| 1 | M | 54.4 | Low | 76.1 | Confident | 197 Ų | 197 | 142.2 Ų | 142.2 | 97% | 0.97 | 67% | 0.666 | S | S | * | * | | | | 0 | -36 | 0 | -61.2 | -63.4 | -173.3 | 0 | 0 | 113.5 | R3 R4 | M1-R3 PolarHBondContact O-N 2.92Å; M1-R4 PolarHBondContact O-N 3.47Å |
| 2 | A | 60.3 | Low | 77.5 | Confident | 79 Ų | 79 | 138.2 Ų | 138.2 | 65% | 0.653 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -62.5 | -38.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R4 H5 C6 | A2-R4 VanDerWaalsContact C-N 3.33Å; A2-R4 PolarHBondContact O-N 3.04Å; A2-H5 PolarHBondContact O-N 2.9Å; A2-C6 PolarHBondContact O-N 3.46Å; A2-C6 PolarHBondContact O-SG 3Å |
| 3 | R | 67.5 | Low | 78.6 | Confident | 205 Ų | 205 | 132.4 Ų | 132.4 | 77% | 0.774 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -58.5 | -40.5 | 180 | -119.9 | 176.8 | 179.7 | 179 | -1 | 113 | M1 H5 C6 F7 | M1-R3 PolarHBondContact O-N 2.92Å; R3-H5 VanDerWaalsContact C-N 3.33Å; R3-H5 PolarHBondContact O-N 3.08Å; R3-C6 PolarHBondContact O-N 3.43Å; R3-F7 HydrophobicContact CB-CE2 4.27Å; R3-F7 HydrophobicContact CG-CE2 3.96Å; R3-F7 WeakPolarHBondContact O-CD2 3.34Å; R3-F7 PolarHBondContact O-N 3.15Å; R3-F7 VanDerWaalsContact O-N 3.16Å |
| 4 | R | 69.2 | Low | 79.6 | Confident | 199 Ų | 199 | 127.9 Ų | 127.9 | 75% | 0.751 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.2 | -37.4 | -179.6 | -82.1 | -178.9 | 171.4 | 172.6 | -4 | 112.6 | M1 A2 S8 | M1-R4 PolarHBondContact O-N 3.47Å; A2-R4 VanDerWaalsContact C-N 3.33Å; A2-R4 PolarHBondContact O-N 3.04Å; R4-S8 PolarHBondContact O-N 3.36Å; R4-S8 VanDerWaalsContact O-N 3.15Å |
| 5 | H | 71.2 | Confident | 80.5 | Confident | 148 Ų | 148 | 130.9 Ų | 130.9 | 69% | 0.685 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.2 | -36.9 | 176.7 | -99.3 | -79.3 | 0 | 0 | 0 | 112.4 | A2 R3 S8 Y9 | A2-H5 PolarHBondContact O-N 2.9Å; R3-H5 VanDerWaalsContact C-N 3.33Å; R3-H5 PolarHBondContact O-N 3.08Å; H5-S8 PolarHBondContact O-N 3.07Å; H5-Y9 WeakPolarHBondContact O-CB 3.5Å; H5-Y9 PolarHBondContact O-N 2.98Å |
| 6 | C | 78.3 | Confident | 81.3 | Confident | 77 Ų | 77 | 129.5 Ų | 129.5 | 52% | 0.52 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.4 | -42.9 | 175.5 | -62.9 | 0 | 0 | 0 | 0 | 112 | A2 R3 Y9 W10 | A2-C6 PolarHBondContact O-N 3.46Å; A2-C6 PolarHBondContact O-SG 3Å; R3-C6 PolarHBondContact O-N 3.43Å; C6-Y9 PolarHBondContact O-N 3.19Å; C6-W10 PolarHBondContact O-N 3.16Å |
| 7 | F | 78.3 | Confident | 81.9 | Confident | 131 Ų | 131 | 127.4 Ų | 127.4 | 58% | 0.575 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65 | -43.7 | 177.3 | -72.4 | -67.4 | 0 | 0 | 0 | 112.3 | R3 Y9 W10 L11 | R3-F7 HydrophobicContact CB-CE2 4.27Å; R3-F7 HydrophobicContact CG-CE2 3.96Å; R3-F7 WeakPolarHBondContact O-CD2 3.34Å; R3-F7 PolarHBondContact O-N 3.15Å; R3-F7 VanDerWaalsContact O-N 3.16Å; F7-Y9 VanDerWaalsContact C-N 3.33Å; F7-Y9 PolarHBondContact O-N 3.04Å; F7-W10 PolarHBondContact O-N 3.42Å; F7-L11 WeakPolarHBondContact O-CG 3.44Å; F7-L11 PolarHBondContact O-N 3.25Å |
| 8 | S | 84.4 | Confident | 82.2 | Confident | 60 Ų | 60 | 124.2 Ų | 124.2 | 42% | 0.42 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.4 | -39.3 | 177.2 | 173.5 | 0 | 0 | 0 | 0 | 112.2 | R4 H5 L11 L12 | R4-S8 PolarHBondContact O-N 3.36Å; R4-S8 VanDerWaalsContact O-N 3.15Å; H5-S8 PolarHBondContact O-N 3.07Å; S8-L11 PolarHBondContact O-N 3.28Å; S8-L12 WeakPolarHBondContact O-CB 3.4Å; S8-L12 WeakPolarHBondContact O-CG 2.97Å; S8-L12 PolarHBondContact O-N 3.46Å |
