| 1 | M | 51.4 | Low | 49.6 | Very low | 245 Ų | 245 | 155.7 Ų | 155.7 | 100% | 1.207 | 87% | 0.866 | S | S | * | * | | | | 0 | 106.9 | 0 | -65.4 | -172.5 | -179.4 | 0 | 0 | 105.4 | | |
| 2 | T | 56.3 | Low | 49.1 | Very low | 145 Ų | 145 | 158 Ų | 158 | 89% | 0.89 | 87% | 0.865 | S | S | * | * | | | trans | -104.6 | 118.7 | -171.4 | 27.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 3 | E | 55.7 | Low | 48.5 | Very low | 192 Ų | 192 | 155 Ų | 155 | 90% | 0.897 | 85% | 0.847 | S | S | * | * | | | trans | -74.2 | 118.6 | 176.1 | -64.1 | 176.2 | 153.3 | 0 | 0 | 109.2 | Q5 | E3-Q5 PolarHBondContact O-N 3.37Š|
| 4 | E | 51.6 | Low | 48 | Very low | 191 Ų | 191 | 151.3 Ų | 151.3 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | | | trans | -77 | 111.4 | 167.5 | -90.2 | -176.3 | 119.3 | 0 | 0 | 109.3 | | |
| 5 | Q | 47.6 | Very low | 47.6 | Very low | 194 Ų | 194 | 153.9 Ų | 153.9 | 91% | 0.907 | 84% | 0.842 | S | S | * | * | | | trans | -75.6 | 111.9 | 162.4 | -76.5 | 179.5 | -25.7 | 0 | 0 | 109.3 | E3 | E3-Q5 PolarHBondContact O-N 3.37Š|
| 6 | T | 46.8 | Very low | 46.8 | Very low | 140 Ų | 140 | 154.6 Ų | 154.6 | 86% | 0.859 | 84% | 0.837 | S | S | * | * | | | trans | -90.1 | 113.5 | 166.8 | 7.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 7 | S | 52.2 | Low | 46.4 | Very low | 108 Ų | 108 | 152.1 Ų | 152.1 | 76% | 0.755 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 141.2 | 173.2 | -154.2 | 0 | 0 | 0 | 0 | 111 | G9 | S7-G9 PolarHBondContact O-N 3.12Š|
| 8 | P | 50.9 | Low | 46.1 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 117 | 173.4 | 27.5 | -30.2 | 0 | 0 | 0 | 108.9 | | |
| 9 | G | 43 | Very low | 45.6 | Very low | 66 Ų | 66 | 150.8 Ų | 150.8 | 68% | 0.68 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 134.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | S7 E11 | S7-G9 PolarHBondContact O-N 3.12Å; G9-E11 PolarHBondContact O-N 2.82Å; G9-E11 VanDerWaalsContact O-N 3.14Å |
| 10 | T | 44.4 | Very low | 45.4 | Very low | 134 Ų | 134 | 146.5 Ų | 146.5 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | trans | -52 | 109.9 | 171.1 | -41.7 | 0 | 0 | 0 | 0 | 109.8 | E12 | T10-E12 PolarHBondContact O-N 2.77Å; T10-E12 VanDerWaalsContact O-N 3.12Å |
| 11 | E | 45.9 | Very low | 45.3 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | trans | -69.3 | 108 | 170.3 | -66.2 | -166.7 | 161.9 | 0 | 0 | 108 | G9 N13 | G9-E11 PolarHBondContact O-N 2.82Å; G9-E11 VanDerWaalsContact O-N 3.14Å; E11-N13 PolarHBondContact O-N 3.04Å |
| 12 | E | 43.8 | Very low | 44.6 | Very low | 183 Ų | 183 | 143.1 Ų | 143.1 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | | | trans | -65.6 | 100.4 | 170.7 | -67.3 | -172 | 156.4 | 0 | 0 | 108.5 | T10 S14 | T10-E12 PolarHBondContact O-N 2.77Å; T10-E12 VanDerWaalsContact O-N 3.12Å; E12-S14 VanDerWaalsContact C-N 3.32Å; E12-S14 PolarHBondContact O-N 3.31Å |
| 13 | N | 40.9 | Very low | 43.7 | Very low | 119 Ų | 119 | 138 Ų | 138 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | | | trans | -66 | 90.8 | 169.1 | -81.9 | -8.1 | 0 | 0 | 0 | 109.2 | E11 E15 | E11-N13 PolarHBondContact O-N 3.04Å; N13-E15 PolarHBondContact O-N 3.45Å |
| 14 | S | 42.3 | Very low | 42.9 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 72% | 0.72 | 73% | 0.726 | S | S | * | * | | | trans | -76.1 | 109.4 | 170.4 | 62.3 | 0 | 0 | 0 | 0 | 109.7 | E12 E16 | E12-S14 VanDerWaalsContact C-N 3.32Å; E12-S14 PolarHBondContact O-N 3.31Å; S14-E16 PolarHBondContact O-N 3.18Å |
| 15 | E | 40.8 | Very low | 42.1 | Very low | 190 Ų | 190 | 126.8 Ų | 126.8 | 89% | 0.888 | 71% | 0.707 | S | S | * | * | | | trans | -72.2 | 105.2 | 172 | -63.4 | 179.2 | 157.8 | 0 | 0 | 109.7 | N13 | N13-E15 PolarHBondContact O-N 3.45Š|
| 16 | E | 35.8 | Very low | 41.7 | Very low | 165 Ų | 165 | 118.8 Ų | 118.8 | 77% | 0.771 | 67% | 0.673 | S | S | * | * | | | trans | -90.7 | 100.7 | 170.3 | -166.7 | 178 | -174.1 | 0 | 0 | 109.1 | S14 | S14-E16 PolarHBondContact O-N 3.18Š|
| 17 | S | 40.5 | Very low | 41.2 | Very low | 112 Ų | 112 | 116 Ų | 116 | 78% | 0.783 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 125.6 | 177.6 | 50.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 18 | V | 40.2 | Very low | 40.4 | Very low | 80 Ų | 80 | 116.4 Ų | 116.4 | 49% | 0.485 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -95.2 | 123.9 | 172.9 | 178.3 | 0 | 0 | 0 | 0 | 109.3 | L20 F28 | V18-L20 HydrophobicContact CG1-CD2 4.19Å; V18-L20 PolarHBondContact O-N 2.87Å; V18-F28 HydrophobicContact CG2-CE2 4.11Å |
| 19 | E | 37.3 | Very low | 39.5 | Very low | 200 Ų | 200 | 117.4 Ų | 117.4 | 94% | 0.935 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -67 | 116.6 | 170.8 | -83.1 | -169 | 153.8 | 0 | 0 | 110.3 | | |
| 20 | L | 40.3 | Very low | 39 | Very low | 65 Ų | 65 | 117.3 Ų | 117.3 | 34% | 0.34 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -100.8 | 163.9 | 173.4 | -60.5 | 177.3 | 0 | 0 | 0 | 111.4 | V18 L24 A26 | V18-L20 HydrophobicContact CG1-CD2 4.19Å; V18-L20 PolarHBondContact O-N 2.87Å; L20-L24 HydrophobicContact CB-CB 3.7Å; L20-L24 HydrophobicContact CD1-CB 3.83Å; L20-L24 HydrophobicContact CG-CB 4.42Å; L20-A26 HydrophobicContact CD1-CB 3.7Å; L20-A26 VanDerWaalsContact CD1-N 3.33Å |
| 21 | A | 42.9 | Very low | 38.4 | Very low | 67 Ų | 67 | 114.9 Ų | 114.9 | 55% | 0.554 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -53.9 | 145.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | G23 L24 | A21-G23 PolarHBondContact O-N 2.89Å; A21-G23 VanDerWaalsContact O-N 3.11Å; A21-L24 HydrophobicContact CB-CD1 4.22Å; A21-L24 WeakPolarHBondContact O-CB 3.36Å; A21-L24 PolarHBondContact O-N 3.42Å |
| 22 | R | 37.9 | Very low | 37.6 | Very low | 254 Ų | 254 | 109.3 Ų | 109.3 | 96% | 0.958 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.3 | 120.7 | -178 | -77.8 | -173.2 | 174.4 | 179.3 | -1.7 | 111 | | |
| 23 | G | 37.5 | Very low | 37 | Very low | 37 Ų | 37 | 107.2 Ų | 107.2 | 38% | 0.381 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 99 | -0.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | A21 G41 | A21-G23 PolarHBondContact O-N 2.89Å; A21-G23 VanDerWaalsContact O-N 3.11Å; G23-G41 PolarHBondContact O-N 2.97Å |
| 24 | L | 38.8 | Very low | 36.5 | Very low | 80 Ų | 80 | 107.7 Ų | 107.7 | 42% | 0.419 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.2 | 138.4 | 174.3 | -59.9 | 177.9 | 0 | 0 | 0 | 110.1 | L20 A21 V40 | L20-L24 HydrophobicContact CB-CB 3.7Å; L20-L24 HydrophobicContact CD1-CB 3.83Å; L20-L24 HydrophobicContact CG-CB 4.42Å; A21-L24 HydrophobicContact CB-CD1 4.22Å; A21-L24 WeakPolarHBondContact O-CB 3.36Å; A21-L24 PolarHBondContact O-N 3.42Å; L24-V40 HydrophobicContact CD2-CB 4.31Å; L24-V40 HydrophobicContact CD2-CG1 4.33Å; L24-V40 HydrophobicContact CD2-CG2 3.85Å |
