| 1 | E | 51.3 | Low | 54.9 | Low | 243 Ų | 243 | 149.2 Ų | 149.2 | 100% | 1.136 | 84% | 0.841 | S | S | * | * | | | | 0 | 123.6 | 0 | -60.5 | -174.8 | 106.4 | 0 | 0 | 107.4 | | |
| 2 | E | 51 | Low | 54.9 | Low | 178 Ų | 178 | 153.3 Ų | 153.3 | 83% | 0.832 | 85% | 0.848 | S | S | * | * | | | trans | -168.4 | 131.8 | 134.9 | -164.8 | 165.5 | 113.3 | 0 | 0 | 106.8 | | |
| 3 | K | 49.6 | Very low | 55.4 | Low | 190 Ų | 190 | 154.5 Ų | 154.5 | 83% | 0.826 | 84% | 0.844 | S | S | * | * | | | trans | -106.5 | 129.8 | -175.2 | -58.5 | 162.6 | -175.4 | -78.6 | 0 | 106 | | |
| 4 | L | 57.1 | Low | 56 | Low | 163 Ų | 163 | 148.1 Ų | 148.1 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | | | trans | -123.7 | 98 | 155.7 | -80.7 | 125.8 | 0 | 0 | 0 | 107.4 | | |
| 5 | A | 55.6 | Low | 56.5 | Low | 102 Ų | 102 | 146.8 Ų | 146.8 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | | | trans | -77.3 | 139.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 6 | G | 56.1 | Low | 57 | Low | 68 Ų | 68 | 148.2 Ų | 148.2 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | | | trans | 161.2 | 100.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 7 | E | 54.2 | Low | 57.4 | Low | 179 Ų | 179 | 150.2 Ų | 150.2 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | | | trans | 68.7 | 97.5 | 155.9 | -79.7 | 165.2 | 74.3 | 0 | 0 | 119.1 | | |
| 8 | E | 53.3 | Low | 57.9 | Low | 192 Ų | 192 | 152.7 Ų | 152.7 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | | | | -139.8 | 98.4 | 119.9 | -110.1 | -174.6 | 114.3 | 0 | 0 | 108.1 | A10 | E8-A10 PolarHBondContact O-N 3.05Š|
| 9 | L | 57.7 | Low | 58.3 | Low | 170 Ų | 170 | 149.6 Ų | 149.6 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | | | trans | -73.8 | 99.6 | 167.3 | -64.9 | 171 | 0 | 0 | 0 | 107.3 | | |
| 10 | A | 61.8 | Low | 58.5 | Low | 84 Ų | 84 | 150.9 Ų | 150.9 | 69% | 0.694 | 82% | 0.821 | S | S | * | * | | | trans | -139.1 | 90.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | E8 | E8-A10 PolarHBondContact O-N 3.05Š|
| 11 | G | 56.3 | Low | 58.7 | Low | 72 Ų | 72 | 150.8 Ų | 150.8 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | | | trans | 62.6 | 94.3 | 147.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | E13 | G11-E13 PolarHBondContact O-N 2.79Š|
| 12 | E | 54.7 | Low | 59.5 | Low | 198 Ų | 198 | 147.6 Ų | 147.6 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | | | trans | -57.7 | 86.9 | 150.1 | -175.7 | 170.9 | 89.9 | 0 | 0 | 108.4 | A14 | E12-A14 PolarHBondContact O-N 3.16Š|
| 13 | E | 61.2 | Low | 60.1 | Low | 170 Ų | 170 | 144.2 Ų | 144.2 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | -89.6 | 84.9 | 165.9 | -135 | -172.1 | 119.8 | 0 | 0 | 107.3 | G11 | G11-E13 PolarHBondContact O-N 2.79Š|
| 14 | A | 63.7 | Low | 60.9 | Low | 64 Ų | 64 | 140.5 Ų | 140.5 | 53% | 0.529 | 79% | 0.794 | S | S | . | * | | | trans | -52.9 | 137.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | E12 Q16 | E12-A14 PolarHBondContact O-N 3.16Å; A14-Q16 PolarHBondContact O-N 2.95Å |
