| 1 | M | 46.4 | Very low | 60 | Low | 240 Ų | 240 | 162.1 Ų | 162.1 | 100% | 1.182 | 83% | 0.833 | S | S | * | * | | | | 0 | 141.3 | 0 | -66.8 | -171.5 | 179 | 0 | 0 | 108.1 | | |
| 2 | H | 56.6 | Low | 60.4 | Low | 183 Ų | 183 | 165.6 Ų | 165.6 | 85% | 0.847 | 84% | 0.838 | S | S | * | * | | | trans | 55 | 91.4 | -178.2 | -73.7 | -54.7 | 0 | 0 | 0 | 118.5 | | |
| 3 | R | 56.1 | Low | 60.3 | Low | 257 Ų | 257 | 166.7 Ų | 166.7 | 97% | 0.97 | 83% | 0.834 | S | S | * | * | | | trans | -95.4 | 105.4 | 152.7 | -93.3 | -176.9 | 166.1 | 155.8 | -3.4 | 107.6 | | |
| 4 | E | 64.2 | Low | 60.7 | Low | 179 Ų | 179 | 165.9 Ų | 165.9 | 84% | 0.836 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 135.8 | 177.3 | -60.8 | 177.7 | 134.3 | 0 | 0 | 110 | | |
| 5 | S | 67.1 | Low | 61 | Low | 102 Ų | 102 | 162.7 Ų | 162.7 | 71% | 0.713 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 141.3 | 176.5 | 74.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 6 | P | 66.1 | Low | 61.2 | Low | 112 Ų | 112 | 161.4 Ų | 161.4 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 143.2 | 179.2 | 24.1 | -31.7 | 0 | 0 | 0 | 111.2 | N8 | P6-N8 PolarHBondContact O-N 3.4Š|
| 7 | P | 66.3 | Low | 61.4 | Low | 121 Ų | 121 | 159.7 Ų | 159.7 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 130.9 | -177.4 | 25.4 | -32.7 | 0 | 0 | 0 | 110 | C9 | P7-C9 PolarHBondContact O-N 3.42Š|
| 8 | N | 60.9 | Low | 61.6 | Low | 139 Ų | 139 | 163.8 Ų | 163.8 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | | | trans | -52.7 | 108.3 | 178.4 | -162.3 | -29.1 | 0 | 0 | 0 | 109.1 | P6 M10 | P6-N8 PolarHBondContact O-N 3.4Å; N8-M10 VanDerWaalsContact C-N 3.26Å; N8-M10 PolarHBondContact O-N 3.35Å |
| 9 | C | 57.1 | Low | 62 | Low | 109 Ų | 109 | 164.1 Ų | 164.1 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | | | trans | -68.2 | 90 | 179.8 | -139.5 | 0 | 0 | 0 | 0 | 107.5 | P7 H11 | P7-C9 PolarHBondContact O-N 3.42Å; C9-H11 VanDerWaalsContact C-N 3.3Å; C9-H11 PolarHBondContact O-N 3.04Å |
| 10 | M | 59 | Low | 62.3 | Low | 158 Ų | 158 | 162.6 Ų | 162.6 | 78% | 0.778 | 81% | 0.809 | S | S | * | * | | | trans | -57.6 | 94.6 | 173.7 | -77.9 | -83.9 | 168.5 | 0 | 0 | 108 | N8 K12 | N8-M10 VanDerWaalsContact C-N 3.26Å; N8-M10 PolarHBondContact O-N 3.35Å; M10-K12 VanDerWaalsContact C-N 3.32Å; M10-K12 PolarHBondContact O-N 3.43Å |
| 11 | H | 60.7 | Low | 62.7 | Low | 183 Ų | 183 | 160.8 Ų | 160.8 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | | | trans | -58.4 | 99.1 | 168.4 | -93.1 | 92.1 | 0 | 0 | 0 | 107.4 | C9 K13 | C9-H11 VanDerWaalsContact C-N 3.3Å; C9-H11 PolarHBondContact O-N 3.04Å; H11-K13 VanDerWaalsContact C-N 3.27Å; H11-K13 PolarHBondContact O-N 3.46Å |
