| 1 | Y | 46.2 | Very low | 52.7 | Low | 294 Ų | 294 | 127.9 Ų | 127.9 | 100% | 1.153 | 72% | 0.717 | S | S | * | * | | | | 0 | 147.4 | 0 | -89.4 | -103.3 | 0 | 0 | 0 | 108.7 | | |
| 2 | G | 48.2 | Very low | 53.1 | Low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | | | trans | -72.8 | 152.7 | -154.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 3 | Y | 46.3 | Very low | 53 | Low | 200 Ų | 200 | 133.3 Ų | 133.3 | 78% | 0.784 | 72% | 0.723 | S | S | * | * | | | trans | -124.1 | 102 | 153.7 | -150.7 | -91.3 | 0 | 0 | 0 | 107.3 | H5 | Y3-H5 PolarHBondContact O-N 3.01Å; Y3-H5 VanDerWaalsContact O-N 3.08Å |
| 4 | P | 54.2 | Low | 53.4 | Low | 116 Ų | 116 | 130.8 Ų | 130.8 | 75% | 0.753 | 71% | 0.708 | S | S | * | * | | | trans | -77.6 | 97.2 | -176.9 | 30.2 | -32.4 | 0 | 0 | 0 | 109.4 | P6 | P4-P6 WeakPolarHBondContact O-CD 3.46Š|
| 5 | H | 53 | Low | 53 | Low | 131 Ų | 131 | 128.2 Ų | 128.2 | 61% | 0.606 | 69% | 0.694 | S | S | * | * | | | trans | -61.6 | 124.9 | 168.8 | -69 | -79.8 | 0 | 0 | 0 | 109.1 | Y3 G7 A8 | Y3-H5 PolarHBondContact O-N 3.01Å; Y3-H5 VanDerWaalsContact O-N 3.08Å; H5-G7 VanDerWaalsContact C-N 3.34Å; H5-G7 PolarHBondContact O-N 2.9Å; H5-A8 HydrophobicContact CB-CB 4.24Å; H5-A8 WeakPolarHBondContact O-CB 3.33Å; H5-A8 PolarHBondContact O-N 2.88Å |
| 6 | P | 52.8 | Low | 53.1 | Low | 139 Ų | 139 | 126.8 Ų | 126.8 | 90% | 0.903 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 92.5 | 175.4 | 28.8 | -33.3 | 0 | 0 | 0 | 108.9 | P4 | P4-P6 WeakPolarHBondContact O-CD 3.46Š|
| 7 | G | 55.3 | Low | 53.3 | Low | 77 Ų | 77 | 122 Ų | 122 | 79% | 0.794 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 130.2 | -3 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | H5 F9 | H5-G7 VanDerWaalsContact C-N 3.34Å; H5-G7 PolarHBondContact O-N 2.9Å; G7-F9 PolarHBondContact O-N 3.04Å; G7-F9 VanDerWaalsContact O-N 3.08Å |
| 8 | A | 55.2 | Low | 53.4 | Low | 66 Ų | 66 | 125.9 Ų | 125.9 | 55% | 0.545 | 68% | 0.677 | S | S | . | * | | | trans | -59.9 | 112.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | H5 N10 | H5-A8 HydrophobicContact CB-CB 4.24Å; H5-A8 WeakPolarHBondContact O-CB 3.33Å; H5-A8 PolarHBondContact O-N 2.88Å; A8-N10 PolarHBondContact O-N 3.07Å |
| 9 | F | 58.5 | Low | 53.6 | Low | 166 Ų | 166 | 126 Ų | 126 | 73% | 0.728 | 68% | 0.677 | S | S | * | * | | | trans | -51.4 | 98.4 | -176.8 | -161.3 | -112.4 | 0 | 0 | 0 | 111.4 | G7 P11 L14 | G7-F9 PolarHBondContact O-N 3.04Å; G7-F9 VanDerWaalsContact O-N 3.08Å; F9-P11 VanDerWaalsContact O-CD 3.25Å; F9-P11 WeakPolarHBondContact O-CD 3.27Å; F9-L14 HydrophobicContact CD1-CD1 3.51Å; F9-L14 HydrophobicContact CD2-CD1 3.93Å; F9-L14 HydrophobicContact CE1-CD1 3.26Å; F9-L14 HydrophobicContact CE1-CD2 4.35Å; F9-L14 HydrophobicContact CE1-CG 4.42Å; F9-L14 HydrophobicContact CE2-CD1 3.7Å; F9-L14 HydrophobicContact CE2-CD2 3.7Å; F9-L14 HydrophobicContact CE2-CG 4.31Å; F9-L14 HydrophobicContact CG-CD1 3.85Å; F9-L14 HydrophobicContact CZ-CD1 3.37Å; F9-L14 HydrophobicContact CZ-CD2 3.59Å; F9-L14 HydrophobicContact CZ-CG 4.12Å |
| 10 | N | 54 | Low | 53.7 | Low | 70 Ų | 70 | 124.3 Ų | 124.3 | 37% | 0.374 | 67% | 0.668 | S | S | . | * | | | trans | -80.3 | 106.2 | -177.7 | -177.1 | -2.9 | 0 | 0 | 0 | 109.6 | A8 F12 M13 | A8-N10 PolarHBondContact O-N 3.07Å; N10-F12 PolarHBondContact O-N 3.37Å; N10-F12 VanDerWaalsContact O-N 3.14Å; N10-F12 WeakPolarHBondContact OD1-CD2 3.5Å; N10-F12 PolarHBondContact OD1-N 3.13Å; N10-M13 HydrophobicContact CB-CB 4.28Å; N10-M13 HydrophobicContact CB-CG 4.09Å; N10-M13 HydrophobicContact CB-SD 3.84Å; N10-M13 WeakPolarHBondContact ND2-CG 3.41Å; N10-M13 PolarHBondContact ND2-SD 2.74Å; N10-M13 PolarHBondContact O-N 3.31Å |
| 11 | P | 56.3 | Low | 53.7 | Low | 73 Ų | 73 | 120.8 Ų | 120.8 | 47% | 0.474 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -61.2 | -30.7 | -170.9 | 25.9 | -34.8 | 0 | 0 | 0 | 112.4 | F9 M13 L14 | F9-P11 VanDerWaalsContact O-CD 3.25Å; F9-P11 WeakPolarHBondContact O-CD 3.27Å; P11-M13 PolarHBondContact O-N 2.89Å; P11-L14 PolarHBondContact O-N 3.35Å |
| 12 | F | 56.8 | Low | 54.2 | Low | 177 Ų | 177 | 109.3 Ų | 109.3 | 78% | 0.776 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.2 | -12.9 | 179.7 | -49.7 | -67.5 | 0 | 0 | 0 | 113.7 | N10 | N10-F12 PolarHBondContact O-N 3.37Å; N10-F12 VanDerWaalsContact O-N 3.14Å; N10-F12 WeakPolarHBondContact OD1-CD2 3.5Å; N10-F12 PolarHBondContact OD1-N 3.13Å |
| 13 | M | 51.9 | Low | 54.2 | Low | 149 Ų | 149 | 114.5 Ų | 114.5 | 73% | 0.734 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -93.7 | -13.9 | 176.1 | -71.8 | 176.3 | 63.8 | 0 | 0 | 113.8 | N10 P11 | N10-M13 HydrophobicContact CB-CB 4.28Å; N10-M13 HydrophobicContact CB-CG 4.09Å; N10-M13 HydrophobicContact CB-SD 3.84Å; N10-M13 WeakPolarHBondContact ND2-CG 3.41Å; N10-M13 PolarHBondContact ND2-SD 2.74Å; N10-M13 PolarHBondContact O-N 3.31Å; P11-M13 PolarHBondContact O-N 2.89Å |
| 14 | L | 58.6 | Low | 54.6 | Low | 98 Ų | 98 | 109 Ų | 109 | 51% | 0.513 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -82.6 | -31.2 | -169.7 | -83.2 | 137.9 | 0 | 0 | 0 | 114.2 | F9 P11 | F9-L14 HydrophobicContact CD1-CD1 3.51Å; F9-L14 HydrophobicContact CD2-CD1 3.93Å; F9-L14 HydrophobicContact CE1-CD1 3.26Å; F9-L14 HydrophobicContact CE1-CD2 4.35Å; F9-L14 HydrophobicContact CE1-CG 4.42Å; F9-L14 HydrophobicContact CE2-CD1 3.7Å; F9-L14 HydrophobicContact CE2-CD2 3.7Å; F9-L14 HydrophobicContact CE2-CG 4.31Å; F9-L14 HydrophobicContact CG-CD1 3.85Å; F9-L14 HydrophobicContact CZ-CD1 3.37Å; F9-L14 HydrophobicContact CZ-CD2 3.59Å; F9-L14 HydrophobicContact CZ-CG 4.12Å; P11-L14 PolarHBondContact O-N 3.35Å |
| 15 | N | 47.8 | Very low | 54.6 | Low | 92 Ų | 92 | 108.1 Ų | 108.1 | 49% | 0.492 | 59% | 0.594 | S | S | . | * | | | trans | -162.2 | 114.3 | 163.7 | -161.2 | -12.1 | 0 | 0 | 0 | 111.8 | A17 W18 | N15-A17 PolarHBondContact O-N 2.86Å; N15-A17 VanDerWaalsContact OD1-CB 3.22Å; N15-A17 WeakPolarHBondContact OD1-CB 3.42Å; N15-A17 PolarHBondContact OD1-N 3.46Å; N15-W18 WeakPolarHBondContact O-CB 3.4Å; N15-W18 PolarHBondContact O-N 3.39Å; N15-W18 VanDerWaalsContact O-N 3.12Å |
| 16 | P | 54.3 | Low | 54.5 | Low | 105 Ų | 105 | 111.7 Ų | 111.7 | 68% | 0.682 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -23.6 | 170.1 | 26.3 | -33.2 | 0 | 0 | 0 | 112.5 | W18 L19 | P16-W18 PolarHBondContact O-N 2.98Å; P16-L19 WeakPolarHBondContact O-CB 3.42Å; P16-L19 PolarHBondContact O-N 3.17Å |
| 17 | A | 56.3 | Low | 54.6 | Low | 46 Ų | 46 | 107.5 Ų | 107.5 | 38% | 0.38 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.9 | -8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | N15 L19 A21 | N15-A17 PolarHBondContact O-N 2.86Å; N15-A17 VanDerWaalsContact OD1-CB 3.22Å; N15-A17 WeakPolarHBondContact OD1-CB 3.42Å; N15-A17 PolarHBondContact OD1-N 3.46Å; A17-L19 PolarHBondContact O-N 3.32Å; A17-A21 WeakPolarHBondContact O-CB 3.45Å; A17-A21 PolarHBondContact O-N 2.84Å |
