| 1 | M | 55.4 | Low | 74.5 | Confident | 215 Ų | 215 | 109.6 Ų | 109.6 | 100% | 1.059 | 58% | 0.581 | S | S | * | * | | | | 0 | 118.6 | 0 | -75.7 | -179.9 | 143.6 | 0 | 0 | 108 | | |
| 2 | T | 68.9 | Low | 74.6 | Confident | 87 Ų | 87 | 105.1 Ų | 105.1 | 53% | 0.534 | 57% | 0.565 | S | S | . | * | | | trans | -87.5 | 150.6 | -179.7 | 51 | 0 | 0 | 0 | 0 | 110.1 | T4 S5 | T2-T4 WeakPolarHBondContact CB-OG1 3.44Å; T2-T4 PolarHBondContact O-N 3.4Å; T2-T4 PolarHBondContact OG1-OG1 3.33Å; T2-S5 PolarHBondContact N-OG 3.34Å; T2-S5 WeakPolarHBondContact O-CB 3.38Å; T2-S5 PolarHBondContact O-N 3.04Å; T2-S5 PolarHBondContact O-OG 3.22Å |
| 3 | L | 71.9 | Confident | 74.8 | Confident | 155 Ų | 155 | 105.2 Ų | 105.2 | 81% | 0.812 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -51.9 | -31.3 | 175.2 | -77.6 | 163.1 | 0 | 0 | 0 | 112.5 | S5 I6 L7 | L3-S5 PolarHBondContact O-N 3.07Å; L3-I6 PolarHBondContact O-N 2.61Å; L3-L7 PolarHBondContact O-N 3.37Å |
| 4 | T | 78.1 | Confident | 74.9 | Confident | 100 Ų | 100 | 103.8 Ų | 103.8 | 61% | 0.613 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.8 | -36.2 | 175 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | T2 L7 F8 | T2-T4 WeakPolarHBondContact CB-OG1 3.44Å; T2-T4 PolarHBondContact O-N 3.4Å; T2-T4 PolarHBondContact OG1-OG1 3.33Å; T4-L7 PolarHBondContact O-N 3.29Å; T4-F8 PolarHBondContact O-N 3.17Å; T4-F8 VanDerWaalsContact O-N 3.09Å |
| 5 | S | 71.1 | Confident | 74.5 | Confident | 39 Ų | 39 | 101.3 Ų | 101.3 | 27% | 0.273 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.8 | -35.6 | 178.6 | 60.5 | 0 | 0 | 0 | 0 | 112.3 | T2 L3 I9 | T2-S5 PolarHBondContact N-OG 3.34Å; T2-S5 WeakPolarHBondContact O-CB 3.38Å; T2-S5 PolarHBondContact O-N 3.04Å; T2-S5 PolarHBondContact O-OG 3.22Å; L3-S5 PolarHBondContact O-N 3.07Å; S5-I9 WeakPolarHBondContact O-CD1 3.26Å; S5-I9 VanDerWaalsContact O-CG1 3.26Å; S5-I9 WeakPolarHBondContact O-CG1 3.39Å; S5-I9 PolarHBondContact O-N 3.46Å |
| 6 | I | 78.2 | Confident | 73.7 | Confident | 94 Ų | 94 | 101.3 Ų | 101.3 | 48% | 0.482 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.7 | -45.7 | 176.3 | -61.8 | 170.5 | 0 | 0 | 0 | 110.1 | L3 F8 I9 T10 | L3-I6 PolarHBondContact O-N 2.61Å; I6-F8 VanDerWaalsContact C-N 3.3Å; I6-F8 PolarHBondContact O-N 2.79Å; I6-I9 PolarHBondContact O-N 3.18Å; I6-T10 WeakPolarHBondContact O-CG2 3.45Å; I6-T10 PolarHBondContact O-N 3.48Å; I6-T10 PolarHBondContact O-OG1 3.26Å |
| 7 | L | 78.6 | Confident | 72.9 | Confident | 108 Ų | 108 | 103.9 Ų | 103.9 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -58.4 | -42.9 | 178.1 | -174 | 67.9 | 0 | 0 | 0 | 111.6 | L3 T4 T10 I11 | L3-L7 PolarHBondContact O-N 3.37Å; T4-L7 PolarHBondContact O-N 3.29Å; L7-T10 WeakPolarHBondContact CA-OG1 3.42Å; L7-T10 PolarHBondContact O-N 3.09Å; L7-T10 PolarHBondContact O-OG1 3.32Å; L7-I11 HydrophobicContact CD1-CD1 4.26Å; L7-I11 HydrophobicContact CG-CD1 3.93Å; L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.42Å |
| 8 | F | 77.6 | Confident | 71.8 | Confident | 149 Ų | 149 | 108.6 Ų | 108.6 | 65% | 0.654 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.4 | -45.5 | 178.5 | -163.6 | -94.5 | 0 | 0 | 0 | 112.2 | T4 I6 T10 I11 S12 | T4-F8 PolarHBondContact O-N 3.17Å; T4-F8 VanDerWaalsContact O-N 3.09Å; I6-F8 VanDerWaalsContact C-N 3.3Å; I6-F8 PolarHBondContact O-N 2.79Å; F8-T10 VanDerWaalsContact C-N 3.32Å; F8-T10 PolarHBondContact O-N 3.04Å; F8-I11 PolarHBondContact O-N 2.92Å; F8-S12 WeakPolarHBondContact O-CB 3.43Å; F8-S12 PolarHBondContact O-N 3.09Å; F8-S12 PolarHBondContact O-OG 3.01Å; F8-S12 VanDerWaalsContact O-OG 3.08Å |
| 9 | I | 80 | Confident | 70.8 | Confident | 103 Ų | 103 | 111.8 Ų | 111.8 | 53% | 0.528 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.3 | -43.5 | 177.3 | -66.7 | 162.8 | 0 | 0 | 0 | 110.8 | S5 I6 I11 S12 L13 | S5-I9 WeakPolarHBondContact O-CD1 3.26Å; S5-I9 VanDerWaalsContact O-CG1 3.26Å; S5-I9 WeakPolarHBondContact O-CG1 3.39Å; S5-I9 PolarHBondContact O-N 3.46Å; I6-I9 PolarHBondContact O-N 3.18Å; I9-I11 PolarHBondContact O-N 3.39Å; I9-S12 PolarHBondContact O-N 3.48Å; I9-L13 WeakPolarHBondContact O-CB 3.32Å; I9-L13 PolarHBondContact O-N 2.87Å |
| 10 | T | 79.2 | Confident | 69.5 | Low | 70 Ų | 70 | 110.4 Ų | 110.4 | 43% | 0.429 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.2 | -42.8 | 179.5 | 53.1 | 0 | 0 | 0 | 0 | 112.2 | I6 L7 F8 L13 T14 | I6-T10 WeakPolarHBondContact O-CG2 3.45Å; I6-T10 PolarHBondContact O-N 3.48Å; I6-T10 PolarHBondContact O-OG1 3.26Å; L7-T10 WeakPolarHBondContact CA-OG1 3.42Å; L7-T10 PolarHBondContact O-N 3.09Å; L7-T10 PolarHBondContact O-OG1 3.32Å; F8-T10 VanDerWaalsContact C-N 3.32Å; F8-T10 PolarHBondContact O-N 3.04Å; T10-L13 PolarHBondContact O-N 2.74Å; T10-T14 WeakPolarHBondContact O-CG2 3.33Å; T10-T14 PolarHBondContact O-N 3.22Å; T10-T14 PolarHBondContact O-OG1 3.01Å |
| 11 | I | 80.3 | Confident | 68.2 | Low | 86 Ų | 86 | 107.9 Ų | 107.9 | 44% | 0.441 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.9 | -47.8 | 178.1 | -67.1 | 164.7 | 0 | 0 | 0 | 110.1 | L7 F8 I9 L13 T14 C15 | L7-I11 HydrophobicContact CD1-CD1 4.26Å; L7-I11 HydrophobicContact CG-CD1 3.93Å; L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.42Å; F8-I11 PolarHBondContact O-N 2.92Å; I9-I11 PolarHBondContact O-N 3.39Å; I11-L13 VanDerWaalsContact C-N 3.28Å; I11-L13 PolarHBondContact O-N 3.4Å; I11-T14 WeakPolarHBondContact CA-OG1 3.42Å; I11-T14 PolarHBondContact O-N 3.22Å; I11-T14 PolarHBondContact O-OG1 3.04Å; I11-C15 WeakPolarHBondContact O-CB 3.48Å; I11-C15 PolarHBondContact O-N 3.12Å; I11-C15 PolarHBondContact O-SG 3.35Å |