| 12 | K | 63.9 | Low | 63.4 | Low | 204 Ų | 204 | 159 Ų | 159 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | | | trans | -64.1 | 93.8 | 169.1 | -69.7 | -176.6 | 178.6 | -179.6 | 0 | 107 | M10 E14 | M10-K12 VanDerWaalsContact C-N 3.32Å; M10-K12 PolarHBondContact O-N 3.43Å; K12-E14 PolarHBondContact O-N 3.46Å |
| 13 | K | 60 | Low | 63.6 | Low | 180 Ų | 180 | 156.4 Ų | 156.4 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | | | trans | -66.4 | 114.2 | 176.9 | -149.6 | 173.7 | -172.7 | 175.4 | 0 | 107.3 | H11 | H11-K13 VanDerWaalsContact C-N 3.27Å; H11-K13 PolarHBondContact O-N 3.46Å |
| 14 | E | 64.8 | Low | 63.6 | Low | 156 Ų | 156 | 148.5 Ų | 148.5 | 73% | 0.729 | 76% | 0.755 | S | S | * | * | | | trans | -57.3 | 140.8 | 176.5 | -102.4 | -175.5 | 110.3 | 0 | 0 | 110.4 | K12 H16 | K12-E14 PolarHBondContact O-N 3.46Å; E14-H16 PolarHBondContact O-N 3.33Å |
| 15 | P | 66.2 | Low | 63.2 | Low | 118 Ų | 118 | 147.7 Ų | 147.7 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | | | trans | -65.8 | 107.2 | 174.6 | 26.4 | -31.4 | 0 | 0 | 0 | 109.2 | L17 | P15-L17 PolarHBondContact O-N 3.3Å; P15-L17 VanDerWaalsContact O-N 3.09Å |
| 16 | H | 63.5 | Low | 62.4 | Low | 141 Ų | 141 | 147.9 Ų | 147.9 | 65% | 0.653 | 75% | 0.753 | S | S | * | * | | | trans | -65.2 | 111.5 | 170.9 | -65.4 | -77.7 | 0 | 0 | 0 | 109.2 | E14 R18 | E14-H16 PolarHBondContact O-N 3.33Å; H16-R18 VanDerWaalsContact C-N 3.3Å; H16-R18 HydrophobicContact CB-CG 4.48Å; H16-R18 WeakPolarHBondContact O-CG 3.49Å; H16-R18 PolarHBondContact O-N 2.83Å |
| 17 | L | 65 | Low | 61.4 | Low | 133 Ų | 133 | 151.9 Ų | 151.9 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | | | trans | -64.5 | 92.1 | 166.3 | -78.1 | 159.4 | 0 | 0 | 0 | 108.4 | P15 K19 F21 | P15-L17 PolarHBondContact O-N 3.3Å; P15-L17 VanDerWaalsContact O-N 3.09Å; L17-K19 PolarHBondContact O-N 3.49Å; L17-K19 VanDerWaalsContact O-N 3.15Å; L17-F21 HydrophobicContact CD1-CE1 3.8Å; L17-F21 HydrophobicContact CD2-CE1 4.34Å; L17-F21 HydrophobicContact CD2-CD1 4.1Å; L17-F21 HydrophobicContact CD1-CD1 4.29Å |
| 18 | R | 64.9 | Low | 60.6 | Low | 233 Ų | 233 | 154.3 Ų | 154.3 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | | | trans | -70.5 | -5.6 | -172.8 | -69.7 | -173.6 | 179 | -161.1 | -1.1 | 114.4 | H16 | H16-R18 VanDerWaalsContact C-N 3.3Å; H16-R18 HydrophobicContact CB-CG 4.48Å; H16-R18 WeakPolarHBondContact O-CG 3.49Å; H16-R18 PolarHBondContact O-N 2.83Å |
| 19 | K | 69.6 | Low | 59.9 | Low | 169 Ų | 169 | 153.9 Ų | 153.9 | 74% | 0.735 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -143 | 142.1 | -179.5 | -66.6 | -176.1 | -178.8 | 178.4 | 0 | 109.9 | L17 F21 | L17-K19 PolarHBondContact O-N 3.49Å; L17-K19 VanDerWaalsContact O-N 3.15Å; K19-F21 PolarHBondContact O-N 3.24Å |
