| 1 | M | 41.3 | Very low | 56.8 | Low | 226 Ų | 226 | 127.6 Ų | 127.6 | 100% | 1.113 | 66% | 0.658 | S | S | * | * | | | | 0 | 88.5 | 0 | -69.3 | 176 | 176.7 | 0 | 0 | 106.2 | I3 | M1-I3 PolarHBondContact O-N 3.38Š|
| 2 | D | 50.1 | Low | 57.9 | Low | 162 Ų | 162 | 123.8 Ų | 123.8 | 87% | 0.866 | 65% | 0.65 | S | S | * | * | | | trans | -72.1 | 121.4 | 179.2 | -58 | -84.6 | 0 | 0 | 0 | 108.6 | P4 | D2-P4 WeakPolarHBondContact O-CD 3.3Š|
| 3 | I | 53.7 | Low | 58.8 | Low | 135 Ų | 135 | 123.7 Ų | 123.7 | 69% | 0.692 | 65% | 0.649 | S | S | * | * | | | trans | -85 | 105.2 | -171.6 | -68.4 | 137 | 0 | 0 | 0 | 107.3 | M1 I5 | M1-I3 PolarHBondContact O-N 3.38Å; I3-I5 HydrophobicContact CB-CG1 4.47Å; I3-I5 HydrophobicContact CG2-CB 3.69Å; I3-I5 HydrophobicContact CG2-CD1 4.42Å; I3-I5 HydrophobicContact CG2-CG1 3.1Å; I3-I5 PolarHBondContact O-N 3.48Å |
| 4 | P | 53.3 | Low | 59.3 | Low | 108 Ų | 108 | 123.6 Ų | 123.6 | 70% | 0.701 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 47 | -175.6 | 37.4 | -32.8 | 0 | 0 | 0 | 110.2 | D2 | D2-P4 WeakPolarHBondContact O-CD 3.3Š|
| 5 | I | 57 | Low | 60.2 | Low | 95 Ų | 95 | 123.5 Ų | 123.5 | 49% | 0.487 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.6 | -36 | -174.9 | -68.3 | -74.6 | 0 | 0 | 0 | 109.7 | I3 D9 | I3-I5 HydrophobicContact CB-CG1 4.47Å; I3-I5 HydrophobicContact CG2-CB 3.69Å; I3-I5 HydrophobicContact CG2-CD1 4.42Å; I3-I5 HydrophobicContact CG2-CG1 3.1Å; I3-I5 PolarHBondContact O-N 3.48Å; I5-D9 WeakPolarHBondContact CG2-OD2 3.35Å; I5-D9 WeakPolarHBondContact O-CB 3.4Å; I5-D9 PolarHBondContact O-N 2.97Å |
| 6 | S | 59.8 | Low | 61.1 | Low | 79 Ų | 79 | 119.1 Ų | 119.1 | 55% | 0.552 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.3 | -56 | -172.1 | -168.4 | 0 | 0 | 0 | 0 | 113.8 | R8 D9 F10 | S6-R8 PolarHBondContact O-N 3.4Å; S6-D9 PolarHBondContact O-N 3.48Å; S6-F10 VanDerWaalsContact O-CD2 3.26Å; S6-F10 WeakPolarHBondContact O-CD2 3.39Å; S6-F10 PolarHBondContact O-N 3.47Å; S6-F10 VanDerWaalsContact O-N 3.16Å |
| 7 | S | 57.7 | Low | 61.8 | Low | 79 Ų | 79 | 117.4 Ų | 117.4 | 55% | 0.552 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -61.9 | -43.7 | -174.4 | 170.3 | 0 | 0 | 0 | 0 | 113.2 | D9 F10 H11 | S7-D9 VanDerWaalsContact C-N 3.35Å; S7-D9 PolarHBondContact O-N 3.08Å; S7-F10 PolarHBondContact O-N 3.48Å; S7-H11 PolarHBondContact O-CD2 3.18Å; S7-H11 PolarHBondContact O-N 3.49Å; S7-H11 PolarHBondContact OG-CD2 3.05Å |
| 8 | R | 62.8 | Low | 62.4 | Low | 182 Ų | 182 | 115.4 Ų | 115.4 | 69% | 0.687 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.7 | -36.9 | -178.9 | -110.7 | 170.7 | 54.8 | 177.4 | -3.8 | 112.6 | S6 H11 C12 | S6-R8 PolarHBondContact O-N 3.4Å; R8-H11 PolarHBondContact O-N 2.83Å; R8-C12 VanDerWaalsContact O-CB 3.27Å; R8-C12 WeakPolarHBondContact O-CB 3.42Å; R8-C12 PolarHBondContact O-N 3.4Å |
| 9 | D | 61.4 | Low | 63 | Low | 85 Ų | 85 | 112.1 Ų | 112.1 | 46% | 0.455 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -71.2 | -37.2 | 178.7 | -70.7 | -31.9 | 0 | 0 | 0 | 112.3 | I5 S6 S7 C12 L13 | I5-D9 WeakPolarHBondContact CG2-OD2 3.35Å; I5-D9 WeakPolarHBondContact O-CB 3.4Å; I5-D9 PolarHBondContact O-N 2.97Å; S6-D9 PolarHBondContact O-N 3.48Å; S7-D9 VanDerWaalsContact C-N 3.35Å; S7-D9 PolarHBondContact O-N 3.08Å; D9-C12 PolarHBondContact O-N 3.25Å; D9-L13 VanDerWaalsContact O-CB 3.24Å; D9-L13 WeakPolarHBondContact O-CB 3.45Å; D9-L13 PolarHBondContact O-N 3.36Å |
| 10 | F | 62.1 | Low | 63.7 | Low | 147 Ų | 147 | 112.3 Ų | 112.3 | 65% | 0.645 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.9 | -41 | 172.4 | -85.8 | -87.9 | 0 | 0 | 0 | 111.7 | S6 S7 Q14 | S6-F10 VanDerWaalsContact O-CD2 3.26Å; S6-F10 WeakPolarHBondContact O-CD2 3.39Å; S6-F10 PolarHBondContact O-N 3.47Å; S6-F10 VanDerWaalsContact O-N 3.16Å; S7-F10 PolarHBondContact O-N 3.48Å; F10-Q14 WeakPolarHBondContact O-CB 3.49Å; F10-Q14 PolarHBondContact O-N 3.45Å |