| 15 | P | 63.7 | Low | 61.2 | Low | 129 Ų | 129 | 137.9 Ų | 137.9 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | | | trans | -56.5 | 111.2 | 171.9 | -18.3 | 28.6 | 0 | 0 | 0 | 107.5 | E17 | P15-E17 PolarHBondContact O-N 2.88Š|
| 16 | Q | 65.3 | Low | 62 | Low | 169 Ų | 169 | 139.2 Ų | 139.2 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | trans | -52.8 | 114.1 | 178.8 | -68.4 | -179.4 | -29.8 | 0 | 0 | 107.4 | A14 K18 | A14-Q16 PolarHBondContact O-N 2.95Å; Q16-K18 PolarHBondContact O-N 3.33Å; Q16-K18 VanDerWaalsContact O-N 3.16Å |
| 17 | E | 63.7 | Low | 62.8 | Low | 183 Ų | 183 | 142.8 Ų | 142.8 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | | | trans | -46.2 | 123.3 | 172.8 | -174.3 | 178 | 134.8 | 0 | 0 | 107.4 | P15 A19 | P15-E17 PolarHBondContact O-N 2.88Å; E17-A19 VanDerWaalsContact C-N 3.34Å; E17-A19 PolarHBondContact O-N 2.81Å |
| 18 | K | 65.6 | Low | 63.9 | Low | 195 Ų | 195 | 138.5 Ų | 138.5 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | | | trans | -56.9 | 103 | 178.3 | 5.2 | -91.8 | -180 | 169.9 | 0 | 106.6 | Q16 E20 | Q16-K18 PolarHBondContact O-N 3.33Å; Q16-K18 VanDerWaalsContact O-N 3.16Å; K18-E20 PolarHBondContact O-N 3.27Å |
| 19 | A | 65.3 | Low | 65 | Low | 93 Ų | 93 | 133.2 Ų | 133.2 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | trans | -57.1 | 117.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | E17 D21 | E17-A19 VanDerWaalsContact C-N 3.34Å; E17-A19 PolarHBondContact O-N 2.81Å; A19-D21 PolarHBondContact O-N 2.92Å; A19-D21 VanDerWaalsContact O-N 3.12Å |
| 20 | E | 61.9 | Low | 65.8 | Low | 175 Ų | 175 | 131.2 Ų | 131.2 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | -38 | 116.6 | 169.3 | -167.7 | 172.4 | 142.8 | 0 | 0 | 109.1 | K18 K22 | K18-E20 PolarHBondContact O-N 3.27Å; E20-K22 VanDerWaalsContact C-N 3.26Å; E20-K22 PolarHBondContact O-N 3.12Å |
| 21 | D | 63.9 | Low | 66.6 | Low | 150 Ų | 150 | 133.9 Ų | 133.9 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | | | trans | -60.4 | 96.7 | 173.3 | -171.7 | -110.4 | 0 | 0 | 0 | 106.3 | A19 | A19-D21 PolarHBondContact O-N 2.92Å; A19-D21 VanDerWaalsContact O-N 3.12Å |
| 22 | K | 68.2 | Low | 67.6 | Low | 175 Ų | 175 | 138.6 Ų | 138.6 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | | | trans | -57.5 | 134.1 | 174.1 | -62.2 | -174.6 | -178.6 | -178.7 | 0 | 105.8 | E20 S24 | E20-K22 VanDerWaalsContact C-N 3.26Å; E20-K22 PolarHBondContact O-N 3.12Å; K22-S24 PolarHBondContact O-N 2.8Å |
| 23 | P | 62.3 | Low | 68.8 | Low | 108 Ų | 108 | 132.5 Ų | 132.5 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | trans | -58 | 117 | 173.5 | 25.5 | -32.4 | 0 | 0 | 0 | 106.6 | T25 | P23-T25 PolarHBondContact O-N 2.83Š|
| 24 | S | 66.2 | Low | 69.6 | Low | 112 Ų | 112 | 133.2 Ų | 133.2 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | | | trans | -67.1 | 86 | 171 | 56 | 0 | 0 | 0 | 0 | 106.8 | K22 D26 | K22-S24 PolarHBondContact O-N 2.8Å; S24-D26 PolarHBondContact O-N 2.75Å |
| 25 | T | 65 | Low | 70 | Confident | 107 Ų | 107 | 134.1 Ų | 134.1 | 66% | 0.656 | 77% | 0.772 | S | S | * | * | | | trans | -66.2 | 88.4 | 159.1 | 16.6 | 0 | 0 | 0 | 0 | 105.6 | P23 L27 | P23-T25 PolarHBondContact O-N 2.83Å; T25-L27 HydrophobicContact CG2-CD2 4.15Å; T25-L27 PolarHBondContact O-N 2.81Å |
