| 1 | M | 69.4 | Low | 82.7 | Confident | 246 Ų | 246 | 169.5 Ų | 169.5 | 100% | 1.212 | 84% | 0.838 | S | S | * | * | | | | 0 | 116.8 | 0 | -67.3 | 168.3 | 177 | 0 | 0 | 108.2 | | |
| 2 | S | 78.1 | Confident | 83.2 | Confident | 122 Ų | 122 | 162.9 Ų | 162.9 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 134.8 | -179 | 50.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 3 | R | 85.4 | Confident | 83.3 | Confident | 231 Ų | 231 | 163.2 Ų | 163.2 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 142.3 | -179.5 | -72 | 176.9 | 168.2 | 168.5 | -4.1 | 111.1 | V5 | R3-V5 PolarHBondContact O-N 2.93Š|
| 4 | P | 77.3 | Confident | 83.3 | Confident | 112 Ų | 112 | 156.6 Ų | 156.6 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 128.9 | 176.5 | 26 | -32 | 0 | 0 | 0 | 110.4 | R6 | P4-R6 PolarHBondContact O-N 3.22Š|
| 5 | V | 81.2 | Confident | 82.7 | Confident | 132 Ų | 132 | 155.3 Ų | 155.3 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 122.8 | 177.1 | -174.5 | 0 | 0 | 0 | 0 | 108.2 | R3 | R3-V5 PolarHBondContact O-N 2.93Š|
| 6 | R | 85.1 | Confident | 82.1 | Confident | 205 Ų | 205 | 154.2 Ų | 154.2 | 77% | 0.774 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 136.8 | 174.1 | -66.3 | -174.1 | 179.9 | 97.4 | -2.8 | 109.4 | P4 R8 | P4-R6 PolarHBondContact O-N 3.22Å; R6-R8 PolarHBondContact O-N 2.92Å |
| 7 | N | 83.4 | Confident | 81.3 | Confident | 164 Ų | 164 | 153.2 Ų | 153.2 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | | | trans | -63.5 | 105.1 | 176.6 | -62.6 | -10.9 | 0 | 0 | 0 | 109.6 | | |
| 8 | R | 84.9 | Confident | 80.3 | Confident | 230 Ų | 230 | 154.6 Ų | 154.6 | 87% | 0.868 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -92 | 126.8 | 174.8 | -66.8 | 172.8 | -173.1 | 153.4 | -0.7 | 108.5 | R6 | R6-R8 PolarHBondContact O-N 2.92Š|
| 9 | K | 88.1 | Confident | 79.2 | Confident | 193 Ų | 193 | 150.7 Ų | 150.7 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 131.1 | 173.2 | -59.4 | 176.6 | 78.7 | 142 | 0 | 107.1 | V11 | K9-V11 PolarHBondContact O-N 3.04Š|
| 10 | V | 86.6 | Confident | 78.4 | Confident | 146 Ų | 146 | 149.8 Ų | 149.8 | 89% | 0.885 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 125.9 | 172.1 | -178.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 11 | V | 89.8 | Confident | 77.3 | Confident | 84 Ų | 84 | 149.5 Ų | 149.5 | 51% | 0.509 | 74% | 0.743 | S | S | . | * | P | Polyproline II helix | trans | -89 | 130.6 | 175.8 | 177.3 | 0 | 0 | 0 | 0 | 107.6 | K9 Y13 | K9-V11 PolarHBondContact O-N 3.04Å; V11-Y13 HydrophobicContact CB-CE2 4.13Å; V11-Y13 HydrophobicContact CG1-CE2 4.3Å; V11-Y13 VanDerWaalsContact O-CD2 3.32Å; V11-Y13 WeakPolarHBondContact O-CD2 3.19Å |
| 12 | D | 89.6 | Confident | 76.8 | Confident | 90 Ų | 90 | 140.1 Ų | 140.1 | 48% | 0.481 | 71% | 0.705 | S | S | . | * | | | trans | -86.8 | 108.9 | 176.9 | 174.4 | 19.1 | 0 | 0 | 0 | 110.1 | S14 | D12-S14 VanDerWaalsContact C-N 3.29Å; D12-S14 WeakPolarHBondContact OD1-CB 3.18Å; D12-S14 PolarHBondContact OD1-N 3.03Å |
| 13 | Y | 83.6 | Confident | 75.9 | Confident | 166 Ų | 166 | 140.8 Ų | 140.8 | 65% | 0.651 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -3.8 | -179.3 | -69.1 | -87.8 | 0 | 0 | 0 | 113.3 | V11 Q15 F16 | V11-Y13 HydrophobicContact CB-CE2 4.13Å; V11-Y13 HydrophobicContact CG1-CE2 4.3Å; V11-Y13 VanDerWaalsContact O-CD2 3.32Å; V11-Y13 WeakPolarHBondContact O-CD2 3.19Å; Y13-Q15 PolarHBondContact O-N 3.02Å; Y13-F16 PolarHBondContact O-N 3.12Å |
| 14 | S | 83.3 | Confident | 74.6 | Confident | 71 Ų | 71 | 138.3 Ų | 138.3 | 50% | 0.497 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -62.6 | -26 | 172.7 | -166.7 | 0 | 0 | 0 | 0 | 111.9 | D12 F16 Q17 | D12-S14 VanDerWaalsContact C-N 3.29Å; D12-S14 WeakPolarHBondContact OD1-CB 3.18Å; D12-S14 PolarHBondContact OD1-N 3.03Å; S14-F16 PolarHBondContact O-N 3.16Å; S14-Q17 PolarHBondContact O-N 3.27Å |
| 15 | Q | 75.6 | Confident | 73.7 | Confident | 138 Ų | 138 | 138.9 Ų | 138.9 | 65% | 0.645 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -68.5 | -16.2 | 179.7 | -62.7 | 179.2 | 40.5 | 0 | 0 | 113.8 | Y13 | Y13-Q15 PolarHBondContact O-N 3.02Å |
| 16 | F | 73.1 | Confident | 72.4 | Confident | 137 Ų | 137 | 141.7 Ų | 141.7 | 60% | 0.601 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -105.6 | -9.5 | -179.9 | -65.1 | -83.6 | 0 | 0 | 0 | 113.1 | Y13 S14 E18 S19 | Y13-F16 PolarHBondContact O-N 3.12Å; S14-F16 PolarHBondContact O-N 3.16Å; F16-E18 VanDerWaalsContact C-N 3.27Å; F16-E18 PolarHBondContact O-N 3.38Å; F16-S19 PolarHBondContact O-N 3.27Å |
| 17 | Q | 67.9 | Low | 71.2 | Confident | 138 Ų | 138 | 135.7 Ų | 135.7 | 65% | 0.645 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -69 | -24.4 | 179.1 | -76.2 | 173.9 | 50.6 | 0 | 0 | 112.8 | S14 S19 D20 | S14-Q17 PolarHBondContact O-N 3.27Å; Q17-S19 PolarHBondContact O-N 3.39Å; Q17-D20 PolarHBondContact O-N 2.94Å |
| 18 | E | 63 | Low | 69.8 | Low | 177 Ų | 177 | 138 Ų | 138 | 83% | 0.827 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -6.4 | 173.4 | -87.7 | 177.1 | 169.3 | 0 | 0 | 113.9 | F16 | F16-E18 VanDerWaalsContact C-N 3.27Å; F16-E18 PolarHBondContact O-N 3.38Å |
| 19 | S | 60 | Low | 68.4 | Low | 82 Ų | 82 | 133.1 Ų | 133.1 | 57% | 0.573 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -6.8 | 178.1 | -55.2 | 0 | 0 | 0 | 0 | 114.1 | F16 Q17 D21 A22 | F16-S19 PolarHBondContact O-N 3.27Å; Q17-S19 PolarHBondContact O-N 3.39Å; S19-D21 VanDerWaalsContact C-N 3.26Å; S19-D21 PolarHBondContact O-N 2.84Å; S19-A22 WeakPolarHBondContact O-CB 3.38Å; S19-A22 PolarHBondContact O-N 2.81Å |
| 20 | D | 62 | Low | 67 | Low | 132 Ų | 132 | 128.3 Ų | 128.3 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -77.3 | -12.7 | 179.2 | -145.5 | 40.4 | 0 | 0 | 0 | 112.5 | Q17 A22 | Q17-D20 PolarHBondContact O-N 2.94Å; D20-A22 VanDerWaalsContact C-N 3.26Å; D20-A22 PolarHBondContact O-N 3.16Å |
| 21 | D | 56.3 | Low | 65.9 | Low | 144 Ų | 144 | 123.9 Ų | 123.9 | 77% | 0.77 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -83.2 | 6.8 | 172.7 | -97.4 | -33.4 | 0 | 0 | 0 | 113.3 | S19 | S19-D21 VanDerWaalsContact C-N 3.26Å; S19-D21 PolarHBondContact O-N 2.84Å |
| 22 | A | 59.3 | Low | 64.5 | Low | 49 Ų | 49 | 125.7 Ų | 125.7 | 41% | 0.405 | 67% | 0.669 | S | S | . | * | G | 310 helix | trans | -88.1 | -1.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S19 D20 E24 | S19-A22 WeakPolarHBondContact O-CB 3.38Å; S19-A22 PolarHBondContact O-N 2.81Å; D20-A22 VanDerWaalsContact C-N 3.26Å; D20-A22 PolarHBondContact O-N 3.16Å; A22-E24 VanDerWaalsContact C-N 3.33Å; A22-E24 PolarHBondContact O-N 3.04Å |
| 23 | D | 58.4 | Low | 63 | Low | 135 Ų | 135 | 126.8 Ų | 126.8 | 72% | 0.722 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -78.9 | -9.7 | -176.3 | -78 | -27 | 0 | 0 | 0 | 114.2 | | |
| 24 | E | 57.8 | Low | 61.8 | Low | 180 Ų | 180 | 123.2 Ų | 123.2 | 84% | 0.841 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -82.1 | -15.8 | -177.7 | -64.8 | -167.7 | 156.2 | 0 | 0 | 114.6 | A22 | A22-E24 VanDerWaalsContact C-N 3.33Å; A22-E24 PolarHBondContact O-N 3.04Å |
| 25 | D | 58.3 | Low | 60.6 | Low | 124 Ų | 124 | 129.3 Ų | 129.3 | 66% | 0.663 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -106.9 | -6.6 | -173 | -151.2 | 25.7 | 0 | 0 | 0 | 114.6 | G27 | D25-G27 PolarHBondContact O-N 3.43Š|