| 20 | P | 66.7 | Low | 59.3 | Low | 135 Ų | 135 | 153.9 Ų | 153.9 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | | | trans | -58.5 | 112.2 | 167.9 | 24.8 | -31.4 | 0 | 0 | 0 | 107.9 | | |
| 21 | F | 71.1 | Confident | 59 | Low | 125 Ų | 125 | 156 Ų | 156 | 55% | 0.548 | 77% | 0.769 | S | S | . | * | | | trans | -87.3 | 127.1 | 172.5 | 70 | -75.2 | 0 | 0 | 0 | 107.3 | L17 K19 L23 | L17-F21 HydrophobicContact CD1-CE1 3.8Å; L17-F21 HydrophobicContact CD2-CE1 4.34Å; L17-F21 HydrophobicContact CD2-CD1 4.1Å; L17-F21 HydrophobicContact CD1-CD1 4.29Å; K19-F21 PolarHBondContact O-N 3.24Å; F21-L23 HydrophobicContact CD2-CD1 4Å; F21-L23 HydrophobicContact CD2-CG 4.22Å; F21-L23 HydrophobicContact CE2-CD1 3.17Å; F21-L23 HydrophobicContact CE2-CG 3.65Å; F21-L23 HydrophobicContact CZ-CD1 3.63Å; F21-L23 PolarHBondContact O-N 3.48Å |
| 22 | K | 62.4 | Low | 58.4 | Low | 201 Ų | 201 | 155.5 Ų | 155.5 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | | | trans | -75 | 113.5 | 166.4 | -74.6 | 178.4 | 178.9 | 179.2 | 0 | 106.2 | P24 | K22-P24 WeakPolarHBondContact O-CD 3.42Š|
| 23 | L | 59.5 | Low | 57.6 | Low | 129 Ų | 129 | 152.9 Ų | 152.9 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | | | trans | -60.9 | 127.2 | 164.8 | -97 | 109.5 | 0 | 0 | 0 | 107.8 | F21 L25 | F21-L23 HydrophobicContact CD2-CD1 4Å; F21-L23 HydrophobicContact CD2-CG 4.22Å; F21-L23 HydrophobicContact CE2-CD1 3.17Å; F21-L23 HydrophobicContact CE2-CG 3.65Å; F21-L23 HydrophobicContact CZ-CD1 3.63Å; F21-L23 PolarHBondContact O-N 3.48Å; L23-L25 PolarHBondContact O-N 3.34Å |
| 24 | P | 56.7 | Low | 57.3 | Low | 91 Ų | 91 | 148.4 Ų | 148.4 | 59% | 0.591 | 76% | 0.756 | S | S | * | * | | | trans | -58.1 | 128.1 | 163.8 | -17 | 30.1 | 0 | 0 | 0 | 108.2 | K22 T26 | K22-P24 WeakPolarHBondContact O-CD 3.42Å; P24-T26 HydrophobicContact CB-CG2 3.8Å; P24-T26 PolarHBondContact O-N 3.29Å; P24-T26 PolarHBondContact O-OG1 3.16Å |
| 25 | L | 54.8 | Low | 56.6 | Low | 163 Ų | 163 | 146.1 Ų | 146.1 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | | | trans | -72 | 67.2 | 165.4 | -83.8 | 153 | 0 | 0 | 0 | 108.4 | L23 Y27 | L23-L25 PolarHBondContact O-N 3.34Å; L25-Y27 PolarHBondContact O-N 3.26Å |
| 26 | T | 50.3 | Low | 56.1 | Low | 105 Ų | 105 | 146.4 Ų | 146.4 | 64% | 0.644 | 75% | 0.747 | S | S | * | * | | | trans | -94.1 | 70.9 | 175.9 | 43.3 | 0 | 0 | 0 | 0 | 109.2 | P24 | P24-T26 HydrophobicContact CB-CG2 3.8Å; P24-T26 PolarHBondContact O-N 3.29Å; P24-T26 PolarHBondContact O-OG1 3.16Å |
| 27 | Y | 46.1 | Very low | 55.4 | Low | 196 Ų | 196 | 144.5 Ų | 144.5 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | | | trans | -146.1 | 63.7 | 162.6 | -69.5 | -77.4 | 0 | 0 | 0 | 109.2 | L25 | L25-Y27 PolarHBondContact O-N 3.26Š|
