| 1 | M | 51.7 | Low | 65.9 | Low | 239 Ų | 239 | 130.1 Ų | 130.1 | 100% | 1.177 | 81% | 0.81 | S | S | * | * | | | | 0 | 102.2 | 0 | -72.9 | -83.1 | 176 | 0 | 0 | 106.8 | | |
| 2 | Y | 58.9 | Low | 66.5 | Low | 233 Ų | 233 | 129.8 Ų | 129.8 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | | | trans | -89.3 | 113.5 | 177.6 | -67 | -83 | 0 | 0 | 0 | 107.8 | S4 | Y2-S4 VanDerWaalsContact O-N 3.11Å; Y2-S4 PolarHBondContact O-N 3.44Å |
| 3 | A | 58.4 | Low | 66.6 | Low | 92 Ų | 92 | 127.3 Ų | 127.3 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | | | trans | -67.1 | 110 | 173.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | L5 | A3-L5 PolarHBondContact O-N 3.41Š|
| 4 | S | 66.6 | Low | 66.7 | Low | 119 Ų | 119 | 124.1 Ų | 124.1 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | trans | -67.9 | 104.2 | 166.7 | -66.9 | 0 | 0 | 0 | 0 | 106.6 | Y2 G6 | Y2-S4 VanDerWaalsContact O-N 3.11Å; Y2-S4 PolarHBondContact O-N 3.44Å; S4-G6 VanDerWaalsContact C-N 3.26Å; S4-G6 PolarHBondContact O-N 3.21Å |
| 5 | L | 68.3 | Low | 66.7 | Low | 171 Ų | 171 | 123.7 Ų | 123.7 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | | | trans | -62.9 | 96 | 168.5 | -73.7 | 157.8 | 0 | 0 | 0 | 106.1 | A3 S7 | A3-L5 PolarHBondContact O-N 3.41Å; L5-S7 PolarHBondContact O-N 3.19Å |
| 6 | G | 66.4 | Low | 66.6 | Low | 70 Ų | 70 | 122.8 Ų | 122.8 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | -54.5 | 134.5 | 179 | 0 | 0 | 0 | 0 | 0 | 109.7 | S4 G8 | S4-G6 VanDerWaalsContact C-N 3.26Å; S4-G6 PolarHBondContact O-N 3.21Å; G6-G8 PolarHBondContact O-N 3.25Å |
| 7 | S | 70.4 | Confident | 66.3 | Low | 119 Ų | 119 | 118.5 Ų | 118.5 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | | | trans | -65.9 | 101.3 | 168.9 | -172.7 | 0 | 0 | 0 | 0 | 107.5 | L5 | L5-S7 PolarHBondContact O-N 3.19Š|
| 8 | G | 71.5 | Confident | 66.3 | Low | 47 Ų | 47 | 115.5 Ų | 115.5 | 49% | 0.485 | 74% | 0.736 | S | S | . | * | P | Polyproline II helix | trans | -65.1 | 167.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G6 V10 | G6-G8 PolarHBondContact O-N 3.25Å; G8-V10 PolarHBondContact O-N 2.91Å |
| 9 | P | 66.4 | Low | 66.2 | Low | 142 Ų | 142 | 115.4 Ų | 115.4 | 92% | 0.922 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 116.1 | 177.2 | 23.5 | -32.1 | 0 | 0 | 0 | 109.8 | A11 | P9-A11 PolarHBondContact O-N 2.87Š|
| 10 | V | 71.3 | Confident | 65.8 | Low | 122 Ų | 122 | 114.1 Ų | 114.1 | 74% | 0.739 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 119.6 | 174.6 | 176.2 | 0 | 0 | 0 | 0 | 107.3 | G8 | G8-V10 PolarHBondContact O-N 2.91Š|
| 11 | A | 75.4 | Confident | 65.3 | Low | 77 Ų | 77 | 112.9 Ų | 112.9 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 133.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | P9 L13 | P9-A11 PolarHBondContact O-N 2.87Å; A11-L13 PolarHBondContact O-N 3.26Å |
