| 1 | M | 45.7 | Very low | 63 | Low | 243 Ų | 243 | 145.8 Ų | 145.8 | 100% | 1.197 | 83% | 0.834 | S | S | * | * | | | | 0 | 106.8 | 0 | -76.7 | -83.9 | 77.2 | 0 | 0 | 107.9 | | |
| 2 | A | 58.2 | Low | 62.7 | Low | 100 Ų | 100 | 150.7 Ų | 150.7 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | | | trans | -123.8 | 125.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 3 | A | 68.6 | Low | 62.3 | Low | 94 Ų | 94 | 150.1 Ų | 150.1 | 78% | 0.777 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 145.7 | -180 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 4 | P | 68.4 | Low | 62 | Low | 117 Ų | 117 | 148.4 Ų | 148.4 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 147.4 | -179.7 | 4.4 | 9.2 | 0 | 0 | 0 | 111.5 | | |
| 5 | P | 63.5 | Low | 61.7 | Low | 127 Ų | 127 | 147.1 Ų | 147.1 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 135.2 | 177.6 | 28.5 | -32.5 | 0 | 0 | 0 | 111.2 | A7 | P5-A7 PolarHBondContact O-N 3.06Š|
| 6 | K | 67.4 | Low | 61.6 | Low | 206 Ų | 206 | 147.3 Ų | 147.3 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 123.2 | 174.8 | -121.9 | 88.7 | 171.7 | -173.5 | 0 | 109.3 | | |
| 7 | A | 69.7 | Low | 61.1 | Low | 85 Ų | 85 | 152.2 Ų | 152.2 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 138.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | P5 I9 | P5-A7 PolarHBondContact O-N 3.06Å; A7-I9 PolarHBondContact O-N 3.47Å |
| 8 | P | 63.1 | Low | 60.7 | Low | 125 Ų | 125 | 149.1 Ų | 149.1 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 128.4 | 175.1 | 27.2 | -30.4 | 0 | 0 | 0 | 110.8 | R10 | P8-R10 PolarHBondContact O-N 3.15Š|
| 9 | I | 67.9 | Low | 60.1 | Low | 157 Ų | 157 | 144.4 Ų | 144.4 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | | | trans | -69.5 | 112.9 | 175.2 | -63 | 170.5 | 0 | 0 | 0 | 108.2 | A7 V11 | A7-I9 PolarHBondContact O-N 3.47Å; I9-V11 HydrophobicContact CG2-CG2 4.43Å; I9-V11 PolarHBondContact O-N 3.06Å |
| 10 | R | 61.5 | Low | 59.8 | Low | 240 Ų | 240 | 141.7 Ų | 141.7 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | | | trans | -81.3 | 99.6 | 175.6 | -167.5 | 176.5 | 178.7 | -121.9 | 1.5 | 109.2 | P8 R12 | P8-R10 PolarHBondContact O-N 3.15Å; R10-R12 PolarHBondContact O-N 3Å |
| 11 | V | 58.7 | Low | 59.4 | Low | 110 Ų | 110 | 143.3 Ų | 143.3 | 67% | 0.667 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 119.2 | 174.7 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | I9 | I9-V11 HydrophobicContact CG2-CG2 4.43Å; I9-V11 PolarHBondContact O-N 3.06Å |
| 12 | R | 59.7 | Low | 59.8 | Low | 204 Ų | 204 | 137.5 Ų | 137.5 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 118 | 172 | 116.6 | 177.7 | -170 | 166.3 | 4.2 | 108 | R10 L14 | R10-R12 PolarHBondContact O-N 3Å; R12-L14 PolarHBondContact O-N 3.12Å |
| 13 | N | 58 | Low | 59.7 | Low | 143 Ų | 143 | 136.6 Ų | 136.6 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 118.6 | 169.9 | -66 | -37.5 | 0 | 0 | 0 | 108.3 | T15 | N13-T15 PolarHBondContact O-N 3.05Š|
| 14 | L | 58.3 | Low | 59.2 | Low | 126 Ų | 126 | 141.1 Ų | 141.1 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | | | trans | -80.2 | 102.1 | 175.3 | -170.3 | 74.3 | 0 | 0 | 0 | 108.4 | R12 I16 | R12-L14 PolarHBondContact O-N 3.12Å; L14-I16 PolarHBondContact O-N 3.21Å |
| 15 | T | 56.9 | Low | 58.4 | Low | 129 Ų | 129 | 143.4 Ų | 143.4 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | -68.3 | 110.6 | 173.3 | -48.7 | 0 | 0 | 0 | 0 | 109.4 | N13 R17 | N13-T15 PolarHBondContact O-N 3.05Å; T15-R17 PolarHBondContact O-N 2.81Å |
| 16 | I | 60.3 | Low | 57.9 | Low | 150 Ų | 150 | 144.5 Ų | 144.5 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | -73.4 | 108.6 | 170.5 | -60 | -178.1 | 0 | 0 | 0 | 107.5 | L14 A18 | L14-I16 PolarHBondContact O-N 3.21Å; I16-A18 PolarHBondContact O-N 2.85Å |
| 17 | R | 53.8 | Low | 56.9 | Low | 232 Ų | 232 | 141.2 Ų | 141.2 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | | | trans | -73.2 | 105.6 | 169.4 | -172.2 | 178.9 | -175 | -117.1 | 2.9 | 107.5 | T15 G19 | T15-R17 PolarHBondContact O-N 2.81Å; R17-G19 PolarHBondContact O-N 3.06Å |
| 18 | A | 53.7 | Low | 55.7 | Low | 96 Ų | 96 | 143.3 Ų | 143.3 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | | | trans | -62.3 | 99.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | I16 A20 | I16-A18 PolarHBondContact O-N 2.85Å; A18-A20 PolarHBondContact O-N 3Å |
| 19 | G | 48.8 | Very low | 55.3 | Low | 59 Ų | 59 | 145.4 Ų | 145.4 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | | | trans | -70.5 | 121.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | R17 L21 | R17-G19 PolarHBondContact O-N 3.06Å; G19-L21 PolarHBondContact O-N 2.83Å; G19-L21 VanDerWaalsContact O-N 3.13Å |
| 20 | A | 54 | Low | 54.4 | Low | 90 Ų | 90 | 142.8 Ų | 142.8 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | | | trans | -57 | 114.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | A18 T22 | A18-A20 PolarHBondContact O-N 3Å; A20-T22 PolarHBondContact O-N 2.81Å |
| 21 | L | 51.4 | Low | 53.7 | Low | 176 Ų | 176 | 136.8 Ų | 136.8 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | | | trans | -77.3 | 81.7 | 171.4 | -155.7 | 88.8 | 0 | 0 | 0 | 107.4 | G19 G23 | G19-L21 PolarHBondContact O-N 2.83Å; G19-L21 VanDerWaalsContact O-N 3.13Å; L21-G23 PolarHBondContact O-N 2.76Å |
| 22 | T | 54.2 | Low | 53.2 | Low | 121 Ų | 121 | 138.5 Ų | 138.5 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | | | trans | -64.8 | 122.1 | 169.9 | 49 | 0 | 0 | 0 | 0 | 108.2 | A20 | A20-T22 PolarHBondContact O-N 2.81Š|
| 23 | G | 55.1 | Low | 52.8 | Low | 81 Ų | 81 | 134.4 Ų | 134.4 | 84% | 0.835 | 75% | 0.751 | S | S | * | * | | | trans | -52.5 | 137 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L21 | L21-G23 PolarHBondContact O-N 2.76Š|