| 9 | Y | 88.8 | Confident | 82.4 | Confident | 156 Ų | 156 | 120.5 Ų | 120.5 | 61% | 0.612 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.7 | -46.2 | 175.9 | 179.1 | -100.9 | 0 | 0 | 0 | 112 | H5 C6 F7 L11 L12 V13 | H5-Y9 WeakPolarHBondContact O-CB 3.5Å; H5-Y9 PolarHBondContact O-N 2.98Å; C6-Y9 PolarHBondContact O-N 3.19Å; F7-Y9 VanDerWaalsContact C-N 3.33Å; F7-Y9 PolarHBondContact O-N 3.04Å; Y9-L11 VanDerWaalsContact C-N 3.35Å; Y9-L11 PolarHBondContact O-N 2.97Å; Y9-L12 PolarHBondContact O-N 3.25Å; Y9-V13 HydrophobicContact CD1-CG2 4.4Å; Y9-V13 HydrophobicContact CE1-CG2 4Å; Y9-V13 HydrophobicContact CE2-CG2 4.21Å; Y9-V13 WeakPolarHBondContact O-CG2 3.34Å; Y9-V13 PolarHBondContact O-N 3.45Å |
| 10 | W | 93.2 | Very high | 82.5 | Confident | 188 Ų | 188 | 119.7 Ų | 119.7 | 71% | 0.712 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60.4 | -42.8 | 176.3 | -92.8 | 77.6 | 0 | 0 | 0 | 112.5 | C6 F7 V13 C14 | C6-W10 PolarHBondContact O-N 3.16Å; F7-W10 PolarHBondContact O-N 3.42Å; W10-V13 PolarHBondContact O-N 2.9Å; W10-C14 PolarHBondContact O-N 2.92Å |
| 11 | L | 91.9 | Very high | 82.4 | Confident | 124 Ų | 124 | 117.5 Ų | 117.5 | 65% | 0.649 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.8 | -39.7 | 176.5 | -72.1 | 171.3 | 0 | 0 | 0 | 112.6 | F7 S8 Y9 C14 W15 | F7-L11 WeakPolarHBondContact O-CG 3.44Å; F7-L11 PolarHBondContact O-N 3.25Å; S8-L11 PolarHBondContact O-N 3.28Å; Y9-L11 VanDerWaalsContact C-N 3.35Å; Y9-L11 PolarHBondContact O-N 2.97Å; L11-C14 PolarHBondContact O-N 3.43Å; L11-W15 WeakPolarHBondContact O-CB 3.37Å; L11-W15 PolarHBondContact O-N 2.97Å |
| 12 | L | 92.3 | Very high | 83.3 | Confident | 94 Ų | 94 | 113.3 Ų | 113.3 | 49% | 0.492 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.1 | -41.2 | 176 | -79.5 | 164.8 | 0 | 0 | 0 | 112.1 | S8 Y9 W15 L16 | S8-L12 WeakPolarHBondContact O-CB 3.4Å; S8-L12 WeakPolarHBondContact O-CG 2.97Å; S8-L12 PolarHBondContact O-N 3.46Å; Y9-L12 PolarHBondContact O-N 3.25Å; L12-W15 HydrophobicContact CD2-CE3 4.29Å; L12-W15 PolarHBondContact O-N 3.42Å; L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 PolarHBondContact O-N 3.32Å |
| 13 | V | 92.5 | Very high | 83.5 | Confident | 63 Ų | 63 | 111.8 Ų | 111.8 | 38% | 0.382 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.3 | -45.2 | 176.1 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | Y9 W10 W15 L16 V17 | Y9-V13 HydrophobicContact CD1-CG2 4.4Å; Y9-V13 HydrophobicContact CE1-CG2 4Å; Y9-V13 HydrophobicContact CE2-CG2 4.21Å; Y9-V13 WeakPolarHBondContact O-CG2 3.34Å; Y9-V13 PolarHBondContact O-N 3.45Å; W10-V13 PolarHBondContact O-N 2.9Å; V13-W15 VanDerWaalsContact C-N 3.33Å; V13-W15 PolarHBondContact O-N 2.91Å; V13-L16 PolarHBondContact O-N 3.17Å; V13-V17 WeakPolarHBondContact O-CG2 3.46Å; V13-V17 PolarHBondContact O-N 3.46Å |
| 14 | C | 92.5 | Very high | 82.9 | Confident | 70 Ų | 70 | 109.9 Ų | 109.9 | 47% | 0.473 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.3 | -45.6 | 173.8 | -91.1 | 0 | 0 | 0 | 0 | 111.9 | W10 L11 L16 V17 V18 | W10-C14 PolarHBondContact O-N 2.92Å; L11-C14 PolarHBondContact O-N 3.43Å; C14-L16 PolarHBondContact O-N 3.3Å; C14-V17 PolarHBondContact O-N 2.84Å; C14-V18 VanDerWaalsContact O-CG2 3.32Å; C14-V18 WeakPolarHBondContact O-CG2 3.32Å; C14-V18 PolarHBondContact O-N 3.42Å |
| 15 | W | 93.4 | Very high | 82.3 | Confident | 173 Ų | 173 | 106.4 Ų | 106.4 | 66% | 0.655 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.8 | -44.5 | 178.3 | -176.8 | 46.5 | 0 | 0 | 0 | 111.4 | L11 L12 V13 V17 V18 T19 | L11-W15 WeakPolarHBondContact O-CB 3.37Å; L11-W15 PolarHBondContact O-N 2.97Å; L12-W15 HydrophobicContact CD2-CE3 4.29Å; L12-W15 PolarHBondContact O-N 3.42Å; V13-W15 VanDerWaalsContact C-N 3.33Å; V13-W15 PolarHBondContact O-N 2.91Å; W15-V17 PolarHBondContact O-N 3.49Å; W15-V18 PolarHBondContact O-N 2.94Å; W15-T19 HydrophobicContact CG-CG2 4.48Å; W15-T19 WeakPolarHBondContact O-CG2 3.34Å; W15-T19 PolarHBondContact O-N 3.31Å; W15-T19 PolarHBondContact O-OG1 3.01Å |