| 26 | D | 72.2 | Confident | 70.4 | Confident | 130 Ų | 130 | 134.2 Ų | 134.2 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | | | trans | -65.5 | 84.9 | 167.2 | -172.4 | 55.9 | 0 | 0 | 0 | 107.2 | S24 S28 | S24-D26 PolarHBondContact O-N 2.75Å; D26-S28 PolarHBondContact O-N 2.85Å; D26-S28 PolarHBondContact OD2-OG 3.01Å |
| 27 | L | 72.2 | Confident | 70.8 | Confident | 144 Ų | 144 | 131 Ų | 131 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | | | trans | -82.5 | 64.1 | 174.3 | -56.7 | -176.8 | 0 | 0 | 0 | 107.6 | T25 A29 | T25-L27 HydrophobicContact CG2-CD2 4.15Å; T25-L27 PolarHBondContact O-N 2.81Å; L27-A29 PolarHBondContact O-N 3.15Å; L27-A29 VanDerWaalsContact O-N 3.15Å |
| 28 | S | 78.2 | Confident | 71.4 | Confident | 89 Ų | 89 | 131.1 Ų | 131.1 | 62% | 0.622 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 123.2 | 169.1 | -81.1 | 0 | 0 | 0 | 0 | 108.3 | D26 | D26-S28 PolarHBondContact O-N 2.85Å; D26-S28 PolarHBondContact OD2-OG 3.01Å |
| 29 | A | 76.8 | Confident | 71.7 | Confident | 80 Ų | 80 | 131.5 Ų | 131.5 | 66% | 0.661 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 142.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110 | L27 V31 | L27-A29 PolarHBondContact O-N 3.15Å; L27-A29 VanDerWaalsContact O-N 3.15Å; A29-V31 PolarHBondContact O-N 3.07Å |
| 30 | P | 73.9 | Confident | 72 | Confident | 128 Ų | 128 | 130 Ų | 130 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 118 | 175.6 | 23.2 | -30.3 | 0 | 0 | 0 | 109.3 | N32 | P30-N32 PolarHBondContact O-N 3Š|
| 31 | V | 78.3 | Confident | 72.1 | Confident | 141 Ų | 141 | 130.3 Ų | 130.3 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 120.6 | 177.4 | -79.4 | 0 | 0 | 0 | 0 | 109.3 | A29 G33 | A29-V31 PolarHBondContact O-N 3.07Å; V31-G33 VanDerWaalsContact C-N 3.35Å; V31-G33 PolarHBondContact O-N 3.39Å |
| 32 | N | 76.6 | Confident | 72.2 | Confident | 171 Ų | 171 | 129 Ų | 129 | 91% | 0.914 | 77% | 0.767 | S | S | * | * | | | trans | -76.1 | 89.4 | 174.7 | -131.3 | 30.4 | 0 | 0 | 0 | 108.1 | P30 E34 | P30-N32 PolarHBondContact O-N 3Å; N32-E34 PolarHBondContact O-N 3.35Å |
| 33 | G | 80.5 | Confident | 72.2 | Confident | 69 Ų | 69 | 124.6 Ų | 124.6 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | trans | -68.5 | 119 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V31 A35 | V31-G33 VanDerWaalsContact C-N 3.35Å; V31-G33 PolarHBondContact O-N 3.39Å; G33-A35 PolarHBondContact O-N 3.24Å |
| 34 | E | 77.5 | Confident | 72.3 | Confident | 186 Ų | 186 | 126.5 Ų | 126.5 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | | | trans | -73.8 | 110.1 | 172.9 | -160.7 | 173.9 | 102.5 | 0 | 0 | 108.7 | N32 T36 | N32-E34 PolarHBondContact O-N 3.35Å; E34-T36 PolarHBondContact O-N 2.86Å |
| 35 | A | 73.7 | Confident | 72.5 | Confident | 83 Ų | 83 | 128.1 Ų | 128.1 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | | | trans | -78.4 | 103.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | G33 S37 | G33-A35 PolarHBondContact O-N 3.24Å; A35-S37 PolarHBondContact O-N 3.24Å |