| 12 | P | 72.1 | Confident | 65.7 | Low | 127 Ų | 127 | 106.7 Ų | 106.7 | 83% | 0.825 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 127.8 | 178.9 | 25.5 | -32.4 | 0 | 0 | 0 | 108.8 | | |
| 13 | L | 67.9 | Low | 65.7 | Low | 97 Ų | 97 | 98.9 Ų | 98.9 | 51% | 0.508 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -64.6 | 139.9 | 172 | -112.8 | 81 | 0 | 0 | 0 | 109.2 | A11 A15 V17 L22 | A11-L13 PolarHBondContact O-N 3.26Å; L13-A15 PolarHBondContact O-N 3.26Å; L13-V17 HydrophobicContact CD2-CB 4.31Å; L13-V17 HydrophobicContact CD2-CG1 4.23Å; L13-L22 HydrophobicContact CD1-CD2 4.29Å; L13-L22 HydrophobicContact CD2-CD1 3.33Å; L13-L22 HydrophobicContact CD2-CD2 3.64Å; L13-L22 HydrophobicContact CD2-CG 3.83Å |
| 14 | P | 67.9 | Low | 65.5 | Low | 82 Ų | 82 | 98.7 Ų | 98.7 | 53% | 0.532 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 131.3 | 173 | -8.7 | 19.4 | 0 | 0 | 0 | 108.4 | S16 V17 | P14-S16 PolarHBondContact O-N 3.43Å; P14-V17 HydrophobicContact CB-CG2 4.03Å; P14-V17 PolarHBondContact O-N 2.89Å; P14-V17 HydrophobicContact CG-CG2 3.73Å |
| 15 | A | 66.8 | Low | 64.9 | Low | 118 Ų | 118 | 104 Ų | 104 | 98% | 0.975 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -11.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L13 | L13-A15 PolarHBondContact O-N 3.26Š|
| 16 | S | 65.1 | Low | 64.3 | Low | 109 Ų | 109 | 100.6 Ų | 100.6 | 76% | 0.762 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -4.6 | 177.2 | -174.2 | 0 | 0 | 0 | 0 | 114.2 | P14 P18 | P14-S16 PolarHBondContact O-N 3.43Å; S16-P18 VanDerWaalsContact O-CD 3.24Å; S16-P18 WeakPolarHBondContact O-CD 3.24Å |
| 17 | V | 62.3 | Low | 63.9 | Low | 51 Ų | 51 | 103.9 Ų | 103.9 | 31% | 0.309 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -89 | 108.6 | 178.3 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | L13 P14 V21 L22 | L13-V17 HydrophobicContact CD2-CB 4.31Å; L13-V17 HydrophobicContact CD2-CG1 4.23Å; P14-V17 HydrophobicContact CB-CG2 4.03Å; P14-V17 PolarHBondContact O-N 2.89Å; P14-V17 HydrophobicContact CG-CG2 3.73Å; V17-V21 HydrophobicContact CG1-CB 3.88Å; V17-V21 HydrophobicContact CG1-CG1 4.09Å; V17-L22 HydrophobicContact CG1-CD1 4.2Å |
| 18 | P | 66.5 | Low | 63.1 | Low | 64 Ų | 64 | 101.4 Ų | 101.4 | 42% | 0.416 | 67% | 0.667 | S | S | . | * | | | trans | -66 | 144 | 177.4 | 28.8 | -33.1 | 0 | 0 | 0 | 109.1 | S16 S20 V21 | S16-P18 VanDerWaalsContact O-CD 3.24Å; S16-P18 WeakPolarHBondContact O-CD 3.24Å; P18-S20 WeakPolarHBondContact CB-OG 3.48Å; P18-S20 PolarHBondContact O-N 2.97Å; P18-V21 HydrophobicContact CG-CG2 3.82Å; P18-V21 PolarHBondContact O-N 3.25Å |