| 24 | K | 58.4 | Low | 52.3 | Low | 190 Ų | 190 | 136.2 Ų | 136.2 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | | | trans | -136.6 | 119 | 157.8 | -177.6 | 170.9 | 163.6 | -178.6 | 0 | 107.2 | | |
| 25 | E | 53 | Low | 51.9 | Low | 165 Ų | 165 | 136.2 Ų | 136.2 | 77% | 0.771 | 75% | 0.754 | S | S | * | * | | | trans | -65.6 | 153.9 | -168.9 | 63.5 | -139.8 | 138.3 | 0 | 0 | 114.3 | N27 | E25-N27 PolarHBondContact O-N 3.33Å; E25-N27 PolarHBondContact O-ND2 2.85Å |
| 26 | N | 51.3 | Low | 51 | Low | 150 Ų | 150 | 138.5 Ų | 138.5 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | | | trans | -46.9 | 117 | 176.2 | -138.8 | -82.4 | 0 | 0 | 0 | 111.3 | | |
| 27 | N | 47.4 | Very low | 50 | Low | 136 Ų | 136 | 137.6 Ų | 137.6 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | -106.9 | 84.6 | 159.7 | -82.4 | -89.2 | 0 | 0 | 0 | 107.6 | E25 L29 | E25-N27 PolarHBondContact O-N 3.33Å; E25-N27 PolarHBondContact O-ND2 2.85Å; N27-L29 PolarHBondContact O-N 3.3Å; N27-L29 VanDerWaalsContact O-N 3.12Å |
| 28 | M | 44.8 | Very low | 49.5 | Very low | 129 Ų | 129 | 131 Ų | 131 | 64% | 0.635 | 75% | 0.75 | S | S | * | * | | | trans | -54.5 | 104.3 | 154.9 | 172 | -177.5 | 57.1 | 0 | 0 | 107 | Q30 | M28-Q30 HydrophobicContact CE-CG 4.03Å; M28-Q30 HydrophobicContact CG-CG 4.44Å; M28-Q30 PolarHBondContact O-N 3.04Å; M28-Q30 PolarHBondContact SD-NE2 2.97Å |
| 29 | L | 53.6 | Low | 49.3 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 89% | 0.885 | 75% | 0.752 | S | S | * | * | | | trans | -68.2 | 92.8 | 165.7 | -80.8 | 156.4 | 0 | 0 | 0 | 106.6 | N27 | N27-L29 PolarHBondContact O-N 3.3Å; N27-L29 VanDerWaalsContact O-N 3.12Å |
| 30 | Q | 48.5 | Very low | 48.9 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 48% | 0.481 | 76% | 0.764 | S | S | . | * | | | trans | -53.3 | 133.9 | 162.3 | -74.5 | -90 | -35.7 | 0 | 0 | 107.8 | M28 E32 | M28-Q30 HydrophobicContact CE-CG 4.03Å; M28-Q30 HydrophobicContact CG-CG 4.44Å; M28-Q30 PolarHBondContact O-N 3.04Å; M28-Q30 PolarHBondContact SD-NE2 2.97Å; Q30-E32 PolarHBondContact O-N 2.85Å; Q30-E32 VanDerWaalsContact O-OE2 3.06Å |
| 31 | P | 47.2 | Very low | 48.7 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | -82.4 | 91.7 | 163.2 | 9.7 | 5.9 | 0 | 0 | 0 | 107.4 | T33 | P31-T33 PolarHBondContact O-N 2.99Å; P31-T33 VanDerWaalsContact O-N 3.11Å |
| 32 | E | 47.7 | Very low | 48.2 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | | | trans | -61.9 | 115.7 | 170.9 | -75.7 | 83.1 | -174 | 0 | 0 | 110.4 | Q30 H34 | Q30-E32 PolarHBondContact O-N 2.85Å; Q30-E32 VanDerWaalsContact O-OE2 3.06Å; E32-H34 PolarHBondContact O-N 3.34Å |
| 33 | T | 52.7 | Low | 48.3 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | | | trans | -76.4 | 111.7 | 166.6 | -48.4 | 0 | 0 | 0 | 0 | 107.4 | P31 | P31-T33 PolarHBondContact O-N 2.99Å; P31-T33 VanDerWaalsContact O-N 3.11Å |
| 34 | H | 48 | Very low | 48.1 | Very low | 181 Ų | 181 | 139.7 Ų | 139.7 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | | | trans | -124.4 | 100.9 | 164.7 | -97.4 | 43.9 | 0 | 0 | 0 | 109.5 | E32 | E32-H34 PolarHBondContact O-N 3.34Š|
| 35 | I | 48.8 | Very low | 47.9 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 65% | 0.651 | 77% | 0.767 | S | S | * | * | | | trans | -82.6 | 130.9 | 157.7 | -59.1 | 179.5 | 0 | 0 | 0 | 106 | | |
| 36 | F | 38.2 | Very low | 47.6 | Very low | 177 Ų | 177 | 135.5 Ų | 135.5 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | | 160.4 | 118.7 | 126.1 | -93.8 | -76.3 | 0 | 0 | 0 | 113.9 | | |
| 37 | T | 40.2 | Very low | 47.9 | Very low | 130 Ų | 130 | 133 Ų | 133 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | | | trans | 55.1 | 134.9 | 141.9 | 42.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 38 | A | 41.8 | Very low | 48.1 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | cis | -160.3 | 172.3 | 38.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 39 | P | 49.9 | Very low | 48.9 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | trans | -92 | 131.5 | -167.2 | 35 | -27.6 | 0 | 0 | 0 | 112.4 | | |
| 40 | E | 39.9 | Very low | 49 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | | | trans | -107.1 | 113.9 | 162.9 | -155.2 | -153.7 | 151.1 | 0 | 0 | 109.4 | G42 | E40-G42 PolarHBondContact O-N 3.03Š|
| 41 | E | 51.4 | Low | 49.3 | Very low | 196 Ų | 196 | 134.9 Ų | 134.9 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | | | trans | -80.1 | 103.1 | 178.6 | -170.7 | 158 | -178.7 | 0 | 0 | 108.9 | | |
| 42 | G | 40.6 | Very low | 49.6 | Very low | 64 Ų | 64 | 138.3 Ų | 138.3 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | | | trans | -132.4 | 79.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E40 | E40-G42 PolarHBondContact O-N 3.03Š|
| 43 | S | 56.3 | Low | 50.2 | Low | 109 Ų | 109 | 135.1 Ų | 135.1 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | trans | 30.5 | 104.7 | 149.8 | -172.3 | 0 | 0 | 0 | 0 | 117.9 | | |
| 44 | S | 49.9 | Very low | 50.4 | Low | 122 Ų | 122 | 135.5 Ų | 135.5 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | trans | -149.3 | 98.9 | 136.9 | -84.3 | 0 | 0 | 0 | 0 | 109.3 | G46 | S44-G46 PolarHBondContact O-N 2.85Š|
| 45 | Q | 55.5 | Low | 51.3 | Low | 200 Ų | 200 | 134.7 Ų | 134.7 | 94% | 0.935 | 80% | 0.801 | S | S | * | * | | | trans | -57.1 | 101.8 | 167.6 | -167.8 | 131.2 | -4.7 | 0 | 0 | 109.2 | | |
| 46 | G | 46.7 | Very low | 51.7 | Low | 67 Ų | 67 | 133.6 Ų | 133.6 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | | | trans | -149.7 | 75.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | S44 L48 | S44-G46 PolarHBondContact O-N 2.85Å; G46-L48 PolarHBondContact O-N 2.86Å |
