| 1 | M | 79.2 | Confident | 82.8 | Confident | 246 Ų | 246 | 168.8 Ų | 168.8 | 100% | 1.212 | 83% | 0.833 | S | S | * | * | | | | 0 | 111.3 | 0 | -68.2 | 162.8 | 178.4 | 0 | 0 | 107.7 | | |
| 2 | S | 81.8 | Confident | 83.1 | Confident | 126 Ų | 126 | 162.8 Ų | 162.8 | 88% | 0.881 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 138.2 | 177.6 | -63.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 3 | R | 84.6 | Confident | 83 | Confident | 229 Ų | 229 | 163.3 Ų | 163.3 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 143.1 | -179.9 | -77.1 | 178.3 | 156.2 | 177 | -5.9 | 110.7 | V5 | R3-V5 PolarHBondContact O-N 3.42Š|
| 4 | P | 80.8 | Confident | 82.9 | Confident | 115 Ų | 115 | 157.1 Ų | 157.1 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 126.2 | 174.3 | 25.8 | -30.6 | 0 | 0 | 0 | 109.8 | | |
| 5 | V | 81.5 | Confident | 82.4 | Confident | 127 Ų | 127 | 154.5 Ų | 154.5 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 123.2 | 173.9 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | R3 | R3-V5 PolarHBondContact O-N 3.42Š|
| 6 | R | 83.2 | Confident | 81.9 | Confident | 213 Ų | 213 | 153.1 Ų | 153.1 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 125.9 | 169.4 | -79.3 | -175.2 | 175.5 | 86.3 | -2.4 | 108.5 | R8 | R6-R8 PolarHBondContact O-N 3.21Å; R6-R8 VanDerWaalsContact O-N 3.09Å |
| 7 | N | 82.5 | Confident | 81 | Confident | 153 Ų | 153 | 153.1 Ų | 153.1 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | -63.2 | 110.4 | 175.6 | -57.1 | -10.2 | 0 | 0 | 0 | 108.5 | | |
| 8 | R | 81.3 | Confident | 80.1 | Confident | 231 Ų | 231 | 154.2 Ų | 154.2 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | | | trans | -94.4 | 113.4 | 171.9 | -65.4 | 172.7 | -167.6 | 158.6 | 1.6 | 106.9 | R6 | R6-R8 PolarHBondContact O-N 3.21Å; R6-R8 VanDerWaalsContact O-N 3.09Å |
| 9 | K | 87.3 | Confident | 79.2 | Confident | 192 Ų | 192 | 150.9 Ų | 150.9 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 130.9 | 170.4 | -61.7 | 178.7 | 74.4 | 158.1 | 0 | 107 | V11 | K9-V11 PolarHBondContact O-N 3.18Š|
| 10 | V | 81.9 | Confident | 78.3 | Confident | 144 Ų | 144 | 150.5 Ų | 150.5 | 87% | 0.873 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 127.8 | 173.1 | -172.7 | 0 | 0 | 0 | 0 | 106.8 | | |
| 11 | V | 87.2 | Confident | 77.4 | Confident | 81 Ų | 81 | 149.1 Ų | 149.1 | 49% | 0.491 | 74% | 0.743 | S | S | . | * | P | Polyproline II helix | trans | -87.6 | 121.9 | 174.8 | 175.5 | 0 | 0 | 0 | 0 | 106.8 | K9 Y13 | K9-V11 PolarHBondContact O-N 3.18Å; V11-Y13 HydrophobicContact CB-CE2 4.36Å; V11-Y13 HydrophobicContact CG1-CE1 4.24Å; V11-Y13 HydrophobicContact CG1-CE2 4.27Å |
| 12 | D | 85.6 | Confident | 76.5 | Confident | 97 Ų | 97 | 140.9 Ų | 140.9 | 52% | 0.519 | 71% | 0.713 | S | S | . | * | P | Polyproline II helix | trans | -79.8 | 127.3 | 171.1 | -174.5 | 5.7 | 0 | 0 | 0 | 108.8 | S14 Q15 | D12-S14 WeakPolarHBondContact OD1-CB 3.43Å; D12-S14 PolarHBondContact OD1-N 3.44Å; D12-Q15 HydrophobicContact CB-CG 4.47Å; D12-Q15 WeakPolarHBondContact O-CG 3.44Å; D12-Q15 PolarHBondContact O-NE2 2.99Å |
| 13 | Y | 82.1 | Confident | 75.7 | Confident | 169 Ų | 169 | 141.5 Ų | 141.5 | 66% | 0.663 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -96.6 | -5.9 | 176.9 | -68.8 | -81.5 | 0 | 0 | 0 | 112.3 | V11 Q15 F16 | V11-Y13 HydrophobicContact CB-CE2 4.36Å; V11-Y13 HydrophobicContact CG1-CE1 4.24Å; V11-Y13 HydrophobicContact CG1-CE2 4.27Å; Y13-Q15 PolarHBondContact O-N 2.72Å; Y13-F16 HydrophobicContact CD1-CD2 4.46Å; Y13-F16 PolarHBondContact O-N 2.8Å |
| 14 | S | 81.7 | Confident | 74.5 | Confident | 77 Ų | 77 | 138.2 Ų | 138.2 | 54% | 0.538 | 70% | 0.701 | S | S | . | * | G | 310 helix | trans | -58.6 | -37.7 | 174.6 | -168.3 | 0 | 0 | 0 | 0 | 111.7 | D12 F16 Q17 | D12-S14 WeakPolarHBondContact OD1-CB 3.43Å; D12-S14 PolarHBondContact OD1-N 3.44Å; S14-F16 PolarHBondContact O-N 3.19Å; S14-Q17 WeakPolarHBondContact O-CB 3.45Å; S14-Q17 PolarHBondContact O-N 3.36Å |
| 15 | Q | 75.2 | Confident | 73.5 | Confident | 118 Ų | 118 | 137.9 Ų | 137.9 | 55% | 0.551 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -62.8 | -8.2 | 175.7 | 44.9 | 177.5 | 5.4 | 0 | 0 | 115.1 | D12 Y13 | D12-Q15 HydrophobicContact CB-CG 4.47Å; D12-Q15 WeakPolarHBondContact O-CG 3.44Å; D12-Q15 PolarHBondContact O-NE2 2.99Å; Y13-Q15 PolarHBondContact O-N 2.72Å |
| 16 | F | 74.5 | Confident | 72.3 | Confident | 132 Ų | 132 | 142.6 Ų | 142.6 | 58% | 0.579 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -107.3 | -5.7 | 174.1 | -65.2 | -81.5 | 0 | 0 | 0 | 113.5 | Y13 S14 E18 | Y13-F16 HydrophobicContact CD1-CD2 4.46Å; Y13-F16 PolarHBondContact O-N 2.8Å; S14-F16 PolarHBondContact O-N 3.19Å; F16-E18 VanDerWaalsContact C-N 3.29Å; F16-E18 PolarHBondContact O-N 3.24Å |
| 17 | Q | 67.3 | Low | 71.4 | Confident | 153 Ų | 153 | 135.3 Ų | 135.3 | 72% | 0.715 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -77.4 | -14.6 | -179.5 | -64.5 | -79.5 | 78.6 | 0 | 0 | 112.7 | S14 S19 | S14-Q17 WeakPolarHBondContact O-CB 3.45Å; S14-Q17 PolarHBondContact O-N 3.36Å; Q17-S19 PolarHBondContact O-N 3.47Å |
| 18 | E | 63.9 | Low | 70.3 | Confident | 173 Ų | 173 | 137 Ų | 137 | 81% | 0.808 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -74.1 | 1 | 177 | -66.1 | 175.5 | -172.9 | 0 | 0 | 113.6 | F16 | F16-E18 VanDerWaalsContact C-N 3.29Å; F16-E18 PolarHBondContact O-N 3.24Å |
| 19 | S | 62.7 | Low | 69 | Low | 92 Ų | 92 | 131.4 Ų | 131.4 | 64% | 0.643 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -98.6 | 4.8 | -179.3 | -48.6 | 0 | 0 | 0 | 0 | 114.4 | Q17 D21 | Q17-S19 PolarHBondContact O-N 3.47Å; S19-D21 PolarHBondContact O-N 2.81Å |
| 20 | D | 62.5 | Low | 67.3 | Low | 142 Ų | 142 | 128.3 Ų | 128.3 | 76% | 0.759 | 68% | 0.675 | S | S | * | * | | | trans | -87.2 | 15.7 | -179.9 | -154.2 | 36.4 | 0 | 0 | 0 | 113.5 | A22 | D20-A22 PolarHBondContact O-N 3.46Š|
| 21 | D | 57.9 | Low | 66.4 | Low | 122 Ų | 122 | 124.3 Ų | 124.3 | 65% | 0.652 | 66% | 0.662 | S | S | * | * | | | trans | -89.5 | 38.8 | 171 | -137.4 | -3.8 | 0 | 0 | 0 | 111.3 | S19 D23 | S19-D21 PolarHBondContact O-N 2.81Å; D21-D23 VanDerWaalsContact C-N 3.3Å |
| 22 | A | 61.9 | Low | 65.3 | Low | 72 Ų | 72 | 125.4 Ų | 125.4 | 60% | 0.595 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | D20 | D20-A22 PolarHBondContact O-N 3.46Š|
| 23 | D | 63.7 | Low | 64.1 | Low | 140 Ų | 140 | 127.3 Ų | 127.3 | 75% | 0.749 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | -0.1 | -175.8 | -82.3 | -27.7 | 0 | 0 | 0 | 114.5 | D21 D25 | D21-D23 VanDerWaalsContact C-N 3.3Å; D23-D25 PolarHBondContact O-N 2.96Å |
| 24 | E | 59.5 | Low | 63.1 | Low | 159 Ų | 159 | 124.1 Ų | 124.1 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -84.5 | 103.5 | 173.9 | -63.1 | -158.7 | 155.3 | 0 | 0 | 111.6 | | |
| 25 | D | 59.8 | Low | 61.9 | Low | 109 Ų | 109 | 129.6 Ų | 129.6 | 58% | 0.583 | 70% | 0.701 | S | S | * | * | | | trans | 97.2 | 44 | 154.2 | -143 | 10.9 | 0 | 0 | 0 | 118.1 | D23 G27 | D23-D25 PolarHBondContact O-N 2.96Å; D25-G27 PolarHBondContact O-N 3.47Å; D25-G27 PolarHBondContact OD1-N 2.78Å |
| 26 | Y | 57.7 | Low | 61.1 | Low | 225 Ų | 225 | 133.1 Ų | 133.1 | 88% | 0.882 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | 29.3 | 145.6 | -92.8 | -88.4 | 0 | 0 | 0 | 114.7 | | |