| 11 | H | 65.4 | Low | 64.1 | Low | 106 Ų | 106 | 108.8 Ų | 108.8 | 49% | 0.491 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.3 | -40.1 | 174.6 | -72.6 | -61.8 | 0 | 0 | 0 | 112.5 | S7 R8 Q14 L15 | S7-H11 PolarHBondContact O-CD2 3.18Å; S7-H11 PolarHBondContact O-N 3.49Å; S7-H11 PolarHBondContact OG-CD2 3.05Å; R8-H11 PolarHBondContact O-N 2.83Å; H11-Q14 PolarHBondContact O-N 3.44Å; H11-L15 WeakPolarHBondContact O-CB 3.36Å; H11-L15 PolarHBondContact O-N 2.98Å |
| 12 | C | 70.1 | Confident | 65.4 | Low | 82 Ų | 82 | 101.8 Ų | 101.8 | 55% | 0.554 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.7 | -45.5 | 173.8 | -93.6 | 0 | 0 | 0 | 0 | 111.5 | R8 D9 L15 A16 | R8-C12 VanDerWaalsContact O-CB 3.27Å; R8-C12 WeakPolarHBondContact O-CB 3.42Å; R8-C12 PolarHBondContact O-N 3.4Å; D9-C12 PolarHBondContact O-N 3.25Å; C12-L15 PolarHBondContact O-N 2.98Å; C12-A16 VanDerWaalsContact O-CB 3.28Å; C12-A16 WeakPolarHBondContact O-CB 3.47Å; C12-A16 PolarHBondContact O-N 3Å |
| 13 | L | 70.3 | Confident | 66.5 | Low | 122 Ų | 122 | 98.2 Ų | 98.2 | 64% | 0.639 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.7 | -38.2 | 178.8 | -173.6 | 61 | 0 | 0 | 0 | 111.5 | D9 A16 C17 | D9-L13 VanDerWaalsContact O-CB 3.24Å; D9-L13 WeakPolarHBondContact O-CB 3.45Å; D9-L13 PolarHBondContact O-N 3.36Å; L13-A16 PolarHBondContact O-N 2.95Å; L13-C17 WeakPolarHBondContact O-CB 3.25Å; L13-C17 PolarHBondContact O-N 3.37Å |
| 14 | Q | 65.8 | Low | 67.2 | Low | 123 Ų | 123 | 94.2 Ų | 94.2 | 58% | 0.575 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.1 | -46 | 174.7 | -173.4 | 176.4 | 93 | 0 | 0 | 111.5 | F10 H11 A16 C17 V18 | F10-Q14 WeakPolarHBondContact O-CB 3.49Å; F10-Q14 PolarHBondContact O-N 3.45Å; H11-Q14 PolarHBondContact O-N 3.44Å; Q14-A16 VanDerWaalsContact C-N 3.32Å; Q14-A16 PolarHBondContact O-N 2.68Å; Q14-C17 PolarHBondContact O-N 3.46Å; Q14-V18 VanDerWaalsContact O-CG2 3.31Å; Q14-V18 WeakPolarHBondContact O-CG2 3.46Å; Q14-V18 PolarHBondContact O-N 2.78Å |
| 15 | L | 71.9 | Confident | 67.7 | Low | 122 Ų | 122 | 90 Ų | 90 | 64% | 0.639 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.9 | -42.9 | 173.6 | -108.1 | 72.4 | 0 | 0 | 0 | 111.3 | H11 C12 C17 V18 A19 | H11-L15 WeakPolarHBondContact O-CB 3.36Å; H11-L15 PolarHBondContact O-N 2.98Å; C12-L15 PolarHBondContact O-N 2.98Å; L15-C17 VanDerWaalsContact C-N 3.33Å; L15-C17 PolarHBondContact O-N 2.96Å; L15-V18 PolarHBondContact O-N 3.3Å; L15-A19 WeakPolarHBondContact O-CB 3.37Å; L15-A19 PolarHBondContact O-N 3.27Å |
| 16 | A | 74.4 | Confident | 67.9 | Low | 53 Ų | 53 | 88.1 Ų | 88.1 | 44% | 0.438 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | C12 L13 Q14 A19 L20 | C12-A16 VanDerWaalsContact O-CB 3.28Å; C12-A16 WeakPolarHBondContact O-CB 3.47Å; C12-A16 PolarHBondContact O-N 3Å; L13-A16 PolarHBondContact O-N 2.95Å; Q14-A16 VanDerWaalsContact C-N 3.32Å; Q14-A16 PolarHBondContact O-N 2.68Å; A16-A19 PolarHBondContact O-N 3.28Å; A16-L20 VanDerWaalsContact O-CB 3.26Å; A16-L20 WeakPolarHBondContact O-CB 3.02Å; A16-L20 PolarHBondContact O-N 3.24Å |
| 17 | C | 72.9 | Confident | 68.2 | Low | 90 Ų | 90 | 89.6 Ų | 89.6 | 61% | 0.608 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.2 | -41.9 | 178.4 | -154.3 | 0 | 0 | 0 | 0 | 111.8 | L13 Q14 L15 L20 G21 | L13-C17 WeakPolarHBondContact O-CB 3.25Å; L13-C17 PolarHBondContact O-N 3.37Å; Q14-C17 PolarHBondContact O-N 3.46Å; L15-C17 VanDerWaalsContact C-N 3.33Å; L15-C17 PolarHBondContact O-N 2.96Å; C17-L20 PolarHBondContact O-N 2.92Å; C17-G21 PolarHBondContact O-N 3.24Å |
| 18 | V | 73.9 | Confident | 68.4 | Low | 81 Ų | 81 | 92.7 Ų | 92.7 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 174.2 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | Q14 L15 L20 G21 L22 | Q14-V18 VanDerWaalsContact O-CG2 3.31Å; Q14-V18 WeakPolarHBondContact O-CG2 3.46Å; Q14-V18 PolarHBondContact O-N 2.78Å; L15-V18 PolarHBondContact O-N 3.3Å; V18-L20 PolarHBondContact O-N 2.75Å; V18-G21 PolarHBondContact O-N 3.47Å; V18-L22 WeakPolarHBondContact O-CB 3.19Å; V18-L22 PolarHBondContact O-N 2.91Å |
