarHBondContact O-N 3.06Å; K7-L11 VanDerWaalsContact O-N 3.16Å |
| 8 | R | 75.1 | Confident | 80 | Confident | 185 Ų | 185 | 108.3 Ų | 108.3 | 70% | 0.698 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.2 | -45.2 | 174.5 | -70.3 | 178.2 | -179.1 | -179.4 | -0 | 112 | P4 R6 S10 L11 L12 | P4-R8 WeakPolarHBondContact O-CG 3.38Å; P4-R8 PolarHBondContact O-N 3.07Å; R6-R8 VanDerWaalsContact C-N 3.34Å; R6-R8 PolarHBondContact O-N 3.12Å; R8-S10 PolarHBondContact O-N 3.03Å; R8-L11 PolarHBondContact O-N 3.16Å; R8-L12 PolarHBondContact O-N 3.08Å; R8-L12 WeakPolarHBondContact O-CG 3.29Å; R8-L12 VanDerWaalsContact O-CG 3.29Å |
| 9 | A | 84.4 | Confident | 80.4 | Confident | 43 Ų | 43 | 109.3 Ų | 109.3 | 36% | 0.355 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -61.6 | -44.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A5 R6 L11 L12 L13 | A5-A9 WeakPolarHBondContact O-CB 3.15Å; A5-A9 PolarHBondContact O-N 3Å; R6-A9 PolarHBondContact O-N 3.29Å; A9-L11 VanDerWaalsContact C-N 3.32Å; A9-L11 PolarHBondContact O-N 3.43Å; A9-L12 PolarHBondContact O-N 3.36Å; A9-L13 VanDerWaalsContact O-CB 3.3Å; A9-L13 WeakPolarHBondContact O-CB 3.35Å; A9-L13 WeakPolarHBondContact O-CG 3.2Å; A9-L13 PolarHBondContact O-N 3.31Å |
| 10 | S | 84.9 | Confident | 80.7 | Confident | 76 Ų | 76 | 106.7 Ų | 106.7 | 53% | 0.531 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.7 | -40 | 175.8 | -63.6 | 0 | 0 | 0 | 0 | 112.4 | R6 R8 L14 | R6-S10 WeakPolarHBondContact O-CB 3.42Å; R6-S10 PolarHBondContact O-N 3.45Å; R6-S10 PolarHBondContact O-OG 2.74Å; R8-S10 PolarHBondContact O-N 3.03Å; S10-L14 VanDerWaalsContact O-CB 3.31Å; S10-L14 WeakPolarHBondContact O-CB 3.36Å; S10-L14 PolarHBondContact O-N 3.44Å |
| 11 | L | 90.5 | Very high | 81 | Confident | 100 Ų | 100 | 108 Ų | 108 | 52% | 0.524 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.7 | -46.5 | 174.9 | -179.1 | 63.9 | 0 | 0 | 0 | 111.6 | K7 R8 A9 L13 L14 L15 | K7-L11 PolarHBondContact O-N 3.06Å; K7-L11 VanDerWaalsContact O-N 3.16Å; R8-L11 PolarHBondContact O-N 3.16Å; A9-L11 VanDerWaalsContact C-N 3.32Å; A9-L11 PolarHBondContact O-N 3.43Å; L11-L13 PolarHBondContact O-N 2.82Å; L11-L14 PolarHBondContact O-N 3.49Å; L11-L15 PolarHBondContact O-N 3.03Å; L11-L15 WeakPolarHBondContact O-CG 3.39Å; L11-L15 VanDerWaalsContact O-CG 3.3Å; L11-L15 HydrophobicContact CD1-CG 4.41Å; L11-L15 HydrophobicContact CG-CD1 4.21Å; L11-L15 HydrophobicContact CD1-CD1 4.42Å |
| 12 | L | 90.8 | Very high | 82.6 | Confident | 117 Ų | 117 | 101.8 Ų | 101.8 | 61% | 0.613 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.7 | -42.5 | 178.8 | -68.5 | 174.6 | 0 | 0 | 0 | 112 | R8 A9 L14 L15 L16 | R8-L12 PolarHBondContact O-N 3.08Å; R8-L12 WeakPolarHBondContact O-CG 3.29Å; R8-L12 VanDerWaalsContact O-CG 3.29Å; A9-L12 PolarHBondContact O-N 3.36Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L15 PolarHBondContact O-N 3.33Å; L12-L16 WeakPolarHBondContact O-CB 3.3Å; L12-L16 PolarHBondContact O-N 2.85Å |