| 25 | S | 34.9 | Very low | 35.9 | Very low | 68 Ų | 68 | 109.7 Ų | 109.7 | 48% | 0.476 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.4 | 136.8 | 170.6 | 52.7 | 0 | 0 | 0 | 0 | 110.1 | S39 | S25-S39 PolarHBondContact N-O 3.02Å; S25-S39 PolarHBondContact O-N 2.85Å; S25-S39 PolarHBondContact O-OG 3.42Å; S25-S39 PolarHBondContact OG-OG 3.06Å |
| 26 | A | 39.5 | Very low | 35.5 | Very low | 25 Ų | 25 | 104.6 Ų | 104.6 | 21% | 0.207 | 59% | 0.593 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.8 | 134.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | L20 L38 | L20-A26 HydrophobicContact CD1-CB 3.7Å; L20-A26 VanDerWaalsContact CD1-N 3.33Å; A26-L38 HydrophobicContact CB-CD2 3.96Å |
| 27 | S | 35.1 | Very low | 35.5 | Very low | 81 Ų | 81 | 101.7 Ų | 101.7 | 57% | 0.566 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121.4 | 138.5 | 172.6 | 56.6 | 0 | 0 | 0 | 0 | 109 | | |
| 28 | F | 36.5 | Very low | 35.1 | Very low | 117 Ų | 117 | 101.2 Ų | 101.2 | 51% | 0.513 | 57% | 0.566 | S | S | . | * | | | trans | -110.1 | 135.3 | 175 | -61.2 | -89 | 0 | 0 | 0 | 109.1 | V18 L36 | V18-F28 HydrophobicContact CG2-CE2 4.11Å; F28-L36 HydrophobicContact CD1-CD1 4.22Å; F28-L36 HydrophobicContact CE1-CD1 3.32Å; F28-L36 HydrophobicContact CZ-CD1 3.76Å |
| 29 | E | 31.2 | Very low | 34.7 | Very low | 144 Ų | 144 | 99 Ų | 99 | 67% | 0.673 | 55% | 0.554 | S | S | * | * | | | trans | -101 | 119.2 | 169.4 | -169.4 | 178.2 | -150.5 | 0 | 0 | 108.5 | G31 S32 | E29-G31 PolarHBondContact O-N 3.31Å; E29-S32 PolarHBondContact O-N 3.14Å; E29-S32 PolarHBondContact OE2-OG 3.47Å |
| 30 | A | 33 | Very low | 34.4 | Very low | 64 Ų | 64 | 93.4 Ų | 93.4 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 131 | 175 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 31 | G | 32 | Very low | 34.1 | Very low | 83 Ų | 83 | 91.8 Ų | 91.8 | 86% | 0.856 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.7 | -8.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | E29 | E29-G31 PolarHBondContact O-N 3.31Š|
| 32 | S | 29.5 | Very low | 33.7 | Very low | 58 Ų | 58 | 97 Ų | 97 | 41% | 0.406 | 55% | 0.545 | S | S | . | . | | | trans | -99.1 | 108.8 | -179.3 | -67.9 | 0 | 0 | 0 | 0 | 111.6 | E29 N34 | E29-S32 PolarHBondContact O-N 3.14Å; E29-S32 PolarHBondContact OE2-OG 3.47Å; S32-N34 PolarHBondContact O-N 3.11Å |
| 33 | I | 31.3 | Very low | 33.6 | Very low | 140 Ų | 140 | 92.5 Ų | 92.5 | 72% | 0.718 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -6.4 | -179.2 | -61.1 | 169.1 | 0 | 0 | 0 | 112.8 | | |
| 34 | N | 29.9 | Very low | 33.5 | Very low | 129 Ų | 129 | 92.8 Ų | 92.8 | 69% | 0.69 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.7 | -4.8 | -149.8 | -70.1 | -40.2 | 0 | 0 | 0 | 118.5 | S32 | S32-N34 PolarHBondContact O-N 3.11Š|
| 35 | L | 28.9 | Very low | 33.1 | Very low | 145 Ų | 145 | 95.3 Ų | 95.3 | 76% | 0.759 | 55% | 0.547 | S | S | * | . | | | trans | -144.7 | 112 | -171.9 | -70.7 | 168.8 | 0 | 0 | 0 | 114 | | |
| 36 | L | 32.5 | Very low | 33.1 | Very low | 82 Ų | 82 | 97.1 Ų | 97.1 | 43% | 0.429 | 56% | 0.557 | S | S | . | * | | | trans | -94.3 | 105.9 | 156.6 | -167.8 | 92.1 | 0 | 0 | 0 | 107.3 | F28 L38 | F28-L36 HydrophobicContact CD1-CD1 4.22Å; F28-L36 HydrophobicContact CE1-CD1 3.32Å; F28-L36 HydrophobicContact CZ-CD1 3.76Å; L36-L38 HydrophobicContact CD2-CD1 4.02Å; L36-L38 HydrophobicContact CD2-CD2 4.29Å; L36-L38 HydrophobicContact CD2-CG 3.96Å; L36-L38 HydrophobicContact CG-CG 4.49Å |
| 37 | K | 35.2 | Very low | 33 | Very low | 105 Ų | 105 | 105.5 Ų | 105.5 | 46% | 0.457 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93 | 110.6 | 174.9 | -167.9 | 173.2 | -179 | 177.7 | 0 | 108.7 | | |
| 38 | L | 32.8 | Very low | 33.1 | Very low | 102 Ų | 102 | 110.3 Ų | 110.3 | 53% | 0.534 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101 | 117.3 | 169.3 | -66.4 | 173.3 | 0 | 0 | 0 | 107.8 | A26 L36 | A26-L38 HydrophobicContact CB-CD2 3.96Å; L36-L38 HydrophobicContact CD2-CD1 4.02Å; L36-L38 HydrophobicContact CD2-CD2 4.29Å; L36-L38 HydrophobicContact CD2-CG 3.96Å; L36-L38 HydrophobicContact CG-CG 4.49Å |
| 39 | S | 31.4 | Very low | 33 | Very low | 33 Ų | 33 | 111.5 Ų | 111.5 | 23% | 0.231 | 61% | 0.605 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.5 | 131.3 | 171.4 | 50.5 | 0 | 0 | 0 | 0 | 109.9 | S25 | S25-S39 PolarHBondContact N-O 3.02Å; S25-S39 PolarHBondContact O-N 2.85Å; S25-S39 PolarHBondContact O-OG 3.42Å; S25-S39 PolarHBondContact OG-OG 3.06Å |
| 40 | V | 31.8 | Very low | 33 | Very low | 82 Ų | 82 | 114.1 Ų | 114.1 | 50% | 0.497 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.8 | 115.2 | 167 | -177 | 0 | 0 | 0 | 0 | 106.4 | L24 A44 F45 | L24-V40 HydrophobicContact CD2-CB 4.31Å; L24-V40 HydrophobicContact CD2-CG1 4.33Å; L24-V40 HydrophobicContact CD2-CG2 3.85Å; V40-A44 HydrophobicContact CG1-CB 3.66Å; V40-F45 HydrophobicContact CG1-CE2 3.9Å; V40-F45 HydrophobicContact CG1-CZ 4.32Å |
| 41 | G | 32.7 | Very low | 33.1 | Very low | 31 Ų | 31 | 116.1 Ų | 116.1 | 32% | 0.32 | 62% | 0.623 | S | S | . | * | | | trans | -66.9 | 142.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | G23 N43 A44 | G23-G41 PolarHBondContact O-N 2.97Å; G41-N43 PolarHBondContact O-N 3Å; G41-A44 WeakPolarHBondContact O-CB 3.48Å; G41-A44 PolarHBondContact O-N 3.46Å |
| 42 | E | 35.3 | Very low | 32.8 | Very low | 178 Ų | 178 | 116.7 Ų | 116.7 | 83% | 0.832 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -50.9 | -22.1 | 177 | -76.4 | -177.3 | 134 | 0 | 0 | 113.6 | A44 | E42-A44 VanDerWaalsContact C-N 3.3Å; E42-A44 PolarHBondContact O-N 3.33Å |
| 43 | N | 36 | Very low | 32.8 | Very low | 158 Ų | 158 | 119.8 Ų | 119.8 | 85% | 0.845 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -79 | -3.4 | 177.4 | -68.1 | -29.7 | 0 | 0 | 0 | 114.9 | G41 F45 | G41-N43 PolarHBondContact O-N 3Å; N43-F45 VanDerWaalsContact C-N 3.33Å |
| 44 | A | 34.5 | Very low | 32.6 | Very low | 44 Ų | 44 | 117.3 Ų | 117.3 | 36% | 0.364 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -80.4 | -16.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V40 G41 E42 P46 | V40-A44 HydrophobicContact CG1-CB 3.66Å; G41-A44 WeakPolarHBondContact O-CB 3.48Å; G41-A44 PolarHBondContact O-N 3.46Å; E42-A44 VanDerWaalsContact C-N 3.3Å; E42-A44 PolarHBondContact O-N 3.33Å; A44-P46 WeakPolarHBondContact O-CD 3.34Å |
| 45 | F | 32.1 | Very low | 32.7 | Very low | 132 Ų | 132 | 118 Ų | 118 | 58% | 0.579 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -89.9 | 119.5 | 176.1 | -64.7 | -79.9 | 0 | 0 | 0 | 109.8 | V40 N43 K47 | V40-F45 HydrophobicContact CG1-CE2 3.9Å; V40-F45 HydrophobicContact CG1-CZ 4.32Å; N43-F45 VanDerWaalsContact C-N 3.33Å; F45-K47 PolarHBondContact O-N 2.86Å |
| 46 | P | 34.1 | Very low | 32.8 | Very low | 106 Ų | 106 | 118.6 Ų | 118.6 | 69% | 0.688 | 64% | 0.642 | S | S | * | * | | | trans | -60 | 116.4 | 164.2 | 23.4 | -28.6 | 0 | 0 | 0 | 107.1 | A44 R48 | A44-P46 WeakPolarHBondContact O-CD 3.34Å; P46-R48 VanDerWaalsContact C-N 3.33Å; P46-R48 PolarHBondContact O-N 3.32Å |
