| 1 | M | 52.2 | Low | 55.1 | Low | 234 Ų | 234 | 135.3 Ų | 135.3 | 100% | 1.153 | 82% | 0.823 | S | S | * | * | | | | 0 | 116.7 | 0 | -61.7 | -167.1 | -70.3 | 0 | 0 | 107.4 | | |
| 2 | P | 55.1 | Low | 55.8 | Low | 134 Ų | 134 | 135.1 Ų | 135.1 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | | | trans | -74 | 131.1 | 175.6 | 29.6 | -30.4 | 0 | 0 | 0 | 109.6 | A4 | P2-A4 PolarHBondContact O-N 3.2Š|
| 3 | N | 46.1 | Very low | 56.1 | Low | 159 Ų | 159 | 133.9 Ų | 133.9 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | | | trans | -67 | 117.8 | 179.3 | -158.3 | 20.1 | 0 | 0 | 0 | 108.6 | T5 | N3-T5 PolarHBondContact O-N 3.32Š|
| 4 | A | 56.1 | Low | 56.4 | Low | 90 Ų | 90 | 127.5 Ų | 127.5 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | | | trans | -71.9 | 112 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | P2 E6 | P2-A4 PolarHBondContact O-N 3.2Å; A4-E6 PolarHBondContact O-N 3.44Å |
| 5 | T | 57.9 | Low | 56.7 | Low | 140 Ų | 140 | 129.5 Ų | 129.5 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | | | trans | -55.5 | 100.3 | 168.2 | -58.1 | 0 | 0 | 0 | 0 | 109 | N3 A7 | N3-T5 PolarHBondContact O-N 3.32Å; T5-A7 PolarHBondContact O-N 3.04Å |
| 6 | E | 57.7 | Low | 56.7 | Low | 186 Ų | 186 | 125.4 Ų | 125.4 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | | | trans | -73.2 | 100.3 | 170.6 | -173.4 | 174.7 | 112.8 | 0 | 0 | 108.4 | A4 G8 | A4-E6 PolarHBondContact O-N 3.44Å; E6-G8 PolarHBondContact O-N 2.96Å |
| 7 | A | 53.8 | Low | 57 | Low | 85 Ų | 85 | 128.4 Ų | 128.4 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | | | trans | 2.9 | 109.9 | 153.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | T5 | T5-A7 PolarHBondContact O-N 3.04Š|
| 8 | G | 52.8 | Low | 57.3 | Low | 65 Ų | 65 | 130.1 Ų | 130.1 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -52.1 | 142.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E6 | E6-G8 PolarHBondContact O-N 2.96Š|
| 9 | K | 52.3 | Low | 57.6 | Low | 180 Ų | 180 | 129.2 Ų | 129.2 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | | | trans | 34.9 | 95.4 | 154.5 | 54.9 | 169 | -172.1 | -178.7 | 0 | 114.9 | T11 | K9-T11 VanDerWaalsContact C-N 3.26Å; K9-T11 PolarHBondContact O-N 3.18Å; K9-T11 PolarHBondContact O-OG1 2.78Å |
| 10 | A | 58.1 | Low | 57.9 | Low | 109 Ų | 109 | 126.7 Ų | 126.7 | 90% | 0.901 | 76% | 0.759 | S | S | * | * | | | trans | -51.4 | 101.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | D12 | A10-D12 PolarHBondContact O-N 3Å; A10-D12 VanDerWaalsContact O-N 3.16Å |