| 19 | A | 73.2 | Confident | 68.1 | Low | 52 Ų | 52 | 89.7 Ų | 89.7 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L15 A16 L22 V23 | L15-A19 WeakPolarHBondContact O-CB 3.37Å; L15-A19 PolarHBondContact O-N 3.27Å; A16-A19 PolarHBondContact O-N 3.28Å; A19-L22 PolarHBondContact O-N 2.88Å; A19-V23 WeakPolarHBondContact O-CB 3.13Å; A19-V23 WeakPolarHBondContact O-CG2 3.24Å; A19-V23 PolarHBondContact O-N 2.83Å |
| 20 | L | 75.9 | Confident | 67.5 | Low | 116 Ų | 116 | 88.1 Ų | 88.1 | 61% | 0.607 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68 | -40.2 | 176 | -176.1 | 61.2 | 0 | 0 | 0 | 112 | A16 C17 V18 V23 A24 | A16-L20 VanDerWaalsContact O-CB 3.26Å; A16-L20 WeakPolarHBondContact O-CB 3.02Å; A16-L20 PolarHBondContact O-N 3.24Å; C17-L20 PolarHBondContact O-N 2.92Å; V18-L20 PolarHBondContact O-N 2.75Å; L20-V23 PolarHBondContact O-N 3.34Å; L20-A24 VanDerWaalsContact O-CB 3.27Å; L20-A24 WeakPolarHBondContact O-CB 3.4Å; L20-A24 PolarHBondContact O-N 2.78Å |
| 21 | G | 73 | Confident | 66.9 | Low | 40 Ų | 40 | 89.3 Ų | 89.3 | 41% | 0.412 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C17 V18 G25 | C17-G21 PolarHBondContact O-N 3.24Å; V18-G21 PolarHBondContact O-N 3.47Å; G21-G25 WeakPolarHBondContact O-CA 2.95Å; G21-G25 PolarHBondContact O-N 3.09Å |
| 22 | L | 69.4 | Low | 65.9 | Low | 79 Ų | 79 | 88.2 Ų | 88.2 | 41% | 0.414 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.5 | -46.3 | 171.6 | -170.5 | 89.3 | 0 | 0 | 0 | 110.7 | V18 A19 S26 V43 | V18-L22 WeakPolarHBondContact O-CB 3.19Å; V18-L22 PolarHBondContact O-N 2.91Å; A19-L22 PolarHBondContact O-N 2.88Å; L22-S26 WeakPolarHBondContact O-CA 3.2Å; L22-S26 WeakPolarHBondContact O-CB 3.22Å; L22-S26 PolarHBondContact O-N 3.43Å; L22-S26 PolarHBondContact O-OG 2.62Å; L22-V43 HydrophobicContact CD1-CB 4.5Å; L22-V43 HydrophobicContact CD1-CG1 4.05Å |
| 23 | V | 71.5 | Confident | 64.9 | Low | 87 Ų | 87 | 89.5 Ų | 89.5 | 53% | 0.527 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61 | -50.7 | 177.1 | 160.7 | 0 | 0 | 0 | 0 | 110.7 | A19 L20 S26 V27 | A19-V23 WeakPolarHBondContact O-CB 3.13Å; A19-V23 WeakPolarHBondContact O-CG2 3.24Å; A19-V23 PolarHBondContact O-N 2.83Å; L20-V23 PolarHBondContact O-N 3.34Å; V23-S26 PolarHBondContact O-N 2.82Å; V23-V27 VanDerWaalsContact O-CG2 3.27Å; V23-V27 WeakPolarHBondContact O-CG2 2.9Å; V23-V27 PolarHBondContact O-N 2.8Å |
| 24 | A | 69.1 | Low | 63.9 | Low | 50 Ų | 50 | 90.1 Ų | 90.1 | 41% | 0.413 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.8 | -45 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L20 S26 V27 I28 | L20-A24 VanDerWaalsContact O-CB 3.27Å; L20-A24 WeakPolarHBondContact O-CB 3.4Å; L20-A24 PolarHBondContact O-N 2.78Å; A24-S26 VanDerWaalsContact C-N 3.34Å; A24-S26 PolarHBondContact O-N 3.5Å; A24-V27 PolarHBondContact O-N 3.41Å; A24-I28 VanDerWaalsContact O-CG1 3.24Å; A24-I28 WeakPolarHBondContact O-CG1 3.08Å; A24-I28 PolarHBondContact O-N 2.94Å; A24-I28 VanDerWaalsContact O-N 3.09Å |
| 25 | G | 63.5 | Low | 63.2 | Low | 19 Ų | 19 | 93.3 Ų | 93.3 | 20% | 0.196 | 57% | 0.572 | C | S | . | * | H | α-helix | trans | -64.4 | -36.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G21 V27 I28 I29 | G21-G25 WeakPolarHBondContact O-CA 2.95Å; G21-G25 PolarHBondContact O-N 3.09Å; G25-V27 VanDerWaalsContact C-N 3.34Å; G25-I28 PolarHBondContact O-N 2.84Å; G25-I29 WeakPolarHBondContact O-CB 3.27Å; G25-I29 WeakPolarHBondContact O-CD1 3.27Å; G25-I29 WeakPolarHBondContact O-CG1 3.41Å; G25-I29 PolarHBondContact O-N 2.89Å |
| 26 | S | 62.4 | Low | 61.8 | Low | 57 Ų | 57 | 90.9 Ų | 90.9 | 40% | 0.399 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -71.1 | -28.8 | 175.8 | -60.3 | 0 | 0 | 0 | 0 | 112 | L22 V23 A24 G30 | L22-S26 WeakPolarHBondContact O-CA 3.2Å; L22-S26 WeakPolarHBondContact O-CB 3.22Å; L22-S26 PolarHBondContact O-N 3.43Å; L22-S26 PolarHBondContact O-OG 2.62Å; V23-S26 PolarHBondContact O-N 2.82Å; A24-S26 VanDerWaalsContact C-N 3.34Å; A24-S26 PolarHBondContact O-N 3.5Å; S26-G30 CarbonylContact O-C 3.6Å; S26-G30 WeakPolarHBondContact O-CA 3.35Å; S26-G30 PolarHBondContact O-N 3.34Å |