| 13 | L | 90.5 | Very high | 82.8 | Confident | 115 Ų | 115 | 103.4 Ų | 103.4 | 60% | 0.602 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.6 | -39.6 | 176.1 | -70.5 | 172.3 | 0 | 0 | 0 | 111.5 | A9 L11 A17 | A9-L13 VanDerWaalsContact O-CB 3.3Å; A9-L13 WeakPolarHBondContact O-CB 3.35Å; A9-L13 WeakPolarHBondContact O-CG 3.2Å; A9-L13 PolarHBondContact O-N 3.31Å; L11-L13 PolarHBondContact O-N 2.82Å; L13-A17 WeakPolarHBondContact O-CB 3.31Å; L13-A17 PolarHBondContact O-N 3.49Å |
| 14 | L | 92.1 | Very high | 82.7 | Confident | 109 Ų | 109 | 105.7 Ų | 105.7 | 57% | 0.571 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.2 | -47.1 | 176.9 | -175.9 | 67 | 0 | 0 | 0 | 111.5 | S10 L11 L12 L16 A17 T18 | S10-L14 VanDerWaalsContact O-CB 3.31Å; S10-L14 WeakPolarHBondContact O-CB 3.36Å; S10-L14 PolarHBondContact O-N 3.44Å; L11-L14 PolarHBondContact O-N 3.49Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L14-L16 PolarHBondContact O-N 3.4Å; L14-L16 VanDerWaalsContact C-N 3.31Å; L14-A17 PolarHBondContact O-N 3.25Å; L14-T18 PolarHBondContact O-N 3.42Å; L14-T18 PolarHBondContact O-OG1 3.16Å |
| 15 | L | 93.6 | Very high | 82.5 | Confident | 99 Ų | 99 | 110.3 Ų | 110.3 | 52% | 0.518 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.7 | -40.7 | 179 | -67.4 | 173.7 | 0 | 0 | 0 | 111.8 | L11 L12 M19 | L11-L15 PolarHBondContact O-N 3.03Å; L11-L15 WeakPolarHBondContact O-CG 3.39Å; L11-L15 VanDerWaalsContact O-CG 3.3Å; L11-L15 HydrophobicContact CD1-CG 4.41Å; L11-L15 HydrophobicContact CG-CD1 4.21Å; L11-L15 HydrophobicContact CD1-CD1 4.42Å; L12-L15 PolarHBondContact O-N 3.33Å; L15-M19 PolarHBondContact O-N 3.25Å |
| 16 | L | 91.5 | Very high | 82.8 | Confident | 123 Ų | 123 | 112.1 Ų | 112.1 | 64% | 0.644 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.4 | -44.8 | 176.5 | -177.1 | 63.4 | 0 | 0 | 0 | 111.9 | L12 L14 T18 M19 A20 | L12-L16 WeakPolarHBondContact O-CB 3.3Å; L12-L16 PolarHBondContact O-N 2.85Å; L14-L16 PolarHBondContact O-N 3.4Å; L14-L16 VanDerWaalsContact C-N 3.31Å; L16-T18 VanDerWaalsContact C-N 3.34Å; L16-T18 PolarHBondContact O-N 2.99Å; L16-M19 PolarHBondContact O-N 2.83Å; L16-A20 PolarHBondContact O-N 3.26Å; L16-A20 VanDerWaalsContact O-N 3.12Å |
| 17 | A | 89.2 | Confident | 83.4 | Confident | 48 Ų | 48 | 108.4 Ų | 108.4 | 40% | 0.397 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.8 | -37.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L13 L14 A20 L21 | L13-A17 WeakPolarHBondContact O-CB 3.31Å; L13-A17 PolarHBondContact O-N 3.49Å; L14-A17 PolarHBondContact O-N 3.25Å; A17-A20 PolarHBondContact O-N 2.91Å; A17-L21 PolarHBondContact O-N 3.19Å |