| 18 | W | 56 | Low | 54.2 | Low | 192 Ų | 192 | 110.5 Ų | 110.5 | 73% | 0.727 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -54.8 | -45.5 | 161.2 | 162.4 | -63.3 | 0 | 0 | 0 | 110.2 | N15 P16 A22 | N15-W18 WeakPolarHBondContact O-CB 3.4Å; N15-W18 PolarHBondContact O-N 3.39Å; N15-W18 VanDerWaalsContact O-N 3.12Å; P16-W18 PolarHBondContact O-N 2.98Å; W18-A22 WeakPolarHBondContact O-CB 3.48Å; W18-A22 PolarHBondContact O-N 2.97Å |
| 19 | L | 56.6 | Low | 54.1 | Low | 128 Ų | 128 | 110.5 Ų | 110.5 | 67% | 0.67 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -75.8 | -40.6 | -171.1 | -156.4 | 74.1 | 0 | 0 | 0 | 110.6 | P16 A17 Y23 | P16-L19 WeakPolarHBondContact O-CB 3.42Å; P16-L19 PolarHBondContact O-N 3.17Å; A17-L19 PolarHBondContact O-N 3.32Å; L19-Y23 WeakPolarHBondContact O-CB 3.42Å; L19-Y23 PolarHBondContact O-N 3.43Å |
| 20 | D | 56.3 | Low | 53.9 | Low | 92 Ų | 92 | 105.6 Ų | 105.6 | 49% | 0.492 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.5 | -49 | 171.9 | -171.9 | 55.8 | 0 | 0 | 0 | 111.6 | A22 Y23 M24 | D20-A22 PolarHBondContact O-N 2.69Å; D20-Y23 PolarHBondContact O-N 3.42Å; D20-M24 WeakPolarHBondContact O-CB 3.46Å; D20-M24 VanDerWaalsContact O-CG 3.27Å; D20-M24 WeakPolarHBondContact O-CG 3.41Å; D20-M24 PolarHBondContact O-N 3.45Å |
| 21 | A | 53.5 | Low | 53.7 | Low | 51 Ų | 51 | 109.3 Ų | 109.3 | 42% | 0.421 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.5 | -39.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A17 T25 | A17-A21 WeakPolarHBondContact O-CB 3.45Å; A17-A21 PolarHBondContact O-N 2.84Å; A21-T25 WeakPolarHBondContact O-CB 3.48Å; A21-T25 PolarHBondContact O-N 3Å; A21-T25 PolarHBondContact O-OG1 2.69Å |
| 22 | A | 55.3 | Low | 53.7 | Low | 52 Ų | 52 | 112.1 Ų | 112.1 | 43% | 0.43 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.8 | -40.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | W18 D20 | W18-A22 WeakPolarHBondContact O-CB 3.48Å; W18-A22 PolarHBondContact O-N 2.97Å; D20-A22 PolarHBondContact O-N 2.69Å |
| 23 | Y | 49.5 | Very low | 53.7 | Low | 184 Ų | 184 | 110.7 Ų | 110.7 | 72% | 0.722 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.9 | -47.1 | 177.1 | -168.4 | -102.1 | 0 | 0 | 0 | 112.1 | L19 D20 T25 Y26 G27 | L19-Y23 WeakPolarHBondContact O-CB 3.42Å; L19-Y23 PolarHBondContact O-N 3.43Å; D20-Y23 PolarHBondContact O-N 3.42Å; Y23-T25 VanDerWaalsContact C-N 3.29Å; Y23-T25 PolarHBondContact O-N 3.19Å; Y23-Y26 PolarHBondContact O-N 3.11Å; Y23-G27 PolarHBondContact O-N 2.86Å |
| 24 | M | 54.7 | Low | 53.8 | Low | 84 Ų | 84 | 109 Ų | 109 | 41% | 0.414 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -60.8 | -36.2 | 178.3 | -70.6 | -67 | 174.5 | 0 | 0 | 112.7 | D20 Y26 G27 Y28 | D20-M24 WeakPolarHBondContact O-CB 3.46Å; D20-M24 VanDerWaalsContact O-CG 3.27Å; D20-M24 WeakPolarHBondContact O-CG 3.41Å; D20-M24 PolarHBondContact O-N 3.45Å; M24-Y26 PolarHBondContact O-N 2.84Å; M24-G27 PolarHBondContact O-N 3.38Å; M24-Y28 WeakPolarHBondContact O-CD2 3.25Å; M24-Y28 PolarHBondContact O-N 3.35Å; M24-Y28 HydrophobicContact SD-CD2 4.42Å; M24-Y28 HydrophobicContact SD-CE2 4.03Å |
| 25 | T | 54.4 | Low | 53.7 | Low | 98 Ų | 98 | 108.6 Ų | 108.6 | 60% | 0.601 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.1 | -39.7 | -178.2 | -63.5 | 0 | 0 | 0 | 0 | 112.3 | A21 Y23 | A21-T25 WeakPolarHBondContact O-CB 3.48Å; A21-T25 PolarHBondContact O-N 3Å; A21-T25 PolarHBondContact O-OG1 2.69Å; Y23-T25 VanDerWaalsContact C-N 3.29Å; Y23-T25 PolarHBondContact O-N 3.19Å |
| 26 | Y | 49.9 | Very low | 54.1 | Low | 206 Ų | 206 | 107.2 Ų | 107.2 | 81% | 0.808 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -72.7 | -34.2 | 175.9 | -88.1 | -86.6 | 0 | 0 | 0 | 112.9 | Y23 M24 | Y23-Y26 PolarHBondContact O-N 3.11Å; M24-Y26 PolarHBondContact O-N 2.84Å |
| 27 | G | 55 | Low | 54.2 | Low | 51 Ų | 51 | 105.2 Ų | 105.2 | 53% | 0.526 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.1 | -45.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | Y23 M24 | Y23-G27 PolarHBondContact O-N 2.86Å; M24-G27 PolarHBondContact O-N 3.38Å |
| 28 | Y | 46.4 | Very low | 54.1 | Low | 141 Ų | 141 | 105.7 Ų | 105.7 | 55% | 0.553 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -75.2 | -26.2 | -174.8 | -89.2 | -86.7 | 0 | 0 | 0 | 114.3 | M24 D30 Y31 F32 | M24-Y28 WeakPolarHBondContact O-CD2 3.25Å; M24-Y28 PolarHBondContact O-N 3.35Å; M24-Y28 HydrophobicContact SD-CD2 4.42Å; M24-Y28 HydrophobicContact SD-CE2 4.03Å; Y28-D30 VanDerWaalsContact C-N 3.29Å; Y28-D30 PolarHBondContact O-N 3.1Å; Y28-Y31 PolarHBondContact O-N 3.49Å; Y28-F32 HydrophobicContact CD1-CE2 4.28Å; Y28-F32 WeakPolarHBondContact O-CD2 3.4Å |
| 29 | A | 54.1 | Low | 54 | Low | 65 Ų | 65 | 103 Ų | 103 | 54% | 0.537 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.2 | -33.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 30 | D | 53.5 | Low | 53.8 | Low | 63 Ų | 63 | 99.8 Ų | 99.8 | 34% | 0.337 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -81.3 | -29.9 | 179.5 | -141.5 | -34.6 | 0 | 0 | 0 | 112.8 | Y28 F32 R33 H34 | Y28-D30 VanDerWaalsContact C-N 3.29Å; Y28-D30 PolarHBondContact O-N 3.1Å; D30-F32 PolarHBondContact O-N 2.98Å; D30-R33 PolarHBondContact O-N 3.39Å; D30-R33 IonicContact OD1-CZ 3.64Å; D30-R33 IonicContact OD1-NH1 3.56Å; D30-R33 PolarHBondContact OD1-NH1 3.49Å; D30-R33 IonicContact OD1-NH2 2.84Å; D30-R33 PolarHBondContact OD1-NH2 3.47Å; D30-R33 IonicContact OD2-CZ 3.07Å; D30-R33 IonicContact OD2-NH1 2.69Å; D30-R33 IonicContact OD2-NH2 3Å; D30-R33 PolarHBondContact OD2-NH2 2.99Å; D30-H34 WeakPolarHBondContact O-CB 3.32Å; D30-H34 PolarHBondContact O-N 3.16Å; D30-H34 PolarHBondContact O-ND1 2.99Å; D30-H34 VanDerWaalsContact O-ND1 3.11Å; D30-H34 IonicContact OD1-CE1 2.97Å; D30-H34 PolarHBondContact OD1-CE1 3.4Å; D30-H34 IonicContact OD1-ND1 2.69Å; D30-H34 PolarHBondContact OD1-ND1 3.39Å |
| 31 | Y | 50.6 | Low | 53.5 | Low | 149 Ų | 149 | 98.7 Ų | 98.7 | 58% | 0.584 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.7 | -40.3 | -175.5 | -155.8 | -100.8 | 0 | 0 | 0 | 112.5 | Y28 H34 Q35 | Y28-Y31 PolarHBondContact O-N 3.49Å; Y31-H34 PolarHBondContact O-N 2.96Å; Y31-Q35 HydrophobicContact CD1-CG 4.42Å; Y31-Q35 HydrophobicContact CE1-CG 4.43Å; Y31-Q35 WeakPolarHBondContact O-CG 3.39Å; Y31-Q35 PolarHBondContact O-N 3.03Å |
| 32 | F | 56.5 | Low | 53.3 | Low | 132 Ų | 132 | 104.2 Ų | 104.2 | 58% | 0.579 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.4 | -36.3 | 174.6 | -69.6 | -71.5 | 0 | 0 | 0 | 112.8 | Y28 D30 Q35 A36 | Y28-F32 HydrophobicContact CD1-CE2 4.28Å; Y28-F32 WeakPolarHBondContact O-CD2 3.4Å; D30-F32 PolarHBondContact O-N 2.98Å; F32-Q35 PolarHBondContact O-N 3.48Å; F32-A36 WeakPolarHBondContact O-CB 3.27Å; F32-A36 PolarHBondContact O-N 3.43Å |
| 33 | R | 55.8 | Low | 53 | Low | 146 Ų | 146 | 106.4 Ų | 106.4 | 55% | 0.551 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.2 | -37.4 | 175.3 | -178.6 | 160.6 | 45.5 | 60.9 | 1.6 | 111.3 | D30 A37 | D30-R33 PolarHBondContact O-N 3.39Å; D30-R33 IonicContact OD1-CZ 3.64Å; D30-R33 IonicContact OD1-NH1 3.56Å; D30-R33 PolarHBondContact OD1-NH1 3.49Å; D30-R33 IonicContact OD1-NH2 2.84Å; D30-R33 PolarHBondContact OD1-NH2 3.47Å; D30-R33 IonicContact OD2-CZ 3.07Å; D30-R33 IonicContact OD2-NH1 2.69Å; D30-R33 IonicContact OD2-NH2 3Å; D30-R33 PolarHBondContact OD2-NH2 2.99Å; R33-A37 PolarHBondContact O-N 3.38Å; R33-A37 VanDerWaalsContact O-N 3.1Å |