| 26 | Y | 54.5 | Low | 59.8 | Low | 190 Ų | 190 | 132.4 Ų | 132.4 | 75% | 0.745 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -9.9 | -176.9 | -92 | -85.4 | 0 | 0 | 0 | 115 | | |
| 27 | G | 59.2 | Low | 59.2 | Low | 79 Ų | 79 | 133.6 Ų | 133.6 | 81% | 0.814 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -19.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | D25 | D25-G27 PolarHBondContact O-N 3.43Š|
| 28 | R | 55.3 | Low | 58.6 | Low | 213 Ų | 213 | 138.1 Ų | 138.1 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -32.4 | -164.3 | -152.5 | 177.7 | -175.3 | -82.5 | 0.5 | 115.9 | | |
| 29 | D | 55.5 | Low | 58.4 | Low | 128 Ų | 128 | 134.7 Ų | 134.7 | 68% | 0.684 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -121.9 | -5.9 | -167.7 | -70.4 | -18.7 | 0 | 0 | 0 | 115.5 | G31 | D29-G31 PolarHBondContact O-N 3.43Š|
| 30 | S | 57.7 | Low | 58.2 | Low | 91 Ų | 91 | 135.3 Ų | 135.3 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | | | trans | -95.1 | 67.8 | 176.4 | -175.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 31 | G | 63.1 | Low | 57.7 | Low | 54 Ų | 54 | 134.6 Ų | 134.6 | 56% | 0.557 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 146.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110 | D29 | D29-G31 PolarHBondContact O-N 3.43Š|
| 32 | P | 60.5 | Low | 57.7 | Low | 121 Ų | 121 | 139.3 Ų | 139.3 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 131.5 | -169.4 | 21.2 | -32.9 | 0 | 0 | 0 | 109.9 | A34 | P32-A34 PolarHBondContact O-N 3.47Š|
| 33 | P | 59.4 | Low | 57.1 | Low | 114 Ų | 114 | 145.6 Ų | 145.6 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 116 | -175.2 | 22.9 | -33 | 0 | 0 | 0 | 107.8 | K35 | P33-K35 PolarHBondContact O-N 3.4Š|
| 34 | A | 58.3 | Low | 56.8 | Low | 90 Ų | 90 | 143.1 Ų | 143.1 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | | | trans | -45.7 | 113 | 179.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | P32 K36 | P32-A34 PolarHBondContact O-N 3.47Å; A34-K36 PolarHBondContact O-N 3.18Å |
| 35 | K | 57.3 | Low | 56.9 | Low | 200 Ų | 200 | 143.9 Ų | 143.9 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | | | trans | -51.5 | 103.7 | -175.1 | -65.9 | 175 | -178.5 | 175.8 | 0 | 106.8 | P33 I37 | P33-K35 PolarHBondContact O-N 3.4Å; K35-I37 VanDerWaalsContact C-N 3.34Å; K35-I37 PolarHBondContact O-N 3.26Å |
| 36 | K | 59 | Low | 56.7 | Low | 202 Ų | 202 | 144.6 Ų | 144.6 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | | | trans | -60.4 | 104.6 | 174.8 | -77.5 | -178.4 | 165.5 | 173.4 | 0 | 105.5 | A34 R38 | A34-K36 PolarHBondContact O-N 3.18Å; K36-R38 PolarHBondContact O-N 3.19Å |
| 37 | I | 59.8 | Low | 56.6 | Low | 163 Ų | 163 | 144.9 Ų | 144.9 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | | | trans | -54.9 | 108.7 | 173.6 | -58.5 | 170.4 | 0 | 0 | 0 | 104.9 | K35 S39 | K35-I37 VanDerWaalsContact C-N 3.34Å; K35-I37 PolarHBondContact O-N 3.26Å; I37-S39 PolarHBondContact O-N 3.41Å |
| 38 | R | 56.6 | Low | 56.6 | Low | 232 Ų | 232 | 152.2 Ų | 152.2 | 88% | 0.875 | 78% | 0.778 | S | S | * | * | | | trans | -51.9 | 109.2 | 172.5 | -174.5 | 174.3 | -174.2 | 157.9 | -1.3 | 104.9 | K36 S40 | K36-R38 PolarHBondContact O-N 3.19Å; R38-S40 PolarHBondContact O-N 3.24Å |
| 39 | S | 57.4 | Low | 56.6 | Low | 105 Ų | 105 | 153.7 Ų | 153.7 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | -48.8 | 114.8 | 172.9 | 50.9 | 0 | 0 | 0 | 0 | 106.6 | I37 | I37-S39 PolarHBondContact O-N 3.41Š|
| 40 | S | 56.6 | Low | 56.5 | Low | 95 Ų | 95 | 153.2 Ų | 153.2 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | | | trans | -52.1 | 136.7 | 175.4 | 50.8 | 0 | 0 | 0 | 0 | 107.7 | R38 R42 | R38-S40 PolarHBondContact O-N 3.24Å; S40-R42 PolarHBondContact O-N 3.15Å; S40-R42 VanDerWaalsContact O-N 3.08Å |
| 41 | P | 52.4 | Low | 55.9 | Low | 118 Ų | 118 | 152.1 Ų | 152.1 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | | | trans | -52.9 | 124.1 | 170.5 | -20.6 | 31.5 | 0 | 0 | 0 | 107 | E43 | P41-E43 PolarHBondContact O-N 3.01Š|
| 42 | R | 56.1 | Low | 55.2 | Low | 243 Ų | 243 | 158.1 Ų | 158.1 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | | | trans | -42.5 | 116.1 | 175.9 | -78.1 | 174.5 | 167.1 | 177.6 | -4.1 | 108.8 | S40 A44 | S40-R42 PolarHBondContact O-N 3.15Å; S40-R42 VanDerWaalsContact O-N 3.08Å; R42-A44 PolarHBondContact O-N 3.29Å |
| 43 | E | 46.6 | Very low | 54.6 | Low | 181 Ų | 181 | 159.5 Ų | 159.5 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | | | trans | -56.8 | 104.3 | 170.2 | -66.3 | 178.1 | 132.6 | 0 | 0 | 108.1 | P41 K45 | P41-E43 PolarHBondContact O-N 3.01Å; E43-K45 PolarHBondContact O-N 2.67Å |
| 44 | A | 51.8 | Low | 53.8 | Low | 82 Ų | 82 | 159.4 Ų | 159.4 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | | | trans | -63.6 | 118.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 106 | R42 N46 | R42-A44 PolarHBondContact O-N 3.29Å; A44-N46 VanDerWaalsContact C-N 3.28Å; A44-N46 PolarHBondContact O-N 3.44Å |
| 45 | K | 59.5 | Low | 53.6 | Low | 197 Ų | 197 | 163.7 Ų | 163.7 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | | | trans | -65 | 86.4 | 179.8 | -68.8 | 177.9 | 176.1 | 173.4 | 0 | 110 | E43 K47 | E43-K45 PolarHBondContact O-N 2.67Å; K45-K47 PolarHBondContact O-N 3.48Å |
| 46 | N | 53.4 | Low | 52.9 | Low | 139 Ų | 139 | 162.2 Ų | 162.2 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | | | trans | -97.6 | 83.2 | 163.7 | -63.6 | 23 | 0 | 0 | 0 | 106.2 | A44 R48 | A44-N46 VanDerWaalsContact C-N 3.28Å; A44-N46 PolarHBondContact O-N 3.44Å; N46-R48 VanDerWaalsContact C-N 3.3Å; N46-R48 PolarHBondContact O-N 3.44Å |
| 47 | K | 54 | Low | 52.4 | Low | 196 Ų | 196 | 159.5 Ų | 159.5 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | | | trans | -61.3 | 98.5 | 165 | -82.2 | -176.4 | 174.7 | -179.8 | 0 | 107.5 | K45 R49 | K45-K47 PolarHBondContact O-N 3.48Å; K47-R49 PolarHBondContact O-N 3.5Å |
| 48 | R | 57.7 | Low | 51.8 | Low | 233 Ų | 233 | 157.8 Ų | 157.8 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | | | trans | -56 | 126.4 | 159.1 | -63.4 | 170.4 | 68.6 | 173.4 | 1.2 | 107.2 | N46 | N46-R48 VanDerWaalsContact C-N 3.3Å; N46-R48 PolarHBondContact O-N 3.44Å |
| 49 | R | 55.9 | Low | 51.5 | Low | 244 Ų | 244 | 155.5 Ų | 155.5 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | | | trans | -100.7 | 109 | 147.8 | -78.8 | -168 | 175.5 | 174.7 | -0.7 | 106.6 | K47 | K47-R49 PolarHBondContact O-N 3.5Š|
| 50 | S | 53.7 | Low | 51.1 | Low | 117 Ų | 117 | 157.7 Ų | 157.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -63.8 | 122.5 | 158.7 | 49.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 51 | G | 45.6 | Very low | 50.8 | Low | 69 Ų | 69 | 158.7 Ų | 158.7 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | | | trans | -142.5 | 104.2 | 150 | 0 | 0 | 0 | 0 | 0 | 103.4 | | |
| 52 | K | 46.9 | Very low | 50.6 | Low | 179 Ų | 179 | 162 Ų | 162 | 78% | 0.778 | 82% | 0.821 | S | S | * | * | | | | 55.1 | 88 | 61.6 | -134.3 | 168.7 | -169.1 | 173.8 | 0 | 111.7 | | |
| 53 | N | 48.4 | Very low | 50.1 | Low | 150 Ų | 150 | 159 Ų | 159 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | | | trans | 28.4 | 103.7 | 136.4 | -10.7 | -17.8 | 0 | 0 | 0 | 115.2 | | |