| 12 | S | 75.9 | Confident | 67.5 | Low | 55 Ų | 55 | 103.1 Ų | 103.1 | 39% | 0.385 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.8 | -39.4 | 177.4 | -61.3 | 0 | 0 | 0 | 0 | 112.5 | F8 I9 C15 L16 | F8-S12 WeakPolarHBondContact O-CB 3.43Å; F8-S12 PolarHBondContact O-N 3.09Å; F8-S12 PolarHBondContact O-OG 3.01Å; F8-S12 VanDerWaalsContact O-OG 3.08Å; I9-S12 PolarHBondContact O-N 3.48Å; S12-C15 PolarHBondContact O-N 3.28Å; S12-L16 WeakPolarHBondContact O-CB 3.42Å; S12-L16 PolarHBondContact O-N 3.19Å |
| 13 | L | 76.8 | Confident | 66.1 | Low | 106 Ų | 106 | 102 Ų | 102 | 56% | 0.555 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.1 | -40.1 | 178.1 | -161.6 | 73.4 | 0 | 0 | 0 | 111.8 | I9 T10 I11 L16 F17 | I9-L13 WeakPolarHBondContact O-CB 3.32Å; I9-L13 PolarHBondContact O-N 2.87Å; T10-L13 PolarHBondContact O-N 2.74Å; I11-L13 VanDerWaalsContact C-N 3.28Å; I11-L13 PolarHBondContact O-N 3.4Å; L13-L16 PolarHBondContact O-N 3.36Å; L13-F17 PolarHBondContact O-N 3.44Å |
| 14 | T | 75.9 | Confident | 64.8 | Low | 86 Ų | 86 | 99.4 Ų | 99.4 | 53% | 0.528 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.5 | -38.2 | 174.4 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | T10 I11 F17 F18 | T10-T14 WeakPolarHBondContact O-CG2 3.33Å; T10-T14 PolarHBondContact O-N 3.22Å; T10-T14 PolarHBondContact O-OG1 3.01Å; I11-T14 WeakPolarHBondContact CA-OG1 3.42Å; I11-T14 PolarHBondContact O-N 3.22Å; I11-T14 PolarHBondContact O-OG1 3.04Å; T14-F17 PolarHBondContact O-N 3.49Å; T14-F18 PolarHBondContact O-N 3.06Å |
| 15 | C | 69.7 | Low | 63.2 | Low | 66 Ų | 66 | 98.1 Ų | 98.1 | 45% | 0.446 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 174.8 | -70 | 0 | 0 | 0 | 0 | 111.2 | I11 S12 F17 F18 Q19 | I11-C15 WeakPolarHBondContact O-CB 3.48Å; I11-C15 PolarHBondContact O-N 3.12Å; I11-C15 PolarHBondContact O-SG 3.35Å; S12-C15 PolarHBondContact O-N 3.28Å; C15-F17 VanDerWaalsContact C-N 3.31Å; C15-F17 PolarHBondContact O-N 2.91Å; C15-F18 PolarHBondContact O-N 3.08Å; C15-Q19 WeakPolarHBondContact O-CB 3.49Å; C15-Q19 PolarHBondContact O-N 3.41Å |
| 16 | L | 60.9 | Low | 61.8 | Low | 102 Ų | 102 | 101.9 Ų | 101.9 | 53% | 0.534 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.1 | -43.8 | 175.1 | -170.5 | 70.6 | 0 | 0 | 0 | 110.7 | S12 L13 F18 Q19 T20 | S12-L16 WeakPolarHBondContact O-CB 3.42Å; S12-L16 PolarHBondContact O-N 3.19Å; L13-L16 PolarHBondContact O-N 3.36Å; L16-F18 VanDerWaalsContact C-N 3.31Å; L16-F18 PolarHBondContact O-N 2.74Å; L16-Q19 PolarHBondContact O-N 2.93Å; L16-T20 WeakPolarHBondContact O-CG2 3.21Å; L16-T20 PolarHBondContact O-N 3.18Å; L16-T20 PolarHBondContact O-OG1 2.85Å |
| 17 | F | 59.9 | Low | 60.2 | Low | 146 Ų | 146 | 99.7 Ų | 99.7 | 64% | 0.64 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.6 | -36.8 | 175.5 | -115.3 | -90.3 | 0 | 0 | 0 | 113.2 | L13 T14 C15 T20 | L13-F17 PolarHBondContact O-N 3.44Å; T14-F17 PolarHBondContact O-N 3.49Å; C15-F17 VanDerWaalsContact C-N 3.31Å; C15-F17 PolarHBondContact O-N 2.91Å; F17-T20 PolarHBondContact O-OG1 3.29Å |
| 18 | F | 54.3 | Low | 58.4 | Low | 187 Ų | 187 | 99.8 Ų | 99.8 | 82% | 0.82 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -77 | -31.6 | 177.4 | -120.1 | -90.9 | 0 | 0 | 0 | 112.9 | T14 C15 L16 G21 | T14-F18 PolarHBondContact O-N 3.06Å; C15-F18 PolarHBondContact O-N 3.08Å; L16-F18 VanDerWaalsContact C-N 3.31Å; L16-F18 PolarHBondContact O-N 2.74Å; F18-G21 PolarHBondContact O-N 3.31Å |
| 19 | Q | 51.7 | Low | 56.6 | Low | 170 Ų | 170 | 100.1 Ų | 100.1 | 79% | 0.794 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -83.7 | -25.5 | -178.1 | -153.3 | 163.7 | 19.5 | 0 | 0 | 111.8 | C15 L16 G21 | C15-Q19 WeakPolarHBondContact O-CB 3.49Å; C15-Q19 PolarHBondContact O-N 3.41Å; L16-Q19 PolarHBondContact O-N 2.93Å; Q19-G21 PolarHBondContact O-N 2.69Å |
| 20 | T | 45.3 | Very low | 54.5 | Low | 83 Ų | 83 | 101.8 Ų | 101.8 | 51% | 0.509 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.2 | 34.9 | 161.9 | 62.2 | 0 | 0 | 0 | 0 | 111.8 | L16 F17 D22 | L16-T20 WeakPolarHBondContact O-CG2 3.21Å; L16-T20 PolarHBondContact O-N 3.18Å; L16-T20 PolarHBondContact O-OG1 2.85Å; F17-T20 PolarHBondContact O-OG1 3.29Å; T20-D22 PolarHBondContact O-N 2.79Å |
| 21 | G | 42.6 | Very low | 52.4 | Low | 59 Ų | 59 | 100.7 Ų | 100.7 | 61% | 0.608 | 59% | 0.588 | S | S | * | * | | | trans | -65.1 | 21.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | F18 Q19 A23 | F18-G21 PolarHBondContact O-N 3.31Å; Q19-G21 PolarHBondContact O-N 2.69Å; G21-A23 VanDerWaalsContact C-N 3.32Å; G21-A23 PolarHBondContact O-N 3.32Å |
| 22 | D | 40.2 | Very low | 50.3 | Low | 114 Ų | 114 | 100.1 Ų | 100.1 | 61% | 0.61 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -74.8 | 88.2 | 167.8 | -74.3 | -32.9 | 0 | 0 | 0 | 108.9 | T20 I24 | T20-D22 PolarHBondContact O-N 2.79Å; D22-I24 PolarHBondContact O-N 3.39Å; D22-I24 VanDerWaalsContact O-N 3.1Å |
| 23 | A | 40.5 | Very low | 48.4 | Very low | 63 Ų | 63 | 105.3 Ų | 105.3 | 52% | 0.521 | 63% | 0.627 | S | S | . | * | | | trans | 16 | 81.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | G21 S25 G43 | G21-A23 VanDerWaalsContact C-N 3.32Å; G21-A23 PolarHBondContact O-N 3.32Å; A23-S25 VanDerWaalsContact C-N 3.28Å; A23-S25 PolarHBondContact O-N 3.32Å; A23-G43 VanDerWaalsContact O-CA 3.22Å; A23-G43 WeakPolarHBondContact O-CA 3.49Å; A23-G43 PolarHBondContact O-N 3.11Å |
| 24 | I | 44.5 | Very low | 46.4 | Very low | 101 Ų | 101 | 105.5 Ų | 105.5 | 52% | 0.518 | 64% | 0.644 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71.2 | 93.5 | 158.5 | -58.3 | 175 | 0 | 0 | 0 | 106.5 | D22 V26 | D22-I24 PolarHBondContact O-N 3.39Å; D22-I24 VanDerWaalsContact O-N 3.1Å; I24-V26 HydrophobicContact CG2-CG2 4.33Å |
| 25 | S | 44.1 | Very low | 44.4 | Very low | 74 Ų | 74 | 104.2 Ų | 104.2 | 52% | 0.517 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.1 | 110.9 | 171.8 | 56.6 | 0 | 0 | 0 | 0 | 109.1 | A23 G27 | A23-S25 VanDerWaalsContact C-N 3.28Å; A23-S25 PolarHBondContact O-N 3.32Å; S25-G27 PolarHBondContact O-N 2.89Å |
