| 1 | M | 52.9 | Low | 63 | Low | 204 Ų | 204 | 140.1 Ų | 140.1 | 100% | 1.005 | 67% | 0.665 | S | S | * | * | | | | 0 | 44 | 0 | -65.9 | -153.6 | -172 | 0 | 0 | 112.5 | | |
| 2 | L | 57.2 | Low | 64.3 | Low | 137 Ų | 137 | 137.7 Ų | 137.7 | 72% | 0.717 | 66% | 0.658 | S | S | * | * | | | trans | -84.7 | -22.5 | 178.1 | -166.6 | 69.4 | 0 | 0 | 0 | 112.5 | L5 L6 | L2-L5 PolarHBondContact O-N 3.05Å; L2-L6 PolarHBondContact O-N 3.2Å |
| 3 | R | 57.3 | Low | 65.9 | Low | 210 Ų | 210 | 132.2 Ų | 132.2 | 79% | 0.792 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -56.9 | -51.7 | -178.1 | -115.2 | 170.8 | 165 | 158.5 | -5 | 113.1 | L5 L6 E7 | R3-L5 PolarHBondContact O-N 3.4Å; R3-L6 PolarHBondContact O-N 3.25Å; R3-E7 WeakPolarHBondContact O-CG 3.2Å; R3-E7 PolarHBondContact O-N 3.03Å |
| 4 | R | 58.8 | Low | 67.3 | Low | 190 Ų | 190 | 132 Ų | 132 | 72% | 0.717 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -63 | -28.1 | -179 | -66.3 | -175.4 | -157.5 | 170 | 7.1 | 113.5 | L6 | R4-L6 VanDerWaalsContact C-N 3.29Å |
| 5 | L | 58.4 | Low | 68.6 | Low | 134 Ų | 134 | 129.9 Ų | 129.9 | 70% | 0.702 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.6 | -26.5 | 178.6 | -138.5 | 101.3 | 0 | 0 | 0 | 111.6 | L2 R3 P9 | L2-L5 PolarHBondContact O-N 3.05Å; R3-L5 PolarHBondContact O-N 3.4Å; L5-P9 WeakPolarHBondContact O-CD 3.45Å; L5-P9 WeakPolarHBondContact O-CG 3.25Å |
| 6 | L | 59.6 | Low | 69.5 | Low | 110 Ų | 110 | 126.5 Ų | 126.5 | 58% | 0.576 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -91 | -30.2 | 179.8 | -136.2 | 74.7 | 0 | 0 | 0 | 112.7 | L2 R3 R4 R8 P9 C10 | L2-L6 PolarHBondContact O-N 3.2Å; R3-L6 PolarHBondContact O-N 3.25Å; R4-L6 VanDerWaalsContact C-N 3.29Å; L6-R8 PolarHBondContact O-N 3.19Å; L6-P9 VanDerWaalsContact C-CD 3.48Å; L6-P9 WeakPolarHBondContact O-CD 3.27Å; L6-P9 VanDerWaalsContact O-CG 3.25Å; L6-P9 WeakPolarHBondContact O-CG 3.14Å; L6-C10 VanDerWaalsContact O-CB 3.27Å; L6-C10 WeakPolarHBondContact O-CB 3.46Å; L6-C10 PolarHBondContact O-N 3.01Å; L6-C10 PolarHBondContact O-SG 3.44Å |
| 7 | E | 61.2 | Low | 70.4 | Confident | 128 Ų | 128 | 121.2 Ų | 121.2 | 60% | 0.598 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.8 | -36.1 | -177.9 | -55.6 | -135.8 | 116.1 | 0 | 0 | 113.1 | R3 T11 | R3-E7 WeakPolarHBondContact O-CG 3.2Å; R3-E7 PolarHBondContact O-N 3.03Å; E7-T11 PolarHBondContact O-N 3.41Å; E7-T11 PolarHBondContact O-OG1 2.97Å |
| 8 | R | 63.2 | Low | 71.2 | Confident | 206 Ų | 206 | 118.2 Ų | 118.2 | 78% | 0.777 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.1 | -51.5 | 176.2 | -115.2 | 174 | 166.9 | 177 | -5.8 | 113.4 | L6 T11 L12 | L6-R8 PolarHBondContact O-N 3.19Å; R8-T11 PolarHBondContact O-N 3.2Å; R8-L12 PolarHBondContact O-N 3.44Å |
