| 1 | M | 58.3 | Low | 79.7 | Confident | 220 Ų | 220 | 110.8 Ų | 110.8 | 100% | 1.084 | 63% | 0.633 | S | S | * | * | | | | 0 | -42.6 | 0 | -73.9 | 171.8 | -177.8 | 0 | 0 | 112.8 | A3 A4 | M1-A3 PolarHBondContact O-N 3.48Å; M1-A4 PolarHBondContact O-N 3.09Å |
| 2 | A | 71.9 | Confident | 79.8 | Confident | 78 Ų | 78 | 106.3 Ų | 106.3 | 65% | 0.645 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -60.2 | -37.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A4 L5 F6 | A2-A4 VanDerWaalsContact C-N 3.31Å; A2-A4 PolarHBondContact O-N 3.16Å; A2-L5 PolarHBondContact O-N 2.75Å; A2-L5 VanDerWaalsContact O-N 3.14Å; A2-F6 PolarHBondContact O-N 2.83Å; A2-F6 VanDerWaalsContact O-N 3.11Å |
| 3 | A | 72.9 | Confident | 79.7 | Confident | 76 Ų | 76 | 104.4 Ų | 104.4 | 63% | 0.628 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.3 | -38.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | M1 L5 F6 V7 | M1-A3 PolarHBondContact O-N 3.48Å; A3-L5 VanDerWaalsContact C-N 3.3Å; A3-L5 PolarHBondContact O-N 2.98Å; A3-F6 PolarHBondContact O-N 2.77Å; A3-V7 VanDerWaalsContact O-CG2 3.32Å; A3-V7 WeakPolarHBondContact O-CG2 3.46Å; A3-V7 PolarHBondContact O-N 2.87Å |
| 4 | A | 80.9 | Confident | 79.4 | Confident | 57 Ų | 57 | 104.5 Ų | 104.5 | 47% | 0.471 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.2 | -38 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | M1 A2 V7 L8 | M1-A4 PolarHBondContact O-N 3.09Å; A2-A4 VanDerWaalsContact C-N 3.31Å; A2-A4 PolarHBondContact O-N 3.16Å; A4-V7 PolarHBondContact O-N 2.96Å; A4-L8 WeakPolarHBondContact O-CB 3.14Å; A4-L8 VanDerWaalsContact O-CG 3.23Å; A4-L8 WeakPolarHBondContact O-CG 3.43Å; A4-L8 PolarHBondContact O-N 2.71Å |
| 5 | L | 85.9 | Confident | 78.3 | Confident | 120 Ų | 120 | 100.8 Ų | 100.8 | 63% | 0.628 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.5 | -38.3 | 178 | -54.7 | -174.5 | 0 | 0 | 0 | 111.7 | A2 A3 L8 L9 | A2-L5 PolarHBondContact O-N 2.75Å; A2-L5 VanDerWaalsContact O-N 3.14Å; A3-L5 VanDerWaalsContact C-N 3.3Å; A3-L5 PolarHBondContact O-N 2.98Å; L5-L8 PolarHBondContact O-N 2.84Å; L5-L9 VanDerWaalsContact O-CB 3.24Å; L5-L9 WeakPolarHBondContact O-CB 3.28Å; L5-L9 PolarHBondContact O-N 2.85Å |
| 6 | F | 85.6 | Confident | 77.3 | Confident | 159 Ų | 159 | 101.1 Ų | 101.1 | 70% | 0.697 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.9 | -40.6 | 176 | -176.3 | -100.3 | 0 | 0 | 0 | 112.3 | A2 A3 L9 G10 | A2-F6 PolarHBondContact O-N 2.83Å; A2-F6 VanDerWaalsContact O-N 3.11Å; A3-F6 PolarHBondContact O-N 2.77Å; F6-L9 PolarHBondContact O-N 3.15Å; F6-G10 PolarHBondContact O-N 3.06Å |
| 7 | V | 85.3 | Confident | 76 | Confident | 100 Ų | 100 | 101.5 Ų | 101.5 | 61% | 0.606 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.5 | -44.6 | 175.9 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | A3 A4 G10 F11 | A3-V7 VanDerWaalsContact O-CG2 3.32Å; A3-V7 WeakPolarHBondContact O-CG2 3.46Å; A3-V7 PolarHBondContact O-N 2.87Å; A4-V7 PolarHBondContact O-N 2.96Å; V7-G10 PolarHBondContact O-N 2.93Å; V7-F11 PolarHBondContact O-N 2.72Å |