| 11 | T | 64.1 | Low | 58.1 | Low | 106 Ų | 106 | 128 Ų | 128 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | | | trans | -83.4 | 95.6 | 176.1 | -45.2 | 0 | 0 | 0 | 0 | 103.3 | K9 P13 | K9-T11 VanDerWaalsContact C-N 3.26Å; K9-T11 PolarHBondContact O-N 3.18Å; K9-T11 PolarHBondContact O-OG1 2.78Å; T11-P13 VanDerWaalsContact O-CD 3.25Å; T11-P13 WeakPolarHBondContact O-CD 3.25Å; T11-P13 VanDerWaalsContact O-N 3.11Å |
| 12 | D | 64 | Low | 58.6 | Low | 133 Ų | 133 | 123.9 Ų | 123.9 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | | | trans | -47.1 | 115.4 | 163.7 | 174.8 | 55.2 | 0 | 0 | 0 | 107.2 | A10 G14 | A10-D12 PolarHBondContact O-N 3Å; A10-D12 VanDerWaalsContact O-N 3.16Å; D12-G14 PolarHBondContact O-N 2.98Å; D12-G14 PolarHBondContact OD2-N 3.32Å; D12-G14 WeakPolarHBondContact OD2-CA 3.44Å |
| 13 | P | 59.6 | Low | 59 | Low | 120 Ų | 120 | 123 Ų | 123 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | | | trans | -78.2 | 62.7 | 169.1 | 33.6 | -28.1 | 0 | 0 | 0 | 106.3 | T11 H15 | T11-P13 VanDerWaalsContact O-CD 3.25Å; T11-P13 WeakPolarHBondContact O-CD 3.25Å; T11-P13 VanDerWaalsContact O-N 3.11Å; P13-H15 PolarHBondContact O-N 3.25Å |
| 14 | G | 60.1 | Low | 59.7 | Low | 44 Ų | 44 | 118.2 Ų | 118.2 | 45% | 0.454 | 70% | 0.702 | S | S | . | * | | | trans | -59.9 | 122 | 176.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | D12 | D12-G14 PolarHBondContact O-N 2.98Å; D12-G14 PolarHBondContact OD2-N 3.32Å; D12-G14 WeakPolarHBondContact OD2-CA 3.44Å |
| 15 | H | 60.6 | Low | 60 | Low | 157 Ų | 157 | 119.2 Ų | 119.2 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 57.4 | 84.4 | 169.8 | -164.5 | 3.6 | 0 | 0 | 0 | 113.4 | P13 E17 | P13-H15 PolarHBondContact O-N 3.25Å; H15-E17 PolarHBondContact O-N 2.62Å |
| 16 | G | 57.1 | Low | 60 | Low | 64 Ų | 64 | 119.3 Ų | 119.3 | 66% | 0.66 | 69% | 0.691 | S | S | * | * | | | trans | -42.4 | 121.5 | 159 | 0 | 0 | 0 | 0 | 0 | 108.5 | H18 | G16-H18 PolarHBondContact O-N 2.85Š|
| 17 | E | 62.3 | Low | 60.1 | Low | 176 Ų | 176 | 115.2 Ų | 115.2 | 82% | 0.822 | 67% | 0.672 | S | S | * | * | | | trans | -47.6 | 111.6 | -174.6 | -65 | 154.2 | 99.9 | 0 | 0 | 107.3 | H15 T19 | H15-E17 PolarHBondContact O-N 2.62Å; E17-T19 PolarHBondContact O-N 3.4Å |
| 18 | H | 62 | Low | 60.4 | Low | 160 Ų | 160 | 113.5 Ų | 113.5 | 74% | 0.741 | 66% | 0.663 | S | S | * | * | | | trans | -68.7 | 89.3 | 164.2 | -167.5 | 131.3 | 0 | 0 | 0 | 103.7 | G16 S20 | G16-H18 PolarHBondContact O-N 2.85Å; H18-S20 PolarHBondContact O-N 2.89Å |