| 9 | P | 67.3 | Low | 71.8 | Confident | 65 Ų | 65 | 119.1 Ų | 119.1 | 42% | 0.422 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69.6 | -31.8 | 176.4 | 25.9 | -33.6 | 0 | 0 | 0 | 112.2 | L5 L6 L12 A13 | L5-P9 WeakPolarHBondContact O-CD 3.45Å; L5-P9 WeakPolarHBondContact O-CG 3.25Å; L6-P9 VanDerWaalsContact C-CD 3.48Å; L6-P9 WeakPolarHBondContact O-CD 3.27Å; L6-P9 VanDerWaalsContact O-CG 3.25Å; L6-P9 WeakPolarHBondContact O-CG 3.14Å; P9-L12 PolarHBondContact O-N 3.01Å; P9-A13 VanDerWaalsContact O-CB 3.28Å; P9-A13 WeakPolarHBondContact O-CB 3.35Å; P9-A13 PolarHBondContact O-N 2.84Å |
| 10 | C | 76.3 | Confident | 72.3 | Confident | 74 Ų | 74 | 119 Ų | 119 | 50% | 0.5 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.1 | -42.9 | 173.9 | -76.5 | 0 | 0 | 0 | 0 | 112.1 | L6 A13 L14 | L6-C10 VanDerWaalsContact O-CB 3.27Å; L6-C10 WeakPolarHBondContact O-CB 3.46Å; L6-C10 PolarHBondContact O-N 3.01Å; L6-C10 PolarHBondContact O-SG 3.44Å; C10-A13 PolarHBondContact O-N 3.49Å; C10-L14 WeakPolarHBondContact O-CB 3.28Å; C10-L14 PolarHBondContact O-N 3.4Å |
| 11 | T | 80.8 | Confident | 72.7 | Confident | 83 Ų | 83 | 116.3 Ų | 116.3 | 51% | 0.509 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65 | -41.3 | 177.8 | -53 | 0 | 0 | 0 | 0 | 111.5 | E7 R8 L14 L15 | E7-T11 PolarHBondContact O-N 3.41Å; E7-T11 PolarHBondContact O-OG1 2.97Å; R8-T11 PolarHBondContact O-N 3.2Å; T11-L14 PolarHBondContact O-N 2.79Å; T11-L15 HydrophobicContact CG2-CD1 4.16Å; T11-L15 WeakPolarHBondContact O-CB 2.89Å; T11-L15 WeakPolarHBondContact O-CG 3.24Å; T11-L15 PolarHBondContact O-N 3.43Å |
| 12 | L | 79 | Confident | 74.1 | Confident | 111 Ų | 111 | 111.8 Ų | 111.8 | 58% | 0.581 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.1 | -45.1 | 174.6 | -88.1 | 160.6 | 0 | 0 | 0 | 112.1 | R8 P9 L14 L15 V16 | R8-L12 PolarHBondContact O-N 3.44Å; P9-L12 PolarHBondContact O-N 3.01Å; L12-L14 PolarHBondContact O-N 3.49Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L15 PolarHBondContact O-N 2.89Å; L12-V16 WeakPolarHBondContact O-CB 3.13Å; L12-V16 VanDerWaalsContact O-CG2 3.24Å; L12-V16 WeakPolarHBondContact O-CG2 3.36Å; L12-V16 PolarHBondContact O-N 3.03Å |
| 13 | A | 84.3 | Confident | 75.2 | Confident | 66 Ų | 66 | 113.7 Ų | 113.7 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.6 | -38.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P9 C10 G17 | P9-A13 VanDerWaalsContact O-CB 3.28Å; P9-A13 WeakPolarHBondContact O-CB 3.35Å; P9-A13 PolarHBondContact O-N 2.84Å; C10-A13 PolarHBondContact O-N 3.49Å; A13-G17 PolarHBondContact O-N 3.36Å |