| 16 | L | 92.2 | Very high | 81.5 | Confident | 108 Ų | 108 | 107.9 Ų | 107.9 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -59.4 | -45.8 | 175.9 | -173.9 | 68.4 | 0 | 0 | 0 | 111.7 | L12 V13 C14 V18 T19 V20 | L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 PolarHBondContact O-N 3.32Å; V13-L16 PolarHBondContact O-N 3.17Å; C14-L16 PolarHBondContact O-N 3.3Å; L16-V18 VanDerWaalsContact C-N 3.34Å; L16-V18 PolarHBondContact O-N 3.43Å; L16-T19 WeakPolarHBondContact CA-OG1 3.32Å; L16-T19 PolarHBondContact O-N 3.26Å; L16-T19 PolarHBondContact O-OG1 2.95Å; L16-V20 HydrophobicContact CD1-CG2 4.45Å; L16-V20 HydrophobicContact CG-CG2 4.44Å; L16-V20 WeakPolarHBondContact O-CB 3.35Å; L16-V20 VanDerWaalsContact O-CG2 3.28Å; L16-V20 WeakPolarHBondContact O-CG2 3.42Å; L16-V20 PolarHBondContact O-N 3.28Å |
| 17 | V | 92.1 | Very high | 80 | Confident | 93 Ų | 93 | 110.2 Ų | 110.2 | 56% | 0.564 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.2 | -43.3 | 178 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | V13 C14 W15 V20 A21 | V13-V17 WeakPolarHBondContact O-CG2 3.46Å; V13-V17 PolarHBondContact O-N 3.46Å; C14-V17 PolarHBondContact O-N 2.84Å; W15-V17 PolarHBondContact O-N 3.49Å; V17-V20 PolarHBondContact O-N 2.97Å; V17-A21 WeakPolarHBondContact O-CB 3.28Å; V17-A21 PolarHBondContact O-N 3.44Å |
| 18 | V | 87.6 | Confident | 78.6 | Confident | 71 Ų | 71 | 112.4 Ų | 112.4 | 43% | 0.43 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62 | -47.8 | 175.5 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | C14 W15 L16 V20 A21 E22 | C14-V18 VanDerWaalsContact O-CG2 3.32Å; C14-V18 WeakPolarHBondContact O-CG2 3.32Å; C14-V18 PolarHBondContact O-N 3.42Å; W15-V18 PolarHBondContact O-N 2.94Å; L16-V18 VanDerWaalsContact C-N 3.34Å; L16-V18 PolarHBondContact O-N 3.43Å; V18-V20 VanDerWaalsContact C-N 3.3Å; V18-V20 PolarHBondContact O-N 3.45Å; V18-A21 PolarHBondContact O-N 2.98Å; V18-A21 VanDerWaalsContact O-N 3.15Å; V18-E22 HydrophobicContact CG1-CG 4.2Å; V18-E22 WeakPolarHBondContact O-CB 3.23Å; V18-E22 PolarHBondContact O-N 3.46Å |
| 19 | T | 85.4 | Confident | 76.8 | Confident | 54 Ų | 54 | 114.7 Ų | 114.7 | 33% | 0.331 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.3 | -28.9 | 179.1 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | W15 L16 G23 | W15-T19 HydrophobicContact CG-CG2 4.48Å; W15-T19 WeakPolarHBondContact O-CG2 3.34Å; W15-T19 PolarHBondContact O-N 3.31Å; W15-T19 PolarHBondContact O-OG1 3.01Å; L16-T19 WeakPolarHBondContact CA-OG1 3.32Å; L16-T19 PolarHBondContact O-N 3.26Å; L16-T19 PolarHBondContact O-OG1 2.95Å; T19-G23 VanDerWaalsContact O-CA 3.23Å; T19-G23 WeakPolarHBondContact O-CA 3.32Å; T19-G23 PolarHBondContact O-N 3.39Å |
| 20 | V | 84.1 | Confident | 75.1 | Confident | 104 Ų | 104 | 112 Ų | 112 | 63% | 0.63 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -76.5 | -34.9 | 174.7 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | L16 V17 V18 | L16-V20 HydrophobicContact CD1-CG2 4.45Å; L16-V20 HydrophobicContact CG-CG2 4.44Å; L16-V20 WeakPolarHBondContact O-CB 3.35Å; L16-V20 VanDerWaalsContact O-CG2 3.28Å; L16-V20 WeakPolarHBondContact O-CG2 3.42Å; L16-V20 PolarHBondContact O-N 3.28Å; V17-V20 PolarHBondContact O-N 2.97Å; V18-V20 VanDerWaalsContact C-N 3.3Å; V18-V20 PolarHBondContact O-N 3.45Å |