| 19 | T | 62.2 | Low | 60.6 | Low | 112 Ų | 112 | 115 Ų | 115 | 69% | 0.687 | 66% | 0.655 | S | S | * | * | | | trans | -58.2 | 99.8 | 169.1 | 50.2 | 0 | 0 | 0 | 0 | 104.1 | E17 E21 | E17-T19 PolarHBondContact O-N 3.4Å; T19-E21 PolarHBondContact O-N 3.2Å |
| 20 | S | 63.4 | Low | 61 | Low | 79 Ų | 79 | 115.3 Ų | 115.3 | 55% | 0.552 | 66% | 0.659 | S | S | * | * | | | trans | -56 | 102.8 | 172.3 | -173.6 | 0 | 0 | 0 | 0 | 104.4 | H18 N22 | H18-S20 PolarHBondContact O-N 2.89Å; S20-N22 PolarHBondContact O-N 2.73Å; S20-N22 PolarHBondContact O-ND2 2.86Å |
| 21 | E | 63.6 | Low | 61.1 | Low | 154 Ų | 154 | 113.3 Ų | 113.3 | 72% | 0.72 | 65% | 0.649 | S | S | * | * | | | trans | -63.8 | 96.5 | 172.5 | -154.2 | -178.5 | 111.9 | 0 | 0 | 102.5 | T19 K23 | T19-E21 PolarHBondContact O-N 3.2Å; E21-K23 HydrophobicContact CG-CB 4.36Å; E21-K23 PolarHBondContact O-N 2.8Å |
| 22 | N | 62.8 | Low | 61 | Low | 148 Ų | 148 | 111 Ų | 111 | 79% | 0.791 | 64% | 0.64 | S | S | * | * | | | trans | -72.6 | 52.5 | 177.5 | -74.9 | -89.8 | 0 | 0 | 0 | 107.6 | S20 S24 | S20-N22 PolarHBondContact O-N 2.73Å; S20-N22 PolarHBondContact O-ND2 2.86Å; N22-S24 PolarHBondContact O-N 2.78Å |
| 23 | K | 62.1 | Low | 60.9 | Low | 116 Ų | 116 | 110.3 Ų | 110.3 | 50% | 0.504 | 64% | 0.641 | S | S | . | * | | | trans | -78 | 104.2 | 175.6 | -160.6 | 167.1 | -173 | 156.7 | 0 | 105.1 | E21 E27 | E21-K23 HydrophobicContact CG-CB 4.36Å; E21-K23 PolarHBondContact O-N 2.8Å; K23-E27 WeakPolarHBondContact CA-OE2 3.49Å; K23-E27 HydrophobicContact CD-CB 4.34Å; K23-E27 HydrophobicContact CG-CB 3.8Å; K23-E27 HydrophobicContact CG-CG 4.46Å; K23-E27 WeakPolarHBondContact CG-OE2 3.42Å |
| 24 | S | 61.7 | Low | 61 | Low | 59 Ų | 59 | 108.3 Ų | 108.3 | 41% | 0.413 | 63% | 0.628 | S | S | . | * | | | trans | -44.4 | 128.6 | 169.5 | 174.4 | 0 | 0 | 0 | 0 | 107.7 | N22 E26 E27 | N22-S24 PolarHBondContact O-N 2.78Å; S24-E26 PolarHBondContact O-N 2.77Å; S24-E27 WeakPolarHBondContact CA-OE2 3.19Å; S24-E27 PolarHBondContact N-OE2 3.23Å; S24-E27 WeakPolarHBondContact O-CB 2.99Å; S24-E27 PolarHBondContact O-N 2.95Å |
| 25 | P | 61.2 | Low | 61.2 | Low | 111 Ų | 111 | 111.4 Ų | 111.4 | 72% | 0.721 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -47.3 | -34.4 | -175.8 | -29 | 33.3 | 0 | 0 | 0 | 112.5 | E27 G28 L29 | P25-E27 PolarHBondContact O-N 3.05Å; P25-G28 PolarHBondContact O-N 3.3Å; P25-L29 WeakPolarHBondContact O-CG 3.35Å |
| 26 | E | 58.5 | Low | 61.4 | Low | 142 Ų | 142 | 112.4 Ų | 112.4 | 66% | 0.664 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -63.2 | -29.9 | 179.3 | -164.2 | 136.7 | 79.2 | 0 | 0 | 115.1 | S24 G28 L29 | S24-E26 PolarHBondContact O-N 2.77Å; E26-G28 PolarHBondContact O-N 2.77Å; E26-L29 PolarHBondContact O-N 2.83Å; E26-L29 WeakPolarHBondContact O-CB 2.98Å |