| 54 | S | 43.4 | Very low | 50.4 | Low | 113 Ų | 113 | 158.7 Ų | 158.7 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | | | trans | -149.3 | 94.3 | 146 | 58.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 55 | Q | 52.6 | Low | 50.5 | Low | 180 Ų | 180 | 161.4 Ų | 161.4 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | | | trans | -58.7 | 154.4 | 146.3 | -173.4 | 174.4 | -79.2 | 0 | 0 | 108 | | |
| 56 | E | 42.8 | Very low | 49.9 | Very low | 168 Ų | 168 | 157.9 Ų | 157.9 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | 97.6 | 129.5 | 172.7 | -54 | -175.2 | 115.3 | 0 | 0 | 117 | | |
| 57 | D | 50.1 | Low | 49.8 | Very low | 145 Ų | 145 | 160.4 Ų | 160.4 | 78% | 0.775 | 82% | 0.815 | S | S | * | * | | | trans | 75.9 | 86.3 | 168 | -60.7 | -43.1 | 0 | 0 | 0 | 119.8 | | |
| 58 | S | 46.3 | Very low | 49.4 | Very low | 127 Ų | 127 | 157.9 Ų | 157.9 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | | | trans | -152.4 | 82.2 | 137.3 | -65.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 59 | E | 50.8 | Low | 49.1 | Very low | 184 Ų | 184 | 156.2 Ų | 156.2 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | | | trans | -64.6 | 151.2 | 148.7 | -64.7 | -178.5 | 125.3 | 0 | 0 | 108.2 | | |
| 60 | D | 49.2 | Very low | 49.2 | Very low | 152 Ų | 152 | 153.4 Ų | 153.4 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | 101.1 | 82.6 | 172.5 | -156.4 | 40.8 | 0 | 0 | 0 | 117 | | |
| 61 | S | 49 | Very low | 48.8 | Very low | 116 Ų | 116 | 154.1 Ų | 154.1 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | | | | -172.5 | 107 | 127.7 | -84 | 0 | 0 | 0 | 0 | 109.9 | | |
| 62 | E | 48.5 | Very low | 48.9 | Very low | 188 Ų | 188 | 157.9 Ų | 157.9 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | | | trans | -60.5 | 144.3 | 163 | -54.4 | -174 | 131 | 0 | 0 | 110.5 | | |
| 63 | E | 47 | Very low | 49 | Very low | 178 Ų | 178 | 153 Ų | 153 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | trans | 157.7 | 109.7 | 133.3 | -170 | 162.7 | -157.5 | 0 | 0 | 110.8 | | |
| 64 | K | 52.6 | Low | 48.9 | Very low | 175 Ų | 175 | 154 Ų | 154 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | | | trans | 14.9 | 129 | 146.8 | -47 | -171.6 | -176.9 | 174 | 0 | 116.6 | | |
| 65 | D | 52.4 | Low | 48.8 | Very low | 140 Ų | 140 | 154.1 Ų | 154.1 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | | | | -174.1 | 137.3 | 78 | -95 | -58.1 | 0 | 0 | 0 | 113.7 | | |
| 66 | V | 47.8 | Very low | 48.4 | Very low | 122 Ų | 122 | 149.2 Ų | 149.2 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | | | trans | 13.6 | 122.8 | 153.2 | -68.8 | 0 | 0 | 0 | 0 | 123.5 | | |
| 67 | K | 50.8 | Low | 48.6 | Very low | 193 Ų | 193 | 151 Ų | 151 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | | | | 35.4 | 121.7 | 119 | -106.6 | 173.6 | 179.3 | 171.9 | 0 | 117.8 | | |
| 68 | T | 46.2 | Very low | 48.7 | Very low | 142 Ų | 142 | 150.6 Ų | 150.6 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | | | | 174.4 | 151.8 | 102.3 | 37.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 69 | K | 51.5 | Low | 48.8 | Very low | 199 Ų | 199 | 149.2 Ų | 149.2 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | | | trans | -67 | 159.4 | 178.6 | -61 | 179.4 | 169.4 | 179.2 | 0 | 113.8 | | |
| 70 | K | 56.6 | Low | 48.7 | Very low | 184 Ų | 184 | 149.9 Ų | 149.9 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | | | trans | 86.1 | 149.6 | 141 | -149 | -178.9 | 174.4 | -178 | 0 | 116.8 | | |
| 71 | D | 45.8 | Very low | 48.7 | Very low | 133 Ų | 133 | 149.3 Ų | 149.3 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | trans | 95.4 | 100.8 | 165 | -52.9 | -52.6 | 0 | 0 | 0 | 115.4 | | |
| 72 | D | 49 | Very low | 49 | Very low | 148 Ų | 148 | 150.9 Ų | 150.9 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | | | | 176.5 | 102 | 109.7 | -141.2 | -140.2 | 0 | 0 | 0 | 108.2 | | |
| 73 | S | 48.2 | Very low | 49.4 | Very low | 76 Ų | 76 | 150 Ų | 150 | 53% | 0.531 | 77% | 0.772 | S | S | . | * | | | | 67.8 | 109.8 | 76.4 | 107.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 74 | H | 45.7 | Very low | 49.8 | Very low | 172 Ų | 172 | 148.4 Ų | 148.4 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | | | trans | 58.4 | 118.4 | 151.3 | -51.6 | -68.2 | 0 | 0 | 0 | 120.9 | | |
| 75 | S | 42.8 | Very low | 49.8 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | | 166.8 | 134.9 | 104.9 | -79 | 0 | 0 | 0 | 0 | 112.8 | | |
| 76 | A | 44 | Very low | 50.1 | Low | 76 Ų | 76 | 146.1 Ų | 146.1 | 63% | 0.628 | 76% | 0.759 | S | S | * | * | | | trans | 53 | 116.1 | 149.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | D78 | A76-D78 HydrophobicContact CB-CB 4.16Å; A76-D78 PolarHBondContact O-N 3.39Å |
| 77 | E | 46.9 | Very low | 50.9 | Low | 205 Ų | 205 | 146.1 Ų | 146.1 | 96% | 0.958 | 75% | 0.749 | S | S | * | * | S | Bend | | 32.7 | 44 | 57.1 | -63.1 | -64.3 | 133.5 | 0 | 0 | 113 | | |
| 78 | D | 50.8 | Low | 51.5 | Low | 138 Ų | 138 | 143.5 Ų | 143.5 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | | | trans | -167.4 | 77.4 | 159.7 | -164.5 | 24.9 | 0 | 0 | 0 | 110.6 | A76 | A76-D78 HydrophobicContact CB-CB 4.16Å; A76-D78 PolarHBondContact O-N 3.39Å |
| 79 | S | 48.3 | Very low | 52 | Low | 97 Ų | 97 | 143.5 Ų | 143.5 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | | | trans | -146.7 | 45.3 | 169.8 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 80 | E | 48.7 | Very low | 52.4 | Low | 198 Ų | 198 | 145.6 Ų | 145.6 | 93% | 0.925 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -90 | -7.7 | 165.6 | -70 | -157.7 | 138 | 0 | 0 | 113.3 | | |
| 81 | D | 50.8 | Low | 52.5 | Low | 140 Ų | 140 | 144.2 Ų | 144.2 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -112.9 | 24.6 | -174.9 | -160.6 | 41 | 0 | 0 | 0 | 114.7 | | |
| 82 | E | 55.6 | Low | 53.4 | Low | 149 Ų | 149 | 145.6 Ų | 145.6 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | | | trans | -114.1 | 52.7 | -179.9 | -160.8 | 121.8 | -155.1 | 0 | 0 | 112.6 | | |
| 83 | K | 55.6 | Low | 53.6 | Low | 171 Ų | 171 | 147.7 Ų | 147.7 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -133.3 | -1.6 | 170.2 | -69.7 | -78.3 | -176.4 | 166.6 | 0 | 115.2 | | |
| 84 | D | 56.1 | Low | 54.4 | Low | 143 Ų | 143 | 151.8 Ų | 151.8 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -96.2 | 2.9 | -179 | -97.2 | -67.5 | 0 | 0 | 0 | 114.9 | | |
| 85 | D | 52.7 | Low | 55 | Low | 95 Ų | 95 | 148 Ų | 148 | 51% | 0.508 | 75% | 0.75 | S | S | . | * | | | trans | -106.1 | 26.6 | -176.3 | -108.3 | -0.3 | 0 | 0 | 0 | 113.7 | K87 | D85-K87 WeakPolarHBondContact O-CG 3.32Å; D85-K87 PolarHBondContact O-N 3.26Å; D85-K87 WeakPolarHBondContact OD1-CE 3.1Å; D85-K87 IonicContact OD1-NZ 3.78Å; D85-K87 WeakPolarHBondContact OD2-CE 3.48Å; D85-K87 IonicContact OD2-NZ 2.67Å; D85-K87 PolarHBondContact OD2-NZ 3.48Å |
| 86 | H | 58.1 | Low | 55.8 | Low | 172 Ų | 172 | 145.6 Ų | 145.6 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | | | trans | -70.6 | 72.3 | 154.9 | -68 | -47.4 | 0 | 0 | 0 | 109.2 | | |
| 87 | K | 65.7 | Low | 56.7 | Low | 123 Ų | 123 | 145.7 Ų | 145.7 | 54% | 0.535 | 73% | 0.734 | S | S | . | * | | | trans | -49.5 | 148.1 | 177.4 | -71.4 | 160.3 | -176.4 | 158.7 | 0 | 110.2 | D85 | D85-K87 WeakPolarHBondContact O-CG 3.32Å; D85-K87 PolarHBondContact O-N 3.26Å; D85-K87 WeakPolarHBondContact OD1-CE 3.1Å; D85-K87 IonicContact OD1-NZ 3.78Å; D85-K87 WeakPolarHBondContact OD2-CE 3.48Å; D85-K87 IonicContact OD2-NZ 2.67Å; D85-K87 PolarHBondContact OD2-NZ 3.48Å |
