| 1 | M | 43.5 | Very low | 45 | Very low | 246 Ų | 246 | 155.2 Ų | 155.2 | 100% | 1.212 | 86% | 0.856 | S | S | * | * | | | | 0 | 115.5 | 0 | -75.4 | 163.1 | 128.9 | 0 | 0 | 107.4 | | |
| 2 | R | 35.3 | Very low | 45.9 | Very low | 239 Ų | 239 | 152.7 Ų | 152.7 | 90% | 0.902 | 85% | 0.849 | S | S | * | * | | | trans | -95.1 | 120.1 | -176.8 | -75.1 | 175.2 | 171 | 166.4 | -3.7 | 107.9 | V4 | R2-V4 HydrophobicContact CB-CG2 4.08Š|
| 3 | T | 42.9 | Very low | 46.2 | Very low | 151 Ų | 151 | 152.3 Ų | 152.3 | 93% | 0.926 | 84% | 0.844 | S | S | * | * | | | trans | -92.6 | 115.7 | 166.9 | -41.5 | 0 | 0 | 0 | 0 | 106.9 | | |
| 4 | V | 44.9 | Very low | 46.7 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 71% | 0.709 | 83% | 0.832 | S | S | * | * | | | trans | -120.9 | 133.8 | -175.3 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | R2 | R2-V4 HydrophobicContact CB-CG2 4.08Š|
| 5 | A | 42.4 | Very low | 47.6 | Very low | 79 Ų | 79 | 142.9 Ų | 142.9 | 65% | 0.653 | 82% | 0.822 | S | S | * | * | | | trans | 65.7 | 105.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 6 | S | 42.3 | Very low | 47.8 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | | | | 73.9 | 89.6 | 90.1 | 82.6 | 0 | 0 | 0 | 0 | 112.2 | G8 | S6-G8 PolarHBondContact O-N 3.37Š|
| 7 | A | 49.5 | Very low | 48.2 | Very low | 105 Ų | 105 | 143 Ų | 143 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 119 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 8 | G | 49.3 | Very low | 48.3 | Very low | 73 Ų | 73 | 142.2 Ų | 142.2 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -65 | 146.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | S6 | S6-G8 PolarHBondContact O-N 3.37Š|
| 9 | W | 44.5 | Very low | 48.4 | Very low | 235 Ų | 235 | 140 Ų | 140 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 144 | 166.6 | -58.3 | 83.9 | 0 | 0 | 0 | 109.9 | | |
| 10 | H | 50.6 | Low | 48.7 | Very low | 183 Ų | 183 | 139.3 Ų | 139.3 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | | | trans | -161.9 | 101 | 132.7 | -93.9 | -64.9 | 0 | 0 | 0 | 109.4 | T12 | H10-T12 PolarHBondContact O-N 3.43Š|
| 11 | L | 49.6 | Very low | 48.8 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | | | trans | -62.2 | 120.5 | 159.6 | -173.1 | 72 | 0 | 0 | 0 | 107.4 | | |
| 12 | T | 55.6 | Low | 49.2 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | | | trans | -129.5 | 106.8 | 161 | -11 | 0 | 0 | 0 | 0 | 108.2 | H10 A14 | H10-T12 PolarHBondContact O-N 3.43Å; T12-A14 PolarHBondContact O-N 2.98Å |
| 13 | D | 49.8 | Very low | 50.3 | Low | 148 Ų | 148 | 128.2 Ų | 128.2 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -57 | 108.8 | 163.6 | -179.2 | 24.2 | 0 | 0 | 0 | 108.8 | | |
| 14 | A | 54 | Low | 51 | Low | 81 Ų | 81 | 128.4 Ų | 128.4 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | | | trans | -135 | 89.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 106 | T12 L16 | T12-A14 PolarHBondContact O-N 2.98Å; A14-L16 VanDerWaalsContact C-N 3.28Å; A14-L16 PolarHBondContact O-N 3.07Å |
| 15 | A | 59.9 | Low | 51.2 | Low | 83 Ų | 83 | 127.5 Ų | 127.5 | 69% | 0.686 | 78% | 0.775 | S | S | * | * | | | trans | -52.5 | 93.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 16 | L | 50.8 | Low | 51.7 | Low | 150 Ų | 150 | 132.8 Ų | 132.8 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -97.5 | 90.4 | 160.6 | -77.2 | 169.9 | 0 | 0 | 0 | 106.5 | A14 V18 | A14-L16 VanDerWaalsContact C-N 3.28Å; A14-L16 PolarHBondContact O-N 3.07Å; L16-V18 HydrophobicContact CB-CG2 4.37Å; L16-V18 PolarHBondContact O-N 3.14Å |