| 34 | H | 53.9 | Low | 52.7 | Low | 115 Ų | 115 | 105.1 Ų | 105.1 | 53% | 0.532 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.6 | -40.2 | 171.2 | -82.9 | 78.9 | 0 | 0 | 0 | 113 | D30 Y31 A37 A38 | D30-H34 WeakPolarHBondContact O-CB 3.32Å; D30-H34 PolarHBondContact O-N 3.16Å; D30-H34 PolarHBondContact O-ND1 2.99Å; D30-H34 VanDerWaalsContact O-ND1 3.11Å; D30-H34 IonicContact OD1-CE1 2.97Å; D30-H34 PolarHBondContact OD1-CE1 3.4Å; D30-H34 IonicContact OD1-ND1 2.69Å; D30-H34 PolarHBondContact OD1-ND1 3.39Å; Y31-H34 PolarHBondContact O-N 2.96Å; H34-A37 PolarHBondContact O-N 3.37Å; H34-A38 VanDerWaalsContact O-CB 3.27Å; H34-A38 WeakPolarHBondContact O-CB 3.44Å; H34-A38 PolarHBondContact O-N 3.25Å |
| 35 | Q | 57.7 | Low | 51.8 | Low | 88 Ų | 88 | 107.7 Ų | 107.7 | 41% | 0.411 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.3 | -41 | 174.3 | -78.6 | -171 | -15.1 | 0 | 0 | 112.3 | Y31 F32 A38 Q39 | Y31-Q35 HydrophobicContact CD1-CG 4.42Å; Y31-Q35 HydrophobicContact CE1-CG 4.43Å; Y31-Q35 WeakPolarHBondContact O-CG 3.39Å; Y31-Q35 PolarHBondContact O-N 3.03Å; F32-Q35 PolarHBondContact O-N 3.48Å; Q35-A38 PolarHBondContact O-N 3.43Å; Q35-Q39 WeakPolarHBondContact O-CB 3.49Å; Q35-Q39 WeakPolarHBondContact O-CG 3.46Å; Q35-Q39 PolarHBondContact O-N 3.33Å |
| 36 | A | 56.2 | Low | 51.5 | Low | 64 Ų | 64 | 108.8 Ų | 108.8 | 53% | 0.529 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.8 | -44.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F32 A40 | F32-A36 WeakPolarHBondContact O-CB 3.27Å; F32-A36 PolarHBondContact O-N 3.43Å; A36-A40 WeakPolarHBondContact O-CB 3.45Å; A36-A40 PolarHBondContact O-N 3.28Å |
| 37 | A | 56.3 | Low | 51.5 | Low | 62 Ų | 62 | 103.5 Ų | 103.5 | 51% | 0.512 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.1 | -41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R33 H34 A40 A41 | R33-A37 PolarHBondContact O-N 3.38Å; R33-A37 VanDerWaalsContact O-N 3.1Å; H34-A37 PolarHBondContact O-N 3.37Å; A37-A40 PolarHBondContact O-N 3.31Å; A37-A41 PolarHBondContact O-N 2.95Å |
| 38 | A | 54.8 | Low | 51.2 | Low | 56 Ų | 56 | 108.2 Ų | 108.2 | 46% | 0.463 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.3 | -37.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | H34 Q35 A41 Q42 | H34-A38 VanDerWaalsContact O-CB 3.27Å; H34-A38 WeakPolarHBondContact O-CB 3.44Å; H34-A38 PolarHBondContact O-N 3.25Å; Q35-A38 PolarHBondContact O-N 3.43Å; A38-A41 PolarHBondContact O-N 3.35Å; A38-Q42 WeakPolarHBondContact O-CG 3.4Å; A38-Q42 PolarHBondContact O-N 3.05Å |
| 39 | Q | 52.8 | Low | 51.1 | Low | 137 Ų | 137 | 105.9 Ų | 105.9 | 64% | 0.64 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.2 | -37.3 | 173.2 | -71.7 | -169.5 | 7.1 | 0 | 0 | 112.1 | Q35 A41 Q42 V43 | Q35-Q39 WeakPolarHBondContact O-CB 3.49Å; Q35-Q39 WeakPolarHBondContact O-CG 3.46Å; Q35-Q39 PolarHBondContact O-N 3.33Å; Q39-A41 VanDerWaalsContact C-N 3.28Å; Q39-A41 PolarHBondContact O-N 2.9Å; Q39-Q42 PolarHBondContact O-N 3.01Å; Q39-Q42 VanDerWaalsContact O-N 3.16Å; Q39-V43 WeakPolarHBondContact O-CG2 3.4Å; Q39-V43 PolarHBondContact O-N 2.98Å |
| 40 | A | 52.2 | Low | 51 | Low | 59 Ų | 59 | 112.6 Ų | 112.6 | 49% | 0.488 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -58.9 | -40.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A36 A37 V43 | A36-A40 WeakPolarHBondContact O-CB 3.45Å; A36-A40 PolarHBondContact O-N 3.28Å; A37-A40 PolarHBondContact O-N 3.31Å; A40-V43 PolarHBondContact O-N 2.89Å |
| 41 | A | 50.1 | Low | 50.5 | Low | 70 Ų | 70 | 114.6 Ų | 114.6 | 58% | 0.579 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.1 | -34.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A37 A38 Q39 H44 | A37-A41 PolarHBondContact O-N 2.95Å; A38-A41 PolarHBondContact O-N 3.35Å; Q39-A41 VanDerWaalsContact C-N 3.28Å; Q39-A41 PolarHBondContact O-N 2.9Å; A41-H44 PolarHBondContact O-N 3.08Å |
| 42 | Q | 48.6 | Very low | 50.1 | Low | 167 Ų | 167 | 112.7 Ų | 112.7 | 78% | 0.78 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -72.3 | -26.6 | 176.5 | -79 | -92.6 | -87 | 0 | 0 | 113.8 | A38 Q39 | A38-Q42 WeakPolarHBondContact O-CG 3.4Å; A38-Q42 PolarHBondContact O-N 3.05Å; Q39-Q42 PolarHBondContact O-N 3.01Å; Q39-Q42 VanDerWaalsContact O-N 3.16Å |
| 43 | V | 49.2 | Very low | 49.8 | Very low | 98 Ų | 98 | 112 Ų | 112 | 59% | 0.594 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -82.6 | -12.5 | 176.8 | 176.5 | 0 | 0 | 0 | 0 | 112.3 | Q39 A40 H45 | Q39-V43 WeakPolarHBondContact O-CG2 3.4Å; Q39-V43 PolarHBondContact O-N 2.98Å; A40-V43 PolarHBondContact O-N 2.89Å; V43-H45 PolarHBondContact O-CD2 2.99Å; V43-H45 PolarHBondContact O-CE1 3.4Å; V43-H45 PolarHBondContact O-N 3.49Å; V43-H45 PolarHBondContact O-NE2 2.74Å |
| 44 | H | 43.4 | Very low | 49 | Very low | 157 Ų | 157 | 109.7 Ų | 109.7 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | | | trans | -76.6 | 83.9 | 170.8 | -95.6 | -91.1 | 0 | 0 | 0 | 112.3 | A41 P46 | A41-H44 PolarHBondContact O-N 3.08Å; H44-P46 WeakPolarHBondContact O-CD 3.42Å |
| 45 | H | 36.8 | Very low | 48.7 | Very low | 138 Ų | 138 | 110 Ų | 110 | 64% | 0.639 | 69% | 0.685 | S | S | * | * | | | trans | -56.9 | 125.8 | 173.4 | -38.8 | -64.8 | 0 | 0 | 0 | 111.2 | V43 A47 | V43-H45 PolarHBondContact O-CD2 2.99Å; V43-H45 PolarHBondContact O-CE1 3.4Å; V43-H45 PolarHBondContact O-N 3.49Å; V43-H45 PolarHBondContact O-NE2 2.74Å; H45-A47 PolarHBondContact O-N 3.06Å |
| 46 | P | 48.3 | Very low | 47.8 | Very low | 120 Ų | 120 | 112.1 Ų | 112.1 | 78% | 0.779 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -63.3 | -9.7 | 179.3 | -26.1 | 35.8 | 0 | 0 | 0 | 115.5 | H44 L48 A49 | H44-P46 WeakPolarHBondContact O-CD 3.42Å; P46-L48 PolarHBondContact O-N 2.95Å; P46-L48 VanDerWaalsContact O-N 3.17Å; P46-A49 PolarHBondContact O-N 2.85Å |
| 47 | A | 48.5 | Very low | 47 | Very low | 95 Ų | 95 | 114 Ų | 114 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -66.7 | -12.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | H45 | H45-A47 PolarHBondContact O-N 3.06Š|
| 48 | L | 50.2 | Low | 46.7 | Very low | 150 Ų | 150 | 116.5 Ų | 116.5 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -107.3 | 1.3 | 179.6 | -71.4 | 171.7 | 0 | 0 | 0 | 114.2 | P46 K50 | P46-L48 PolarHBondContact O-N 2.95Å; P46-L48 VanDerWaalsContact O-N 3.17Å; L48-K50 PolarHBondContact O-N 3.18Å |
| 49 | A | 44.7 | Very low | 46.2 | Very low | 93 Ų | 93 | 120.6 Ų | 120.6 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 34.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P46 | P46-A49 PolarHBondContact O-N 2.85Š|
| 50 | K | 51 | Low | 45.8 | Very low | 206 Ų | 206 | 119.4 Ų | 119.4 | 90% | 0.896 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.8 | 17.8 | 179.4 | -159.7 | 149 | -176.9 | 172.5 | 0 | 115.1 | L48 | L48-K50 PolarHBondContact O-N 3.18Š|