| 26 | V | 42.2 | Very low | 42.9 | Very low | 117 Ų | 117 | 108.8 Ų | 108.8 | 71% | 0.709 | 67% | 0.666 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.3 | 93.4 | 167.1 | -176.6 | 0 | 0 | 0 | 0 | 106.9 | I24 | I24-V26 HydrophobicContact CG2-CG2 4.33Å |
| 27 | G | 44.4 | Very low | 42 | Very low | 48 Ų | 48 | 111.8 Ų | 111.8 | 50% | 0.495 | 68% | 0.675 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.8 | 119.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | S25 | S25-G27 PolarHBondContact O-N 2.89Å |
| 28 | V | 41.1 | Very low | 41.3 | Very low | 111 Ų | 111 | 108.6 Ų | 108.6 | 67% | 0.673 | 68% | 0.676 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.9 | 101.2 | 161.2 | 179.9 | 0 | 0 | 0 | 0 | 106.5 | V30 | V28-V30 HydrophobicContact CG1-CG2 4.25Å |
| 29 | E | 39.4 | Very low | 41 | Very low | 156 Ų | 156 | 101.6 Ų | 101.6 | 73% | 0.729 | 66% | 0.656 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96 | 116.1 | 175.8 | -162.4 | 175.9 | -169 | 0 | 0 | 108.8 | G31 | E29-G31 PolarHBondContact O-N 3.42Å |
| 30 | V | 36.4 | Very low | 40.5 | Very low | 137 Ų | 137 | 100.6 Ų | 100.6 | 83% | 0.83 | 66% | 0.655 | S | S | * | * | | | trans | -96.6 | 83.6 | 175.1 | -174 | 0 | 0 | 0 | 0 | 107.4 | V28 | V28-V30 HydrophobicContact CG1-CG2 4.25Š|
| 31 | G | 35.1 | Very low | 40.3 | Very low | 47 Ų | 47 | 98.2 Ų | 98.2 | 49% | 0.485 | 65% | 0.647 | S | S | . | * | | | trans | -80.7 | 129.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E29 | E29-G31 PolarHBondContact O-N 3.42Š|
| 32 | G | 34.4 | Very low | 40 | Very low | 75 Ų | 75 | 101.6 Ų | 101.6 | 77% | 0.773 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -56.4 | 136.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 33 | D | 36.6 | Very low | 39.6 | Very low | 163 Ų | 163 | 97.2 Ų | 97.2 | 87% | 0.872 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 74.1 | 100.9 | -173.4 | -56.8 | -32.5 | 0 | 0 | 0 | 116 | | |
| 34 | A | 34.8 | Very low | 39.2 | Very low | 110 Ų | 110 | 97.8 Ų | 97.8 | 91% | 0.909 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 69.9 | 69.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 35 | G | 34.5 | Very low | 38.5 | Very low | 59 Ų | 59 | 95.9 Ų | 95.9 | 61% | 0.608 | 65% | 0.65 | S | S | * | * | | | trans | 121.5 | 142.3 | 144.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | K37 | G35-K37 PolarHBondContact O-N 3.41Š|
| 36 | I | 37.8 | Very low | 38 | Very low | 162 Ų | 162 | 97.8 Ų | 97.8 | 83% | 0.831 | 67% | 0.67 | S | S | * | * | | | trans | -73.9 | 108.6 | 173.1 | -57.9 | 173.4 | 0 | 0 | 0 | 107.9 | | |
| 37 | K | 42.9 | Very low | 37.4 | Very low | 165 Ų | 165 | 94 Ų | 94 | 72% | 0.717 | 66% | 0.655 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.3 | 103.8 | 167.6 | -77.2 | -179.5 | -178.8 | 172.6 | 0 | 108.7 | G35 | G35-K37 PolarHBondContact O-N 3.41Å |
| 38 | A | 44.1 | Very low | 37.1 | Very low | 80 Ų | 80 | 97.9 Ų | 97.9 | 66% | 0.661 | 67% | 0.669 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.2 | 105.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 39 | G | 48.5 | Very low | 37 | Very low | 40 Ų | 40 | 102.7 Ų | 102.7 | 41% | 0.412 | 68% | 0.681 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | G41 | G39-G41 PolarHBondContact O-N 3.17Å |
| 40 | L | 40.4 | Very low | 37 | Very low | 148 Ų | 148 | 99.2 Ų | 99.2 | 78% | 0.775 | 68% | 0.678 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.1 | 98.4 | 167.5 | -127.6 | 142.4 | 0 | 0 | 0 | 106.8 | | |
| 41 | G | 42.1 | Very low | 37.4 | Very low | 33 Ų | 33 | 95.6 Ų | 95.6 | 34% | 0.34 | 67% | 0.669 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.4 | 121 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | G39 G43 | G39-G41 PolarHBondContact O-N 3.17Å; G41-G43 PolarHBondContact O-N 2.98Å |
| 42 | L | 37 | Very low | 37.7 | Very low | 131 Ų | 131 | 100.1 Ų | 100.1 | 69% | 0.686 | 68% | 0.681 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.6 | 109 | 163 | -71.5 | 166.7 | 0 | 0 | 0 | 107.1 | | |
| 43 | G | 31.7 | Very low | 38.1 | Very low | 22 Ų | 22 | 102.5 Ų | 102.5 | 23% | 0.227 | 68% | 0.68 | C | S | . | * | | | trans | -63.3 | 151 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A23 G41 G45 | A23-G43 VanDerWaalsContact O-CA 3.22Å; A23-G43 WeakPolarHBondContact O-CA 3.49Å; A23-G43 PolarHBondContact O-N 3.11Å; G41-G43 PolarHBondContact O-N 2.98Å; G43-G45 PolarHBondContact O-N 3.45Å |
| 44 | G | 31 | Very low | 38.2 | Very low | 75 Ų | 75 | 102.6 Ų | 102.6 | 77% | 0.773 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 79.1 | 9 | 139 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 45 | G | 29.8 | Very low | 38.2 | Very low | 60 Ų | 60 | 99.9 Ų | 99.9 | 62% | 0.619 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -170.2 | 98 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G43 G47 | G43-G45 PolarHBondContact O-N 3.45Å; G45-G47 PolarHBondContact O-N 3.44Å |
| 46 | A | 34.4 | Very low | 38.4 | Very low | 114 Ų | 114 | 109.6 Ų | 109.6 | 94% | 0.942 | 68% | 0.681 | S | S | * | * | S | Bend | trans | 41.9 | 44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V48 | A46-V48 PolarHBondContact O-N 3.35Š|
| 47 | G | 29.8 | Very low | 38.3 | Very low | 39 Ų | 39 | 105.2 Ų | 105.2 | 40% | 0.402 | 68% | 0.675 | S | S | . | * | | | trans | -76.7 | 120.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113 | G45 K49 | G45-G47 PolarHBondContact O-N 3.44Å; G47-K49 PolarHBondContact O-N 3.05Å; G47-K49 VanDerWaalsContact O-N 3.14Å |