| 47 | A | 57.3 | Low | 52.8 | Low | 97 Ų | 97 | 132.8 Ų | 132.8 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | | | trans | -63.4 | 111.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 48 | L | 52.3 | Low | 53.8 | Low | 152 Ų | 152 | 132 Ų | 132 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | | | trans | -138.3 | 89.5 | 154.1 | -71.8 | 179.8 | 0 | 0 | 0 | 108.2 | G46 L50 | G46-L48 PolarHBondContact O-N 2.86Å; L48-L50 PolarHBondContact O-N 2.73Å |
| 49 | L | 59.9 | Low | 54.9 | Low | 184 Ų | 184 | 134.8 Ų | 134.8 | 96% | 0.963 | 81% | 0.807 | S | S | * | * | | | trans | -63.6 | 87.9 | 163.1 | -69.2 | 172.7 | 0 | 0 | 0 | 108.2 | | |
| 50 | L | 55.6 | Low | 55.3 | Low | 164 Ų | 164 | 134 Ų | 134 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | | | trans | -116.3 | 59.4 | 171.3 | -115.8 | 152.2 | 0 | 0 | 0 | 108.8 | L48 | L48-L50 PolarHBondContact O-N 2.73Š|
| 51 | G | 56.4 | Low | 56.1 | Low | 77 Ų | 77 | 130.8 Ų | 130.8 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | -133 | 55 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 52 | Q | 53.1 | Low | 56.6 | Low | 186 Ų | 186 | 126.9 Ų | 126.9 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | | | trans | -109 | 108.2 | 159.6 | -108.6 | -156 | 43.2 | 0 | 0 | 108.2 | | |
| 53 | A | 60.4 | Low | 57.2 | Low | 78 Ų | 78 | 129 Ų | 129 | 65% | 0.645 | 79% | 0.79 | S | S | * | * | | | trans | -68.4 | 139.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | E55 | A53-E55 PolarHBondContact O-N 2.88Š|
| 54 | P | 56.7 | Low | 57.3 | Low | 126 Ų | 126 | 130 Ų | 130 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -60.8 | 114.9 | 172.7 | -20.9 | 32.4 | 0 | 0 | 0 | 109.4 | | |
| 55 | E | 66.8 | Low | 57.7 | Low | 164 Ų | 164 | 129.6 Ų | 129.6 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | trans | -57.3 | 124.7 | 173.7 | -150.8 | 104.5 | 135.5 | 0 | 0 | 108.3 | A53 L57 | A53-E55 PolarHBondContact O-N 2.88Å; E55-L57 PolarHBondContact O-N 2.74Å |
| 56 | P | 56.8 | Low | 57.5 | Low | 105 Ų | 105 | 126.2 Ų | 126.2 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | | | trans | -68.6 | 102.3 | 173.6 | 26.4 | -30.2 | 0 | 0 | 0 | 107.6 | S58 | P56-S58 VanDerWaalsContact C-N 3.3Å; P56-S58 PolarHBondContact O-N 2.63Å; P56-S58 PolarHBondContact O-OG 3.07Å |
| 57 | L | 61.1 | Low | 58 | Low | 160 Ų | 160 | 130.7 Ų | 130.7 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | | | trans | -55.7 | 98.7 | 168.8 | -71.7 | 171.2 | 0 | 0 | 0 | 107.7 | E55 L59 | E55-L57 PolarHBondContact O-N 2.74Å; L57-L59 VanDerWaalsContact C-N 3.34Å; L57-L59 PolarHBondContact O-N 2.88Å |
| 58 | S | 60.4 | Low | 58 | Low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | | | trans | -71.2 | 94.3 | 178.5 | -64.4 | 0 | 0 | 0 | 0 | 107.3 | P56 | P56-S58 VanDerWaalsContact C-N 3.3Å; P56-S58 PolarHBondContact O-N 2.63Å; P56-S58 PolarHBondContact O-OG 3.07Å |
| 59 | L | 66 | Low | 58.1 | Low | 153 Ų | 153 | 134.2 Ų | 134.2 | 80% | 0.801 | 77% | 0.77 | S | S | * | * | | | trans | -65.4 | 134.7 | 174.5 | -68.2 | 173.8 | 0 | 0 | 0 | 109.1 | L57 C61 | L57-L59 VanDerWaalsContact C-N 3.34Å; L57-L59 PolarHBondContact O-N 2.88Å; L59-C61 PolarHBondContact O-N 2.86Å |
| 60 | P | 58 | Low | 57.7 | Low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | | | trans | -71.1 | 103.5 | 178.3 | 27.5 | -31.1 | 0 | 0 | 0 | 109.6 | T62 | P60-T62 VanDerWaalsContact C-N 3.31Å; P60-T62 PolarHBondContact O-N 3.28Å |
| 61 | C | 56.2 | Low | 57.5 | Low | 119 Ų | 119 | 129.9 Ų | 129.9 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | -77.8 | 85.4 | 166.3 | 177.8 | 0 | 0 | 0 | 0 | 108.7 | L59 P63 | L59-C61 PolarHBondContact O-N 2.86Å; C61-P63 WeakPolarHBondContact O-CD 3.39Å |
| 62 | T | 62.6 | Low | 57.2 | Low | 115 Ų | 115 | 130.9 Ų | 130.9 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | | | trans | -94.9 | 107.8 | 161.8 | 38.8 | 0 | 0 | 0 | 0 | 107.6 | P60 V64 | P60-T62 VanDerWaalsContact C-N 3.31Å; P60-T62 PolarHBondContact O-N 3.28Å; T62-V64 PolarHBondContact O-N 2.98Å; T62-V64 VanDerWaalsContact O-N 3.13Å |
| 63 | P | 52.2 | Low | 57.2 | Low | 109 Ų | 109 | 128 Ų | 128 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | | | trans | -65 | 116.6 | 163.8 | 27 | -29 | 0 | 0 | 0 | 106.3 | C61 T65 | C61-P63 WeakPolarHBondContact O-CD 3.39Å; P63-T65 PolarHBondContact O-N 2.56Å |
| 64 | V | 58.7 | Low | 57.1 | Low | 130 Ų | 130 | 130.5 Ų | 130.5 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | | | trans | -55.9 | 114.5 | 169.2 | 167 | 0 | 0 | 0 | 0 | 106.8 | T62 L66 | T62-V64 PolarHBondContact O-N 2.98Å; T62-V64 VanDerWaalsContact O-N 3.13Å; V64-L66 VanDerWaalsContact C-N 3.28Å; V64-L66 PolarHBondContact O-N 3.13Å |
| 65 | T | 59.3 | Low | 57 | Low | 112 Ų | 112 | 127.8 Ų | 127.8 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | | | trans | -59.5 | 96.8 | 167.2 | -40.4 | 0 | 0 | 0 | 0 | 106.5 | P63 E67 | P63-T65 PolarHBondContact O-N 2.56Å; T65-E67 PolarHBondContact O-N 3.03Å |
| 66 | L | 50.6 | Low | 56.4 | Low | 130 Ų | 130 | 126 Ų | 126 | 68% | 0.681 | 75% | 0.748 | S | S | * | * | | | trans | -72.9 | 88.9 | 170 | -155.4 | 167.6 | 0 | 0 | 0 | 104.8 | V64 Q68 | V64-L66 VanDerWaalsContact C-N 3.28Å; V64-L66 PolarHBondContact O-N 3.13Å; L66-Q68 HydrophobicContact CD2-CG 3.67Å; L66-Q68 PolarHBondContact O-N 3.07Å |
| 67 | E | 57 | Low | 56.4 | Low | 160 Ų | 160 | 126.7 Ų | 126.7 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | trans | -53.8 | 89.5 | 164.1 | -73.2 | -73.5 | 126.6 | 0 | 0 | 106.7 | T65 Q69 | T65-E67 PolarHBondContact O-N 3.03Å; E67-Q69 PolarHBondContact O-N 3.29Å |