| 27 | G | 63.5 | Low | 60.4 | Low | 60 Ų | 60 | 133.8 Ų | 133.8 | 62% | 0.619 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.5 | -16.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | D25 D29 | D25-G27 PolarHBondContact O-N 3.47Å; D25-G27 PolarHBondContact OD1-N 2.78Å; G27-D29 PolarHBondContact O-N 2.92Å |
| 28 | R | 59 | Low | 59.7 | Low | 188 Ų | 188 | 138.4 Ų | 138.4 | 71% | 0.709 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -89.6 | 95.4 | -175.1 | -126.5 | -157 | -167.3 | -72.4 | 1.9 | 113.2 | | |
| 29 | D | 53.8 | Low | 59.6 | Low | 115 Ų | 115 | 134.2 Ų | 134.2 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | | | trans | 62.1 | 68.7 | 148.3 | -67 | -40.7 | 0 | 0 | 0 | 116.8 | G27 G31 | G27-D29 PolarHBondContact O-N 2.92Å; D29-G31 PolarHBondContact O-N 3.31Å |
| 30 | S | 52.8 | Low | 59.3 | Low | 127 Ų | 127 | 134.4 Ų | 134.4 | 89% | 0.888 | 73% | 0.725 | S | S | * | * | | | | 31.9 | 80.8 | 105.6 | -46.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 31 | G | 61.7 | Low | 58.9 | Low | 59 Ų | 59 | 134 Ų | 134 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | | | trans | -177.4 | 104.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 113 | D29 | D29-G31 PolarHBondContact O-N 3.31Š|
| 32 | P | 63.9 | Low | 58.8 | Low | 104 Ų | 104 | 139 Ų | 139 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | | | trans | -63 | 142.3 | 178 | 27 | -31.1 | 0 | 0 | 0 | 109 | T34 | P32-T34 HydrophobicContact CG-CG2 4.04Å; P32-T34 PolarHBondContact O-N 3.32Å |
| 33 | P | 61.4 | Low | 58.5 | Low | 138 Ų | 138 | 144.9 Ų | 144.9 | 90% | 0.896 | 76% | 0.755 | S | S | * | * | | | trans | -65.7 | 90.1 | 172.1 | 26.9 | -32.8 | 0 | 0 | 0 | 108.8 | | |
| 34 | T | 61.2 | Low | 58.3 | Low | 102 Ų | 102 | 142.2 Ų | 142.2 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | | | trans | -80.5 | 139.4 | 175.3 | 59.1 | 0 | 0 | 0 | 0 | 109.8 | P32 | P32-T34 HydrophobicContact CG-CG2 4.04Å; P32-T34 PolarHBondContact O-N 3.32Å |
| 35 | K | 56 | Low | 58.1 | Low | 191 Ų | 191 | 144.5 Ų | 144.5 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | | | trans | 89.7 | 78.6 | 177 | -50.7 | 163 | -172.1 | 173.8 | 0 | 112.1 | | |
| 36 | K | 59.5 | Low | 58 | Low | 192 Ų | 192 | 146.5 Ų | 146.5 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | | | | 38.8 | 114.8 | 75.4 | -76.2 | -172.1 | 177.7 | 177.4 | 0 | 113.6 | | |
| 37 | I | 58.1 | Low | 57.8 | Low | 147 Ų | 147 | 145.7 Ų | 145.7 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | | | trans | 80.6 | 97 | 154.6 | -43.9 | 151.3 | 0 | 0 | 0 | 115.5 | S39 | I37-S39 WeakPolarHBondContact CG2-OG 3.23Š|
| 38 | R | 53.2 | Low | 57.7 | Low | 250 Ų | 250 | 153.1 Ų | 153.1 | 94% | 0.943 | 78% | 0.781 | S | S | * | * | | | trans | -121.6 | 78.4 | 145 | -163.9 | 170.4 | -177 | 162.1 | -0 | 108.9 | | |
| 39 | S | 61.1 | Low | 57.5 | Low | 85 Ų | 85 | 156.5 Ų | 156.5 | 59% | 0.594 | 79% | 0.794 | S | S | * | * | | | trans | -52.3 | 135.5 | 161.5 | 28.5 | 0 | 0 | 0 | 0 | 110.5 | I37 | I37-S39 WeakPolarHBondContact CG2-OG 3.23Š|
| 40 | S | 57.4 | Low | 57.6 | Low | 95 Ų | 95 | 155.7 Ų | 155.7 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | | | trans | 34.5 | 118.3 | 161 | 60.3 | 0 | 0 | 0 | 0 | 119.8 | R42 | S40-R42 PolarHBondContact O-N 3.25Š|
| 41 | P | 54.5 | Low | 57.8 | Low | 135 Ų | 135 | 153.1 Ų | 153.1 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | | | trans | -81.7 | 90.8 | 164.8 | 32.8 | -28.1 | 0 | 0 | 0 | 109.6 | | |
| 42 | R | 54.8 | Low | 57.5 | Low | 226 Ų | 226 | 159.7 Ų | 159.7 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | | | trans | -161.1 | 150.2 | 166.5 | -127 | 168.6 | 169.3 | 143.8 | -4.3 | 108.7 | S40 | S40-R42 PolarHBondContact O-N 3.25Š|
| 43 | E | 56.9 | Low | 56.9 | Low | 195 Ų | 195 | 162.6 Ų | 162.6 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | | | trans | 78.3 | 139.6 | -175.7 | -47.5 | -176.4 | 119.4 | 0 | 0 | 113.8 | | |
| 44 | A | 59.3 | Low | 56.6 | Low | 84 Ų | 84 | 160.5 Ų | 160.5 | 69% | 0.694 | 80% | 0.801 | S | S | * | * | | | cis | -161.8 | 156.8 | -20.9 | 0 | 0 | 0 | 0 | 0 | 104.9 | N46 | A44-N46 PolarHBondContact O-N 3.49Š|
| 45 | K | 54.2 | Low | 56.1 | Low | 207 Ų | 207 | 163.6 Ų | 163.6 | 90% | 0.9 | 81% | 0.808 | S | S | * | * | | | trans | -45.8 | 110.4 | 176.8 | -65.7 | 163.8 | 169.8 | 174.4 | 0 | 113.9 | | |
| 46 | N | 57.8 | Low | 55.8 | Low | 151 Ų | 151 | 161.2 Ų | 161.2 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | | | trans | -115.3 | 87.1 | 160.9 | -70.4 | 18.7 | 0 | 0 | 0 | 110.3 | A44 R48 | A44-N46 PolarHBondContact O-N 3.49Å; N46-R48 PolarHBondContact O-N 3.13Å |
| 47 | K | 54.3 | Low | 55.6 | Low | 209 Ų | 209 | 158.8 Ų | 158.8 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | trans | -70.9 | 107.3 | 157 | -88.5 | 177.8 | 172.1 | 176.5 | 0 | 108 | | |
| 48 | R | 59.8 | Low | 55.4 | Low | 216 Ų | 216 | 156.3 Ų | 156.3 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | | | trans | -147.5 | 94.4 | 157.9 | -64.6 | -172.7 | 72.5 | 166.1 | -1.4 | 110.3 | N46 | N46-R48 PolarHBondContact O-N 3.13Š|
| 49 | R | 55.3 | Low | 55.3 | Low | 258 Ų | 258 | 153.2 Ų | 153.2 | 97% | 0.974 | 79% | 0.788 | S | S | * | * | | | trans | -85.5 | 117.6 | 152.3 | -73.3 | -171 | 173 | -171.5 | -1.3 | 106.6 | | |
| 50 | S | 57.1 | Low | 55 | Low | 99 Ų | 99 | 157 Ų | 157 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | | | trans | -173.2 | 127 | 163.1 | 56.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 51 | G | 56.4 | Low | 54.7 | Low | 73 Ų | 73 | 157.6 Ų | 157.6 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | | | trans | 150.3 | 71.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 52 | K | 56 | Low | 54.6 | Low | 197 Ų | 197 | 159.6 Ų | 159.6 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | | | trans | 51.3 | 96.3 | 135.9 | -68 | 174.2 | 174.7 | 177.9 | 0 | 118.2 | | |
| 53 | N | 51.4 | Low | 54.8 | Low | 165 Ų | 165 | 155.8 Ų | 155.8 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | | | trans | -83.3 | 125.6 | 141.3 | 49.1 | -5.7 | 0 | 0 | 0 | 108.5 | | |
| 54 | S | 54.2 | Low | 54.9 | Low | 93 Ų | 93 | 154.5 Ų | 154.5 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | | | trans | -138.4 | 135.3 | -179.8 | 53 | 0 | 0 | 0 | 0 | 108.9 | | |
| 55 | Q | 50.5 | Low | 55 | Low | 167 Ų | 167 | 156.8 Ų | 156.8 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | | | trans | 70.5 | 129.3 | 147.5 | -117.9 | 176.2 | -93.9 | 0 | 0 | 113.8 | | |
| 56 | E | 51.2 | Low | 55.2 | Low | 141 Ų | 141 | 152.3 Ų | 152.3 | 66% | 0.659 | 78% | 0.782 | S | S | * | * | | | cis | -161.8 | 147.1 | 42.8 | -84.4 | 160.4 | 155.2 | 0 | 0 | 108.5 | | |
| 57 | D | 55 | Low | 55.3 | Low | 142 Ų | 142 | 153.9 Ų | 153.9 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | | | trans | 46 | 135.1 | 136.2 | -50.5 | -34.5 | 0 | 0 | 0 | 119 | | |
| 58 | S | 52.3 | Low | 55.5 | Low | 94 Ų | 94 | 150.4 Ų | 150.4 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | | | cis | -175.4 | 153.6 | 23.4 | 9.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 59 | E | 51.6 | Low | 55.2 | Low | 186 Ų | 186 | 149 Ų | 149 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | | | trans | 63.7 | 110.2 | 146.7 | -61.7 | 169.2 | 164.8 | 0 | 0 | 119 | | |