| 14 | L | 85.9 | Confident | 75.9 | Confident | 130 Ų | 130 | 112.1 Ų | 112.1 | 68% | 0.681 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.9 | -48.1 | 176 | -153.4 | 89.4 | 0 | 0 | 0 | 111.2 | C10 T11 L12 V16 G17 S18 | C10-L14 WeakPolarHBondContact O-CB 3.28Å; C10-L14 PolarHBondContact O-N 3.4Å; T11-L14 PolarHBondContact O-N 2.79Å; L12-L14 PolarHBondContact O-N 3.49Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L14-V16 PolarHBondContact O-N 3.44Å; L14-G17 PolarHBondContact O-N 2.89Å; L14-S18 WeakPolarHBondContact O-CB 3.4Å; L14-S18 PolarHBondContact O-N 2.84Å; L14-S18 PolarHBondContact O-OG 3.33Å |
| 15 | L | 87 | Confident | 76.2 | Confident | 100 Ų | 100 | 115.9 Ų | 115.9 | 52% | 0.524 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.9 | -41.9 | 178.4 | -81.2 | 164.4 | 0 | 0 | 0 | 112.9 | T11 L12 Q19 | T11-L15 HydrophobicContact CG2-CD1 4.16Å; T11-L15 WeakPolarHBondContact O-CB 2.89Å; T11-L15 WeakPolarHBondContact O-CG 3.24Å; T11-L15 PolarHBondContact O-N 3.43Å; L12-L15 PolarHBondContact O-N 2.89Å; L15-Q19 PolarHBondContact O-N 3.04Å |
| 16 | V | 83.3 | Confident | 77.1 | Confident | 76 Ų | 76 | 115 Ų | 115 | 46% | 0.461 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.4 | -43.1 | 178.1 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | L12 L14 S18 Q19 L20 | L12-V16 WeakPolarHBondContact O-CB 3.13Å; L12-V16 VanDerWaalsContact O-CG2 3.24Å; L12-V16 WeakPolarHBondContact O-CG2 3.36Å; L12-V16 PolarHBondContact O-N 3.03Å; L14-V16 PolarHBondContact O-N 3.44Å; V16-S18 PolarHBondContact O-N 2.92Å; V16-Q19 PolarHBondContact O-N 3.44Å; V16-L20 PolarHBondContact O-N 3.35Å; V16-L20 HydrophobicContact CG1-CD1 4.07Å; V16-L20 WeakPolarHBondContact O-CB 3.3Å |
| 17 | G | 84.8 | Confident | 78 | Confident | 37 Ų | 37 | 115.3 Ų | 115.3 | 38% | 0.381 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -61.6 | -41.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A13 L14 L20 A21 | A13-G17 PolarHBondContact O-N 3.36Å; L14-G17 PolarHBondContact O-N 2.89Å; G17-L20 PolarHBondContact O-N 3.37Å; G17-A21 WeakPolarHBondContact O-CB 3.38Å; G17-A21 PolarHBondContact O-N 3.39Å |
| 18 | S | 84.9 | Confident | 79 | Confident | 66 Ų | 66 | 114.6 Ų | 114.6 | 46% | 0.462 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65 | -41.5 | 175.1 | -66.9 | 0 | 0 | 0 | 0 | 112.6 | L14 V16 A21 V22 | L14-S18 WeakPolarHBondContact O-CB 3.4Å; L14-S18 PolarHBondContact O-N 2.84Å; L14-S18 PolarHBondContact O-OG 3.33Å; V16-S18 PolarHBondContact O-N 2.92Å; S18-A21 PolarHBondContact O-N 3Å; S18-V22 VanDerWaalsContact O-CG2 3.3Å; S18-V22 WeakPolarHBondContact O-CG2 3.5Å; S18-V22 PolarHBondContact O-N 2.95Å |