| 88 | N | 61.7 | Low | 58.2 | Low | 137 Ų | 137 | 143.7 Ų | 143.7 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 66.7 | 84.6 | 160.1 | 50.1 | -87.8 | 0 | 0 | 0 | 118.2 | | |
| 89 | V | 57.5 | Low | 59.3 | Low | 143 Ų | 143 | 140.4 Ų | 140.4 | 87% | 0.867 | 71% | 0.714 | S | S | * | * | S | Bend | | 179.2 | -18.2 | 123.7 | 161.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 90 | R | 59.7 | Low | 60.8 | Low | 242 Ų | 242 | 138 Ų | 138 | 91% | 0.913 | 70% | 0.699 | S | S | * | * | | | trans | -107.9 | 23.4 | -169.5 | -152.5 | -176.1 | -177.4 | -162.2 | 1.5 | 115.7 | Q92 | R90-Q92 PolarHBondContact O-N 3.43Š|
| 91 | Q | 58.7 | Low | 62.2 | Low | 156 Ų | 156 | 131.3 Ų | 131.3 | 73% | 0.729 | 68% | 0.675 | S | S | * | * | | | trans | -86.3 | 9.2 | 176.2 | -69.3 | -176.9 | -5.8 | 0 | 0 | 113.4 | R93 | Q91-R93 PolarHBondContact O-N 3.49Š|
| 92 | Q | 64.1 | Low | 63.8 | Low | 161 Ų | 161 | 130.8 Ų | 130.8 | 75% | 0.752 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -81.2 | 90.6 | -179 | -156.5 | 168.2 | 14.8 | 0 | 0 | 110.5 | R90 | R90-Q92 PolarHBondContact O-N 3.43Š|
| 93 | R | 53.8 | Low | 65.1 | Low | 192 Ų | 192 | 130.6 Ų | 130.6 | 73% | 0.725 | 67% | 0.665 | S | S | * | * | | | trans | 93.3 | 87.8 | 165.8 | -51.9 | 169.1 | -167.9 | -92.3 | -0.9 | 116.3 | Q91 A95 | Q91-R93 PolarHBondContact O-N 3.49Å; R93-A95 PolarHBondContact O-N 3.5Å |
| 94 | Q | 64.4 | Low | 66.4 | Low | 163 Ų | 163 | 129.9 Ų | 129.9 | 76% | 0.762 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.7 | -18.4 | 168.2 | -67.4 | -172.7 | -16.5 | 0 | 0 | 114.3 | | |
| 95 | A | 59.7 | Low | 67.5 | Low | 91 Ų | 91 | 127.2 Ų | 127.2 | 75% | 0.752 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.7 | -34.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R93 | R93-A95 PolarHBondContact O-N 3.5Å |
| 96 | A | 59.2 | Low | 68.7 | Low | 66 Ų | 66 | 128.4 Ų | 128.4 | 55% | 0.545 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -82.1 | -26.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K98 A99 A100 | A96-K98 VanDerWaalsContact C-N 3.32Å; A96-K98 PolarHBondContact O-N 3.38Å; A96-A99 PolarHBondContact O-N 3.44Å; A96-A100 PolarHBondContact O-N 3.31Å |
| 97 | S | 63.5 | Low | 69.4 | Low | 77 Ų | 77 | 126 Ų | 126 | 54% | 0.538 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.3 | -37.5 | 179.9 | -164.4 | 0 | 0 | 0 | 0 | 112.2 | A99 A100 S101 | S97-A99 PolarHBondContact O-N 3.41Å; S97-A100 PolarHBondContact O-N 2.88Å; S97-S101 VanDerWaalsContact O-CB 3.32Å; S97-S101 WeakPolarHBondContact O-CB 3.49Å; S97-S101 PolarHBondContact O-N 3.01Å |
| 98 | K | 76.6 | Confident | 69.7 | Low | 164 Ų | 164 | 126 Ų | 126 | 71% | 0.713 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -63.7 | -39.2 | -178.8 | -70.9 | -176.9 | 174.7 | 175.5 | 0 | 113.3 | A96 S101 K102 | A96-K98 VanDerWaalsContact C-N 3.32Å; A96-K98 PolarHBondContact O-N 3.38Å; K98-S101 PolarHBondContact O-N 3.34Å; K98-K102 PolarHBondContact O-N 3.02Å |
| 99 | A | 75.1 | Confident | 69.9 | Low | 68 Ų | 68 | 125.6 Ų | 125.6 | 56% | 0.562 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.6 | -42.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A96 S97 S101 K102 Q103 | A96-A99 PolarHBondContact O-N 3.44Å; S97-A99 PolarHBondContact O-N 3.41Å; A99-S101 VanDerWaalsContact C-N 3.31Å; A99-S101 PolarHBondContact O-N 2.93Å; A99-K102 PolarHBondContact O-N 2.78Å; A99-Q103 PolarHBondContact O-N 3.36Å |
| 100 | A | 79.4 | Confident | 70.1 | Confident | 46 Ų | 46 | 125.7 Ų | 125.7 | 38% | 0.38 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -70 | -29.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A96 S97 R104 | A96-A100 PolarHBondContact O-N 3.31Å; S97-A100 PolarHBondContact O-N 2.88Å; A100-R104 PolarHBondContact O-N 3.47Å |
| 101 | S | 78.4 | Confident | 70.2 | Confident | 59 Ų | 59 | 120.4 Ų | 120.4 | 41% | 0.413 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68.4 | -43.6 | 173.1 | -159 | 0 | 0 | 0 | 0 | 111.2 | S97 K98 A99 Q103 R104 E105 | S97-S101 VanDerWaalsContact O-CB 3.32Å; S97-S101 WeakPolarHBondContact O-CB 3.49Å; S97-S101 PolarHBondContact O-N 3.01Å; K98-S101 PolarHBondContact O-N 3.34Å; A99-S101 VanDerWaalsContact C-N 3.31Å; A99-S101 PolarHBondContact O-N 2.93Å; S101-Q103 VanDerWaalsContact C-N 3.31Å; S101-Q103 PolarHBondContact O-N 3.3Å; S101-R104 CarbonylContact O-C 3.56Å; S101-R104 WeakPolarHBondContact O-CA 3.32Å; S101-R104 WeakPolarHBondContact O-CB 3.39Å; S101-R104 PolarHBondContact O-N 2.88Å; S101-E105 WeakPolarHBondContact O-CB 3.45Å; S101-E105 PolarHBondContact O-N 3.4Å |
| 102 | K | 83.4 | Confident | 70.1 | Confident | 129 Ų | 129 | 116.1 Ų | 116.1 | 56% | 0.561 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.9 | -33.1 | 179.7 | -165.4 | 167.3 | -173.7 | 67.4 | 0 | 113.4 | K98 A99 M106 | K98-K102 PolarHBondContact O-N 3.02Å; A99-K102 PolarHBondContact O-N 2.78Å; K102-M106 WeakPolarHBondContact O-CG 3.47Å; K102-M106 PolarHBondContact O-N 3.45Å |
| 103 | Q | 83.4 | Confident | 69.6 | Low | 144 Ų | 144 | 114 Ų | 114 | 67% | 0.673 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.4 | -34.8 | 170.9 | -70.9 | -159.5 | -47.9 | 0 | 0 | 113 | A99 S101 L107 | A99-Q103 PolarHBondContact O-N 3.36Å; S101-Q103 VanDerWaalsContact C-N 3.31Å; S101-Q103 PolarHBondContact O-N 3.3Å; Q103-L107 PolarHBondContact O-N 3.21Å |
| 104 | R | 83.3 | Confident | 69.2 | Low | 156 Ų | 156 | 113.5 Ų | 113.5 | 59% | 0.589 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.1 | -36.4 | 174.8 | -110.8 | -176.9 | -84 | 143 | -3 | 111.9 | A100 S101 L107 L108 | A100-R104 PolarHBondContact O-N 3.47Å; S101-R104 CarbonylContact O-C 3.56Å; S101-R104 WeakPolarHBondContact O-CA 3.32Å; S101-R104 WeakPolarHBondContact O-CB 3.39Å; S101-R104 PolarHBondContact O-N 2.88Å; R104-L107 PolarHBondContact O-N 2.85Å; R104-L108 WeakPolarHBondContact O-CD1 3.45Å; R104-L108 PolarHBondContact O-N 3.4Å |
| 105 | E | 79.9 | Confident | 68.3 | Low | 87 Ų | 87 | 114.1 Ų | 114.1 | 41% | 0.407 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -60.1 | -55.3 | 176 | -165.7 | -174.7 | 179.8 | 0 | 0 | 110.9 | S101 L107 L108 E109 | S101-E105 WeakPolarHBondContact O-CB 3.45Å; S101-E105 PolarHBondContact O-N 3.4Å; E105-L107 PolarHBondContact O-N 2.88Å; E105-L107 VanDerWaalsContact O-N 3.11Å; E105-L108 PolarHBondContact O-N 2.91Å; E105-E109 HydrophobicContact CG-CG 4.34Å; E105-E109 WeakPolarHBondContact O-CB 3.43Å; E105-E109 PolarHBondContact O-N 3.06Å |
| 106 | M | 77.9 | Confident | 67.4 | Low | 120 Ų | 120 | 118.3 Ų | 118.3 | 59% | 0.591 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -59.2 | -27.9 | 177.6 | -64 | -172.6 | -41 | 0 | 0 | 114.2 | K102 | K102-M106 WeakPolarHBondContact O-CG 3.47Å; K102-M106 PolarHBondContact O-N 3.45Å |
| 107 | L | 72.6 | Confident | 66.6 | Low | 122 Ų | 122 | 119.7 Ų | 119.7 | 64% | 0.639 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -76.4 | -31 | 177.9 | -175.5 | 69 | 0 | 0 | 0 | 112.3 | Q103 R104 E105 | Q103-L107 PolarHBondContact O-N 3.21Å; R104-L107 PolarHBondContact O-N 2.85Å; E105-L107 PolarHBondContact O-N 2.88Å; E105-L107 VanDerWaalsContact O-N 3.11Å |