| 21 | A | 81.4 | Confident | 73.3 | Confident | 74 Ų | 74 | 109.4 Ų | 109.4 | 61% | 0.612 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.5 | -42.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V17 V18 | V17-A21 WeakPolarHBondContact O-CB 3.28Å; V17-A21 PolarHBondContact O-N 3.44Å; V18-A21 PolarHBondContact O-N 2.98Å; V18-A21 VanDerWaalsContact O-N 3.15Å |
| 22 | E | 72.6 | Confident | 71.2 | Confident | 108 Ų | 108 | 106.2 Ų | 106.2 | 51% | 0.505 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -79.3 | -23.7 | 176.6 | -70.4 | -166.2 | 142.7 | 0 | 0 | 112.7 | V18 Q24 E25 | V18-E22 HydrophobicContact CG1-CG 4.2Å; V18-E22 WeakPolarHBondContact O-CB 3.23Å; V18-E22 PolarHBondContact O-N 3.46Å; E22-Q24 PolarHBondContact O-N 3.15Å; E22-E25 WeakPolarHBondContact CA-OE1 3.45Å; E22-E25 VanDerWaalsContact CB-OE1 3.26Å; E22-E25 WeakPolarHBondContact CB-OE1 3.36Å; E22-E25 VanDerWaalsContact CG-OE1 3.26Å; E22-E25 WeakPolarHBondContact CG-OE1 3.26Å; E22-E25 VanDerWaalsContact O-CG 3.3Å; E22-E25 WeakPolarHBondContact O-CG 3.26Å; E22-E25 PolarHBondContact O-N 3.11Å |
| 23 | G | 65 | Low | 69 | Low | 47 Ų | 47 | 109.1 Ų | 109.1 | 49% | 0.485 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.1 | 1.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | T19 | T19-G23 VanDerWaalsContact O-CA 3.23Å; T19-G23 WeakPolarHBondContact O-CA 3.32Å; T19-G23 PolarHBondContact O-N 3.39Å |
| 24 | Q | 55.3 | Low | 67.1 | Low | 165 Ų | 165 | 111.1 Ų | 111.1 | 77% | 0.771 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -13.7 | 169.4 | -67.8 | -156.9 | -21.4 | 0 | 0 | 114.1 | E22 | E22-Q24 PolarHBondContact O-N 3.15Š|
| 25 | E | 55.8 | Low | 65.4 | Low | 127 Ų | 127 | 116.7 Ų | 116.7 | 59% | 0.593 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -10.8 | -174.4 | 76.2 | -158.7 | 103.7 | 0 | 0 | 114.4 | E22 | E22-E25 WeakPolarHBondContact CA-OE1 3.45Å; E22-E25 VanDerWaalsContact CB-OE1 3.26Å; E22-E25 WeakPolarHBondContact CB-OE1 3.36Å; E22-E25 VanDerWaalsContact CG-OE1 3.26Å; E22-E25 WeakPolarHBondContact CG-OE1 3.26Å; E22-E25 VanDerWaalsContact O-CG 3.3Å; E22-E25 WeakPolarHBondContact O-CG 3.26Å; E22-E25 PolarHBondContact O-N 3.11Å |
| 26 | E | 53.8 | Low | 63.5 | Low | 178 Ų | 178 | 114.1 Ų | 114.1 | 83% | 0.832 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -118.2 | -4.6 | -176.4 | -150.6 | 159.5 | -166 | 0 | 0 | 115.2 | | |
| 27 | V | 48 | Very low | 61.7 | Low | 127 Ų | 127 | 116.8 Ų | 116.8 | 77% | 0.77 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -105.7 | -1.6 | 173.7 | 178.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 28 | F | 48.2 | Very low | 59.9 | Low | 177 Ų | 177 | 116.6 Ų | 116.6 | 78% | 0.776 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -126.2 | 24.7 | -174.4 | -115.5 | -88.3 | 0 | 0 | 0 | 115.6 | P30 | F28-P30 WeakPolarHBondContact O-CD 3.41Š|
| 29 | T | 47.4 | Very low | 58.4 | Low | 108 Ų | 108 | 120.1 Ų | 120.1 | 66% | 0.663 | 69% | 0.692 | S | S | * | * | | | trans | -110.9 | 89.7 | 159.3 | -10.7 | 0 | 0 | 0 | 0 | 108.1 | P31 | T29-P31 WeakPolarHBondContact O-CD 3.14Š|
| 30 | P | 52 | Low | 57 | Low | 99 Ų | 99 | 122.7 Ų | 122.7 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | | | trans | -55.9 | 129.8 | 144 | 27.6 | -29.7 | 0 | 0 | 0 | 105.6 | F28 G32 | F28-P30 WeakPolarHBondContact O-CD 3.41Å; P30-G32 PolarHBondContact O-N 2.98Å |
| 31 | P | 54.8 | Low | 55.6 | Low | 134 Ų | 134 | 123.4 Ų | 123.4 | 87% | 0.87 | 72% | 0.723 | S | S | * | * | | | trans | -63.4 | 90.1 | 170.7 | 24.8 | -30.2 | 0 | 0 | 0 | 107.4 | T29 | T29-P31 WeakPolarHBondContact O-CD 3.14Š|