| 8 | L | 86.4 | Confident | 74.6 | Confident | 116 Ų | 116 | 97.7 Ų | 97.7 | 61% | 0.607 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.2 | -40.7 | 176.6 | -70.4 | 171.6 | 0 | 0 | 0 | 111.9 | A4 L5 F11 A12 | A4-L8 WeakPolarHBondContact O-CB 3.14Å; A4-L8 VanDerWaalsContact O-CG 3.23Å; A4-L8 WeakPolarHBondContact O-CG 3.43Å; A4-L8 PolarHBondContact O-N 2.71Å; L5-L8 PolarHBondContact O-N 2.84Å; L8-F11 PolarHBondContact O-N 3.02Å; L8-A12 VanDerWaalsContact O-CB 3.29Å; L8-A12 WeakPolarHBondContact O-CB 3.46Å; L8-A12 PolarHBondContact O-N 2.82Å |
| 9 | L | 85.6 | Confident | 73.5 | Confident | 99 Ų | 99 | 96.8 Ų | 96.8 | 52% | 0.518 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.4 | -44.2 | 175.1 | 179.9 | 61.1 | 0 | 0 | 0 | 111.4 | L5 F6 F11 A12 L13 | L5-L9 VanDerWaalsContact O-CB 3.24Å; L5-L9 WeakPolarHBondContact O-CB 3.28Å; L5-L9 PolarHBondContact O-N 2.85Å; F6-L9 PolarHBondContact O-N 3.15Å; L9-F11 PolarHBondContact O-N 2.96Å; L9-A12 PolarHBondContact O-N 2.9Å; L9-L13 HydrophobicContact CD1-CD1 4.02Å; L9-L13 HydrophobicContact CD1-CG 4.15Å; L9-L13 HydrophobicContact CG-CD1 3.96Å; L9-L13 HydrophobicContact CG-CG 4.49Å; L9-L13 WeakPolarHBondContact O-CB 3.23Å; L9-L13 VanDerWaalsContact O-CG 3.23Å; L9-L13 WeakPolarHBondContact O-CG 3.29Å; L9-L13 PolarHBondContact O-N 2.95Å |
| 10 | G | 83.6 | Confident | 72.6 | Confident | 38 Ų | 38 | 97.6 Ų | 97.6 | 39% | 0.392 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F6 V7 L14 | F6-G10 PolarHBondContact O-N 3.06Å; V7-G10 PolarHBondContact O-N 2.93Å; G10-L14 VanDerWaalsContact O-CB 3.28Å; G10-L14 WeakPolarHBondContact O-CB 3.29Å; G10-L14 PolarHBondContact O-N 3.17Å |
| 11 | F | 80.3 | Confident | 71.6 | Confident | 156 Ų | 156 | 95.1 Ų | 95.1 | 68% | 0.684 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.4 | -42.2 | 176.3 | -175 | -96.8 | 0 | 0 | 0 | 112.6 | V7 L8 L9 L14 G15 | V7-F11 PolarHBondContact O-N 2.72Å; L8-F11 PolarHBondContact O-N 3.02Å; L9-F11 PolarHBondContact O-N 2.96Å; F11-L14 WeakPolarHBondContact O-CB 3.23Å; F11-L14 PolarHBondContact O-N 2.95Å; F11-G15 PolarHBondContact O-N 3.37Å |
| 12 | A | 80.5 | Confident | 71.3 | Confident | 56 Ų | 56 | 88.7 Ų | 88.7 | 46% | 0.463 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.8 | -45.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L8 L9 G15 T16 | L8-A12 VanDerWaalsContact O-CB 3.29Å; L8-A12 WeakPolarHBondContact O-CB 3.46Å; L8-A12 PolarHBondContact O-N 2.82Å; L9-A12 PolarHBondContact O-N 2.9Å; A12-G15 PolarHBondContact O-N 3.04Å; A12-T16 WeakPolarHBondContact O-CG2 3.43Å; A12-T16 PolarHBondContact O-N 3.21Å |