| 27 | E | 60.4 | Low | 61.3 | Low | 99 Ų | 99 | 118.7 Ų | 118.7 | 46% | 0.463 | 65% | 0.65 | S | S | . | * | G | 310 helix | trans | -71.7 | -18.8 | 178.8 | -55.4 | 167.3 | 125.7 | 0 | 0 | 112.3 | K23 S24 P25 | K23-E27 WeakPolarHBondContact CA-OE2 3.49Å; K23-E27 HydrophobicContact CD-CB 4.34Å; K23-E27 HydrophobicContact CG-CB 3.8Å; K23-E27 HydrophobicContact CG-CG 4.46Å; K23-E27 WeakPolarHBondContact CG-OE2 3.42Å; S24-E27 WeakPolarHBondContact CA-OE2 3.19Å; S24-E27 PolarHBondContact N-OE2 3.23Å; S24-E27 WeakPolarHBondContact O-CB 2.99Å; S24-E27 PolarHBondContact O-N 2.95Å; P25-E27 PolarHBondContact O-N 3.05Å |
| 28 | G | 58.7 | Low | 61.2 | Low | 49 Ų | 49 | 116.1 Ų | 116.1 | 51% | 0.505 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -88.9 | -11.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | P25 E26 | P25-G28 PolarHBondContact O-N 3.3Å; E26-G28 PolarHBondContact O-N 2.77Å |
| 29 | L | 58.8 | Low | 61.2 | Low | 96 Ų | 96 | 114 Ų | 114 | 50% | 0.503 | 65% | 0.65 | S | S | . | * | G | 310 helix | trans | -89.5 | -13.9 | -176.2 | -59.3 | 179.7 | 0 | 0 | 0 | 113.6 | P25 E26 G31 A32 | P25-L29 WeakPolarHBondContact O-CG 3.35Å; E26-L29 PolarHBondContact O-N 2.83Å; E26-L29 WeakPolarHBondContact O-CB 2.98Å; L29-G31 PolarHBondContact O-N 3.16Å; L29-A32 PolarHBondContact O-N 3.13Å; L29-A32 HydrophobicContact CD2-CB 3.87Å |
| 30 | Q | 59.3 | Low | 61.3 | Low | 188 Ų | 188 | 112.3 Ų | 112.3 | 88% | 0.879 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -60.7 | -13.6 | 174.8 | -68.5 | -175.6 | -26.1 | 0 | 0 | 113.3 | | |
| 31 | G | 59.8 | Low | 61.2 | Low | 66 Ų | 66 | 113.5 Ų | 113.5 | 68% | 0.68 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -118 | -3.6 | 169 | 0 | 0 | 0 | 0 | 0 | 115.2 | L29 V33 | L29-G31 PolarHBondContact O-N 3.16Å; G31-V33 VanDerWaalsContact C-N 3.34Å; G31-V33 PolarHBondContact O-N 2.99Å; G31-V33 VanDerWaalsContact O-N 3.13Å |
| 32 | A | 62.7 | Low | 61.2 | Low | 57 Ų | 57 | 115.2 Ų | 115.2 | 47% | 0.471 | 66% | 0.664 | S | S | . | * | | | trans | -89.2 | 78.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | L29 | L29-A32 PolarHBondContact O-N 3.13Å; L29-A32 HydrophobicContact CD2-CB 3.87Å |
| 33 | V | 62.6 | Low | 61.3 | Low | 120 Ų | 120 | 111.1 Ų | 111.1 | 73% | 0.727 | 65% | 0.65 | S | S | * | * | | | trans | -49.8 | 139.1 | 167.7 | -165.4 | 0 | 0 | 0 | 0 | 108.5 | G31 S35 | G31-V33 VanDerWaalsContact C-N 3.34Å; G31-V33 PolarHBondContact O-N 2.99Å; G31-V33 VanDerWaalsContact O-N 3.13Å; V33-S35 PolarHBondContact O-N 2.87Å |