| 32 | G | 48.1 | Very low | 54.1 | Low | 57 Ų | 57 | 125.9 Ų | 125.9 | 59% | 0.588 | 73% | 0.727 | S | S | * | * | | | trans | -87.2 | 121.9 | -179 | 0 | 0 | 0 | 0 | 0 | 110 | P30 | P30-G32 PolarHBondContact O-N 2.98Š|
| 33 | D | 46.4 | Very low | 53.5 | Low | 154 Ų | 154 | 126.1 Ų | 126.1 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | | | trans | 84.6 | 75.5 | 152.1 | -53.7 | -27.4 | 0 | 0 | 0 | 117.7 | | |
| 34 | S | 53.5 | Low | 53.2 | Low | 105 Ų | 105 | 131.6 Ų | 131.6 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | trans | -114.1 | 79.4 | 130.2 | 63.4 | 0 | 0 | 0 | 0 | 108.9 | N36 | S34-N36 PolarHBondContact O-N 3.15Š|
| 35 | Q | 56 | Low | 53.5 | Low | 187 Ų | 187 | 129.9 Ų | 129.9 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | | | trans | -63.1 | 88.4 | 164.9 | -174.9 | 178.9 | 12.6 | 0 | 0 | 108 | | |
| 36 | N | 53.7 | Low | 53.2 | Low | 119 Ų | 119 | 132.1 Ų | 132.1 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | | | trans | -112.1 | 114.6 | 160.5 | 66.8 | 73.9 | 0 | 0 | 0 | 108.7 | S34 A38 | S34-N36 PolarHBondContact O-N 3.15Å; N36-A38 PolarHBondContact O-N 2.92Å |
| 37 | N | 54 | Low | 53.2 | Low | 164 Ų | 164 | 129.6 Ų | 129.6 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | | | trans | 2.6 | 96.9 | 159.7 | -57.5 | -72.9 | 0 | 0 | 0 | 116.1 | | |
| 38 | A | 54.8 | Low | 53.8 | Low | 90 Ų | 90 | 131.7 Ų | 131.7 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | | | trans | -132.8 | 96.6 | 153.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | N36 | N36-A38 PolarHBondContact O-N 2.92Š|
| 39 | D | 56.3 | Low | 54.5 | Low | 144 Ų | 144 | 128 Ų | 128 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | | | trans | 26.3 | 110.7 | 158.4 | -59.3 | -49.3 | 0 | 0 | 0 | 117.6 | T41 | D39-T41 PolarHBondContact O-N 2.87Š|
| 40 | A | 55.5 | Low | 55.4 | Low | 109 Ų | 109 | 128.1 Ų | 128.1 | 90% | 0.901 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -67.2 | 44 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 41 | T | 54.3 | Low | 56 | Low | 118 Ų | 118 | 128.7 Ų | 128.7 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | | | trans | -142 | 48 | -176.1 | -32.4 | 0 | 0 | 0 | 0 | 112 | D39 | D39-T41 PolarHBondContact O-N 2.87Š|
| 42 | D | 51 | Low | 56.3 | Low | 127 Ų | 127 | 127.4 Ų | 127.4 | 68% | 0.679 | 75% | 0.748 | S | S | * | * | | | trans | -123.4 | 60 | 155.8 | -160.4 | 24 | 0 | 0 | 0 | 109.7 | Q44 | D42-Q44 PolarHBondContact O-N 3.33Å; D42-Q44 PolarHBondContact OD1-NE2 3.37Å |
| 43 | C | 59.5 | Low | 57.1 | Low | 112 Ų | 112 | 128.4 Ų | 128.4 | 76% | 0.757 | 75% | 0.75 | S | S | * | * | | | trans | -64.2 | 79.6 | 154.2 | -67.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 44 | Q | 58.5 | Low | 58 | Low | 163 Ų | 163 | 127.2 Ų | 127.2 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | trans | -105.2 | 72.7 | 154.3 | -80.4 | -171.7 | 76.6 | 0 | 0 | 109.5 | D42 F46 | D42-Q44 PolarHBondContact O-N 3.33Å; D42-Q44 PolarHBondContact OD1-NE2 3.37Å; Q44-F46 PolarHBondContact O-N 2.8Å |
| 45 | I | 61.2 | Low | 58.5 | Low | 129 Ų | 129 | 132.7 Ų | 132.7 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | | | trans | -54.1 | 126.3 | 146.1 | -66.3 | 166.7 | 0 | 0 | 0 | 106.4 | | |
| 46 | F | 50.5 | Low | 58.8 | Low | 174 Ų | 174 | 128 Ų | 128 | 76% | 0.763 | 74% | 0.743 | S | S | * | * | | | | 161.5 | 114.1 | 129.7 | -86.9 | -68.7 | 0 | 0 | 0 | 110.3 | Q44 | Q44-F46 PolarHBondContact O-N 2.8Š|