| 51 | S | 43.6 | Very low | 45.1 | Very low | 105 Ų | 105 | 123.5 Ų | 123.5 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -147.2 | 138.9 | 145 | 51.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 52 | S | 42.3 | Very low | 45.6 | Very low | 109 Ų | 109 | 124.9 Ų | 124.9 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | | | cis | -142.9 | 117.3 | 9.6 | 38.9 | 0 | 0 | 0 | 0 | 111.7 | S54 | S52-S54 PolarHBondContact O-N 3.17Š|
| 53 | A | 50.1 | Low | 44.9 | Very low | 116 Ų | 116 | 123 Ų | 123 | 96% | 0.959 | 76% | 0.763 | S | S | * | * | | | trans | -82.1 | 95.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 54 | S | 38.3 | Very low | 44.8 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | | | trans | -148.2 | 106.5 | 171.3 | -167.3 | 0 | 0 | 0 | 0 | 111 | S52 | S52-S54 PolarHBondContact O-N 3.17Š|
| 55 | S | 47.3 | Very low | 44.7 | Very low | 122 Ų | 122 | 121.8 Ų | 121.8 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | | | trans | -94.8 | 100.1 | 177.6 | 53.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 56 | V | 39.5 | Very low | 44.8 | Very low | 132 Ų | 132 | 120.6 Ų | 120.6 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | | | trans | -138.2 | 144 | 169.7 | -171.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 57 | S | 39 | Very low | 44.4 | Very low | 103 Ų | 103 | 120.2 Ų | 120.2 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | | | trans | -95.1 | -167.6 | 179.2 | -164.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 58 | P | 50.1 | Low | 44.1 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | | | | -93.3 | 175.8 | -79.1 | 37 | -31.2 | 0 | 0 | 0 | 113.6 | | |
| 59 | N | 44.3 | Very low | 43.6 | Very low | 142 Ų | 142 | 118.4 Ų | 118.4 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | | | trans | -42.7 | 134.7 | 175.4 | 176.5 | 51.2 | 0 | 0 | 0 | 115.2 | N61 | N59-N61 PolarHBondContact OD1-N 2.89Š|
| 60 | P | 44.4 | Very low | 43.3 | Very low | 113 Ų | 113 | 119.3 Ų | 119.3 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | | -148.7 | 106.7 | 107.2 | 35.7 | -16.9 | 0 | 0 | 0 | 117.1 | | |
| 61 | N | 37.6 | Very low | 42.5 | Very low | 144 Ų | 144 | 113.9 Ų | 113.9 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | trans | 64.8 | -165 | 146.9 | -143.2 | 15.2 | 0 | 0 | 0 | 117.1 | N59 | N59-N61 PolarHBondContact OD1-N 2.89Š|
| 62 | P | 61 | Low | 42.1 | Very low | 99 Ų | 99 | 115.3 Ų | 115.3 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | | | | -125.6 | 164.7 | -118.8 | 41.1 | -23.7 | 0 | 0 | 0 | 116.7 | | |
| 63 | S | 33.9 | Very low | 42.1 | Very low | 127 Ų | 127 | 118.5 Ų | 118.5 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | | | trans | -171.1 | 166 | 149.1 | -90.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 64 | V | 46.8 | Very low | 42.1 | Very low | 136 Ų | 136 | 118.5 Ų | 118.5 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | | | trans | -116.1 | 138.3 | -174.5 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 65 | A | 40.3 | Very low | 42.2 | Very low | 95 Ų | 95 | 118.4 Ų | 118.4 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | trans | -161.1 | 128.9 | 153.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 66 | T | 40.2 | Very low | 41.4 | Very low | 112 Ų | 112 | 121.6 Ų | 121.6 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | | | cis | 99.9 | 129.4 | 23.3 | -53 | 0 | 0 | 0 | 0 | 113.6 | | |
| 67 | S | 40.3 | Very low | 41.2 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | | | trans | 69.8 | 153.6 | 172 | -63 | 0 | 0 | 0 | 0 | 117.6 | | |
| 68 | S | 41.5 | Very low | 41.6 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | | | cis | -165.9 | -174.2 | -19.6 | 53.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 69 | S | 40.2 | Very low | 41.1 | Very low | 100 Ų | 100 | 128.3 Ų | 128.3 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | | | cis | -159.9 | 179.4 | 19.5 | -31.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 70 | S | 36.8 | Very low | 41.3 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | trans | -37.3 | 158.7 | 155.3 | 46.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 71 | A | 35.6 | Very low | 41.5 | Very low | 91 Ų | 91 | 127.3 Ų | 127.3 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | cis | -161.2 | -156.5 | -4.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 72 | V | 34.5 | Very low | 41.3 | Very low | 136 Ų | 136 | 124.9 Ų | 124.9 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | | | cis | -153.4 | 163.6 | 21.8 | 177.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 73 | Q | 42.5 | Very low | 40.1 | Very low | 176 Ų | 176 | 125 Ų | 125 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | -125.2 | 158.9 | 169.8 | -85.8 | -164 | -18.2 | 0 | 0 | 112.7 | | |
| 74 | P | 49.8 | Very low | 40.4 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | | | | -143 | 171.2 | 114.8 | 32 | -15 | 0 | 0 | 0 | 113.2 | | |
| 75 | S | 39.4 | Very low | 39.9 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | | | cis | -171.3 | 137.6 | -23.1 | -90 | 0 | 0 | 0 | 0 | 109 | | |
| 76 | E | 31.9 | Very low | 40 | Very low | 190 Ų | 190 | 124.9 Ų | 124.9 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | | | trans | -157.8 | 141.4 | 155.9 | -155.8 | 80.4 | -109.9 | 0 | 0 | 108.2 | | |
| 77 | Y | 34.7 | Very low | 40 | Very low | 206 Ų | 206 | 124.7 Ų | 124.7 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | | | trans | -122.6 | 168.1 | -177.6 | -101.9 | -109.6 | 0 | 0 | 0 | 108.8 | | |
| 78 | P | 46.6 | Very low | 39.9 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | | | cis | -141.5 | 173.7 | 25.4 | 41.9 | -22.9 | 0 | 0 | 0 | 118.4 | | |
| 79 | H | 39.8 | Very low | 39.8 | Very low | 176 Ų | 176 | 122.5 Ų | 122.5 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | | | trans | -115.4 | 160 | 151.3 | -58.8 | -72.1 | 0 | 0 | 0 | 108.8 | | |
| 80 | P | 49.1 | Very low | 39.9 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | | | | -141.1 | 174.7 | 88.9 | 38.7 | -24.5 | 0 | 0 | 0 | 114.1 | | |