| 68 | Q | 57.3 | Low | 56.3 | Low | 146 Ų | 146 | 127.2 Ų | 127.2 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | | | trans | -69.4 | 93.5 | 171.3 | -74.2 | -178.8 | -13.7 | 0 | 0 | 105.5 | L66 L70 | L66-Q68 HydrophobicContact CD2-CG 3.67Å; L66-Q68 PolarHBondContact O-N 3.07Å; Q68-L70 PolarHBondContact O-N 2.94Å |
| 69 | Q | 53.9 | Low | 56 | Low | 177 Ų | 177 | 132.8 Ų | 132.8 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | | | trans | -61.2 | 87 | 166.5 | -166.3 | 170.7 | -96.3 | 0 | 0 | 107.1 | E67 V71 | E67-Q69 PolarHBondContact O-N 3.29Å; Q69-V71 PolarHBondContact O-N 3.49Å |
| 70 | L | 52.5 | Low | 55.5 | Low | 139 Ų | 139 | 129.6 Ų | 129.6 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | | | trans | -65.9 | 89.3 | 174.4 | -115.1 | 118.5 | 0 | 0 | 0 | 107 | Q68 S72 | Q68-L70 PolarHBondContact O-N 2.94Å; L70-S72 PolarHBondContact O-N 2.96Å |
| 71 | V | 51.8 | Low | 55.3 | Low | 118 Ų | 118 | 130.1 Ų | 130.1 | 72% | 0.715 | 75% | 0.753 | S | S | * | * | | | trans | -62.1 | 108.3 | 161.3 | 176.3 | 0 | 0 | 0 | 0 | 105.5 | Q69 P73 | Q69-V71 PolarHBondContact O-N 3.49Å; V71-P73 WeakPolarHBondContact O-CD 3.44Å |
| 72 | S | 49.8 | Very low | 55.7 | Low | 99 Ų | 99 | 129.1 Ų | 129.1 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | | | trans | -63.4 | 122.4 | 178.4 | -61.3 | 0 | 0 | 0 | 0 | 108.9 | L70 S74 | L70-S72 PolarHBondContact O-N 2.96Å; S72-S74 PolarHBondContact O-N 3.39Å |
| 73 | P | 52.6 | Low | 55.7 | Low | 124 Ų | 124 | 131.2 Ų | 131.2 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | | | trans | -72.3 | 104.7 | 168.3 | 28.5 | -29.1 | 0 | 0 | 0 | 107.6 | V71 G75 | V71-P73 WeakPolarHBondContact O-CD 3.44Å; P73-G75 PolarHBondContact O-N 3.41Å |
| 74 | S | 59.2 | Low | 55.8 | Low | 131 Ų | 131 | 131.4 Ų | 131.4 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | | | trans | -61 | 113.4 | 166.2 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | S72 | S72-S74 PolarHBondContact O-N 3.39Š|
| 75 | G | 53 | Low | 55.6 | Low | 69 Ų | 69 | 130.1 Ų | 130.1 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | trans | -169.2 | 102.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P73 | P73-G75 PolarHBondContact O-N 3.41Š|
| 76 | D | 54.7 | Low | 55.8 | Low | 128 Ų | 128 | 133 Ų | 133 | 68% | 0.684 | 77% | 0.766 | S | S | * | * | | | trans | 10.1 | 118 | 162.6 | -162.5 | 0.5 | 0 | 0 | 0 | 119.2 | H78 | D76-H78 VanDerWaalsContact C-N 3.3Å; D76-H78 PolarHBondContact O-N 3.46Å; D76-H78 VanDerWaalsContact O-N 3.15Å; D76-H78 IonicContact OD1-CD2 3.56Å |
| 77 | P | 56.8 | Low | 56 | Low | 118 Ų | 118 | 131.6 Ų | 131.6 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -79.4 | 14.1 | -173.2 | 32.2 | -35.6 | 0 | 0 | 0 | 116.4 | R79 | P77-R79 PolarHBondContact O-N 2.91Š|
| 78 | H | 59 | Low | 55.7 | Low | 172 Ų | 172 | 129 Ų | 129 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | | | trans | -93.4 | 17.1 | -171 | -79.9 | -60 | 0 | 0 | 0 | 117.2 | D76 | D76-H78 VanDerWaalsContact C-N 3.3Å; D76-H78 PolarHBondContact O-N 3.46Å; D76-H78 VanDerWaalsContact O-N 3.15Å; D76-H78 IonicContact OD1-CD2 3.56Å |
| 79 | R | 54.8 | Low | 55.9 | Low | 228 Ų | 228 | 127.8 Ų | 127.8 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -132.4 | 122.4 | 171.5 | -167.6 | 168 | -70.3 | 167.2 | 0.2 | 111.1 | P77 | P77-R79 PolarHBondContact O-N 2.91Š|
| 80 | A | 55.2 | Low | 56.2 | Low | 86 Ų | 86 | 126.6 Ų | 126.6 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | -50 | 136 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | A82 | A80-A82 PolarHBondContact O-N 2.87Š|
| 81 | P | 54.5 | Low | 56.9 | Low | 123 Ų | 123 | 126.3 Ų | 126.3 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | | | trans | -64 | 111.2 | 175.8 | -10.2 | 23.2 | 0 | 0 | 0 | 107.9 | L83 | P81-L83 PolarHBondContact O-N 3.42Š|
| 82 | A | 63.8 | Low | 57.4 | Low | 98 Ų | 98 | 128 Ų | 128 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | | | trans | -64 | 111.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | A80 | A80-A82 PolarHBondContact O-N 2.87Š|
| 83 | L | 63.9 | Low | 58.2 | Low | 159 Ų | 159 | 130 Ų | 130 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | | | trans | -48.2 | 129.7 | 177.2 | -71.3 | 167.8 | 0 | 0 | 0 | 109 | P81 S85 | P81-L83 PolarHBondContact O-N 3.42Å; L83-S85 PolarHBondContact O-N 2.95Å; L83-S85 VanDerWaalsContact O-N 3.12Å |
| 84 | P | 52.5 | Low | 58.9 | Low | 112 Ų | 112 | 129.4 Ų | 129.4 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -61.4 | 123.9 | 176.9 | 23.9 | -29.5 | 0 | 0 | 0 | 107.8 | I86 | P84-I86 PolarHBondContact O-N 3.37Š|
| 85 | S | 55.9 | Low | 59 | Low | 104 Ų | 104 | 128.9 Ų | 128.9 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | -48 | 112.1 | 170 | 170 | 0 | 0 | 0 | 0 | 108.7 | L83 C87 | L83-S85 PolarHBondContact O-N 2.95Å; L83-S85 VanDerWaalsContact O-N 3.12Å; S85-C87 PolarHBondContact O-N 3.44Å |
| 86 | I | 61.9 | Low | 59.3 | Low | 171 Ų | 171 | 129.1 Ų | 129.1 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -69.2 | 29.7 | -173.1 | 27.9 | 168.2 | 0 | 0 | 0 | 114.2 | P84 | P84-I86 PolarHBondContact O-N 3.37Š|
| 87 | C | 56.1 | Low | 59.5 | Low | 102 Ų | 102 | 129.9 Ų | 129.9 | 69% | 0.689 | 76% | 0.764 | S | S | * | * | | | trans | -129 | 65.9 | 174.6 | -59.6 | 0 | 0 | 0 | 0 | 109.8 | S85 T89 | S85-C87 PolarHBondContact O-N 3.44Å; C87-T89 VanDerWaalsContact C-N 3.29Å; C87-T89 PolarHBondContact O-N 2.62Å |
| 88 | S | 51 | Low | 59.5 | Low | 105 Ų | 105 | 129 Ų | 129 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | trans | -67.8 | 97.5 | 152.9 | -79.7 | 0 | 0 | 0 | 0 | 107 | L90 | S88-L90 PolarHBondContact O-N 2.76Š|