| 60 | D | 55.1 | Low | 55.3 | Low | 163 Ų | 163 | 146.1 Ų | 146.1 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | | | | 169.3 | 143.6 | 111.9 | -170.7 | 28.4 | 0 | 0 | 0 | 111 | | |
| 61 | S | 51.4 | Low | 55.1 | Low | 108 Ų | 108 | 147.3 Ų | 147.3 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | 88 | 99.8 | 166.8 | -140.4 | 0 | 0 | 0 | 0 | 119 | | |
| 62 | E | 53.1 | Low | 55 | Low | 178 Ų | 178 | 150.3 Ų | 150.3 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | trans | -69.6 | 139.8 | 170.5 | -50.8 | 174.9 | 125.4 | 0 | 0 | 111.5 | | |
| 63 | D | 57.9 | Low | 54.8 | Low | 145 Ų | 145 | 145.3 Ų | 145.3 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | | | trans | 170.8 | 95.4 | 131.5 | -94.7 | -46.4 | 0 | 0 | 0 | 112.1 | | |
| 64 | K | 59.4 | Low | 54.9 | Low | 169 Ų | 169 | 145.7 Ų | 145.7 | 74% | 0.735 | 76% | 0.756 | S | S | * | * | | | | 58.3 | 120.3 | 126.6 | -59.8 | -137.2 | -170.2 | 179 | 0 | 122.2 | | |
| 65 | D | 60.7 | Low | 54.6 | Low | 131 Ų | 131 | 145.9 Ų | 145.9 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | trans | 71.5 | 130.8 | 130.9 | -64.2 | -44.9 | 0 | 0 | 0 | 117 | | |
| 66 | V | 59.6 | Low | 54.5 | Low | 114 Ų | 114 | 142.6 Ų | 142.6 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | | | cis | -171.9 | 134.8 | 22.7 | -107.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 67 | K | 59.8 | Low | 54.4 | Low | 183 Ų | 183 | 144.1 Ų | 144.1 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | | | trans | 48.4 | 123.3 | 136 | -63.5 | 175.8 | 176.1 | 170.3 | 0 | 121.7 | | |
| 68 | T | 57 | Low | 54.2 | Low | 136 Ų | 136 | 145.4 Ų | 145.4 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | | | | 146.3 | 105.2 | 122.1 | 49.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 69 | K | 53.8 | Low | 54 | Low | 187 Ų | 187 | 145 Ų | 145 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | | 54.3 | 96.7 | 67.9 | -76.8 | -94.6 | -177.1 | 174.6 | 0 | 114.6 | | |
| 70 | K | 57.3 | Low | 54 | Low | 197 Ų | 197 | 145.9 Ų | 145.9 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | | | trans | -177.4 | 96 | 140 | -152.3 | 141.1 | 178.5 | 177 | 0 | 108 | | |
| 71 | D | 54.5 | Low | 54 | Low | 125 Ų | 125 | 144.8 Ų | 144.8 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | | | | 41.4 | 111.6 | 85.2 | -62.9 | -53.7 | 0 | 0 | 0 | 112 | | |
| 72 | D | 53.9 | Low | 54.2 | Low | 136 Ų | 136 | 147.2 Ų | 147.2 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | | 164 | 144.9 | 101.3 | -156.3 | 20 | 0 | 0 | 0 | 112.2 | H74 | D72-H74 IonicContact OD2-NE2 3.55Š|
| 73 | S | 50.4 | Low | 54.2 | Low | 91 Ų | 91 | 147.5 Ų | 147.5 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | | | trans | -110.7 | 121.9 | -164.4 | 49.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 74 | H | 54.1 | Low | 53.8 | Low | 173 Ų | 173 | 148.3 Ų | 148.3 | 80% | 0.801 | 77% | 0.765 | S | S | * | * | | | trans | -157.4 | 146.7 | 164.3 | -65.2 | -63.5 | 0 | 0 | 0 | 106.1 | D72 | D72-H74 IonicContact OD2-NE2 3.55Š|
| 75 | S | 47.2 | Very low | 53.5 | Low | 98 Ų | 98 | 146.6 Ų | 146.6 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | | | cis | -171.5 | 134.4 | 11.2 | 154.4 | 0 | 0 | 0 | 0 | 103.3 | | |
| 76 | A | 49.6 | Very low | 53.1 | Low | 97 Ų | 97 | 146.5 Ų | 146.5 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | | | trans | -105.9 | 71.5 | 179 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 77 | E | 47.9 | Very low | 52.7 | Low | 174 Ų | 174 | 147.7 Ų | 147.7 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | | | trans | -153.9 | 68.3 | -178.5 | -66.2 | -73.8 | 132.3 | 0 | 0 | 108.7 | | |
| 78 | D | 52.2 | Low | 52.7 | Low | 169 Ų | 169 | 144 Ų | 144 | 90% | 0.904 | 74% | 0.743 | S | S | * | * | | | trans | -163.7 | 148.2 | 162.3 | -150.8 | -0.2 | 0 | 0 | 0 | 112.4 | | |
| 79 | S | 47.5 | Very low | 52.7 | Low | 85 Ų | 85 | 143 Ų | 143 | 59% | 0.594 | 74% | 0.737 | S | S | * | * | | | trans | 85.5 | 76.9 | 169.7 | -156.9 | 0 | 0 | 0 | 0 | 118 | D81 | S79-D81 PolarHBondContact O-N 3.33Š|
| 80 | E | 51.4 | Low | 53 | Low | 205 Ų | 205 | 145.4 Ų | 145.4 | 96% | 0.958 | 74% | 0.741 | S | S | * | * | | | trans | -82.6 | 33.1 | 152.2 | -63.3 | -166.4 | 125.9 | 0 | 0 | 112.1 | | |
| 81 | D | 55.3 | Low | 53.3 | Low | 139 Ų | 139 | 143.7 Ų | 143.7 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | | | trans | -137 | 62.1 | -168.8 | -164.6 | 37.2 | 0 | 0 | 0 | 113.7 | S79 | S79-D81 PolarHBondContact O-N 3.33Š|
| 82 | E | 55.7 | Low | 53.6 | Low | 159 Ų | 159 | 145 Ų | 145 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | | | trans | -146.4 | 64.4 | 162.1 | -147 | 171.2 | -160.8 | 0 | 0 | 111.4 | E84 | E82-E84 PolarHBondContact O-N 3.25Š|
| 83 | K | 52.7 | Low | 53.7 | Low | 184 Ų | 184 | 148.2 Ų | 148.2 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | | | trans | -83.4 | 78.7 | 166.4 | -66.3 | 179.2 | -176.3 | 162.5 | 0 | 109.5 | | |
| 84 | E | 49.2 | Very low | 54.3 | Low | 163 Ų | 163 | 150.9 Ų | 150.9 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | | | trans | -167.2 | -20.2 | 156.2 | -146.1 | 77.6 | -132 | 0 | 0 | 114.9 | E82 H86 | E82-E84 PolarHBondContact O-N 3.25Å; E84-H86 VanDerWaalsContact C-N 3.33Å; E84-H86 PolarHBondContact O-N 3.39Å |
| 85 | D | 53 | Low | 54.4 | Low | 132 Ų | 132 | 146.8 Ų | 146.8 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | | | trans | -90.9 | 65 | -174 | -75.8 | -31.5 | 0 | 0 | 0 | 115 | | |
| 86 | H | 53.8 | Low | 55 | Low | 130 Ų | 130 | 145.6 Ų | 145.6 | 60% | 0.602 | 74% | 0.735 | S | S | * | * | | | trans | -62.2 | 141.3 | 164.2 | -70.5 | -114 | 0 | 0 | 0 | 112.5 | E84 | E84-H86 VanDerWaalsContact C-N 3.33Å; E84-H86 PolarHBondContact O-N 3.39Å |
| 87 | K | 50.9 | Low | 55.6 | Low | 138 Ų | 138 | 144.7 Ų | 144.7 | 60% | 0.6 | 72% | 0.723 | S | S | * | * | S | Bend | cis | 174.4 | 26.1 | -19.8 | -110.7 | 155.7 | -123.2 | -176.4 | 0 | 111.2 | | |
| 88 | N | 58.8 | Low | 56.6 | Low | 105 Ų | 105 | 144 Ų | 144 | 56% | 0.561 | 72% | 0.717 | S | S | * | * | | | trans | 178 | 11.3 | -170.7 | 37.4 | 19.8 | 0 | 0 | 0 | 116.6 | R90 | N88-R90 PolarHBondContact O-N 3.22Š|
| 89 | V | 58.6 | Low | 57.5 | Low | 117 Ų | 117 | 139 Ų | 139 | 71% | 0.709 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -22.3 | -152.5 | -176.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 90 | R | 59.5 | Low | 58.8 | Low | 236 Ų | 236 | 137.9 Ų | 137.9 | 89% | 0.891 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -27.8 | -169.1 | -163.8 | 170.4 | -164.7 | -149.7 | 2.4 | 116.8 | N88 | N88-R90 PolarHBondContact O-N 3.22Š|
| 91 | Q | 62.9 | Low | 59.7 | Low | 161 Ų | 161 | 131.6 Ų | 131.6 | 75% | 0.752 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.9 | -10.9 | -164.1 | -68.2 | 179.2 | -4.4 | 0 | 0 | 114.7 | | |
| 92 | Q | 60.9 | Low | 60.9 | Low | 154 Ų | 154 | 131.5 Ų | 131.5 | 72% | 0.72 | 67% | 0.667 | S | S | * | * | | | trans | -98.2 | 3 | -163.7 | -146.9 | 171.3 | -6.1 | 0 | 0 | 115.1 | Q94 | Q92-Q94 VanDerWaalsContact C-N 3.3Å; Q92-Q94 PolarHBondContact O-N 3.43Å |