| 17 | T | 54.8 | Low | 52.4 | Low | 137 Ų | 137 | 137.3 Ų | 137.3 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | | | trans | -60.1 | 80.2 | 167.4 | -34.2 | 0 | 0 | 0 | 0 | 108.5 | S19 | T17-S19 PolarHBondContact O-N 3.35Å; T17-S19 VanDerWaalsContact O-N 3.14Å |
| 18 | V | 50.3 | Low | 52.5 | Low | 128 Ų | 128 | 137.9 Ų | 137.9 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -82.5 | 99 | 172 | -178.2 | 0 | 0 | 0 | 0 | 106.9 | L16 V20 | L16-V18 HydrophobicContact CB-CG2 4.37Å; L16-V18 PolarHBondContact O-N 3.14Å; V18-V20 PolarHBondContact O-N 3.37Å |
| 19 | S | 48.7 | Very low | 53 | Low | 101 Ų | 101 | 144.4 Ų | 144.4 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | | | trans | -31 | 127.4 | 171 | -148.5 | 0 | 0 | 0 | 0 | 112.7 | T17 P21 | T17-S19 PolarHBondContact O-N 3.35Å; T17-S19 VanDerWaalsContact O-N 3.14Å; S19-P21 WeakPolarHBondContact O-CD 3.12Å |
| 20 | V | 55.2 | Low | 53.8 | Low | 125 Ų | 125 | 141.2 Ų | 141.2 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | | | trans | -52.6 | 119.2 | 172.1 | 177.2 | 0 | 0 | 0 | 0 | 108.5 | V18 S22 | V18-V20 PolarHBondContact O-N 3.37Å; V20-S22 PolarHBondContact O-N 3.18Å |
| 21 | P | 50.3 | Low | 54.1 | Low | 105 Ų | 105 | 140 Ų | 140 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | | | trans | -65.9 | 114.7 | 170.9 | 25.8 | -29.9 | 0 | 0 | 0 | 107.5 | S19 M23 | S19-P21 WeakPolarHBondContact O-CD 3.12Å; P21-M23 PolarHBondContact O-N 2.91Å |
| 22 | S | 51.5 | Low | 54.4 | Low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | | | trans | -54.1 | 103.1 | 171 | -80.9 | 0 | 0 | 0 | 0 | 109.4 | V20 L24 | V20-S22 PolarHBondContact O-N 3.18Å; S22-L24 PolarHBondContact O-N 2.89Å |
| 23 | M | 58.2 | Low | 54.6 | Low | 179 Ų | 179 | 133.2 Ų | 133.2 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | | | trans | -69.8 | 51.8 | 169.5 | -70.5 | -93.5 | -77.8 | 0 | 0 | 110.5 | P21 | P21-M23 PolarHBondContact O-N 2.91Š|
| 24 | L | 57.8 | Low | 55.3 | Low | 154 Ų | 154 | 137.5 Ų | 137.5 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | | | trans | -139.6 | 45.8 | -177.7 | -78.5 | 176 | 0 | 0 | 0 | 112.1 | S22 | S22-L24 PolarHBondContact O-N 2.89Š|
| 25 | S | 49.8 | Very low | 55.6 | Low | 99 Ų | 99 | 144.7 Ų | 144.7 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | | | trans | -156.5 | 57.4 | 156.1 | -91.1 | 0 | 0 | 0 | 0 | 110.8 | R27 | S25-R27 PolarHBondContact O-N 2.62Š|
| 26 | E | 52 | Low | 55.9 | Low | 190 Ų | 190 | 152.1 Ų | 152.1 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | | | trans | -69.1 | 76.9 | 150 | -69.4 | -152.2 | 155.3 | 0 | 0 | 108.1 | P28 | E26-P28 WeakPolarHBondContact O-CD 3.31Š|
| 27 | R | 57.6 | Low | 56.4 | Low | 207 Ų | 207 | 150.3 Ų | 150.3 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | | | trans | -65.5 | 121 | 159.3 | -75.7 | -178.6 | 168.2 | 177.5 | -3.4 | 105.8 | S25 R29 | S25-R27 PolarHBondContact O-N 2.62Å; R27-R29 PolarHBondContact O-N 2.84Å |