| 89 | T | 61.3 | Low | 59.6 | Low | 120 Ų | 120 | 124.1 Ų | 124.1 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | | | trans | -62.4 | 92.7 | 159.6 | 47.9 | 0 | 0 | 0 | 0 | 106.5 | C87 I91 | C87-T89 VanDerWaalsContact C-N 3.29Å; C87-T89 PolarHBondContact O-N 2.62Å; T89-I91 PolarHBondContact O-N 3.5Å |
| 90 | L | 60.9 | Low | 59.8 | Low | 153 Ų | 153 | 118 Ų | 118 | 80% | 0.801 | 72% | 0.722 | S | S | * | * | | | trans | -63.9 | 92.6 | 169 | -67.8 | 174.1 | 0 | 0 | 0 | 106.6 | S88 L92 | S88-L90 PolarHBondContact O-N 2.76Å; L90-L92 VanDerWaalsContact C-N 3.25Å; L90-L92 PolarHBondContact O-N 2.86Å |
| 91 | I | 65.6 | Low | 59.9 | Low | 132 Ų | 132 | 120 Ų | 120 | 68% | 0.677 | 72% | 0.72 | S | S | * | * | | | trans | -73.1 | 94.7 | 164.4 | -57.9 | 178.5 | 0 | 0 | 0 | 104.8 | T89 Q93 | T89-I91 PolarHBondContact O-N 3.5Å; I91-Q93 PolarHBondContact O-N 3.41Å |
| 92 | L | 62.2 | Low | 60.1 | Low | 154 Ų | 154 | 120.8 Ų | 120.8 | 81% | 0.806 | 72% | 0.717 | S | S | * | * | | | trans | -64.7 | 85.7 | 164.4 | -78.6 | 161 | 0 | 0 | 0 | 107.4 | L90 P94 | L90-L92 VanDerWaalsContact C-N 3.25Å; L90-L92 PolarHBondContact O-N 2.86Å; L92-P94 VanDerWaalsContact O-CD 3.23Å; L92-P94 WeakPolarHBondContact O-CD 3.23Å; L92-P94 VanDerWaalsContact O-N 3.14Å |
| 93 | Q | 66.6 | Low | 59.6 | Low | 140 Ų | 140 | 121 Ų | 121 | 65% | 0.654 | 70% | 0.704 | S | S | * | * | | | | 14.6 | 86.7 | 112.9 | 20 | -117.9 | -46.7 | 0 | 0 | 114.6 | I91 C95 | I91-Q93 PolarHBondContact O-N 3.41Å; Q93-C95 PolarHBondContact O-N 3.02Å |
| 94 | P | 67.2 | Low | 59.4 | Low | 112 Ų | 112 | 119.6 Ų | 119.6 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | | | trans | -65.1 | 87.3 | 159.7 | -12.2 | 28 | 0 | 0 | 0 | 106.8 | L92 A96 | L92-P94 VanDerWaalsContact O-CD 3.23Å; L92-P94 WeakPolarHBondContact O-CD 3.23Å; L92-P94 VanDerWaalsContact O-N 3.14Å; P94-A96 PolarHBondContact O-N 3.03Å |
| 95 | C | 61.3 | Low | 59.9 | Low | 120 Ų | 120 | 118.8 Ų | 118.8 | 81% | 0.811 | 69% | 0.687 | S | S | * | * | | | trans | -70 | 123.4 | 175.1 | -66.6 | 0 | 0 | 0 | 0 | 107.4 | Q93 | Q93-C95 PolarHBondContact O-N 3.02Š|
| 96 | A | 59.4 | Low | 60.2 | Low | 74 Ų | 74 | 122.7 Ų | 122.7 | 61% | 0.612 | 69% | 0.694 | S | S | * | * | | | trans | 80.1 | 104.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P94 L98 | P94-A96 PolarHBondContact O-N 3.03Å; A96-L98 HydrophobicContact CB-CG 4.32Å; A96-L98 PolarHBondContact O-N 2.94Å |
| 97 | T | 59.2 | Low | 59.8 | Low | 145 Ų | 145 | 119.9 Ų | 119.9 | 89% | 0.89 | 69% | 0.685 | S | S | * | * | | | trans | -58.3 | 90.3 | 141.3 | -53.8 | 0 | 0 | 0 | 0 | 106.4 | D99 | T97-D99 PolarHBondContact O-N 2.93Š|
| 98 | L | 57.8 | Low | 59.8 | Low | 100 Ų | 100 | 119.4 Ų | 119.4 | 52% | 0.524 | 68% | 0.681 | S | S | . | * | | | trans | -62.7 | 108.7 | 165.6 | -78 | 160.2 | 0 | 0 | 0 | 105.6 | A96 P100 L103 | A96-L98 HydrophobicContact CB-CG 4.32Å; A96-L98 PolarHBondContact O-N 2.94Å; L98-P100 WeakPolarHBondContact O-CD 3.4Å; L98-P100 VanDerWaalsContact O-N 3.16Å; L98-L103 HydrophobicContact CB-CD1 3.56Å; L98-L103 HydrophobicContact CB-CG 4.05Å; L98-L103 HydrophobicContact CD1-CD1 3.89Å; L98-L103 HydrophobicContact CD1-CD2 4.46Å; L98-L103 HydrophobicContact CD1-CG 4.33Å; L98-L103 HydrophobicContact CG-CD1 4.24Å |
| 99 | D | 60.1 | Low | 60.3 | Low | 68 Ų | 68 | 124.5 Ų | 124.5 | 36% | 0.364 | 69% | 0.689 | S | S | . | * | | | trans | -47.8 | 122 | 168.5 | 177.9 | 6.6 | 0 | 0 | 0 | 107.5 | T97 L101 L102 L103 | T97-D99 PolarHBondContact O-N 2.93Å; D99-L101 PolarHBondContact O-N 2.99Å; D99-L101 WeakPolarHBondContact OD1-CB 3.4Å; D99-L101 WeakPolarHBondContact OD1-CG 3.03Å; D99-L101 PolarHBondContact OD1-N 3.39Å; D99-L102 HydrophobicContact CB-CB 4.49Å; D99-L102 HydrophobicContact CB-CD1 4.37Å; D99-L102 HydrophobicContact CB-CG 4.08Å; D99-L102 PolarHBondContact O-N 3.49Å; D99-L103 PolarHBondContact O-N 3.35Å |
| 100 | P | 58.7 | Low | 60.2 | Low | 101 Ų | 101 | 122.2 Ų | 122.2 | 66% | 0.656 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -22.7 | 176.8 | -25.2 | 33 | 0 | 0 | 0 | 112.7 | L98 Q104 | L98-P100 WeakPolarHBondContact O-CD 3.4Å; L98-P100 VanDerWaalsContact O-N 3.16Å; P100-Q104 PolarHBondContact O-N 3.11Å |
| 101 | L | 58.6 | Low | 60.4 | Low | 127 Ų | 127 | 118.7 Ų | 118.7 | 67% | 0.665 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -26 | 176.1 | -56 | 176.8 | 0 | 0 | 0 | 113.5 | D99 | D99-L101 PolarHBondContact O-N 2.99Å; D99-L101 WeakPolarHBondContact OD1-CB 3.4Å; D99-L101 WeakPolarHBondContact OD1-CG 3.03Å; D99-L101 PolarHBondContact OD1-N 3.39Å |
| 102 | L | 57.8 | Low | 60.5 | Low | 139 Ų | 139 | 118.9 Ų | 118.9 | 73% | 0.728 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -22.1 | 174.4 | -63.5 | -174.1 | 0 | 0 | 0 | 112.9 | D99 | D99-L102 HydrophobicContact CB-CB 4.49Å; D99-L102 HydrophobicContact CB-CD1 4.37Å; D99-L102 HydrophobicContact CB-CG 4.08Å; D99-L102 PolarHBondContact O-N 3.49Å |
| 103 | L | 54.8 | Low | 60.8 | Low | 104 Ų | 104 | 117.6 Ų | 117.6 | 55% | 0.545 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -92.3 | 7 | 174 | -84 | 174.8 | 0 | 0 | 0 | 113.5 | L98 D99 P105 | L98-L103 HydrophobicContact CB-CD1 3.56Å; L98-L103 HydrophobicContact CB-CG 4.05Å; L98-L103 HydrophobicContact CD1-CD1 3.89Å; L98-L103 HydrophobicContact CD1-CD2 4.46Å; L98-L103 HydrophobicContact CD1-CG 4.33Å; L98-L103 HydrophobicContact CG-CD1 4.24Å; D99-L103 PolarHBondContact O-N 3.35Å; L103-P105 WeakPolarHBondContact O-CD 2.9Å |
| 104 | Q | 59.6 | Low | 61 | Low | 128 Ų | 128 | 113.2 Ų | 113.2 | 60% | 0.598 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -51.5 | 111.4 | 160.8 | -77.4 | -83 | 8.5 | 0 | 0 | 105.5 | P100 Q106 | P100-Q104 PolarHBondContact O-N 3.11Å; Q104-Q106 PolarHBondContact O-N 3.49Å |