| 13 | L | 78.3 | Confident | 70.3 | Confident | 82 Ų | 82 | 88 Ų | 88 | 43% | 0.429 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.4 | -48.1 | 173.2 | -68.5 | 171.6 | 0 | 0 | 0 | 109.6 | L9 G15 T16 H17 | L9-L13 HydrophobicContact CD1-CD1 4.02Å; L9-L13 HydrophobicContact CD1-CG 4.15Å; L9-L13 HydrophobicContact CG-CD1 3.96Å; L9-L13 HydrophobicContact CG-CG 4.49Å; L9-L13 WeakPolarHBondContact O-CB 3.23Å; L9-L13 VanDerWaalsContact O-CG 3.23Å; L9-L13 WeakPolarHBondContact O-CG 3.29Å; L9-L13 PolarHBondContact O-N 2.95Å; L13-G15 VanDerWaalsContact C-N 3.28Å; L13-G15 PolarHBondContact O-N 3.45Å; L13-T16 PolarHBondContact O-N 3Å; L13-T16 PolarHBondContact O-OG1 2.89Å; L13-H17 VanDerWaalsContact C-NE2 3.25Å; L13-H17 WeakPolarHBondContact CB-NE2 3.28Å; L13-H17 PolarHBondContact O-CD2 3.24Å; L13-H17 PolarHBondContact O-CE1 2.74Å; L13-H17 PolarHBondContact O-N 3.48Å; L13-H17 VanDerWaalsContact O-N 3.09Å; L13-H17 PolarHBondContact O-ND1 2.91Å; L13-H17 PolarHBondContact O-NE2 3.23Å |
| 14 | L | 76.4 | Confident | 69.5 | Low | 106 Ų | 106 | 95.8 Ų | 95.8 | 56% | 0.555 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -51.2 | -41.3 | 176.7 | -167.6 | 58.6 | 0 | 0 | 0 | 113.8 | G10 F11 H17 G18 | G10-L14 VanDerWaalsContact O-CB 3.28Å; G10-L14 WeakPolarHBondContact O-CB 3.29Å; G10-L14 PolarHBondContact O-N 3.17Å; F11-L14 WeakPolarHBondContact O-CB 3.23Å; F11-L14 PolarHBondContact O-N 2.95Å; L14-H17 WeakPolarHBondContact CA-CE1 3.49Å; L14-H17 WeakPolarHBondContact CA-ND1 3.32Å; L14-H17 PolarHBondContact N-CE1 2.9Å; L14-H17 PolarHBondContact O-ND1 3.45Å; L14-G18 VanDerWaalsContact O-CA 3.29Å; L14-G18 WeakPolarHBondContact O-CA 3.37Å; L14-G18 PolarHBondContact O-N 3.04Å |
| 15 | G | 63.1 | Low | 68.3 | Low | 49 Ų | 49 | 98 Ų | 98 | 51% | 0.505 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.8 | -39 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F11 A12 L13 A19 | F11-G15 PolarHBondContact O-N 3.37Å; A12-G15 PolarHBondContact O-N 3.04Å; L13-G15 VanDerWaalsContact C-N 3.28Å; L13-G15 PolarHBondContact O-N 3.45Å; G15-A19 PolarHBondContact O-N 3.37Å |
| 16 | T | 61.1 | Low | 66.6 | Low | 105 Ų | 105 | 97.9 Ų | 97.9 | 64% | 0.644 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -72.1 | -31.8 | -179.2 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | A12 L13 | A12-T16 WeakPolarHBondContact O-CG2 3.43Å; A12-T16 PolarHBondContact O-N 3.21Å; L13-T16 PolarHBondContact O-N 3Å; L13-T16 PolarHBondContact O-OG1 2.89Å |
| 17 | H | 56.7 | Low | 65.1 | Low | 108 Ų | 108 | 95.8 Ų | 95.8 | 50% | 0.5 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -103.3 | -5.7 | 176.6 | 40.3 | 50.3 | 0 | 0 | 0 | 114.4 | L13 L14 S20 | L13-H17 VanDerWaalsContact C-NE2 3.25Å; L13-H17 WeakPolarHBondContact CB-NE2 3.28Å; L13-H17 PolarHBondContact O-CD2 3.24Å; L13-H17 PolarHBondContact O-CE1 2.74Å; L13-H17 PolarHBondContact O-N 3.48Å; L13-H17 VanDerWaalsContact O-N 3.09Å; L13-H17 PolarHBondContact O-ND1 2.91Å; L13-H17 PolarHBondContact O-NE2 3.23Å; L14-H17 WeakPolarHBondContact CA-CE1 3.49Å; L14-H17 WeakPolarHBondContact CA-ND1 3.32Å; L14-H17 PolarHBondContact N-CE1 2.9Å; L14-H17 PolarHBondContact O-ND1 3.45Å; H17-S20 PolarHBondContact O-OG 3.45Å |