| 28 | L | 49.7 | Very low | 54.8 | Low | 173 Ų | 173 | 147 Ų | 147 | 91% | 0.906 | 75% | 0.747 | S | S | * | * | | | trans | -132.8 | 51.1 | 167.6 | -88.4 | 159.9 | 0 | 0 | 0 | 108.4 | | |
| 29 | T | 47 | Very low | 54.1 | Low | 129 Ų | 129 | 145.7 Ų | 145.7 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -101.4 | 125.7 | 162.3 | 57.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 30 | S | 44 | Very low | 53.2 | Low | 110 Ų | 110 | 148.7 Ų | 148.7 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -34.9 | 133.1 | -172.5 | 62.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 31 | K | 51.3 | Low | 52.4 | Low | 203 Ų | 203 | 148.4 Ų | 148.4 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 86.2 | 29.2 | 158.6 | -56.4 | -174.4 | 177.7 | -177.4 | 0 | 120.3 | | |
| 32 | Q | 48.5 | Very low | 51.5 | Low | 172 Ų | 172 | 148.1 Ų | 148.1 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | trans | -135.1 | 112.1 | 153.7 | -84.2 | -178.2 | 4.3 | 0 | 0 | 110.3 | T34 | Q32-T34 VanDerWaalsContact C-N 3.3Å; Q32-T34 PolarHBondContact O-N 3.32Å |
| 33 | T | 48.5 | Very low | 50.9 | Low | 149 Ų | 149 | 143.3 Ų | 143.3 | 91% | 0.914 | 73% | 0.733 | S | S | * | * | | | trans | -73.7 | 84.9 | 168.2 | 22.4 | 0 | 0 | 0 | 0 | 108.8 | S35 | T33-S35 PolarHBondContact O-N 3.35Š|
| 34 | T | 53.6 | Low | 50.3 | Low | 85 Ų | 85 | 141.4 Ų | 141.4 | 52% | 0.521 | 73% | 0.73 | S | S | . | * | | | trans | -85.6 | 102.2 | 168.6 | -39 | 0 | 0 | 0 | 0 | 108.1 | Q32 F36 | Q32-T34 VanDerWaalsContact C-N 3.3Å; Q32-T34 PolarHBondContact O-N 3.32Å; T34-F36 WeakPolarHBondContact O-CD2 3.46Å; T34-F36 PolarHBondContact O-N 2.99Å; T34-F36 HydrophobicContact CG2-CE2 4.11Å; T34-F36 HydrophobicContact CG2-CE1 4.43Å; T34-F36 HydrophobicContact CG2-CZ 3.98Å |
| 35 | S | 50.1 | Low | 50.3 | Low | 109 Ų | 109 | 144.6 Ų | 144.6 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | | | trans | -75.6 | 111.5 | 172.9 | -62.3 | 0 | 0 | 0 | 0 | 109.5 | T33 | T33-S35 PolarHBondContact O-N 3.35Š|
| 36 | F | 55.6 | Low | 50.4 | Low | 123 Ų | 123 | 142.3 Ų | 142.3 | 54% | 0.539 | 73% | 0.734 | S | S | . | * | | | trans | -87.8 | 111.3 | 170.9 | -66.5 | -83.4 | 0 | 0 | 0 | 109.6 | T34 Y38 | T34-F36 WeakPolarHBondContact O-CD2 3.46Å; T34-F36 PolarHBondContact O-N 2.99Å; T34-F36 HydrophobicContact CG2-CE2 4.11Å; T34-F36 HydrophobicContact CG2-CE1 4.43Å; T34-F36 HydrophobicContact CG2-CZ 3.98Å; F36-Y38 HydrophobicContact CB-CE2 3.74Å; F36-Y38 PolarHBondContact O-N 2.97Å; F36-Y38 HydrophobicContact CB-CD2 4.35Å |