| 81 | A | 48.3 | Very low | 40.8 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | | | trans | -106.6 | 151 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 82 | A | 35 | Very low | 41.3 | Very low | 93 Ų | 93 | 126.4 Ų | 126.4 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -140.6 | 119.4 | 161 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 83 | A | 35.2 | Very low | 42.3 | Very low | 101 Ų | 101 | 125 Ų | 125 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | | | | 87.3 | 131.9 | 59.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 84 | V | 40.3 | Very low | 42.6 | Very low | 150 Ų | 150 | 125 Ų | 125 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | | | trans | -90.1 | 140.2 | -166.2 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 85 | A | 34.8 | Very low | 43.1 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -135.9 | 141.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 86 | A | 44.3 | Very low | 44 | Very low | 106 Ų | 106 | 128.9 Ų | 128.9 | 88% | 0.876 | 82% | 0.824 | S | S | * | * | | | trans | -95.3 | 149.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 87 | A | 38.4 | Very low | 45.2 | Very low | 108 Ų | 108 | 125.2 Ų | 125.2 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | | | trans | -130.7 | 137.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 88 | A | 38.7 | Very low | 46.2 | Very low | 105 Ų | 105 | 120.9 Ų | 120.9 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | | | trans | -109 | 135.3 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 89 | G | 39.9 | Very low | 46.2 | Very low | 69 Ų | 69 | 122.3 Ų | 122.3 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | | | trans | 73 | 117.7 | 152.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 90 | Q | 43.2 | Very low | 46.9 | Very low | 187 Ų | 187 | 117.6 Ų | 117.6 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | | | | -176.7 | 145.3 | 120.9 | -90.9 | -49 | -45.4 | 0 | 0 | 108.7 | | |
| 91 | P | 55.5 | Low | 46.8 | Very low | 113 Ų | 113 | 116.4 Ų | 116.4 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | | | trans | -104.3 | 119.5 | -179.4 | 35.3 | -25.7 | 0 | 0 | 0 | 113.1 | | |
| 92 | A | 46 | Very low | 47.3 | Very low | 85 Ų | 85 | 115.6 Ų | 115.6 | 70% | 0.702 | 82% | 0.819 | S | S | * | * | | | trans | -156.1 | 103.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | M94 | A92-M94 PolarHBondContact O-N 3.08Š|
| 93 | A | 55 | Low | 47.9 | Very low | 108 Ų | 108 | 117.2 Ų | 117.2 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | | | trans | -80 | 57.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | M95 | A93-M95 PolarHBondContact O-N 2.88Š|
| 94 | M | 48 | Very low | 48.5 | Very low | 175 Ų | 175 | 117.3 Ų | 117.3 | 86% | 0.862 | 82% | 0.823 | S | S | * | * | | | trans | -84.8 | 90.7 | 173.6 | -77.9 | -175.1 | 160.4 | 0 | 0 | 110 | A92 | A92-M94 PolarHBondContact O-N 3.08Š|
| 95 | M | 61.3 | Low | 48.8 | Very low | 168 Ų | 168 | 115.8 Ų | 115.8 | 83% | 0.828 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 138.1 | 167.4 | -70.7 | -168.3 | 70.2 | 0 | 0 | 110.3 | A93 S97 | A93-M95 PolarHBondContact O-N 2.88Å; M95-S97 PolarHBondContact O-N 2.94Å |
| 96 | P | 58.5 | Low | 49.4 | Very low | 125 Ų | 125 | 116.9 Ų | 116.9 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 116.4 | 175.1 | 28.6 | -33.1 | 0 | 0 | 0 | 110.4 | | |
| 97 | S | 55.9 | Low | 49.7 | Very low | 113 Ų | 113 | 122 Ų | 122 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 134 | 172.7 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | M95 | M95-S97 PolarHBondContact O-N 2.94Š|
| 98 | P | 55.7 | Low | 50.2 | Low | 116 Ų | 116 | 121.4 Ų | 121.4 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70 | 142.5 | 176 | 29.1 | -34.3 | 0 | 0 | 0 | 111.2 | | |
| 99 | P | 48.3 | Very low | 51.2 | Low | 136 Ų | 136 | 123.3 Ų | 123.3 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -75.3 | 130.8 | 178.3 | 30.2 | -33.7 | 0 | 0 | 0 | 111.2 | | |
| 100 | G | 53.9 | Low | 52.1 | Low | 78 Ų | 78 | 125.2 Ų | 125.2 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | 129.3 | 38.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | A102 | G100-A102 PolarHBondContact O-N 3.4Š|
| 101 | A | 46.8 | Very low | 52.8 | Low | 107 Ų | 107 | 124.3 Ų | 124.3 | 88% | 0.884 | 80% | 0.796 | S | S | * | * | | | trans | -84.8 | 95.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 102 | A | 57.8 | Low | 52.9 | Low | 86 Ų | 86 | 127.4 Ų | 127.4 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 150.4 | 168 | 0 | 0 | 0 | 0 | 0 | 110.9 | G100 A104 | G100-A102 PolarHBondContact O-N 3.4Å; A102-A104 PolarHBondContact O-N 3.31Å |
| 103 | P | 47.7 | Very low | 53.7 | Low | 126 Ų | 126 | 128.1 Ų | 128.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 133.9 | -177.2 | 26.6 | -34.5 | 0 | 0 | 0 | 111.9 | | |
| 104 | A | 49 | Very low | 53.8 | Low | 104 Ų | 104 | 131 Ų | 131 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -69 | 132 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A102 | A102-A104 PolarHBondContact O-N 3.31Š|
| 105 | T | 46.8 | Very low | 53.9 | Low | 117 Ų | 117 | 128.9 Ų | 128.9 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 152 | 169.8 | 49.6 | 0 | 0 | 0 | 0 | 110.6 | Y107 | T105-Y107 PolarHBondContact O-N 3.38Š|
| 106 | P | 47.5 | Very low | 53.5 | Low | 122 Ų | 122 | 128.3 Ų | 128.3 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -77.1 | 11.3 | -160.5 | 30.1 | -37.5 | 0 | 0 | 0 | 116.5 | | |
| 107 | Y | 50.3 | Low | 53.4 | Low | 214 Ų | 214 | 128.6 Ų | 128.6 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | | | trans | -103.5 | 64.2 | 179.7 | -76.5 | -82.4 | 0 | 0 | 0 | 111.7 | T105 I109 | T105-Y107 PolarHBondContact O-N 3.38Å; Y107-I109 PolarHBondContact O-N 3.14Å |
| 108 | A | 48.2 | Very low | 53.1 | Low | 96 Ų | 96 | 126.3 Ų | 126.3 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | | | trans | -75.5 | 107.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 109 | I | 60 | Low | 52.8 | Low | 145 Ų | 145 | 124.4 Ų | 124.4 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | | | trans | -69.8 | 138.4 | 166.9 | -61.2 | 176.6 | 0 | 0 | 0 | 108.4 | Y107 Q111 | Y107-I109 PolarHBondContact O-N 3.14Å; I109-Q111 PolarHBondContact O-N 2.98Å |
| 110 | P | 58.3 | Low | 52.8 | Low | 109 Ų | 109 | 121.6 Ų | 121.6 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | | | trans | -56.4 | 111.2 | 177.5 | -26.9 | 35.9 | 0 | 0 | 0 | 112.1 | F112 | P110-F112 PolarHBondContact O-N 3.33Š|
| 111 | Q | 58.8 | Low | 52.6 | Low | 167 Ų | 167 | 121.2 Ų | 121.2 | 78% | 0.78 | 73% | 0.734 | S | S | * | * | | | trans | -91.9 | 102.8 | -167.8 | -160.3 | 158.3 | -19.7 | 0 | 0 | 110.2 | I109 | I109-Q111 PolarHBondContact O-N 2.98Š|
| 112 | F | 57.4 | Low | 52.7 | Low | 178 Ų | 178 | 119.8 Ų | 119.8 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | | | trans | -63.5 | 147 | 176.7 | -77.9 | -88.5 | 0 | 0 | 0 | 111.4 | P110 F114 | P110-F112 PolarHBondContact O-N 3.33Å; F112-F114 PolarHBondContact O-N 3.12Å |
| 113 | P | 63.5 | Low | 52.4 | Low | 101 Ų | 101 | 120 Ų | 120 | 66% | 0.656 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -77.9 | 22.8 | -160 | 31.7 | -38.2 | 0 | 0 | 0 | 115.9 | | |
| 114 | F | 55.3 | Low | 52.4 | Low | 167 Ų | 167 | 123 Ų | 123 | 73% | 0.732 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -135 | 148 | -178.7 | -60.2 | -69.2 | 0 | 0 | 0 | 112 | F112 | F112-F114 PolarHBondContact O-N 3.12Š|
| 115 | N | 49.9 | Very low | 52.2 | Low | 131 Ų | 131 | 122 Ų | 122 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | | | trans | 83.1 | 50.2 | 169.2 | -51.2 | -34.3 | 0 | 0 | 0 | 119.2 | V117 | N115-V117 PolarHBondContact O-N 3.27Š|
| 116 | H | 54.1 | Low | 52.4 | Low | 156 Ų | 156 | 120.9 Ų | 120.9 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -61 | -20.3 | 162.5 | -61.5 | -68.2 | 0 | 0 | 0 | 114.1 | | |