| 28 | P | 52.6 | Low | 56.7 | Low | 116 Ų | 116 | 149 Ų | 149 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | trans | -58.9 | 111.9 | 170.9 | 23.3 | -30.1 | 0 | 0 | 0 | 106.2 | E26 L30 | E26-P28 WeakPolarHBondContact O-CD 3.31Å; P28-L30 PolarHBondContact O-N 2.89Å |
| 29 | R | 59.6 | Low | 57.3 | Low | 210 Ų | 210 | 148.4 Ų | 148.4 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | | | trans | -62.9 | 96.3 | 170.4 | -66.7 | -178.3 | 178.6 | 157.6 | -0.2 | 104.8 | R27 Q31 | R27-R29 PolarHBondContact O-N 2.84Å; R29-Q31 HydrophobicContact CB-CG 4.13Å; R29-Q31 PolarHBondContact O-N 3.37Å |
| 30 | L | 61.2 | Low | 58 | Low | 168 Ų | 168 | 146.9 Ų | 146.9 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | | | trans | -63.1 | 74.7 | 159 | -74.8 | 166.6 | 0 | 0 | 0 | 106.1 | P28 G32 | P28-L30 PolarHBondContact O-N 2.89Å; L30-G32 PolarHBondContact O-N 2.94Å |
| 31 | Q | 56.8 | Low | 58.3 | Low | 157 Ų | 157 | 146.4 Ų | 146.4 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | trans | -68.3 | 82.4 | 164.4 | -80.3 | 178.3 | 3.5 | 0 | 0 | 104.9 | R29 A33 | R29-Q31 HydrophobicContact CB-CG 4.13Å; R29-Q31 PolarHBondContact O-N 3.37Å; Q31-A33 PolarHBondContact O-N 2.62Å |
| 32 | G | 55.2 | Low | 58.9 | Low | 61 Ų | 61 | 143.7 Ų | 143.7 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | | | trans | -50.2 | 124.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | L30 R34 | L30-G32 PolarHBondContact O-N 2.94Å; G32-R34 PolarHBondContact O-N 2.65Å |
| 33 | A | 61 | Low | 59.4 | Low | 89 Ų | 89 | 143.6 Ų | 143.6 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | | | trans | -41.4 | 113 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q31 R35 | Q31-A33 PolarHBondContact O-N 2.62Å; A33-R35 PolarHBondContact O-N 3.33Å |
| 34 | R | 62.9 | Low | 59.9 | Low | 239 Ų | 239 | 141.2 Ų | 141.2 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | | | trans | -63.6 | 88.6 | 171.2 | -80.8 | -174.1 | 174.3 | -163.2 | -0.6 | 106.9 | G32 R36 | G32-R34 PolarHBondContact O-N 2.65Å; R34-R36 VanDerWaalsContact C-N 3.33Å; R34-R36 PolarHBondContact O-N 3.26Å |
| 35 | R | 62.1 | Low | 60.2 | Low | 231 Ų | 231 | 139.9 Ų | 139.9 | 87% | 0.872 | 76% | 0.755 | S | S | * | * | | | trans | -61.8 | 101.2 | 166.9 | -73.7 | -179.3 | 89.4 | -176.1 | 6.2 | 105.8 | A33 L37 | A33-R35 PolarHBondContact O-N 3.33Å; R35-L37 PolarHBondContact O-N 3.27Å; R35-L37 VanDerWaalsContact O-N 3.15Å |
| 36 | R | 65.6 | Low | 60.7 | Low | 240 Ų | 240 | 139.2 Ų | 139.2 | 91% | 0.906 | 75% | 0.748 | S | S | * | * | | | trans | -62.7 | 114.2 | 170 | -72.2 | -173.9 | 178.2 | -155.2 | 0.6 | 106.6 | R34 | R34-R36 VanDerWaalsContact C-N 3.33Å; R34-R36 PolarHBondContact O-N 3.26Å |
| 37 | L | 61.6 | Low | 61.2 | Low | 112 Ų | 112 | 138.5 Ų | 138.5 | 59% | 0.586 | 75% | 0.75 | S | S | * | * | | | trans | -65.2 | 140 | 167.8 | -103.1 | 101.2 | 0 | 0 | 0 | 108.4 | R35 A39 V41 | R35-L37 PolarHBondContact O-N 3.27Å; R35-L37 VanDerWaalsContact O-N 3.15Å; L37-A39 PolarHBondContact O-N 3.23Å; L37-V41 WeakPolarHBondContact CD2-O 3.26Å |
| 38 | P | 61.5 | Low | 61.3 | Low | 108 Ų | 108 | 134 Ų | 134 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | | | trans | -52.9 | 128.6 | 169.5 | -21.6 | 31.9 | 0 | 0 | 0 | 109.5 | G40 | P38-G40 PolarHBondContact O-N 3.19Š|
| 39 | A | 62.8 | Low | 61.9 | Low | 116 Ų | 116 | 133.8 Ų | 133.8 | 96% | 0.959 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 85.1 | 176 | 0 | 0 | 0 | 0 | 0 | 108.8 | L37 | L37-A39 PolarHBondContact O-N 3.23Š|