| 34 | P | 60.1 | Low | 61.3 | Low | 77 Ų | 77 | 111.3 Ų | 111.3 | 50% | 0.5 | 66% | 0.664 | S | S | . | * | | | trans | -51.7 | 106.6 | -177.2 | 14.5 | -29.7 | 0 | 0 | 0 | 112 | F36 Y37 | P34-F36 PolarHBondContact O-N 3.32Å; P34-Y37 HydrophobicContact CG-CE2 3.47Å; P34-Y37 PolarHBondContact O-N 2.94Å; P34-Y37 VanDerWaalsContact CG-CE2 3.47Å; P34-Y37 HydrophobicContact CG-CD2 3.59Å; P34-Y37 HydrophobicContact CB-CE2 4.21Å; P34-Y37 HydrophobicContact CB-CD2 4.03Å |
| 35 | S | 65.3 | Low | 61.4 | Low | 110 Ų | 110 | 115 Ų | 115 | 77% | 0.769 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -1 | 175.2 | -167 | 0 | 0 | 0 | 0 | 113.5 | V33 | V33-S35 PolarHBondContact O-N 2.87Š|
| 36 | F | 64.8 | Low | 61.7 | Low | 178 Ų | 178 | 113.4 Ų | 113.4 | 78% | 0.781 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.3 | 20.5 | -174.7 | -59.4 | -79.4 | 0 | 0 | 0 | 113 | P34 T38 | P34-F36 PolarHBondContact O-N 3.32Å; F36-T38 PolarHBondContact O-N 2.81Å; F36-T38 PolarHBondContact O-OG1 2.88Å |
| 37 | Y | 55.9 | Low | 62.2 | Low | 195 Ų | 195 | 112.5 Ų | 112.5 | 77% | 0.765 | 68% | 0.68 | S | S | * | * | | | trans | -62.7 | 104.1 | 158.8 | -93.9 | -80.5 | 0 | 0 | 0 | 107.4 | P34 S39 | P34-Y37 HydrophobicContact CG-CE2 3.47Å; P34-Y37 PolarHBondContact O-N 2.94Å; P34-Y37 VanDerWaalsContact CG-CE2 3.47Å; P34-Y37 HydrophobicContact CG-CD2 3.59Å; P34-Y37 HydrophobicContact CB-CE2 4.21Å; P34-Y37 HydrophobicContact CB-CD2 4.03Å; Y37-S39 VanDerWaalsContact C-N 3.28Å; Y37-S39 PolarHBondContact O-N 2.85Å |
| 38 | T | 60.1 | Low | 62.5 | Low | 123 Ų | 123 | 118.3 Ų | 118.3 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | | | trans | -62.6 | 91.3 | -178.4 | -62.6 | 0 | 0 | 0 | 0 | 106.7 | F36 A40 | F36-T38 PolarHBondContact O-N 2.81Å; F36-T38 PolarHBondContact O-OG1 2.88Å; T38-A40 HydrophobicContact CG2-CB 4.31Å; T38-A40 PolarHBondContact O-N 3.3Å |
| 39 | S | 61 | Low | 62.9 | Low | 114 Ų | 114 | 119.2 Ų | 119.2 | 80% | 0.797 | 71% | 0.707 | S | S | * | * | | | trans | -68.3 | 84.4 | 152 | -57.1 | 0 | 0 | 0 | 0 | 104.7 | Y37 S41 | Y37-S39 VanDerWaalsContact C-N 3.28Å; Y37-S39 PolarHBondContact O-N 2.85Å; S39-S41 PolarHBondContact O-N 2.77Å |
| 40 | A | 64.8 | Low | 63.6 | Low | 77 Ų | 77 | 121.2 Ų | 121.2 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | | | trans | -52.5 | 101.5 | 156.3 | 0 | 0 | 0 | 0 | 0 | 103.9 | T38 E42 | T38-A40 HydrophobicContact CG2-CB 4.31Å; T38-A40 PolarHBondContact O-N 3.3Å; A40-E42 PolarHBondContact O-N 2.79Å |