| 93 | R | 56.7 | Low | 62.1 | Low | 203 Ų | 203 | 130.7 Ų | 130.7 | 77% | 0.766 | 66% | 0.663 | S | S | * | * | | | trans | -89.3 | 39.2 | 173.7 | -64.8 | -177.1 | -169.1 | -108.8 | 0.7 | 113.1 | S97 | R93-S97 VanDerWaalsContact O-CB 3.23Å; R93-S97 WeakPolarHBondContact O-CB 3.39Å |
| 94 | Q | 62.8 | Low | 63.4 | Low | 146 Ų | 146 | 131 Ų | 131 | 68% | 0.682 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -26.7 | -178.2 | -69.4 | -74.3 | -31 | 0 | 0 | 113.3 | Q92 | Q92-Q94 VanDerWaalsContact C-N 3.3Å; Q92-Q94 PolarHBondContact O-N 3.43Å |
| 95 | A | 56.8 | Low | 64.6 | Low | 87 Ų | 87 | 128.1 Ų | 128.1 | 72% | 0.719 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -45.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S97 K98 | A95-S97 VanDerWaalsContact C-N 3.25Å; A95-S97 PolarHBondContact O-N 3.42Å; A95-K98 PolarHBondContact O-N 3.25Å |
| 96 | A | 59.4 | Low | 65.4 | Low | 74 Ų | 74 | 127.8 Ų | 127.8 | 61% | 0.612 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.9 | -25.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K98 A100 | A96-K98 VanDerWaalsContact C-N 3.28Å; A96-K98 PolarHBondContact O-N 3.43Å; A96-A100 PolarHBondContact O-N 3.43Å |
| 97 | S | 62 | Low | 66.1 | Low | 78 Ų | 78 | 127.5 Ų | 127.5 | 55% | 0.545 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -70.5 | -20.4 | 176.8 | -167.4 | 0 | 0 | 0 | 0 | 113.4 | R93 A95 S101 | R93-S97 VanDerWaalsContact O-CB 3.23Å; R93-S97 WeakPolarHBondContact O-CB 3.39Å; A95-S97 VanDerWaalsContact C-N 3.25Å; A95-S97 PolarHBondContact O-N 3.42Å; S97-S101 WeakPolarHBondContact O-CB 2.92Å; S97-S101 PolarHBondContact O-N 2.92Å |
| 98 | K | 69.2 | Low | 66.8 | Low | 160 Ų | 160 | 126.9 Ų | 126.9 | 70% | 0.696 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -83.5 | -34.8 | 178.4 | -74.9 | -175.7 | 171.6 | 176.2 | 0 | 113 | A95 A96 K102 | A95-K98 PolarHBondContact O-N 3.25Å; A96-K98 VanDerWaalsContact C-N 3.28Å; A96-K98 PolarHBondContact O-N 3.43Å; K98-K102 PolarHBondContact O-N 3.24Å |
| 99 | A | 71.6 | Confident | 67 | Low | 64 Ų | 64 | 128.1 Ų | 128.1 | 53% | 0.529 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -73.4 | -41.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S101 K102 Q103 | A99-S101 VanDerWaalsContact C-N 3.28Å; A99-S101 PolarHBondContact O-N 3.29Å; A99-K102 PolarHBondContact O-N 3.28Å; A99-Q103 PolarHBondContact O-N 3.18Å |
| 100 | A | 73.8 | Confident | 67.2 | Low | 61 Ų | 61 | 129.5 Ų | 129.5 | 50% | 0.504 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -66.9 | -29.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A96 R104 | A96-A100 PolarHBondContact O-N 3.43Å; A100-R104 PolarHBondContact O-N 3.46Å |
| 101 | S | 71.3 | Confident | 67.4 | Low | 72 Ų | 72 | 123.6 Ų | 123.6 | 50% | 0.503 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -68.9 | -40.5 | 173.6 | -160.6 | 0 | 0 | 0 | 0 | 111.8 | S97 A99 Q103 R104 E105 | S97-S101 WeakPolarHBondContact O-CB 2.92Å; S97-S101 PolarHBondContact O-N 2.92Å; A99-S101 VanDerWaalsContact C-N 3.28Å; A99-S101 PolarHBondContact O-N 3.29Å; S101-Q103 PolarHBondContact O-N 3.49Å; S101-R104 WeakPolarHBondContact O-CB 3.47Å; S101-R104 PolarHBondContact O-N 3.15Å; S101-R104 VanDerWaalsContact O-N 3.15Å; S101-E105 WeakPolarHBondContact O-CB 3.45Å; S101-E105 PolarHBondContact O-N 3.01Å |
| 102 | K | 79.8 | Confident | 67.1 | Low | 138 Ų | 138 | 119.3 Ų | 119.3 | 60% | 0.6 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.7 | -32.8 | 180 | -170 | 156.5 | -176.3 | 152.2 | 0 | 113.4 | K98 A99 R104 M106 | K98-K102 PolarHBondContact O-N 3.24Å; A99-K102 PolarHBondContact O-N 3.28Å; K102-R104 VanDerWaalsContact C-N 3.34Å; K102-M106 WeakPolarHBondContact O-CG 3.5Å; K102-M106 PolarHBondContact O-N 3.06Å |
| 103 | Q | 80.6 | Confident | 66.7 | Low | 142 Ų | 142 | 117.3 Ų | 117.3 | 66% | 0.664 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.4 | -30.4 | 171.4 | -67.1 | -170.1 | -74.7 | 0 | 0 | 112.5 | A99 S101 L107 | A99-Q103 PolarHBondContact O-N 3.18Å; S101-Q103 PolarHBondContact O-N 3.49Å; Q103-L107 WeakPolarHBondContact O-CB 3.14Å; Q103-L107 PolarHBondContact O-N 3.33Å |
| 104 | R | 80.9 | Confident | 66.3 | Low | 189 Ų | 189 | 115.3 Ų | 115.3 | 71% | 0.713 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -75.2 | -36 | 177.5 | -151.8 | -179.1 | -157.4 | -144.3 | 2.3 | 111.9 | A100 S101 K102 M108 | A100-R104 PolarHBondContact O-N 3.46Å; S101-R104 WeakPolarHBondContact O-CB 3.47Å; S101-R104 PolarHBondContact O-N 3.15Å; S101-R104 VanDerWaalsContact O-N 3.15Å; K102-R104 VanDerWaalsContact C-N 3.34Å; R104-M108 WeakPolarHBondContact O-CG 3.15Å; R104-M108 PolarHBondContact O-N 2.83Å |
| 105 | E | 72.9 | Confident | 65.5 | Low | 104 Ų | 104 | 115.3 Ų | 115.3 | 49% | 0.486 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -57.8 | -63.3 | 169.8 | -168.3 | 177.6 | 174.8 | 0 | 0 | 109.3 | S101 L107 M108 E109 | S101-E105 WeakPolarHBondContact O-CB 3.45Å; S101-E105 PolarHBondContact O-N 3.01Å; E105-L107 PolarHBondContact O-N 3.5Å; E105-M108 PolarHBondContact O-N 3.22Å; E105-E109 WeakPolarHBondContact CA-OE2 3.49Å; E105-E109 WeakPolarHBondContact CG-OE2 3.47Å; E105-E109 PolarHBondContact O-N 3.02Å |
| 106 | M | 71 | Confident | 64.9 | Low | 125 Ų | 125 | 118.7 Ų | 118.7 | 62% | 0.616 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -56.8 | -23.4 | -179.7 | -63.1 | -171.6 | -43.4 | 0 | 0 | 115.8 | K102 | K102-M106 WeakPolarHBondContact O-CG 3.5Å; K102-M106 PolarHBondContact O-N 3.06Å |
| 107 | L | 66.8 | Low | 64.1 | Low | 123 Ų | 123 | 124.6 Ų | 124.6 | 64% | 0.644 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -84.2 | -22 | 175.5 | -176.2 | 62.5 | 0 | 0 | 0 | 113.4 | Q103 E105 | Q103-L107 WeakPolarHBondContact O-CB 3.14Å; Q103-L107 PolarHBondContact O-N 3.33Å; E105-L107 PolarHBondContact O-N 3.5Å |
| 108 | M | 66.8 | Low | 63.5 | Low | 125 Ų | 125 | 128.4 Ų | 128.4 | 62% | 0.616 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -101.1 | -27.3 | 178.6 | -59.6 | -109.5 | 93.1 | 0 | 0 | 111.9 | R104 E105 D110 V111 | R104-M108 WeakPolarHBondContact O-CG 3.15Å; R104-M108 PolarHBondContact O-N 2.83Å; E105-M108 PolarHBondContact O-N 3.22Å; M108-D110 PolarHBondContact O-N 2.89Å; M108-V111 PolarHBondContact O-N 3.34Å |
| 109 | E | 63.2 | Low | 62.4 | Low | 132 Ų | 132 | 129.2 Ų | 129.2 | 62% | 0.617 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -20.7 | 175 | -106 | 74.6 | -158.6 | 0 | 0 | 113.4 | E105 | E105-E109 WeakPolarHBondContact CA-OE2 3.49Å; E105-E109 WeakPolarHBondContact CG-OE2 3.47Å; E105-E109 PolarHBondContact O-N 3.02Å |
| 110 | D | 62.1 | Low | 61.4 | Low | 146 Ų | 146 | 135 Ų | 135 | 78% | 0.781 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -6.1 | 177.7 | -128.3 | 5 | 0 | 0 | 0 | 113 | M108 | M108-D110 PolarHBondContact O-N 2.89Š|
| 111 | V | 63.2 | Low | 60.1 | Low | 111 Ų | 111 | 139 Ų | 139 | 67% | 0.673 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -112.6 | 38.6 | -177.9 | -173 | 0 | 0 | 0 | 0 | 109.9 | M108 | M108-V111 PolarHBondContact O-N 3.34Š|
| 112 | G | 56.8 | Low | 58.9 | Low | 72 Ų | 72 | 144.2 Ų | 144.2 | 74% | 0.742 | 72% | 0.718 | S | S | * | * | | | trans | -132.4 | 16.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 113 | S | 51.9 | Low | 57.2 | Low | 111 Ų | 111 | 141.6 Ų | 141.6 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | | | trans | -121.6 | 75 | 172.8 | 171.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 114 | E | 49.1 | Very low | 55.7 | Low | 162 Ų | 162 | 140.2 Ų | 140.2 | 76% | 0.757 | 73% | 0.726 | S | S | * | * | | | trans | -96 | 119.2 | 159.5 | -76.6 | -163.2 | 176.2 | 0 | 0 | 106.4 | | |