| 37 | T | 47.4 | Very low | 50.5 | Low | 101 Ų | 101 | 143 Ų | 143 | 62% | 0.62 | 73% | 0.733 | S | S | * | * | | | trans | -83.9 | 106.6 | 169.7 | -53.6 | 0 | 0 | 0 | 0 | 108.9 | Y39 | T37-Y39 HydrophobicContact CG2-CD2 4.24Å; T37-Y39 HydrophobicContact CG2-CE1 4.05Å; T37-Y39 HydrophobicContact CG2-CE2 3.71Å; T37-Y39 PolarHBondContact O-N 3.4Å |
| 38 | Y | 52.2 | Low | 50.9 | Low | 187 Ų | 187 | 139 Ų | 139 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | | | trans | -84.5 | 107.9 | 173 | -65.4 | -84.5 | 0 | 0 | 0 | 109.6 | F36 | F36-Y38 HydrophobicContact CB-CE2 3.74Å; F36-Y38 PolarHBondContact O-N 2.97Å; F36-Y38 HydrophobicContact CB-CD2 4.35Å |
| 39 | Y | 50.5 | Low | 51.3 | Low | 205 Ų | 205 | 135.3 Ų | 135.3 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | | | trans | -82.2 | 119.6 | 167.5 | -64.3 | -78.6 | 0 | 0 | 0 | 109.4 | T37 L41 | T37-Y39 HydrophobicContact CG2-CD2 4.24Å; T37-Y39 HydrophobicContact CG2-CE1 4.05Å; T37-Y39 HydrophobicContact CG2-CE2 3.71Å; T37-Y39 PolarHBondContact O-N 3.4Å; Y39-L41 PolarHBondContact O-N 3.03Å |
| 40 | R | 50.6 | Low | 51.6 | Low | 231 Ų | 231 | 136.6 Ų | 136.6 | 87% | 0.872 | 72% | 0.719 | S | S | * | * | | | trans | -83.3 | 95.7 | 177.4 | -147.8 | -177.7 | -169.2 | -106.6 | 1.6 | 108.6 | T42 | R40-T42 PolarHBondContact O-N 3.16Š|
| 41 | L | 50.6 | Low | 52.1 | Low | 129 Ų | 129 | 138.4 Ų | 138.4 | 68% | 0.675 | 72% | 0.719 | S | S | * | * | | | trans | -76.1 | 108.9 | 174 | -160.9 | 83.6 | 0 | 0 | 0 | 109.4 | Y39 L43 I52 | Y39-L41 PolarHBondContact O-N 3.03Å; L41-L43 PolarHBondContact O-N 3.33Å; L41-I52 HydrophobicContact CD2-CD1 3.14Å |
| 42 | T | 51.7 | Low | 52.3 | Low | 120 Ų | 120 | 133.4 Ų | 133.4 | 74% | 0.736 | 70% | 0.701 | S | S | * | * | | | trans | -76.3 | 104.6 | 169.9 | 42.1 | 0 | 0 | 0 | 0 | 109.3 | R40 S44 | R40-T42 PolarHBondContact O-N 3.16Å; T42-S44 PolarHBondContact O-N 3.15Å |
| 43 | L | 49.7 | Very low | 52.7 | Low | 100 Ų | 100 | 130.3 Ų | 130.3 | 52% | 0.524 | 69% | 0.689 | S | S | . | * | | | trans | -76.8 | 111.9 | 172.3 | -167.4 | 85.9 | 0 | 0 | 0 | 109.2 | L41 P49 | L41-L43 PolarHBondContact O-N 3.33Å; L43-P49 HydrophobicContact CD1-CB 4.49Å; L43-P49 HydrophobicContact CD2-CB 3.98Å |
| 44 | S | 48.5 | Very low | 53.1 | Low | 88 Ų | 88 | 128.7 Ų | 128.7 | 62% | 0.615 | 68% | 0.675 | S | S | * | * | | | trans | -78.9 | 120.6 | 169 | -173 | 0 | 0 | 0 | 0 | 109.1 | T42 T46 | T42-S44 PolarHBondContact O-N 3.15Å; S44-T46 PolarHBondContact O-N 3.01Å; S44-T46 PolarHBondContact OG-OG1 3.3Å |
| 45 | I | 55 | Low | 52.9 | Low | 158 Ų | 158 | 133.9 Ų | 133.9 | 81% | 0.81 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 0 | -171.7 | -60.8 | 167.8 | 0 | 0 | 0 | 112.9 | N47 | I45-N47 PolarHBondContact O-N 2.88Š|