| 47 | K | 37.3 | Very low | 32.9 | Very low | 202 Ų | 202 | 122.3 Ų | 122.3 | 88% | 0.878 | 66% | 0.663 | S | S | * | * | | | trans | -47.5 | 99.7 | 170.7 | -74.4 | -178.8 | 177.1 | -179.4 | 0 | 107.8 | F45 L49 | F45-K47 PolarHBondContact O-N 2.86Å; K47-L49 PolarHBondContact O-N 3.12Å; K47-L49 VanDerWaalsContact O-N 3.12Å |
| 48 | R | 37.1 | Very low | 32.6 | Very low | 181 Ų | 181 | 125.8 Ų | 125.8 | 68% | 0.683 | 69% | 0.685 | S | S | * | * | | | trans | -72.4 | 110 | 174.5 | -79.3 | -168.2 | 177.3 | 170.8 | 3.7 | 106.2 | P46 E50 | P46-R48 VanDerWaalsContact C-N 3.33Å; P46-R48 PolarHBondContact O-N 3.32Å; R48-E50 PolarHBondContact O-N 3.3Å |
| 49 | L | 35.7 | Very low | 32.5 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | | | trans | -43.8 | 128.6 | 159.1 | -130.1 | 85.8 | 0 | 0 | 0 | 107.9 | K47 T51 | K47-L49 PolarHBondContact O-N 3.12Å; K47-L49 VanDerWaalsContact O-N 3.12Å; L49-T51 VanDerWaalsContact C-N 3.27Å; L49-T51 HydrophobicContact CD2-CG2 4.49Å; L49-T51 PolarHBondContact O-N 3.04Å |
| 50 | E | 30.6 | Very low | 32.4 | Very low | 199 Ų | 199 | 128.5 Ų | 128.5 | 93% | 0.93 | 73% | 0.725 | S | S | * | * | | | trans | -60.5 | 90.9 | 168.7 | -69.5 | 178 | 155.5 | 0 | 0 | 109 | R48 | R48-E50 PolarHBondContact O-N 3.3Š|
| 51 | T | 33.9 | Very low | 32.3 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | | | trans | -121.9 | 113.2 | 163.4 | 46.2 | 0 | 0 | 0 | 0 | 107.3 | L49 C53 | L49-T51 VanDerWaalsContact C-N 3.27Å; L49-T51 HydrophobicContact CD2-CG2 4.49Å; L49-T51 PolarHBondContact O-N 3.04Å; T51-C53 PolarHBondContact O-N 3.4Å |
| 52 | A | 27.2 | Very low | 32.2 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | trans | -45.9 | 120.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 53 | C | 28.4 | Very low | 32.2 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | | | trans | -109.1 | 69.8 | 158.9 | -80.1 | 0 | 0 | 0 | 0 | 107.9 | T51 | T51-C53 PolarHBondContact O-N 3.4Š|
| 54 | S | 28.4 | Very low | 32.2 | Very low | 88 Ų | 88 | 134.8 Ų | 134.8 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | | | trans | -65.3 | 144.1 | 144.6 | 46.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 55 | D | 30.5 | Very low | 32.2 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | trans | 93.3 | 50.8 | 169.7 | -47.3 | -27.5 | 0 | 0 | 0 | 118.6 | | |
| 56 | L | 32.4 | Very low | 32.1 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | | | trans | -127.2 | 88.8 | 154.6 | -78.2 | 170.1 | 0 | 0 | 0 | 111.7 | L58 | L56-L58 PolarHBondContact O-N 3.46Å; L56-L58 VanDerWaalsContact O-N 3.14Å |
| 57 | N | 32.8 | Very low | 31.9 | Very low | 160 Ų | 160 | 143 Ų | 143 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | | | trans | -54 | 105.2 | 164.3 | -77.9 | -47.3 | 0 | 0 | 0 | 110.8 | S59 | N57-S59 PolarHBondContact O-N 3.41Š|
| 58 | L | 30.8 | Very low | 31.3 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 93% | 0.927 | 78% | 0.775 | S | S | * | * | | | trans | -90.3 | 87.4 | 166 | -66.9 | 173.5 | 0 | 0 | 0 | 108.9 | L56 | L56-L58 PolarHBondContact O-N 3.46Å; L56-L58 VanDerWaalsContact O-N 3.14Å |
| 59 | S | 29 | Very low | 30.9 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -134.3 | 126.9 | 162.5 | 95.9 | 0 | 0 | 0 | 0 | 108.4 | N57 | N57-S59 PolarHBondContact O-N 3.41Š|
| 60 | G | 30.3 | Very low | 30.7 | Very low | 76 Ų | 76 | 137.9 Ų | 137.9 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | | | trans | 147.6 | 57.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 61 | A | 30.4 | Very low | 30.7 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | | | trans | -52.4 | 150.3 | 150.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 62 | E | 30.5 | Very low | 30.5 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | | | trans | 100 | 114.6 | 145.7 | -153.1 | 175.1 | -174.9 | 0 | 0 | 118.3 | | |
| 63 | K | 34.5 | Very low | 31 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 59% | 0.587 | 79% | 0.792 | S | S | * | * | | | trans | 80.6 | 111.4 | 142.4 | -81.7 | 171.4 | -174.9 | 160.3 | 0 | 120 | | |
| 64 | R | 36.6 | Very low | 31.2 | Very low | 202 Ų | 202 | 140 Ų | 140 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | | 101.6 | 121.7 | 123.5 | -69.9 | 166.8 | 179.3 | 153.5 | -3.5 | 118.2 | | |
| 65 | R | 34.9 | Very low | 31.2 | Very low | 219 Ų | 219 | 143.6 Ų | 143.6 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | trans | 59.7 | 124.1 | 138.7 | -77.1 | -168.1 | -166.2 | 166.7 | 2.9 | 119.6 | | |
| 66 | D | 29.6 | Very low | 31.5 | Very low | 153 Ų | 153 | 148.7 Ų | 148.7 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | 64 | 112 | 137 | -61.2 | -34 | 0 | 0 | 0 | 118.7 | | |
| 67 | G | 29.1 | Very low | 31.3 | Very low | 83 Ų | 83 | 153.1 Ų | 153.1 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | | | trans | 115.4 | 128 | 138.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 68 | G | 25.9 | Very low | 31.4 | Very low | 71 Ų | 71 | 149.7 Ų | 149.7 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | | | trans | 109.6 | 76.6 | 138.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 69 | I | 27.6 | Very low | 31.5 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | | | | 35.9 | 114.8 | 122.5 | -48.4 | 167.1 | 0 | 0 | 0 | 118.8 | | |
| 70 | M | 31.2 | Very low | 31.5 | Very low | 185 Ų | 185 | 148.5 Ų | 148.5 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | | | trans | -151.6 | 111.4 | 132.9 | -68.4 | -164.6 | 95.7 | 0 | 0 | 107 | | |
| 71 | S | 31.5 | Very low | 31.5 | Very low | 89 Ų | 89 | 150.6 Ų | 150.6 | 62% | 0.622 | 80% | 0.8 | S | S | * | * | | | | 56.4 | 127.8 | 69.5 | -166.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 72 | R | 29.8 | Very low | 31.4 | Very low | 227 Ų | 227 | 151.9 Ų | 151.9 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | | | cis | -172.1 | 151.3 | 10.9 | -113.7 | 170.4 | -164.4 | -179.4 | 4.5 | 106 | | |
| 73 | I | 36.3 | Very low | 31.2 | Very low | 181 Ų | 181 | 149.9 Ų | 149.9 | 93% | 0.928 | 80% | 0.802 | S | S | * | * | | | trans | 170.8 | 127.3 | 146.2 | -81.7 | 144.2 | 0 | 0 | 0 | 103.3 | | |
| 74 | G | 32.8 | Very low | 30.9 | Very low | 70 Ų | 70 | 149 Ų | 149 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | | | cis | 149.6 | 112.4 | 14.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 75 | N | 30.1 | Very low | 30.4 | Very low | 163 Ų | 163 | 148.4 Ų | 148.4 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | | | trans | -48.8 | 144.7 | -172 | -62.3 | -41 | 0 | 0 | 0 | 115.9 | | |
| 76 | R | 35.5 | Very low | 30 | Very low | 252 Ų | 252 | 145.6 Ų | 145.6 | 95% | 0.951 | 81% | 0.809 | S | S | * | * | | | trans | -154.1 | 132.2 | 131.7 | -106.9 | 177.1 | -167.8 | -146.6 | 3 | 111.6 | | |