| 105 | P | 61.3 | Low | 61.2 | Low | 95 Ų | 95 | 113.9 Ų | 113.9 | 62% | 0.617 | 64% | 0.641 | S | S | * | * | | | trans | -53.8 | 118.2 | 166.1 | -13.3 | 28 | 0 | 0 | 0 | 101.9 | L103 V107 | L103-P105 WeakPolarHBondContact O-CD 2.9Å; P105-V107 HydrophobicContact CB-CG2 4.29Å; P105-V107 PolarHBondContact O-N 3.03Å |
| 106 | Q | 62.6 | Low | 61.9 | Low | 186 Ų | 186 | 112.4 Ų | 112.4 | 87% | 0.869 | 63% | 0.627 | S | S | * | * | | | trans | -61.4 | 87.6 | 157.8 | -78.7 | 164.9 | 65.1 | 0 | 0 | 101.9 | Q104 P108 | Q104-Q106 PolarHBondContact O-N 3.49Å; Q106-P108 WeakPolarHBondContact O-CD 3.39Å |
| 107 | V | 54.2 | Low | 62.6 | Low | 112 Ų | 112 | 111.6 Ų | 111.6 | 68% | 0.679 | 62% | 0.617 | S | S | * | * | | | trans | -54.7 | 103.4 | 173.4 | 174.6 | 0 | 0 | 0 | 0 | 99.7 | P105 K109 | P105-V107 HydrophobicContact CB-CG2 4.29Å; P105-V107 PolarHBondContact O-N 3.03Å; V107-K109 PolarHBondContact O-N 3.28Å; V107-K109 VanDerWaalsContact O-N 3.07Å |
| 108 | P | 56.8 | Low | 63.5 | Low | 93 Ų | 93 | 107.5 Ų | 107.5 | 60% | 0.604 | 60% | 0.598 | S | S | * | * | | | trans | -55.3 | 132.6 | 167.5 | -9.2 | 26.4 | 0 | 0 | 0 | 101.1 | Q106 V110 | Q106-P108 WeakPolarHBondContact O-CD 3.39Å; P108-V110 HydrophobicContact CB-CG2 3.99Å; P108-V110 HydrophobicContact CG-CG2 4.37Å; P108-V110 PolarHBondContact O-N 3.44Å |
| 109 | K | 60.6 | Low | 64.9 | Low | 211 Ų | 211 | 109 Ų | 109 | 92% | 0.917 | 60% | 0.602 | S | S | * | * | | | trans | -63.4 | 66.9 | 169 | -73.2 | -175.4 | 176.9 | 177 | 0 | 106.9 | V107 S111 | V107-K109 PolarHBondContact O-N 3.28Å; V107-K109 VanDerWaalsContact O-N 3.07Å; K109-S111 VanDerWaalsContact C-N 3.27Å; K109-S111 PolarHBondContact O-N 3Å |
| 110 | V | 58.4 | Low | 66.3 | Low | 72 Ų | 72 | 108.2 Ų | 108.2 | 44% | 0.436 | 60% | 0.602 | S | S | . | * | | | trans | -61.6 | 104.6 | 163.6 | 171.9 | 0 | 0 | 0 | 0 | 100.6 | P108 D112 A114 | P108-V110 HydrophobicContact CB-CG2 3.99Å; P108-V110 HydrophobicContact CG-CG2 4.37Å; P108-V110 PolarHBondContact O-N 3.44Å; V110-D112 PolarHBondContact O-N 3.18Å; V110-A114 HydrophobicContact CG1-CB 3.53Å |
| 111 | S | 65.2 | Low | 67.9 | Low | 79 Ų | 79 | 107.7 Ų | 107.7 | 55% | 0.552 | 59% | 0.591 | S | S | * | * | | | trans | -34 | 129.9 | 173.8 | 176.7 | 0 | 0 | 0 | 0 | 108.9 | K109 Q113 A114 | K109-S111 VanDerWaalsContact C-N 3.27Å; K109-S111 PolarHBondContact O-N 3Å; S111-Q113 CarbonylContact O-C 3.59Å; S111-Q113 PolarHBondContact O-N 3.02Å; S111-A114 PolarHBondContact O-N 3.1Å |
| 112 | D | 67.8 | Low | 69.7 | Low | 137 Ų | 137 | 109.7 Ų | 109.7 | 73% | 0.733 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -49.1 | -28.3 | -178.2 | -61.2 | -54.9 | 0 | 0 | 0 | 111.4 | V110 A114 L115 V116 | V110-D112 PolarHBondContact O-N 3.18Å; D112-A114 PolarHBondContact O-N 3.33Å; D112-L115 PolarHBondContact O-N 3.06Å; D112-V116 WeakPolarHBondContact O-CB 3.38Å; D112-V116 WeakPolarHBondContact O-CG2 3.37Å; D112-V116 PolarHBondContact O-N 3.22Å |
| 113 | Q | 68 | Low | 71.5 | Confident | 126 Ų | 126 | 108 Ų | 108 | 59% | 0.589 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -56.8 | -41.7 | 172.4 | -169 | 60.5 | 60.8 | 0 | 0 | 114.7 | S111 S117 | S111-Q113 CarbonylContact O-C 3.59Å; S111-Q113 PolarHBondContact O-N 3.02Å; Q113-S117 VanDerWaalsContact O-CB 3.27Å; Q113-S117 WeakPolarHBondContact O-CB 3.49Å; Q113-S117 PolarHBondContact O-N 3.25Å; Q113-S117 PolarHBondContact O-OG 3.43Å |
| 114 | A | 71.3 | Confident | 73.5 | Confident | 49 Ų | 49 | 109.5 Ų | 109.5 | 41% | 0.405 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -74.6 | -33.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V110 S111 D112 S117 A118 | V110-A114 HydrophobicContact CG1-CB 3.53Å; S111-A114 PolarHBondContact O-N 3.1Å; D112-A114 PolarHBondContact O-N 3.33Å; A114-S117 PolarHBondContact O-N 3.02Å; A114-A118 WeakPolarHBondContact O-CB 3.16Å; A114-A118 PolarHBondContact O-N 3.39Å |
| 115 | L | 72.5 | Confident | 75.3 | Confident | 126 Ų | 126 | 109.5 Ų | 109.5 | 66% | 0.66 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69 | -43.7 | 173.4 | -149.6 | 110.6 | 0 | 0 | 0 | 111.1 | D112 S117 A118 H119 | D112-L115 PolarHBondContact O-N 3.06Å; L115-S117 VanDerWaalsContact C-N 3.3Å; L115-S117 PolarHBondContact O-N 2.93Å; L115-A118 PolarHBondContact O-N 2.94Å; L115-H119 WeakPolarHBondContact O-CB 3.39Å; L115-H119 PolarHBondContact O-N 3.12Å |
| 116 | V | 74.7 | Confident | 77.1 | Confident | 88 Ų | 88 | 108.1 Ų | 108.1 | 53% | 0.533 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.6 | -39.4 | 173.3 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | D112 S120 | D112-V116 WeakPolarHBondContact O-CB 3.38Å; D112-V116 WeakPolarHBondContact O-CG2 3.37Å; D112-V116 PolarHBondContact O-N 3.22Å; V116-S120 VanDerWaalsContact O-CB 3.3Å; V116-S120 WeakPolarHBondContact O-CB 3.27Å; V116-S120 PolarHBondContact O-N 3.41Å |
| 117 | S | 75.1 | Confident | 78.7 | Confident | 57 Ų | 57 | 105.6 Ų | 105.6 | 40% | 0.399 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -68.7 | -44.5 | 178.3 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | Q113 A114 L115 S120 E121 | Q113-S117 VanDerWaalsContact O-CB 3.27Å; Q113-S117 WeakPolarHBondContact O-CB 3.49Å; Q113-S117 PolarHBondContact O-N 3.25Å; Q113-S117 PolarHBondContact O-OG 3.43Å; A114-S117 PolarHBondContact O-N 3.02Å; L115-S117 VanDerWaalsContact C-N 3.3Å; L115-S117 PolarHBondContact O-N 2.93Å; S117-S120 PolarHBondContact O-N 3Å; S117-E121 PolarHBondContact O-N 3.39Å |