| 115 | E | 45.3 | Very low | 53.8 | Low | 146 Ų | 146 | 138.9 Ų | 138.9 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | | | | 55.6 | 131.7 | 69.4 | 118.5 | -179.2 | 177.5 | 0 | 0 | 109.6 | | |
| 116 | E | 44.3 | Very low | 52.5 | Low | 158 Ų | 158 | 142.9 Ų | 142.9 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | | | cis | -162.9 | 142.2 | 5.7 | -95.9 | 174.3 | 158.9 | 0 | 0 | 103.1 | | |
| 117 | Q | 43.1 | Very low | 51.8 | Low | 197 Ų | 197 | 142 Ų | 142 | 92% | 0.921 | 74% | 0.738 | S | S | * | * | | | trans | -146.6 | 115.5 | 146 | -155.5 | 165.3 | -7.6 | 0 | 0 | 109.7 | | |
| 118 | E | 49.4 | Very low | 51 | Low | 159 Ų | 159 | 144.8 Ų | 144.8 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | | | trans | -57.4 | 150.8 | 178.8 | -68.1 | 162.3 | 133.4 | 0 | 0 | 113.1 | | |
| 119 | E | 45.9 | Very low | 50.4 | Low | 176 Ų | 176 | 144.5 Ų | 144.5 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | | | trans | 57.6 | 104.7 | 133 | -162.9 | 172.3 | -138.4 | 0 | 0 | 118.2 | | |
| 120 | E | 49.9 | Very low | 50 | Low | 185 Ų | 185 | 143.2 Ų | 143.2 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | | | | -174.8 | 142.1 | 125.5 | -108.4 | 171.9 | 169.7 | 0 | 0 | 111.9 | | |
| 121 | D | 47 | Very low | 49.6 | Very low | 146 Ų | 146 | 140 Ų | 140 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | | | trans | -33.3 | 138.2 | 165.2 | -62.4 | -81.8 | 0 | 0 | 0 | 114.8 | | |
| 122 | E | 45.8 | Very low | 49.1 | Very low | 182 Ų | 182 | 139.4 Ų | 139.4 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | | | trans | 179.4 | 119 | 133.3 | -139.6 | 49.7 | -119 | 0 | 0 | 109 | | |
| 123 | A | 45.7 | Very low | 48.8 | Very low | 82 Ų | 82 | 141.7 Ų | 141.7 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | trans | -64.8 | 176.6 | 154 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 124 | P | 47.5 | Very low | 49.1 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | | | cis | -133.9 | 160.9 | 0.9 | 40 | -23.2 | 0 | 0 | 0 | 112.9 | | |
| 125 | F | 42.7 | Very low | 49.9 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 70% | 0.702 | 74% | 0.741 | S | S | * | * | | | trans | -153.8 | 90 | 145.2 | -143.3 | -129.4 | 0 | 0 | 0 | 113.2 | E127 | F125-E127 HydrophobicContact CD1-CB 3.51Å; F125-E127 HydrophobicContact CD2-CB 4.32Å; F125-E127 HydrophobicContact CE1-CB 3.15Å; F125-E127 VanDerWaalsContact CE1-CD 3.41Å; F125-E127 HydrophobicContact CE1-CG 3.86Å; F125-E127 WeakPolarHBondContact CE1-OE2 3.05Å; F125-E127 HydrophobicContact CE2-CB 3.98Å; F125-E127 HydrophobicContact CE2-CG 4.49Å; F125-E127 HydrophobicContact CG-CB 4.12Å; F125-E127 HydrophobicContact CZ-CB 3.44Å; F125-E127 VanDerWaalsContact CZ-CB 3.44Å; F125-E127 HydrophobicContact CZ-CG 3.8Å; F125-E127 VanDerWaalsContact CZ-OE1 3.27Å; F125-E127 WeakPolarHBondContact CZ-OE1 3.14Å; F125-E127 WeakPolarHBondContact CZ-OE2 3.34Å |
| 126 | Q | 44.5 | Very low | 50.5 | Low | 188 Ų | 188 | 143.5 Ų | 143.5 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | | | trans | -83.1 | 103.9 | 147.7 | -70.4 | -162.8 | -25.9 | 0 | 0 | 107.5 | | |
| 127 | E | 57 | Low | 51.3 | Low | 107 Ų | 107 | 143 Ų | 143 | 50% | 0.5 | 75% | 0.748 | S | S | . | * | | | trans | -146.5 | 100.7 | 162.5 | -159.2 | 177.9 | -111.5 | 0 | 0 | 103.4 | F125 D129 | F125-E127 HydrophobicContact CD1-CB 3.51Å; F125-E127 HydrophobicContact CD2-CB 4.32Å; F125-E127 HydrophobicContact CE1-CB 3.15Å; F125-E127 VanDerWaalsContact CE1-CD 3.41Å; F125-E127 HydrophobicContact CE1-CG 3.86Å; F125-E127 WeakPolarHBondContact CE1-OE2 3.05Å; F125-E127 HydrophobicContact CE2-CB 3.98Å; F125-E127 HydrophobicContact CE2-CG 4.49Å; F125-E127 HydrophobicContact CG-CB 4.12Å; F125-E127 HydrophobicContact CZ-CB 3.44Å; F125-E127 VanDerWaalsContact CZ-CB 3.44Å; F125-E127 HydrophobicContact CZ-CG 3.8Å; F125-E127 VanDerWaalsContact CZ-OE1 3.27Å; F125-E127 WeakPolarHBondContact CZ-OE1 3.14Å; F125-E127 WeakPolarHBondContact CZ-OE2 3.34Å; E127-D129 VanDerWaalsContact C-N 3.26Å; E127-D129 HydrophobicContact CG-CB 4.33Å; E127-D129 VanDerWaalsContact CG-OD1 3.3Å; E127-D129 WeakPolarHBondContact CG-OD1 3.33Å; E127-D129 WeakPolarHBondContact CG-OD2 3.39Å |
| 128 | K | 49.9 | Very low | 52.2 | Low | 181 Ų | 181 | 140.3 Ų | 140.3 | 79% | 0.787 | 74% | 0.737 | S | S | * | * | | | cis | 57.9 | 26.2 | 35.1 | -69.2 | -76.5 | -175.6 | 178.5 | 0 | 114.3 | S130 | K128-S130 WeakPolarHBondContact O-CB 3.3Å; K128-S130 PolarHBondContact O-OG 3.17Å |
| 129 | D | 53.1 | Low | 52.4 | Low | 120 Ų | 120 | 140.1 Ų | 140.1 | 64% | 0.642 | 74% | 0.736 | S | S | * | * | | | trans | -93.7 | 92.7 | 154.3 | -69.9 | -19.3 | 0 | 0 | 0 | 107.7 | E127 | E127-D129 VanDerWaalsContact C-N 3.26Å; E127-D129 HydrophobicContact CG-CB 4.33Å; E127-D129 VanDerWaalsContact CG-OD1 3.3Å; E127-D129 WeakPolarHBondContact CG-OD1 3.33Å; E127-D129 WeakPolarHBondContact CG-OD2 3.39Å |
| 130 | S | 56.1 | Low | 52.9 | Low | 105 Ų | 105 | 139.2 Ų | 139.2 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | | | | 53.4 | 78.4 | 57 | -55.2 | 0 | 0 | 0 | 0 | 112.4 | K128 | K128-S130 WeakPolarHBondContact O-CB 3.3Å; K128-S130 PolarHBondContact O-OG 3.17Å |
| 131 | G | 52.6 | Low | 53.4 | Low | 79 Ų | 79 | 136.7 Ų | 136.7 | 81% | 0.814 | 73% | 0.73 | S | S | * | * | | | trans | 74.7 | 93.7 | 138.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 132 | S | 52.7 | Low | 54.3 | Low | 97 Ų | 97 | 137.9 Ų | 137.9 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | | | trans | -123.3 | 94.6 | 141.1 | -157.3 | 0 | 0 | 0 | 0 | 107.9 | E134 | S132-E134 PolarHBondContact OG-OE1 2.83Š|
| 133 | D | 50.8 | Low | 55.2 | Low | 120 Ų | 120 | 135.2 Ų | 135.2 | 64% | 0.642 | 73% | 0.727 | S | S | * | * | | | trans | -81.5 | 99.5 | 167.2 | 172.9 | 23.9 | 0 | 0 | 0 | 106.6 | D135 | D133-D135 WeakPolarHBondContact OD1-CB 3.27Å; D133-D135 VanDerWaalsContact OD1-CG 3.24Å; D133-D135 PolarHBondContact OD1-N 2.86Å |
| 134 | E | 59 | Low | 55.9 | Low | 162 Ų | 162 | 136 Ų | 136 | 76% | 0.757 | 73% | 0.728 | S | S | * | * | | | trans | -107.6 | 47.3 | 169.4 | -70.9 | 149.9 | -156.4 | 0 | 0 | 108.5 | S132 | S132-E134 PolarHBondContact OG-OE1 2.83Š|
| 135 | D | 65.3 | Low | 56.6 | Low | 113 Ų | 113 | 138.2 Ų | 138.2 | 60% | 0.604 | 73% | 0.734 | S | S | * | * | | | trans | -49.4 | 151.3 | 134.7 | -73.7 | -21.9 | 0 | 0 | 0 | 108.1 | D133 | D133-D135 WeakPolarHBondContact OD1-CB 3.27Å; D133-D135 VanDerWaalsContact OD1-CG 3.24Å; D133-D135 PolarHBondContact OD1-N 2.86Å |
| 136 | F | 58.4 | Low | 57.5 | Low | 183 Ų | 183 | 140.6 Ų | 140.6 | 80% | 0.803 | 74% | 0.739 | S | S | * | * | | | trans | 76.3 | 90.1 | -173.4 | -45.9 | -85.7 | 0 | 0 | 0 | 112.5 | | |
| 137 | L | 61.5 | Low | 58.3 | Low | 148 Ų | 148 | 134.2 Ų | 134.2 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | | | | -171.4 | 115.9 | 72.5 | -77.5 | 169.3 | 0 | 0 | 0 | 107.8 | | |
| 138 | M | 62 | Low | 58.5 | Low | 139 Ų | 139 | 134.1 Ų | 134.1 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | | | | 69.5 | 93.4 | 83 | -169.2 | 167.1 | 172.5 | 0 | 0 | 109.2 | | |