| 77 | R | 28 | Very low | 29.8 | Very low | 251 Ų | 251 | 143 Ų | 143 | 95% | 0.947 | 80% | 0.803 | S | S | * | * | | | trans | -65.4 | 136.7 | 179.3 | -66.5 | 173.2 | 172 | -175.8 | -4 | 110.9 | | |
| 78 | A | 35.2 | Very low | 29.7 | Very low | 88 Ų | 88 | 147.9 Ų | 147.9 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -151.4 | 118.7 | 149.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | S80 | A78-S80 PolarHBondContact O-N 3.42Š|
| 79 | D | 32.2 | Very low | 29.8 | Very low | 169 Ų | 169 | 150.5 Ų | 150.5 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | | | trans | -55.6 | 116.9 | 171 | -63.7 | -62.8 | 0 | 0 | 0 | 109.4 | | |
| 80 | S | 30.8 | Very low | 29.8 | Very low | 100 Ų | 100 | 147.4 Ų | 147.4 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | | | trans | -148.9 | 134.7 | 173.5 | -59.1 | 0 | 0 | 0 | 0 | 110.2 | A78 | A78-S80 PolarHBondContact O-N 3.42Š|
| 81 | P | 29 | Very low | 29.5 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | trans | -67.5 | 143.6 | -174.6 | 28.1 | -33.2 | 0 | 0 | 0 | 111.4 | T83 | P81-T83 PolarHBondContact O-N 3.4Š|
| 82 | S | 27.9 | Very low | 29.4 | Very low | 124 Ų | 124 | 143 Ų | 143 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | | | trans | -63.6 | 99.4 | -176.7 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 83 | T | 26.9 | Very low | 29.2 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 64% | 0.644 | 76% | 0.762 | S | S | * | * | | | trans | -81.9 | 137.8 | 160.3 | 49 | 0 | 0 | 0 | 0 | 109.2 | P81 Y85 | P81-T83 PolarHBondContact O-N 3.4Å; T83-Y85 PolarHBondContact O-N 3.2Å; T83-Y85 VanDerWaalsContact O-N 3.07Å |
| 84 | P | 28.9 | Very low | 28.6 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -74.8 | 5.3 | -174.4 | 31.8 | -35.1 | 0 | 0 | 0 | 114.1 | L86 | P84-L86 PolarHBondContact O-N 3.14Å; P84-L86 VanDerWaalsContact O-N 3.14Å |
| 85 | Y | 24.8 | Very low | 28.3 | Very low | 189 Ų | 189 | 134.1 Ų | 134.1 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | | | trans | -84.4 | 91.5 | -178 | -61.8 | -79.1 | 0 | 0 | 0 | 110.3 | T83 S87 | T83-Y85 PolarHBondContact O-N 3.2Å; T83-Y85 VanDerWaalsContact O-N 3.07Å; Y85-S87 PolarHBondContact O-N 3.05Å |
| 86 | L | 26.7 | Very low | 28.1 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | | | trans | -71.2 | 73.5 | 164.6 | -87.9 | 162.2 | 0 | 0 | 0 | 109.5 | P84 K88 | P84-L86 PolarHBondContact O-N 3.14Å; P84-L86 VanDerWaalsContact O-N 3.14Å; L86-K88 VanDerWaalsContact C-N 3.33Å; L86-K88 PolarHBondContact O-N 3.12Å; L86-K88 VanDerWaalsContact O-N 3.09Å |
| 87 | S | 26.3 | Very low | 27.8 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | | | trans | -77.7 | 84.2 | 165.4 | 57.5 | 0 | 0 | 0 | 0 | 109.2 | Y85 | Y85-S87 PolarHBondContact O-N 3.05Š|
| 88 | K | 27.2 | Very low | 28 | Very low | 184 Ų | 184 | 118.2 Ų | 118.2 | 80% | 0.8 | 71% | 0.71 | S | S | * | * | | | trans | -95.8 | 76.6 | 156.4 | -79.3 | -171.4 | 177.7 | -178.6 | 0 | 107.9 | L86 S90 | L86-K88 VanDerWaalsContact C-N 3.33Å; L86-K88 PolarHBondContact O-N 3.12Å; L86-K88 VanDerWaalsContact O-N 3.09Å; K88-S90 PolarHBondContact O-N 2.91Å; K88-S90 VanDerWaalsContact O-N 3.14Å |
| 89 | V | 27.9 | Very low | 27.8 | Very low | 127 Ų | 127 | 119.9 Ų | 119.9 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | | | trans | -76.2 | 97.8 | 165 | -178.5 | 0 | 0 | 0 | 0 | 106.1 | | |
| 90 | S | 25.9 | Very low | 27.9 | Very low | 97 Ų | 97 | 116 Ų | 116 | 68% | 0.678 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 127.3 | 171.7 | 40 | 0 | 0 | 0 | 0 | 109.4 | K88 | K88-S90 PolarHBondContact O-N 2.91Å; K88-S90 VanDerWaalsContact O-N 3.14Å |
| 91 | T | 26.2 | Very low | 28.2 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 73% | 0.73 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 131.9 | 173.9 | 42.5 | 0 | 0 | 0 | 0 | 111.5 | V93 | T91-V93 PolarHBondContact O-N 3.34Š|
| 92 | P | 28.7 | Very low | 28.7 | Very low | 62 Ų | 62 | 117.1 Ų | 117.1 | 40% | 0.403 | 68% | 0.677 | S | S | . | * | P | Polyproline II helix | trans | -74.1 | 124 | -178.2 | 26.5 | -31.9 | 0 | 0 | 0 | 112.6 | F98 | P92-F98 HydrophobicContact CB-CE1 3.73Å; P92-F98 HydrophobicContact CB-CE2 4.43Å; P92-F98 HydrophobicContact CB-CZ 3.45Å; P92-F98 VanDerWaalsContact CB-CZ 3.45Å; P92-F98 HydrophobicContact CG-CE1 3.95Å; P92-F98 HydrophobicContact CG-CZ 3.78Å |
| 93 | V | 25.5 | Very low | 29.1 | Very low | 91 Ų | 91 | 116.4 Ų | 116.4 | 55% | 0.552 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 147.3 | 158.3 | -172.7 | 0 | 0 | 0 | 0 | 107.7 | T91 G95 E96 | T91-V93 PolarHBondContact O-N 3.34Å; V93-G95 PolarHBondContact O-N 3.25Å; V93-G95 VanDerWaalsContact O-N 3.12Å; V93-E96 HydrophobicContact CB-CG 4.23Å; V93-E96 WeakPolarHBondContact CB-OE2 3.47Å; V93-E96 PolarHBondContact N-OE2 3.24Å; V93-E96 PolarHBondContact O-N 3.14Å |
| 94 | C | 24.7 | Very low | 29.7 | Very low | 115 Ų | 115 | 114.1 Ų | 114.1 | 78% | 0.777 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | 118.5 | -178 | -129.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 95 | G | 25.4 | Very low | 30.1 | Very low | 86 Ų | 86 | 118.7 Ų | 118.7 | 89% | 0.887 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98 | 12.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | V93 | V93-G95 PolarHBondContact O-N 3.25Å; V93-G95 VanDerWaalsContact O-N 3.12Å |
| 96 | E | 27 | Very low | 30.7 | Very low | 112 Ų | 112 | 112 Ų | 112 | 52% | 0.523 | 65% | 0.649 | S | S | . | * | | | trans | -99 | 133.2 | -174.6 | -68.6 | -176.9 | 150.8 | 0 | 0 | 114.3 | V93 F98 | V93-E96 HydrophobicContact CB-CG 4.23Å; V93-E96 WeakPolarHBondContact CB-OE2 3.47Å; V93-E96 PolarHBondContact N-OE2 3.24Å; V93-E96 PolarHBondContact O-N 3.14Å; E96-F98 PolarHBondContact O-N 3.05Å |
| 97 | V | 28.8 | Very low | 31.2 | Very low | 107 Ų | 107 | 109.9 Ų | 109.9 | 65% | 0.648 | 64% | 0.637 | S | S | * | * | | | trans | -62.2 | 121.9 | 171.7 | 176.6 | 0 | 0 | 0 | 0 | 109.7 | N99 | V97-N99 PolarHBondContact O-N 3.44Š|
| 98 | F | 31.1 | Very low | 31.7 | Very low | 113 Ų | 113 | 110 Ų | 110 | 50% | 0.496 | 63% | 0.629 | S | S | . | * | | | trans | -76.1 | 109.5 | 169.8 | -66.8 | -88.4 | 0 | 0 | 0 | 109.8 | P92 E96 V100 | P92-F98 HydrophobicContact CB-CE1 3.73Å; P92-F98 HydrophobicContact CB-CE2 4.43Å; P92-F98 HydrophobicContact CB-CZ 3.45Å; P92-F98 VanDerWaalsContact CB-CZ 3.45Å; P92-F98 HydrophobicContact CG-CE1 3.95Å; P92-F98 HydrophobicContact CG-CZ 3.78Å; E96-F98 PolarHBondContact O-N 3.05Å; F98-V100 PolarHBondContact O-N 3.34Å |
| 99 | N | 31.8 | Very low | 32.1 | Very low | 123 Ų | 123 | 104.6 Ų | 104.6 | 66% | 0.658 | 61% | 0.612 | S | S | * | * | | | trans | -81.1 | 104.5 | 163.5 | -71.3 | -39 | 0 | 0 | 0 | 108.1 | V97 | V97-N99 PolarHBondContact O-N 3.44Š|