| 48 | V | 37.6 | Very low | 38 | Very low | 128 Ų | 128 | 101.2 Ų | 101.2 | 78% | 0.776 | 67% | 0.673 | S | S | * | * | | | trans | -54.8 | 112.8 | 170.1 | 177.4 | 0 | 0 | 0 | 0 | 109.6 | A46 A50 | A46-V48 PolarHBondContact O-N 3.35Å; V48-A50 VanDerWaalsContact C-N 3.25Å; V48-A50 HydrophobicContact CG1-CB 4.4Å; V48-A50 PolarHBondContact O-N 3.45Å |
| 49 | K | 39.2 | Very low | 37.6 | Very low | 213 Ų | 213 | 109.4 Ų | 109.4 | 93% | 0.926 | 69% | 0.687 | S | S | * | * | | | trans | -68 | 79.5 | 170 | -82.6 | -177.2 | 175.5 | 178.6 | 0 | 110 | G47 G51 | G47-K49 PolarHBondContact O-N 3.05Å; G47-K49 VanDerWaalsContact O-N 3.14Å; K49-G51 PolarHBondContact O-N 2.81Å |
| 50 | A | 39 | Very low | 37.2 | Very low | 82 Ų | 82 | 112 Ų | 112 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | | | trans | -93.9 | 79.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | V48 L52 | V48-A50 VanDerWaalsContact C-N 3.25Å; V48-A50 HydrophobicContact CG1-CB 4.4Å; V48-A50 PolarHBondContact O-N 3.45Å; A50-L52 PolarHBondContact O-N 3.46Å |
| 51 | G | 44.9 | Very low | 37.4 | Very low | 61 Ų | 61 | 116.7 Ų | 116.7 | 63% | 0.629 | 70% | 0.703 | S | S | * | * | | | trans | -73.6 | 116.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | K49 V53 | K49-G51 PolarHBondContact O-N 2.81Å; G51-V53 PolarHBondContact O-N 3.34Å; G51-V53 VanDerWaalsContact O-N 3.1Å |
| 52 | L | 41.5 | Very low | 37.6 | Very low | 142 Ų | 142 | 121.9 Ų | 121.9 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | | | trans | -79.3 | 88.7 | 172.8 | -151.6 | 145.8 | 0 | 0 | 0 | 108.3 | A50 L54 | A50-L52 PolarHBondContact O-N 3.46Å; L52-L54 HydrophobicContact CD2-CG 4.22Å; L52-L54 PolarHBondContact O-N 2.98Å |
| 53 | V | 43.6 | Very low | 37.9 | Very low | 126 Ų | 126 | 117.3 Ų | 117.3 | 76% | 0.764 | 71% | 0.707 | S | S | * | * | | | trans | -76.6 | 100.4 | 178.5 | 179.3 | 0 | 0 | 0 | 0 | 109 | G51 G55 | G51-V53 PolarHBondContact O-N 3.34Å; G51-V53 VanDerWaalsContact O-N 3.1Å; V53-G55 PolarHBondContact O-N 3.16Å |
| 54 | L | 37.3 | Very low | 38.6 | Very low | 164 Ų | 164 | 127 Ų | 127 | 86% | 0.859 | 74% | 0.738 | S | S | * | * | | | trans | -74.6 | 70.2 | 162.2 | -82 | 157.7 | 0 | 0 | 0 | 108.8 | L52 R56 | L52-L54 HydrophobicContact CD2-CG 4.22Å; L52-L54 PolarHBondContact O-N 2.98Å; L54-R56 PolarHBondContact O-N 2.77Å |
| 55 | G | 35.6 | Very low | 39.4 | Very low | 53 Ų | 53 | 133.6 Ų | 133.6 | 55% | 0.546 | 74% | 0.74 | S | S | . | * | | | trans | -71.1 | 116.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V53 G57 | V53-G55 PolarHBondContact O-N 3.16Å; G55-G57 VanDerWaalsContact C-N 3.32Å; G55-G57 PolarHBondContact O-N 3.19Å |
| 56 | R | 37.6 | Very low | 40.5 | Very low | 264 Ų | 264 | 135.7 Ų | 135.7 | 100% | 0.996 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | 86.3 | 168.7 | -163.1 | -175.6 | -166 | -169.9 | 4.5 | 109.3 | L54 | L54-R56 PolarHBondContact O-N 2.77Š|
| 57 | G | 35.7 | Very low | 41.3 | Very low | 69 Ų | 69 | 135.3 Ų | 135.3 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -167.2 | -26.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | G55 R59 | G55-G57 VanDerWaalsContact C-N 3.32Å; G55-G57 PolarHBondContact O-N 3.19Å; G57-R59 PolarHBondContact O-N 2.86Å |
| 58 | A | 37.3 | Very low | 42.3 | Very low | 82 Ų | 82 | 143.4 Ų | 143.4 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | | | trans | -88.2 | 95.4 | 179 | 0 | 0 | 0 | 0 | 0 | 110.4 | T60 | A58-T60 HydrophobicContact CB-CG2 4.32Å; A58-T60 PolarHBondContact O-N 3.35Å |
| 59 | R | 35.3 | Very low | 42.8 | Very low | 251 Ų | 251 | 141.7 Ų | 141.7 | 95% | 0.947 | 73% | 0.727 | S | S | * | * | | | trans | -62.6 | 69.4 | 160.4 | -70.8 | -178.8 | 176.1 | -167.1 | -0.9 | 109.3 | G57 R61 | G57-R59 PolarHBondContact O-N 2.86Å; R59-R61 PolarHBondContact O-N 3.18Å |
| 60 | T | 40 | Very low | 43.5 | Very low | 95 Ų | 95 | 136.1 Ų | 136.1 | 58% | 0.583 | 71% | 0.707 | S | S | * | * | | | trans | -80.2 | 109.3 | 166.9 | 48.6 | 0 | 0 | 0 | 0 | 107.2 | A58 N62 G63 | A58-T60 HydrophobicContact CB-CG2 4.32Å; A58-T60 PolarHBondContact O-N 3.35Å; T60-N62 PolarHBondContact O-N 3.25Å; T60-G63 PolarHBondContact O-N 2.94Å; T60-G63 VanDerWaalsContact O-N 3.11Å |
| 61 | R | 44.1 | Very low | 44.1 | Very low | 247 Ų | 247 | 138.4 Ų | 138.4 | 93% | 0.932 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | -3.8 | -179.6 | -169.7 | 177.1 | -84.7 | -166 | -4.6 | 114.1 | R59 | R59-R61 PolarHBondContact O-N 3.18Š|
| 62 | N | 46.5 | Very low | 44.3 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 76% | 0.759 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.7 | 9.9 | -177.3 | -66.1 | -17.4 | 0 | 0 | 0 | 114.9 | T60 Y64 | T60-N62 PolarHBondContact O-N 3.25Å; N62-Y64 PolarHBondContact O-N 3.47Å |
| 63 | G | 43.5 | Very low | 44.5 | Very low | 34 Ų | 34 | 135.7 Ų | 135.7 | 35% | 0.351 | 69% | 0.685 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.2 | -3 | -160.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | T60 | T60-G63 PolarHBondContact O-N 2.94Å; T60-G63 VanDerWaalsContact O-N 3.11Å |
| 64 | Y | 46.7 | Very low | 44.8 | Very low | 226 Ų | 226 | 138.3 Ų | 138.3 | 89% | 0.886 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 0.1 | -176.9 | -79.8 | -79 | 0 | 0 | 0 | 115.1 | N62 | N62-Y64 PolarHBondContact O-N 3.47Š|
| 65 | R | 48.8 | Very low | 45.3 | Very low | 213 Ų | 213 | 141.4 Ų | 141.4 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -90.8 | -18.8 | 178.9 | -78.7 | -174.1 | -178.3 | 171.1 | 1.5 | 114.8 | | |
| 66 | D | 52.3 | Low | 46 | Very low | 105 Ų | 105 | 145 Ų | 145 | 56% | 0.561 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -90.6 | -12.5 | -168.2 | -73.3 | -32.4 | 0 | 0 | 0 | 115.8 | R68 N69 L70 | D66-R68 VanDerWaalsContact C-N 3.3Å; D66-R68 PolarHBondContact O-N 3.44Å; D66-N69 PolarHBondContact O-N 2.93Å; D66-L70 PolarHBondContact O-N 3.29Å |
