| 1 | M | 47.3 | Very low | 58.1 | Low | 249 Ų | 249 | 147.4 Ų | 147.4 | 100% | 1.227 | 85% | 0.85 | S | S | * | * | | | | 0 | 90.4 | 0 | -68.5 | -64.1 | -144.3 | 0 | 0 | 107.1 | | |
| 2 | A | 53.1 | Low | 58.3 | Low | 104 Ų | 104 | 146.6 Ų | 146.6 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | | | trans | -106.4 | 117.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | S4 | A2-S4 PolarHBondContact O-N 3.47Š|
| 3 | S | 49.1 | Very low | 58.4 | Low | 121 Ų | 121 | 148.1 Ų | 148.1 | 85% | 0.846 | 84% | 0.837 | S | S | * | * | | | trans | -70.2 | 115.3 | 176.8 | -166.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 4 | S | 62.1 | Low | 58.6 | Low | 112 Ų | 112 | 148 Ų | 148 | 78% | 0.783 | 83% | 0.827 | S | S | * | * | | | trans | -76.7 | 135.9 | 170.8 | 53.6 | 0 | 0 | 0 | 0 | 109.5 | A2 | A2-S4 PolarHBondContact O-N 3.47Š|
| 5 | E | 64.6 | Low | 58.8 | Low | 190 Ų | 190 | 146.7 Ų | 146.7 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | | | trans | -60.8 | 135.9 | -171.5 | -64.4 | 156.6 | 126 | 0 | 0 | 112.3 | S7 | E5-S7 PolarHBondContact O-N 2.89Š|
| 6 | D | 60 | Low | 59.2 | Low | 164 Ų | 164 | 145.3 Ų | 145.3 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | | | trans | -66.9 | 111.8 | 174.3 | -161.1 | 8.6 | 0 | 0 | 0 | 109.2 | | |
| 7 | S | 57.6 | Low | 59.2 | Low | 111 Ų | 111 | 143.3 Ų | 143.3 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | | | trans | -152.1 | 85.3 | 161.8 | -167.1 | 0 | 0 | 0 | 0 | 108.3 | E5 | E5-S7 PolarHBondContact O-N 2.89Š|
| 8 | G | 59.6 | Low | 59.5 | Low | 61 Ų | 61 | 143.1 Ų | 143.1 | 63% | 0.629 | 81% | 0.81 | S | S | * | * | | | trans | -60.7 | 150.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V10 | G8-V10 PolarHBondContact O-N 3.24Š|
| 9 | Y | 61.1 | Low | 59.8 | Low | 227 Ų | 227 | 145.3 Ų | 145.3 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | | | trans | -76 | 116.5 | 168.3 | -63.4 | -83.7 | 0 | 0 | 0 | 109.1 | L11 | Y9-L11 PolarHBondContact O-N 3.03Š|
| 10 | V | 62.5 | Low | 60.3 | Low | 122 Ų | 122 | 144.3 Ų | 144.3 | 74% | 0.739 | 81% | 0.81 | S | S | * | * | | | trans | -78.7 | 107.7 | 164.5 | -178.8 | 0 | 0 | 0 | 0 | 106.9 | G8 Q12 | G8-V10 PolarHBondContact O-N 3.24Å; V10-Q12 VanDerWaalsContact C-N 3.27Å; V10-Q12 HydrophobicContact CG1-CG 4.11Å; V10-Q12 PolarHBondContact O-N 3.18Å |
| 11 | L | 61.8 | Low | 60.9 | Low | 160 Ų | 160 | 146.4 Ų | 146.4 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | | | trans | -71.6 | 88.6 | 168.2 | -68.2 | 173.7 | 0 | 0 | 0 | 107.9 | Y9 N13 | Y9-L11 PolarHBondContact O-N 3.03Å; L11-N13 PolarHBondContact O-N 3.4Å |
| 12 | Q | 60.8 | Low | 62 | Low | 138 Ų | 138 | 140 Ų | 140 | 65% | 0.645 | 79% | 0.79 | S | S | * | * | | | trans | -66.8 | 125.2 | 164.4 | -76.7 | 177.4 | -17.7 | 0 | 0 | 107.4 | V10 E14 | V10-Q12 VanDerWaalsContact C-N 3.27Å; V10-Q12 HydrophobicContact CG1-CG 4.11Å; V10-Q12 PolarHBondContact O-N 3.18Å; Q12-E14 HydrophobicContact CB-CG 3.94Å; Q12-E14 PolarHBondContact O-N 3.17Å; Q12-E14 PolarHBondContact OE1-OE1 3.11Å |