| 117 | V | 56.2 | Low | 52.6 | Low | 131 Ų | 131 | 119.9 Ų | 119.9 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -74.7 | -30.5 | -175.6 | -176.2 | 0 | 0 | 0 | 0 | 112.9 | N115 | N115-V117 PolarHBondContact O-N 3.27Å |
| 118 | A | 49.3 | Very low | 52.7 | Low | 65 Ų | 65 | 115.7 Ų | 115.7 | 54% | 0.537 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -73 | -34.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A120 A121 | A118-A120 VanDerWaalsContact C-N 3.32Å; A118-A120 PolarHBondContact O-N 3.25Å; A118-A121 PolarHBondContact O-N 2.94Å |
| 119 | A | 49.7 | Very low | 52.8 | Low | 77 Ų | 77 | 118.9 Ų | 118.9 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -63.8 | -35 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | A121 | A119-A121 VanDerWaalsContact C-N 3.33Å; A119-A121 PolarHBondContact O-N 3.26Å |
| 120 | A | 48.3 | Very low | 52.3 | Low | 77 Ų | 77 | 115.6 Ų | 115.6 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -71.1 | -26.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A118 | A118-A120 VanDerWaalsContact C-N 3.32Å; A118-A120 PolarHBondContact O-N 3.25Å |
| 121 | A | 49.3 | Very low | 51.6 | Low | 69 Ų | 69 | 120.1 Ų | 120.1 | 57% | 0.57 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -74.7 | -35.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A118 A119 A123 K124 | A118-A121 PolarHBondContact O-N 2.94Å; A119-A121 VanDerWaalsContact C-N 3.33Å; A119-A121 PolarHBondContact O-N 3.26Å; A121-A123 PolarHBondContact O-N 2.88Å; A121-K124 PolarHBondContact O-N 3.11Å; A121-K124 VanDerWaalsContact O-N 3.12Å |
| 122 | A | 49.8 | Very low | 51.5 | Low | 78 Ų | 78 | 119 Ų | 119 | 65% | 0.645 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -59.3 | -33.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K124 | A122-K124 PolarHBondContact O-N 2.95Å |
| 123 | A | 50.8 | Low | 51.6 | Low | 90 Ų | 90 | 115.2 Ų | 115.2 | 74% | 0.744 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -11.4 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | A121 | A121-A123 PolarHBondContact O-N 2.88Š|
| 124 | K | 47.3 | Very low | 50.9 | Low | 190 Ų | 190 | 120.7 Ų | 120.7 | 83% | 0.826 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | 7.6 | -174.2 | -145.5 | -179.7 | -177.4 | -179 | 0 | 114.5 | A121 A122 | A121-K124 PolarHBondContact O-N 3.11Å; A121-K124 VanDerWaalsContact O-N 3.12Å; A122-K124 PolarHBondContact O-N 2.95Å |
| 125 | A | 46.2 | Very low | 50.9 | Low | 81 Ų | 81 | 117.8 Ų | 117.8 | 67% | 0.669 | 70% | 0.699 | S | S | * | * | | | trans | -96.9 | 10.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | T127 | A125-T127 VanDerWaalsContact C-N 3.28Å; A125-T127 PolarHBondContact O-N 2.83Å |
| 126 | A | 51 | Low | 51 | Low | 95 Ų | 95 | 120.9 Ų | 120.9 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | | | trans | -82.8 | 55.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 127 | T | 51.3 | Low | 51.1 | Low | 101 Ų | 101 | 117.1 Ų | 117.1 | 62% | 0.62 | 70% | 0.703 | S | S | * | * | | | trans | -142.9 | 101.8 | 175.3 | 4.4 | 0 | 0 | 0 | 0 | 111.8 | A125 H129 | A125-T127 VanDerWaalsContact C-N 3.28Å; A125-T127 PolarHBondContact O-N 2.83Å; T127-H129 PolarHBondContact O-N 3.01Å |
| 128 | P | 52.8 | Low | 50.9 | Low | 126 Ų | 126 | 114.5 Ų | 114.5 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | | | trans | -84.9 | 90.7 | -178.9 | 33.3 | -33.4 | 0 | 0 | 0 | 111.5 | | |
| 129 | H | 49.3 | Very low | 51.1 | Low | 163 Ų | 163 | 116.3 Ų | 116.3 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | | | trans | -109.7 | 115.4 | 167.2 | -72.4 | -59.8 | 0 | 0 | 0 | 110.8 | T127 F131 | T127-H129 PolarHBondContact O-N 3.01Å; H129-F131 PolarHBondContact O-N 3.38Å |
| 130 | A | 48.8 | Very low | 51.1 | Low | 75 Ų | 75 | 116 Ų | 116 | 62% | 0.62 | 71% | 0.707 | S | S | * | * | | | trans | -68.3 | 126.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | H132 | A130-H132 PolarHBondContact O-CD2 3.27Å; A130-H132 PolarHBondContact O-N 3.23Å |
| 131 | F | 44.6 | Very low | 51.2 | Low | 204 Ų | 204 | 115.1 Ų | 115.1 | 90% | 0.895 | 71% | 0.706 | S | S | * | * | | | trans | -72.4 | 105.9 | 167.8 | -103.1 | -105.4 | 0 | 0 | 0 | 109.7 | H129 P133 | H129-F131 PolarHBondContact O-N 3.38Å; F131-P133 WeakPolarHBondContact O-CD 3.21Å |
| 132 | H | 57.4 | Low | 51.3 | Low | 145 Ų | 145 | 120.2 Ų | 120.2 | 67% | 0.671 | 72% | 0.723 | S | S | * | * | | | trans | -95.3 | 109.8 | 168.7 | -67.7 | -83.8 | 0 | 0 | 0 | 109.2 | A130 Y134 | A130-H132 PolarHBondContact O-CD2 3.27Å; A130-H132 PolarHBondContact O-N 3.23Å; H132-Y134 PolarHBondContact O-N 2.96Å; H132-Y134 VanDerWaalsContact O-N 3.12Å |
| 133 | P | 58.9 | Low | 51.4 | Low | 97 Ų | 97 | 128.2 Ų | 128.2 | 63% | 0.63 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -73.5 | -2.3 | -171.5 | 28.5 | -35.4 | 0 | 0 | 0 | 115.1 | F131 | F131-P133 WeakPolarHBondContact O-CD 3.21Š|
| 134 | Y | 49.1 | Very low | 51.3 | Low | 216 Ų | 216 | 128 Ų | 128 | 85% | 0.847 | 73% | 0.734 | S | S | * | * | | | trans | -123.2 | 71.1 | -176.7 | -60.2 | -66.5 | 0 | 0 | 0 | 111.9 | H132 | H132-Y134 PolarHBondContact O-N 2.96Å; H132-Y134 VanDerWaalsContact O-N 3.12Å |
| 135 | N | 55.1 | Low | 51.4 | Low | 106 Ų | 106 | 130.1 Ų | 130.1 | 57% | 0.567 | 74% | 0.737 | S | S | * | * | | | trans | -143.5 | 48.1 | 172.1 | -153.9 | -5.6 | 0 | 0 | 0 | 115.1 | A137 A138 | N135-A137 PolarHBondContact O-N 2.94Å; N135-A138 WeakPolarHBondContact OD1-CB 3.16Å; N135-A138 PolarHBondContact OD1-N 3.05Å |
| 136 | F | 52.6 | Low | 51.7 | Low | 197 Ų | 197 | 134.4 Ų | 134.4 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -72.3 | -9.2 | 168.2 | -71.3 | -80.4 | 0 | 0 | 0 | 113.5 | | |
| 137 | A | 54.3 | Low | 51.3 | Low | 76 Ų | 76 | 134.2 Ų | 134.2 | 63% | 0.628 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -79.3 | -33.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N135 A139 A140 | N135-A137 PolarHBondContact O-N 2.94Å; A137-A139 VanDerWaalsContact C-N 3.28Å; A137-A139 PolarHBondContact O-N 3.29Å; A137-A140 PolarHBondContact O-N 3.21Å |
| 138 | A | 53.5 | Low | 50.9 | Low | 76 Ų | 76 | 134 Ų | 134 | 63% | 0.628 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -27.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | N135 | N135-A138 WeakPolarHBondContact OD1-CB 3.16Å; N135-A138 PolarHBondContact OD1-N 3.05Å |
| 139 | A | 52 | Low | 50.8 | Low | 103 Ų | 103 | 135.8 Ų | 135.8 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -17.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A137 | A137-A139 VanDerWaalsContact C-N 3.28Å; A137-A139 PolarHBondContact O-N 3.29Å |
| 140 | A | 50.4 | Low | 50.5 | Low | 71 Ų | 71 | 135.5 Ų | 135.5 | 59% | 0.587 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -14.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A137 L142 | A137-A140 PolarHBondContact O-N 3.21Å; A140-L142 VanDerWaalsContact C-N 3.26Å; A140-L142 PolarHBondContact O-N 3.48Å |