| 27 | V | 65.1 | Low | 60.6 | Low | 109 Ų | 109 | 92.9 Ų | 92.9 | 66% | 0.661 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -72.2 | -35.7 | 171.8 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | V23 A24 G25 | V23-V27 VanDerWaalsContact O-CG2 3.27Å; V23-V27 WeakPolarHBondContact O-CG2 2.9Å; V23-V27 PolarHBondContact O-N 2.8Å; A24-V27 PolarHBondContact O-N 3.41Å; G25-V27 VanDerWaalsContact C-N 3.34Å |
| 28 | I | 62.5 | Low | 59.2 | Low | 144 Ų | 144 | 93.6 Ų | 93.6 | 74% | 0.738 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74 | -33 | 178.5 | -61.8 | -82.3 | 0 | 0 | 0 | 111.9 | A24 G25 | A24-I28 VanDerWaalsContact O-CG1 3.24Å; A24-I28 WeakPolarHBondContact O-CG1 3.08Å; A24-I28 PolarHBondContact O-N 2.94Å; A24-I28 VanDerWaalsContact O-N 3.09Å; G25-I28 PolarHBondContact O-N 2.84Å |
| 29 | I | 56 | Low | 58 | Low | 120 Ų | 120 | 93.8 Ų | 93.8 | 62% | 0.615 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -107.2 | -20.8 | -172.6 | -59.6 | 160 | 0 | 0 | 0 | 112.8 | G25 S32 | G25-I29 WeakPolarHBondContact O-CB 3.27Å; G25-I29 WeakPolarHBondContact O-CD1 3.27Å; G25-I29 WeakPolarHBondContact O-CG1 3.41Å; G25-I29 PolarHBondContact O-N 2.89Å; I29-S32 PolarHBondContact O-OG 3.45Å |
| 30 | G | 48.2 | Very low | 57 | Low | 51 Ų | 51 | 98.6 Ų | 98.6 | 53% | 0.526 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.6 | 30 | -155.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | S26 | S26-G30 CarbonylContact O-C 3.6Å; S26-G30 WeakPolarHBondContact O-CA 3.35Å; S26-G30 PolarHBondContact O-N 3.34Å |
| 31 | I | 50.1 | Low | 55.8 | Low | 172 Ų | 172 | 95.5 Ų | 95.5 | 88% | 0.882 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -11.5 | 149 | 27.8 | 169.9 | 0 | 0 | 0 | 111.9 | | |
| 32 | S | 44.4 | Very low | 54.7 | Low | 84 Ų | 84 | 96.4 Ų | 96.4 | 59% | 0.587 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -105 | 93.3 | 177.7 | 38 | 0 | 0 | 0 | 0 | 113.3 | I29 | I29-S32 PolarHBondContact O-OG 3.45Š|
| 33 | V | 50.3 | Low | 54.1 | Low | 109 Ų | 109 | 95.9 Ų | 95.9 | 66% | 0.661 | 63% | 0.629 | S | S | * | * | | | trans | 72 | 99.6 | 139.2 | -167.3 | 0 | 0 | 0 | 0 | 116.2 | K35 | V33-K35 HydrophobicContact CG1-CB 4.29Å; V33-K35 PolarHBondContact O-N 3.48Å |
| 34 | S | 47.8 | Very low | 53.2 | Low | 134 Ų | 134 | 99.9 Ų | 99.9 | 94% | 0.937 | 64% | 0.639 | S | S | * | * | S | Bend | | 56.7 | -10.2 | 84.6 | -163.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 35 | K | 50.8 | Low | 52.5 | Low | 191 Ų | 191 | 102.8 Ų | 102.8 | 83% | 0.83 | 65% | 0.647 | S | S | * | * | | | trans | -165.2 | 59.8 | -178 | -161 | 175.2 | 168.4 | 175.7 | 0 | 115.2 | V33 | V33-K35 HydrophobicContact CG1-CB 4.29Å; V33-K35 PolarHBondContact O-N 3.48Å |
| 36 | A | 44.4 | Very low | 52 | Low | 70 Ų | 70 | 103.6 Ų | 103.6 | 58% | 0.579 | 66% | 0.656 | S | S | * | * | | | trans | -162.9 | 68.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A38 A39 | A36-A38 PolarHBondContact O-N 3.25Å; A36-A39 PolarHBondContact O-N 2.88Å |
| 37 | A | 48.8 | Very low | 51.6 | Low | 96 Ų | 96 | 103.7 Ų | 103.7 | 79% | 0.793 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -8.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 38 | A | 43.8 | Very low | 50.9 | Low | 105 Ų | 105 | 101.1 Ų | 101.1 | 87% | 0.868 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -13.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | A36 | A36-A38 PolarHBondContact O-N 3.25Š|
| 39 | A | 48.4 | Very low | 50.4 | Low | 84 Ų | 84 | 98 Ų | 98 | 69% | 0.694 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -102.5 | 6.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A36 G41 | A36-A39 PolarHBondContact O-N 2.88Å; A39-G41 PolarHBondContact O-N 2.82Å |
| 40 | M | 51.8 | Low | 50.3 | Low | 153 Ų | 153 | 98 Ų | 98 | 75% | 0.754 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 19.6 | 177.8 | -70.4 | -90.1 | -139.4 | 0 | 0 | 113.6 | | |
| 41 | G | 49.8 | Very low | 50.5 | Low | 51 Ų | 51 | 97.2 Ų | 97.2 | 53% | 0.526 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.7 | -14.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A39 | A39-G41 PolarHBondContact O-N 2.82Š|