| 36 | T | 70.9 | Confident | 72.6 | Confident | 130 Ų | 130 | 130.4 Ų | 130.4 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | | | trans | -74.3 | 76.8 | 169.5 | 52.6 | 0 | 0 | 0 | 0 | 109.7 | E34 Q38 | E34-T36 PolarHBondContact O-N 2.86Å; T36-Q38 PolarHBondContact O-N 3.04Å |
| 37 | S | 74.1 | Confident | 72.2 | Confident | 102 Ų | 102 | 131.3 Ų | 131.3 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | | | trans | -75.4 | 91.4 | 173.7 | -68.8 | 0 | 0 | 0 | 0 | 109.6 | A35 K39 | A35-S37 PolarHBondContact O-N 3.24Å; S37-K39 VanDerWaalsContact C-N 3.33Å; S37-K39 PolarHBondContact O-N 2.92Å |
| 38 | Q | 76.1 | Confident | 71.9 | Confident | 186 Ų | 186 | 131.5 Ų | 131.5 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | | | trans | -69.6 | 92.7 | 165.2 | -174.5 | 177.3 | -70.6 | 0 | 0 | 108.1 | T36 G40 | T36-Q38 PolarHBondContact O-N 3.04Å; Q38-G40 VanDerWaalsContact C-N 3.28Å; Q38-G40 PolarHBondContact O-N 2.98Å |
| 39 | K | 72.9 | Confident | 71.1 | Confident | 203 Ų | 203 | 135.2 Ų | 135.2 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | | | trans | -66.3 | 94.2 | 163.9 | -80.8 | -153 | 177.2 | -142.8 | 0 | 107.8 | S37 E41 | S37-K39 VanDerWaalsContact C-N 3.33Å; S37-K39 PolarHBondContact O-N 2.92Å; K39-E41 PolarHBondContact O-N 3Å |
| 40 | G | 71 | Confident | 70.3 | Confident | 62 Ų | 62 | 138.6 Ų | 138.6 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | | | trans | -62.2 | 119.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q38 | Q38-G40 VanDerWaalsContact C-N 3.28Å; Q38-G40 PolarHBondContact O-N 2.98Å |
| 41 | E | 64 | Low | 69.7 | Low | 180 Ų | 180 | 135.2 Ų | 135.2 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | | | trans | 33 | 93.4 | 153.4 | -158.8 | 165.8 | 103.4 | 0 | 0 | 116.8 | K39 A43 | K39-E41 PolarHBondContact O-N 3Å; E41-A43 VanDerWaalsContact C-N 3.32Å; E41-A43 PolarHBondContact O-N 3.3Å |
| 42 | S | 66.4 | Low | 68.8 | Low | 122 Ų | 122 | 140.7 Ų | 140.7 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | | | trans | -69.8 | 91.8 | 160 | 49.5 | 0 | 0 | 0 | 0 | 108.8 | E44 | S42-E44 PolarHBondContact O-N 3.21Š|
| 43 | A | 66.7 | Low | 68.3 | Low | 83 Ų | 83 | 139.9 Ų | 139.9 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | | | trans | -66.5 | 120.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | E41 D45 | E41-A43 VanDerWaalsContact C-N 3.32Å; E41-A43 PolarHBondContact O-N 3.3Å; A43-D45 PolarHBondContact O-N 3.28Å |
| 44 | E | 66.3 | Low | 67.5 | Low | 149 Ų | 149 | 142.4 Ų | 142.4 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | | | trans | -37.9 | 110.1 | 175.4 | -169.2 | 173.6 | 112.3 | 0 | 0 | 113.6 | S42 K46 | S42-E44 PolarHBondContact O-N 3.21Å; E44-K46 PolarHBondContact OE2-NZ 3.35Å; E44-K46 VanDerWaalsContact OE2-NZ 3.12Å; E44-K46 IonicContact OE2-NZ 3.12Å; E44-K46 PolarHBondContact OE1-NZ 3.25Å; E44-K46 WeakPolarHBondContact OE1-CE 3.35Å; E44-K46 HydrophobicContact CG-CG 3.89Å; E44-K46 HydrophobicContact CG-CD 4.01Å; E44-K46 VanDerWaalsContact CD-CE 3.46Å; E44-K46 IonicContact OE1-NZ 2.72Å |