| 141 | G | 49.9 | Very low | 50 | Low | 59 Ų | 59 | 139.6 Ų | 139.6 | 61% | 0.608 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -11.1 | -165.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 142 | L | 52.1 | Low | 50.2 | Low | 176 Ų | 176 | 139.1 Ų | 139.1 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -2.3 | -169.9 | -142.8 | 77.5 | 0 | 0 | 0 | 115.6 | A140 | A140-L142 VanDerWaalsContact C-N 3.26Å; A140-L142 PolarHBondContact O-N 3.48Å |
| 143 | R | 52.7 | Low | 49.4 | Very low | 246 Ų | 246 | 137.6 Ų | 137.6 | 93% | 0.928 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -120.9 | -4 | -176.5 | -69.7 | -169.3 | 175.9 | 102.6 | -1.2 | 115.9 | | |
| 144 | A | 46.8 | Very low | 48.5 | Very low | 84 Ų | 84 | 140.7 Ų | 140.7 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | | | trans | -111.7 | 37.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 145 | R | 50.2 | Low | 48.2 | Very low | 235 Ų | 235 | 135.3 Ų | 135.3 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | | | trans | -104.9 | 75.1 | 166.6 | -77.2 | -165.1 | 172.1 | -147.4 | -2.6 | 110.7 | | |
| 146 | N | 51.8 | Low | 48 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 92% | 0.92 | 77% | 0.774 | S | S | * | * | | | trans | 176.5 | 59.6 | 152.1 | -89.3 | -17.6 | 0 | 0 | 0 | 111.7 | | |
| 147 | A | 44.5 | Very low | 47.8 | Very low | 90 Ų | 90 | 134.8 Ų | 134.8 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | | | trans | -138.8 | 94.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 104.8 | | |
| 148 | A | 41.2 | Very low | 47.7 | Very low | 97 Ų | 97 | 137.9 Ų | 137.9 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | | | | 77.9 | 130.5 | 89 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 149 | L | 51.3 | Low | 47.5 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | -59.1 | 147.2 | -178.5 | -64.5 | 70 | 0 | 0 | 0 | 110.1 | | |
| 150 | H | 42.9 | Very low | 47.3 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 73% | 0.731 | 78% | 0.784 | S | S | * | * | | | | -170.1 | 149.4 | 124.8 | -113.9 | -118.7 | 0 | 0 | 0 | 111.7 | | |
| 151 | H | 39.6 | Very low | 47.2 | Very low | 161 Ų | 161 | 141 Ų | 141 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | | | trans | 52.9 | 111.5 | 168.5 | -61 | -61.1 | 0 | 0 | 0 | 120.6 | | |
| 152 | Q | 47.4 | Very low | 47.3 | Very low | 194 Ų | 194 | 143.2 Ų | 143.2 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | | | trans | -64.7 | 142.7 | 144 | -61.2 | 167.7 | -29.7 | 0 | 0 | 110 | | |
| 153 | S | 40.5 | Very low | 47.1 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | | | trans | -158.7 | 146.3 | 152.5 | 49 | 0 | 0 | 0 | 0 | 110.9 | | |
| 154 | E | 40.4 | Very low | 47.3 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | | | trans | -73.4 | 150 | -170.4 | -67.9 | -68.5 | 116.4 | 0 | 0 | 113.9 | V156 | E154-V156 PolarHBondContact O-N 3.35Š|
| 155 | P | 43.6 | Very low | 47.5 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | | | trans | -74.8 | 85.2 | 169.6 | 32.5 | -34.1 | 0 | 0 | 0 | 110.9 | H157 | P155-H157 PolarHBondContact O-CD2 3.44Å; P155-H157 PolarHBondContact O-N 3.28Å; P155-H157 VanDerWaalsContact O-N 3.16Å |
| 156 | V | 49.9 | Very low | 46.9 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | | | trans | -65 | 115.4 | 178 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | E154 V158 | E154-V156 PolarHBondContact O-N 3.35Å; V156-V158 PolarHBondContact O-N 3.16Å |
| 157 | H | 47.7 | Very low | 46.3 | Very low | 170 Ų | 170 | 132 Ų | 132 | 79% | 0.787 | 78% | 0.779 | S | S | * | * | | | trans | -66.4 | 102 | 179 | -73.2 | -108.1 | 0 | 0 | 0 | 111.7 | P155 S159 | P155-H157 PolarHBondContact O-CD2 3.44Å; P155-H157 PolarHBondContact O-N 3.28Å; P155-H157 VanDerWaalsContact O-N 3.16Å; H157-S159 VanDerWaalsContact C-N 3.29Å; H157-S159 PolarHBondContact O-N 2.98Å |
| 158 | V | 53.4 | Low | 46.1 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | | | trans | -75 | 77.6 | 170.6 | -77.9 | 0 | 0 | 0 | 0 | 111.7 | V156 | V156-V158 PolarHBondContact O-N 3.16Š|
| 159 | S | 48.1 | Very low | 46.2 | Very low | 97 Ų | 97 | 133.8 Ų | 133.8 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | | | trans | -61.2 | 137 | 165.9 | -66.8 | 0 | 0 | 0 | 0 | 110.8 | H157 A161 | H157-S159 VanDerWaalsContact C-N 3.29Å; H157-S159 PolarHBondContact O-N 2.98Å; S159-A161 VanDerWaalsContact C-N 3.35Å; S159-A161 PolarHBondContact O-N 3.12Å |
| 160 | P | 49.1 | Very low | 45.9 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | | | trans | -65.3 | 89.4 | 171.8 | -22.7 | 34.9 | 0 | 0 | 0 | 111.7 | S162 | P160-S162 PolarHBondContact O-N 3.21Å; P160-S162 VanDerWaalsContact O-N 3.11Å |
| 161 | A | 47.5 | Very low | 45.7 | Very low | 85 Ų | 85 | 130.9 Ų | 130.9 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | | | trans | -66.8 | 109.2 | 180 | 0 | 0 | 0 | 0 | 0 | 110.7 | S159 S163 | S159-A161 VanDerWaalsContact C-N 3.35Å; S159-A161 PolarHBondContact O-N 3.12Å; A161-S163 PolarHBondContact O-N 3.46Å |
| 162 | S | 52.7 | Low | 46 | Very low | 105 Ų | 105 | 132 Ų | 132 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | -68.2 | 92.6 | -179.1 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | P160 R164 | P160-S162 PolarHBondContact O-N 3.21Å; P160-S162 VanDerWaalsContact O-N 3.11Å; S162-R164 VanDerWaalsContact C-N 3.33Å; S162-R164 PolarHBondContact O-N 3.39Å |
| 163 | S | 47.4 | Very low | 45.7 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | -90.8 | 59.9 | 173.8 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | A161 P165 | A161-S163 PolarHBondContact O-N 3.46Å; S163-P165 WeakPolarHBondContact O-CD 3.22Å |
| 164 | R | 57.8 | Low | 46 | Very low | 207 Ų | 207 | 134.6 Ų | 134.6 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 121.2 | 157 | -74.1 | -176.6 | 174.2 | -175.4 | -2.1 | 107.7 | S162 S166 | S162-R164 VanDerWaalsContact C-N 3.33Å; S162-R164 PolarHBondContact O-N 3.39Å; R164-S166 PolarHBondContact O-N 2.98Å |
| 165 | P | 50.8 | Low | 46.3 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 117 | 171.7 | 27.1 | -32.3 | 0 | 0 | 0 | 108.8 | S163 | S163-P165 WeakPolarHBondContact O-CD 3.22Š|
| 166 | S | 37.8 | Very low | 46.7 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 135.1 | -177.6 | -76 | 0 | 0 | 0 | 0 | 112.3 | R164 | R164-S166 PolarHBondContact O-N 2.98Š|
| 167 | S | 38.8 | Very low | 46.8 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | | | trans | 86.5 | 159.1 | 150.8 | -150.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 168 | S | 39.3 | Very low | 47.1 | Very low | 102 Ų | 102 | 137.5 Ų | 137.5 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | | | trans | 59.4 | 98.6 | 162.7 | 46.1 | 0 | 0 | 0 | 0 | 118.7 | P170 | S168-P170 WeakPolarHBondContact O-CD 3.47Š|
| 169 | S | 44.4 | Very low | 47.1 | Very low | 124 Ų | 124 | 139 Ų | 139 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 127.1 | 156.3 | -46 | 0 | 0 | 0 | 0 | 111.1 | | |
| 170 | P | 43.6 | Very low | 47.1 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 145.4 | 162.4 | -4.8 | 24.5 | 0 | 0 | 0 | 110.5 | S168 | S168-P170 WeakPolarHBondContact O-CD 3.47Š|
