| 1 | K | 41.8 | Very low | 58.7 | Low | 268 Ų | 268 | 162 Ų | 162 | 100% | 1.165 | 84% | 0.843 | S | S | * | * | | | | 0 | 124.5 | 0 | -64.4 | -178.7 | 178.7 | -139 | 0 | 105.9 | | |
| 2 | S | 52.3 | Low | 59.3 | Low | 106 Ų | 106 | 158.5 Ų | 158.5 | 74% | 0.741 | 84% | 0.838 | S | S | * | * | | | cis | -158.2 | 138.4 | 0.2 | 46.6 | 0 | 0 | 0 | 0 | 104.7 | | |
| 3 | V | 51.3 | Low | 59.7 | Low | 151 Ų | 151 | 152.6 Ų | 152.6 | 92% | 0.915 | 82% | 0.817 | S | S | * | * | | | trans | -126.3 | 129.2 | 159.4 | 179.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 4 | Q | 59 | Low | 59.9 | Low | 173 Ų | 173 | 149.6 Ų | 149.6 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | | | trans | -70.8 | 129.1 | -163.4 | -74.4 | 148.4 | -36.6 | 0 | 0 | 112.5 | G6 | Q4-G6 PolarHBondContact O-N 3.14Å; Q4-G6 VanDerWaalsContact O-N 3.14Å |
| 5 | K | 62 | Low | 59.9 | Low | 217 Ų | 217 | 151.1 Ų | 151.1 | 94% | 0.943 | 81% | 0.806 | S | S | * | * | | | | 10.6 | 88.5 | 127.8 | -132.8 | 174.5 | -179.2 | -173.8 | 0 | 114.6 | | |
| 6 | G | 58.8 | Low | 60.1 | Low | 68 Ų | 68 | 148.4 Ų | 148.4 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | | | trans | -109.5 | 102.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q4 L8 | Q4-G6 PolarHBondContact O-N 3.14Å; Q4-G6 VanDerWaalsContact O-N 3.14Å; G6-L8 PolarHBondContact O-N 3.1Å; G6-L8 VanDerWaalsContact O-N 3.1Å |
| 7 | E | 61.9 | Low | 60 | Low | 201 Ų | 201 | 147.6 Ų | 147.6 | 94% | 0.939 | 79% | 0.788 | S | S | * | * | | | trans | -67 | 97.6 | 170.6 | -175.6 | 179.1 | 133.2 | 0 | 0 | 108.4 | | |
| 8 | L | 62.6 | Low | 60.2 | Low | 157 Ų | 157 | 145.3 Ų | 145.3 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | -105.3 | 97.5 | 177.1 | -130.4 | 152 | 0 | 0 | 0 | 108.7 | G6 | G6-L8 PolarHBondContact O-N 3.1Å; G6-L8 VanDerWaalsContact O-N 3.1Å |
| 9 | S | 64.3 | Low | 60.6 | Low | 82 Ų | 82 | 146.2 Ų | 146.2 | 57% | 0.573 | 78% | 0.778 | S | S | * | * | | | trans | 47.5 | 104 | 152.1 | 65.5 | 0 | 0 | 0 | 0 | 117.4 | S11 | S9-S11 PolarHBondContact O-N 2.91Å; S9-S11 VanDerWaalsContact O-N 3.13Å |
| 10 | R | 63.9 | Low | 60.8 | Low | 263 Ų | 263 | 146.4 Ų | 146.4 | 99% | 0.992 | 78% | 0.779 | S | S | * | * | | | trans | -51.9 | 110.3 | 153.4 | -148.6 | 179.9 | -160.7 | 178.2 | 4.3 | 109.5 | | |
| 11 | S | 68.1 | Low | 61 | Low | 96 Ų | 96 | 143.6 Ų | 143.6 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | | | trans | -137.9 | 135.7 | 157.3 | 62.2 | 0 | 0 | 0 | 0 | 108.6 | S9 S13 | S9-S11 PolarHBondContact O-N 2.91Å; S9-S11 VanDerWaalsContact O-N 3.13Å; S11-S13 PolarHBondContact O-N 3.42Å |
| 12 | P | 65.7 | Low | 61.9 | Low | 120 Ų | 120 | 140.5 Ų | 140.5 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | | | trans | -69 | 136.2 | -171 | 28.1 | -32.2 | 0 | 0 | 0 | 110 | | |
| 13 | S | 64.6 | Low | 62.5 | Low | 82 Ų | 82 | 137.9 Ų | 137.9 | 57% | 0.573 | 76% | 0.756 | S | S | * | * | | | trans | -51.2 | 120.8 | 168.9 | 151.2 | 0 | 0 | 0 | 0 | 109.3 | S11 F15 | S11-S13 PolarHBondContact O-N 3.42Å; S13-F15 PolarHBondContact O-N 2.9Å |