| 100 | V | 35.1 | Very low | 32.4 | Very low | 88 Ų | 88 | 105.9 Ų | 105.9 | 53% | 0.533 | 60% | 0.604 | S | S | . | * | | | trans | -95 | 105.5 | 168.3 | -178.3 | 0 | 0 | 0 | 0 | 107.5 | F98 F102 | F98-V100 PolarHBondContact O-N 3.34Å; V100-F102 HydrophobicContact CG1-CD1 4.28Å; V100-F102 WeakPolarHBondContact O-CD1 3.5Å; V100-F102 PolarHBondContact O-N 3.29Å |
| 101 | D | 36.5 | Very low | 32.9 | Very low | 160 Ų | 160 | 104.3 Ų | 104.3 | 86% | 0.856 | 59% | 0.588 | S | S | * | * | | | trans | -79.1 | 112.3 | 168 | -71.4 | -26.9 | 0 | 0 | 0 | 108.3 | | |
| 102 | F | 38.9 | Very low | 33.7 | Very low | 82 Ų | 82 | 104.1 Ų | 104.1 | 36% | 0.36 | 60% | 0.598 | S | S | . | * | | | trans | -122.1 | 140.9 | 170.6 | 61.3 | -78.9 | 0 | 0 | 0 | 110.6 | V100 L104 Y124 | V100-F102 HydrophobicContact CG1-CD1 4.28Å; V100-F102 WeakPolarHBondContact O-CD1 3.5Å; V100-F102 PolarHBondContact O-N 3.29Å; F102-L104 HydrophobicContact CD2-CD2 3.77Å; F102-L104 HydrophobicContact CD2-CG 3.84Å; F102-L104 HydrophobicContact CE2-CD1 3.95Å; F102-L104 HydrophobicContact CE2-CD2 3.31Å; F102-L104 HydrophobicContact CE2-CG 3.57Å; F102-L104 HydrophobicContact CZ-CD1 4.26Å; F102-L104 HydrophobicContact CZ-CD2 4.31Å; F102-L104 HydrophobicContact CZ-CG 4.34Å; F102-L104 PolarHBondContact O-N 2.93Å; F102-Y124 HydrophobicContact CE2-CD1 4.25Å; F102-Y124 HydrophobicContact CE2-CE1 4.33Å; F102-Y124 HydrophobicContact CZ-CD1 4.25Å; F102-Y124 HydrophobicContact CZ-CG 4.31Å |
| 103 | A | 37.5 | Very low | 34.3 | Very low | 109 Ų | 109 | 105.2 Ų | 105.2 | 90% | 0.901 | 61% | 0.607 | S | S | * | * | | | trans | -72.6 | 114.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 104 | L | 38.1 | Very low | 34.7 | Very low | 56 Ų | 56 | 102.7 Ų | 102.7 | 29% | 0.293 | 60% | 0.599 | S | S | . | * | | | trans | -93.4 | 125.5 | 174.8 | -78.6 | 174.1 | 0 | 0 | 0 | 111 | F102 V106 Y124 M150 | F102-L104 HydrophobicContact CD2-CD2 3.77Å; F102-L104 HydrophobicContact CD2-CG 3.84Å; F102-L104 HydrophobicContact CE2-CD1 3.95Å; F102-L104 HydrophobicContact CE2-CD2 3.31Å; F102-L104 HydrophobicContact CE2-CG 3.57Å; F102-L104 HydrophobicContact CZ-CD1 4.26Å; F102-L104 HydrophobicContact CZ-CD2 4.31Å; F102-L104 HydrophobicContact CZ-CG 4.34Å; F102-L104 PolarHBondContact O-N 2.93Å; L104-V106 HydrophobicContact CB-CG2 4.24Å; L104-V106 PolarHBondContact O-N 3.43Å; L104-Y124 HydrophobicContact CD1-CD2 4.2Å; L104-Y124 HydrophobicContact CD1-CE2 3.76Å; L104-Y124 HydrophobicContact CD2-CE1 3.75Å; L104-Y124 HydrophobicContact CD2-CE2 3.79Å; L104-Y124 WeakPolarHBondContact CD2-OH 3.43Å; L104-Y124 HydrophobicContact CG-CE2 4.44Å; L104-M150 HydrophobicContact CD1-CE 4.38Å |
| 105 | K | 38.7 | Very low | 35 | Very low | 212 Ų | 212 | 101 Ų | 101 | 92% | 0.922 | 59% | 0.585 | S | S | * | * | | | trans | -77.3 | 106.9 | 163 | -75.8 | -178.5 | -178.3 | 171.4 | 0 | 108 | | |
| 106 | V | 36.1 | Very low | 35.5 | Very low | 50 Ų | 50 | 103.5 Ų | 103.5 | 30% | 0.303 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -100.5 | 127.3 | 174.6 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | L104 L108 A118 W152 | L104-V106 HydrophobicContact CB-CG2 4.24Å; L104-V106 PolarHBondContact O-N 3.43Å; V106-L108 PolarHBondContact O-N 3.09Å; V106-A118 HydrophobicContact CG1-CB 3.49Å; V106-A118 VanDerWaalsContact CG1-CB 3.49Å; V106-W152 HydrophobicContact CG1-CH2 4.38Å; V106-W152 HydrophobicContact CG2-CH2 4.21Å |
| 107 | I | 38.6 | Very low | 35.7 | Very low | 116 Ų | 116 | 100.1 Ų | 100.1 | 60% | 0.595 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -73 | 118.8 | 173.4 | -58.7 | 175.1 | 0 | 0 | 0 | 108.1 | | |
| 108 | L | 37.2 | Very low | 36 | Very low | 101 Ų | 101 | 96.7 Ų | 96.7 | 53% | 0.529 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 125.6 | 172.7 | -63.8 | 174.1 | 0 | 0 | 0 | 109.2 | V106 F116 S117 A118 | V106-L108 PolarHBondContact O-N 3.09Å; L108-F116 HydrophobicContact CB-CD1 4.32Å; L108-F116 HydrophobicContact CD1-CD1 4.34Å; L108-S117 CarbonylContact C-O 3.58Å; L108-S117 WeakPolarHBondContact CA-O 3.17Å; L108-A118 HydrophobicContact CD2-CB 3.95Å |
| 109 | T | 35 | Very low | 36.3 | Very low | 70 Ų | 70 | 99.1 Ų | 99.1 | 43% | 0.429 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.4 | 127.4 | 167.2 | 40.1 | 0 | 0 | 0 | 0 | 109.7 | S117 | T109-S117 PolarHBondContact N-O 3.25Å; T109-S117 PolarHBondContact O-N 3.5Å; T109-S117 PolarHBondContact O-OG 3.39Å; T109-S117 VanDerWaalsContact O-OG 3.09Å; T109-S117 PolarHBondContact OG1-O 2.91Å; T109-S117 VanDerWaalsContact OG1-O 3.06Å; T109-S117 PolarHBondContact OG1-OG 3.02Å |
| 110 | Y | 33.2 | Very low | 36.6 | Very low | 155 Ų | 155 | 98 Ų | 98 | 61% | 0.608 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.6 | 123.2 | 174.1 | -176.4 | -101.2 | 0 | 0 | 0 | 108.8 | F116 | Y110-F116 HydrophobicContact CD2-CD1 4.16Å; Y110-F116 AromaticContact CD2-CE1 3.85Å; Y110-F116 HydrophobicContact CD2-CE1 3.85Å; Y110-F116 HydrophobicContact CD2-CE2 4.28Å; Y110-F116 AromaticContact CD2-CZ 3.91Å; Y110-F116 HydrophobicContact CD2-CZ 3.91Å; Y110-F116 HydrophobicContact CE2-CE2 4.38Å; Y110-F116 HydrophobicContact CE2-CZ 4.25Å |
| 111 | D | 37.4 | Very low | 36.6 | Very low | 64 Ų | 64 | 101.2 Ų | 101.2 | 34% | 0.342 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -97.9 | 164.4 | 172.5 | 67.3 | 25.4 | 0 | 0 | 0 | 111.7 | S113 G114 V115 | D111-S113 VanDerWaalsContact CG-OG 3.25Å; D111-S113 PolarHBondContact O-N 3.07Å; D111-S113 WeakPolarHBondContact OD1-CA 3.47Å; D111-S113 VanDerWaalsContact OD1-CB 3.32Å; D111-S113 WeakPolarHBondContact OD1-CB 3.5Å; D111-S113 PolarHBondContact OD1-N 3.32Å; D111-S113 PolarHBondContact OD1-OG 3.35Å; D111-S113 PolarHBondContact OD2-OG 3.15Å; D111-G114 PolarHBondContact O-N 3.14Å; D111-G114 PolarHBondContact OD1-N 3.29Å; D111-V115 PolarHBondContact N-O 3.27Å; D111-V115 PolarHBondContact OD1-N 2.78Å |
| 112 | A | 43.2 | Very low | 36.4 | Very low | 115 Ų | 115 | 95.9 Ų | 95.9 | 95% | 0.95 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -5.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G114 | A112-G114 VanDerWaalsContact C-N 3.34Š|
| 113 | S | 40.3 | Very low | 36.2 | Very low | 85 Ų | 85 | 103.5 Ų | 103.5 | 59% | 0.594 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -3.5 | 175 | 83.2 | 0 | 0 | 0 | 0 | 113.2 | D111 V115 | D111-S113 VanDerWaalsContact CG-OG 3.25Å; D111-S113 PolarHBondContact O-N 3.07Å; D111-S113 WeakPolarHBondContact OD1-CA 3.47Å; D111-S113 VanDerWaalsContact OD1-CB 3.32Å; D111-S113 WeakPolarHBondContact OD1-CB 3.5Å; D111-S113 PolarHBondContact OD1-N 3.32Å; D111-S113 PolarHBondContact OD1-OG 3.35Å; D111-S113 PolarHBondContact OD2-OG 3.15Å; S113-V115 VanDerWaalsContact C-N 3.29Å; S113-V115 VanDerWaalsContact OG-CG2 3.3Å; S113-V115 WeakPolarHBondContact OG-CG2 3.26Å |
| 114 | G | 33.4 | Very low | 36.1 | Very low | 37 Ų | 37 | 103.9 Ų | 103.9 | 38% | 0.381 | 54% | 0.543 | S | S | . | . | S | Bend | trans | 81.1 | 11 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | D111 A112 | D111-G114 PolarHBondContact O-N 3.14Å; D111-G114 PolarHBondContact OD1-N 3.29Å; A112-G114 VanDerWaalsContact C-N 3.34Å |