| 45 | D | 69.9 | Low | 67 | Low | 145 Ų | 145 | 142.9 Ų | 142.9 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | | | trans | -107.3 | 83.1 | 163.6 | -169.1 | 27.8 | 0 | 0 | 0 | 108.6 | A43 E47 | A43-D45 PolarHBondContact O-N 3.28Å; D45-E47 VanDerWaalsContact C-N 3.3Å; D45-E47 PolarHBondContact O-N 2.98Å |
| 46 | K | 65.9 | Low | 66.4 | Low | 155 Ų | 155 | 148.1 Ų | 148.1 | 67% | 0.674 | 78% | 0.778 | S | S | * | * | | | trans | -80.2 | 84.6 | 166.4 | -74.7 | 171.4 | -175.9 | 149.7 | 0 | 107.3 | E44 H48 | E44-K46 PolarHBondContact OE2-NZ 3.35Å; E44-K46 VanDerWaalsContact OE2-NZ 3.12Å; E44-K46 IonicContact OE2-NZ 3.12Å; E44-K46 PolarHBondContact OE1-NZ 3.25Å; E44-K46 WeakPolarHBondContact OE1-CE 3.35Å; E44-K46 HydrophobicContact CG-CG 3.89Å; E44-K46 HydrophobicContact CG-CD 4.01Å; E44-K46 VanDerWaalsContact CD-CE 3.46Å; E44-K46 IonicContact OE1-NZ 2.72Å; K46-H48 PolarHBondContact O-N 2.82Å; K46-H48 VanDerWaalsContact O-N 3.15Å |
| 47 | E | 64.6 | Low | 66.2 | Low | 149 Ų | 149 | 144.6 Ų | 144.6 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | | | trans | -73.6 | 104 | 160.5 | -156.8 | 178.6 | -179.6 | 0 | 0 | 108 | D45 E49 | D45-E47 VanDerWaalsContact C-N 3.3Å; D45-E47 PolarHBondContact O-N 2.98Å; E47-E49 PolarHBondContact O-N 3.2Å |
| 48 | H | 65.4 | Low | 65.5 | Low | 149 Ų | 149 | 146 Ų | 146 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | | | trans | -72.3 | 98.5 | 165.3 | 177.1 | 71.2 | 0 | 0 | 0 | 107.2 | K46 | K46-H48 PolarHBondContact O-N 2.82Å; K46-H48 VanDerWaalsContact O-N 3.15Å |
| 49 | E | 62.2 | Low | 65.3 | Low | 167 Ų | 167 | 148.7 Ų | 148.7 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | | | trans | -108.9 | 112.1 | 163.6 | -144.8 | 178.5 | 147.6 | 0 | 0 | 109.4 | E47 | E47-E49 PolarHBondContact O-N 3.2Š|
| 50 | E | 60 | Low | 64.8 | Low | 151 Ų | 151 | 145.3 Ų | 145.3 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | trans | -56.2 | 155.7 | 176.8 | -71.5 | 147.5 | 116.3 | 0 | 0 | 112.4 | | |
| 51 | G | 61 | Low | 64.4 | Low | 56 Ų | 56 | 145.7 Ų | 145.7 | 58% | 0.577 | 78% | 0.781 | S | S | * | * | | | trans | 91.7 | 60 | 150.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | D53 | G51-D53 PolarHBondContact O-N 3.15Š|
| 52 | R | 59.9 | Low | 64.5 | Low | 256 Ų | 256 | 142.9 Ų | 142.9 | 97% | 0.966 | 78% | 0.781 | S | S | * | * | | | trans | -74.2 | 59.3 | 146.1 | -67.4 | -146.8 | -156.7 | -172.4 | 9 | 110.8 | | |
| 53 | D | 64.4 | Low | 64.7 | Low | 154 Ų | 154 | 142.5 Ų | 142.5 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | | | trans | -130.8 | 55.4 | 173.7 | -106.7 | -33.6 | 0 | 0 | 0 | 109.5 | G51 | G51-D53 PolarHBondContact O-N 3.15Š|
| 54 | S | 64.9 | Low | 64.7 | Low | 122 Ų | 122 | 146.3 Ų | 146.3 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | -111.6 | 41.9 | 174.1 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 55 | E | 67.3 | Low | 65.1 | Low | 196 Ų | 196 | 146 Ų | 146 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | | | trans | -121.2 | 79.5 | 161 | -154.7 | -176.1 | 114.5 | 0 | 0 | 109.5 | | |