| 47 | T | 53.2 | Low | 58.8 | Low | 125 Ų | 125 | 127.6 Ų | 127.6 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | | | | -171.1 | 116.5 | 124.7 | -69.9 | 0 | 0 | 0 | 0 | 109.8 | T49 | T47-T49 VanDerWaalsContact C-N 3.31Å; T47-T49 PolarHBondContact O-N 3.28Å |
| 48 | L | 62 | Low | 59.1 | Low | 170 Ų | 170 | 125.7 Ų | 125.7 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | | | trans | -72.8 | 69.3 | 176.7 | -84.5 | 147.4 | 0 | 0 | 0 | 112.3 | | |
| 49 | T | 62.2 | Low | 59.2 | Low | 101 Ų | 101 | 127.2 Ų | 127.2 | 62% | 0.62 | 74% | 0.741 | S | S | * | * | | | trans | -135.6 | 113.2 | 165.2 | -52.6 | 0 | 0 | 0 | 0 | 108.5 | T47 | T47-T49 VanDerWaalsContact C-N 3.31Å; T47-T49 PolarHBondContact O-N 3.28Å |
| 50 | P | 65.6 | Low | 59.2 | Low | 109 Ų | 109 | 130.1 Ų | 130.1 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -60 | 134.1 | 169.4 | 25.3 | -31.3 | 0 | 0 | 0 | 108.5 | | |
| 51 | P | 64.9 | Low | 59.6 | Low | 112 Ų | 112 | 129 Ų | 129 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 133.7 | 176.8 | 22.6 | -31.8 | 0 | 0 | 0 | 108.9 | A53 | P51-A53 PolarHBondContact O-N 3.46Å; P51-A53 VanDerWaalsContact O-N 3.16Å |
| 52 | P | 62.3 | Low | 60.1 | Low | 107 Ų | 107 | 130.6 Ų | 130.6 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 126.8 | 179.6 | 19.2 | -28.5 | 0 | 0 | 0 | 109.3 | | |
| 53 | A | 63 | Low | 60.4 | Low | 77 Ų | 77 | 130 Ų | 130 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | | | trans | -42.8 | 137.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P51 R55 | P51-A53 PolarHBondContact O-N 3.46Å; P51-A53 VanDerWaalsContact O-N 3.16Å; A53-R55 PolarHBondContact O-N 3.21Å |
| 54 | P | 65.6 | Low | 60.7 | Low | 130 Ų | 130 | 131.4 Ų | 131.4 | 84% | 0.844 | 73% | 0.733 | S | S | * | * | | | trans | -57.8 | 106.9 | 174 | -18.4 | 29.3 | 0 | 0 | 0 | 108.6 | S56 | P54-S56 PolarHBondContact O-N 2.78Å; P54-S56 VanDerWaalsContact O-N 3.15Å |
| 55 | R | 64.9 | Low | 60.5 | Low | 219 Ų | 219 | 129.2 Ų | 129.2 | 83% | 0.826 | 73% | 0.731 | S | S | * | * | | | trans | -64.8 | 118.4 | 171.6 | -50.6 | -172.4 | -172.2 | 100.3 | 1.8 | 105.2 | A53 | A53-R55 PolarHBondContact O-N 3.21Š|
| 56 | S | 61.4 | Low | 60.7 | Low | 88 Ų | 88 | 131.7 Ų | 131.7 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | | | trans | -40.7 | 130.4 | -175.5 | 58.7 | 0 | 0 | 0 | 0 | 111.1 | P54 V58 | P54-S56 PolarHBondContact O-N 2.78Å; P54-S56 VanDerWaalsContact O-N 3.15Å; S56-V58 PolarHBondContact O-N 2.86Å |
| 57 | P | 54.3 | Low | 61.5 | Low | 112 Ų | 112 | 128.7 Ų | 128.7 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | trans | -64.8 | 104.7 | 167.2 | 27.1 | -30 | 0 | 0 | 0 | 106.5 | T59 | P57-T59 PolarHBondContact O-N 2.76Š|
| 58 | V | 59.3 | Low | 61.9 | Low | 124 Ų | 124 | 128.6 Ų | 128.6 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | | | trans | -71.5 | 74.4 | 166.6 | 179.5 | 0 | 0 | 0 | 0 | 106 | S56 R60 | S56-V58 PolarHBondContact O-N 2.86Å; V58-R60 HydrophobicContact CG1-CB 4.44Å; V58-R60 PolarHBondContact O-N 2.93Å |
| 59 | T | 57.2 | Low | 62 | Low | 121 Ų | 121 | 130.9 Ų | 130.9 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | | | trans | -77.8 | 75.2 | 170.6 | -54.7 | 0 | 0 | 0 | 0 | 107.1 | P57 A61 | P57-T59 PolarHBondContact O-N 2.76Å; T59-A61 PolarHBondContact O-N 2.79Å |
| 60 | R | 56.5 | Low | 62 | Low | 206 Ų | 206 | 136.4 Ų | 136.4 | 78% | 0.777 | 74% | 0.742 | S | S | * | * | | | trans | -89.3 | 83.6 | 163.6 | -166.8 | 178.2 | -179.6 | -176.1 | 0.3 | 108.1 | V58 Q62 | V58-R60 HydrophobicContact CG1-CB 4.44Å; V58-R60 PolarHBondContact O-N 2.93Å; R60-Q62 PolarHBondContact O-N 3.34Å; R60-Q62 VanDerWaalsContact O-N 3.11Å |