| 19 | P | 63.1 | Low | 62.2 | Low | 113 Ų | 113 | 102.7 Ų | 102.7 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -58.3 | -20.5 | -176.8 | 20.8 | -31.5 | 0 | 0 | 0 | 113.2 | V21 L22 | P19-V21 PolarHBondContact O-N 3.45Å; P19-L22 PolarHBondContact O-N 3.31Å |
| 20 | S | 58.6 | Low | 61.9 | Low | 90 Ų | 90 | 101.5 Ų | 101.5 | 63% | 0.629 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -63.1 | -20.2 | 172.4 | 38.3 | 0 | 0 | 0 | 0 | 114.5 | P18 | P18-S20 WeakPolarHBondContact CB-OG 3.48Å; P18-S20 PolarHBondContact O-N 2.97Å |
| 21 | V | 56.6 | Low | 61 | Low | 89 Ų | 89 | 107.3 Ų | 107.3 | 54% | 0.539 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -81.9 | -26.4 | 176.2 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | V17 P18 P19 G23 | V17-V21 HydrophobicContact CG1-CB 3.88Å; V17-V21 HydrophobicContact CG1-CG1 4.09Å; P18-V21 HydrophobicContact CG-CG2 3.82Å; P18-V21 PolarHBondContact O-N 3.25Å; P19-V21 PolarHBondContact O-N 3.45Å; V21-G23 VanDerWaalsContact C-N 3.32Å; V21-G23 PolarHBondContact O-N 3.4Å |
| 22 | L | 59.5 | Low | 60 | Low | 109 Ų | 109 | 108.3 Ų | 108.3 | 57% | 0.571 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -74.3 | -22.5 | 178.7 | -73.3 | 100.2 | 0 | 0 | 0 | 113.5 | L13 V17 P19 | L13-L22 HydrophobicContact CD1-CD2 4.29Å; L13-L22 HydrophobicContact CD2-CD1 3.33Å; L13-L22 HydrophobicContact CD2-CD2 3.64Å; L13-L22 HydrophobicContact CD2-CG 3.83Å; V17-L22 HydrophobicContact CG1-CD1 4.2Å; P19-L22 PolarHBondContact O-N 3.31Å |
| 23 | G | 57.9 | Low | 59.1 | Low | 68 Ų | 68 | 107.6 Ų | 107.6 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -7.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | V21 W25 | V21-G23 VanDerWaalsContact C-N 3.32Å; V21-G23 PolarHBondContact O-N 3.4Å; G23-W25 VanDerWaalsContact C-N 3.28Å; G23-W25 VanDerWaalsContact O-N 3.09Å; G23-W25 PolarHBondContact O-N 3.48Å |
| 24 | S | 55.7 | Low | 58 | Low | 89 Ų | 89 | 109.8 Ų | 109.8 | 62% | 0.622 | 70% | 0.701 | S | S | * | * | | | trans | -90.6 | 64.4 | -176.9 | -167.3 | 0 | 0 | 0 | 0 | 110.7 | S26 | S24-S26 PolarHBondContact O-N 2.96Š|
| 25 | W | 52.6 | Low | 56.9 | Low | 230 Ų | 230 | 115.5 Ų | 115.5 | 87% | 0.871 | 71% | 0.712 | S | S | * | * | | | trans | -67.2 | 103.5 | 163.4 | -160.4 | -33.7 | 0 | 0 | 0 | 106.9 | G23 T27 | G23-W25 VanDerWaalsContact C-N 3.28Å; G23-W25 VanDerWaalsContact O-N 3.09Å; G23-W25 PolarHBondContact O-N 3.48Å; W25-T27 VanDerWaalsContact C-N 3.31Å; W25-T27 PolarHBondContact O-N 3.05Å; W25-T27 PolarHBondContact O-OG1 3.38Å |
| 26 | S | 57 | Low | 56.2 | Low | 100 Ų | 100 | 119.7 Ų | 119.7 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | | | trans | -60 | 97.9 | 165 | -81.4 | 0 | 0 | 0 | 0 | 108.3 | S24 G28 | S24-S26 PolarHBondContact O-N 2.96Å; S26-G28 PolarHBondContact O-N 3.19Å |