| 14 | P | 61.9 | Low | 63 | Low | 111 Ų | 111 | 138.9 Ų | 138.9 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -2.6 | -171.6 | 5.1 | 5.6 | 0 | 0 | 0 | 114.6 | | |
| 15 | F | 60.8 | Low | 63.4 | Low | 171 Ų | 171 | 142 Ų | 142 | 75% | 0.75 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.6 | 57.2 | -174.4 | -71.9 | -80.3 | 0 | 0 | 0 | 113.6 | S13 H17 | S13-F15 PolarHBondContact O-N 2.9Å; F15-H17 VanDerWaalsContact C-N 3.32Å; F15-H17 PolarHBondContact O-N 2.92Å |
| 16 | T | 62 | Low | 63.6 | Low | 108 Ų | 108 | 141 Ų | 141 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | | | trans | -90.2 | 77.1 | 149.5 | 55.4 | 0 | 0 | 0 | 0 | 108 | T18 | T16-T18 PolarHBondContact O-N 3.22Š|
| 17 | H | 59.7 | Low | 64.2 | Low | 136 Ų | 136 | 140.6 Ų | 140.6 | 63% | 0.63 | 74% | 0.735 | S | S | * | * | | | trans | -76.3 | 77.8 | 168.1 | -119.6 | -87 | 0 | 0 | 0 | 107.8 | F15 H19 | F15-H17 VanDerWaalsContact C-N 3.32Å; F15-H17 PolarHBondContact O-N 2.92Å; H17-H19 VanDerWaalsContact C-N 3.26Å; H17-H19 AromaticContact CE1-CE1 3.92Å; H17-H19 AromaticContact CE1-NE2 3.71Å; H17-H19 AromaticContact CG-NE2 3.77Å; H17-H19 AromaticContact ND1-CD2 3.58Å; H17-H19 AromaticContact ND1-CE1 3.42Å; H17-H19 PolarHBondContact ND1-CE1 3.46Å; H17-H19 AromaticContact ND1-NE2 2.91Å; H17-H19 PolarHBondContact ND1-NE2 2.94Å; H17-H19 PolarHBondContact O-N 3.13Å |
| 18 | T | 63.7 | Low | 64.6 | Low | 105 Ų | 105 | 135.9 Ų | 135.9 | 64% | 0.644 | 73% | 0.73 | S | S | * | * | | | trans | -63.3 | 90.6 | 163.9 | 42.7 | 0 | 0 | 0 | 0 | 107.8 | T16 L20 | T16-T18 PolarHBondContact O-N 3.22Å; T18-L20 PolarHBondContact O-N 3.49Å |
| 19 | H | 66.3 | Low | 65.2 | Low | 162 Ų | 162 | 136.6 Ų | 136.6 | 75% | 0.75 | 73% | 0.727 | S | S | * | * | | | trans | -76.9 | 68.3 | 162.8 | -75.8 | -77.6 | 0 | 0 | 0 | 108.7 | H17 | H17-H19 VanDerWaalsContact C-N 3.26Å; H17-H19 AromaticContact CE1-CE1 3.92Å; H17-H19 AromaticContact CE1-NE2 3.71Å; H17-H19 AromaticContact CG-NE2 3.77Å; H17-H19 AromaticContact ND1-CD2 3.58Å; H17-H19 AromaticContact ND1-CE1 3.42Å; H17-H19 PolarHBondContact ND1-CE1 3.46Å; H17-H19 AromaticContact ND1-NE2 2.91Å; H17-H19 PolarHBondContact ND1-NE2 2.94Å; H17-H19 PolarHBondContact O-N 3.13Å |
| 20 | L | 66.1 | Low | 65.8 | Low | 151 Ų | 151 | 142 Ų | 142 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | | | trans | -72.7 | 128.3 | 167.3 | -80.6 | 171.5 | 0 | 0 | 0 | 109 | T18 | T18-L20 PolarHBondContact O-N 3.49Š|
| 21 | A | 63.5 | Low | 66.3 | Low | 88 Ų | 88 | 136.3 Ų | 136.3 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | | | trans | 61.3 | 90.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | G23 | A21-G23 PolarHBondContact O-N 2.81Š|
| 22 | Q | 62.1 | Low | 66.7 | Low | 203 Ų | 203 | 140.3 Ų | 140.3 | 95% | 0.949 | 74% | 0.736 | S | S | * | * | | | trans | -68.7 | 57.4 | 141 | -166 | 174.9 | -4.1 | 0 | 0 | 108.9 | Y24 | Q22-Y24 VanDerWaalsContact C-N 3.28Å; Q22-Y24 PolarHBondContact O-N 3.05Å |
| 23 | G | 63.2 | Low | 67 | Low | 51 Ų | 51 | 140.4 Ų | 140.4 | 53% | 0.526 | 74% | 0.74 | S | S | . | * | | | trans | -74.7 | 90.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | A21 R25 | A21-G23 PolarHBondContact O-N 2.81Å; G23-R25 PolarHBondContact O-N 2.81Å |
| 24 | Y | 63.4 | Low | 67.2 | Low | 171 Ų | 171 | 141.8 Ų | 141.8 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | | | trans | -65.4 | 81.2 | 157.1 | -172.4 | -108.2 | 0 | 0 | 0 | 106.4 | Q22 R26 | Q22-Y24 VanDerWaalsContact C-N 3.28Å; Q22-Y24 PolarHBondContact O-N 3.05Å; Y24-R26 HydrophobicContact CD1-CB 3.66Å; Y24-R26 HydrophobicContact CD1-CG 4.16Å; Y24-R26 HydrophobicContact CE1-CB 3.4Å; Y24-R26 HydrophobicContact CE1-CG 3.38Å; Y24-R26 VanDerWaalsContact CE1-NE 3.34Å; Y24-R26 PolarHBondContact O-N 2.74Å |
| 25 | R | 65.8 | Low | 67.8 | Low | 239 Ų | 239 | 145.2 Ų | 145.2 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | | | trans | -68.7 | 84.6 | 162.2 | -67.7 | -131 | -96.7 | -160.7 | -5 | 104.3 | G23 G27 | G23-R25 PolarHBondContact O-N 2.81Å; R25-G27 PolarHBondContact O-N 2.76Å |
| 26 | R | 67.9 | Low | 68.2 | Low | 195 Ų | 195 | 145 Ų | 145 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | | | trans | -58.5 | 90.2 | 163.9 | -158.7 | -179.2 | -54.1 | -133.2 | -3.7 | 103.7 | Y24 A28 | Y24-R26 HydrophobicContact CD1-CB 3.66Å; Y24-R26 HydrophobicContact CD1-CG 4.16Å; Y24-R26 HydrophobicContact CE1-CB 3.4Å; Y24-R26 HydrophobicContact CE1-CG 3.38Å; Y24-R26 VanDerWaalsContact CE1-NE 3.34Å; Y24-R26 PolarHBondContact O-N 2.74Å; R26-A28 PolarHBondContact O-N 2.8Å; R26-A28 VanDerWaalsContact O-N 3.1Å |
| 27 | G | 69.8 | Low | 68.7 | Low | 60 Ų | 60 | 147.4 Ų | 147.4 | 62% | 0.619 | 77% | 0.766 | S | S | * | * | | | trans | -50.5 | 125.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 105.7 | R25 K29 | R25-G27 PolarHBondContact O-N 2.76Å; G27-K29 VanDerWaalsContact C-N 3.26Å; G27-K29 PolarHBondContact O-N 3.1Å |
| 28 | A | 70.6 | Confident | 69.2 | Low | 102 Ų | 102 | 148.5 Ų | 148.5 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | trans | -59.5 | 102.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 105.4 | R26 K30 | R26-A28 PolarHBondContact O-N 2.8Å; R26-A28 VanDerWaalsContact O-N 3.1Å; A28-K30 PolarHBondContact O-N 3.09Å |
| 29 | K | 75 | Confident | 69.4 | Low | 173 Ų | 173 | 147.6 Ų | 147.6 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 122.1 | 170.3 | 52.9 | 175.4 | -177.9 | 171.7 | 0 | 105.4 | G27 L31 | G27-K29 VanDerWaalsContact C-N 3.26Å; G27-K29 PolarHBondContact O-N 3.1Å; K29-L31 PolarHBondContact O-N 3.17Å; K29-L31 VanDerWaalsContact O-N 3.09Å |
| 30 | K | 78 | Confident | 69.4 | Low | 196 Ų | 196 | 143.4 Ų | 143.4 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 119.6 | 169.2 | -77.7 | -171.4 | 169.8 | -166.2 | 0 | 105.6 | A28 E32 | A28-K30 PolarHBondContact O-N 3.09Å; K30-E32 PolarHBondContact O-N 3.34Å |
| 31 | L | 74.8 | Confident | 69.3 | Low | 143 Ų | 143 | 144.6 Ų | 144.6 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 120.6 | 169.3 | -61.9 | 174.8 | 0 | 0 | 0 | 105.3 | K29 S33 | K29-L31 PolarHBondContact O-N 3.17Å; K29-L31 VanDerWaalsContact O-N 3.09Å; L31-S33 PolarHBondContact O-N 3.21Å |
| 32 | E | 75.5 | Confident | 69.4 | Low | 180 Ų | 180 | 148.2 Ų | 148.2 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -61 | 121.6 | 165 | -67 | 99.1 | 172.1 | 0 | 0 | 107.5 | K30 S34 | K30-E32 PolarHBondContact O-N 3.34Å; E32-S34 PolarHBondContact O-N 3.23Å |
| 33 | S | 71.8 | Confident | 70 | Confident | 121 Ų | 121 | 145.3 Ų | 145.3 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 121.7 | 171.4 | -58.7 | 0 | 0 | 0 | 0 | 108.1 | L31 E35 | L31-S33 PolarHBondContact O-N 3.21Å; S33-E35 PolarHBondContact O-N 3.28Å |
| 34 | S | 70.1 | Confident | 70.6 | Confident | 112 Ų | 112 | 152 Ų | 152 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 128.6 | 166.9 | 50.9 | 0 | 0 | 0 | 0 | 108.5 | E32 E36 | E32-S34 PolarHBondContact O-N 3.23Å; S34-E36 PolarHBondContact O-N 3.48Å |
| 35 | E | 74.4 | Confident | 71.5 | Confident | 183 Ų | 183 | 150.8 Ų | 150.8 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 124.1 | 170 | -175.5 | 156.1 | 97.2 | 0 | 0 | 109 | S33 N37 | S33-E35 PolarHBondContact O-N 3.28Å; E35-N37 PolarHBondContact O-N 3.42Å |
| 36 | E | 68.9 | Low | 72.2 | Confident | 167 Ų | 167 | 143.9 Ų | 143.9 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 120.1 | 170.5 | 53.4 | -160.4 | 134 | 0 | 0 | 108.2 | S34 L38 | S34-E36 PolarHBondContact O-N 3.48Å; E36-L38 PolarHBondContact O-N 3.22Å; E36-L38 VanDerWaalsContact O-N 3.12Å |
| 37 | N | 72.4 | Confident | 72.8 | Confident | 157 Ų | 157 | 137.3 Ų | 137.3 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 118.4 | 174.4 | -71.9 | -84.3 | 0 | 0 | 0 | 107.3 | E35 S39 | E35-N37 PolarHBondContact O-N 3.42Å; N37-S39 PolarHBondContact O-N 3.12Å |
| 38 | L | 69.6 | Low | 73.4 | Confident | 159 Ų | 159 | 142.5 Ų | 142.5 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 126.3 | 175.1 | -58.9 | 175.8 | 0 | 0 | 0 | 108.4 | E36 S40 | E36-L38 PolarHBondContact O-N 3.22Å; E36-L38 VanDerWaalsContact O-N 3.12Å; L38-S40 PolarHBondContact O-N 3.23Å |
| 39 | S | 67.7 | Low | 74 | Confident | 87 Ų | 87 | 144.4 Ų | 144.4 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 134.1 | -178 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | N37 E41 | N37-S39 PolarHBondContact O-N 3.12Å; S39-E41 PolarHBondContact O-N 3.1Å; S39-E41 VanDerWaalsContact OG-CG 3.3Å; S39-E41 WeakPolarHBondContact OG-CG 3.3Å |
| 40 | S | 67.5 | Low | 74.4 | Confident | 74 Ų | 74 | 142.1 Ų | 142.1 | 52% | 0.517 | 74% | 0.738 | S | S | . | * | | | trans | -70.2 | 42.9 | 179.9 | -51.3 | 0 | 0 | 0 | 0 | 113.2 | L38 D42 E43 | L38-S40 PolarHBondContact O-N 3.23Å; S40-D42 PolarHBondContact O-N 3.41Å; S40-E43 VanDerWaalsContact CB-OE2 3.22Å; S40-E43 WeakPolarHBondContact CB-OE2 3.24Å; S40-E43 PolarHBondContact O-N 2.94Å |
| 41 | E | 63.6 | Low | 74.6 | Confident | 176 Ų | 176 | 138.9 Ų | 138.9 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -9.2 | -173.4 | -61.4 | 178.3 | 93.5 | 0 | 0 | 113.5 | S39 | S39-E41 PolarHBondContact O-N 3.1Å; S39-E41 VanDerWaalsContact OG-CG 3.3Å; S39-E41 WeakPolarHBondContact OG-CG 3.3Å |
| 42 | D | 65.2 | Low | 74.9 | Confident | 164 Ų | 164 | 138 Ų | 138 | 88% | 0.877 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | 3.7 | 177.4 | -145.4 | -90 | 0 | 0 | 0 | 113.3 | S40 E44 | S40-D42 PolarHBondContact O-N 3.41Å; D42-E44 PolarHBondContact O-N 2.88Å |
| 43 | E | 74.2 | Confident | 75.2 | Confident | 142 Ų | 142 | 137.5 Ų | 137.5 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | | | trans | -73 | 112.7 | 172.7 | -72.9 | -176.5 | 146.4 | 0 | 0 | 110.2 | S40 L45 | S40-E43 VanDerWaalsContact CB-OE2 3.22Å; S40-E43 WeakPolarHBondContact CB-OE2 3.24Å; S40-E43 PolarHBondContact O-N 2.94Å; E43-L45 PolarHBondContact O-N 3.43Å |
| 44 | E | 77.1 | Confident | 75.3 | Confident | 192 Ų | 192 | 133.9 Ų | 133.9 | 90% | 0.897 | 70% | 0.702 | S | S | * | * | | | trans | -62.6 | 110.2 | 175.3 | -172.6 | 176.5 | 173.5 | 0 | 0 | 109.9 | D42 | D42-E44 PolarHBondContact O-N 2.88Š|
| 45 | L | 81.8 | Confident | 75.5 | Confident | 144 Ų | 144 | 136.6 Ų | 136.6 | 75% | 0.754 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 144.2 | 178.5 | -66.2 | 179 | 0 | 0 | 0 | 110.6 | E43 C47 | E43-L45 PolarHBondContact O-N 3.43Å; L45-C47 PolarHBondContact O-N 2.94Å |
| 46 | P | 80.8 | Confident | 75 | Confident | 94 Ų | 94 | 134.8 Ų | 134.8 | 61% | 0.61 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 128 | 176.8 | 24.6 | -33.5 | 0 | 0 | 0 | 109.8 | H50 | P46-H50 HydrophobicContact CB-CB 4.02Š|
| 47 | C | 80 | Confident | 74.9 | Confident | 57 Ų | 57 | 131.8 Ų | 131.8 | 39% | 0.385 | 69% | 0.69 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 153.6 | 175.9 | 82.6 | 0 | 0 | 0 | 0 | 110.9 | L45 Q49 H50 L51 | L45-C47 PolarHBondContact O-N 2.94Å; C47-Q49 PolarHBondContact O-N 3.45Å; C47-H50 WeakPolarHBondContact O-CA 2.94Å; C47-H50 WeakPolarHBondContact O-CB 2.9Å; C47-H50 PolarHBondContact O-N 3.22Å; C47-H50 VanDerWaalsContact SG-CE1 3.51Å; C47-H50 PolarHBondContact SG-ND1 3.28Å; C47-L51 PolarHBondContact O-N 3.4Å |
| 48 | F | 83.1 | Confident | 74.2 | Confident | 170 Ų | 170 | 131.7 Ų | 131.7 | 75% | 0.746 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -53.2 | -28.6 | -177.5 | -85.9 | -83.5 | 0 | 0 | 0 | 113.5 | L51 L52 | F48-L51 PolarHBondContact O-N 2.77Å; F48-L52 VanDerWaalsContact O-CG 3.3Å; F48-L52 WeakPolarHBondContact O-CG 3.3Å; F48-L52 PolarHBondContact O-N 2.82Å |
| 49 | Q | 83.4 | Confident | 73.5 | Confident | 142 Ų | 142 | 131.9 Ų | 131.9 | 66% | 0.664 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -66.6 | -38.6 | 176 | -56.9 | 170.9 | 17.5 | 0 | 0 | 111.6 | C47 L51 L52 F53 | C47-Q49 PolarHBondContact O-N 3.45Å; Q49-L51 VanDerWaalsContact C-N 3.27Å; Q49-L51 PolarHBondContact O-N 3.01Å; Q49-L52 PolarHBondContact O-N 3.06Å; Q49-F53 WeakPolarHBondContact O-CB 3.22Å; Q49-F53 WeakPolarHBondContact O-CD2 3.39Å; Q49-F53 PolarHBondContact O-N 2.96Å |
| 50 | H | 82.8 | Confident | 72.8 | Confident | 125 Ų | 125 | 133.7 Ų | 133.7 | 58% | 0.579 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -68.5 | -26 | 173.1 | -62.9 | 118.5 | 0 | 0 | 0 | 112.7 | P46 C47 G54 | P46-H50 HydrophobicContact CB-CB 4.02Å; C47-H50 WeakPolarHBondContact O-CA 2.94Å; C47-H50 WeakPolarHBondContact O-CB 2.9Å; C47-H50 PolarHBondContact O-N 3.22Å; C47-H50 VanDerWaalsContact SG-CE1 3.51Å; C47-H50 PolarHBondContact SG-ND1 3.28Å; H50-G54 WeakPolarHBondContact O-CA 3.39Å; H50-G54 PolarHBondContact O-N 3.19Å |
| 51 | L | 81.9 | Confident | 72.5 | Confident | 128 Ų | 128 | 136 Ų | 136 | 67% | 0.67 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -75.9 | -44.4 | 173.9 | -177.1 | 60.5 | 0 | 0 | 0 | 111.4 | C47 F48 Q49 | C47-L51 PolarHBondContact O-N 3.4Å; F48-L51 PolarHBondContact O-N 2.77Å; Q49-L51 VanDerWaalsContact C-N 3.27Å; Q49-L51 PolarHBondContact O-N 3.01Å |
| 52 | L | 81.9 | Confident | 71.6 | Confident | 125 Ų | 125 | 136.6 Ų | 136.6 | 65% | 0.654 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -71 | -36.4 | -179.4 | -68.7 | 173.7 | 0 | 0 | 0 | 112.7 | F48 Q49 | F48-L52 VanDerWaalsContact O-CG 3.3Å; F48-L52 WeakPolarHBondContact O-CG 3.3Å; F48-L52 PolarHBondContact O-N 2.82Å; Q49-L52 PolarHBondContact O-N 3.06Å |
| 53 | F | 81.8 | Confident | 71.5 | Confident | 169 Ų | 169 | 133.2 Ų | 133.2 | 74% | 0.741 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -121.5 | 21.3 | -172.7 | -52.9 | -67.2 | 0 | 0 | 0 | 112.4 | Q49 K55 | Q49-F53 WeakPolarHBondContact O-CB 3.22Å; Q49-F53 WeakPolarHBondContact O-CD2 3.39Å; Q49-F53 PolarHBondContact O-N 2.96Å; F53-K55 PolarHBondContact O-N 3.04Å; F53-K55 VanDerWaalsContact O-N 3.1Å |
| 54 | G | 74 | Confident | 70.6 | Confident | 45 Ų | 45 | 131.3 Ų | 131.3 | 46% | 0.464 | 71% | 0.706 | S | S | . | * | | | trans | -57 | 112.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | H50 V56 | H50-G54 WeakPolarHBondContact O-CA 3.39Å; H50-G54 PolarHBondContact O-N 3.19Å; G54-V56 PolarHBondContact O-N 3.21Å |
| 55 | K | 72.8 | Confident | 69.3 | Low | 169 Ų | 169 | 131.9 Ų | 131.9 | 74% | 0.735 | 70% | 0.7 | S | S | * | * | | | trans | 15.8 | 92.1 | 166 | -159.8 | 159.8 | -177.6 | 168.8 | 0 | 116.7 | F53 N57 | F53-K55 PolarHBondContact O-N 3.04Å; F53-K55 VanDerWaalsContact O-N 3.1Å; K55-N57 WeakPolarHBondContact CE-OD1 3.38Å; K55-N57 VanDerWaalsContact CG-OD1 3.24Å; K55-N57 WeakPolarHBondContact CG-OD1 3.46Å; K55-N57 PolarHBondContact O-N 3.05Å |
| 56 | V | 65.3 | Low | 67.5 | Low | 145 Ų | 145 | 132 Ų | 132 | 88% | 0.879 | 70% | 0.696 | S | S | * | * | | | trans | -80 | 93 | 159.4 | -175.9 | 0 | 0 | 0 | 0 | 108.1 | G54 | G54-V56 PolarHBondContact O-N 3.21Š|
| 57 | N | 65.7 | Low | 66.6 | Low | 103 Ų | 103 | 133.7 Ų | 133.7 | 55% | 0.551 | 71% | 0.71 | S | S | * | * | | | trans | -77.1 | 121.8 | 168.2 | -68 | -40.4 | 0 | 0 | 0 | 108.4 | K55 | K55-N57 WeakPolarHBondContact CE-OD1 3.38Å; K55-N57 VanDerWaalsContact CG-OD1 3.24Å; K55-N57 WeakPolarHBondContact CG-OD1 3.46Å; K55-N57 PolarHBondContact O-N 3.05Å |
| 58 | N | 57.8 | Low | 65.2 | Low | 156 Ų | 156 | 136.2 Ų | 136.2 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | | | trans | -176.5 | 45.7 | 144.2 | -88.5 | -37.6 | 0 | 0 | 0 | 114.1 | | |
| 59 | I | 54.4 | Low | 63.5 | Low | 163 Ų | 163 | 133.6 Ų | 133.6 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -150.3 | 134.5 | 154.3 | -44.6 | 175.4 | 0 | 0 | 0 | 109.9 | | |
| 60 | P | 54.6 | Low | 62.2 | Low | 124 Ų | 124 | 131.7 Ų | 131.7 | 81% | 0.805 | 73% | 0.731 | S | S | * | * | | | trans | -64.7 | 140.4 | 178.9 | -16.4 | 29.4 | 0 | 0 | 0 | 112.9 | | |
| 61 | S | 59.6 | Low | 60.7 | Low | 123 Ų | 123 | 131.6 Ų | 131.6 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | | | trans | -47.6 | 128.8 | -178.2 | -48.8 | 0 | 0 | 0 | 0 | 115.8 | | |
| 62 | Q | 46.1 | Very low | 59.4 | Low | 188 Ų | 188 | 132.6 Ų | 132.6 | 88% | 0.879 | 74% | 0.74 | S | S | * | * | | | trans | -133.2 | 88.9 | 141.3 | -153.8 | 176.2 | 28.7 | 0 | 0 | 105.6 | | |
| 63 | S | 62.4 | Low | 58.3 | Low | 93 Ų | 93 | 133 Ų | 133 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | | | | 57.8 | 132.1 | 95.6 | -173.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 64 | T | 55.2 | Low | 57.1 | Low | 102 Ų | 102 | 130.7 Ų | 130.7 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | | | trans | 97.7 | 110.5 | 151.4 | -56.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 65 | R | 49.9 | Very low | 56.1 | Low | 204 Ų | 204 | 139.8 Ų | 139.8 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | trans | 113.4 | 112.9 | 132.9 | -93.3 | 171.2 | -160.4 | -174.5 | 2 | 118.7 | | |
| 66 | H | 45.1 | Very low | 55 | Low | 146 Ų | 146 | 137.1 Ų | 137.1 | 68% | 0.676 | 77% | 0.765 | S | S | * | * | | | trans | 89.2 | 83 | 151.7 | -48.8 | -56.1 | 0 | 0 | 0 | 117.3 | T68 | H66-T68 PolarHBondContact O-N 3.33Š|
| 67 | S | 60.5 | Low | 54.6 | Low | 130 Ų | 130 | 138.4 Ų | 138.4 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | | | trans | -61.3 | 84.2 | 141.8 | 166.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 68 | T | 52 | Low | 54.2 | Low | 110 Ų | 110 | 144.3 Ų | 144.3 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | | | trans | -164.2 | 100.8 | 164.1 | -43.1 | 0 | 0 | 0 | 0 | 107.6 | H66 | H66-T68 PolarHBondContact O-N 3.33Š|
| 69 | V | 46.8 | Very low | 54.3 | Low | 115 Ų | 115 | 145.6 Ų | 145.6 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | | | trans | -166 | 102.7 | 137.2 | 176.6 | 0 | 0 | 0 | 0 | 105.6 | T71 | V69-T71 VanDerWaalsContact C-N 3.32Å; V69-T71 HydrophobicContact CG1-CG2 4.16Å; V69-T71 PolarHBondContact O-N 3.05Å |
| 70 | A | 56.5 | Low | 55.2 | Low | 103 Ų | 103 | 144.1 Ų | 144.1 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | | | trans | -61 | 100.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | E72 | A70-E72 PolarHBondContact O-N 3.4Š|
| 71 | T | 51.3 | Low | 55.5 | Low | 122 Ų | 122 | 147.4 Ų | 147.4 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | trans | -90.4 | 87.5 | 174.9 | -18.1 | 0 | 0 | 0 | 0 | 107.7 | V69 C73 | V69-T71 VanDerWaalsContact C-N 3.32Å; V69-T71 HydrophobicContact CG1-CG2 4.16Å; V69-T71 PolarHBondContact O-N 3.05Å; T71-C73 PolarHBondContact O-N 3.04Å |
| 72 | E | 53.7 | Low | 55.4 | Low | 149 Ų | 149 | 151.3 Ų | 151.3 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | | | trans | -31.8 | 111.6 | 155.1 | 174.9 | 176.9 | -149.4 | 0 | 0 | 111.2 | A70 L74 | A70-E72 PolarHBondContact O-N 3.4Å; E72-L74 HydrophobicContact CG-CB 4.09Å; E72-L74 HydrophobicContact CG-CD1 3.86Å; E72-L74 HydrophobicContact CG-CG 3.62Å; E72-L74 PolarHBondContact O-N 2.98Å; E72-L74 WeakPolarHBondContact OE1-CD1 2.96Å |
| 73 | C | 59.4 | Low | 56 | Low | 133 Ų | 133 | 154.6 Ų | 154.6 | 90% | 0.899 | 77% | 0.771 | S | S | * | * | | | trans | -77.2 | 78.2 | 171.1 | -171.8 | 0 | 0 | 0 | 0 | 108.5 | T71 | T71-C73 PolarHBondContact O-N 3.04Š|
| 74 | L | 56.6 | Low | 55.7 | Low | 121 Ų | 121 | 157.7 Ų | 157.7 | 63% | 0.634 | 78% | 0.777 | S | S | * | * | | | trans | -111.8 | 140.6 | 165.2 | -76.7 | -175.5 | 0 | 0 | 0 | 110.2 | E72 | E72-L74 HydrophobicContact CG-CB 4.09Å; E72-L74 HydrophobicContact CG-CD1 3.86Å; E72-L74 HydrophobicContact CG-CG 3.62Å; E72-L74 PolarHBondContact O-N 2.98Å; E72-L74 WeakPolarHBondContact OE1-CD1 2.96Å |
| 75 | R | 51.9 | Low | 55.7 | Low | 237 Ų | 237 | 160.6 Ų | 160.6 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | | | trans | 80.1 | 117.4 | 171.3 | -71.7 | 174.6 | 148.6 | 169.8 | -5.7 | 115.1 | | |
| 76 | T | 49.5 | Very low | 56 | Low | 113 Ų | 113 | 158.2 Ų | 158.2 | 69% | 0.693 | 79% | 0.786 | S | S | * | * | | | cis | -152.8 | 119.7 | 48 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | R78 | T76-R78 PolarHBondContact O-N 3.22Š|
| 77 | Q | 57.8 | Low | 56.7 | Low | 172 Ų | 172 | 158.9 Ų | 158.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -54.1 | 105.6 | 158.5 | -112.1 | -178 | -9.9 | 0 | 0 | 108.5 | R79 | Q77-R79 PolarHBondContact O-N 3.19Š|
| 78 | R | 56.7 | Low | 56.4 | Low | 227 Ų | 227 | 160.7 Ų | 160.7 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | trans | -89.5 | 92.1 | 162.4 | -79.8 | -173.2 | 167.1 | 157.3 | -2.4 | 108.1 | T76 I80 | T76-R78 PolarHBondContact O-N 3.22Å; R78-I80 PolarHBondContact O-N 2.94Å |
| 79 | R | 59.8 | Low | 56.7 | Low | 183 Ų | 183 | 164.1 Ų | 164.1 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | | | trans | -60.9 | 116.6 | 159.6 | -83.4 | 178.9 | 166.6 | 159.3 | -3.3 | 107.8 | Q77 Y81 | Q77-R79 PolarHBondContact O-N 3.19Å; R79-Y81 HydrophobicContact CB-CD2 4.46Å; R79-Y81 HydrophobicContact CB-CE2 4.16Å |
| 80 | I | 73 | Confident | 57.4 | Low | 132 Ų | 132 | 167.6 Ų | 167.6 | 68% | 0.677 | 80% | 0.799 | S | S | * | * | | | trans | -97.5 | 112 | 162.7 | 28.9 | 175.4 | 0 | 0 | 0 | 106.8 | R78 Y82 | R78-I80 PolarHBondContact O-N 2.94Å; I80-Y82 HydrophobicContact CD1-CE2 4.36Å |
| 81 | Y | 61.3 | Low | 57.5 | Low | 192 Ų | 192 | 172.5 Ų | 172.5 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | | | trans | -80.3 | 125.6 | 169.2 | -74.7 | -92.7 | 0 | 0 | 0 | 107.9 | R79 | R79-Y81 HydrophobicContact CB-CD2 4.46Å; R79-Y81 HydrophobicContact CB-CE2 4.16Å |
| 82 | Y | 57.6 | Low | 58 | Low | 205 Ų | 205 | 176.8 Ų | 176.8 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -89.5 | 134.1 | 166.6 | -72.6 | -86 | 0 | 0 | 0 | 108.6 | I80 | I80-Y82 HydrophobicContact CD1-CE2 4.36Š|
| 83 | H | 58.7 | Low | 58.4 | Low | 257 Ų | 257 | 179.3 Ų | 179.3 | 100% | 1.19 | 81% | 0.809 | S | S | * | * | | | trans | -75.8 | 0 | -179.7 | -170.5 | -45.6 | 0 | 0 | 0 | 111.4 | | |