| 61 | A | 63.4 | Low | 62.1 | Low | 86 Ų | 86 | 139.6 Ų | 139.6 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | | | trans | -63.4 | 109.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | T59 P63 | T59-A61 PolarHBondContact O-N 2.79Å; A61-P63 WeakPolarHBondContact O-CD 3.32Å |
| 62 | Q | 65.2 | Low | 61.5 | Low | 151 Ų | 151 | 139.5 Ų | 139.5 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | | | trans | -75.6 | 124.3 | 170.3 | -66.8 | -167.6 | 29.5 | 0 | 0 | 108.3 | R60 I64 | R60-Q62 PolarHBondContact O-N 3.34Å; R60-Q62 VanDerWaalsContact O-N 3.11Å; Q62-I64 PolarHBondContact O-N 2.88Å |
| 63 | P | 58.4 | Low | 61.2 | Low | 114 Ų | 114 | 145.9 Ų | 145.9 | 74% | 0.74 | 76% | 0.755 | S | S | * | * | | | trans | -68.3 | 103.7 | 168.3 | 26.7 | -30.1 | 0 | 0 | 0 | 107.9 | A61 T65 | A61-P63 WeakPolarHBondContact O-CD 3.32Å; P63-T65 VanDerWaalsContact C-N 3.33Å; P63-T65 PolarHBondContact O-N 3.15Å |
| 64 | I | 65.4 | Low | 60.7 | Low | 141 Ų | 141 | 153.3 Ų | 153.3 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | | | trans | -66.2 | 99.7 | 170.4 | -61 | 173.2 | 0 | 0 | 0 | 106.5 | Q62 K66 | Q62-I64 PolarHBondContact O-N 2.88Å; I64-K66 VanDerWaalsContact C-N 3.31Å; I64-K66 HydrophobicContact CG2-CG 4.01Å; I64-K66 PolarHBondContact O-N 2.81Å |
| 65 | T | 54.8 | Low | 60.3 | Low | 117 Ų | 117 | 157.4 Ų | 157.4 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | | | trans | -71 | 89.7 | 174.2 | -59.8 | 0 | 0 | 0 | 0 | 107.8 | P63 T67 | P63-T65 VanDerWaalsContact C-N 3.33Å; P63-T65 PolarHBondContact O-N 3.15Å; T65-T67 HydrophobicContact CG2-CG2 4.46Å; T65-T67 PolarHBondContact O-N 2.88Å; T65-T67 VanDerWaalsContact O-N 3.17Å |
| 66 | K | 64.6 | Low | 60 | Low | 182 Ų | 182 | 154.5 Ų | 154.5 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | trans | -76.1 | 98.7 | 168.6 | -70.7 | -170.6 | -176.9 | 176.3 | 0 | 107.9 | I64 P68 | I64-K66 VanDerWaalsContact C-N 3.31Å; I64-K66 HydrophobicContact CG2-CG 4.01Å; I64-K66 PolarHBondContact O-N 2.81Å; K66-P68 WeakPolarHBondContact O-CD 3.3Å |
| 67 | T | 66.5 | Low | 59.7 | Low | 111 Ų | 111 | 158.3 Ų | 158.3 | 68% | 0.681 | 77% | 0.773 | S | S | * | * | | | trans | -63.1 | 119.6 | 170.5 | 49.7 | 0 | 0 | 0 | 0 | 109.5 | T65 R69 | T65-T67 HydrophobicContact CG2-CG2 4.46Å; T65-T67 PolarHBondContact O-N 2.88Å; T65-T67 VanDerWaalsContact O-N 3.17Å; T67-R69 PolarHBondContact O-N 3.16Å |
| 68 | P | 63.1 | Low | 59.6 | Low | 122 Ų | 122 | 163.6 Ų | 163.6 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | | | trans | -68.5 | 116.2 | 172.6 | 26.9 | -30.9 | 0 | 0 | 0 | 108.6 | K66 Y70 | K66-P68 WeakPolarHBondContact O-CD 3.3Å; P68-Y70 PolarHBondContact O-N 2.87Å |
| 69 | R | 64.1 | Low | 59.3 | Low | 218 Ų | 218 | 161.2 Ų | 161.2 | 82% | 0.823 | 78% | 0.779 | S | S | * | * | | | trans | -67.6 | 103.4 | 170.1 | -71.5 | -172.7 | -174.3 | 176.6 | 2.5 | 107.9 | T67 F71 | T67-R69 PolarHBondContact O-N 3.16Å; R69-F71 WeakPolarHBondContact O-CD2 3.41Å; R69-F71 PolarHBondContact O-N 2.71Å; R69-F71 VanDerWaalsContact O-N 3.15Å |
| 70 | Y | 62.2 | Low | 58.7 | Low | 217 Ų | 217 | 161 Ų | 161 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | trans | -70.8 | 101.6 | 173.9 | -166.2 | -99.3 | 0 | 0 | 0 | 108.7 | P68 P72 | P68-Y70 PolarHBondContact O-N 2.87Å; Y70-P72 WeakPolarHBondContact O-CD 3.48Å |
| 71 | F | 66.3 | Low | 58.5 | Low | 177 Ų | 177 | 156.2 Ų | 156.2 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -72 | 120.6 | 171.1 | -71.3 | -85.1 | 0 | 0 | 0 | 108.9 | R69 R73 | R69-F71 WeakPolarHBondContact O-CD2 3.41Å; R69-F71 PolarHBondContact O-N 2.71Å; R69-F71 VanDerWaalsContact O-N 3.15Å; F71-R73 PolarHBondContact O-N 3.01Å; F71-R73 VanDerWaalsContact O-N 3.07Å |