| 42 | G | 51.4 | Low | 50.7 | Low | 59 Ų | 59 | 93.7 Ų | 93.7 | 61% | 0.608 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -79.7 | -27.7 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 43 | V | 55.6 | Low | 50.9 | Low | 68 Ų | 68 | 96.4 Ų | 96.4 | 41% | 0.412 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -76.2 | -25 | -176.9 | 173.8 | 0 | 0 | 0 | 0 | 112 | L22 | L22-V43 HydrophobicContact CD1-CB 4.5Å; L22-V43 HydrophobicContact CD1-CG1 4.05Å |
| 44 | F | 52.2 | Low | 50.9 | Low | 171 Ų | 171 | 101.3 Ų | 101.3 | 75% | 0.75 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -82.1 | -27.8 | -177.5 | -136.3 | -96.3 | 0 | 0 | 0 | 113.6 | G46 A47 A48 | F44-G46 VanDerWaalsContact C-N 3.31Å; F44-G46 PolarHBondContact O-N 3.45Å; F44-A47 PolarHBondContact O-N 2.85Å; F44-A48 PolarHBondContact O-N 3.47Å |
| 45 | I | 55.5 | Low | 50.8 | Low | 111 Ų | 111 | 99.1 Ų | 99.1 | 57% | 0.569 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.9 | -32.2 | 179.3 | -60.8 | -81.2 | 0 | 0 | 0 | 111.2 | A47 A48 V49 | I45-A47 PolarHBondContact O-N 3.42Å; I45-A48 PolarHBondContact O-N 2.9Å; I45-V49 HydrophobicContact CG2-CG2 4.17Å; I45-V49 WeakPolarHBondContact O-CB 3.32Å; I45-V49 WeakPolarHBondContact O-CG2 3.39Å; I45-V49 PolarHBondContact O-N 2.86Å |
| 46 | G | 52.1 | Low | 50.4 | Low | 37 Ų | 37 | 99.3 Ų | 99.3 | 38% | 0.381 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.5 | -36.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F44 L50 | F44-G46 VanDerWaalsContact C-N 3.31Å; F44-G46 PolarHBondContact O-N 3.45Å; G46-L50 WeakPolarHBondContact O-CB 3.31Å; G46-L50 WeakPolarHBondContact O-CG 3.2Å; G46-L50 PolarHBondContact O-N 3.42Å |
| 47 | A | 53.9 | Low | 50.6 | Low | 59 Ų | 59 | 99.6 Ų | 99.6 | 49% | 0.488 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -74.9 | -36.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F44 I45 G51 | F44-A47 PolarHBondContact O-N 2.85Å; I45-A47 PolarHBondContact O-N 3.42Å; A47-G51 PolarHBondContact O-N 3.38Å |
| 48 | A | 51.9 | Low | 50.5 | Low | 55 Ų | 55 | 103.2 Ų | 103.2 | 46% | 0.455 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66 | -38.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | F44 I45 S52 | F44-A48 PolarHBondContact O-N 3.47Å; I45-A48 PolarHBondContact O-N 2.9Å; A48-S52 VanDerWaalsContact O-CB 3.25Å; A48-S52 WeakPolarHBondContact O-CB 3.41Å; A48-S52 PolarHBondContact O-N 2.86Å; A48-S52 PolarHBondContact O-OG 2.83Å |
| 49 | V | 51.5 | Low | 50.6 | Low | 79 Ų | 79 | 102.7 Ų | 102.7 | 48% | 0.479 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -75.2 | -39.8 | 177.6 | 170.2 | 0 | 0 | 0 | 0 | 112 | I45 S52 L53 | I45-V49 HydrophobicContact CG2-CG2 4.17Å; I45-V49 WeakPolarHBondContact O-CB 3.32Å; I45-V49 WeakPolarHBondContact O-CG2 3.39Å; I45-V49 PolarHBondContact O-N 2.86Å; V49-S52 PolarHBondContact O-N 3.44Å; V49-L53 WeakPolarHBondContact O-CB 3.22Å; V49-L53 PolarHBondContact O-N 3.4Å |
| 50 | L | 54.2 | Low | 50.2 | Low | 118 Ų | 118 | 101.3 Ų | 101.3 | 62% | 0.618 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.3 | -31.3 | 175.9 | -73.7 | 168.6 | 0 | 0 | 0 | 112.6 | G46 R54 | G46-L50 WeakPolarHBondContact O-CB 3.31Å; G46-L50 WeakPolarHBondContact O-CG 3.2Å; G46-L50 PolarHBondContact O-N 3.42Å; L50-R54 WeakPolarHBondContact O-CB 3.28Å; L50-R54 PolarHBondContact O-N 2.98Å |
| 51 | G | 52.5 | Low | 49.8 | Very low | 35 Ų | 35 | 100 Ų | 100 | 36% | 0.361 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.2 | -37.7 | 168 | 0 | 0 | 0 | 0 | 0 | 112.4 | A47 I55 | A47-G51 PolarHBondContact O-N 3.38Å; G51-I55 WeakPolarHBondContact O-CB 3.33Å; G51-I55 VanDerWaalsContact O-CG1 3.22Å; G51-I55 WeakPolarHBondContact O-CG1 3.26Å |
| 52 | S | 52.8 | Low | 50.3 | Low | 98 Ų | 98 | 105.4 Ų | 105.4 | 69% | 0.685 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -82.9 | -26.6 | -179.7 | -55.8 | 0 | 0 | 0 | 0 | 114 | A48 V49 | A48-S52 VanDerWaalsContact O-CB 3.25Å; A48-S52 WeakPolarHBondContact O-CB 3.41Å; A48-S52 PolarHBondContact O-N 2.86Å; A48-S52 PolarHBondContact O-OG 2.83Å; V49-S52 PolarHBondContact O-N 3.44Å |