| 18 | G | 49.9 | Very low | 63.5 | Low | 34 Ų | 34 | 97.3 Ų | 97.3 | 35% | 0.351 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -84.5 | -20.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L14 S20 G21 A22 | L14-G18 VanDerWaalsContact O-CA 3.29Å; L14-G18 WeakPolarHBondContact O-CA 3.37Å; L14-G18 PolarHBondContact O-N 3.04Å; G18-S20 VanDerWaalsContact C-N 3.26Å; G18-S20 PolarHBondContact O-N 3.36Å; G18-G21 PolarHBondContact O-N 3.35Å; G18-A22 PolarHBondContact O-N 2.96Å |
| 19 | A | 54.7 | Low | 62.1 | Low | 80 Ų | 80 | 96.9 Ų | 96.9 | 66% | 0.661 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -23.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G15 G21 | G15-A19 PolarHBondContact O-N 3.37Å; A19-G21 VanDerWaalsContact C-N 3.3Å |
| 20 | S | 54.3 | Low | 61 | Low | 112 Ų | 112 | 95.7 Ų | 95.7 | 78% | 0.783 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -2 | 171.2 | 60.5 | 0 | 0 | 0 | 0 | 113.8 | H17 G18 | H17-S20 PolarHBondContact O-OG 3.45Å; G18-S20 VanDerWaalsContact C-N 3.26Å; G18-S20 PolarHBondContact O-N 3.36Å |
| 21 | G | 53 | Low | 59.5 | Low | 46 Ų | 46 | 101.4 Ų | 101.4 | 47% | 0.474 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.2 | -8.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G18 A19 G23 | G18-G21 PolarHBondContact O-N 3.35Å; A19-G21 VanDerWaalsContact C-N 3.3Å; G21-G23 PolarHBondContact O-N 3.21Å |
| 22 | A | 50.3 | Low | 58.4 | Low | 86 Ų | 86 | 98.8 Ų | 98.8 | 71% | 0.711 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 26.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G18 W24 | G18-A22 PolarHBondContact O-N 2.96Å; A22-W24 VanDerWaalsContact C-N 3.34Å |
| 23 | G | 52.2 | Low | 57 | Low | 64 Ų | 64 | 101.9 Ų | 101.9 | 66% | 0.66 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 10.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G21 T25 | G21-G23 PolarHBondContact O-N 3.21Å; G23-T25 VanDerWaalsContact C-N 3.27Å; G23-T25 PolarHBondContact O-N 3.47Å |
| 24 | W | 55.7 | Low | 55.8 | Low | 239 Ų | 239 | 103.4 Ų | 103.4 | 91% | 0.905 | 67% | 0.671 | S | S | * | * | | | trans | -87.2 | 75.4 | 169.3 | -74.6 | 73.8 | 0 | 0 | 0 | 108.9 | A22 P26 | A22-W24 VanDerWaalsContact C-N 3.34Å; W24-P26 WeakPolarHBondContact O-CD 3.47Å |
| 25 | T | 54.6 | Low | 55.1 | Low | 104 Ų | 104 | 102.5 Ų | 102.5 | 64% | 0.638 | 68% | 0.679 | S | S | * | * | | | trans | -67.3 | 123.8 | 157.3 | 52.9 | 0 | 0 | 0 | 0 | 106.8 | G23 T27 | G23-T25 VanDerWaalsContact C-N 3.27Å; G23-T25 PolarHBondContact O-N 3.47Å; T25-T27 VanDerWaalsContact C-N 3.3Å; T25-T27 PolarHBondContact O-N 2.88Å |