| 108 | L | 71.1 | Confident | 65.8 | Low | 122 Ų | 122 | 124.9 Ų | 124.9 | 64% | 0.639 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -94.2 | -29.3 | -178.8 | -93.2 | 69.9 | 0 | 0 | 0 | 112.6 | R104 E105 D110 V111 | R104-L108 WeakPolarHBondContact O-CD1 3.45Å; R104-L108 PolarHBondContact O-N 3.4Å; E105-L108 PolarHBondContact O-N 2.91Å; L108-D110 PolarHBondContact O-N 3.15Å; L108-V111 PolarHBondContact O-N 3.01Å |
| 109 | E | 65.7 | Low | 64.2 | Low | 130 Ų | 130 | 126.2 Ų | 126.2 | 61% | 0.607 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -64.7 | -25.8 | 177 | -82.6 | 175.5 | 143.1 | 0 | 0 | 112.8 | E105 | E105-E109 HydrophobicContact CG-CG 4.34Å; E105-E109 WeakPolarHBondContact O-CB 3.43Å; E105-E109 PolarHBondContact O-N 3.06Å |
| 110 | D | 63.1 | Low | 62.7 | Low | 145 Ų | 145 | 130 Ų | 130 | 78% | 0.775 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -6.7 | 179.7 | -154.7 | 36.8 | 0 | 0 | 0 | 113.6 | L108 | L108-D110 PolarHBondContact O-N 3.15Š|
| 111 | V | 60.6 | Low | 60.9 | Low | 130 Ų | 130 | 135.2 Ų | 135.2 | 79% | 0.788 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 8.7 | 179.1 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | L108 | L108-V111 PolarHBondContact O-N 3.01Š|
| 112 | G | 56.8 | Low | 59.2 | Low | 67 Ų | 67 | 140.5 Ų | 140.5 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | | | trans | -116.7 | 25.3 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 113 | S | 54.9 | Low | 57.4 | Low | 115 Ų | 115 | 138.7 Ų | 138.7 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | | | trans | -112.6 | 90.7 | 166.4 | 79.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 114 | E | 45.5 | Very low | 56.2 | Low | 183 Ų | 183 | 137.7 Ų | 137.7 | 86% | 0.855 | 73% | 0.733 | S | S | * | * | | | trans | -143.5 | 104.8 | 140.2 | -157.1 | 169.6 | -159.3 | 0 | 0 | 108.1 | E116 | E114-E116 PolarHBondContact O-N 3.19Š|
| 115 | E | 44.8 | Very low | 54.2 | Low | 176 Ų | 176 | 139.8 Ų | 139.8 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | | | trans | -53.2 | 115.8 | 155.9 | 170.3 | -178.2 | -176.1 | 0 | 0 | 108.3 | | |
| 116 | E | 40.3 | Very low | 52.6 | Low | 178 Ų | 178 | 142.2 Ų | 142.2 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | | | trans | -111.3 | 119.3 | 152.2 | -97.6 | -137.2 | 146 | 0 | 0 | 108.6 | E114 | E114-E116 PolarHBondContact O-N 3.19Š|
| 117 | P | 42.5 | Very low | 51.4 | Low | 95 Ų | 95 | 144.3 Ų | 144.3 | 62% | 0.617 | 77% | 0.766 | S | S | * | * | | | trans | -72 | 153.7 | 163.1 | 31.5 | -30.5 | 0 | 0 | 0 | 110.2 | | |
| 118 | E | 46.4 | Very low | 50 | Low | 186 Ų | 186 | 146.3 Ų | 146.3 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | | | trans | -34.5 | 135.2 | 162.8 | -68.4 | 165.6 | 130.4 | 0 | 0 | 112.3 | | |
| 119 | E | 42.4 | Very low | 50.1 | Low | 193 Ų | 193 | 146.2 Ų | 146.2 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | | | trans | -155.6 | 127.7 | 137.3 | -107.9 | 162.4 | -141.7 | 0 | 0 | 111.7 | | |
| 120 | D | 43.4 | Very low | 49.6 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | -57.4 | 129.1 | 170.1 | -138.1 | -56.1 | 0 | 0 | 0 | 110.5 | | |
| 121 | D | 42.5 | Very low | 49.5 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | trans | -161.2 | 83.3 | 156.1 | -103.9 | -49 | 0 | 0 | 0 | 111.6 | | |
| 122 | E | 42 | Very low | 49.1 | Very low | 170 Ų | 170 | 142.9 Ų | 142.9 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | | 31.7 | 108.1 | 122.6 | -150.1 | 153 | -156.8 | 0 | 0 | 120.2 | | |
| 123 | A | 47.1 | Very low | 49.2 | Very low | 92 Ų | 92 | 147.2 Ų | 147.2 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | | | trans | 81 | 155.4 | 134.5 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 124 | P | 57.3 | Low | 49.5 | Very low | 123 Ų | 123 | 148 Ų | 148 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | | | trans | -99.6 | 152.3 | -146.6 | 38.5 | -33.7 | 0 | 0 | 0 | 114.5 | | |
| 125 | F | 40.7 | Very low | 50 | Low | 199 Ų | 199 | 149.1 Ų | 149.1 | 87% | 0.873 | 79% | 0.794 | S | S | * | * | | | trans | -128 | 139.9 | 168.7 | -149.3 | -97.9 | 0 | 0 | 0 | 114.2 | | |
| 126 | Q | 47.7 | Very low | 50.9 | Low | 139 Ų | 139 | 147.4 Ų | 147.4 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | | | trans | -66.3 | 148.1 | -170.4 | -79.2 | 162.6 | -113.1 | 0 | 0 | 115.5 | | |
| 127 | E | 51.4 | Low | 52.1 | Low | 163 Ų | 163 | 146.5 Ų | 146.5 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | | 48 | 101.2 | 125.8 | -157.3 | 178.3 | -169.9 | 0 | 0 | 118.2 | | |
| 128 | N | 44.8 | Very low | 52.8 | Low | 165 Ų | 165 | 150.1 Ų | 150.1 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | | | trans | -131.3 | 87.7 | 154.9 | 40.3 | 4 | 0 | 0 | 0 | 110 | | |
| 129 | S | 72 | Confident | 53.5 | Low | 119 Ų | 119 | 147.6 Ų | 147.6 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -63.4 | 139.5 | 158.5 | -167.9 | 0 | 0 | 0 | 0 | 111 | | |
| 130 | G | 55.6 | Low | 54.1 | Low | 67 Ų | 67 | 145.3 Ų | 145.3 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | trans | 154.2 | 82.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 131 | S | 60.9 | Low | 55.2 | Low | 109 Ų | 109 | 144.4 Ų | 144.4 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | | 50.5 | 87.4 | 79.6 | -175 | 0 | 0 | 0 | 0 | 112.9 | | |
| 132 | D | 52 | Low | 55.9 | Low | 159 Ų | 159 | 143.4 Ų | 143.4 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | | | trans | -140.6 | 86.7 | 154 | -160 | 36.5 | 0 | 0 | 0 | 108 | | |
| 133 | E | 58.4 | Low | 56.8 | Low | 158 Ų | 158 | 139.4 Ų | 139.4 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | trans | -57.3 | 131.8 | 156 | -55.7 | 174.9 | 159.8 | 0 | 0 | 106.7 | | |
| 134 | D | 62.3 | Low | 57.4 | Low | 132 Ų | 132 | 142.4 Ų | 142.4 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | trans | 154.9 | 10.3 | 153.6 | -76.1 | -19.7 | 0 | 0 | 0 | 117.4 | L136 | D134-L136 PolarHBondContact O-N 3.11Š|
| 135 | F | 56.2 | Low | 57.4 | Low | 207 Ų | 207 | 147.4 Ų | 147.4 | 91% | 0.908 | 77% | 0.77 | S | S | * | * | | | trans | -84.1 | 57.2 | 163.2 | -106.9 | -91.1 | 0 | 0 | 0 | 112.4 | M137 | F135-M137 VanDerWaalsContact C-N 3.32Å; F135-M137 PolarHBondContact O-N 3.38Å |
| 136 | L | 62 | Low | 58.3 | Low | 139 Ų | 139 | 140.7 Ų | 140.7 | 73% | 0.728 | 76% | 0.758 | S | S | * | * | | | trans | -61.8 | 95.8 | 153.5 | -71.4 | 170.6 | 0 | 0 | 0 | 107.9 | D134 | D134-L136 PolarHBondContact O-N 3.11Š|
| 137 | M | 67 | Low | 58.7 | Low | 160 Ų | 160 | 139.6 Ų | 139.6 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | | | trans | -121 | 67.4 | 151.7 | -162.5 | 166.2 | -171.9 | 0 | 0 | 107.7 | F135 D139 | F135-M137 VanDerWaalsContact C-N 3.32Å; F135-M137 PolarHBondContact O-N 3.38Å; M137-D139 PolarHBondContact O-N 2.83Å |
| 138 | E | 57.7 | Low | 59 | Low | 170 Ų | 170 | 137.1 Ų | 137.1 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | | | trans | -58.9 | 112.5 | 140.3 | -109.7 | 119.8 | 179.6 | 0 | 0 | 106.8 | | |
| 139 | D | 59.8 | Low | 59.5 | Low | 133 Ų | 133 | 138.7 Ų | 138.7 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | trans | 153.1 | 86.2 | 130.9 | -157.1 | 24.6 | 0 | 0 | 0 | 108.5 | M137 | M137-D139 PolarHBondContact O-N 2.83Š|
| 140 | D | 54.4 | Low | 59.2 | Low | 146 Ų | 146 | 142.7 Ų | 142.7 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | | | trans | -145 | 75.3 | 148.8 | -148 | 16.6 | 0 | 0 | 0 | 108.8 | D142 | D140-D142 PolarHBondContact O-N 2.83Š|