| 139 | E | 53.7 | Low | 58.9 | Low | 155 Ų | 155 | 129.9 Ų | 129.9 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | | | | 81.5 | 145.4 | 99.7 | -71.7 | 157.1 | -160.2 | 0 | 0 | 112 | | |
| 140 | D | 55.2 | Low | 59 | Low | 157 Ų | 157 | 134.4 Ų | 134.4 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | | | trans | 67.3 | 116.8 | -175.8 | -69.2 | -16.6 | 0 | 0 | 0 | 113.3 | | |
| 141 | D | 60.2 | Low | 59.5 | Low | 133 Ų | 133 | 137.5 Ų | 137.5 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | | | | -167.7 | 84.8 | 60.5 | -161.8 | 16.6 | 0 | 0 | 0 | 108.2 | D143 | D141-D143 PolarHBondContact O-N 2.76Å; D141-D143 VanDerWaalsContact O-N 3.13Å; D141-D143 WeakPolarHBondContact OD1-CB 2.8Å |
| 142 | D | 66.5 | Low | 60 | Low | 170 Ų | 170 | 143.1 Ų | 143.1 | 91% | 0.909 | 75% | 0.745 | S | S | * | * | | | trans | -73 | 82.5 | 160.2 | 177 | 25.4 | 0 | 0 | 0 | 107.5 | | |
| 143 | D | 64.2 | Low | 60.3 | Low | 126 Ų | 126 | 146.6 Ų | 146.6 | 67% | 0.674 | 76% | 0.756 | S | S | * | * | | | trans | -145.6 | 129.7 | 176.6 | -127.3 | -14.7 | 0 | 0 | 0 | 115.5 | D141 | D141-D143 PolarHBondContact O-N 2.76Å; D141-D143 VanDerWaalsContact O-N 3.13Å; D141-D143 WeakPolarHBondContact OD1-CB 2.8Å |
| 144 | S | 60.6 | Low | 61.1 | Low | 98 Ų | 98 | 150.6 Ų | 150.6 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | | | trans | 86.4 | 84.4 | 153.2 | 77.9 | 0 | 0 | 0 | 0 | 120.3 | Y146 | S144-Y146 PolarHBondContact O-N 3.5Š|
| 145 | D | 62.3 | Low | 61.2 | Low | 162 Ų | 162 | 152.4 Ų | 152.4 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | | | trans | -15.9 | 86.4 | 134 | -171.5 | 11.8 | 0 | 0 | 0 | 116.1 | G147 | D145-G147 PolarHBondContact O-N 3.27Å; D145-G147 PolarHBondContact OD1-N 3.34Å |
| 146 | Y | 61.6 | Low | 61 | Low | 209 Ų | 209 | 155.3 Ų | 155.3 | 82% | 0.82 | 79% | 0.785 | S | S | * | * | | | trans | -96.7 | 60.5 | 167.1 | -160.2 | -98.9 | 0 | 0 | 0 | 112 | S144 S148 | S144-Y146 PolarHBondContact O-N 3.5Å; Y146-S148 PolarHBondContact O-N 3.23Å |
| 147 | G | 62.8 | Low | 61 | Low | 55 Ų | 55 | 152.3 Ų | 152.3 | 57% | 0.567 | 78% | 0.782 | S | S | * | * | | | | 50.2 | 16.5 | 100.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | D145 S149 | D145-G147 PolarHBondContact O-N 3.27Å; D145-G147 PolarHBondContact OD1-N 3.34Å; G147-S149 PolarHBondContact O-N 2.73Å |
| 148 | S | 59.3 | Low | 60.8 | Low | 105 Ų | 105 | 154.3 Ų | 154.3 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | -78.1 | 67 | 172.6 | 63.9 | 0 | 0 | 0 | 0 | 112.6 | Y146 | Y146-S148 PolarHBondContact O-N 3.23Š|
| 149 | S | 58.4 | Low | 60.5 | Low | 91 Ų | 91 | 157.2 Ų | 157.2 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | | | trans | -2.3 | 114.4 | 158.2 | 59.9 | 0 | 0 | 0 | 0 | 118.2 | G147 K151 | G147-S149 PolarHBondContact O-N 2.73Å; S149-K151 PolarHBondContact O-N 3.09Å |
| 150 | K | 55.7 | Low | 60.5 | Low | 216 Ų | 216 | 155.2 Ų | 155.2 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | | | trans | -60.3 | 86.6 | 150 | -71.7 | -175.8 | 176.4 | 170.4 | 0 | 111 | | |
| 151 | K | 66 | Low | 60.4 | Low | 170 Ų | 170 | 157.4 Ų | 157.4 | 74% | 0.739 | 80% | 0.798 | S | S | * | * | | | trans | -146 | 112.9 | 170 | -73.7 | -173.9 | 178.1 | 155.3 | 0 | 115.4 | S149 | S149-K151 PolarHBondContact O-N 3.09Š|
| 152 | K | 63.4 | Low | 60.5 | Low | 196 Ų | 196 | 157.1 Ų | 157.1 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | | | trans | 74.6 | 112.6 | 136 | -61.9 | -178 | -179.6 | 179.5 | 0 | 120.7 | | |
| 153 | N | 60.3 | Low | 59.8 | Low | 170 Ų | 170 | 158.2 Ų | 158.2 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | | | trans | -46.6 | 127.7 | 156.1 | -57.8 | -48.6 | 0 | 0 | 0 | 113 | | |
| 154 | K | 66.9 | Low | 59.3 | Low | 204 Ų | 204 | 163.1 Ų | 163.1 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | | | trans | -153.2 | 117.4 | 153.6 | -160.2 | 144.8 | 178.3 | 171.1 | 0 | 111.6 | | |
| 155 | K | 60.2 | Low | 59.2 | Low | 200 Ų | 200 | 168 Ų | 168 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | | | trans | -30.5 | 133.9 | 166.9 | -81.6 | 170.2 | 167.1 | 169.7 | 0 | 113.1 | | |
| 156 | M | 61.4 | Low | 59.2 | Low | 175 Ų | 175 | 168.9 Ų | 168.9 | 86% | 0.862 | 82% | 0.82 | S | S | * | * | | | trans | -159.7 | 112.2 | 131 | -78.1 | -137.6 | -66.5 | 0 | 0 | 108.6 | | |
| 157 | V | 58.8 | Low | 59.3 | Low | 120 Ų | 120 | 168 Ų | 168 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | | | | 86 | 107.9 | 96.9 | 173.3 | 0 | 0 | 0 | 0 | 113 | | |
| 158 | K | 57.6 | Low | 59.3 | Low | 189 Ų | 189 | 174.9 Ų | 174.9 | 82% | 0.822 | 83% | 0.834 | S | S | * | * | | | trans | 53.2 | 121.2 | 142.2 | -64.2 | 175 | 178.2 | 172.2 | 0 | 120.4 | | |
| 159 | K | 55.6 | Low | 59.6 | Low | 200 Ų | 200 | 178.8 Ų | 178.8 | 87% | 0.87 | 84% | 0.844 | S | S | * | * | | | | 32.5 | 124.1 | 127.7 | -52.5 | -81.5 | -176.2 | 162.5 | 0 | 115.5 | | |
| 160 | S | 53.8 | Low | 59.5 | Low | 114 Ų | 114 | 180.3 Ų | 180.3 | 80% | 0.797 | 85% | 0.851 | S | S | * | * | | | | 179.6 | 154 | 65.2 | 43.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 161 | K | 53.7 | Low | 60.3 | Low | 203 Ų | 203 | 179.5 Ų | 179.5 | 88% | 0.883 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 148.1 | 176.9 | -68.7 | 173.9 | 175.3 | 170 | 0 | 112.6 | | |
| 162 | P | 61.8 | Low | 60.5 | Low | 127 Ų | 127 | 177.3 Ų | 177.3 | 83% | 0.825 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 143.8 | 151.9 | 32.9 | -27.2 | 0 | 0 | 0 | 112.2 | | |
| 163 | E | 50.6 | Low | 60.6 | Low | 192 Ų | 192 | 178.1 Ų | 178.1 | 90% | 0.897 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 157.7 | -171.4 | -158.3 | 177.2 | 150.4 | 0 | 0 | 113.1 | | |
| 164 | R | 55.3 | Low | 60.8 | Low | 230 Ų | 230 | 178.5 Ų | 178.5 | 87% | 0.868 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 141.3 | -175.8 | -74 | 173.3 | 161.1 | 137.3 | -6.3 | 113.2 | | |
| 165 | K | 58.6 | Low | 60.8 | Low | 201 Ų | 201 | 177.6 Ų | 177.6 | 87% | 0.874 | 85% | 0.846 | S | S | * | * | | | trans | -110 | 102.7 | 157.1 | -68.5 | -102.9 | 177 | 174 | 0 | 108.3 | | |
| 166 | E | 61.8 | Low | 60.7 | Low | 180 Ų | 180 | 172.3 Ų | 172.3 | 84% | 0.841 | 84% | 0.839 | S | S | * | * | | | trans | -77.1 | 130.2 | 164 | -75.7 | -176.6 | 149.6 | 0 | 0 | 109.7 | | |
| 167 | K | 64.1 | Low | 60.4 | Low | 191 Ų | 191 | 170.3 Ų | 170.3 | 83% | 0.83 | 84% | 0.837 | S | S | * | * | | | trans | -129.2 | 100 | 160.6 | -73.4 | -170.6 | -179.9 | 177.7 | 0 | 109.7 | | |
| 168 | K | 62.4 | Low | 60.7 | Low | 198 Ų | 198 | 170.3 Ų | 170.3 | 86% | 0.861 | 84% | 0.837 | S | S | * | * | | | trans | 37 | 113.8 | 138.5 | -52.2 | -148.5 | 177.8 | -172.7 | 0 | 118.3 | | |
| 169 | M | 64.5 | Low | 60.8 | Low | 188 Ų | 188 | 167.3 Ų | 167.3 | 93% | 0.926 | 84% | 0.835 | S | S | * | * | | | trans | -125.4 | 129.6 | 143.4 | -72.2 | -147.8 | 156.2 | 0 | 0 | 111.7 | | |
| 170 | P | 57.3 | Low | 61.5 | Low | 122 Ų | 122 | 163.5 Ų | 163.5 | 79% | 0.792 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 139.5 | -178.1 | -0.1 | 19.3 | 0 | 0 | 0 | 111.7 | P172 | P170-P172 WeakPolarHBondContact O-CD 2.88Š|