| 40 | G | 62.5 | Low | 62 | Low | 70 Ų | 70 | 128.1 Ų | 128.1 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 174.1 | -25.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | P38 | P38-G40 PolarHBondContact O-N 3.19Š|
| 41 | V | 60.8 | Low | 62.1 | Low | 114 Ų | 114 | 124.6 Ų | 124.6 | 69% | 0.691 | 72% | 0.717 | S | S | * | * | | | trans | -143.7 | 92 | 174.8 | -168.5 | 0 | 0 | 0 | 0 | 108.6 | L37 | L37-V41 WeakPolarHBondContact CD2-O 3.26Š|
| 42 | G | 64.4 | Low | 62.5 | Low | 49 Ų | 49 | 122.3 Ų | 122.3 | 51% | 0.505 | 71% | 0.709 | S | S | . | * | | | trans | -63.9 | 154 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | V44 | G42-V44 PolarHBondContact O-N 3.45Š|
| 43 | P | 62.4 | Low | 63.1 | Low | 106 Ų | 106 | 124.1 Ų | 124.1 | 69% | 0.688 | 70% | 0.701 | S | S | * | * | | | trans | -58.7 | 110.6 | 175 | 25.2 | -32.1 | 0 | 0 | 0 | 108.5 | L45 | P43-L45 VanDerWaalsContact C-N 3.26Å; P43-L45 PolarHBondContact O-N 3.37Å |
| 44 | V | 67.3 | Low | 63.3 | Low | 130 Ų | 130 | 124.6 Ų | 124.6 | 79% | 0.788 | 70% | 0.697 | S | S | * | * | | | trans | -71.8 | 95.3 | 166.5 | 178.1 | 0 | 0 | 0 | 0 | 105.2 | G42 P46 | G42-V44 PolarHBondContact O-N 3.45Å; V44-P46 WeakPolarHBondContact O-CD 3.44Å |
| 45 | L | 64.4 | Low | 63.4 | Low | 125 Ų | 125 | 120.1 Ų | 120.1 | 65% | 0.654 | 69% | 0.686 | S | S | * | * | | | trans | -58.3 | 117.8 | 166.3 | -82.5 | 149.9 | 0 | 0 | 0 | 106.2 | P43 L47 | P43-L45 VanDerWaalsContact C-N 3.26Å; P43-L45 PolarHBondContact O-N 3.37Å; L45-L47 PolarHBondContact O-N 3.45Å |
| 46 | P | 60.1 | Low | 63.6 | Low | 85 Ų | 85 | 112.4 Ų | 112.4 | 55% | 0.552 | 66% | 0.664 | S | S | * | * | | | trans | -53.6 | 133.7 | 175.1 | 23 | -31.6 | 0 | 0 | 0 | 106.9 | V44 L48 H50 | V44-P46 WeakPolarHBondContact O-CD 3.44Å; P46-L48 PolarHBondContact O-N 3.49Å; P46-H50 PolarHBondContact O-CD2 2.89Å; P46-H50 PolarHBondContact O-CE1 3.21Å; P46-H50 PolarHBondContact O-NE2 2.99Å |
| 47 | L | 62.4 | Low | 63.5 | Low | 176 Ų | 176 | 103.8 Ų | 103.8 | 92% | 0.921 | 64% | 0.644 | S | S | * | * | | | trans | -65.1 | 72.9 | 177.5 | -67.1 | 158.7 | 0 | 0 | 0 | 109.7 | L45 | L45-L47 PolarHBondContact O-N 3.45Š|
| 48 | L | 59.6 | Low | 63.5 | Low | 111 Ų | 111 | 101.6 Ų | 101.6 | 58% | 0.581 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -64.8 | 169.6 | 149 | -38.8 | 128.3 | 0 | 0 | 0 | 105.6 | P46 H50 | P46-L48 PolarHBondContact O-N 3.49Å; L48-H50 VanDerWaalsContact CA-CE1 3.41Å; L48-H50 WeakPolarHBondContact CA-CE1 3.13Å; L48-H50 WeakPolarHBondContact CA-ND1 3.41Å; L48-H50 WeakPolarHBondContact CB-CE1 3.04Å; L48-H50 WeakPolarHBondContact CB-ND1 2.93Å; L48-H50 WeakPolarHBondContact CD1-CE1 3.36Å; L48-H50 WeakPolarHBondContact CG-CE1 3.4Å; L48-H50 PolarHBondContact N-CE1 3.24Å; L48-H50 VanDerWaalsContact N-CE1 3.33Å; L48-H50 PolarHBondContact N-ND1 3.03Å; L48-H50 WeakPolarHBondContact O-CA 3.38Å; L48-H50 VanDerWaalsContact O-CB 3.26Å; L48-H50 WeakPolarHBondContact O-CB 3.39Å; L48-H50 PolarHBondContact O-N 3.41Å; L48-H50 PolarHBondContact O-ND1 3.3Å |
| 49 | P | 65.7 | Low | 63.5 | Low | 112 Ų | 112 | 106.4 Ų | 106.4 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -63.5 | 80.4 | 171.8 | -20.8 | 33.2 | 0 | 0 | 0 | 109.7 | A51 | P49-A51 VanDerWaalsContact C-N 3.33Å; P49-A51 PolarHBondContact O-N 3.27Å |