| 141 | D | 67.4 | Low | 59.3 | Low | 128 Ų | 128 | 149.5 Ų | 149.5 | 68% | 0.684 | 78% | 0.778 | S | S | * | * | | | trans | -50.6 | 90.4 | 160 | 176.7 | 26.9 | 0 | 0 | 0 | 111.3 | | |
| 142 | D | 57.5 | Low | 59.2 | Low | 133 Ų | 133 | 152.4 Ų | 152.4 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | -131.5 | 66.2 | 164.4 | -98.2 | -19.5 | 0 | 0 | 0 | 111.6 | D140 D144 | D140-D142 PolarHBondContact O-N 2.83Å; D142-D144 PolarHBondContact O-N 2.77Å; D142-D144 VanDerWaalsContact O-N 3.08Å |
| 143 | S | 60.3 | Low | 59.9 | Low | 86 Ų | 86 | 154.1 Ų | 154.1 | 60% | 0.601 | 79% | 0.785 | S | S | * | * | | | trans | 18.8 | 76.1 | 135.5 | 66 | 0 | 0 | 0 | 0 | 119.3 | Y145 | S143-Y145 PolarHBondContact O-N 2.76Š|
| 144 | D | 59.2 | Low | 60.1 | Low | 156 Ų | 156 | 155.7 Ų | 155.7 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | | | trans | -77.7 | 23.4 | 159.8 | -129.1 | -9.3 | 0 | 0 | 0 | 112.6 | D142 G146 | D142-D144 PolarHBondContact O-N 2.77Å; D142-D144 VanDerWaalsContact O-N 3.08Å; D144-G146 PolarHBondContact O-N 2.92Å; D144-G146 VanDerWaalsContact O-N 3.17Å |
| 145 | Y | 58.9 | Low | 60 | Low | 227 Ų | 227 | 157.9 Ų | 157.9 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | | | trans | -83.3 | 81.8 | 176.2 | -164.7 | -91.6 | 0 | 0 | 0 | 110.2 | S143 | S143-Y145 PolarHBondContact O-N 2.76Š|
| 146 | G | 59.1 | Low | 60 | Low | 59 Ų | 59 | 154.1 Ų | 154.1 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | | | trans | 135 | 17.1 | 146.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | D144 S148 | D144-G146 PolarHBondContact O-N 2.92Å; D144-G146 VanDerWaalsContact O-N 3.17Å; G146-S148 VanDerWaalsContact C-N 3.26Å; G146-S148 PolarHBondContact O-N 3.28Å; G146-S148 VanDerWaalsContact O-N 3.15Å |
| 147 | S | 55.2 | Low | 60 | Low | 116 Ų | 116 | 156.4 Ų | 156.4 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | | | trans | -85.9 | 33.4 | 177.4 | 75.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 148 | S | 57.4 | Low | 59.3 | Low | 110 Ų | 110 | 158.9 Ų | 158.9 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -108.1 | 49.9 | 174.7 | 68.8 | 0 | 0 | 0 | 0 | 114.2 | G146 | G146-S148 VanDerWaalsContact C-N 3.26Å; G146-S148 PolarHBondContact O-N 3.28Å; G146-S148 VanDerWaalsContact O-N 3.15Å |
| 149 | K | 55.8 | Low | 59.3 | Low | 199 Ų | 199 | 156 Ų | 156 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | | | trans | -123 | 94.1 | 162.8 | -70.2 | -167 | -177.7 | 173 | 0 | 112.2 | | |
| 150 | K | 65.8 | Low | 59.1 | Low | 203 Ų | 203 | 159.1 Ų | 159.1 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | trans | -0.4 | 123.6 | 151.8 | -59.7 | 171.1 | -177.3 | 171.4 | 0 | 115.2 | | |
| 151 | K | 58.1 | Low | 58.9 | Low | 210 Ų | 210 | 157.9 Ų | 157.9 | 91% | 0.913 | 81% | 0.807 | S | S | * | * | | | trans | -170.8 | 115.2 | 135.3 | -100.5 | 159.2 | -168.2 | -174.4 | 0 | 110.9 | K153 | K151-K153 PolarHBondContact O-N 3.35Š|
| 152 | N | 59.6 | Low | 58.4 | Low | 169 Ų | 169 | 158.6 Ų | 158.6 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | | | trans | -60.8 | 113 | 176.2 | -61.2 | -42.9 | 0 | 0 | 0 | 111.1 | | |
| 153 | K | 65.3 | Low | 58.2 | Low | 196 Ų | 196 | 163.3 Ų | 163.3 | 85% | 0.852 | 81% | 0.814 | S | S | * | * | | | trans | -95.2 | 95.7 | 169.4 | -160.8 | 166.6 | -175.9 | 171.9 | 0 | 109.2 | K151 M155 | K151-K153 PolarHBondContact O-N 3.35Å; K153-M155 PolarHBondContact O-N 3.25Å; K153-M155 VanDerWaalsContact O-N 3.15Å |
| 154 | K | 63.7 | Low | 58.2 | Low | 191 Ų | 191 | 166.4 Ų | 166.4 | 83% | 0.83 | 82% | 0.817 | S | S | * | * | | | trans | -62.9 | 109.6 | 168.3 | -76 | -179.1 | 177.3 | 176.3 | 0 | 108.6 | V156 | K154-V156 PolarHBondContact O-N 3.08Š|
| 155 | M | 60.1 | Low | 58.3 | Low | 178 Ų | 178 | 167.9 Ų | 167.9 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | | | trans | -83.4 | 105.9 | 162.2 | -65.1 | -152.2 | -63.7 | 0 | 0 | 108.6 | K153 | K153-M155 PolarHBondContact O-N 3.25Å; K153-M155 VanDerWaalsContact O-N 3.15Å |
| 156 | V | 56.3 | Low | 58.6 | Low | 128 Ų | 128 | 166 Ų | 166 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | | | trans | -68.7 | 133.8 | 176.7 | 172 | 0 | 0 | 0 | 0 | 109.8 | K154 | K154-V156 PolarHBondContact O-N 3.08Š|
| 157 | K | 60.8 | Low | 58.8 | Low | 186 Ų | 186 | 172.9 Ų | 172.9 | 81% | 0.809 | 83% | 0.828 | S | S | * | * | | | trans | -26.7 | 132 | 167.5 | -59.1 | 169 | 178.8 | 176 | 0 | 114.8 | | |
| 158 | K | 53.8 | Low | 59.3 | Low | 212 Ų | 212 | 175.8 Ų | 175.8 | 92% | 0.922 | 83% | 0.831 | S | S | * | * | | | trans | -134 | 88 | 138.9 | -74.8 | -163.6 | 177.7 | 176.5 | 0 | 109.5 | | |
| 159 | S | 57.4 | Low | 59.7 | Low | 110 Ų | 110 | 176.3 Ų | 176.3 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 128.2 | 159.3 | 46.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 160 | K | 54.9 | Low | 60.6 | Low | 199 Ų | 199 | 175.7 Ų | 175.7 | 87% | 0.865 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 141.6 | 154.9 | -88.2 | -175.9 | 177.2 | 173.1 | 0 | 108.9 | E162 | K160-E162 PolarHBondContact O-N 2.91Š|
| 161 | P | 50.9 | Low | 60.9 | Low | 119 Ų | 119 | 171.9 Ų | 171.9 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 132.6 | -169.8 | 27.9 | -33.3 | 0 | 0 | 0 | 111.7 | R163 | P161-R163 PolarHBondContact O-N 2.81Å; P161-R163 VanDerWaalsContact O-N 3.15Å |
| 162 | E | 56 | Low | 61.4 | Low | 144 Ų | 144 | 172.7 Ų | 172.7 | 67% | 0.673 | 82% | 0.822 | S | S | * | * | | | trans | -21.2 | 101.9 | 156.1 | -160.6 | -178.7 | -166.8 | 0 | 0 | 113.3 | K160 K164 | K160-E162 PolarHBondContact O-N 2.91Å; E162-K164 VanDerWaalsContact CD-CE 3.48Å; E162-K164 HydrophobicContact CG-CD 4.24Å; E162-K164 HydrophobicContact CG-CG 4.26Å; E162-K164 PolarHBondContact O-N 2.97Å; E162-K164 WeakPolarHBondContact OE1-CD 3.18Å; E162-K164 WeakPolarHBondContact OE1-CE 3.07Å; E162-K164 IonicContact OE1-NZ 2.76Å; E162-K164 PolarHBondContact OE1-NZ 3.26Å; E162-K164 IonicContact OE2-NZ 3.83Å |
| 163 | R | 53.5 | Low | 61.8 | Low | 232 Ų | 232 | 172.9 Ų | 172.9 | 88% | 0.875 | 82% | 0.823 | S | S | * | * | | | trans | -82 | 97.3 | 154.3 | -78.3 | -175.3 | 175.4 | 163.1 | -1.5 | 106.2 | P161 E165 | P161-R163 PolarHBondContact O-N 2.81Å; P161-R163 VanDerWaalsContact O-N 3.15Å; R163-E165 PolarHBondContact O-N 3.46Å |
| 164 | K | 59.6 | Low | 61.8 | Low | 151 Ų | 151 | 172.9 Ų | 172.9 | 66% | 0.657 | 82% | 0.823 | S | S | * | * | | | trans | -54.7 | 90.6 | 161.2 | -64 | -80 | -165 | -163.5 | 0 | 107 | E162 K166 | E162-K164 VanDerWaalsContact CD-CE 3.48Å; E162-K164 HydrophobicContact CG-CD 4.24Å; E162-K164 HydrophobicContact CG-CG 4.26Å; E162-K164 PolarHBondContact O-N 2.97Å; E162-K164 WeakPolarHBondContact OE1-CD 3.18Å; E162-K164 WeakPolarHBondContact OE1-CE 3.07Å; E162-K164 IonicContact OE1-NZ 2.76Å; E162-K164 PolarHBondContact OE1-NZ 3.26Å; E162-K164 IonicContact OE2-NZ 3.83Å; K164-K166 PolarHBondContact O-N 3.46Å |
| 165 | E | 63.2 | Low | 61.5 | Low | 186 Ų | 186 | 167.6 Ų | 167.6 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | | | trans | -65.3 | 94.8 | 163.5 | -74.6 | -175.2 | 168.3 | 0 | 0 | 106 | R163 K167 | R163-E165 PolarHBondContact O-N 3.46Å; E165-K167 PolarHBondContact O-N 3.28Å; E165-K167 VanDerWaalsContact O-N 3.16Å |
| 166 | K | 64.1 | Low | 61.4 | Low | 188 Ų | 188 | 165 Ų | 165 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | | | trans | -52.9 | 124.1 | 172.7 | -66.2 | 179.5 | 180 | 176.8 | 0 | 106 | K164 M168 | K164-K166 PolarHBondContact O-N 3.46Å; K166-M168 PolarHBondContact O-N 2.9Å |