| 27 | T | 56.9 | Low | 55.6 | Low | 138 Ų | 138 | 121 Ų | 121 | 85% | 0.847 | 71% | 0.705 | S | S | * | * | | | trans | -75.3 | 52.5 | 162.2 | -13 | 0 | 0 | 0 | 0 | 108.9 | W25 G29 | W25-T27 VanDerWaalsContact C-N 3.31Å; W25-T27 PolarHBondContact O-N 3.05Å; W25-T27 PolarHBondContact O-OG1 3.38Å; T27-G29 PolarHBondContact O-N 3Å |
| 28 | G | 53.2 | Low | 54.6 | Low | 67 Ų | 67 | 124.7 Ų | 124.7 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | | | trans | -88.6 | 94.6 | 174 | 0 | 0 | 0 | 0 | 0 | 108.4 | S26 S30 | S26-G28 PolarHBondContact O-N 3.19Å; G28-S30 PolarHBondContact O-N 3.03Å |
| 29 | G | 53.3 | Low | 54.3 | Low | 74 Ų | 74 | 130.8 Ų | 130.8 | 76% | 0.763 | 75% | 0.748 | S | S | * | * | | | trans | -45.6 | 116.3 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | T27 R31 | T27-G29 PolarHBondContact O-N 3Å; G29-R31 PolarHBondContact O-N 3.09Å; G29-R31 VanDerWaalsContact O-N 3.11Å |
| 30 | S | 60.8 | Low | 53.7 | Low | 118 Ų | 118 | 130.6 Ų | 130.6 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | | | trans | -64.6 | 99.8 | 148.9 | 169.9 | 0 | 0 | 0 | 0 | 108.3 | G28 | G28-S30 PolarHBondContact O-N 3.03Š|
| 31 | R | 51.6 | Low | 53.6 | Low | 243 Ų | 243 | 132.2 Ų | 132.2 | 92% | 0.917 | 76% | 0.758 | S | S | * | * | | | trans | -125.7 | 96.9 | 146.3 | -74.8 | -169.7 | -163.4 | -172.1 | 5.7 | 107.8 | G29 | G29-R31 PolarHBondContact O-N 3.09Å; G29-R31 VanDerWaalsContact O-N 3.11Å |
| 32 | S | 55 | Low | 53.5 | Low | 98 Ų | 98 | 132.1 Ų | 132.1 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | | | trans | -48.6 | 153.2 | 155.4 | -172.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 33 | C | 52.7 | Low | 52.8 | Low | 112 Ų | 112 | 130.3 Ų | 130.3 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | | | trans | 62.7 | 75.1 | 156.7 | 61.9 | 0 | 0 | 0 | 0 | 120.4 | | |
| 34 | V | 45.2 | Very low | 52.6 | Low | 144 Ų | 144 | 131.3 Ų | 131.3 | 87% | 0.873 | 78% | 0.784 | S | S | * | * | | | trans | -144.2 | 126.1 | 136.7 | -173 | 0 | 0 | 0 | 0 | 110.2 | Q36 | V34-Q36 PolarHBondContact O-N 2.87Š|
| 35 | R | 44.4 | Very low | 52.6 | Low | 201 Ų | 201 | 139.1 Ų | 139.1 | 76% | 0.758 | 80% | 0.8 | S | S | * | * | | | trans | -28.5 | 119.8 | 168.9 | -174.4 | 177.2 | 178.1 | 161.7 | -2.3 | 113.3 | E37 | R35-E37 PolarHBondContact O-N 2.87Å; R35-E37 PolarHBondContact NH2-OE2 3.05Å; R35-E37 IonicContact NH2-OE2 3.49Å; R35-E37 IonicContact CZ-OE2 3.99Å; R35-E37 HydrophobicContact CG-CB 4.33Å; R35-E37 IonicContact NE-OE2 3.59Å |
| 36 | Q | 52.6 | Low | 52.7 | Low | 206 Ų | 206 | 134.2 Ų | 134.2 | 96% | 0.963 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -64.8 | 84.6 | 166.6 | -81.1 | -155.2 | 76.6 | 0 | 0 | 110 | V34 | V34-Q36 PolarHBondContact O-N 2.87Š|