| 46 | T | 57.2 | Low | 53.1 | Low | 116 Ų | 116 | 137.3 Ų | 137.3 | 71% | 0.712 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -15.9 | -179.9 | 39.6 | 0 | 0 | 0 | 0 | 114.5 | S44 | S44-T46 PolarHBondContact O-N 3.01Å; S44-T46 PolarHBondContact OG-OG1 3.3Å |
| 47 | N | 52.7 | Low | 52.9 | Low | 118 Ų | 118 | 141.7 Ų | 141.7 | 63% | 0.631 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -124.6 | 143.3 | 174.8 | -70.8 | -57.8 | 0 | 0 | 0 | 109.8 | I45 | I45-N47 PolarHBondContact O-N 2.88Š|
| 48 | P | 54.4 | Low | 53.1 | Low | 113 Ų | 113 | 142.8 Ų | 142.8 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | | | trans | -54.5 | 133.4 | 175 | 23.3 | -32.5 | 0 | 0 | 0 | 109.3 | L50 | P48-L50 PolarHBondContact O-N 3.09Š|
| 49 | P | 57.2 | Low | 53.4 | Low | 96 Ų | 96 | 140.1 Ų | 140.1 | 62% | 0.623 | 71% | 0.711 | S | S | * | * | | | trans | -61 | 110.3 | -176.4 | 21 | -30.2 | 0 | 0 | 0 | 110 | L43 L51 | L43-P49 HydrophobicContact CD1-CB 4.49Å; L43-P49 HydrophobicContact CD2-CB 3.98Å; P49-L51 PolarHBondContact O-N 3Å |
| 50 | L | 53.7 | Low | 53.7 | Low | 156 Ų | 156 | 135.7 Ų | 135.7 | 82% | 0.817 | 71% | 0.706 | S | S | * | * | | | trans | -61.3 | 123.9 | 163 | -74.4 | 165.2 | 0 | 0 | 0 | 107.4 | P48 I52 | P48-L50 PolarHBondContact O-N 3.09Å; L50-I52 WeakPolarHBondContact O-CG1 3.47Å; L50-I52 PolarHBondContact O-N 3.21Å |
| 51 | L | 55 | Low | 54 | Low | 147 Ų | 147 | 131.2 Ų | 131.2 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | | | trans | -56.6 | 107.9 | 177.8 | -175.9 | 72.7 | 0 | 0 | 0 | 109.7 | P49 I53 | P49-L51 PolarHBondContact O-N 3Å; L51-I53 HydrophobicContact CD2-CG1 4.32Å; L51-I53 HydrophobicContact CG-CG1 4.37Å; L51-I53 PolarHBondContact O-N 2.85Å |
| 52 | I | 56 | Low | 53.9 | Low | 99 Ų | 99 | 130.8 Ų | 130.8 | 51% | 0.508 | 70% | 0.702 | S | S | . | * | | | trans | -84.7 | 102.8 | 176 | -55.4 | -179.4 | 0 | 0 | 0 | 107.9 | L41 L50 N54 | L41-I52 HydrophobicContact CD2-CD1 3.14Å; L50-I52 WeakPolarHBondContact O-CG1 3.47Å; L50-I52 PolarHBondContact O-N 3.21Å; I52-N54 PolarHBondContact O-N 2.85Å |
| 53 | I | 56.3 | Low | 54 | Low | 107 Ų | 107 | 130.8 Ų | 130.8 | 55% | 0.549 | 70% | 0.702 | S | S | . | * | | | trans | -78.6 | 108.5 | 170 | -59.2 | 174 | 0 | 0 | 0 | 107 | L51 Y55 | L51-I53 HydrophobicContact CD2-CG1 4.32Å; L51-I53 HydrophobicContact CG-CG1 4.37Å; L51-I53 PolarHBondContact O-N 2.85Å; I53-Y55 HydrophobicContact CG2-CE2 3.8Å; I53-Y55 VanDerWaalsContact O-N 3.16Å; I53-Y55 PolarHBondContact O-N 2.82Å; I53-Y55 HydrophobicContact CG2-CD2 4.15Å; I53-Y55 HydrophobicContact CB-CE2 4.2Å |
| 54 | N | 56.2 | Low | 53.7 | Low | 115 Ų | 115 | 137.7 Ų | 137.7 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | | | trans | -70.9 | 105.4 | 172.3 | -71.2 | -48.5 | 0 | 0 | 0 | 109.1 | I52 F56 | I52-N54 PolarHBondContact O-N 2.85Å; N54-F56 HydrophobicContact CB-CD2 4.47Å; N54-F56 HydrophobicContact CB-CE2 3.87Å; N54-F56 HydrophobicContact CB-CZ 4.11Å; N54-F56 PolarHBondContact O-N 2.81Å |