| 50 | H | 61.2 | Low | 63.2 | Low | 92 Ų | 92 | 106.7 Ų | 106.7 | 43% | 0.426 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.1 | 8.8 | -149.9 | -84.4 | -2.6 | 0 | 0 | 0 | 117 | P46 L48 | P46-H50 PolarHBondContact O-CD2 2.89Å; P46-H50 PolarHBondContact O-CE1 3.21Å; P46-H50 PolarHBondContact O-NE2 2.99Å; L48-H50 VanDerWaalsContact CA-CE1 3.41Å; L48-H50 WeakPolarHBondContact CA-CE1 3.13Å; L48-H50 WeakPolarHBondContact CA-ND1 3.41Å; L48-H50 WeakPolarHBondContact CB-CE1 3.04Å; L48-H50 WeakPolarHBondContact CB-ND1 2.93Å; L48-H50 WeakPolarHBondContact CD1-CE1 3.36Å; L48-H50 WeakPolarHBondContact CG-CE1 3.4Å; L48-H50 PolarHBondContact N-CE1 3.24Å; L48-H50 VanDerWaalsContact N-CE1 3.33Å; L48-H50 PolarHBondContact N-ND1 3.03Å; L48-H50 WeakPolarHBondContact O-CA 3.38Å; L48-H50 VanDerWaalsContact O-CB 3.26Å; L48-H50 WeakPolarHBondContact O-CB 3.39Å; L48-H50 PolarHBondContact O-N 3.41Å; L48-H50 PolarHBondContact O-ND1 3.3Å |
| 51 | A | 63.9 | Low | 63 | Low | 93 Ų | 93 | 107.7 Ų | 107.7 | 77% | 0.769 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.8 | 45.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | P49 H53 | P49-A51 VanDerWaalsContact C-N 3.33Å; P49-A51 PolarHBondContact O-N 3.27Å; A51-H53 VanDerWaalsContact C-N 3.3Å; A51-H53 PolarHBondContact O-N 2.71Å |
| 52 | L | 65.5 | Low | 62.9 | Low | 110 Ų | 110 | 104.8 Ų | 104.8 | 58% | 0.576 | 63% | 0.631 | S | S | * | * | | | trans | -62.7 | 107.2 | 159.1 | -67.7 | -173 | 0 | 0 | 0 | 106.7 | V56 | L52-V56 HydrophobicContact CB-CB 4.5Å; L52-V56 HydrophobicContact CB-CG1 4.42Å; L52-V56 HydrophobicContact CD2-CG1 3.93Å |
| 53 | H | 67.8 | Low | 62.7 | Low | 98 Ų | 98 | 107 Ų | 107 | 45% | 0.454 | 65% | 0.645 | S | S | . | * | | | trans | -47.5 | 140.4 | 177.1 | -166 | -95.2 | 0 | 0 | 0 | 108.5 | A51 Q55 V56 A57 | A51-H53 VanDerWaalsContact C-N 3.3Å; A51-H53 PolarHBondContact O-N 2.71Å; H53-Q55 PolarHBondContact CE1-OE1 2.8Å; H53-Q55 WeakPolarHBondContact ND1-CB 3Å; H53-Q55 WeakPolarHBondContact ND1-CG 3.41Å; H53-Q55 PolarHBondContact ND1-OE1 2.68Å; H53-Q55 PolarHBondContact O-N 2.97Å; H53-V56 HydrophobicContact CB-CG2 4.06Å; H53-V56 WeakPolarHBondContact O-CA 3.26Å; H53-V56 WeakPolarHBondContact O-CB 3.23Å; H53-V56 PolarHBondContact O-N 3.47Å; H53-A57 PolarHBondContact O-N 2.92Å |
| 54 | P | 65.5 | Low | 62.7 | Low | 100 Ų | 100 | 105.8 Ų | 105.8 | 65% | 0.649 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -50.7 | -30.6 | -178.2 | -29.6 | 35 | 0 | 0 | 0 | 113.6 | A57 A58 | P54-A57 PolarHBondContact O-N 2.86Å; P54-A58 VanDerWaalsContact O-CB 3.23Å; P54-A58 WeakPolarHBondContact O-CB 3.47Å; P54-A58 PolarHBondContact O-N 2.91Å |
| 55 | Q | 63.6 | Low | 62.6 | Low | 145 Ų | 145 | 104.3 Ų | 104.3 | 68% | 0.678 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.5 | -33.6 | 173.9 | -63.2 | 158.8 | -16.7 | 0 | 0 | 113.5 | H53 R59 | H53-Q55 PolarHBondContact CE1-OE1 2.8Å; H53-Q55 WeakPolarHBondContact ND1-CB 3Å; H53-Q55 WeakPolarHBondContact ND1-CG 3.41Å; H53-Q55 PolarHBondContact ND1-OE1 2.68Å; H53-Q55 PolarHBondContact O-N 2.97Å; Q55-R59 WeakPolarHBondContact O-CB 3.41Å; Q55-R59 PolarHBondContact O-N 2.81Å |