| 37 | E | 53 | Low | 52.5 | Low | 138 Ų | 138 | 134.5 Ų | 134.5 | 65% | 0.645 | 80% | 0.797 | S | S | * | * | | | trans | -156.4 | 86.8 | 165.7 | -159.6 | -178.3 | 126 | 0 | 0 | 107.6 | R35 | R35-E37 PolarHBondContact O-N 2.87Å; R35-E37 PolarHBondContact NH2-OE2 3.05Å; R35-E37 IonicContact NH2-OE2 3.49Å; R35-E37 IonicContact CZ-OE2 3.99Å; R35-E37 HydrophobicContact CG-CB 4.33Å; R35-E37 IonicContact NE-OE2 3.59Å |
| 38 | T | 41.3 | Very low | 52.4 | Low | 128 Ų | 128 | 130.9 Ų | 130.9 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -171 | 103.5 | 144.3 | -70.6 | 0 | 0 | 0 | 0 | 108.7 | S40 | T38-S40 PolarHBondContact O-N 2.94Š|
| 39 | K | 58.5 | Low | 52.3 | Low | 192 Ų | 192 | 136.3 Ų | 136.3 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | trans | -22.1 | 123.1 | 151 | 176.1 | -176.1 | 176.8 | -164 | 0 | 113.2 | | |
| 40 | S | 51.3 | Low | 52.2 | Low | 109 Ų | 109 | 144.2 Ų | 144.2 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | | | trans | -145 | 122.8 | 152.6 | -80.1 | 0 | 0 | 0 | 0 | 109.8 | T38 | T38-S40 PolarHBondContact O-N 2.94Š|
| 41 | P | 56.6 | Low | 51.9 | Low | 124 Ų | 124 | 142.5 Ų | 142.5 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | | | trans | -88.3 | 129.6 | 178.1 | 33.7 | -27.4 | 0 | 0 | 0 | 109.5 | | |
| 42 | G | 53.7 | Low | 52.1 | Low | 86 Ų | 86 | 135.7 Ų | 135.7 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | | | trans | 127.9 | 108.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 43 | G | 45.8 | Very low | 52 | Low | 72 Ų | 72 | 136.4 Ų | 136.4 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | 172.9 | 81.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | R45 | G43-R45 PolarHBondContact O-N 3.47Š|
| 44 | A | 53.1 | Low | 51.9 | Low | 88 Ų | 88 | 142 Ų | 142 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | -49.4 | 125.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T46 | A44-T46 PolarHBondContact O-N 3.11Š|
| 45 | R | 55.9 | Low | 52.5 | Low | 254 Ų | 254 | 143.2 Ų | 143.2 | 96% | 0.958 | 79% | 0.785 | S | S | * | * | | | trans | -67.7 | 96.3 | 170.1 | -68 | -158.2 | -93.5 | -169.3 | -5.5 | 108.2 | G43 | G43-R45 PolarHBondContact O-N 3.47Š|
| 46 | T | 54.1 | Low | 53.2 | Low | 126 Ų | 126 | 139.9 Ų | 139.9 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | trans | -106 | 91 | 161.9 | 58.6 | 0 | 0 | 0 | 0 | 107.2 | A44 G48 | A44-T46 PolarHBondContact O-N 3.11Å; T46-G48 VanDerWaalsContact C-N 3.29Å; T46-G48 PolarHBondContact O-N 2.91Å |
| 47 | S | 54.3 | Low | 53 | Low | 106 Ų | 106 | 139.2 Ų | 139.2 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | | | trans | -66.8 | 94.7 | 164.2 | 163.5 | 0 | 0 | 0 | 0 | 106.4 | H49 | S47-H49 PolarHBondContact O-N 3.31Š|
| 48 | G | 53.2 | Low | 52.6 | Low | 62 Ų | 62 | 139.4 Ų | 139.4 | 64% | 0.639 | 82% | 0.823 | S | S | * | * | | | trans | -54 | 120 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T46 | T46-G48 VanDerWaalsContact C-N 3.29Å; T46-G48 PolarHBondContact O-N 2.91Å |
| 49 | H | 52.4 | Low | 53.1 | Low | 181 Ų | 181 | 140 Ų | 140 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | | | trans | -13.8 | 117.4 | 167.4 | -69.2 | -91.2 | 0 | 0 | 0 | 117.2 | S47 A51 | S47-H49 PolarHBondContact O-N 3.31Å; H49-A51 PolarHBondContact O-N 3.39Å |
| 50 | W | 50 | Low | 52.9 | Low | 241 Ų | 241 | 137.3 Ų | 137.3 | 91% | 0.913 | 83% | 0.825 | S | S | * | * | | | trans | -73.6 | 113.2 | 155.9 | -61.7 | 91.4 | 0 | 0 | 0 | 108.6 | | |
| 51 | A | 54.6 | Low | 52.9 | Low | 82 Ų | 82 | 138.8 Ų | 138.8 | 68% | 0.678 | 83% | 0.828 | S | S | * | * | | | trans | -142 | 70.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | H49 V53 | H49-A51 PolarHBondContact O-N 3.39Å; A51-V53 PolarHBondContact O-N 3.23Å |
| 52 | S | 55.6 | Low | 52.7 | Low | 100 Ų | 100 | 139.7 Ų | 139.7 | 70% | 0.699 | 83% | 0.83 | S | S | * | * | | | trans | -92.7 | 78.4 | 161.3 | -64.7 | 0 | 0 | 0 | 0 | 108.1 | W54 | S52-W54 PolarHBondContact O-N 3.11Š|
| 53 | V | 53.8 | Low | 52.7 | Low | 113 Ų | 113 | 143.1 Ų | 143.1 | 69% | 0.685 | 83% | 0.826 | S | S | * | * | | | trans | -79.3 | 95.8 | 168.5 | 170.2 | 0 | 0 | 0 | 0 | 107 | A51 Q55 | A51-V53 PolarHBondContact O-N 3.23Å; V53-Q55 VanDerWaalsContact C-N 3.34Å; V53-Q55 HydrophobicContact CG1-CB 4.44Å; V53-Q55 HydrophobicContact CG1-CG 3.38Å; V53-Q55 PolarHBondContact O-N 3.45Å |
| 54 | W | 49.5 | Very low | 53.1 | Low | 228 Ų | 228 | 147.8 Ų | 147.8 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | | | trans | -80.2 | 89.4 | 163.7 | -67.3 | 93.7 | 0 | 0 | 0 | 107.5 | S52 V56 | S52-W54 PolarHBondContact O-N 3.11Å; W54-V56 PolarHBondContact O-N 2.85Å |
| 55 | Q | 58.6 | Low | 53.1 | Low | 170 Ų | 170 | 152.1 Ų | 152.1 | 79% | 0.794 | 84% | 0.839 | S | S | * | * | | | trans | -76.8 | 98 | 164.3 | -70.9 | -95.9 | 41.4 | 0 | 0 | 107 | V53 Q57 | V53-Q55 VanDerWaalsContact C-N 3.34Å; V53-Q55 HydrophobicContact CG1-CB 4.44Å; V53-Q55 HydrophobicContact CG1-CG 3.38Å; V53-Q55 PolarHBondContact O-N 3.45Å; Q55-Q57 PolarHBondContact O-N 3.41Å |
| 56 | V | 59 | Low | 52.9 | Low | 131 Ų | 131 | 144.2 Ų | 144.2 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | | | trans | -78.1 | 109.5 | 160.2 | 169.9 | 0 | 0 | 0 | 0 | 106.2 | W54 G58 | W54-V56 PolarHBondContact O-N 2.85Å; V56-G58 PolarHBondContact O-N 3.49Å |
| 57 | Q | 47.8 | Very low | 52.8 | Low | 192 Ų | 192 | 145.8 Ų | 145.8 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | | | trans | -61.8 | 124.2 | 171.5 | -177.8 | 161.3 | 70.9 | 0 | 0 | 109.1 | Q55 | Q55-Q57 PolarHBondContact O-N 3.41Š|
| 58 | G | 45.1 | Very low | 52.7 | Low | 143 Ų | 143 | 149.4 Ų | 149.4 | 100% | 1.474 | 84% | 0.843 | S | S | * | * | | | trans | -111.3 | 0 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V56 | V56-G58 PolarHBondContact O-N 3.49Š|