| 67 | V | 51.6 | Low | 46.3 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 64% | 0.642 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -70.6 | -30.8 | 178 | -157 | 0 | 0 | 0 | 0 | 111.4 | | |
| 68 | R | 49.3 | Very low | 46.9 | Very low | 208 Ų | 208 | 144.7 Ų | 144.7 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -74.5 | -30.5 | 177 | -157.4 | -177.2 | -81.4 | -164.9 | -2.6 | 111.8 | D66 I72 | D66-R68 VanDerWaalsContact C-N 3.3Å; D66-R68 PolarHBondContact O-N 3.44Å; R68-I72 WeakPolarHBondContact O-CG1 3.22Å |
| 69 | N | 49.6 | Very low | 47.3 | Very low | 92 Ų | 92 | 143.5 Ų | 143.5 | 49% | 0.492 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -79.2 | -30.3 | 176.4 | -69.4 | -19.6 | 0 | 0 | 0 | 112.6 | D66 L71 I72 A73 | D66-N69 PolarHBondContact O-N 2.93Å; N69-L71 VanDerWaalsContact C-N 3.26Å; N69-L71 PolarHBondContact O-N 2.89Å; N69-I72 PolarHBondContact O-N 2.96Å; N69-I72 VanDerWaalsContact O-N 3.12Å; N69-A73 PolarHBondContact O-N 3.1Å |
| 70 | L | 54 | Low | 48 | Very low | 96 Ų | 96 | 138 Ų | 138 | 50% | 0.503 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -64.5 | -31.4 | 176.6 | -170 | 61.6 | 0 | 0 | 0 | 112.6 | D66 I81 | D66-L70 PolarHBondContact O-N 3.29Å; L70-I81 HydrophobicContact CD1-CD1 4.07Å |
| 71 | L | 51.6 | Low | 48.5 | Very low | 130 Ų | 130 | 140 Ų | 140 | 68% | 0.681 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -76.8 | -25.8 | 175.2 | -167.7 | 61.5 | 0 | 0 | 0 | 112.7 | N69 | N69-L71 VanDerWaalsContact C-N 3.26Å; N69-L71 PolarHBondContact O-N 2.89Å |
| 72 | I | 49.2 | Very low | 48.5 | Very low | 97 Ų | 97 | 133.7 Ų | 133.7 | 50% | 0.497 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -79.8 | -36.5 | 175.5 | -61.6 | 169.4 | 0 | 0 | 0 | 110.4 | R68 N69 K74 R75 | R68-I72 WeakPolarHBondContact O-CG1 3.22Å; N69-I72 PolarHBondContact O-N 2.96Å; N69-I72 VanDerWaalsContact O-N 3.12Å; I72-K74 VanDerWaalsContact C-N 3.25Å; I72-K74 PolarHBondContact O-N 3.21Å; I72-R75 PolarHBondContact O-N 3.02Å; I72-R75 VanDerWaalsContact O-N 3.09Å |
| 73 | A | 44.7 | Very low | 48.8 | Very low | 49 Ų | 49 | 129.6 Ų | 129.6 | 41% | 0.405 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -64.2 | -25.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | N69 | N69-A73 PolarHBondContact O-N 3.1Å |
| 74 | K | 49.4 | Very low | 48.8 | Very low | 181 Ų | 181 | 137.3 Ų | 137.3 | 79% | 0.787 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -18.6 | 173.6 | -84.1 | -169.9 | 173.9 | -175.2 | 0 | 114.4 | I72 | I72-K74 VanDerWaalsContact C-N 3.25Å; I72-K74 PolarHBondContact O-N 3.21Å |
| 75 | R | 49.3 | Very low | 48.8 | Very low | 230 Ų | 230 | 133.5 Ų | 133.5 | 87% | 0.868 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -17.1 | -177.4 | -106.1 | -177.8 | 177.1 | 165.7 | -0.3 | 114 | I72 | I72-R75 PolarHBondContact O-N 3.02Å; I72-R75 VanDerWaalsContact O-N 3.09Å |
| 76 | L | 48.5 | Very low | 48.5 | Very low | 127 Ų | 127 | 129 Ų | 129 | 67% | 0.665 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -111.6 | 101.4 | 172.6 | -68.2 | 164.4 | 0 | 0 | 0 | 106.5 | R78 | L76-R78 PolarHBondContact O-N 2.83Š|
| 77 | G | 45.9 | Very low | 47.8 | Very low | 86 Ų | 86 | 127.7 Ų | 127.7 | 89% | 0.887 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -65 | 45.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 78 | R | 47.4 | Very low | 47.2 | Very low | 242 Ų | 242 | 126.5 Ų | 126.5 | 91% | 0.913 | 73% | 0.726 | S | S | * | * | | | trans | -150.2 | 87.4 | 177.8 | -82.2 | -174 | 151.2 | 158.6 | -5.7 | 108.3 | L76 | L76-R78 PolarHBondContact O-N 2.83Š|
| 79 | G | 46 | Very low | 46.8 | Very low | 56 Ų | 56 | 122.4 Ų | 122.4 | 58% | 0.577 | 73% | 0.729 | S | S | * | * | | | trans | -162.3 | 83.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | I81 | G79-I81 PolarHBondContact O-N 3.33Å; G79-I81 VanDerWaalsContact O-N 3.16Å |
| 80 | T | 49.7 | Very low | 46.6 | Very low | 136 Ų | 136 | 127 Ų | 127 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | | | trans | -64.5 | 106.2 | 160.7 | 41.8 | 0 | 0 | 0 | 0 | 107.6 | S82 | T80-S82 VanDerWaalsContact C-N 3.28Å; T80-S82 PolarHBondContact O-N 3.34Å |
| 81 | I | 50.7 | Low | 45.9 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | | | trans | -73.5 | 89.9 | 168.7 | -58.2 | 174.6 | 0 | 0 | 0 | 106.4 | L70 G79 G83 | L70-I81 HydrophobicContact CD1-CD1 4.07Å; G79-I81 PolarHBondContact O-N 3.33Å; G79-I81 VanDerWaalsContact O-N 3.16Å; I81-G83 PolarHBondContact O-N 3.29Å |
| 82 | S | 44.4 | Very low | 45.2 | Very low | 113 Ų | 113 | 126.4 Ų | 126.4 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | | | trans | -76.9 | 97.6 | 165.7 | 67 | 0 | 0 | 0 | 0 | 108 | T80 | T80-S82 VanDerWaalsContact C-N 3.28Å; T80-S82 PolarHBondContact O-N 3.34Å |
| 83 | G | 51.4 | Low | 45 | Very low | 57 Ų | 57 | 133.2 Ų | 133.2 | 59% | 0.588 | 78% | 0.782 | S | S | * | * | | | trans | -102.2 | 109.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | I81 V85 | I81-G83 PolarHBondContact O-N 3.29Å; G83-V85 PolarHBondContact O-N 3.24Å |
| 84 | E | 43.9 | Very low | 44.9 | Very low | 195 Ų | 195 | 137.1 Ų | 137.1 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | | | trans | -67.9 | 113.9 | 169.5 | -63.8 | 179.6 | 148.7 | 0 | 0 | 108.6 | | |
| 85 | V | 46.3 | Very low | 45 | Very low | 147 Ų | 147 | 134.2 Ų | 134.2 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | | | trans | -98.7 | 98.3 | 169.6 | -172.3 | 0 | 0 | 0 | 0 | 107.4 | G83 | G83-V85 PolarHBondContact O-N 3.24Š|