| 26 | P | 52.2 | Low | 54.4 | Low | 117 Ų | 117 | 105.5 Ų | 105.5 | 76% | 0.76 | 69% | 0.692 | S | S | * | * | | | trans | -66.1 | 101.5 | 162.9 | -8.2 | 24 | 0 | 0 | 0 | 105.2 | W24 T28 | W24-P26 WeakPolarHBondContact O-CD 3.47Å; P26-T28 PolarHBondContact O-N 3.21Å |
| 27 | T | 53.9 | Low | 54.3 | Low | 115 Ų | 115 | 105.7 Ų | 105.7 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | | | trans | -63.5 | 95.8 | 166.9 | 47.6 | 0 | 0 | 0 | 0 | 106.5 | T25 S29 | T25-T27 VanDerWaalsContact C-N 3.3Å; T25-T27 PolarHBondContact O-N 2.88Å; T27-S29 PolarHBondContact O-N 2.92Å |
| 28 | T | 51.8 | Low | 54.3 | Low | 132 Ų | 132 | 105.3 Ų | 105.3 | 81% | 0.81 | 71% | 0.707 | S | S | * | * | | | trans | -62 | 89.7 | 154.6 | 52.5 | 0 | 0 | 0 | 0 | 105.2 | P26 G30 | P26-T28 PolarHBondContact O-N 3.21Å; T28-G30 PolarHBondContact O-N 3.04Å |
| 29 | S | 57 | Low | 54.8 | Low | 107 Ų | 107 | 109 Ų | 109 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | | | trans | -72.3 | 67.8 | 175.4 | 56.2 | 0 | 0 | 0 | 0 | 109 | T27 | T27-S29 PolarHBondContact O-N 2.92Š|
| 30 | G | 60.7 | Low | 55.3 | Low | 73 Ų | 73 | 108.5 Ų | 108.5 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | | | trans | -103.3 | 63.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | T28 | T28-G30 PolarHBondContact O-N 3.04Š|
| 31 | E | 52.7 | Low | 55.7 | Low | 159 Ų | 159 | 109 Ų | 109 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -159.1 | 135.2 | 157.8 | -169.4 | 53.6 | 86.8 | 0 | 0 | 108.3 | T33 | E31-T33 PolarHBondContact O-N 3.42Å; E31-T33 VanDerWaalsContact O-N 3.16Å |
| 32 | S | 56.8 | Low | 56 | Low | 100 Ų | 100 | 117.9 Ų | 117.9 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | | | trans | -64.5 | 109.7 | -163.9 | -47.1 | 0 | 0 | 0 | 0 | 110.7 | P34 | S32-P34 WeakPolarHBondContact O-CD 3.1Å; S32-P34 VanDerWaalsContact O-N 3.08Å |
| 33 | T | 51.8 | Low | 56.6 | Low | 122 Ų | 122 | 117 Ų | 117 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | | | trans | -57.5 | 113.9 | 164.5 | -53.5 | 0 | 0 | 0 | 0 | 107.2 | E31 A35 | E31-T33 PolarHBondContact O-N 3.42Å; E31-T33 VanDerWaalsContact O-N 3.16Å; T33-A35 PolarHBondContact O-N 2.91Å |
| 34 | P | 53.9 | Low | 57.1 | Low | 114 Ų | 114 | 124.5 Ų | 124.5 | 74% | 0.74 | 74% | 0.738 | S | S | * | * | | | trans | -62.4 | 115.1 | 162.9 | 25.8 | -26.3 | 0 | 0 | 0 | 103.9 | S32 S36 | S32-P34 WeakPolarHBondContact O-CD 3.1Å; S32-P34 VanDerWaalsContact O-N 3.08Å; P34-S36 VanDerWaalsContact C-N 3.29Å; P34-S36 PolarHBondContact O-N 2.84Å |
| 35 | A | 60 | Low | 57.3 | Low | 87 Ų | 87 | 118.6 Ų | 118.6 | 72% | 0.719 | 73% | 0.73 | S | S | * | * | | | trans | -52.5 | 102.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | T33 S37 | T33-A35 PolarHBondContact O-N 2.91Å; A35-S37 PolarHBondContact O-N 2.8Å |