| 53 | L | 50.2 | Low | 50.4 | Low | 141 Ų | 141 | 111.7 Ų | 111.7 | 74% | 0.738 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -90.5 | -19.6 | -178 | -170.1 | 60.3 | 0 | 0 | 0 | 113 | V49 | V49-L53 WeakPolarHBondContact O-CB 3.22Å; V49-L53 PolarHBondContact O-N 3.4Å |
| 54 | R | 48.8 | Very low | 49.9 | Very low | 213 Ų | 213 | 112 Ų | 112 | 80% | 0.804 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -100.4 | -1.6 | 173.9 | -81.8 | -91.6 | -73.1 | -150.1 | -5.6 | 113.9 | L50 | L50-R54 WeakPolarHBondContact O-CB 3.28Å; L50-R54 PolarHBondContact O-N 2.98Å |
| 55 | I | 45.7 | Very low | 49.3 | Very low | 87 Ų | 87 | 113.5 Ų | 113.5 | 45% | 0.446 | 65% | 0.652 | S | S | . | * | | | trans | -103.2 | 82.5 | -177.8 | -64.6 | -163.5 | 0 | 0 | 0 | 114.2 | G51 P57 P59 | G51-I55 WeakPolarHBondContact O-CB 3.33Å; G51-I55 VanDerWaalsContact O-CG1 3.22Å; G51-I55 WeakPolarHBondContact O-CG1 3.26Å; I55-P57 VanDerWaalsContact C-N 3.32Å; I55-P57 HydrophobicContact CB-CG 3.92Å; I55-P57 HydrophobicContact CD1-CG 3.81Å; I55-P57 HydrophobicContact CG1-CG 3.53Å; I55-P57 HydrophobicContact CG2-CB 4.3Å; I55-P57 HydrophobicContact CG2-CG 3.63Å; I55-P57 WeakPolarHBondContact CG2-O 3.26Å; I55-P59 HydrophobicContact CG2-CG 4.03Å |
| 56 | H | 42.3 | Very low | 48.8 | Very low | 195 Ų | 195 | 111.6 Ų | 111.6 | 90% | 0.903 | 66% | 0.66 | S | S | * | * | | | trans | -98.6 | 48.9 | 130.6 | -158.9 | -145.5 | 0 | 0 | 0 | 109.3 | | |
| 57 | P | 49.5 | Very low | 48.7 | Very low | 77 Ų | 77 | 121.7 Ų | 121.7 | 50% | 0.5 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -97.3 | 98.4 | 130.8 | 19.9 | -38.9 | 0 | 0 | 0 | 113.7 | I55 P59 | I55-P57 VanDerWaalsContact C-N 3.32Å; I55-P57 HydrophobicContact CB-CG 3.92Å; I55-P57 HydrophobicContact CD1-CG 3.81Å; I55-P57 HydrophobicContact CG1-CG 3.53Å; I55-P57 HydrophobicContact CG2-CB 4.3Å; I55-P57 HydrophobicContact CG2-CG 3.63Å; I55-P57 WeakPolarHBondContact CG2-O 3.26Å; P57-P59 WeakPolarHBondContact O-CD 3.43Å; P57-P59 WeakPolarHBondContact O-CG 3.24Å |
| 58 | H | 47 | Very low | 48.3 | Very low | 172 Ų | 172 | 124 Ų | 124 | 80% | 0.796 | 70% | 0.699 | S | S | * | * | | | trans | -14.6 | 103.1 | 156.6 | 178.2 | -77 | 0 | 0 | 0 | 115.1 | | |
| 59 | P | 45.2 | Very low | 48.2 | Very low | 93 Ų | 93 | 127.1 Ų | 127.1 | 60% | 0.604 | 72% | 0.718 | S | S | * | * | | | trans | -118.8 | 91.1 | 156 | 26.5 | -3.3 | 0 | 0 | 0 | 105.8 | I55 P57 P61 | I55-P59 HydrophobicContact CG2-CG 4.03Å; P57-P59 WeakPolarHBondContact O-CD 3.43Å; P57-P59 WeakPolarHBondContact O-CG 3.24Å; P59-P61 WeakPolarHBondContact O-CD 3.27Å |
| 60 | G | 40.5 | Very low | 48.2 | Very low | 56 Ų | 56 | 129.3 Ų | 129.3 | 58% | 0.577 | 73% | 0.732 | S | S | * | * | | | trans | -54.6 | 121.3 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 61 | P | 43.9 | Very low | 48 | Very low | 125 Ų | 125 | 131 Ų | 131 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | | | trans | -83 | 110.3 | 158 | 11.6 | 6.7 | 0 | 0 | 0 | 107.2 | P59 H63 | P59-P61 WeakPolarHBondContact O-CD 3.27Å; P61-H63 VanDerWaalsContact C-N 3.35Å; P61-H63 PolarHBondContact O-N 3.38Å |
| 62 | D | 58.6 | Low | 48 | Very low | 164 Ų | 164 | 132.3 Ų | 132.3 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | | | trans | -58.3 | 94.7 | 164.4 | -96.9 | -63.7 | 0 | 0 | 0 | 110 | | |
| 63 | H | 53.5 | Low | 47.9 | Very low | 192 Ų | 192 | 133.6 Ų | 133.6 | 89% | 0.889 | 75% | 0.753 | S | S | * | * | | | trans | -166.4 | 111.4 | 141.5 | -130.7 | 61.9 | 0 | 0 | 0 | 113.4 | P61 | P61-H63 VanDerWaalsContact C-N 3.35Å; P61-H63 PolarHBondContact O-N 3.38Å |
| 64 | G | 46.1 | Very low | 48.4 | Very low | 74 Ų | 74 | 135 Ų | 135 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | | | trans | 102.9 | 42.5 | 142.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 65 | E | 39.2 | Very low | 48.7 | Very low | 202 Ų | 202 | 131.5 Ų | 131.5 | 94% | 0.944 | 75% | 0.746 | S | S | * | * | | | trans | -96.5 | 101.8 | 160.9 | -107.9 | 166.8 | 79.3 | 0 | 0 | 110.2 | R67 | E65-R67 PolarHBondContact O-N 3.44Š|