| 115 | V | 31.7 | Very low | 35.8 | Very low | 79 Ų | 79 | 107 Ų | 107 | 48% | 0.479 | 57% | 0.565 | S | S | . | * | | | trans | -95.4 | 126.2 | -179.6 | 178.7 | 0 | 0 | 0 | 0 | 109 | D111 S113 S117 | D111-V115 PolarHBondContact N-O 3.27Å; D111-V115 PolarHBondContact OD1-N 2.78Å; S113-V115 VanDerWaalsContact C-N 3.29Å; S113-V115 VanDerWaalsContact OG-CG2 3.3Å; S113-V115 WeakPolarHBondContact OG-CG2 3.26Å; V115-S117 PolarHBondContact O-N 2.86Å |
| 116 | F | 35.8 | Very low | 35.6 | Very low | 139 Ų | 139 | 101.1 Ų | 101.1 | 61% | 0.61 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 118.2 | 165.8 | -68.6 | -84.4 | 0 | 0 | 0 | 108.3 | L108 Y110 | L108-F116 HydrophobicContact CB-CD1 4.32Å; L108-F116 HydrophobicContact CD1-CD1 4.34Å; Y110-F116 HydrophobicContact CD2-CD1 4.16Å; Y110-F116 AromaticContact CD2-CE1 3.85Å; Y110-F116 HydrophobicContact CD2-CE1 3.85Å; Y110-F116 HydrophobicContact CD2-CE2 4.28Å; Y110-F116 AromaticContact CD2-CZ 3.91Å; Y110-F116 HydrophobicContact CD2-CZ 3.91Å; Y110-F116 HydrophobicContact CE2-CE2 4.38Å; Y110-F116 HydrophobicContact CE2-CZ 4.25Å |
| 117 | S | 30.5 | Very low | 35.4 | Very low | 42 Ų | 42 | 102.5 Ų | 102.5 | 29% | 0.294 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.7 | 134 | 171.1 | 53.7 | 0 | 0 | 0 | 0 | 109.1 | L108 T109 V115 | L108-S117 CarbonylContact C-O 3.58Å; L108-S117 WeakPolarHBondContact CA-O 3.17Å; T109-S117 PolarHBondContact N-O 3.25Å; T109-S117 PolarHBondContact O-N 3.5Å; T109-S117 PolarHBondContact O-OG 3.39Å; T109-S117 VanDerWaalsContact O-OG 3.09Å; T109-S117 PolarHBondContact OG1-O 2.91Å; T109-S117 VanDerWaalsContact OG1-O 3.06Å; T109-S117 PolarHBondContact OG1-OG 3.02Å; V115-S117 PolarHBondContact O-N 2.86Å |
| 118 | A | 37 | Very low | 35 | Very low | 35 Ų | 35 | 105 Ų | 105 | 29% | 0.289 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.4 | 114.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | V106 L108 P120 W152 | V106-A118 HydrophobicContact CG1-CB 3.49Å; V106-A118 VanDerWaalsContact CG1-CB 3.49Å; L108-A118 HydrophobicContact CD2-CB 3.95Å; A118-P120 VanDerWaalsContact O-CD 3.26Å; A118-P120 WeakPolarHBondContact O-CD 3.49Å; A118-W152 HydrophobicContact CB-CH2 4.22Å |
| 119 | K | 37.2 | Very low | 34.6 | Very low | 163 Ų | 163 | 107 Ų | 107 | 71% | 0.709 | 57% | 0.57 | S | S | * | * | | | trans | -91.1 | 106.1 | 158.7 | -84.1 | -174.5 | 177.9 | 178.4 | 0 | 106.6 | Q121 | K119-Q121 PolarHBondContact O-N 3.06Š|
| 120 | P | 37.9 | Very low | 34.2 | Very low | 99 Ų | 99 | 113.1 Ų | 113.1 | 64% | 0.643 | 59% | 0.585 | S | S | * | * | | | trans | -59.2 | 109.3 | 168.1 | 23.4 | -29.6 | 0 | 0 | 0 | 107.3 | A118 S122 | A118-P120 VanDerWaalsContact O-CD 3.26Å; A118-P120 WeakPolarHBondContact O-CD 3.49Å; P120-S122 PolarHBondContact O-N 3.09Å |
| 121 | Q | 33.8 | Very low | 34 | Very low | 156 Ų | 156 | 110 Ų | 110 | 73% | 0.729 | 58% | 0.582 | S | S | * | * | | | trans | -76.5 | -4.8 | 175.8 | -74.4 | -177 | -21.2 | 0 | 0 | 111.9 | K119 | K119-Q121 PolarHBondContact O-N 3.06Š|
| 122 | S | 33.5 | Very low | 33.4 | Very low | 49 Ų | 49 | 112.8 Ų | 112.8 | 34% | 0.343 | 59% | 0.593 | S | S | . | * | | | trans | -132.9 | 131.4 | -170.6 | -40.5 | 0 | 0 | 0 | 0 | 109.9 | P120 | P120-S122 PolarHBondContact O-N 3.09Š|
| 123 | R | 33.7 | Very low | 32.5 | Very low | 241 Ų | 241 | 114.7 Ų | 114.7 | 91% | 0.909 | 58% | 0.582 | S | S | * | * | | | trans | -90.6 | 129.1 | 160.4 | -71.6 | -175.3 | -129 | -177.3 | 3.3 | 107.3 | | |
| 124 | Y | 36.5 | Very low | 31.8 | Very low | 117 Ų | 117 | 116 Ų | 116 | 46% | 0.459 | 59% | 0.587 | S | S | . | * | | | trans | -93 | 125.2 | 172.1 | -60.5 | -85.6 | 0 | 0 | 0 | 108 | F102 L104 | F102-Y124 HydrophobicContact CE2-CD1 4.25Å; F102-Y124 HydrophobicContact CE2-CE1 4.33Å; F102-Y124 HydrophobicContact CZ-CD1 4.25Å; F102-Y124 HydrophobicContact CZ-CG 4.31Å; L104-Y124 HydrophobicContact CD1-CD2 4.2Å; L104-Y124 HydrophobicContact CD1-CE2 3.76Å; L104-Y124 HydrophobicContact CD2-CE1 3.75Å; L104-Y124 HydrophobicContact CD2-CE2 3.79Å; L104-Y124 WeakPolarHBondContact CD2-OH 3.43Å; L104-Y124 HydrophobicContact CG-CE2 4.44Å |
| 125 | V | 31.9 | Very low | 31.4 | Very low | 122 Ų | 122 | 120.6 Ų | 120.6 | 74% | 0.739 | 61% | 0.607 | S | S | * | * | | | trans | -117.2 | 124.3 | 172.7 | -179.9 | 0 | 0 | 0 | 0 | 106.7 | | |
| 126 | I | 33.8 | Very low | 31.1 | Very low | 89 Ų | 89 | 124.9 Ų | 124.9 | 46% | 0.456 | 62% | 0.622 | S | S | . | * | | | trans | -106.2 | 108.5 | 171.8 | -56.1 | 172.9 | 0 | 0 | 0 | 105.2 | I146 | I126-I146 HydrophobicContact CG2-CD1 4.14Š|
| 127 | S | 31.8 | Very low | 30.7 | Very low | 79 Ų | 79 | 125.4 Ų | 125.4 | 55% | 0.552 | 63% | 0.632 | S | S | * | * | | | trans | -120.6 | 141.6 | 173.8 | 61.5 | 0 | 0 | 0 | 0 | 110.1 | E129 | S127-E129 PolarHBondContact O-N 2.87Š|
| 128 | E | 30.3 | Very low | 30.7 | Very low | 169 Ų | 169 | 132.4 Ų | 132.4 | 79% | 0.79 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -75.7 | -1.7 | 179.6 | -68.1 | -171.7 | 150.1 | 0 | 0 | 113.9 | | |
| 129 | E | 28.4 | Very low | 30.3 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 66% | 0.664 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -105.5 | 125.5 | -176.5 | -76.5 | -178 | 150.4 | 0 | 0 | 112.5 | S127 V131 | S127-E129 PolarHBondContact O-N 2.87Å; E129-V131 HydrophobicContact CB-CG2 4.49Å; E129-V131 PolarHBondContact O-N 2.77Å |
| 130 | W | 27.7 | Very low | 29.8 | Very low | 198 Ų | 198 | 132.2 Ų | 132.2 | 75% | 0.75 | 67% | 0.674 | S | S | * | * | | | trans | -55.1 | 106.5 | 155.8 | -76.6 | 66.2 | 0 | 0 | 0 | 108.5 | H132 | W130-H132 AromaticContact CE3-CD2 3.97Š|
| 131 | V | 27.3 | Very low | 29.3 | Very low | 89 Ų | 89 | 134.8 Ų | 134.8 | 54% | 0.539 | 68% | 0.682 | S | S | . | * | | | trans | -115.2 | 95.5 | 156.2 | -171.2 | 0 | 0 | 0 | 0 | 107.5 | E129 F138 | E129-V131 HydrophobicContact CB-CG2 4.49Å; E129-V131 PolarHBondContact O-N 2.77Å; V131-F138 HydrophobicContact CG1-CZ 4.09Å; V131-F138 HydrophobicContact CG2-CZ 4.22Å |
| 132 | H | 25.6 | Very low | 28.8 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 57% | 0.569 | 69% | 0.687 | S | S | * | * | | | trans | -64 | 127.9 | 156.1 | -106.7 | -92.2 | 0 | 0 | 0 | 108 | W130 | W130-H132 AromaticContact CE3-CD2 3.97Š|
| 133 | E | 23.7 | Very low | 28.5 | Very low | 155 Ų | 155 | 136 Ų | 136 | 72% | 0.724 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 71.2 | 141.2 | 143.8 | -124.5 | 174 | 169.4 | 0 | 0 | 119.6 | | |
| 134 | T | 25.6 | Very low | 28.1 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 70% | 0.699 | 70% | 0.697 | S | S | * | * | | | trans | 79.8 | 111.7 | 158.7 | 64.3 | 0 | 0 | 0 | 0 | 117.7 | E136 | T134-E136 PolarHBondContact O-N 3.48Š|