| 13 | N | 59.3 | Low | 63.1 | Low | 166 Ų | 166 | 141.4 Ų | 141.4 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | | | trans | -64.1 | 73.7 | 171.9 | -75.8 | -13.7 | 0 | 0 | 0 | 109.3 | L11 | L11-N13 PolarHBondContact O-N 3.4Š|
| 14 | E | 61.9 | Low | 64.7 | Low | 147 Ų | 147 | 143.2 Ų | 143.2 | 69% | 0.687 | 78% | 0.783 | S | S | * | * | | | trans | -90.4 | 116.1 | 176.5 | -64.4 | -164.8 | 156.9 | 0 | 0 | 108.9 | Q12 V16 | Q12-E14 HydrophobicContact CB-CG 3.94Å; Q12-E14 PolarHBondContact O-N 3.17Å; Q12-E14 PolarHBondContact OE1-OE1 3.11Å; E14-V16 PolarHBondContact O-N 2.59Å; E14-V16 VanDerWaalsContact O-N 3.09Å |
| 15 | V | 62 | Low | 65.7 | Low | 128 Ų | 128 | 143.6 Ų | 143.6 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -61.6 | 109.3 | 175.5 | 176.7 | 0 | 0 | 0 | 0 | 107.9 | C17 | V15-C17 PolarHBondContact O-N 3.25Š|
| 16 | V | 63.8 | Low | 66.7 | Low | 125 Ų | 125 | 140.8 Ų | 140.8 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | | | trans | -72.4 | 97.5 | 173.5 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | E14 I18 | E14-V16 PolarHBondContact O-N 2.59Å; E14-V16 VanDerWaalsContact O-N 3.09Å; V16-I18 PolarHBondContact O-N 2.76Å; V16-I18 HydrophobicContact CG1-CG1 4.12Å |
| 17 | C | 59.1 | Low | 68 | Low | 111 Ų | 111 | 140.1 Ų | 140.1 | 75% | 0.75 | 77% | 0.774 | S | S | * | * | | | trans | -72.8 | 101.4 | 168.9 | -67.4 | 0 | 0 | 0 | 0 | 109 | V15 E19 | V15-C17 PolarHBondContact O-N 3.25Å; C17-E19 PolarHBondContact O-N 3.14Å |
| 18 | I | 65.8 | Low | 69.6 | Low | 140 Ų | 140 | 141 Ų | 141 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | | | trans | -79.5 | 110.2 | 169.6 | -57.4 | 175 | 0 | 0 | 0 | 107.3 | V16 T20 | V16-I18 PolarHBondContact O-N 2.76Å; V16-I18 HydrophobicContact CG1-CG1 4.12Å; I18-T20 PolarHBondContact O-N 3.45Å |
| 19 | E | 65 | Low | 71.2 | Confident | 185 Ų | 185 | 146.3 Ų | 146.3 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | | | trans | -62.5 | 98.6 | 168.5 | -70.1 | -176.7 | 165.7 | 0 | 0 | 109.2 | C17 K21 | C17-E19 PolarHBondContact O-N 3.14Å; E19-K21 PolarHBondContact O-N 3.18Å |
| 20 | T | 68.9 | Low | 72.6 | Confident | 124 Ų | 124 | 141.6 Ų | 141.6 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | | | trans | -68.7 | 117.8 | 165.3 | 56.2 | 0 | 0 | 0 | 0 | 107.3 | I18 S22 | I18-T20 PolarHBondContact O-N 3.45Å; T20-S22 PolarHBondContact O-N 3.46Å |
| 21 | K | 74.5 | Confident | 74.1 | Confident | 190 Ų | 190 | 147 Ų | 147 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | | | trans | -46.8 | 133.9 | 169.2 | -67.8 | -177.3 | 178.3 | -179.6 | 0 | 108.6 | E19 V23 | E19-K21 PolarHBondContact O-N 3.18Å; K21-V23 WeakPolarHBondContact O-CG2 3.43Å; K21-V23 PolarHBondContact O-N 3.33Å |
| 22 | S | 69.5 | Low | 75.7 | Confident | 113 Ų | 113 | 147.8 Ų | 147.8 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | | | trans | -52 | 103.1 | 177.9 | 55.5 | 0 | 0 | 0 | 0 | 109.5 | T20 E24 | T20-S22 PolarHBondContact O-N 3.46Å; S22-E24 PolarHBondContact O-N 3.38Å |
| 23 | V | 76.4 | Confident | 77.1 | Confident | 135 Ų | 135 | 148.8 Ų | 148.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -80 | 109.2 | 175.6 | -178.9 | 0 | 0 | 0 | 0 | 106.3 | K21 | K21-V23 WeakPolarHBondContact O-CG2 3.43Å; K21-V23 PolarHBondContact O-N 3.33Å |
| 24 | E | 82.4 | Confident | 78.5 | Confident | 158 Ų | 158 | 146.4 Ų | 146.4 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 140.6 | 172.5 | -66.1 | -174.8 | 164.3 | 0 | 0 | 109.8 | S22 V26 | S22-E24 PolarHBondContact O-N 3.38Å; E24-V26 PolarHBondContact O-N 2.98Å |
| 25 | P | 82.8 | Confident | 79.7 | Confident | 121 Ų | 121 | 147.7 Ų | 147.7 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 119.5 | 175.2 | 27 | -33 | 0 | 0 | 0 | 109.7 | L27 | P25-L27 PolarHBondContact O-N 3.3Š|
| 26 | V | 85.5 | Confident | 80.7 | Confident | 131 Ų | 131 | 147.7 Ų | 147.7 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -82 | 118 | 175.7 | -178.7 | 0 | 0 | 0 | 0 | 109.3 | E24 | E24-V26 PolarHBondContact O-N 2.98Š|
| 27 | L | 88.3 | Confident | 81.5 | Confident | 150 Ų | 150 | 144.6 Ų | 144.6 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 146.6 | 173.1 | -61.7 | 175.5 | 0 | 0 | 0 | 111.2 | P25 K29 | P25-L27 PolarHBondContact O-N 3.3Å; L27-K29 PolarHBondContact O-N 3.04Å |
| 28 | C | 90.6 | Very high | 82.3 | Confident | 129 Ų | 129 | 145.7 Ų | 145.7 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -54 | 137.2 | 171 | -66.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 29 | K | 92.7 | Very high | 82.6 | Confident | 172 Ų | 172 | 147.6 Ų | 147.6 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 142.2 | 173.4 | -61 | -61.6 | -177.3 | -175.3 | 0 | 109.9 | L27 | L27-K29 PolarHBondContact O-N 3.04Š|
| 30 | P | 91.6 | Very high | 82.5 | Confident | 128 Ų | 128 | 143.7 Ų | 143.7 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 141.1 | 172 | 26.7 | -33.9 | 0 | 0 | 0 | 109.8 | | |
| 31 | R | 93.5 | Very high | 82.1 | Confident | 236 Ų | 236 | 141.3 Ų | 141.3 | 89% | 0.891 | 76% | 0.758 | S | S | * | * | | | trans | -109.9 | 136.6 | 175 | -70.1 | -173.7 | 174.2 | -178 | -1.1 | 109.7 | | |
| 32 | L | 94.4 | Very high | 81.4 | Confident | 176 Ų | 176 | 135.1 Ų | 135.1 | 92% | 0.921 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 130.1 | 171.3 | -70.5 | 165.5 | 0 | 0 | 0 | 109.2 | | |
| 33 | L | 91.4 | Very high | 81.2 | Confident | 159 Ų | 159 | 139.4 Ų | 139.4 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 141.8 | 175.2 | -64.7 | 177.1 | 0 | 0 | 0 | 110.1 | | |
| 34 | P | 88.7 | Confident | 80.6 | Confident | 116 Ų | 116 | 138.1 Ų | 138.1 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 147.9 | 175.4 | 29.1 | -34.1 | 0 | 0 | 0 | 111 | | |
| 35 | L | 86.9 | Confident | 79.5 | Confident | 174 Ų | 174 | 136.6 Ų | 136.6 | 91% | 0.911 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 133.7 | 171.7 | -63 | 174.9 | 0 | 0 | 0 | 109.9 | | |
| 36 | K | 82.7 | Confident | 78.3 | Confident | 129 Ų | 129 | 137.4 Ų | 137.4 | 56% | 0.561 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -77 | 135.3 | 173.3 | -64.1 | 175.6 | -176.9 | -178.5 | 0 | 109.4 | E44 | K36-E44 WeakPolarHBondContact CE-OE1 3.25Å; K36-E44 PolarHBondContact NZ-OE2 3.35Å; K36-E44 IonicContact NZ-OE2 2.59Å; K36-E44 PolarHBondContact NZ-OE1 3.03Å; K36-E44 IonicContact NZ-OE1 2.76Å; K36-E44 WeakPolarHBondContact CD-OE2 3.35Å; K36-E44 WeakPolarHBondContact CD-OE1 3.01Å; K36-E44 VanDerWaalsContact CD-OE1 3.25Å; K36-E44 WeakPolarHBondContact CE-OE2 3.32Å |
| 37 | S | 80.7 | Confident | 76.6 | Confident | 59 Ų | 59 | 139.3 Ų | 139.3 | 41% | 0.413 | 73% | 0.734 | S | S | . | * | P | Polyproline II helix | trans | -70.2 | 151.1 | 172.1 | 77.5 | 0 | 0 | 0 | 0 | 110.4 | K39 L40 S41 | S37-K39 PolarHBondContact O-N 3.28Å; S37-L40 PolarHBondContact O-N 2.94Å; S37-S41 PolarHBondContact O-N 3.19Å |
| 38 | V | 76 | Confident | 75 | Confident | 134 Ų | 134 | 139.6 Ų | 139.6 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -27.2 | 175.9 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | L40 S41 | V38-L40 VanDerWaalsContact C-N 3.31Å; V38-L40 PolarHBondContact O-N 2.84Å; V38-S41 PolarHBondContact O-OG 3.34Å |
| 39 | K | 71.2 | Confident | 73.2 | Confident | 181 Ų | 181 | 140 Ų | 140 | 79% | 0.787 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -16.9 | 178.3 | -62.2 | -175.1 | 179.2 | -178.9 | 0 | 113.7 | S37 | S37-K39 PolarHBondContact O-N 3.28Š|
| 40 | L | 62.9 | Low | 71.1 | Confident | 102 Ų | 102 | 140.8 Ų | 140.8 | 53% | 0.534 | 73% | 0.727 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.3 | -20.1 | -178.5 | -65.5 | 174.8 | 0 | 0 | 0 | 113 | S37 V38 G42 Y43 | S37-L40 PolarHBondContact O-N 2.94Å; V38-L40 VanDerWaalsContact C-N 3.31Å; V38-L40 PolarHBondContact O-N 2.84Å; L40-G42 PolarHBondContact O-N 3.3Å; L40-G42 VanDerWaalsContact O-N 3.17Å; L40-Y43 PolarHBondContact O-N 3.26Å |
| 41 | S | 60.8 | Low | 69 | Low | 74 Ų | 74 | 137.2 Ų | 137.2 | 52% | 0.517 | 71% | 0.714 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.8 | -15 | 179.3 | 64.7 | 0 | 0 | 0 | 0 | 114 | S37 V38 | S37-S41 PolarHBondContact O-N 3.19Å; V38-S41 PolarHBondContact O-OG 3.34Å |
| 42 | G | 61.1 | Low | 67 | Low | 60 Ų | 60 | 129.6 Ų | 129.6 | 62% | 0.619 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -5.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | L40 | L40-G42 PolarHBondContact O-N 3.3Å; L40-G42 VanDerWaalsContact O-N 3.17Å |
| 43 | Y | 65.3 | Low | 64.9 | Low | 203 Ų | 203 | 129 Ų | 129 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -111.6 | 0.7 | -177.4 | -68.3 | -78.9 | 0 | 0 | 0 | 113.6 | L40 V45 | L40-Y43 PolarHBondContact O-N 3.26Å; Y43-V45 PolarHBondContact O-N 3.09Å; Y43-V45 VanDerWaalsContact O-N 3.11Å; Y43-V45 VanDerWaalsContact C-N 3.26Å |
| 44 | E | 63.2 | Low | 63.1 | Low | 108 Ų | 108 | 128.3 Ų | 128.3 | 51% | 0.505 | 69% | 0.69 | S | S | . | * | | | trans | -87.1 | 72.4 | 173.9 | -61.8 | 179.8 | 157.4 | 0 | 0 | 108.4 | K36 | K36-E44 WeakPolarHBondContact CE-OE1 3.25Å; K36-E44 PolarHBondContact NZ-OE2 3.35Å; K36-E44 IonicContact NZ-OE2 2.59Å; K36-E44 PolarHBondContact NZ-OE1 3.03Å; K36-E44 IonicContact NZ-OE1 2.76Å; K36-E44 WeakPolarHBondContact CD-OE2 3.35Å; K36-E44 WeakPolarHBondContact CD-OE1 3.01Å; K36-E44 VanDerWaalsContact CD-OE1 3.25Å; K36-E44 WeakPolarHBondContact CE-OE2 3.32Å |
| 45 | V | 59 | Low | 61.4 | Low | 126 Ų | 126 | 128.7 Ų | 128.7 | 76% | 0.764 | 69% | 0.686 | S | S | * | * | | | trans | -94.2 | 120.1 | 165.9 | 178.7 | 0 | 0 | 0 | 0 | 106.7 | Y43 D47 | Y43-V45 PolarHBondContact O-N 3.09Å; Y43-V45 VanDerWaalsContact O-N 3.11Å; Y43-V45 VanDerWaalsContact C-N 3.26Å; V45-D47 PolarHBondContact O-N 2.94Å |
| 46 | E | 57.2 | Low | 59.3 | Low | 138 Ų | 138 | 123.9 Ų | 123.9 | 65% | 0.645 | 68% | 0.678 | S | S | * | * | | | trans | -51.6 | 114 | -175.3 | -62 | 176.8 | 163.6 | 0 | 0 | 112.4 | E48 | E46-E48 HydrophobicContact CB-CB 4.13Å; E46-E48 PolarHBondContact O-N 3.42Å; E46-E48 VanDerWaalsContact O-N 3.14Å |
| 47 | D | 51.3 | Low | 57.9 | Low | 171 Ų | 171 | 125.8 Ų | 125.8 | 91% | 0.914 | 69% | 0.686 | S | S | * | * | | | trans | -74.3 | 23.7 | 155.2 | -88.3 | -29.7 | 0 | 0 | 0 | 111 | V45 | V45-D47 PolarHBondContact O-N 2.94Š|
| 48 | E | 53.7 | Low | 56.6 | Low | 157 Ų | 157 | 130.9 Ų | 130.9 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | | | trans | -109.7 | 43.8 | -168.5 | -59.4 | -168.4 | 163.5 | 0 | 0 | 113.6 | E46 | E46-E48 HydrophobicContact CB-CB 4.13Å; E46-E48 PolarHBondContact O-N 3.42Å; E46-E48 VanDerWaalsContact O-N 3.14Å |
| 49 | I | 52.7 | Low | 55.6 | Low | 136 Ų | 136 | 130.8 Ų | 130.8 | 70% | 0.697 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -135.6 | 32.7 | 166.2 | -33.1 | 176.4 | 0 | 0 | 0 | 113.3 | | |
| 50 | K | 49 | Very low | 54.5 | Low | 189 Ų | 189 | 131 Ų | 131 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -119.2 | 7.6 | 169.1 | -84 | -173.8 | 176.3 | 177.7 | 0 | 115.3 | | |
| 51 | G | 48 | Very low | 53.5 | Low | 54 Ų | 54 | 134.5 Ų | 134.5 | 56% | 0.557 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -120.3 | -13.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 52 | A | 50.6 | Low | 52.7 | Low | 75 Ų | 75 | 136.6 Ų | 136.6 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -84.1 | -15.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N54 | A52-N54 PolarHBondContact O-N 3.43Š|
| 53 | E | 51.2 | Low | 51.8 | Low | 163 Ų | 163 | 146.7 Ų | 146.7 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -77 | -6.6 | 177.9 | 58.3 | -166.2 | 173.6 | 0 | 0 | 114 | | |
| 54 | N | 53.8 | Low | 51.1 | Low | 145 Ų | 145 | 143.9 Ų | 143.9 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -109 | 2.5 | 178.2 | -94 | -46.7 | 0 | 0 | 0 | 115 | A52 G56 | A52-N54 PolarHBondContact O-N 3.43Å; N54-G56 PolarHBondContact O-N 2.74Å |
| 55 | L | 51.7 | Low | 50.4 | Low | 125 Ų | 125 | 145.7 Ų | 145.7 | 65% | 0.654 | 77% | 0.768 | S | S | * | * | | | trans | -97 | 68.9 | 173.4 | -70.8 | 169.4 | 0 | 0 | 0 | 109.9 | F57 | L55-F57 HydrophobicContact CB-CE2 4.17Å; L55-F57 VanDerWaalsContact O-CD2 3.32Å; L55-F57 WeakPolarHBondContact O-CD2 3.41Å; L55-F57 PolarHBondContact O-N 3.41Å |
| 56 | G | 43.7 | Very low | 50 | Low | 72 Ų | 72 | 146.8 Ų | 146.8 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | | | trans | -66.3 | 91.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | N54 N58 | N54-G56 PolarHBondContact O-N 2.74Å; G56-N58 PolarHBondContact O-N 3.39Å |
| 57 | F | 51.9 | Low | 49.6 | Very low | 170 Ų | 170 | 147.4 Ų | 147.4 | 75% | 0.746 | 78% | 0.776 | S | S | * | * | | | trans | -77.9 | 69.3 | 165.2 | -69.1 | -83.5 | 0 | 0 | 0 | 110.4 | L55 N59 | L55-F57 HydrophobicContact CB-CE2 4.17Å; L55-F57 VanDerWaalsContact O-CD2 3.32Å; L55-F57 WeakPolarHBondContact O-CD2 3.41Å; L55-F57 PolarHBondContact O-N 3.41Å; F57-N59 PolarHBondContact O-N 3.46Å |
| 58 | N | 54.8 | Low | 49.4 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | | | trans | -85.5 | 91.7 | 162.7 | -85.3 | -29 | 0 | 0 | 0 | 109.2 | G56 | G56-N58 PolarHBondContact O-N 3.39Š|
| 59 | N | 53.8 | Low | 49.2 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | -64.9 | 146.2 | 164.8 | -75.6 | -64.1 | 0 | 0 | 0 | 111.1 | F57 | F57-N59 PolarHBondContact O-N 3.46Š|
| 60 | H | 48.3 | Very low | 48.9 | Very low | 187 Ų | 187 | 145.8 Ų | 145.8 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | | | trans | 68.7 | 126.2 | 168.2 | -87.7 | -62.6 | 0 | 0 | 0 | 116.7 | | |
| 61 | K | 42.4 | Very low | 48.9 | Very low | 174 Ų | 174 | 142.5 Ų | 142.5 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | | | cis | -169.8 | 141.5 | 26.1 | -175.2 | -174.9 | -176.6 | -167.4 | 0 | 108.3 | | |
| 62 | P | 43.9 | Very low | 49 | Very low | 119 Ų | 119 | 149.8 Ų | 149.8 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -86 | 128.7 | 173.9 | 32.4 | -28.5 | 0 | 0 | 0 | 111.4 | | |
| 63 | K | 41.5 | Very low | 48.8 | Very low | 271 Ų | 271 | 156.6 Ų | 156.6 | 100% | 1.178 | 80% | 0.804 | S | S | * | * | | | trans | 63.4 | 0 | 169.3 | -68.5 | -174.6 | 178.1 | 179.1 | 0 | 118.7 | | |