| 171 | K | 72.1 | Confident | 62 | Low | 199 Ų | 199 | 163.7 Ų | 163.7 | 87% | 0.865 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 126.3 | 177.3 | -59.9 | 165.2 | -178 | 165.5 | 0 | 111.4 | | |
| 172 | P | 69.8 | Low | 62.4 | Low | 124 Ų | 124 | 159 Ų | 159 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 139.2 | 161.3 | 32.1 | -28.4 | 0 | 0 | 0 | 111.1 | P170 | P170-P172 WeakPolarHBondContact O-CD 2.88Š|
| 173 | R | 65.7 | Low | 62.3 | Low | 213 Ų | 213 | 159.4 Ų | 159.4 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 126.4 | -167.9 | -59.5 | 160 | 62.8 | 120.1 | 1.4 | 109.8 | K175 | R173-K175 PolarHBondContact O-N 3.33Š|
| 174 | L | 65.2 | Low | 63 | Low | 179 Ų | 179 | 160.3 Ų | 160.3 | 94% | 0.937 | 82% | 0.823 | S | S | * | * | | | trans | -83.4 | 114.2 | 168.3 | -62.4 | 177.1 | 0 | 0 | 0 | 109.3 | | |
| 175 | K | 65.7 | Low | 63.4 | Low | 184 Ų | 184 | 152.8 Ų | 152.8 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | | | trans | -100.5 | 101.2 | 163.4 | -65 | -170.7 | -176.8 | -179.5 | 0 | 107.4 | R173 | R173-K175 PolarHBondContact O-N 3.33Š|
| 176 | A | 60 | Low | 63.5 | Low | 89 Ų | 89 | 153.4 Ų | 153.4 | 74% | 0.736 | 82% | 0.82 | S | S | * | * | | | trans | -100.1 | 117.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 177 | T | 55.2 | Low | 63.3 | Low | 134 Ų | 134 | 148.6 Ų | 148.6 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | | | trans | -103.7 | 104.8 | 164.9 | -59 | 0 | 0 | 0 | 0 | 106.6 | | |
| 178 | V | 64.6 | Low | 63 | Low | 120 Ų | 120 | 148.8 Ų | 148.8 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | | | trans | -107.4 | 122.5 | 176.8 | 166.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 179 | T | 60 | Low | 62.7 | Low | 126 Ų | 126 | 146.2 Ų | 146.2 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | | | trans | -130.9 | 99.9 | 172.1 | 52.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 180 | P | 68.6 | Low | 62.1 | Low | 119 Ų | 119 | 140.9 Ų | 140.9 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 120.2 | 170.3 | 31.4 | -21.4 | 0 | 0 | 0 | 110 | | |
| 181 | S | 64.1 | Low | 61.7 | Low | 118 Ų | 118 | 144.9 Ų | 144.9 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 151.6 | 176.2 | -171.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 182 | P | 63.8 | Low | 60.8 | Low | 106 Ų | 106 | 141.4 Ų | 141.4 | 69% | 0.688 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 146.2 | -151.3 | 39.2 | -33.1 | 0 | 0 | 0 | 116.2 | | |
| 183 | V | 59.5 | Low | 59.7 | Low | 134 Ų | 134 | 139.9 Ų | 139.9 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | | | trans | 23 | 133.6 | 148.2 | -51.5 | 0 | 0 | 0 | 0 | 121 | | |
| 184 | K | 65 | Low | 58.7 | Low | 212 Ų | 212 | 134 Ų | 134 | 92% | 0.922 | 80% | 0.796 | S | S | * | * | | | trans | -154.5 | 115 | 142.7 | -73.5 | -164 | 180 | 162.8 | 0 | 113.9 | | |
| 185 | G | 63.1 | Low | 58.1 | Low | 72 Ų | 72 | 131 Ų | 131 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | | | trans | 83.8 | 156.2 | 138.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 186 | K | 60.5 | Low | 57.3 | Low | 214 Ų | 214 | 132.1 Ų | 132.1 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | | | cis | -170.2 | 130.1 | -6.9 | -102.3 | 176 | 179.1 | 175.6 | 0 | 106.3 | | |
| 187 | G | 58.8 | Low | 56.7 | Low | 78 Ų | 78 | 132.1 Ų | 132.1 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | 77.2 | 155.9 | 151.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 188 | K | 57.2 | Low | 56.5 | Low | 196 Ų | 196 | 131 Ų | 131 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | | | cis | -157.7 | 132.4 | -0.1 | -97.2 | -169.3 | 178.2 | -177.9 | 0 | 108.6 | | |
| 189 | V | 56.8 | Low | 55.8 | Low | 143 Ų | 143 | 134.6 Ų | 134.6 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | | | | 64.3 | 114.2 | 129.7 | -170.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 190 | G | 50.8 | Low | 55 | Low | 77 Ų | 77 | 135.6 Ų | 135.6 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | trans | 177.7 | 52.6 | 166 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 191 | R | 50.1 | Low | 54 | Low | 206 Ų | 206 | 138.1 Ų | 138.1 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | | | trans | -50.5 | 133.7 | -173.8 | 174 | 178.6 | 141.1 | 174.2 | -1 | 116.8 | T193 | R191-T193 HydrophobicContact CG-CG2 3.83Å; R191-T193 VanDerWaalsContact NE-CG2 3.27Å |
| 192 | P | 52.1 | Low | 52.8 | Low | 126 Ų | 126 | 138.6 Ų | 138.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -96.2 | 128.5 | 160.2 | 34.2 | -26.9 | 0 | 0 | 0 | 111 | | |
| 193 | T | 46.5 | Very low | 51.9 | Low | 91 Ų | 91 | 139.3 Ų | 139.3 | 56% | 0.558 | 80% | 0.795 | S | S | * | * | | | trans | -137.6 | 108 | 170 | 49.1 | 0 | 0 | 0 | 0 | 107.8 | R191 | R191-T193 HydrophobicContact CG-CG2 3.83Å; R191-T193 VanDerWaalsContact NE-CG2 3.27Å |
| 194 | A | 44.7 | Very low | 51.2 | Low | 91 Ų | 91 | 138.2 Ų | 138.2 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | | 75.6 | 122.5 | 81.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 195 | S | 52.7 | Low | 50.5 | Low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | | | trans | 153.1 | 102.7 | 148.2 | -67.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 196 | K | 49.2 | Very low | 50 | Low | 206 Ų | 206 | 137.9 Ų | 137.9 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | | | | 64 | 114.7 | 81.6 | -72.7 | -167.9 | 176.5 | 179 | 0 | 116.3 | | |
| 197 | A | 46.5 | Very low | 49.7 | Very low | 90 Ų | 90 | 135.4 Ų | 135.4 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | | | trans | 81 | 144.5 | 133.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 198 | S | 53 | Low | 49.4 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | trans | 98.1 | 103.3 | 151.6 | -36.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 199 | K | 48.4 | Very low | 49 | Very low | 194 Ų | 194 | 137.7 Ų | 137.7 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | | 83 | 125.3 | 86.9 | -98.8 | -173.2 | 179.7 | 178.6 | 0 | 114.5 | | |
| 200 | E | 43.9 | Very low | 48.7 | Very low | 148 Ų | 148 | 138.9 Ų | 138.9 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | | | trans | 89.8 | 130.7 | 141.1 | -124.6 | 176.7 | 130.8 | 0 | 0 | 120.7 | | |
| 201 | K | 47.8 | Very low | 48.6 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | 106.8 | 101.2 | 149.6 | -54.7 | -87.4 | 165.3 | 172.1 | 0 | 118.6 | | |
| 202 | T | 38.8 | Very low | 48.6 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | -43 | 176.5 | 149.5 | 50.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 203 | P | 45.7 | Very low | 48.4 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | | | cis | -134.5 | 176.8 | -6.8 | 25.9 | -0.4 | 0 | 0 | 0 | 115.8 | | |
| 204 | S | 44.1 | Very low | 48.4 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -45.6 | 164.3 | 176.7 | -21.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 205 | P | 49.1 | Very low | 48.9 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | | | | -158.6 | 166.2 | 77.4 | 42.6 | -22 | 0 | 0 | 0 | 119.1 | | |
| 206 | K | 53.1 | Low | 48.7 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | | | trans | 76.9 | 139.6 | 156.6 | -67.6 | 160.4 | -174.8 | 174.3 | 0 | 117.3 | | |
| 207 | E | 54.3 | Low | 48.7 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | | | cis | -169.1 | 158.1 | 13.4 | -121.8 | 158.6 | 169.3 | 0 | 0 | 108.5 | | |