| 167 | K | 63.6 | Low | 61.1 | Low | 204 Ų | 204 | 165.1 Ų | 165.1 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | | | trans | -35.4 | 116.2 | 175.8 | -66.5 | -163.6 | 176 | -173.9 | 0 | 109.3 | E165 | E165-K167 PolarHBondContact O-N 3.28Å; E165-K167 VanDerWaalsContact O-N 3.16Å |
| 168 | M | 65.1 | Low | 61 | Low | 176 Ų | 176 | 161.5 Ų | 161.5 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | | | trans | -51.8 | 134.3 | -178.7 | -71.4 | -167.4 | 147.2 | 0 | 0 | 109.5 | K166 K170 | K166-M168 PolarHBondContact O-N 2.9Å; M168-K170 PolarHBondContact O-N 3.15Å |
| 169 | P | 66.8 | Low | 61.6 | Low | 122 Ų | 122 | 157 Ų | 157 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | | | trans | -61.3 | 129.2 | 177.8 | -9.6 | 20.9 | 0 | 0 | 0 | 108.4 | | |
| 170 | K | 73.3 | Confident | 61.4 | Low | 186 Ų | 186 | 156.2 Ų | 156.2 | 81% | 0.809 | 79% | 0.79 | S | S | * | * | | | trans | -44.5 | 131.6 | 177 | -64.3 | 171.8 | -179.2 | 174.5 | 0 | 109.7 | M168 R172 | M168-K170 PolarHBondContact O-N 3.15Å; K170-R172 PolarHBondContact O-N 3.01Å |
| 171 | P | 72.5 | Confident | 61.6 | Low | 122 Ų | 122 | 152.5 Ų | 152.5 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | | | trans | -60.1 | 116.6 | 173 | 25.2 | -32.1 | 0 | 0 | 0 | 108.1 | L173 | P171-L173 PolarHBondContact O-N 3.39Å; P171-L173 VanDerWaalsContact O-N 3.16Å |
| 172 | R | 68.9 | Low | 61.6 | Low | 227 Ų | 227 | 153.4 Ų | 153.4 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | | | trans | -74.1 | 105.5 | 174 | -66.8 | 177.4 | 68.5 | 132.8 | -0.6 | 106.6 | K170 K174 | K170-R172 PolarHBondContact O-N 3.01Å; R172-K174 PolarHBondContact O-N 3.04Å |
| 173 | L | 67.1 | Low | 61.7 | Low | 173 Ų | 173 | 156.5 Ų | 156.5 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | | | trans | -54.2 | 110.7 | 163.4 | -64.5 | 172.9 | 0 | 0 | 0 | 106.9 | P171 | P171-L173 PolarHBondContact O-N 3.39Å; P171-L173 VanDerWaalsContact O-N 3.16Å |
| 174 | K | 65.9 | Low | 61.7 | Low | 196 Ų | 196 | 148.8 Ų | 148.8 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | | | trans | -91.7 | 139.1 | 174.4 | 7.2 | -172.3 | 177.3 | 177.6 | 0 | 107.2 | R172 | R172-K174 PolarHBondContact O-N 3.04Š|
| 175 | A | 57.4 | Low | 61.2 | Low | 81 Ų | 81 | 151.4 Ų | 151.4 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | | | trans | 77.7 | 81.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116 | V177 | A175-V177 PolarHBondContact O-N 3.08Å; A175-V177 VanDerWaalsContact O-N 3.12Å |
| 176 | T | 57.5 | Low | 60.1 | Low | 123 Ų | 123 | 146.8 Ų | 146.8 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | | -5.8 | 97.3 | 117.3 | -46.6 | 0 | 0 | 0 | 0 | 113.8 | T178 | T176-T178 HydrophobicContact CG2-CG2 3.74Š|
| 177 | V | 49.9 | Very low | 59.2 | Low | 131 Ų | 131 | 147.1 Ų | 147.1 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | | | trans | -104.3 | 84.3 | 155.3 | -179.6 | 0 | 0 | 0 | 0 | 106 | A175 P179 | A175-V177 PolarHBondContact O-N 3.08Å; A175-V177 VanDerWaalsContact O-N 3.12Å; V177-P179 WeakPolarHBondContact O-CD 3.44Å |
| 178 | T | 60.4 | Low | 58.3 | Low | 109 Ų | 109 | 144.6 Ų | 144.6 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | | | trans | -72.7 | 111.4 | 160.6 | 43.5 | 0 | 0 | 0 | 0 | 107 | T176 S180 | T176-T178 HydrophobicContact CG2-CG2 3.74Å; T178-S180 PolarHBondContact O-N 3.17Å |
| 179 | P | 66.2 | Low | 57 | Low | 118 Ų | 118 | 139.7 Ų | 139.7 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | | | trans | -64.6 | 113.1 | 162.8 | 27 | -31 | 0 | 0 | 0 | 107.2 | V177 | V177-P179 WeakPolarHBondContact O-CD 3.44Š|
| 180 | S | 52.3 | Low | 55.7 | Low | 93 Ų | 93 | 144.9 Ų | 144.9 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | | | trans | -51.8 | 141.1 | 168.8 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | T178 V182 | T178-S180 PolarHBondContact O-N 3.17Å; S180-V182 PolarHBondContact O-N 3.34Å |
| 181 | P | 58.8 | Low | 54.5 | Low | 121 Ų | 121 | 141.6 Ų | 141.6 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | | | trans | -68.7 | 102.5 | 178.7 | 28.3 | -31.4 | 0 | 0 | 0 | 108.6 | K183 | P181-K183 PolarHBondContact O-N 2.99Š|
| 182 | V | 52 | Low | 53.1 | Low | 139 Ų | 139 | 141.8 Ų | 141.8 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | | | trans | -65 | 122.1 | 172.6 | -72.1 | 0 | 0 | 0 | 0 | 109.1 | S180 G184 | S180-V182 PolarHBondContact O-N 3.34Å; V182-G184 VanDerWaalsContact C-N 3.28Å; V182-G184 PolarHBondContact O-N 3.04Å |
| 183 | K | 57.3 | Low | 51.7 | Low | 208 Ų | 208 | 135 Ų | 135 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | | | trans | -68.6 | 81.8 | 176.6 | -161.1 | 165.2 | -174.1 | 171 | 0 | 108.6 | P181 | P181-K183 PolarHBondContact O-N 2.99Š|
| 184 | G | 54.1 | Low | 50.8 | Low | 71 Ų | 71 | 132.1 Ų | 132.1 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | | | trans | -100.6 | 114.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V182 | V182-G184 VanDerWaalsContact C-N 3.28Å; V182-G184 PolarHBondContact O-N 3.04Å |
| 185 | K | 49.1 | Very low | 49.8 | Very low | 206 Ų | 206 | 132.5 Ų | 132.5 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | | | trans | -68.5 | 143.5 | 172.7 | -68.1 | -176.4 | 172.1 | 178.6 | 0 | 110.4 | | |
| 186 | A | 39.5 | Very low | 49 | Very low | 88 Ų | 88 | 138.2 Ų | 138.2 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | 71.3 | 140 | 158.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 187 | K | 46.2 | Very low | 48.2 | Very low | 195 Ų | 195 | 137.2 Ų | 137.2 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | cis | -169.7 | 138.9 | 2.2 | -114.5 | 175.7 | -174.9 | -174.7 | 0 | 106.7 | | |
| 188 | V | 43.1 | Very low | 47.8 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 92% | 0.915 | 79% | 0.793 | S | S | * | * | | | trans | 69.9 | 122.2 | 158.2 | -166.8 | 0 | 0 | 0 | 0 | 117 | | |
| 189 | G | 38.9 | Very low | 46.6 | Very low | 74 Ų | 74 | 140.2 Ų | 140.2 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | | | cis | -178.5 | 134.3 | 1.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 190 | R | 38.8 | Very low | 45.5 | Very low | 230 Ų | 230 | 143.2 Ų | 143.2 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | | | trans | -119.4 | 127.9 | 165.9 | -173.3 | 174.9 | 173.6 | 174.1 | -1.8 | 106.7 | | |
| 191 | P | 48.9 | Very low | 44.8 | Very low | 117 Ų | 117 | 145 Ų | 145 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | | | trans | -83.3 | 122.6 | -175.3 | 31.9 | -29.7 | 0 | 0 | 0 | 108.9 | | |
| 192 | T | 41.8 | Very low | 44.2 | Very low | 126 Ų | 126 | 145 Ų | 145 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | -162.2 | 118.9 | 156.8 | 40.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 193 | A | 40.5 | Very low | 43.5 | Very low | 84 Ų | 84 | 143.5 Ų | 143.5 | 69% | 0.694 | 79% | 0.792 | S | S | * | * | | | trans | 64.8 | 86.3 | 149.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 194 | S | 47.6 | Very low | 42.9 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | | 28.2 | 101.5 | 124.2 | 45 | 0 | 0 | 0 | 0 | 118.9 | | |
| 195 | K | 45.9 | Very low | 42.2 | Very low | 204 Ų | 204 | 145.3 Ų | 145.3 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | | | trans | -146 | 113.1 | 146.6 | -69.1 | -167 | 179.7 | 169.3 | 0 | 112.9 | | |