| 66 | G | 45.3 | Very low | 49.2 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | trans | -53.9 | 122.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | S68 | G66-S68 PolarHBondContact O-N 3.04Š|
| 67 | R | 51.2 | Low | 49.6 | Very low | 248 Ų | 248 | 127 Ų | 127 | 94% | 0.936 | 77% | 0.765 | S | S | * | * | | | trans | 22 | 100.5 | 131.4 | -172.7 | -177.3 | -175.4 | -170.7 | 1.5 | 115 | E65 | E65-R67 PolarHBondContact O-N 3.44Š|
| 68 | S | 45.2 | Very low | 49.9 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | | 177.8 | 85.6 | 127.3 | 179 | 0 | 0 | 0 | 0 | 111.2 | G66 | G66-S68 PolarHBondContact O-N 3.04Š|
| 69 | S | 49.6 | Very low | 50 | Low | 122 Ų | 122 | 129.5 Ų | 129.5 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | -95.3 | 85.6 | 165.9 | 47.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 70 | T | 51.2 | Low | 50.4 | Low | 125 Ų | 125 | 130.1 Ų | 130.1 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | | | trans | -149.9 | 101.9 | 153.4 | 57.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 71 | N | 48.8 | Very low | 50.9 | Low | 154 Ų | 154 | 133.8 Ų | 133.8 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | trans | -177 | 116 | 157.7 | 169.1 | -18.3 | 0 | 0 | 0 | 105.2 | | |
| 72 | G | 52.9 | Low | 51.3 | Low | 61 Ų | 61 | 131.4 Ų | 131.4 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | | | cis | 101.1 | 61.8 | 27.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 73 | N | 52.3 | Low | 50.9 | Low | 125 Ų | 125 | 128.8 Ų | 128.8 | 67% | 0.668 | 76% | 0.762 | S | S | * | * | | | trans | 70.7 | 119.1 | 146.1 | 171.4 | 72.8 | 0 | 0 | 0 | 119.1 | | |
| 74 | K | 59.6 | Low | 50.6 | Low | 170 Ų | 170 | 123.3 Ų | 123.3 | 74% | 0.739 | 74% | 0.741 | S | S | * | * | | | trans | 77.6 | 163 | 160.4 | -74.8 | 169.4 | -176.1 | 177.3 | 0 | 118.5 | | |
| 75 | E | 54.9 | Low | 50.9 | Low | 141 Ų | 141 | 123.4 Ų | 123.4 | 66% | 0.659 | 73% | 0.73 | S | S | * | * | | | trans | 93.6 | 32 | -179.6 | -57.7 | 90.4 | -122.3 | 0 | 0 | 120.5 | A77 | E75-A77 PolarHBondContact O-N 3.34Š|
| 76 | G | 55.9 | Low | 51.6 | Low | 94 Ų | 94 | 123.3 Ų | 123.3 | 97% | 0.969 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 26 | 163.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 77 | A | 51.6 | Low | 52.1 | Low | 92 Ų | 92 | 124.1 Ų | 124.1 | 76% | 0.76 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.8 | 9.9 | -174 | 0 | 0 | 0 | 0 | 0 | 115.5 | E75 | E75-A77 PolarHBondContact O-N 3.34Š|
| 78 | R | 55.2 | Low | 52.1 | Low | 200 Ų | 200 | 118.2 Ų | 118.2 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -111.2 | -1.9 | -177.9 | -60.7 | -172 | 87.8 | 172.1 | 5.3 | 115.2 | S80 | R78-S80 PolarHBondContact O-N 3.16Š|
| 79 | S | 49.1 | Very low | 52.5 | Low | 102 Ų | 102 | 120.3 Ų | 120.3 | 71% | 0.713 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -5.5 | -175.9 | -149.9 | 0 | 0 | 0 | 0 | 115 | | |
| 80 | S | 53.6 | Low | 52.9 | Low | 106 Ų | 106 | 123.4 Ų | 123.4 | 74% | 0.741 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -7.9 | 177 | -54.9 | 0 | 0 | 0 | 0 | 114.2 | R78 | R78-S80 PolarHBondContact O-N 3.16Š|
| 81 | L | 52.2 | Low | 52.6 | Low | 134 Ų | 134 | 124.2 Ų | 124.2 | 70% | 0.702 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -98.7 | -19.4 | -175 | -118.3 | 161.9 | 0 | 0 | 0 | 113.9 | V84 S85 | L81-V84 PolarHBondContact O-N 3.31Å; L81-S85 PolarHBondContact O-N 2.79Å |
| 82 | S | 51.3 | Low | 52.9 | Low | 75 Ų | 75 | 126 Ų | 126 | 52% | 0.524 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -76.9 | -22.5 | 179.8 | 59.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 83 | T | 50.7 | Low | 52.6 | Low | 109 Ų | 109 | 128.8 Ų | 128.8 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -77.8 | -23.6 | 174.4 | -57.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 84 | V | 46.3 | Very low | 52.7 | Low | 76 Ų | 76 | 125.2 Ų | 125.2 | 46% | 0.461 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -84 | -24 | 176 | -174.2 | 0 | 0 | 0 | 0 | 111.7 | L81 R86 T87 | L81-V84 PolarHBondContact O-N 3.31Å; V84-R86 PolarHBondContact O-N 3.23Å; V84-T87 PolarHBondContact O-N 2.9Å; V84-T87 PolarHBondContact O-OG1 3.42Å; V84-T87 VanDerWaalsContact O-OG1 3.08Å |