| 36 | S | 49 | Very low | 57.3 | Low | 112 Ų | 112 | 119.6 Ų | 119.6 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | | | trans | -64.7 | 91 | 170.8 | 175.4 | 0 | 0 | 0 | 0 | 104.1 | P34 S38 | P34-S36 VanDerWaalsContact C-N 3.29Å; P34-S36 PolarHBondContact O-N 2.84Å; S36-S38 PolarHBondContact O-N 3.32Å |
| 37 | S | 58.9 | Low | 57.1 | Low | 109 Ų | 109 | 119.6 Ų | 119.6 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | | | trans | -66.6 | 79.5 | 174 | 48.8 | 0 | 0 | 0 | 0 | 106.6 | A35 P39 | A35-S37 PolarHBondContact O-N 2.8Å; S37-P39 VanDerWaalsContact O-CD 3.28Å; S37-P39 WeakPolarHBondContact O-CD 3.25Å; S37-P39 VanDerWaalsContact O-N 3.13Å |
| 38 | S | 56.7 | Low | 57.2 | Low | 99 Ų | 99 | 118.9 Ų | 118.9 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | | | trans | -59 | 113.1 | 171.1 | -163.7 | 0 | 0 | 0 | 0 | 105.9 | S36 S40 | S36-S38 PolarHBondContact O-N 3.32Å; S38-S40 PolarHBondContact O-N 3.09Å |
| 39 | P | 61.2 | Low | 57.5 | Low | 113 Ų | 113 | 118.2 Ų | 118.2 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | | | trans | -63.9 | 116 | -179 | 25.2 | -29.9 | 0 | 0 | 0 | 106.7 | S37 | S37-P39 VanDerWaalsContact O-CD 3.28Å; S37-P39 WeakPolarHBondContact O-CD 3.25Å; S37-P39 VanDerWaalsContact O-N 3.13Å |
| 40 | S | 65.5 | Low | 57.6 | Low | 69 Ų | 69 | 119 Ų | 119 | 48% | 0.483 | 74% | 0.74 | S | S | . | * | | | trans | -58.7 | 125.5 | 178.5 | -175 | 0 | 0 | 0 | 0 | 108.2 | S38 W42 A43 | S38-S40 PolarHBondContact O-N 3.09Å; S40-W42 PolarHBondContact O-N 3.21Å; S40-A43 VanDerWaalsContact O-CB 3.23Å; S40-A43 WeakPolarHBondContact O-CB 3.24Å; S40-A43 PolarHBondContact O-N 3.43Å |
| 41 | P | 61.9 | Low | 57.2 | Low | 123 Ų | 123 | 118.4 Ų | 118.4 | 80% | 0.799 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -12.2 | 179.7 | 26.2 | -33.9 | 0 | 0 | 0 | 112.4 | | |
| 42 | W | 60 | Low | 57 | Low | 232 Ų | 232 | 118.8 Ų | 118.8 | 88% | 0.879 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 3.8 | 174.7 | -64.4 | 105.9 | 0 | 0 | 0 | 113.6 | S40 R44 | S40-W42 PolarHBondContact O-N 3.21Å; W42-R44 PolarHBondContact O-N 3.14Å |
| 43 | A | 63.2 | Low | 56.9 | Low | 67 Ų | 67 | 119.7 Ų | 119.7 | 55% | 0.554 | 74% | 0.744 | S | S | * | * | | | trans | -61.9 | 108.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | S40 P45 | S40-A43 VanDerWaalsContact O-CB 3.23Å; S40-A43 WeakPolarHBondContact O-CB 3.24Å; S40-A43 PolarHBondContact O-N 3.43Å; A43-P45 WeakPolarHBondContact O-CD 3.23Å |
| 44 | R | 61.1 | Low | 56.7 | Low | 222 Ų | 222 | 126.9 Ų | 126.9 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | | | trans | -55.7 | 122.7 | 179.5 | -163.1 | 179.1 | -168.9 | -165 | 2.8 | 107.6 | W42 T46 | W42-R44 PolarHBondContact O-N 3.14Å; R44-T46 PolarHBondContact O-N 3.37Å |