| 86 | S | 43.2 | Very low | 44.9 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -77.9 | 127.7 | 173.4 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 87 | G | 37.6 | Very low | 45.2 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | 86.3 | 97.7 | 146.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 88 | G | 39.5 | Very low | 45.4 | Very low | 80 Ų | 80 | 140.9 Ų | 140.9 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | -177.2 | 80.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E90 | G88-E90 PolarHBondContact O-N 3.1Š|
| 89 | S | 40.7 | Very low | 45.8 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | -69.1 | 109.1 | -176.7 | 172.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 90 | E | 44.5 | Very low | 46.4 | Very low | 187 Ų | 187 | 138.5 Ų | 138.5 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | | | trans | -141.9 | 105.3 | 157.1 | -69.3 | -167.2 | 161.5 | 0 | 0 | 111.8 | G88 | G88-E90 PolarHBondContact O-N 3.1Š|
| 91 | S | 39.8 | Very low | 46.8 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | | | trans | 52.4 | 98 | 139.1 | -162.8 | 0 | 0 | 0 | 0 | 120.3 | | |
| 92 | S | 38 | Very low | 46.9 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | | 55.2 | 84.1 | 123.1 | -53.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 93 | R | 43.4 | Very low | 47 | Very low | 240 Ų | 240 | 139.2 Ų | 139.2 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | | | trans | -170 | 85 | 135.4 | -103.4 | 164.3 | -179.3 | 162.5 | 1.5 | 109.6 | V95 | R93-V95 PolarHBondContact O-N 3.42Š|
| 94 | T | 44.1 | Very low | 46.5 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -73.9 | 91.8 | 171 | 49.9 | 0 | 0 | 0 | 0 | 109.3 | R96 | T94-R96 VanDerWaalsContact C-N 3.28Å; T94-R96 PolarHBondContact O-N 2.86Å |
| 95 | V | 49.9 | Very low | 46.5 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | | | trans | -74.6 | 91 | 162.4 | -177.4 | 0 | 0 | 0 | 0 | 106.5 | R93 R97 | R93-V95 PolarHBondContact O-N 3.42Å; V95-R97 VanDerWaalsContact C-N 3.32Å; V95-R97 HydrophobicContact CG1-CG 4.21Å; V95-R97 PolarHBondContact O-N 3.42Å |
| 96 | R | 48.2 | Very low | 46.3 | Very low | 212 Ų | 212 | 140.4 Ų | 140.4 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | | | trans | -64.1 | 95.4 | 166.7 | -71.7 | -176.6 | 172.8 | -174.1 | -2 | 107.4 | T94 E98 | T94-R96 VanDerWaalsContact C-N 3.28Å; T94-R96 PolarHBondContact O-N 2.86Å; R96-E98 VanDerWaalsContact C-N 3.29Å; R96-E98 PolarHBondContact O-N 3.25Å |
| 97 | R | 55.5 | Low | 46.3 | Very low | 222 Ų | 222 | 141.7 Ų | 141.7 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | trans | -80.1 | 88.9 | 159.3 | -76 | -177 | 178.5 | 160.4 | -0.9 | 106.5 | V95 V99 | V95-R97 VanDerWaalsContact C-N 3.32Å; V95-R97 HydrophobicContact CG1-CG 4.21Å; V95-R97 PolarHBondContact O-N 3.42Å; R97-V99 PolarHBondContact O-N 3.12Å; R97-V99 VanDerWaalsContact O-N 3.14Å |
| 98 | E | 48.3 | Very low | 47.1 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | | | trans | -63 | 107 | 158.6 | -81.8 | 175.5 | 170.1 | 0 | 0 | 106.9 | R96 I100 | R96-E98 VanDerWaalsContact C-N 3.29Å; R96-E98 PolarHBondContact O-N 3.25Å; E98-I100 VanDerWaalsContact C-N 3.27Å; E98-I100 HydrophobicContact CB-CG1 4.4Å; E98-I100 PolarHBondContact O-N 3.14Å; E98-I100 VanDerWaalsContact O-N 3.15Å |
| 99 | V | 56.7 | Low | 47.5 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | -77 | 92.7 | 161.7 | -179.1 | 0 | 0 | 0 | 0 | 104.7 | R97 I101 | R97-V99 PolarHBondContact O-N 3.12Å; R97-V99 VanDerWaalsContact O-N 3.14Å; V99-I101 VanDerWaalsContact C-N 3.29Å; V99-I101 HydrophobicContact CG1-CG1 3.85Å; V99-I101 PolarHBondContact O-N 3.44Å |
| 100 | I | 58 | Low | 48 | Very low | 128 Ų | 128 | 151.4 Ų | 151.4 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | | | trans | -67.5 | 97.4 | 167 | -58 | 174.2 | 0 | 0 | 0 | 105.2 | E98 D102 | E98-I100 VanDerWaalsContact C-N 3.27Å; E98-I100 HydrophobicContact CB-CG1 4.4Å; E98-I100 PolarHBondContact O-N 3.14Å; E98-I100 VanDerWaalsContact O-N 3.15Å; I100-D102 PolarHBondContact O-N 2.99Å |
| 101 | I | 57.8 | Low | 48.1 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 70% | 0.703 | 77% | 0.771 | S | S | * | * | | | trans | -80.8 | 99.1 | 163.4 | -57.3 | 177 | 0 | 0 | 0 | 103.9 | V99 P103 | V99-I101 VanDerWaalsContact C-N 3.29Å; V99-I101 HydrophobicContact CG1-CG1 3.85Å; V99-I101 PolarHBondContact O-N 3.44Å; I101-P103 WeakPolarHBondContact O-CD 3.13Å; I101-P103 VanDerWaalsContact O-N 3.09Å |
| 102 | D | 52.9 | Low | 48.6 | Very low | 135 Ų | 135 | 148 Ų | 148 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | | | trans | -56.7 | 112.1 | 171.4 | -84.5 | -34.2 | 0 | 0 | 0 | 108.5 | I100 G104 | I100-D102 PolarHBondContact O-N 2.99Å; D102-G104 VanDerWaalsContact C-N 3.27Å; D102-G104 PolarHBondContact O-N 3Å; D102-G104 VanDerWaalsContact O-N 3.1Å |
| 103 | P | 46.5 | Very low | 49.3 | Very low | 130 Ų | 130 | 151.1 Ų | 151.1 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | | | trans | -87.5 | 76.3 | 175.7 | 33.4 | -23.2 | 0 | 0 | 0 | 106.6 | I101 | I101-P103 WeakPolarHBondContact O-CD 3.13Å; I101-P103 VanDerWaalsContact O-N 3.09Å |
| 104 | G | 41.6 | Very low | 49.5 | Very low | 66 Ų | 66 | 151.4 Ų | 151.4 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | | | trans | 179.1 | 57.1 | -171 | 0 | 0 | 0 | 0 | 0 | 115.5 | D102 | D102-G104 VanDerWaalsContact C-N 3.27Å; D102-G104 PolarHBondContact O-N 3Å; D102-G104 VanDerWaalsContact O-N 3.1Å |
| 105 | Q | 43.4 | Very low | 50 | Low | 178 Ų | 178 | 154.6 Ų | 154.6 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | -151.2 | 75.5 | 149.2 | -145.1 | 173.6 | -18.3 | 0 | 0 | 110 | | |
| 106 | E | 43 | Very low | 49.9 | Very low | 179 Ų | 179 | 157.8 Ų | 157.8 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | | | trans | -66.1 | 161.6 | 140 | -68.7 | -178.5 | 166.9 | 0 | 0 | 107.2 | | |
| 107 | D | 42.7 | Very low | 50.2 | Low | 145 Ų | 145 | 154.5 Ų | 154.5 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | | | trans | 94.6 | 108.3 | -169.7 | -46.9 | -26.9 | 0 | 0 | 0 | 111.5 | | |
| 108 | S | 54.7 | Low | 49.9 | Very low | 111 Ų | 111 | 148.8 Ų | 148.8 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | cis | -170.7 | 146.8 | 31.9 | 41.8 | 0 | 0 | 0 | 0 | 110.1 | E110 | S108-E110 PolarHBondContact O-N 3.1Š|
| 109 | E | 48.8 | Very low | 50.2 | Low | 187 Ų | 187 | 150.5 Ų | 150.5 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | trans | -63.7 | 91.2 | 171.3 | -65.9 | 176 | 144 | 0 | 0 | 110.9 | T111 | E109-T111 VanDerWaalsContact C-N 3.35Å; E109-T111 PolarHBondContact O-N 3.14Å; E109-T111 VanDerWaalsContact O-N 3.12Å |
| 110 | E | 49.6 | Very low | 50.1 | Low | 188 Ų | 188 | 151 Ų | 151 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | | | trans | -85.6 | 86.7 | 166.7 | -154.7 | 171.3 | -171.7 | 0 | 0 | 109.9 | S108 | S108-E110 PolarHBondContact O-N 3.1Š|
| 111 | T | 47.3 | Very low | 50 | Low | 101 Ų | 101 | 155.7 Ų | 155.7 | 62% | 0.62 | 79% | 0.785 | S | S | * | * | | | trans | -59.4 | 171 | 157.6 | 55.2 | 0 | 0 | 0 | 0 | 110.6 | E109 | E109-T111 VanDerWaalsContact C-N 3.35Å; E109-T111 PolarHBondContact O-N 3.14Å; E109-T111 VanDerWaalsContact O-N 3.12Å |
| 112 | V | 50.1 | Low | 49.9 | Very low | 119 Ų | 119 | 158.2 Ų | 158.2 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | | | trans | 77.6 | 121.6 | 170.4 | -130.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 113 | Q | 52.3 | Low | 50.1 | Low | 175 Ų | 175 | 158.5 Ų | 158.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | cis | -163.7 | 128.9 | 46.4 | -76.3 | 173.3 | 30.1 | 0 | 0 | 111.8 | | |
| 114 | R | 47.5 | Very low | 50.7 | Low | 247 Ų | 247 | 159.1 Ų | 159.1 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | | | trans | -16.9 | 124.9 | 151.1 | -59.3 | 167 | 177.8 | -163.7 | -2.3 | 115.6 | | |
| 115 | K | 55.3 | Low | 51.4 | Low | 198 Ų | 198 | 163.8 Ų | 163.8 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | | | trans | -140.8 | 90.1 | 141.1 | -103.1 | 178.2 | -173.8 | 173.9 | 0 | 110.8 | I117 | K115-I117 PolarHBondContact O-N 2.99Š|
| 116 | K | 48.4 | Very low | 52 | Low | 186 Ų | 186 | 161 Ų | 161 | 81% | 0.809 | 79% | 0.788 | S | S | * | * | | | trans | -69.9 | 108.9 | 164.4 | 179.5 | 178.3 | -177.4 | -178.9 | 0 | 107.6 | V118 | K116-V118 HydrophobicContact CD-CG2 4.34Å; K116-V118 HydrophobicContact CG-CG2 3.87Å |
| 117 | I | 54.5 | Low | 52.7 | Low | 143 Ų | 143 | 158 Ų | 158 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | | | trans | -111.5 | 91.5 | 166.3 | -59.3 | 177.6 | 0 | 0 | 0 | 107 | K115 | K115-I117 PolarHBondContact O-N 2.99Š|
| 118 | V | 49 | Very low | 52.7 | Low | 102 Ų | 102 | 155.3 Ų | 155.3 | 62% | 0.618 | 78% | 0.782 | S | S | * | * | | | trans | -78.7 | 111.6 | 167 | 170.8 | 0 | 0 | 0 | 0 | 106.3 | K116 T120 | K116-V118 HydrophobicContact CD-CG2 4.34Å; K116-V118 HydrophobicContact CG-CG2 3.87Å; V118-T120 HydrophobicContact CG1-CG2 4.45Å |
| 119 | K | 55.1 | Low | 52.5 | Low | 186 Ų | 186 | 159.3 Ų | 159.3 | 81% | 0.809 | 79% | 0.788 | S | S | * | * | | | trans | -100.1 | 101.1 | 169.7 | -141.7 | 174.1 | -172.7 | 178.7 | 0 | 107.6 | | |
| 120 | T | 54.2 | Low | 52.4 | Low | 129 Ų | 129 | 158.5 Ų | 158.5 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | -56.2 | 136 | 169.5 | 40.6 | 0 | 0 | 0 | 0 | 109.6 | V118 | V118-T120 HydrophobicContact CG1-CG2 4.45Š|
| 121 | R | 55.3 | Low | 52.2 | Low | 228 Ų | 228 | 158.1 Ų | 158.1 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | -121.9 | 126.7 | 164.1 | -68.7 | -174 | -178.3 | -176.7 | 0.2 | 106.7 | I123 | R121-I123 PolarHBondContact O-N 3.36Š|
| 122 | E | 54.9 | Low | 52 | Low | 189 Ų | 189 | 158.2 Ų | 158.2 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | | | trans | -51 | 124.1 | 176.4 | -86.5 | 170.5 | 132.4 | 0 | 0 | 110.5 | I124 | E122-I124 PolarHBondContact O-N 3.15Š|
| 123 | I | 57.2 | Low | 52 | Low | 141 Ų | 141 | 156.8 Ų | 156.8 | 72% | 0.723 | 78% | 0.783 | S | S | * | * | | | trans | -83.4 | 107 | 163.5 | -56.3 | 174.6 | 0 | 0 | 0 | 104.6 | R121 E125 | R121-I123 PolarHBondContact O-N 3.36Å; I123-E125 VanDerWaalsContact C-N 3.26Å; I123-E125 HydrophobicContact CG2-CG 3.73Å; I123-E125 PolarHBondContact O-N 3.36Å |
| 124 | I | 59.6 | Low | 51.6 | Low | 143 Ų | 143 | 154.2 Ų | 154.2 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | | | trans | -74.8 | 91.2 | 165.6 | -58.9 | 174.4 | 0 | 0 | 0 | 105.6 | E122 V126 | E122-I124 PolarHBondContact O-N 3.15Å; I124-V126 HydrophobicContact CG2-CG2 3.96Å; I124-V126 PolarHBondContact O-N 3.05Å; I124-V126 VanDerWaalsContact O-N 3.17Å |
| 125 | E | 56.1 | Low | 51.7 | Low | 165 Ų | 165 | 152.2 Ų | 152.2 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | | | trans | -71.9 | 98.3 | 166.4 | -70.2 | -176.2 | 168 | 0 | 0 | 107.6 | I123 | I123-E125 VanDerWaalsContact C-N 3.26Å; I123-E125 HydrophobicContact CG2-CG 3.73Å; I123-E125 PolarHBondContact O-N 3.36Å |
| 126 | V | 56.7 | Low | 51.2 | Low | 118 Ų | 118 | 149.8 Ų | 149.8 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 122.9 | 167.9 | -179.2 | 0 | 0 | 0 | 0 | 107 | I124 | I124-V126 HydrophobicContact CG2-CG2 3.96Å; I124-V126 PolarHBondContact O-N 3.05Å; I124-V126 VanDerWaalsContact O-N 3.17Å |
| 127 | P | 56.6 | Low | 51.4 | Low | 117 Ų | 117 | 152.4 Ų | 152.4 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 141.2 | -175.9 | 24.1 | -31.9 | 0 | 0 | 0 | 111.8 | | |
| 128 | A | 43.6 | Very low | 51.4 | Low | 88 Ų | 88 | 154.9 Ų | 154.9 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 130.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 129 | E | 50.9 | Low | 51.7 | Low | 195 Ų | 195 | 155.9 Ų | 155.9 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | | | trans | -125.4 | 104.7 | 142.3 | -68 | -152.7 | -178 | 0 | 0 | 107.4 | | |