| 85 | S | 52.4 | Low | 51.9 | Low | 76 Ų | 76 | 123.2 Ų | 123.2 | 53% | 0.531 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -69.1 | -33.3 | -178.3 | -162.4 | 0 | 0 | 0 | 0 | 113.5 | L81 | L81-S85 PolarHBondContact O-N 2.79Å |
| 86 | R | 54.8 | Low | 51.5 | Low | 200 Ų | 200 | 127.6 Ų | 127.6 | 76% | 0.755 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -80.7 | -13.8 | -179.4 | -67.3 | -166 | -157.6 | -159.2 | 5.4 | 114.4 | V84 E89 | V84-R86 PolarHBondContact O-N 3.23Å; R86-E89 WeakPolarHBondContact O-CG 2.98Å |
| 87 | T | 54.7 | Low | 51.2 | Low | 89 Ų | 89 | 127 Ų | 127 | 55% | 0.546 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -92.8 | -18.1 | 179.4 | 43.5 | 0 | 0 | 0 | 0 | 113.2 | V84 | V84-T87 PolarHBondContact O-N 2.9Å; V84-T87 PolarHBondContact O-OG1 3.42Å; V84-T87 VanDerWaalsContact O-OG1 3.08Å |
| 88 | L | 51.3 | Low | 50.6 | Low | 125 Ų | 125 | 126.4 Ų | 126.4 | 65% | 0.654 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -85.6 | -21 | 176.1 | -62.4 | -172.4 | 0 | 0 | 0 | 114.2 | K90 | L88-K90 PolarHBondContact O-N 3.44Å |
| 89 | E | 54.4 | Low | 50 | Low | 151 Ų | 151 | 125.2 Ų | 125.2 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -8.6 | 175.7 | 52.7 | -175.4 | 85.1 | 0 | 0 | 113.7 | R86 | R86-E89 WeakPolarHBondContact O-CG 2.98Š|
| 90 | K | 56.7 | Low | 49.5 | Very low | 187 Ų | 187 | 129 Ų | 129 | 81% | 0.813 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 4.7 | -175.2 | -135.4 | 171.6 | -175.3 | 178.8 | 0 | 115.3 | L88 | L88-K90 PolarHBondContact O-N 3.44Š|
| 91 | L | 45.7 | Very low | 48.9 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | | | trans | -107 | 91.8 | 165.2 | -70.2 | 168.2 | 0 | 0 | 0 | 108.2 | P93 | L91-P93 VanDerWaalsContact O-CD 3.3Å; L91-P93 WeakPolarHBondContact O-CD 3.21Å |
| 92 | K | 56.3 | Low | 48.7 | Very low | 191 Ų | 191 | 133.6 Ų | 133.6 | 83% | 0.83 | 74% | 0.736 | S | S | * | * | | | trans | -85.9 | 115.5 | 163.3 | 176.6 | 173.6 | -179.8 | 170.6 | 0 | 108.3 | | |
| 93 | P | 45.7 | Very low | 48.6 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | | | trans | -90.1 | 110.8 | 147 | 21.1 | -5.6 | 0 | 0 | 0 | 107.2 | L91 | L91-P93 VanDerWaalsContact O-CD 3.3Å; L91-P93 WeakPolarHBondContact O-CD 3.21Å |
| 94 | G | 53.5 | Low | 48.4 | Very low | 49 Ų | 49 | 138.2 Ų | 138.2 | 51% | 0.505 | 75% | 0.751 | S | S | . | * | | | trans | -69 | 161.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 95 | T | 44.5 | Very low | 48.6 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | 126.2 | 134 | 145 | -153.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 96 | R | 46 | Very low | 48.3 | Very low | 233 Ų | 233 | 145.9 Ų | 145.9 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | | | trans | 75.8 | 118.9 | 155.7 | -79.2 | 165.1 | 70.3 | 135.1 | 1 | 119.1 | | |
| 97 | G | 50.3 | Low | 47.9 | Very low | 82 Ų | 82 | 142.3 Ų | 142.3 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | | | trans | -84.2 | 175.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 98 | A | 38.1 | Very low | 47.4 | Very low | 80 Ų | 80 | 146.1 Ų | 146.1 | 66% | 0.661 | 80% | 0.802 | S | S | * | * | | | trans | -173.5 | 105.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 103.7 | | |
| 99 | E | 42.8 | Very low | 47.1 | Very low | 175 Ų | 175 | 147.8 Ų | 147.8 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | | 50.8 | 113.2 | 110.4 | 78.5 | -159.3 | 72.4 | 0 | 0 | 113 | | |
| 100 | E | 38.3 | Very low | 46.5 | Very low | 181 Ų | 181 | 147.5 Ų | 147.5 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | | | | -177.4 | 130.6 | 102.4 | 54.5 | -158.7 | 99.1 | 0 | 0 | 107.4 | | |
| 101 | C | 40.2 | Very low | 45.6 | Very low | 202 Ų | 202 | 143.9 Ų | 143.9 | 100% | 1.365 | 82% | 0.824 | S | S | * | * | | | | 47.1 | 0 | 83.5 | -74.1 | 0 | 0 | 0 | 0 | 113.7 | | |