| 135 | T | 26 | Very low | 27.6 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 81% | 0.81 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -35.4 | 103.8 | 146.7 | 34.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 136 | E | 25.7 | Very low | 27.5 | Very low | 170 Ų | 170 | 127.9 Ų | 127.9 | 79% | 0.794 | 70% | 0.695 | S | S | * | * | | | trans | 168 | 130.7 | 141.3 | -89 | 157.7 | -163.4 | 0 | 0 | 109.2 | T134 | T134-E136 PolarHBondContact O-N 3.48Š|
| 137 | D | 27.6 | Very low | 27.2 | Very low | 150 Ų | 150 | 128.2 Ų | 128.2 | 80% | 0.802 | 71% | 0.705 | S | S | * | * | | | trans | 65.5 | 72.3 | 158.7 | -57.4 | -18.8 | 0 | 0 | 0 | 120.6 | S139 | D137-S139 VanDerWaalsContact C-N 3.34Å; D137-S139 PolarHBondContact O-N 2.63Å |
| 138 | F | 29.8 | Very low | 27.1 | Very low | 189 Ų | 189 | 127.5 Ų | 127.5 | 83% | 0.829 | 71% | 0.71 | S | S | * | * | | | trans | -82.7 | 79.3 | 153.6 | -83.2 | -85.8 | 0 | 0 | 0 | 110.9 | V131 S140 | V131-F138 HydrophobicContact CG1-CZ 4.09Å; V131-F138 HydrophobicContact CG2-CZ 4.22Å; F138-S140 PolarHBondContact O-N 3.21Å |
| 139 | S | 27.8 | Very low | 27 | Very low | 98 Ų | 98 | 124.1 Ų | 124.1 | 69% | 0.685 | 71% | 0.705 | S | S | * | * | | | trans | -78 | 113.7 | 163.1 | 64.8 | 0 | 0 | 0 | 0 | 109.8 | D137 N141 | D137-S139 VanDerWaalsContact C-N 3.34Å; D137-S139 PolarHBondContact O-N 2.63Å; S139-N141 PolarHBondContact O-N 3.35Å |
| 140 | S | 27.9 | Very low | 26.9 | Very low | 95 Ų | 95 | 122.3 Ų | 122.3 | 66% | 0.664 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 25.7 | 94.6 | 148 | 57.4 | 0 | 0 | 0 | 0 | 116.4 | F138 | F138-S140 PolarHBondContact O-N 3.21Š|
| 141 | N | 25.8 | Very low | 26.9 | Very low | 154 Ų | 154 | 121.1 Ų | 121.1 | 82% | 0.824 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 175 | 125 | 133.2 | -82.7 | -29.7 | 0 | 0 | 0 | 109.4 | S139 | S139-N141 PolarHBondContact O-N 3.35Š|
| 142 | C | 25.3 | Very low | 26.8 | Very low | 121 Ų | 121 | 124.1 Ų | 124.1 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | | | trans | 74 | 76.5 | 166.5 | -51.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 143 | S | 25.3 | Very low | 26.9 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 77% | 0.769 | 71% | 0.709 | S | S | * | * | | | trans | -107.7 | 102.1 | 161.6 | 21.7 | 0 | 0 | 0 | 0 | 110.5 | I145 | S143-I145 PolarHBondContact O-N 3.42Š|
| 144 | A | 25.7 | Very low | 27.1 | Very low | 85 Ų | 85 | 125.5 Ų | 125.5 | 70% | 0.702 | 72% | 0.715 | S | S | * | * | | | trans | -69.4 | 113.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 145 | I | 27.4 | Very low | 27.3 | Very low | 154 Ų | 154 | 126.1 Ų | 126.1 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | | | trans | -88.4 | 110.2 | 178.5 | -64.3 | 161 | 0 | 0 | 0 | 108.4 | S143 | S143-I145 PolarHBondContact O-N 3.42Š|
| 146 | I | 28.9 | Very low | 27.5 | Very low | 69 Ų | 69 | 127.4 Ų | 127.4 | 35% | 0.354 | 72% | 0.72 | S | S | . | * | | | trans | -88.7 | 107.9 | 166.2 | -59.3 | 173.9 | 0 | 0 | 0 | 107.7 | I126 | I126-I146 HydrophobicContact CG2-CD1 4.14Š|
| 147 | S | 27.8 | Very low | 27.6 | Very low | 96 Ų | 96 | 125.9 Ų | 125.9 | 67% | 0.671 | 72% | 0.722 | S | S | * | * | | | trans | -94.9 | 112.2 | 177.6 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 148 | G | 29.4 | Very low | 27.5 | Very low | 64 Ų | 64 | 121.7 Ų | 121.7 | 66% | 0.66 | 71% | 0.714 | S | S | * | * | | | trans | -96.6 | 138.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 149 | S | 27.4 | Very low | 27.6 | Very low | 98 Ų | 98 | 117.1 Ų | 117.1 | 69% | 0.685 | 71% | 0.706 | S | S | * | * | | | trans | -95.7 | 130.6 | 175.2 | 48.3 | 0 | 0 | 0 | 0 | 111.1 | H151 | S149-H151 PolarHBondContact O-N 3.03Š|
| 150 | M | 28.2 | Very low | 27.7 | Very low | 104 Ų | 104 | 119 Ų | 119 | 51% | 0.512 | 71% | 0.714 | S | S | . | * | | | trans | -89.6 | 105.8 | 175.8 | -162.4 | -174.2 | -42 | 0 | 0 | 109.2 | L104 W152 | L104-M150 HydrophobicContact CD1-CE 4.38Å; M150-W152 PolarHBondContact O-N 3.19Å; M150-W152 HydrophobicContact SD-CH2 4.1Å; M150-W152 HydrophobicContact SD-CZ2 3.47Å; M150-W152 WeakPolarHBondContact SD-CZ2 3.32Å |
| 151 | H | 26.6 | Very low | 27.7 | Very low | 174 Ų | 174 | 122 Ų | 122 | 81% | 0.806 | 72% | 0.716 | S | S | * | * | | | trans | -80.3 | 103.3 | 170.8 | -105.3 | -68.3 | 0 | 0 | 0 | 109.7 | S149 P153 | S149-H151 PolarHBondContact O-N 3.03Å; H151-P153 WeakPolarHBondContact O-CD 3.3Å |
| 152 | W | 25.7 | Very low | 27.9 | Very low | 152 Ų | 152 | 122.9 Ų | 122.9 | 58% | 0.576 | 72% | 0.72 | S | S | * | * | | | trans | -66.2 | 125 | 166.9 | -65.5 | 94 | 0 | 0 | 0 | 108.8 | V106 A118 M150 K154 | V106-W152 HydrophobicContact CG1-CH2 4.38Å; V106-W152 HydrophobicContact CG2-CH2 4.21Å; A118-W152 HydrophobicContact CB-CH2 4.22Å; M150-W152 PolarHBondContact O-N 3.19Å; M150-W152 HydrophobicContact SD-CH2 4.1Å; M150-W152 HydrophobicContact SD-CZ2 3.47Å; M150-W152 WeakPolarHBondContact SD-CZ2 3.32Å; W152-K154 PolarHBondContact O-N 3.04Å; W152-K154 VanDerWaalsContact O-N 3.15Å |
| 153 | P | 26.5 | Very low | 28.2 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 71% | 0.708 | 72% | 0.724 | S | S | * | * | | | trans | -57.9 | 126 | 167.3 | 23.3 | -29.2 | 0 | 0 | 0 | 106.6 | H151 V155 | H151-P153 WeakPolarHBondContact O-CD 3.3Å; P153-V155 PolarHBondContact O-N 2.55Å |
| 154 | K | 29.7 | Very low | 28.3 | Very low | 198 Ų | 198 | 132.6 Ų | 132.6 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | | | trans | -47.9 | 105.7 | 174.4 | -81.2 | 176.3 | 176.2 | 173.6 | 0 | 107.5 | W152 L156 | W152-K154 PolarHBondContact O-N 3.04Å; W152-K154 VanDerWaalsContact O-N 3.15Å; K154-L156 PolarHBondContact O-N 3.33Å |
| 155 | V | 28 | Very low | 28.6 | Very low | 126 Ų | 126 | 137 Ų | 137 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | | | trans | -46.5 | 129 | 162.7 | 173 | 0 | 0 | 0 | 0 | 105.3 | P153 T157 | P153-V155 PolarHBondContact O-N 2.55Å; V155-T157 PolarHBondContact O-N 2.98Å |
| 156 | L | 30.7 | Very low | 28.7 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | | | trans | -47.1 | 80.9 | 176.1 | -78.3 | 133.7 | 0 | 0 | 0 | 111 | K154 G158 | K154-L156 PolarHBondContact O-N 3.33Å; L156-G158 PolarHBondContact O-N 3.38Å |
| 157 | T | 28.3 | Very low | 28.7 | Very low | 137 Ų | 137 | 143 Ų | 143 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | | | trans | -75.6 | 84.6 | 161.5 | 47.3 | 0 | 0 | 0 | 0 | 105.6 | V155 | V155-T157 PolarHBondContact O-N 2.98Š|
| 158 | G | 26.4 | Very low | 28.9 | Very low | 62 Ų | 62 | 143.2 Ų | 143.2 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | | | trans | 155.3 | 72.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L156 | L156-G158 PolarHBondContact O-N 3.38Š|
| 159 | S | 30.2 | Very low | 28.8 | Very low | 93 Ų | 93 | 147.5 Ų | 147.5 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | | | | 179.5 | 120.8 | 128.4 | -167.9 | 0 | 0 | 0 | 0 | 110.5 | H161 | S159-H161 PolarHBondContact O-N 3Š|