| 56 | V | 66.1 | Low | 62.6 | Low | 69 Ų | 69 | 105.1 Ų | 105.1 | 42% | 0.418 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -74.6 | -40 | 174.2 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | L52 H53 A58 R59 T60 | L52-V56 HydrophobicContact CB-CB 4.5Å; L52-V56 HydrophobicContact CB-CG1 4.42Å; L52-V56 HydrophobicContact CD2-CG1 3.93Å; H53-V56 HydrophobicContact CB-CG2 4.06Å; H53-V56 WeakPolarHBondContact O-CA 3.26Å; H53-V56 WeakPolarHBondContact O-CB 3.23Å; H53-V56 PolarHBondContact O-N 3.47Å; V56-A58 VanDerWaalsContact C-N 3.34Å; V56-R59 WeakPolarHBondContact O-CB 3.47Å; V56-R59 PolarHBondContact O-N 2.89Å; V56-T60 PolarHBondContact O-OG1 2.91Å |
| 57 | A | 63.6 | Low | 63 | Low | 58 Ų | 58 | 106.4 Ų | 106.4 | 48% | 0.479 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -62.1 | -42.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | H53 P54 R59 T60 | H53-A57 PolarHBondContact O-N 2.92Å; P54-A57 PolarHBondContact O-N 2.86Å; A57-R59 VanDerWaalsContact C-N 3.31Å; A57-R59 PolarHBondContact O-N 2.78Å; A57-T60 PolarHBondContact O-N 3.27Å; A57-T60 PolarHBondContact O-OG1 2.74Å |
| 58 | A | 62.1 | Low | 63.5 | Low | 67 Ų | 67 | 105.7 Ų | 105.7 | 55% | 0.554 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.6 | -26.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P54 V56 T60 A61 | P54-A58 VanDerWaalsContact O-CB 3.23Å; P54-A58 WeakPolarHBondContact O-CB 3.47Å; P54-A58 PolarHBondContact O-N 2.91Å; V56-A58 VanDerWaalsContact C-N 3.34Å; A58-T60 PolarHBondContact O-N 3.15Å; A58-A61 PolarHBondContact O-N 2.95Å |
| 59 | R | 62.6 | Low | 64.2 | Low | 208 Ų | 208 | 103.9 Ų | 103.9 | 79% | 0.785 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.3 | -22 | 177 | -163.5 | 175.4 | -170.7 | -154.3 | 1.5 | 112.8 | Q55 V56 A57 A61 G62 | Q55-R59 WeakPolarHBondContact O-CB 3.41Å; Q55-R59 PolarHBondContact O-N 2.81Å; V56-R59 WeakPolarHBondContact O-CB 3.47Å; V56-R59 PolarHBondContact O-N 2.89Å; A57-R59 VanDerWaalsContact C-N 3.31Å; A57-R59 PolarHBondContact O-N 2.78Å; R59-A61 PolarHBondContact O-N 3.18Å; R59-G62 PolarHBondContact O-N 2.8Å |
| 60 | T | 56.6 | Low | 64.7 | Low | 123 Ų | 123 | 101.2 Ų | 101.2 | 76% | 0.755 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -0.7 | -179.2 | -27.2 | 0 | 0 | 0 | 0 | 113.8 | V56 A57 A58 | V56-T60 PolarHBondContact O-OG1 2.91Å; A57-T60 PolarHBondContact O-N 3.27Å; A57-T60 PolarHBondContact O-OG1 2.74Å; A58-T60 PolarHBondContact O-N 3.15Å |
| 61 | A | 57.4 | Low | 65.4 | Low | 90 Ų | 90 | 103 Ų | 103 | 74% | 0.744 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 1.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A58 R59 A63 | A58-A61 PolarHBondContact O-N 2.95Å; R59-A61 PolarHBondContact O-N 3.18Å; A61-A63 PolarHBondContact O-N 2.8Å |
| 62 | G | 59.6 | Low | 66 | Low | 54 Ų | 54 | 102.6 Ų | 102.6 | 56% | 0.557 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -81.5 | 107.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | R59 A64 | R59-G62 PolarHBondContact O-N 2.8Å; G62-A64 PolarHBondContact O-N 2.69Å |
| 63 | A | 59.8 | Low | 66.4 | Low | 96 Ų | 96 | 103.2 Ų | 103.2 | 79% | 0.793 | 65% | 0.652 | S | S | * | * | | | trans | -34 | 112.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | A61 A65 | A61-A63 PolarHBondContact O-N 2.8Å; A63-A65 PolarHBondContact O-N 2.88Å |
| 64 | A | 61.1 | Low | 66.6 | Low | 79 Ų | 79 | 107.3 Ų | 107.3 | 65% | 0.653 | 67% | 0.671 | S | S | * | * | | | trans | -48 | 117.1 | 172 | 0 | 0 | 0 | 0 | 0 | 103.8 | G62 L66 | G62-A64 PolarHBondContact O-N 2.69Å; A64-L66 PolarHBondContact O-N 2.88Å |
| 65 | A | 65.4 | Low | 66.9 | Low | 100 Ų | 100 | 108 Ų | 108 | 83% | 0.826 | 67% | 0.673 | S | S | * | * | | | trans | -68.2 | 76 | 175.5 | 0 | 0 | 0 | 0 | 0 | 104.8 | A63 | A63-A65 PolarHBondContact O-N 2.88Š|
| 66 | L | 65.9 | Low | 67.5 | Low | 142 Ų | 142 | 110.3 Ų | 110.3 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | | | trans | -54.8 | 124.1 | 166.2 | -69.1 | 174.8 | 0 | 0 | 0 | 102.9 | A64 H68 | A64-L66 PolarHBondContact O-N 2.88Å; L66-H68 PolarHBondContact O-N 2.84Å |
| 67 | P | 67.6 | Low | 67.6 | Low | 112 Ų | 112 | 110.1 Ų | 110.1 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | | | trans | -52.3 | 116.7 | 176.4 | 21.7 | -31.3 | 0 | 0 | 0 | 106.4 | V69 | P67-V69 PolarHBondContact O-N 2.89Š|
| 68 | H | 72.6 | Confident | 67.6 | Low | 161 Ų | 161 | 113.5 Ų | 113.5 | 75% | 0.745 | 71% | 0.71 | S | S | * | * | | | trans | -67.9 | 102.7 | 179.8 | 177.8 | 65.9 | 0 | 0 | 0 | 106.6 | L66 P70 | L66-H68 PolarHBondContact O-N 2.84Å; H68-P70 VanDerWaalsContact O-CD 3.31Å; H68-P70 WeakPolarHBondContact O-CD 3.37Å |
| 69 | V | 73.9 | Confident | 67.6 | Low | 72 Ų | 72 | 121 Ų | 121 | 44% | 0.436 | 72% | 0.724 | S | S | . | * | | | trans | -84.4 | 111.7 | 169.5 | -177.3 | 0 | 0 | 0 | 0 | 105.8 | P67 M73 V75 | P67-V69 PolarHBondContact O-N 2.89Å; V69-M73 HydrophobicContact CG1-CB 3.7Å; V69-V75 HydrophobicContact CG1-CG2 4.25Å |
| 70 | P | 77.7 | Confident | 67.6 | Low | 56 Ų | 56 | 116.7 Ų | 116.7 | 36% | 0.364 | 72% | 0.723 | S | S | . | * | | | trans | -60.2 | 144.4 | 176.4 | 24.2 | -32 | 0 | 0 | 0 | 109.7 | H68 G72 M73 | H68-P70 VanDerWaalsContact O-CD 3.31Å; H68-P70 WeakPolarHBondContact O-CD 3.37Å; P70-G72 PolarHBondContact O-N 3.04Å; P70-M73 HydrophobicContact CG-CE 4.15Å; P70-M73 HydrophobicContact CG-CG 4.3Å; P70-M73 PolarHBondContact O-N 3.14Å |
| 71 | P | 74.3 | Confident | 67.6 | Low | 131 Ų | 131 | 116.3 Ų | 116.3 | 85% | 0.851 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | 123.4 | 177.5 | 23.1 | -31.1 | 0 | 0 | 0 | 109.6 | | |
| 72 | G | 76.4 | Confident | 67.5 | Low | 84 Ų | 84 | 120.5 Ų | 120.5 | 87% | 0.866 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 112.2 | 1.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | P70 | P70-G72 PolarHBondContact O-N 3.04Š|
| 73 | M | 74.1 | Confident | 67.3 | Low | 123 Ų | 123 | 122 Ų | 122 | 61% | 0.606 | 73% | 0.733 | S | S | * | * | | | trans | -85.6 | 127 | 168.2 | -88.9 | -133.9 | -95 | 0 | 0 | 112 | V69 P70 V75 | V69-M73 HydrophobicContact CG1-CB 3.7Å; P70-M73 HydrophobicContact CG-CE 4.15Å; P70-M73 HydrophobicContact CG-CG 4.3Å; P70-M73 PolarHBondContact O-N 3.14Å; M73-V75 PolarHBondContact O-N 3.49Å |
| 74 | E | 72.6 | Confident | 67 | Low | 184 Ų | 184 | 125.3 Ų | 125.3 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | | | trans | -74.8 | 112.2 | 166.4 | -66 | -163.7 | 124 | 0 | 0 | 109.6 | Q76 | E74-Q76 PolarHBondContact O-N 2.77Å; E74-Q76 VanDerWaalsContact O-N 3.14Å |
| 75 | V | 72.6 | Confident | 66.5 | Low | 114 Ų | 114 | 126.3 Ų | 126.3 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | | | trans | -79.7 | 95.4 | 175.7 | -175.6 | 0 | 0 | 0 | 0 | 108.3 | V69 M73 G77 | V69-V75 HydrophobicContact CG1-CG2 4.25Å; M73-V75 PolarHBondContact O-N 3.49Å; V75-G77 PolarHBondContact O-N 2.81Å; V75-G77 VanDerWaalsContact O-N 3.07Å |
| 76 | Q | 74.6 | Confident | 65.7 | Low | 194 Ų | 194 | 125.4 Ų | 125.4 | 91% | 0.907 | 75% | 0.745 | S | S | * | * | | | trans | -72 | 99.7 | 171.8 | -74.2 | -162.2 | 54.2 | 0 | 0 | 109.9 | E74 | E74-Q76 PolarHBondContact O-N 2.77Å; E74-Q76 VanDerWaalsContact O-N 3.14Å |
| 77 | G | 70.1 | Confident | 64.7 | Low | 65 Ų | 65 | 122.2 Ų | 122.2 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | | | trans | 166 | 39.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | V75 | V75-G77 PolarHBondContact O-N 2.81Å; V75-G77 VanDerWaalsContact O-N 3.07Å |
| 78 | V | 63.6 | Low | 63.6 | Low | 129 Ų | 129 | 122 Ų | 122 | 78% | 0.782 | 75% | 0.754 | S | S | * | * | | | trans | -139.2 | 118.2 | 153.5 | -174.6 | 0 | 0 | 0 | 0 | 106.8 | P80 | V78-P80 WeakPolarHBondContact O-CD 3.4Š|
| 79 | R | 60.3 | Low | 62.4 | Low | 224 Ų | 224 | 123.3 Ų | 123.3 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | | | trans | -84.4 | 106 | 162.3 | -60.7 | -166.7 | 95.6 | -165.5 | 3.9 | 106.7 | D81 | R79-D81 PolarHBondContact O-N 3.23Š|
| 80 | P | 63.3 | Low | 61.8 | Low | 118 Ų | 118 | 125.9 Ų | 125.9 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | | | trans | -78.6 | 72.2 | 164.2 | 34.2 | -32.6 | 0 | 0 | 0 | 107.2 | V78 | V78-P80 WeakPolarHBondContact O-CD 3.4Š|
| 81 | D | 56.7 | Low | 60.9 | Low | 115 Ų | 115 | 129.5 Ų | 129.5 | 62% | 0.615 | 82% | 0.821 | S | S | * | * | | | trans | -133.1 | 63.1 | 174.2 | -147.2 | 10.2 | 0 | 0 | 0 | 110.2 | R79 | R79-D81 PolarHBondContact O-N 3.23Š|
| 82 | L | 54.9 | Low | 60.2 | Low | 177 Ų | 177 | 129.4 Ų | 129.4 | 93% | 0.927 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -136.4 | 48.4 | 156.6 | -161.1 | 78.9 | 0 | 0 | 0 | 108.5 | | |
| 83 | A | 55.4 | Low | 59.2 | Low | 87 Ų | 87 | 132.1 Ų | 132.1 | 72% | 0.719 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -138.8 | 40.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 84 | L | 53.6 | Low | 58.3 | Low | 164 Ų | 164 | 132.7 Ų | 132.7 | 86% | 0.859 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -164.3 | 47 | 171.9 | -109 | 152.7 | 0 | 0 | 0 | 112.8 | | |
| 85 | A | 51.9 | Low | 57.4 | Low | 100 Ų | 100 | 129.3 Ų | 129.3 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | | | trans | -149.3 | 47.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 86 | G | 47.5 | Very low | 56.3 | Low | 82 Ų | 82 | 130.4 Ų | 130.4 | 85% | 0.845 | 84% | 0.838 | S | S | * | * | | | trans | -102.6 | 73.5 | 158 | 0 | 0 | 0 | 0 | 0 | 107.8 | A88 | G86-A88 PolarHBondContact O-N 3.45Š|
| 87 | G | 44.2 | Very low | 54.9 | Low | 74 Ų | 74 | 125.5 Ų | 125.5 | 76% | 0.763 | 83% | 0.833 | S | S | * | * | | | trans | -58.8 | 130.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | S89 | G87-S89 PolarHBondContact O-N 3.4Š|
| 88 | A | 45.3 | Very low | 53.6 | Low | 107 Ų | 107 | 130.5 Ų | 130.5 | 88% | 0.884 | 85% | 0.846 | S | S | * | * | | | trans | -57.7 | 124.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | G86 | G86-A88 PolarHBondContact O-N 3.45Š|
| 89 | S | 46.6 | Very low | 52.7 | Low | 189 Ų | 189 | 130.6 Ų | 130.6 | 100% | 1.322 | 85% | 0.852 | S | S | * | * | | | trans | -160.1 | 0 | 141.3 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | G87 | G87-S89 PolarHBondContact O-N 3.4Š|