| 72 | P | 52.3 | Low | 58.2 | Low | 110 Ų | 110 | 156.4 Ų | 156.4 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | | | trans | -69.9 | 113.1 | 176 | 27.7 | -30.2 | 0 | 0 | 0 | 108.4 | Y70 R74 | Y70-P72 WeakPolarHBondContact O-CD 3.48Å; P72-R74 PolarHBondContact O-N 3.43Å |
| 73 | R | 56.6 | Low | 57.4 | Low | 240 Ų | 240 | 158 Ų | 158 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | | | trans | -53.7 | 105.9 | 170.7 | -160.9 | -175.1 | -170 | -160.9 | 3.1 | 108 | F71 R75 | F71-R73 PolarHBondContact O-N 3.01Å; F71-R73 VanDerWaalsContact O-N 3.07Å; R73-R75 PolarHBondContact O-N 2.86Å |
| 74 | R | 52.4 | Low | 56.8 | Low | 234 Ų | 234 | 160.9 Ų | 160.9 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | | | trans | -55.3 | 106.9 | 171.3 | -79.2 | -174.2 | 179.7 | 176.2 | 0.1 | 107.7 | P72 L76 | P72-R74 PolarHBondContact O-N 3.43Å; R74-L76 PolarHBondContact O-N 2.75Å; R74-L76 VanDerWaalsContact O-N 3.08Å |
| 75 | R | 57.3 | Low | 55.9 | Low | 216 Ų | 216 | 163.2 Ų | 163.2 | 82% | 0.815 | 82% | 0.817 | S | S | * | * | | | trans | -66.8 | 102.7 | 162.1 | -69.6 | -161.5 | -123.6 | -111.2 | 5 | 106.2 | R73 Q77 | R73-R75 PolarHBondContact O-N 2.86Å; R75-Q77 PolarHBondContact O-N 2.93Å |
| 76 | L | 59.3 | Low | 55.9 | Low | 157 Ų | 157 | 165.6 Ų | 165.6 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | | | trans | -71 | 79.6 | 157.3 | -75 | 166.8 | 0 | 0 | 0 | 106.5 | R74 R78 | R74-L76 PolarHBondContact O-N 2.75Å; R74-L76 VanDerWaalsContact O-N 3.08Å; L76-R78 PolarHBondContact O-N 3.23Å |
| 77 | Q | 53.7 | Low | 55.5 | Low | 169 Ų | 169 | 164.7 Ų | 164.7 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | | | trans | -68.4 | 90.5 | 153.9 | -78.5 | -177.9 | 5.3 | 0 | 0 | 105.9 | R75 | R75-Q77 PolarHBondContact O-N 2.93Š|
| 78 | R | 52.8 | Low | 54.9 | Low | 223 Ų | 223 | 167.7 Ų | 167.7 | 84% | 0.842 | 83% | 0.831 | S | S | * | * | | | trans | -101 | 74.9 | 155.7 | -175.3 | 160.8 | -77.8 | 168.2 | -5.2 | 106.4 | L76 S80 | L76-R78 PolarHBondContact O-N 3.23Å; R78-S80 PolarHBondContact O-N 3.25Å |
| 79 | G | 53.5 | Low | 54.4 | Low | 73 Ų | 73 | 170.4 Ų | 170.4 | 75% | 0.753 | 83% | 0.834 | S | S | * | * | | | trans | -72 | 114.4 | 153.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 80 | S | 44.1 | Very low | 53.8 | Low | 117 Ų | 117 | 167.4 Ų | 167.4 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | | | trans | -139.1 | 112.7 | 150.4 | -116.3 | 0 | 0 | 0 | 0 | 106.6 | R78 | R78-S80 PolarHBondContact O-N 3.25Š|
| 81 | S | 51.6 | Low | 53.2 | Low | 106 Ų | 106 | 164.1 Ų | 164.1 | 74% | 0.741 | 83% | 0.833 | S | S | * | * | | | trans | -71.2 | 159 | 171.5 | -178.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 82 | S | 57.4 | Low | 52.3 | Low | 90 Ų | 90 | 163.1 Ų | 163.1 | 63% | 0.629 | 84% | 0.837 | S | S | * | * | | | trans | 92 | 141.4 | 146.4 | -44.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 83 | E | 48.9 | Very low | 52.3 | Low | 185 Ų | 185 | 167.2 Ų | 167.2 | 86% | 0.864 | 85% | 0.847 | S | S | * | * | | | trans | 82.7 | 137.6 | 163.2 | -64.9 | 159 | 81.4 | 0 | 0 | 116 | | |
| 84 | E | 45.9 | Very low | 51.9 | Low | 173 Ų | 173 | 161.2 Ų | 161.2 | 81% | 0.808 | 84% | 0.842 | S | S | * | * | | | cis | 173.1 | 145.5 | -13.4 | 165.2 | 161.1 | 80.1 | 0 | 0 | 104 | | |
| 85 | S | 46.4 | Very low | 51.9 | Low | 191 Ų | 191 | 154.5 Ų | 154.5 | 100% | 1.336 | 84% | 0.838 | S | S | * | * | | | trans | 76 | 0 | 173.4 | -62.9 | 0 | 0 | 0 | 0 | 119.9 | | |