| 55 | Y | 50.6 | Low | 54 | Low | 194 Ų | 194 | 140.2 Ų | 140.2 | 76% | 0.761 | 74% | 0.743 | S | S | * | * | | | trans | -81.6 | 109.6 | 165.3 | -74 | -87 | 0 | 0 | 0 | 108.5 | I53 Y57 | I53-Y55 HydrophobicContact CG2-CE2 3.8Å; I53-Y55 VanDerWaalsContact O-N 3.16Å; I53-Y55 PolarHBondContact O-N 2.82Å; I53-Y55 HydrophobicContact CG2-CD2 4.15Å; I53-Y55 HydrophobicContact CB-CE2 4.2Å; Y55-Y57 PolarHBondContact O-N 2.98Å |
| 56 | F | 54.1 | Low | 53.9 | Low | 181 Ų | 181 | 139.2 Ų | 139.2 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | | | trans | -83.7 | 109.1 | 170 | -64.3 | -82.8 | 0 | 0 | 0 | 108.6 | N54 | N54-F56 HydrophobicContact CB-CD2 4.47Å; N54-F56 HydrophobicContact CB-CE2 3.87Å; N54-F56 HydrophobicContact CB-CZ 4.11Å; N54-F56 PolarHBondContact O-N 2.81Å |
| 57 | Y | 51.7 | Low | 53.7 | Low | 215 Ų | 215 | 140.5 Ų | 140.5 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | | | trans | -77.9 | 117.1 | 162.3 | -97.6 | -90 | 0 | 0 | 0 | 108.3 | Y55 | Y55-Y57 PolarHBondContact O-N 2.98Š|
| 58 | V | 50.4 | Low | 53.8 | Low | 124 Ų | 124 | 141.8 Ų | 141.8 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | | | trans | -89 | 103.9 | 167 | 179.9 | 0 | 0 | 0 | 0 | 106.9 | T60 | V58-T60 HydrophobicContact CG1-CG2 4.22Š|
| 59 | T | 58.4 | Low | 53.7 | Low | 130 Ų | 130 | 143.6 Ų | 143.6 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | | | trans | -92.7 | 106.1 | 167.2 | 37.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 60 | T | 57.2 | Low | 53.5 | Low | 112 Ų | 112 | 146.8 Ų | 146.8 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | | | trans | -85.3 | 106.4 | 165.5 | 49 | 0 | 0 | 0 | 0 | 108.2 | V58 T62 | V58-T60 HydrophobicContact CG1-CG2 4.22Å; T60-T62 PolarHBondContact O-N 3.35Å |
| 61 | D | 57.9 | Low | 53.5 | Low | 137 Ų | 137 | 146.1 Ų | 146.1 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | | | trans | -80.5 | 107.8 | 166.1 | -169.8 | 17.3 | 0 | 0 | 0 | 108.1 | | |
| 62 | T | 48.5 | Very low | 53.4 | Low | 120 Ų | 120 | 146.1 Ų | 146.1 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | | | trans | -93.6 | 92.1 | 172.9 | 46.3 | 0 | 0 | 0 | 0 | 108 | T60 | T60-T62 PolarHBondContact O-N 3.35Š|
| 63 | T | 53.3 | Low | 53.2 | Low | 121 Ų | 121 | 150 Ų | 150 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | | | trans | -89.4 | 130 | 162.7 | 28.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 64 | I | 43.4 | Very low | 52.9 | Low | 244 Ų | 244 | 153.9 Ų | 153.9 | 100% | 1.251 | 79% | 0.792 | S | S | * | * | | | trans | -64.8 | 0 | -170.1 | -52.8 | 161.9 | 0 | 0 | 0 | 111.4 | | |