| 118 | A | 77.8 | Confident | 80.8 | Confident | 59 Ų | 59 | 102.8 Ų | 102.8 | 49% | 0.488 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | A114 L115 E121 W122 | A114-A118 WeakPolarHBondContact O-CB 3.16Å; A114-A118 PolarHBondContact O-N 3.39Å; L115-A118 PolarHBondContact O-N 2.94Å; A118-E121 PolarHBondContact O-N 3.21Å; A118-W122 PolarHBondContact O-N 3.35Å |
| 119 | H | 86.5 | Confident | 82.7 | Confident | 133 Ų | 133 | 101 Ų | 101 | 62% | 0.616 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.7 | -43.4 | 174.8 | -176.8 | -83.7 | 0 | 0 | 0 | 111.8 | L115 E121 W122 Q123 | L115-H119 WeakPolarHBondContact O-CB 3.39Å; L115-H119 PolarHBondContact O-N 3.12Å; H119-E121 PolarHBondContact O-N 3.26Å; H119-W122 PolarHBondContact O-N 2.93Å; H119-Q123 WeakPolarHBondContact O-CB 3.45Å; H119-Q123 PolarHBondContact O-N 3.38Å |
| 120 | S | 89.2 | Confident | 84.5 | Confident | 50 Ų | 50 | 96.5 Ų | 96.5 | 35% | 0.35 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 176.6 | 178.3 | 0 | 0 | 0 | 0 | 112.8 | V116 S117 R124 | V116-S120 VanDerWaalsContact O-CB 3.3Å; V116-S120 WeakPolarHBondContact O-CB 3.27Å; V116-S120 PolarHBondContact O-N 3.41Å; S117-S120 PolarHBondContact O-N 3Å; S120-R124 PolarHBondContact O-N 3.1Å; S120-R124 VanDerWaalsContact O-N 3.1Å; S120-R124 PolarHBondContact OG-NH2 3.41Å |
| 121 | E | 92.2 | Very high | 86.3 | Confident | 91 Ų | 91 | 95.7 Ų | 95.7 | 43% | 0.425 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 177.7 | -165.6 | -165.1 | 142 | 0 | 0 | 111.8 | S117 A118 H119 R124 K125 | S117-E121 PolarHBondContact O-N 3.39Å; A118-E121 PolarHBondContact O-N 3.21Å; H119-E121 PolarHBondContact O-N 3.26Å; E121-R124 PolarHBondContact O-N 3.44Å; E121-K125 PolarHBondContact O-N 3.03Å; E121-K125 WeakPolarHBondContact OE1-CE 3.43Å; E121-K125 IonicContact OE1-NZ 2.72Å; E121-K125 PolarHBondContact OE1-NZ 3.44Å |
| 122 | W | 96.8 | Very high | 87.8 | Confident | 168 Ų | 168 | 97.6 Ų | 97.6 | 64% | 0.636 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.8 | -43.9 | 177.4 | -160.7 | 96.3 | 0 | 0 | 0 | 111.6 | A118 H119 R124 K125 L126 | A118-W122 PolarHBondContact O-N 3.35Å; H119-W122 PolarHBondContact O-N 2.93Å; W122-R124 PolarHBondContact O-N 3.01Å; W122-K125 WeakPolarHBondContact O-CB 3.36Å; W122-K125 PolarHBondContact O-N 3.35Å; W122-L126 HydrophobicContact CE3-CB 4.45Å; W122-L126 HydrophobicContact CH2-CD1 4.49Å; W122-L126 HydrophobicContact CZ3-CB 4.17Å; W122-L126 HydrophobicContact CZ3-CD2 3.95Å; W122-L126 HydrophobicContact CZ3-CG 4.46Å; W122-L126 PolarHBondContact O-N 3.1Å |
| 123 | Q | 97.1 | Very high | 89.2 | Confident | 103 Ų | 103 | 96.4 Ų | 96.4 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 175.6 | -170.3 | 69 | 15 | 0 | 0 | 112 | H119 K125 L126 E127 | H119-Q123 WeakPolarHBondContact O-CB 3.45Å; H119-Q123 PolarHBondContact O-N 3.38Å; Q123-K125 VanDerWaalsContact C-N 3.33Å; Q123-K125 PolarHBondContact O-N 2.78Å; Q123-L126 PolarHBondContact O-N 3.39Å; Q123-E127 PolarHBondContact O-N 2.79Å |
| 124 | R | 96.6 | Very high | 90.5 | Very high | 136 Ų | 136 | 95 Ų | 95 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 176.4 | -99.2 | -179.9 | -79.3 | 112.4 | 0.1 | 112.7 | S120 E121 W122 E127 A128 | S120-R124 PolarHBondContact O-N 3.1Å; S120-R124 VanDerWaalsContact O-N 3.1Å; S120-R124 PolarHBondContact OG-NH2 3.41Å; E121-R124 PolarHBondContact O-N 3.44Å; W122-R124 PolarHBondContact O-N 3.01Å; R124-E127 PolarHBondContact O-N 2.9Å; R124-A128 WeakPolarHBondContact O-CB 3.3Å; R124-A128 PolarHBondContact O-N 2.72Å |
| 125 | K | 97.7 | Very high | 91.5 | Very high | 129 Ų | 129 | 98.5 Ų | 98.5 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.6 | -40.8 | 176.2 | -82.2 | 170.6 | 164.3 | 162.3 | 0 | 111.9 | E121 W122 Q123 A128 A129 | E121-K125 PolarHBondContact O-N 3.03Å; E121-K125 WeakPolarHBondContact OE1-CE 3.43Å; E121-K125 IonicContact OE1-NZ 2.72Å; E121-K125 PolarHBondContact OE1-NZ 3.44Å; W122-K125 WeakPolarHBondContact O-CB 3.36Å; W122-K125 PolarHBondContact O-N 3.35Å; Q123-K125 VanDerWaalsContact C-N 3.33Å; Q123-K125 PolarHBondContact O-N 2.78Å; K125-A128 PolarHBondContact O-N 2.98Å; K125-A129 WeakPolarHBondContact O-CB 3.46Å; K125-A129 PolarHBondContact O-N 3.36Å |
| 126 | L | 97.8 | Very high | 92.2 | Very high | 66 Ų | 66 | 102 Ų | 102 | 35% | 0.346 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.5 | -48.9 | 175.1 | -177.1 | 69.4 | 0 | 0 | 0 | 111.1 | W122 Q123 A128 A129 E130 | W122-L126 HydrophobicContact CE3-CB 4.45Å; W122-L126 HydrophobicContact CH2-CD1 4.49Å; W122-L126 HydrophobicContact CZ3-CB 4.17Å; W122-L126 HydrophobicContact CZ3-CD2 3.95Å; W122-L126 HydrophobicContact CZ3-CG 4.46Å; W122-L126 PolarHBondContact O-N 3.1Å; Q123-L126 PolarHBondContact O-N 3.39Å; L126-A128 VanDerWaalsContact C-N 3.33Å; L126-A128 PolarHBondContact O-N 2.96Å; L126-A129 WeakPolarHBondContact O-CB 3.49Å; L126-A129 PolarHBondContact O-N 3.49Å; L126-A129 VanDerWaalsContact O-N 3.11Å; L126-E130 PolarHBondContact O-N 3.06Å |
| 127 | E | 97.4 | Very high | 92.8 | Very high | 133 Ų | 133 | 102.6 Ų | 102.6 | 62% | 0.621 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.6 | -41.7 | 179.3 | -172.7 | 175 | -120.4 | 0 | 0 | 112.1 | Q123 R124 A129 E130 A131 | Q123-E127 PolarHBondContact O-N 2.79Å; R124-E127 PolarHBondContact O-N 2.9Å; E127-A129 PolarHBondContact O-N 3Å; E127-E130 PolarHBondContact O-N 3.4Å; E127-A131 WeakPolarHBondContact O-CB 3.47Å; E127-A131 PolarHBondContact O-N 3.38Å |
| 128 | A | 97.6 | Very high | 92.7 | Very high | 53 Ų | 53 | 106.7 Ų | 106.7 | 44% | 0.438 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64 | -39.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R124 K125 L126 A131 L132 | R124-A128 WeakPolarHBondContact O-CB 3.3Å; R124-A128 PolarHBondContact O-N 2.72Å; K125-A128 PolarHBondContact O-N 2.98Å; L126-A128 VanDerWaalsContact C-N 3.33Å; L126-A128 PolarHBondContact O-N 2.96Å; A128-A131 PolarHBondContact O-N 2.91Å; A128-L132 WeakPolarHBondContact O-CG 3.27Å; A128-L132 PolarHBondContact O-N 3.3Å; A128-L132 VanDerWaalsContact O-N 3.1Å |