| 41 | S | 61.8 | Low | 64.1 | Low | 104 Ų | 104 | 115.1 Ų | 115.1 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | | | trans | -59.6 | 101.5 | 173.8 | 178.9 | 0 | 0 | 0 | 0 | 104.5 | S39 A43 | S39-S41 PolarHBondContact O-N 2.77Å; S41-A43 PolarHBondContact O-N 2.83Å |
| 42 | E | 61.9 | Low | 65 | Low | 190 Ų | 190 | 119.3 Ų | 119.3 | 89% | 0.888 | 71% | 0.707 | S | S | * | * | | | trans | -71 | 36.2 | 174.3 | -150.8 | 179.9 | 145.6 | 0 | 0 | 109.3 | A40 P44 | A40-E42 PolarHBondContact O-N 2.79Å; E42-P44 VanDerWaalsContact O-CD 3.25Å; E42-P44 WeakPolarHBondContact O-CD 3.25Å; E42-P44 VanDerWaalsContact O-N 3.14Å |
| 43 | A | 66.1 | Low | 65.6 | Low | 62 Ų | 62 | 126.9 Ų | 126.9 | 51% | 0.512 | 73% | 0.725 | S | S | . | * | | | trans | -60.1 | 118.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 104.7 | S41 I45 | S41-A43 PolarHBondContact O-N 2.83Å; A43-I45 PolarHBondContact O-N 2.83Å |
| 44 | P | 62.3 | Low | 66.3 | Low | 121 Ų | 121 | 126.3 Ų | 126.3 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | | | trans | -55.8 | 113.6 | 173.2 | 21.2 | -29.2 | 0 | 0 | 0 | 105.6 | E42 A46 | E42-P44 VanDerWaalsContact O-CD 3.25Å; E42-P44 WeakPolarHBondContact O-CD 3.25Å; E42-P44 VanDerWaalsContact O-N 3.14Å; P44-A46 VanDerWaalsContact C-N 3.34Å; P44-A46 PolarHBondContact O-N 2.86Å |
| 45 | I | 64.1 | Low | 66.9 | Low | 136 Ų | 136 | 128.6 Ų | 128.6 | 70% | 0.697 | 74% | 0.741 | S | S | * | * | | | trans | -51 | 110.9 | 164.3 | 42.7 | 170.6 | 0 | 0 | 0 | 104.1 | A43 | A43-I45 PolarHBondContact O-N 2.83Š|
| 46 | A | 66.8 | Low | 67.1 | Low | 78 Ų | 78 | 127.6 Ų | 127.6 | 65% | 0.645 | 74% | 0.735 | S | S | * | * | | | trans | -45.8 | 143.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | P44 R48 | P44-A46 VanDerWaalsContact C-N 3.34Å; P44-A46 PolarHBondContact O-N 2.86Å; A46-R48 PolarHBondContact O-N 2.82Å |
| 47 | P | 69 | Low | 67.2 | Low | 123 Ų | 123 | 125.3 Ų | 125.3 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | | | trans | -44.3 | 117 | -176.3 | -24.4 | 30.4 | 0 | 0 | 0 | 107.5 | G49 | P47-G49 PolarHBondContact O-N 2.86Š|
| 48 | R | 66.3 | Low | 67.8 | Low | 221 Ų | 221 | 125.5 Ų | 125.5 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | | | trans | -49.5 | 113.4 | 173.9 | -74.7 | 178.1 | -179.3 | 168.1 | 0.4 | 103.1 | A46 | A46-R48 PolarHBondContact O-N 2.82Š|
| 49 | G | 67.9 | Low | 68.2 | Low | 67 Ų | 67 | 125.6 Ų | 125.6 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | | | trans | -48.3 | 150.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | P47 G51 | P47-G49 PolarHBondContact O-N 2.86Å; G49-G51 PolarHBondContact O-N 3.21Å |