| 130 | E | 45.1 | Very low | 52.1 | Low | 170 Ų | 170 | 153.6 Ų | 153.6 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | trans | -63.1 | 166.6 | 160.5 | -66.3 | -165.9 | 161.5 | 0 | 0 | 109.3 | | |
| 131 | E | 46.1 | Very low | 52 | Low | 180 Ų | 180 | 155.3 Ų | 155.3 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | | | trans | 93.3 | 110.9 | 165.5 | -50.1 | -167.5 | 166.4 | 0 | 0 | 116.9 | | |
| 132 | S | 42.7 | Very low | 52.5 | Low | 103 Ų | 103 | 154.1 Ų | 154.1 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | | | | 94.4 | 95.6 | 125.9 | -162.5 | 0 | 0 | 0 | 0 | 117.9 | | |
| 133 | S | 50 | Low | 53.3 | Low | 89 Ų | 89 | 156.1 Ų | 156.1 | 62% | 0.622 | 80% | 0.796 | S | S | * | * | | | | 84.7 | 121.5 | 123.1 | 81.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 134 | T | 45 | Very low | 53.7 | Low | 122 Ų | 122 | 155.6 Ų | 155.6 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | trans | 64.3 | 102.7 | 140.6 | 61.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 135 | K | 48.5 | Very low | 54.2 | Low | 205 Ų | 205 | 154.6 Ų | 154.6 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | | | | -176.4 | 109.5 | 127.9 | -102.1 | 155.3 | -176.9 | 171.3 | 0 | 112.2 | | |
| 136 | T | 44.5 | Very low | 55.1 | Low | 147 Ų | 147 | 154 Ų | 154 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | trans | -50.8 | 127.4 | 155.6 | 33.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 137 | R | 54 | Low | 55.7 | Low | 240 Ų | 240 | 154.6 Ų | 154.6 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | | | trans | -141.6 | 114.7 | 164.3 | -160.3 | 171.6 | -174.5 | 174.2 | 1 | 111 | | |
| 138 | K | 54.1 | Low | 56.2 | Low | 195 Ų | 195 | 155.5 Ų | 155.5 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | trans | -65 | 147.2 | 172.5 | -63.6 | 172 | 173.9 | 177.4 | 0 | 111 | | |
| 139 | T | 56.2 | Low | 57.2 | Low | 124 Ų | 124 | 158.8 Ų | 158.8 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | | | trans | 175.3 | 140.9 | 143.7 | 35.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 140 | I | 62.4 | Low | 57.6 | Low | 138 Ų | 138 | 154 Ų | 154 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | | | cis | -163.1 | 134 | -7.1 | -88.8 | 154.2 | 0 | 0 | 0 | 104.2 | | |
| 141 | N | 52 | Low | 58.3 | Low | 165 Ų | 165 | 153.3 Ų | 153.3 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | | | trans | -81 | 138.5 | 171.1 | -89.9 | -15.7 | 0 | 0 | 0 | 110.7 | | |
| 142 | K | 67.2 | Low | 59 | Low | 202 Ų | 202 | 151 Ų | 151 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | | | trans | -116.5 | 112.4 | 160.6 | -74.6 | -172.7 | 178.3 | -177.4 | 0 | 109.1 | | |
| 143 | R | 69.9 | Low | 60.3 | Low | 231 Ų | 231 | 150.5 Ų | 150.5 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | | | trans | -107.8 | 126.8 | 168.3 | -130 | -178.3 | -166.5 | 172.7 | 2.6 | 106.4 | | |
| 144 | T | 66.4 | Low | 60.6 | Low | 131 Ų | 131 | 155 Ų | 155 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -99 | 118.7 | 172.9 | -29.6 | 0 | 0 | 0 | 0 | 107 | | |
| 145 | I | 71.1 | Confident | 61.3 | Low | 121 Ų | 121 | 156.6 Ų | 156.6 | 62% | 0.621 | 80% | 0.796 | S | S | * | * | | | trans | -117.3 | 127 | 171 | -58 | 174.2 | 0 | 0 | 0 | 105 | | |
| 146 | I | 74.1 | Confident | 61.6 | Low | 152 Ų | 152 | 158.4 Ų | 158.4 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | | | trans | -103.4 | 103.9 | 175.1 | -59.3 | 171.1 | 0 | 0 | 0 | 104.7 | | |
| 147 | D | 70.1 | Confident | 62.5 | Low | 131 Ų | 131 | 159 Ų | 159 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | | | trans | -93.1 | 109.9 | 169.2 | -65 | -40.3 | 0 | 0 | 0 | 106.7 | D149 | D147-D149 PolarHBondContact O-N 2.96Š|
| 148 | D | 67.3 | Low | 62.9 | Low | 137 Ų | 137 | 154.7 Ų | 154.7 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | | | trans | -93.5 | 75.4 | 177.8 | -162.7 | 7.1 | 0 | 0 | 0 | 108.1 | S150 | D148-S150 VanDerWaalsContact C-N 3.31Å; D148-S150 PolarHBondContact O-N 3.06Å |
| 149 | D | 62.8 | Low | 63.4 | Low | 157 Ų | 157 | 152.5 Ų | 152.5 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | | | trans | -79.6 | 82.2 | 175.5 | -78.7 | -24.7 | 0 | 0 | 0 | 109.4 | D147 D151 | D147-D149 PolarHBondContact O-N 2.96Å; D149-D151 PolarHBondContact O-N 3.23Å |
| 150 | S | 59.4 | Low | 63.8 | Low | 95 Ų | 95 | 154.2 Ų | 154.2 | 66% | 0.664 | 80% | 0.803 | S | S | * | * | | | trans | -81.7 | 89 | 164.7 | -71.2 | 0 | 0 | 0 | 0 | 109.8 | D148 | D148-S150 VanDerWaalsContact C-N 3.31Å; D148-S150 PolarHBondContact O-N 3.06Å |
| 151 | D | 60.5 | Low | 63.9 | Low | 155 Ų | 155 | 155.2 Ų | 155.2 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | | | trans | -153.1 | 81.6 | 160.2 | -95.3 | -28.7 | 0 | 0 | 0 | 110.1 | D149 | D149-D151 PolarHBondContact O-N 3.23Š|
| 152 | S | 61.9 | Low | 64.7 | Low | 130 Ų | 130 | 154.5 Ų | 154.5 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | | | trans | -94.1 | 92.1 | 161.6 | 67.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 153 | S | 69.1 | Low | 64.5 | Low | 94 Ų | 94 | 151.1 Ų | 151.1 | 66% | 0.657 | 80% | 0.799 | S | S | * | * | | | trans | -125.6 | 142.8 | 163.5 | 62.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 154 | F | 57.2 | Low | 64.1 | Low | 183 Ų | 183 | 145 Ų | 145 | 80% | 0.803 | 79% | 0.793 | S | S | * | * | | | trans | 73.1 | 137.8 | 171.6 | -101.4 | -125.5 | 0 | 0 | 0 | 114.9 | | |
| 155 | E | 59.1 | Low | 63.9 | Low | 155 Ų | 155 | 146.2 Ų | 146.2 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | | | cis | -172.3 | 135.9 | 25.8 | -152.6 | 168 | -152.1 | 0 | 0 | 107.3 | | |
| 156 | I | 54.6 | Low | 63.3 | Low | 244 Ų | 244 | 148.5 Ų | 148.5 | 100% | 1.251 | 81% | 0.808 | S | S | * | * | | | trans | -173.3 | 0 | 137.3 | -83.4 | 154.5 | 0 | 0 | 0 | 106.3 | | |