| 45 | P | 60.4 | Low | 56.9 | Low | 115 Ų | 115 | 127.5 Ų | 127.5 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | | | trans | -63.9 | 103.9 | 176.9 | 22.3 | -28.7 | 0 | 0 | 0 | 107.7 | A43 S47 | A43-P45 WeakPolarHBondContact O-CD 3.23Å; P45-S47 PolarHBondContact O-N 3.48Å; P45-S47 VanDerWaalsContact O-N 3.15Å |
| 46 | T | 54.1 | Low | 56.7 | Low | 125 Ų | 125 | 129.6 Ų | 129.6 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | | | trans | -74.5 | 100.6 | 165 | 51.5 | 0 | 0 | 0 | 0 | 105.4 | R44 S48 | R44-T46 PolarHBondContact O-N 3.37Å; T46-S48 VanDerWaalsContact C-N 3.33Å; T46-S48 PolarHBondContact O-N 3.36Å |
| 47 | S | 49.4 | Very low | 57.2 | Low | 117 Ų | 117 | 130.6 Ų | 130.6 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -54.9 | 99.5 | 171.9 | -51.8 | 0 | 0 | 0 | 0 | 108.3 | P45 S49 | P45-S47 PolarHBondContact O-N 3.48Å; P45-S47 VanDerWaalsContact O-N 3.15Å; S47-S49 VanDerWaalsContact C-N 3.29Å; S47-S49 PolarHBondContact O-N 3.03Å |
| 48 | S | 54.8 | Low | 57.1 | Low | 100 Ų | 100 | 131.9 Ų | 131.9 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | trans | -73.3 | 94 | 167.9 | 57.7 | 0 | 0 | 0 | 0 | 106.4 | T46 T50 | T46-S48 VanDerWaalsContact C-N 3.33Å; T46-S48 PolarHBondContact O-N 3.36Å; S48-T50 PolarHBondContact O-N 3.35Å |
| 49 | S | 59.4 | Low | 57.1 | Low | 117 Ų | 117 | 133.9 Ų | 133.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -57.4 | 94.3 | 161.2 | -179.9 | 0 | 0 | 0 | 0 | 107.1 | S47 G51 | S47-S49 VanDerWaalsContact C-N 3.29Å; S47-S49 PolarHBondContact O-N 3.03Å; S49-G51 PolarHBondContact O-N 3.31Å |
| 50 | T | 58.5 | Low | 56.8 | Low | 124 Ų | 124 | 135.3 Ų | 135.3 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | | | trans | -78.1 | 86.2 | 163.7 | 11.2 | 0 | 0 | 0 | 0 | 105.2 | S48 L52 | S48-T50 PolarHBondContact O-N 3.35Å; T50-L52 PolarHBondContact O-N 3.11Å; T50-L52 VanDerWaalsContact O-N 3.09Å |
| 51 | G | 52.4 | Low | 56.2 | Low | 61 Ų | 61 | 140.1 Ų | 140.1 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | | | trans | -54 | 112.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 107 | S49 | S49-G51 PolarHBondContact O-N 3.31Š|
| 52 | L | 47 | Very low | 55.7 | Low | 166 Ų | 166 | 141.4 Ų | 141.4 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | | | trans | -61.9 | 127.5 | 169 | -74.8 | 159.1 | 0 | 0 | 0 | 107.7 | T50 E54 | T50-L52 PolarHBondContact O-N 3.11Å; T50-L52 VanDerWaalsContact O-N 3.09Å; L52-E54 PolarHBondContact O-N 2.87Å |
| 53 | P | 55.3 | Low | 55.4 | Low | 120 Ų | 120 | 133.8 Ų | 133.8 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | | | trans | -77.1 | 121 | 163.9 | 29.8 | -27.3 | 0 | 0 | 0 | 109.1 | | |
| 54 | E | 49 | Very low | 54.7 | Low | 272 Ų | 272 | 139.9 Ų | 139.9 | 100% | 1.271 | 82% | 0.818 | S | S | * | * | | | trans | 53.5 | 0 | 160.6 | -50.7 | -151.5 | 129.6 | 0 | 0 | 120.1 | L52 | L52-E54 PolarHBondContact O-N 2.87Š|