| 19 | Q | 82.8 | Confident | 79.9 | Confident | 136 Ų | 136 | 109.2 Ų | 109.2 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.2 | -41.3 | 175.8 | -87.5 | 179.2 | 92 | 0 | 0 | 112.6 | L15 V16 V22 M23 | L15-Q19 PolarHBondContact O-N 3.04Å; V16-Q19 PolarHBondContact O-N 3.44Å; Q19-V22 PolarHBondContact O-N 3.45Å; Q19-M23 PolarHBondContact O-N 3.41Å |
| 20 | L | 80.9 | Confident | 80.7 | Confident | 117 Ų | 117 | 111.9 Ų | 111.9 | 61% | 0.613 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.1 | -43.6 | 174.7 | -88.9 | 158.4 | 0 | 0 | 0 | 111.7 | V16 G17 V22 M23 M24 | V16-L20 PolarHBondContact O-N 3.35Å; V16-L20 HydrophobicContact CG1-CD1 4.07Å; V16-L20 WeakPolarHBondContact O-CB 3.3Å; G17-L20 PolarHBondContact O-N 3.37Å; L20-V22 VanDerWaalsContact C-N 3.31Å; L20-V22 PolarHBondContact O-N 2.96Å; L20-M23 PolarHBondContact O-N 2.97Å; L20-M24 WeakPolarHBondContact O-CB 3.43Å; L20-M24 PolarHBondContact O-N 3.15Å; L20-M24 VanDerWaalsContact O-N 3.15Å |
| 21 | A | 80.8 | Confident | 81 | Confident | 63 Ų | 63 | 114.5 Ų | 114.5 | 52% | 0.521 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62.9 | -37.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G17 S18 | G17-A21 WeakPolarHBondContact O-CB 3.38Å; G17-A21 PolarHBondContact O-N 3.39Å; S18-A21 PolarHBondContact O-N 3Å |
| 22 | V | 81.9 | Confident | 81 | Confident | 108 Ų | 108 | 116.7 Ų | 116.7 | 66% | 0.655 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.4 | -37.1 | 176.8 | 172.1 | 0 | 0 | 0 | 0 | 112.2 | S18 Q19 L20 M24 Y25 | S18-V22 VanDerWaalsContact O-CG2 3.3Å; S18-V22 WeakPolarHBondContact O-CG2 3.5Å; S18-V22 PolarHBondContact O-N 2.95Å; Q19-V22 PolarHBondContact O-N 3.45Å; L20-V22 VanDerWaalsContact C-N 3.31Å; L20-V22 PolarHBondContact O-N 2.96Å; V22-M24 PolarHBondContact O-N 3.35Å; V22-Y25 VanDerWaalsContact O-OXT 3.1Å |
| 23 | M | 80.1 | Confident | 81.1 | Confident | 178 Ų | 178 | 117.2 Ų | 117.2 | 88% | 0.877 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.3 | -24.2 | 176.2 | -97.2 | -144.1 | 179.7 | 0 | 0 | 113.6 | Q19 L20 | Q19-M23 PolarHBondContact O-N 3.41Å; L20-M23 PolarHBondContact O-N 2.97Å |
| 24 | M | 72.7 | Confident | 80.9 | Confident | 177 Ų | 177 | 121.4 Ų | 121.4 | 87% | 0.872 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -86.3 | -15 | -177.3 | -156.1 | -178.5 | -178.5 | 0 | 0 | 113.1 | L20 V22 | L20-M24 WeakPolarHBondContact O-CB 3.43Å; L20-M24 PolarHBondContact O-N 3.15Å; L20-M24 VanDerWaalsContact O-N 3.15Å; V22-M24 PolarHBondContact O-N 3.35Å |
| 25 | Y | 65.5 | Low | 80.4 | Confident | 269 Ų | 269 | 120.6 Ų | 120.6 | 100% | 1.055 | 64% | 0.641 | S | S | * | * | | | trans | -103.2 | 0 | 178.1 | -166.9 | -89.7 | 0 | 0 | 0 | 110.8 | V22 | V22-Y25 VanDerWaalsContact O-OXT 3.1Š|