| 56 | E | 61.3 | Low | 65.1 | Low | 193 Ų | 193 | 145.2 Ų | 145.2 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | | | trans | -115.3 | 97.4 | 163.8 | -175.8 | 164.3 | 83.8 | 0 | 0 | 110.2 | | |
| 57 | G | 65.4 | Low | 65.2 | Low | 56 Ų | 56 | 146 Ų | 146 | 58% | 0.577 | 79% | 0.786 | S | S | * | * | | | trans | 76.8 | 147.5 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 58 | P | 60.8 | Low | 65 | Low | 131 Ų | 131 | 150.5 Ų | 150.5 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | | | cis | -100.4 | 124.8 | 48.6 | -7.3 | 25.7 | 0 | 0 | 0 | 112.6 | C60 | P58-C60 PolarHBondContact O-N 2.72Š|
| 59 | R | 70.6 | Confident | 65 | Low | 243 Ų | 243 | 150.6 Ų | 150.6 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | | | trans | -67 | 113.7 | 164 | -63.2 | -86.4 | -148.4 | 154.6 | 7.5 | 106.7 | G61 | R59-G61 VanDerWaalsContact C-N 3.3Å; R59-G61 PolarHBondContact O-N 3.12Å |
| 60 | C | 63.6 | Low | 65.1 | Low | 132 Ų | 132 | 149.7 Ų | 149.7 | 89% | 0.892 | 82% | 0.823 | S | S | * | * | | | trans | -59.7 | 96 | 167.8 | -67.1 | 0 | 0 | 0 | 0 | 108.5 | P58 S62 | P58-C60 PolarHBondContact O-N 2.72Å; C60-S62 PolarHBondContact O-N 3.24Å |
| 61 | G | 62.3 | Low | 65.4 | Low | 70 Ų | 70 | 149.7 Ų | 149.7 | 72% | 0.722 | 83% | 0.83 | S | S | * | * | | | trans | -68.9 | 111.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | R59 S63 | R59-G61 VanDerWaalsContact C-N 3.3Å; R59-G61 PolarHBondContact O-N 3.12Å; G61-S63 PolarHBondContact O-N 3.25Å |
| 62 | S | 65.6 | Low | 65.6 | Low | 122 Ų | 122 | 155.2 Ų | 155.2 | 85% | 0.853 | 85% | 0.845 | S | S | * | * | | | trans | -59.8 | 113.8 | 166 | -164.6 | 0 | 0 | 0 | 0 | 108.7 | C60 | C60-S62 PolarHBondContact O-N 3.24Š|
| 63 | S | 70.5 | Confident | 66 | Low | 114 Ų | 114 | 148.9 Ų | 148.9 | 80% | 0.797 | 84% | 0.837 | S | S | * | * | | | trans | -102.7 | 98 | 164.1 | 65.4 | 0 | 0 | 0 | 0 | 108.5 | G61 | G61-S63 PolarHBondContact O-N 3.25Š|
| 64 | E | 66.4 | Low | 66.1 | Low | 162 Ų | 162 | 148.5 Ų | 148.5 | 76% | 0.757 | 84% | 0.838 | S | S | * | * | | | trans | -81 | 111.1 | 157.5 | -177 | 145.5 | 70.4 | 0 | 0 | 106.5 | L66 | E64-L66 HydrophobicContact CG-CB 4.47Å; E64-L66 HydrophobicContact CG-CD1 3.84Å; E64-L66 HydrophobicContact CG-CG 4.23Å |
| 65 | D | 75.3 | Confident | 66.2 | Low | 144 Ų | 144 | 150.4 Ų | 150.4 | 77% | 0.77 | 84% | 0.837 | S | S | * | * | | | trans | -103.6 | 103 | 170.7 | -164.9 | -98.7 | 0 | 0 | 0 | 107.3 | | |
| 66 | L | 69.7 | Low | 66.1 | Low | 127 Ų | 127 | 146.9 Ų | 146.9 | 67% | 0.665 | 83% | 0.831 | S | S | * | * | | | trans | -119.6 | 66.8 | -179.8 | -105.1 | 167.6 | 0 | 0 | 0 | 108.7 | E64 | E64-L66 HydrophobicContact CG-CB 4.47Å; E64-L66 HydrophobicContact CG-CD1 3.84Å; E64-L66 HydrophobicContact CG-CG 4.23Å |
| 67 | H | 68.5 | Low | 66.5 | Low | 172 Ų | 172 | 143.1 Ų | 143.1 | 80% | 0.796 | 83% | 0.825 | S | S | * | * | | | trans | -149.8 | 91.1 | 167.9 | -66 | -63.3 | 0 | 0 | 0 | 112.4 | | |
| 68 | D | 59.6 | Low | 66.6 | Low | 244 Ų | 244 | 151 Ų | 151 | 100% | 1.305 | 85% | 0.848 | S | S | * | * | | | | -166.9 | 0 | 113.8 | -145.2 | -104.7 | 0 | 0 | 0 | 110.2 | | |