| 129 | A | 97.3 | Very high | 93.4 | Very high | 54 Ų | 54 | 109.1 Ų | 109.1 | 45% | 0.446 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65 | -40.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K125 L126 E127 L132 L133 | K125-A129 WeakPolarHBondContact O-CB 3.46Å; K125-A129 PolarHBondContact O-N 3.36Å; L126-A129 WeakPolarHBondContact O-CB 3.49Å; L126-A129 PolarHBondContact O-N 3.49Å; L126-A129 VanDerWaalsContact O-N 3.11Å; E127-A129 PolarHBondContact O-N 3Å; A129-L132 PolarHBondContact O-N 3.21Å; A129-L133 PolarHBondContact O-N 3.17Å; A129-L133 VanDerWaalsContact O-N 3.1Å |
| 130 | E | 97.1 | Very high | 93.8 | Very high | 118 Ų | 118 | 107.8 Ų | 107.8 | 55% | 0.551 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.8 | -45.2 | 174.4 | -72.9 | 177.8 | 177.8 | 0 | 0 | 111.5 | L126 E127 L132 L133 T134 | L126-E130 PolarHBondContact O-N 3.06Å; E127-E130 PolarHBondContact O-N 3.4Å; E130-L132 VanDerWaalsContact C-N 3.32Å; E130-L132 PolarHBondContact O-N 2.91Å; E130-L133 WeakPolarHBondContact O-CA 3.35Å; E130-L133 WeakPolarHBondContact O-CB 3.5Å; E130-L133 PolarHBondContact O-N 3.21Å; E130-T134 PolarHBondContact O-N 3.46Å; E130-T134 PolarHBondContact O-OG1 2.89Å |
| 131 | A | 96.8 | Very high | 94.1 | Very high | 55 Ų | 55 | 111 Ų | 111 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -57.3 | -44.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E127 A128 L133 T134 L135 | E127-A131 WeakPolarHBondContact O-CB 3.47Å; E127-A131 PolarHBondContact O-N 3.38Å; A128-A131 PolarHBondContact O-N 2.91Å; A131-L133 VanDerWaalsContact C-N 3.29Å; A131-L133 PolarHBondContact O-N 2.96Å; A131-T134 VanDerWaalsContact C-OG1 3.31Å; A131-T134 VanDerWaalsContact CA-OG1 3.27Å; A131-T134 WeakPolarHBondContact CA-OG1 3.42Å; A131-T134 PolarHBondContact O-N 3.13Å; A131-T134 PolarHBondContact O-OG1 3.27Å; A131-L135 PolarHBondContact O-N 3.33Å |
| 132 | L | 97.3 | Very high | 94.2 | Very high | 118 Ų | 118 | 112.2 Ų | 112.2 | 62% | 0.618 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.4 | -37.5 | 175 | -70.5 | 173.2 | 0 | 0 | 0 | 112.1 | A128 A129 E130 L135 R136 | A128-L132 WeakPolarHBondContact O-CG 3.27Å; A128-L132 PolarHBondContact O-N 3.3Å; A128-L132 VanDerWaalsContact O-N 3.1Å; A129-L132 PolarHBondContact O-N 3.21Å; E130-L132 VanDerWaalsContact C-N 3.32Å; E130-L132 PolarHBondContact O-N 2.91Å; L132-L135 PolarHBondContact O-N 3.35Å; L132-R136 WeakPolarHBondContact O-CB 3.47Å; L132-R136 PolarHBondContact O-N 3.24Å |
| 133 | L | 96.8 | Very high | 94 | Very high | 112 Ų | 112 | 108.7 Ų | 108.7 | 59% | 0.586 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.7 | -40.3 | 178.8 | -148.8 | 124.7 | 0 | 0 | 0 | 111.3 | A129 E130 A131 R136 N137 | A129-L133 PolarHBondContact O-N 3.17Å; A129-L133 VanDerWaalsContact O-N 3.1Å; E130-L133 WeakPolarHBondContact O-CA 3.35Å; E130-L133 WeakPolarHBondContact O-CB 3.5Å; E130-L133 PolarHBondContact O-N 3.21Å; A131-L133 VanDerWaalsContact C-N 3.29Å; A131-L133 PolarHBondContact O-N 2.96Å; L133-R136 PolarHBondContact O-N 3.04Å; L133-N137 VanDerWaalsContact O-CG 3.25Å; L133-N137 PolarHBondContact O-N 3.49Å; L133-N137 PolarHBondContact O-ND2 3.47Å |
| 134 | T | 95.1 | Very high | 93.8 | Very high | 97 Ų | 97 | 109.1 Ų | 109.1 | 60% | 0.595 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.1 | -43.7 | 171.5 | 24.6 | 0 | 0 | 0 | 0 | 112.7 | E130 A131 R136 N137 S138 | E130-T134 PolarHBondContact O-N 3.46Å; E130-T134 PolarHBondContact O-OG1 2.89Å; A131-T134 VanDerWaalsContact C-OG1 3.31Å; A131-T134 VanDerWaalsContact CA-OG1 3.27Å; A131-T134 WeakPolarHBondContact CA-OG1 3.42Å; A131-T134 PolarHBondContact O-N 3.13Å; A131-T134 PolarHBondContact O-OG1 3.27Å; T134-R136 VanDerWaalsContact C-N 3.28Å; T134-R136 PolarHBondContact O-N 3.12Å; T134-N137 PolarHBondContact O-N 2.97Å; T134-N137 VanDerWaalsContact O-N 3.12Å; T134-S138 PolarHBondContact O-N 3.11Å |
| 135 | L | 92.6 | Very high | 93.6 | Very high | 122 Ų | 122 | 107.1 Ų | 107.1 | 64% | 0.639 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.6 | -37 | 176.9 | 178.1 | 65.5 | 0 | 0 | 0 | 112.3 | A131 L132 N137 S138 | A131-L135 PolarHBondContact O-N 3.33Å; L132-L135 PolarHBondContact O-N 3.35Å; L135-N137 PolarHBondContact O-N 3.37Å; L135-S138 PolarHBondContact O-OG 3.42Å |
| 136 | R | 86.9 | Confident | 93.3 | Very high | 201 Ų | 201 | 105.5 Ų | 105.5 | 76% | 0.758 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.8 | -22.2 | 178.3 | -175.1 | -118.2 | 177.5 | -147.5 | 2.9 | 112.7 | L132 L133 T134 | L132-R136 WeakPolarHBondContact O-CB 3.47Å; L132-R136 PolarHBondContact O-N 3.24Å; L133-R136 PolarHBondContact O-N 3.04Å; T134-R136 VanDerWaalsContact C-N 3.28Å; T134-R136 PolarHBondContact O-N 3.12Å |
| 137 | N | 87.7 | Confident | 92.9 | Very high | 99 Ų | 99 | 108.8 Ų | 108.8 | 53% | 0.529 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.4 | 5.3 | -176.4 | -62.8 | -30.2 | 0 | 0 | 0 | 113.4 | L133 T134 L135 | L133-N137 VanDerWaalsContact O-CG 3.25Å; L133-N137 PolarHBondContact O-N 3.49Å; L133-N137 PolarHBondContact O-ND2 3.47Å; T134-N137 PolarHBondContact O-N 2.97Å; T134-N137 VanDerWaalsContact O-N 3.12Å; L135-N137 PolarHBondContact O-N 3.37Å |
| 138 | S | 72.8 | Confident | 92.5 | Very high | 143 Ų | 143 | 106.5 Ų | 106.5 | 100% | 1 | 60% | 0.601 | S | S | * | * | | | trans | -94.9 | 0 | 172.3 | 63.4 | 0 | 0 | 0 | 0 | 111.8 | T134 L135 | T134-S138 PolarHBondContact O-N 3.11Å; L135-S138 PolarHBondContact O-OG 3.42Å |