| 18 | T | 88.6 | Confident | 84 | Confident | 66 Ų | 66 | 105 Ų | 105 | 41% | 0.405 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63 | -45.1 | 176.9 | -55.6 | 0 | 0 | 0 | 0 | 111.8 | L14 L16 A20 L21 V22 | L14-T18 PolarHBondContact O-N 3.42Å; L14-T18 PolarHBondContact O-OG1 3.16Å; L16-T18 VanDerWaalsContact C-N 3.34Å; L16-T18 PolarHBondContact O-N 2.99Å; T18-A20 VanDerWaalsContact C-N 3.28Å; T18-A20 PolarHBondContact O-N 2.98Å; T18-L21 PolarHBondContact O-N 3.45Å; T18-V22 WeakPolarHBondContact O-CG2 3.4Å; T18-V22 PolarHBondContact O-N 3.03Å; T18-V22 VanDerWaalsContact O-N 3.16Å |
| 19 | M | 87.3 | Confident | 84.5 | Confident | 127 Ų | 127 | 100.3 Ų | 100.3 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.1 | -35.3 | 177 | -69 | -66.4 | 126.1 | 0 | 0 | 111.8 | L15 L16 S23 | L15-M19 PolarHBondContact O-N 3.25Å; L16-M19 PolarHBondContact O-N 2.83Å; M19-S23 WeakPolarHBondContact O-CB 3.41Å; M19-S23 PolarHBondContact O-OG 3.2Å; M19-S23 VanDerWaalsContact O-N 3.08Å; M19-S23 PolarHBondContact O-N 3.01Å |
| 20 | A | 85.5 | Confident | 84.5 | Confident | 58 Ų | 58 | 103.9 Ų | 103.9 | 48% | 0.479 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.9 | -43.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L16 A17 T18 S23 S24 | L16-A20 PolarHBondContact O-N 3.26Å; L16-A20 VanDerWaalsContact O-N 3.12Å; A17-A20 PolarHBondContact O-N 2.91Å; T18-A20 VanDerWaalsContact C-N 3.28Å; T18-A20 PolarHBondContact O-N 2.98Å; A20-S23 PolarHBondContact O-N 3.02Å; A20-S24 WeakPolarHBondContact O-CB 3.3Å; A20-S24 PolarHBondContact O-N 3.22Å; A20-S24 VanDerWaalsContact O-N 3.07Å |
| 21 | L | 86.8 | Confident | 84.5 | Confident | 134 Ų | 134 | 105.7 Ų | 105.7 | 70% | 0.702 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.7 | -37.7 | 177.1 | -75.8 | 165.6 | 0 | 0 | 0 | 112.6 | A17 T18 S24 | A17-L21 PolarHBondContact O-N 3.19Å; T18-L21 PolarHBondContact O-N 3.45Å; L21-S24 CarbonylContact O-C 3.48Å |
| 22 | V | 82.8 | Confident | 84 | Confident | 118 Ų | 118 | 106.1 Ų | 106.1 | 72% | 0.715 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -75.3 | -28.1 | 179.5 | 176.4 | 0 | 0 | 0 | 0 | 111.9 | T18 | T18-V22 WeakPolarHBondContact O-CG2 3.4Å; T18-V22 PolarHBondContact O-N 3.03Å; T18-V22 VanDerWaalsContact O-N 3.16Å |
| 23 | S | 73.2 | Confident | 83.5 | Confident | 100 Ų | 100 | 105.3 Ų | 105.3 | 70% | 0.699 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -82.3 | -21.8 | 177 | -53.5 | 0 | 0 | 0 | 0 | 113.4 | M19 A20 | M19-S23 WeakPolarHBondContact O-CB 3.41Å; M19-S23 PolarHBondContact O-OG 3.2Å; M19-S23 VanDerWaalsContact O-N 3.08Å; M19-S23 PolarHBondContact O-N 3.01Å; A20-S23 PolarHBondContact O-N 3.02Å |
| 24 | S | 63.7 | Low | 82.9 | Confident | 87 Ų | 87 | 104.5 Ų | 104.5 | 61% | 0.608 | 63% | 0.63 | S | S | * | * | | | trans | -121.2 | 85.4 | -179.2 | -165.1 | 0 | 0 | 0 | 0 | 108.5 | A20 L21 | A20-S24 WeakPolarHBondContact O-CB 3.3Å; A20-S24 PolarHBondContact O-N 3.22Å; A20-S24 VanDerWaalsContact O-N 3.07Å; L21-S24 CarbonylContact O-C 3.48Å |
| 25 | P | 61.2 | Low | 82.1 | Confident | 185 Ų | 185 | 104.1 Ų | 104.1 | 100% | 1.201 | 64% | 0.636 | S | S | * | * | | | trans | -59.3 | 0 | 178.3 | 26.7 | -34.7 | 0 | 0 | 0 | 112.7 | | |