| 196 | K | 41 | Very low | 42 | Very low | 200 Ų | 200 | 144.3 Ų | 144.3 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | | | trans | 42.5 | 115.8 | 142.2 | -79.3 | -179.4 | 177.2 | 179.6 | 0 | 121.2 | | |
| 197 | S | 40.3 | Very low | 42 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | | | | 79.8 | 129.4 | 119.8 | 69.1 | 0 | 0 | 0 | 0 | 121.8 | | |
| 198 | K | 40.2 | Very low | 41.7 | Very low | 182 Ų | 182 | 145.7 Ų | 145.7 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | 67.1 | 144.6 | 142.2 | -92.9 | -172.9 | 173.5 | -135.5 | 0 | 116.6 | | |
| 199 | E | 35.9 | Very low | 42 | Very low | 122 Ų | 122 | 146.6 Ų | 146.6 | 57% | 0.57 | 78% | 0.783 | S | S | * | * | | | cis | -173.8 | 144.1 | -0.9 | -146.8 | -179.3 | 119.9 | 0 | 0 | 104.3 | | |
| 200 | K | 43.3 | Very low | 42.1 | Very low | 181 Ų | 181 | 151.9 Ų | 151.9 | 79% | 0.787 | 79% | 0.788 | S | S | * | * | | | trans | 70.5 | 126.8 | 157.4 | -50.4 | -147 | 177.8 | 179.7 | 0 | 121.5 | | |
| 201 | T | 38 | Very low | 42.1 | Very low | 131 Ų | 131 | 144.6 Ų | 144.6 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -55.4 | 160.6 | 153.4 | 48 | 0 | 0 | 0 | 0 | 111.5 | | |
| 202 | P | 44.9 | Very low | 41.5 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | | | | -146.1 | 168.1 | 61 | 35.9 | -13.3 | 0 | 0 | 0 | 117.7 | | |
| 203 | S | 37.4 | Very low | 41.6 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | -66.2 | 163.2 | 165.9 | 40.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 204 | P | 45.4 | Very low | 42.8 | Very low | 119 Ų | 119 | 149 Ų | 149 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | | -142.6 | 138.7 | 100.2 | 27.2 | -6.5 | 0 | 0 | 0 | 113.2 | | |
| 205 | K | 39.6 | Very low | 42.8 | Very low | 199 Ų | 199 | 148.9 Ų | 148.9 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | | | | 55.7 | 113.9 | 91.4 | -80.4 | -167 | 177.4 | -173.7 | 0 | 116.1 | | |
| 206 | E | 44.8 | Very low | 42.6 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | | -152.5 | 115.4 | 129.1 | -69.4 | -165.1 | 155.1 | 0 | 0 | 105.1 | | |
| 207 | E | 40.5 | Very low | 42.8 | Very low | 185 Ų | 185 | 146 Ų | 146 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | | 62.3 | 137 | 86.7 | -90.6 | -175.4 | -176.4 | 0 | 0 | 111.7 | | |
| 208 | D | 38.6 | Very low | 43.1 | Very low | 127 Ų | 127 | 150.6 Ų | 150.6 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | | | cis | 176.6 | 127.4 | 10.4 | -173 | 43.9 | 0 | 0 | 0 | 103.3 | | |
| 209 | E | 49.6 | Very low | 43.4 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | | 171 | 120.9 | 101.5 | -82.5 | -167.6 | 140.4 | 0 | 0 | 104.5 | | |
| 210 | E | 40.4 | Very low | 43.5 | Very low | 186 Ų | 186 | 145.5 Ų | 145.5 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | | | | 39.9 | 132.1 | 86.5 | -101.8 | -173.9 | 142.5 | 0 | 0 | 114 | | |
| 211 | A | 39.6 | Very low | 43.9 | Very low | 77 Ų | 77 | 144.9 Ų | 144.9 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | | | cis | -163.2 | 147.4 | 5.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 212 | E | 37 | Very low | 44.2 | Very low | 196 Ų | 196 | 147.6 Ų | 147.6 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | | | | 104.8 | 142.3 | 113.2 | -157.4 | 170.3 | -159.7 | 0 | 0 | 114 | | |
| 213 | S | 42.4 | Very low | 44.2 | Very low | 112 Ų | 112 | 144.9 Ų | 144.9 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | trans | -101.3 | 178.4 | -165 | -133.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 214 | P | 66.4 | Low | 44.7 | Very low | 110 Ų | 110 | 144.6 Ų | 144.6 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | | | trans | -86.9 | 177.8 | -149.6 | 39.7 | -41.6 | 0 | 0 | 0 | 115.3 | | |
| 215 | P | 48.4 | Very low | 44.7 | Very low | 112 Ų | 112 | 147.3 Ų | 147.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | | -156.6 | 159.7 | 103.8 | 34.8 | -13.3 | 0 | 0 | 0 | 119.6 | | |
| 216 | E | 40.8 | Very low | 45.1 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | 55.9 | 135.5 | 141.9 | -65.1 | -175.4 | 159.2 | 0 | 0 | 124.6 | | |
| 217 | K | 46 | Very low | 45.4 | Very low | 176 Ų | 176 | 143.5 Ų | 143.5 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | | | | 152.3 | 114.5 | 116.1 | -77.9 | -166.3 | -172.7 | 177.4 | 0 | 111.7 | | |
| 218 | K | 45.4 | Very low | 45.7 | Very low | 198 Ų | 198 | 138.5 Ų | 138.5 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | | | | 81 | 113.2 | 92.9 | -74.1 | -148.4 | 179 | -168 | 0 | 116 | | |
| 219 | S | 46.7 | Very low | 46.3 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | | | trans | 160.1 | 118.8 | 132.7 | 55.6 | 0 | 0 | 0 | 0 | 106.9 | | |
| 220 | G | 37.4 | Very low | 46.6 | Very low | 76 Ų | 76 | 135.4 Ų | 135.4 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | | | cis | 86.1 | 80.4 | 41.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 221 | D | 51.6 | Low | 47.3 | Very low | 167 Ų | 167 | 129.7 Ų | 129.7 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | | | trans | -135.8 | 111.6 | 163 | -168.4 | 53.9 | 0 | 0 | 0 | 107.3 | | |
| 222 | E | 46.1 | Very low | 48 | Very low | 189 Ų | 189 | 135.6 Ų | 135.6 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | | | trans | -100.8 | 151.3 | 178.7 | -56.7 | -165.6 | 172 | 0 | 0 | 108.3 | | |
| 223 | G | 43 | Very low | 49 | Very low | 63 Ų | 63 | 137.9 Ų | 137.9 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | | | trans | 146.4 | 94.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 224 | S | 49.2 | Very low | 49.4 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | | | | 71.6 | 98.6 | 86.2 | 73.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 225 | E | 45.6 | Very low | 48.5 | Very low | 176 Ų | 176 | 140.7 Ų | 140.7 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | | | | 83.1 | 143.6 | 89 | -78.9 | 178.5 | 176.7 | 0 | 0 | 112.6 | | |
| 226 | D | 48 | Very low | 48.5 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 77% | 0.765 | 82% | 0.818 | S | S | * | * | | | trans | 72.4 | 142.9 | 161.3 | -82.1 | -116.7 | 0 | 0 | 0 | 118.5 | | |
| 227 | E | 49.9 | Very low | 48.9 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | | | cis | 173.1 | 159.4 | -15.3 | -117.9 | -81.3 | 164.4 | 0 | 0 | 103.3 | | |
| 228 | A | 48.2 | Very low | 49.1 | Very low | 80 Ų | 80 | 138.6 Ų | 138.6 | 66% | 0.661 | 82% | 0.823 | S | S | * | * | | | trans | 56.8 | 121.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 229 | S | 50.1 | Low | 49.3 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | | | | 114.5 | 155.6 | 62.1 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 230 | S | 57.5 | Low | 49.5 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | | | trans | 80 | 131.5 | 178.5 | 77.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 231 | G | 54.3 | Low | 50.5 | Low | 66 Ų | 66 | 140.1 Ų | 140.1 | 68% | 0.68 | 82% | 0.821 | S | S | * | * | | | cis | 138.3 | 126.5 | 15.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 232 | E | 54.6 | Low | 50.4 | Low | 201 Ų | 201 | 137.8 Ų | 137.8 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | | | trans | 44.3 | 119.1 | 154.2 | -63 | 177 | 113.6 | 0 | 0 | 120.1 | | |
| 233 | D | 58.1 | Low | 50.8 | Low | 243 Ų | 243 | 133.2 Ų | 133.2 | 100% | 1.299 | 81% | 0.808 | S | S | * | * | | | | -154.7 | 0 | 116.5 | -151.8 | -113.2 | 0 | 0 | 0 | 109.8 | | |