| 50 | D | 72.8 | Confident | 68.6 | Low | 139 Ų | 139 | 126.2 Ų | 126.2 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | | | trans | -63.7 | 21.3 | -166.1 | -154.5 | 4.9 | 0 | 0 | 0 | 114.9 | H52 | D50-H52 PolarHBondContact O-CD2 2.92Å; D50-H52 VanDerWaalsContact O-CD2 3.23Å; D50-H52 PolarHBondContact O-N 3.23Å; D50-H52 IonicContact OD2-CD2 3.65Å; D50-H52 IonicContact OD2-NE2 3.8Å |
| 51 | G | 70.1 | Confident | 68.8 | Low | 60 Ų | 60 | 128.9 Ų | 128.9 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 69 | -3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G49 Y53 | G49-G51 PolarHBondContact O-N 3.21Å; G51-Y53 PolarHBondContact O-N 2.63Å |
| 52 | H | 78.3 | Confident | 69.2 | Low | 153 Ų | 153 | 130.4 Ų | 130.4 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | | | trans | -79.6 | 103.8 | -176.3 | -66 | -50.5 | 0 | 0 | 0 | 110.5 | D50 | D50-H52 PolarHBondContact O-CD2 2.92Å; D50-H52 VanDerWaalsContact O-CD2 3.23Å; D50-H52 PolarHBondContact O-N 3.23Å; D50-H52 IonicContact OD2-CD2 3.65Å; D50-H52 IonicContact OD2-NE2 3.8Å |
| 53 | Y | 75.9 | Confident | 69.7 | Low | 217 Ų | 217 | 126.7 Ų | 126.7 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | | | trans | -60.8 | 138.3 | 164.1 | -73.2 | -86.3 | 0 | 0 | 0 | 109.2 | G51 S55 | G51-Y53 PolarHBondContact O-N 2.63Å; Y53-S55 PolarHBondContact O-N 3.07Å |
| 54 | P | 77 | Confident | 69.9 | Low | 108 Ų | 108 | 131 Ų | 131 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | trans | -63.1 | 116.1 | 175.1 | 25.9 | -31.8 | 0 | 0 | 0 | 108.3 | S56 | P54-S56 PolarHBondContact O-N 3.22Å; P54-S56 PolarHBondContact O-OG 2.77Å |
| 55 | S | 72.1 | Confident | 70.5 | Confident | 124 Ų | 124 | 131.7 Ų | 131.7 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | | | trans | -65.2 | 88.5 | 175.2 | 59.2 | 0 | 0 | 0 | 0 | 108.9 | Y53 | Y53-S55 PolarHBondContact O-N 3.07Š|
| 56 | S | 70.8 | Confident | 71 | Confident | 90 Ų | 90 | 131.4 Ų | 131.4 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | | | trans | -114.6 | 86.4 | 178.6 | -43.9 | 0 | 0 | 0 | 0 | 107.5 | P54 | P54-S56 PolarHBondContact O-N 3.22Å; P54-S56 PolarHBondContact O-OG 2.77Å |
| 57 | C | 65.4 | Low | 71.3 | Confident | 130 Ų | 130 | 135.8 Ų | 135.8 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | | | trans | -129 | 98.4 | 161.9 | -70.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 58 | P | 70.2 | Confident | 71.5 | Confident | 198 Ų | 198 | 137 Ų | 137 | 100% | 1.286 | 80% | 0.801 | S | S | * | * | | | trans | -75.9 | 0 | 145.1 | 32.4 | -28.3 | 0 | 0 | 0 | 110.9 | | |