| 171 | T | 40 | Very low | 47 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 163.1 | 165.7 | 46.7 | 0 | 0 | 0 | 0 | 111.3 | Q173 | T171-Q173 PolarHBondContact O-N 3.24Š|
| 172 | Q | 44.6 | Very low | 46.8 | Very low | 185 Ų | 185 | 142.1 Ų | 142.1 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 136 | 170.5 | -58 | 177.5 | 1.3 | 0 | 0 | 111.5 | | |
| 173 | Q | 41.6 | Very low | 46.7 | Very low | 189 Ų | 189 | 143.8 Ų | 143.8 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | -159.7 | 104.4 | 131 | -82 | -132.7 | -24.8 | 0 | 0 | 111.7 | T171 V175 | T171-Q173 PolarHBondContact O-N 3.24Å; Q173-V175 PolarHBondContact O-N 3.23Å |
| 174 | H | 46.8 | Very low | 46.7 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 79% | 0.787 | 80% | 0.802 | S | S | * | * | | | trans | -24.4 | 109.3 | 159 | 173.4 | -73.6 | 0 | 0 | 0 | 117.2 | | |
| 175 | V | 46.3 | Very low | 46.4 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | | | trans | -140.2 | 129.8 | 153.8 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | Q173 L177 | Q173-V175 PolarHBondContact O-N 3.23Å; V175-L177 PolarHBondContact O-N 3.12Å |
| 176 | L | 53.2 | Low | 46.3 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 73% | 0.728 | 79% | 0.794 | S | S | * | * | | | trans | -61.6 | 123.4 | 173.9 | -92.5 | 57.5 | 0 | 0 | 0 | 112.4 | | |
| 177 | L | 52.7 | Low | 46.6 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | | | trans | -134.1 | 120 | 141 | -87.7 | 107.3 | 0 | 0 | 0 | 110.2 | V175 | V175-L177 PolarHBondContact O-N 3.12Š|
| 178 | K | 52.5 | Low | 47.3 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | | | trans | -95.4 | 114.6 | -170.4 | 170.4 | 174.1 | 59.8 | -179 | 0 | 110.5 | | |
| 179 | L | 53 | Low | 47.6 | Very low | 172 Ų | 172 | 144.6 Ų | 144.6 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | | | trans | -133.7 | 126.4 | 157.5 | -75 | 179.2 | 0 | 0 | 0 | 109.4 | | |
| 180 | N | 48.8 | Very low | 48 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | | | trans | -71 | 133.2 | 174 | -66 | -53.8 | 0 | 0 | 0 | 109.6 | | |
| 181 | T | 46.8 | Very low | 48.3 | Very low | 133 Ų | 133 | 148.2 Ų | 148.2 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | | | trans | -127.5 | 131.2 | 140.1 | -164.8 | 0 | 0 | 0 | 0 | 107 | I183 | T181-I183 PolarHBondContact O-N 3.47Š|
| 182 | S | 43.4 | Very low | 48.9 | Very low | 91 Ų | 91 | 147.5 Ų | 147.5 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | | | trans | -79.5 | 116.8 | -167.8 | -154.5 | 0 | 0 | 0 | 0 | 110.3 | E184 | S182-E184 PolarHBondContact O-N 3.19Å; S182-E184 WeakPolarHBondContact OG-CG 3.35Å |
| 183 | I | 51.6 | Low | 49.1 | Very low | 140 Ų | 140 | 142.8 Ų | 142.8 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | | | trans | -89.2 | 87.6 | 162 | -63.4 | -179.9 | 0 | 0 | 0 | 106.2 | T181 T185 | T181-I183 PolarHBondContact O-N 3.47Å; I183-T185 HydrophobicContact CG2-CG2 3.71Å; I183-T185 PolarHBondContact O-N 3.43Å |
| 184 | E | 46.9 | Very low | 49.6 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | -76 | 63 | 172 | -62.3 | -173.7 | 142.1 | 0 | 0 | 109.8 | S182 S186 | S182-E184 PolarHBondContact O-N 3.19Å; S182-E184 WeakPolarHBondContact OG-CG 3.35Å; E184-S186 PolarHBondContact O-N 3.37Å; E184-S186 VanDerWaalsContact O-N 3.13Å |
| 185 | T | 51.4 | Low | 49.8 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | | | trans | -67.6 | 106.6 | 162.6 | 39.7 | 0 | 0 | 0 | 0 | 108.2 | I183 S187 | I183-T185 HydrophobicContact CG2-CG2 3.71Å; I183-T185 PolarHBondContact O-N 3.43Å; T185-S187 PolarHBondContact O-N 2.99Å |
| 186 | S | 47.7 | Very low | 50.1 | Low | 116 Ų | 116 | 136.1 Ų | 136.1 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | | | trans | -61.4 | 77.5 | 170 | -54.7 | 0 | 0 | 0 | 0 | 111 | E184 I188 | E184-S186 PolarHBondContact O-N 3.37Å; E184-S186 VanDerWaalsContact O-N 3.13Å; S186-I188 PolarHBondContact O-N 3.22Å |
| 187 | S | 45.3 | Very low | 50 | Low | 107 Ų | 107 | 136.7 Ų | 136.7 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | -75 | 97.4 | 175.7 | -164.8 | 0 | 0 | 0 | 0 | 108.7 | T185 H189 | T185-S187 PolarHBondContact O-N 2.99Å; S187-H189 PolarHBondContact O-N 3.28Å |
| 188 | I | 52.9 | Low | 50 | Low | 149 Ų | 149 | 133.2 Ų | 133.2 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | | | trans | -53.9 | 89 | 177.3 | 43.6 | 160.6 | 0 | 0 | 0 | 112.5 | S186 E190 | S186-I188 PolarHBondContact O-N 3.22Å; I188-E190 PolarHBondContact O-N 3.06Å |
| 189 | H | 46.7 | Very low | 50.4 | Low | 149 Ų | 149 | 131.9 Ų | 131.9 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | | | trans | -84.8 | 58.7 | 172.2 | -158.6 | 67.4 | 0 | 0 | 0 | 111.6 | S187 Q191 | S187-H189 PolarHBondContact O-N 3.28Å; H189-Q191 PolarHBondContact O-N 3.36Å |
| 190 | E | 51.4 | Low | 50.2 | Low | 171 Ų | 171 | 135.1 Ų | 135.1 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | | | trans | -72.4 | 68 | 170.1 | -74.3 | -71.2 | 147.9 | 0 | 0 | 110 | I188 | I188-E190 PolarHBondContact O-N 3.06Š|
| 191 | Q | 51.4 | Low | 50.3 | Low | 152 Ų | 152 | 134.1 Ų | 134.1 | 71% | 0.71 | 78% | 0.782 | S | S | * | * | | | trans | -132.6 | 52.9 | 173.6 | -69 | -161.6 | -37.3 | 0 | 0 | 111.7 | H189 | H189-Q191 PolarHBondContact O-N 3.36Š|
| 192 | S | 51.9 | Low | 50.5 | Low | 121 Ų | 121 | 134.2 Ų | 134.2 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | trans | -100.9 | 69.8 | 169.7 | -70.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 193 | A | 48.6 | Very low | 50.8 | Low | 86 Ų | 86 | 136.6 Ų | 136.6 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | -144.8 | 114.9 | 156.9 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 194 | S | 51.6 | Low | 50.8 | Low | 122 Ų | 122 | 136.4 Ų | 136.4 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | cis | 58.6 | 70.4 | 46.9 | -49.9 | 0 | 0 | 0 | 0 | 112 | | |
| 195 | D | 51 | Low | 51 | Low | 169 Ų | 169 | 134.4 Ų | 134.4 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | | | trans | -134.8 | 156.4 | 134.4 | -143.1 | -5.5 | 0 | 0 | 0 | 109 | | |
| 196 | G | 53.2 | Low | 51 | Low | 54 Ų | 54 | 136.1 Ų | 136.1 | 56% | 0.557 | 80% | 0.801 | S | S | * | * | | | trans | -144.6 | -174.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 197 | D | 51.4 | Low | 51.3 | Low | 151 Ų | 151 | 137.6 Ų | 137.6 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | | | trans | 69.4 | 154.5 | -168.8 | -127.6 | 63.1 | 0 | 0 | 0 | 112.2 | | |
| 198 | S | 53.2 | Low | 51.7 | Low | 100 Ų | 100 | 139.9 Ų | 139.9 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | | | cis | -135.7 | 168.2 | 9.1 | -54.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 199 | D | 59.4 | Low | 51.6 | Low | 155 Ų | 155 | 139.2 Ų | 139.2 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | | | trans | -63 | 144.3 | 170.4 | -60.1 | -104.3 | 0 | 0 | 0 | 114.8 | | |
| 200 | D | 49.7 | Very low | 52.1 | Low | 240 Ų | 240 | 138.3 Ų | 138.3 | 100% | 1.283 | 82% | 0.818 | S | S | * | * | | | | -169.1 | 0 | 117.3 | -164 | 56.7 | 0 | 0 | 0 | 110.5 | | |