| 208 | E | 51.8 | Low | 48.8 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | | | trans | 73 | 129.6 | 164.8 | -67.9 | -177.3 | 152.4 | 0 | 0 | 117.8 | | |
| 209 | D | 49.5 | Very low | 48.6 | Very low | 135 Ų | 135 | 147.7 Ų | 147.7 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | | | cis | -175.8 | 135.4 | -6.8 | -161.9 | 30.3 | 0 | 0 | 0 | 105.2 | | |
| 210 | E | 51.5 | Low | 48.4 | Very low | 169 Ų | 169 | 145 Ų | 145 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | | | trans | 44.1 | 101.3 | 165.4 | -57 | -159.4 | 126.1 | 0 | 0 | 119.4 | | |
| 211 | E | 47.8 | Very low | 48.7 | Very low | 192 Ų | 192 | 142.6 Ų | 142.6 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | | | | 61.3 | 151.4 | 64 | -106.5 | -145.4 | 95.4 | 0 | 0 | 115.8 | | |
| 212 | P | 51 | Low | 48.8 | Very low | 97 Ų | 97 | 140.2 Ų | 140.2 | 63% | 0.63 | 76% | 0.762 | S | S | * | * | | | | -132.5 | 150.3 | -124.7 | 34 | -12 | 0 | 0 | 0 | 113.2 | | |
| 213 | E | 47.5 | Very low | 49.2 | Very low | 204 Ų | 204 | 139.5 Ų | 139.5 | 95% | 0.953 | 76% | 0.763 | S | S | * | * | | | trans | -153 | 141.3 | 166.6 | -131.8 | 175.3 | 155.1 | 0 | 0 | 116.4 | | |
| 214 | S | 45.3 | Very low | 49.9 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -75 | 168.8 | -164 | -90.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 215 | P | 56.5 | Low | 50.5 | Low | 122 Ų | 122 | 139.7 Ų | 139.7 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | | | trans | -87.5 | 158.2 | -175.6 | 36.4 | -34.7 | 0 | 0 | 0 | 113.7 | | |
| 216 | P | 48.1 | Very low | 50.9 | Low | 114 Ų | 114 | 140.1 Ų | 140.1 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | | | trans | -136.9 | 128.7 | 148.4 | 31.7 | -14 | 0 | 0 | 0 | 112.7 | | |
| 217 | E | 49.3 | Very low | 50.9 | Low | 147 Ų | 147 | 139.1 Ų | 139.1 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | | | | 71.1 | 113.8 | 102.7 | -58.5 | -149.6 | 142.2 | 0 | 0 | 117.2 | | |
| 218 | K | 48 | Very low | 51.1 | Low | 141 Ų | 141 | 139.4 Ų | 139.4 | 61% | 0.613 | 76% | 0.761 | S | S | * | * | | | | 73.9 | 120.2 | 125.4 | -68.6 | 173.5 | -163.7 | 152.2 | 0 | 120 | | |
| 219 | K | 49.9 | Very low | 51 | Low | 171 Ų | 171 | 136.3 Ų | 136.3 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | | | | 98.2 | 131.7 | 117.8 | -78.6 | 179.6 | -176.4 | -167.9 | 0 | 119.7 | | |
| 220 | T | 42.9 | Very low | 51.1 | Low | 137 Ų | 137 | 133.2 Ų | 133.2 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | | | trans | 71.3 | 141.7 | 145.9 | 63.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 221 | S | 50.6 | Low | 51.4 | Low | 98 Ų | 98 | 132.5 Ų | 132.5 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | | | cis | -169.3 | 149.4 | 23.2 | 92.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 222 | T | 50.5 | Low | 51.9 | Low | 121 Ų | 121 | 132 Ų | 132 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | | | trans | 77.8 | 95.6 | 135 | -43.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 223 | S | 47.6 | Very low | 52.2 | Low | 114 Ų | 114 | 130.4 Ų | 130.4 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | | 49.5 | 155.5 | 112.4 | -76.1 | 0 | 0 | 0 | 0 | 124.5 | | |
| 224 | P | 59.7 | Low | 52.8 | Low | 119 Ų | 119 | 125.8 Ų | 125.8 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | | | | -127.7 | -150.4 | -125.3 | 48.5 | -31.3 | 0 | 0 | 0 | 115.3 | | |
| 225 | P | 57.6 | Low | 53.2 | Low | 115 Ų | 115 | 129.7 Ų | 129.7 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | | | | -109.9 | -176.5 | -128.3 | 38.2 | -17 | 0 | 0 | 0 | 115.9 | | |
| 226 | P | 56.2 | Low | 53.6 | Low | 113 Ų | 113 | 131.3 Ų | 131.3 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | | | trans | -125.2 | 121.7 | 152.2 | 34.2 | -19.9 | 0 | 0 | 0 | 111.6 | | |
| 227 | E | 52.8 | Low | 54 | Low | 153 Ų | 153 | 135.2 Ų | 135.2 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | | | | 83.6 | 134 | 88.7 | -75.5 | -158.3 | 155.5 | 0 | 0 | 115.1 | | |
| 228 | K | 58.3 | Low | 54.9 | Low | 168 Ų | 168 | 131.9 Ų | 131.9 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | | | trans | 92.9 | 88.1 | 150.3 | -72.2 | 157.1 | 177.1 | 146.2 | 0 | 119 | G230 | K228-G230 PolarHBondContact O-N 2.76Š|
| 229 | S | 51.2 | Low | 55.5 | Low | 121 Ų | 121 | 131.7 Ų | 131.7 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | | -16.2 | 116.9 | 126.5 | 51.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 230 | G | 51.4 | Low | 56.4 | Low | 70 Ų | 70 | 129.1 Ų | 129.1 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | trans | -107.2 | 159.2 | 148.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | K228 | K228-G230 PolarHBondContact O-N 2.76Š|
| 231 | D | 57.6 | Low | 57.4 | Low | 154 Ų | 154 | 125.6 Ų | 125.6 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | | | trans | 89.2 | 83.8 | 165 | -141.7 | 52.7 | 0 | 0 | 0 | 115.5 | | |
| 232 | E | 58.4 | Low | 58.2 | Low | 183 Ų | 183 | 130.7 Ų | 130.7 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | | | | -161.3 | 111.9 | 128.6 | -82.3 | -53.6 | 149.3 | 0 | 0 | 105.1 | | |
| 233 | G | 56.6 | Low | 58.5 | Low | 62 Ų | 62 | 136.7 Ų | 136.7 | 64% | 0.639 | 81% | 0.812 | S | S | * | * | | | trans | -82.7 | 145.3 | -168 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 234 | S | 60 | Low | 59.1 | Low | 107 Ų | 107 | 137.8 Ų | 137.8 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | | | trans | 41.2 | 106.4 | 138.9 | 62 | 0 | 0 | 0 | 0 | 117 | | |
| 235 | E | 53.3 | Low | 59 | Low | 193 Ų | 193 | 138.8 Ų | 138.8 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | | | | 42.9 | 91.8 | 74.9 | -56.7 | -172.5 | 177.9 | 0 | 0 | 112.8 | | |
| 236 | D | 66.1 | Low | 59.1 | Low | 156 Ų | 156 | 140.1 Ų | 140.1 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | | | trans | -149 | 82.4 | 148.6 | -156.6 | 73 | 0 | 0 | 0 | 108.8 | | |
| 237 | E | 56.5 | Low | 59.3 | Low | 196 Ų | 196 | 141.7 Ų | 141.7 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | | | trans | -89.1 | 114.5 | 155.1 | -102.5 | -162.7 | 127.6 | 0 | 0 | 107.3 | | |
| 238 | A | 68.1 | Low | 59.7 | Low | 78 Ų | 78 | 141 Ų | 141 | 65% | 0.645 | 83% | 0.831 | S | S | * | * | | | trans | -152.4 | 116.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 239 | P | 61 | Low | 59.8 | Low | 137 Ų | 137 | 139.2 Ų | 139.2 | 89% | 0.89 | 84% | 0.838 | S | S | * | * | | | trans | -84.9 | 114.8 | 170 | 31.9 | -28.5 | 0 | 0 | 0 | 109.9 | | |
| 240 | S | 68.9 | Low | 60.4 | Low | 116 Ų | 116 | 140.5 Ų | 140.5 | 81% | 0.811 | 84% | 0.837 | S | S | * | * | | | trans | -116.1 | 128.8 | 158.5 | 59.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 241 | G | 63.5 | Low | 61.1 | Low | 64 Ų | 64 | 145.9 Ų | 145.9 | 66% | 0.66 | 85% | 0.846 | S | S | * | * | | | cis | 83.2 | 81.2 | 18.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 242 | E | 67.1 | Low | 61.4 | Low | 204 Ų | 204 | 145.3 Ų | 145.3 | 95% | 0.953 | 85% | 0.848 | S | S | * | * | | | trans | 153.1 | 131.7 | 139.7 | -85.6 | 177.2 | 89.3 | 0 | 0 | 112.7 | | |
| 243 | D | 57.4 | Low | 61.7 | Low | 247 Ų | 247 | 141.8 Ų | 141.8 | 100% | 1.321 | 85% | 0.847 | S | S | * | * | | | trans | 72.6 | 0 | 163.6 | -138.6 | 36.3 | 0 | 0 | 0 | 120.5 | | |