| 160 | T | 29.8 | Very low | 29.1 | Very low | 139 Ų | 139 | 148 Ų | 148 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | trans | -72 | 44.1 | 173.9 | 40.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 161 | H | 29.7 | Very low | 29.1 | Very low | 156 Ų | 156 | 151.7 Ų | 151.7 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | | | trans | -122.8 | 85.2 | 176.4 | -77 | -61.7 | 0 | 0 | 0 | 112 | S159 R163 | S159-H161 PolarHBondContact O-N 3Å; H161-R163 PolarHBondContact O-N 3.33Å |
| 162 | L | 28.7 | Very low | 29.3 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | | | trans | -37.4 | 107.3 | 150.3 | -76.3 | 156.9 | 0 | 0 | 0 | 110.4 | | |
| 163 | R | 31.8 | Very low | 29.5 | Very low | 240 Ų | 240 | 146.9 Ų | 146.9 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | | | trans | -109.2 | 102.4 | 149.9 | -102 | -172.8 | -179.6 | 173.4 | 1.4 | 108.1 | H161 L165 | H161-R163 PolarHBondContact O-N 3.33Å; R163-L165 PolarHBondContact O-N 3.32Å |
| 164 | K | 28.1 | Very low | 29.8 | Very low | 195 Ų | 195 | 149.2 Ų | 149.2 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | | | trans | -35.2 | 107.2 | 162.9 | -72.1 | 170.1 | 172.3 | 175.8 | 0 | 110.1 | S166 | K164-S166 VanDerWaalsContact C-N 3.27Å; K164-S166 PolarHBondContact O-N 2.93Å |
| 165 | L | 31.6 | Very low | 29.9 | Very low | 178 Ų | 178 | 143.4 Ų | 143.4 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | | | trans | -88.5 | 81 | 159.9 | -80.9 | 166.5 | 0 | 0 | 0 | 107.3 | R163 | R163-L165 PolarHBondContact O-N 3.32Š|
| 166 | S | 30.1 | Very low | 30.2 | Very low | 99 Ų | 99 | 145.9 Ų | 145.9 | 69% | 0.692 | 81% | 0.813 | S | S | * | * | | | trans | -57.3 | 130.1 | 161 | 44.7 | 0 | 0 | 0 | 0 | 110 | K164 A168 | K164-S166 VanDerWaalsContact C-N 3.27Å; K164-S166 PolarHBondContact O-N 2.93Å; S166-A168 PolarHBondContact O-N 3.49Å |
| 167 | R | 28.1 | Very low | 30.5 | Very low | 251 Ų | 251 | 143.8 Ų | 143.8 | 95% | 0.947 | 81% | 0.809 | S | S | * | * | | | trans | -3.5 | 118.6 | 149 | -75.3 | 174.4 | 169.3 | 174.9 | -4.4 | 114.6 | | |
| 168 | A | 32.2 | Very low | 31 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -150.7 | 103.6 | 152.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | S166 | S166-A168 PolarHBondContact O-N 3.49Š|
| 169 | N | 28.1 | Very low | 31.3 | Very low | 155 Ų | 155 | 151.8 Ų | 151.8 | 83% | 0.829 | 82% | 0.82 | S | S | * | * | | | trans | -58.6 | 166.2 | 155.6 | -78.6 | -21.5 | 0 | 0 | 0 | 109.8 | | |
| 170 | S | 31.7 | Very low | 31.6 | Very low | 108 Ų | 108 | 155.6 Ų | 155.6 | 76% | 0.755 | 83% | 0.827 | S | S | * | * | | | trans | 81.6 | 106.8 | 163 | 68 | 0 | 0 | 0 | 0 | 118.2 | | |
| 171 | L | 30.1 | Very low | 31.8 | Very low | 181 Ų | 181 | 155.2 Ų | 155.2 | 95% | 0.948 | 83% | 0.825 | S | S | * | * | | | | 33.2 | 114.4 | 122.5 | -70.9 | 157.5 | 0 | 0 | 0 | 117 | | |
| 172 | G | 29.3 | Very low | 31.8 | Very low | 70 Ų | 70 | 154.3 Ų | 154.3 | 72% | 0.722 | 84% | 0.835 | S | S | * | * | | | trans | 172.6 | 81.5 | 167 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 173 | I | 31.2 | Very low | 32 | Very low | 155 Ų | 155 | 157.9 Ų | 157.9 | 80% | 0.795 | 84% | 0.836 | S | S | * | * | | | | 47.3 | 117.7 | 127.9 | -55 | 169.9 | 0 | 0 | 0 | 118.6 | | |
| 174 | L | 31.2 | Very low | 32.1 | Very low | 159 Ų | 159 | 157.1 Ų | 157.1 | 83% | 0.832 | 83% | 0.833 | S | S | * | * | | | trans | 28.7 | 118 | 151.4 | -78.3 | 97.6 | 0 | 0 | 0 | 119.8 | | |
| 175 | G | 32.2 | Very low | 32.5 | Very low | 76 Ų | 76 | 159.9 Ų | 159.9 | 78% | 0.784 | 84% | 0.838 | S | S | * | * | | | trans | -152.1 | 106.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 176 | H | 34.6 | Very low | 32.7 | Very low | 177 Ų | 177 | 155.9 Ų | 155.9 | 82% | 0.819 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 143.6 | 174.9 | -77.6 | -47.3 | 0 | 0 | 0 | 112.1 | | |
| 177 | P | 37.9 | Very low | 32.8 | Very low | 116 Ų | 116 | 161 Ų | 161 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 140.6 | 173.1 | 28 | -31.4 | 0 | 0 | 0 | 110.9 | | |
| 178 | P | 38.1 | Very low | 33.3 | Very low | 118 Ų | 118 | 154.4 Ų | 154.4 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -73 | 135.1 | -173.1 | 28.1 | -32.6 | 0 | 0 | 0 | 112.4 | Q180 | P178-Q180 PolarHBondContact O-N 3.27Š|
| 179 | R | 33.3 | Very low | 33.4 | Very low | 250 Ų | 250 | 159.5 Ų | 159.5 | 94% | 0.943 | 84% | 0.844 | S | S | * | * | | | trans | -64.7 | 112.2 | 164.7 | -80.4 | 178.2 | 162.4 | -177.6 | -3.7 | 109.9 | | |
| 180 | Q | 35.4 | Very low | 33.7 | Very low | 172 Ų | 172 | 159.7 Ų | 159.7 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | | | trans | -143.6 | 94.3 | 160.5 | -97.1 | 176.3 | 11.7 | 0 | 0 | 111.2 | P178 | P178-Q180 PolarHBondContact O-N 3.27Š|
| 181 | T | 34.6 | Very low | 33.8 | Very low | 131 Ų | 131 | 162.4 Ų | 162.4 | 80% | 0.804 | 85% | 0.85 | S | S | * | * | | | | 88.9 | 96.9 | 109.3 | 52.4 | 0 | 0 | 0 | 0 | 115 | R183 | T181-R183 PolarHBondContact O-N 3.05Š|
| 182 | C | 28.7 | Very low | 34 | Very low | 138 Ų | 138 | 161.4 Ų | 161.4 | 93% | 0.932 | 84% | 0.844 | S | S | * | * | | | trans | -55.6 | 118.6 | 164.4 | -60.6 | 0 | 0 | 0 | 0 | 111 | | |
| 183 | R | 34.3 | Very low | 34.3 | Very low | 248 Ų | 248 | 166.8 Ų | 166.8 | 94% | 0.936 | 85% | 0.852 | S | S | * | * | | | trans | -96.4 | 99.4 | 163.6 | -137.5 | 177.4 | -174.2 | 179.9 | 2.2 | 109.2 | T181 R185 | T181-R183 PolarHBondContact O-N 3.05Å; R183-R185 PolarHBondContact O-N 3.03Å |
| 184 | R | 32.6 | Very low | 34.4 | Very low | 223 Ų | 223 | 167.5 Ų | 167.5 | 84% | 0.842 | 86% | 0.855 | S | S | * | * | | | trans | -64.2 | 114.8 | 172.5 | -145.5 | 179.5 | -176.1 | 176.1 | 0.1 | 108.3 | T186 | R184-T186 HydrophobicContact CG-CG2 4.35Š|
| 185 | R | 36.4 | Very low | 34.7 | Very low | 253 Ų | 253 | 168.1 Ų | 168.1 | 96% | 0.955 | 86% | 0.857 | S | S | * | * | | | trans | -105.7 | 103.9 | 157.8 | -93.4 | -171.5 | 170.8 | -176.6 | -2.2 | 108.2 | R183 | R183-R185 PolarHBondContact O-N 3.03Š|
| 186 | T | 37.2 | Very low | 34.8 | Very low | 94 Ų | 94 | 174.6 Ų | 174.6 | 58% | 0.577 | 86% | 0.862 | S | S | * | * | | | trans | -86.2 | 129.8 | 173.6 | 33.2 | 0 | 0 | 0 | 0 | 111.2 | R184 | R184-T186 HydrophobicContact CG-CG2 4.35Š|
| 187 | K | 32.2 | Very low | 34.9 | Very low | 206 Ų | 206 | 174.5 Ų | 174.5 | 90% | 0.896 | 87% | 0.865 | S | S | * | * | | | trans | 66.5 | 147.4 | 142 | -62.4 | -176.4 | 178.8 | -175.2 | 0 | 116.5 | | |
| 188 | S | 37 | Very low | 34.6 | Very low | 113 Ų | 113 | 179.3 Ų | 179.3 | 79% | 0.79 | 87% | 0.874 | S | S | * | * | | | cis | -137.6 | 165.4 | 38.2 | 65.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 189 | V | 35.4 | Very low | 34.3 | Very low | 206 Ų | 206 | 184.9 Ų | 184.9 | 100% | 1.248 | 88% | 0.884 | S | S | * | * | | | trans | -63.5 | 0 | 153.7 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | | |