| 1 | M | 48.3 | Very low | 51.6 | Low | 246 Ų | 246 | 144.7 Ų | 144.7 | 100% | 1.212 | 85% | 0.848 | S | S | * | * | | | | 0 | 61.2 | 0 | -68.2 | -74.8 | -170.3 | 0 | 0 | 110.9 | | |
| 2 | K | 50 | Low | 51.4 | Low | 212 Ų | 212 | 143.1 Ų | 143.1 | 92% | 0.922 | 85% | 0.845 | S | S | * | * | | | trans | -143.2 | 20.5 | 179.9 | -79.3 | -164.4 | 177.3 | -168.7 | 0 | 113.8 | | |
| 3 | A | 54.7 | Low | 50.9 | Low | 98 Ų | 98 | 145.4 Ų | 145.4 | 81% | 0.81 | 85% | 0.848 | S | S | * | * | | | trans | -113.6 | 29.4 | -164 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 4 | L | 59.1 | Low | 50.5 | Low | 169 Ų | 169 | 139.2 Ų | 139.2 | 89% | 0.885 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -129.3 | 10.1 | -174 | -66.9 | 170.2 | 0 | 0 | 0 | 115.4 | | |
| 5 | L | 57.9 | Low | 50.4 | Low | 174 Ų | 174 | 140.5 Ų | 140.5 | 91% | 0.911 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -108.4 | 12.5 | -175.9 | -111.9 | 80.5 | 0 | 0 | 0 | 115.1 | | |
| 6 | E | 51.9 | Low | 50 | Low | 201 Ų | 201 | 136 Ų | 136 | 94% | 0.939 | 83% | 0.831 | S | S | * | * | | | trans | -116.9 | 73.9 | 177.1 | -66.7 | -179.4 | -174.5 | 0 | 0 | 108.4 | | |
| 7 | G | 54.4 | Low | 50.3 | Low | 71 Ų | 71 | 133.4 Ų | 133.4 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | | | trans | -116 | 101 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | A9 | G7-A9 PolarHBondContact O-N 2.9Š|
| 8 | D | 45.8 | Very low | 50.6 | Low | 138 Ų | 138 | 136.7 Ų | 136.7 | 74% | 0.738 | 83% | 0.828 | S | S | * | * | | | trans | -39.4 | 120.6 | 171 | -178.3 | 14.1 | 0 | 0 | 0 | 113.5 | T10 | D8-T10 VanDerWaalsContact OD1-CB 3.29Å; D8-T10 WeakPolarHBondContact OD1-CB 3.25Å; D8-T10 PolarHBondContact OD1-N 3.02Å; D8-T10 PolarHBondContact OD1-OG1 2.74Å |
| 9 | A | 51.7 | Low | 51.1 | Low | 103 Ų | 103 | 134.3 Ų | 134.3 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | | | trans | -101.5 | 31.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G7 | G7-A9 PolarHBondContact O-N 2.9Š|
| 10 | T | 45 | Very low | 51.4 | Low | 126 Ų | 126 | 139.9 Ų | 139.9 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | | | trans | -114.6 | 68.6 | -173.5 | -30 | 0 | 0 | 0 | 0 | 110.7 | D8 | D8-T10 VanDerWaalsContact OD1-CB 3.29Å; D8-T10 WeakPolarHBondContact OD1-CB 3.25Å; D8-T10 PolarHBondContact OD1-N 3.02Å; D8-T10 PolarHBondContact OD1-OG1 2.74Å |
| 11 | G | 48.9 | Very low | 52.3 | Low | 54 Ų | 54 | 135.9 Ų | 135.9 | 56% | 0.557 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -159.8 | 139.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 12 | P | 48.9 | Very low | 53.8 | Low | 125 Ų | 125 | 133.9 Ų | 133.9 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -70.1 | 143.8 | -176.2 | 32.2 | -32.2 | 0 | 0 | 0 | 109 | | |
| 13 | I | 45.3 | Very low | 54.9 | Low | 173 Ų | 173 | 129.6 Ų | 129.6 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 79.5 | 56.2 | 179.4 | -39.5 | 160.4 | 0 | 0 | 0 | 113 | | |
| 14 | G | 44.7 | Very low | 56.1 | Low | 59 Ų | 59 | 130.1 Ų | 130.1 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | | | trans | -98 | 102.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G16 | G14-G16 PolarHBondContact O-N 2.92Š|
| 15 | V | 48.6 | Very low | 57.5 | Low | 159 Ų | 159 | 124.5 Ų | 124.5 | 96% | 0.964 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 84 | 157.8 | -178.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 16 | G | 45.5 | Very low | 58.9 | Low | 68 Ų | 68 | 124 Ų | 124 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 156.7 | 19.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | G14 K18 | G14-G16 PolarHBondContact O-N 2.92Å; G16-K18 PolarHBondContact O-N 2.76Å |
| 17 | A | 54.9 | Low | 60.7 | Low | 91 Ų | 91 | 119.5 Ų | 119.5 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | | | trans | -60.2 | 107.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | A19 | A17-A19 PolarHBondContact O-N 3.06Š|
| 18 | K | 54.4 | Low | 62.2 | Low | 194 Ų | 194 | 120.5 Ų | 120.5 | 84% | 0.843 | 72% | 0.716 | S | S | * | * | | | trans | -57.2 | 85.2 | 161.2 | -78.3 | 179.1 | 178 | 172.7 | 0 | 107.1 | G16 R20 | G16-K18 PolarHBondContact O-N 2.76Å; K18-R20 PolarHBondContact O-N 3.45Å |
| 19 | A | 60.4 | Low | 64.1 | Low | 91 Ų | 91 | 115.6 Ų | 115.6 | 75% | 0.752 | 70% | 0.695 | S | S | * | * | | | trans | -69.5 | 80.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | A17 G21 | A17-A19 PolarHBondContact O-N 3.06Å; A19-G21 PolarHBondContact O-N 3.09Å |
| 20 | R | 58.2 | Low | 65.8 | Low | 246 Ų | 246 | 114 Ų | 114 | 93% | 0.928 | 67% | 0.672 | S | S | * | * | | | trans | -73.8 | 38.1 | 166.4 | -74.6 | -179.1 | 78 | 161.6 | 3.1 | 110.7 | K18 | K18-R20 PolarHBondContact O-N 3.45Š|
| 21 | G | 69.9 | Low | 67.8 | Low | 55 Ų | 55 | 114 Ų | 114 | 57% | 0.567 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -87 | 164.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | A19 | A19-G21 PolarHBondContact O-N 3.09Š|
| 22 | K | 78.7 | Confident | 69.5 | Low | 204 Ų | 204 | 115.9 Ų | 115.9 | 89% | 0.887 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 140.3 | 169.8 | -67.9 | 178.1 | -179.9 | 178.1 | 0 | 108.8 | F24 | K22-F24 PolarHBondContact O-N 2.76Š|
| 23 | P | 74.4 | Confident | 71.1 | Confident | 122 Ų | 122 | 115.7 Ų | 115.7 | 79% | 0.792 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 136.2 | 172.7 | 27.1 | -33.9 | 0 | 0 | 0 | 108.1 | S25 | P23-S25 PolarHBondContact O-N 2.71Š|
| 24 | F | 80.5 | Confident | 72.8 | Confident | 110 Ų | 110 | 113.8 Ų | 113.8 | 48% | 0.482 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 130.6 | 175 | -177.1 | -119.2 | 0 | 0 | 0 | 109.8 | K22 E28 A29 L32 | K22-F24 PolarHBondContact O-N 2.76Å; F24-E28 HydrophobicContact CD2-CB 3.61Å; F24-E28 HydrophobicContact CE2-CB 3.21Å; F24-E28 HydrophobicContact CE2-CG 4.37Å; F24-E28 HydrophobicContact CG-CB 4.4Å; F24-E28 HydrophobicContact CZ-CB 3.73Å; F24-E28 WeakPolarHBondContact CZ-O 3.41Å; F24-A29 HydrophobicContact CD1-CB 3.8Å; F24-A29 HydrophobicContact CE1-CB 3.19Å; F24-A29 HydrophobicContact CZ-CB 3.97Å; F24-L32 HydrophobicContact CE1-CD1 4.25Å; F24-L32 HydrophobicContact CE2-CD1 3.58Å; F24-L32 HydrophobicContact CE2-CG 4.08Å; F24-L32 HydrophobicContact CZ-CB 4.18Å; F24-L32 HydrophobicContact CZ-CD1 3.26Å; F24-L32 HydrophobicContact CZ-CG 3.68Å |
| 25 | S | 87.1 | Confident | 74.5 | Confident | 50 Ų | 50 | 114.7 Ų | 114.7 | 35% | 0.35 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -78.2 | 156 | -179.4 | 69.4 | 0 | 0 | 0 | 0 | 111.7 | P23 T27 E28 A29 | P23-S25 PolarHBondContact O-N 2.71Å; S25-T27 VanDerWaalsContact C-N 3.26Å; S25-T27 PolarHBondContact O-N 3.19Å; S25-E28 WeakPolarHBondContact CB-OE2 3.13Å; S25-E28 PolarHBondContact N-OE2 2.71Å; S25-E28 PolarHBondContact O-N 3.45Å; S25-E28 WeakPolarHBondContact OG-CB 3.47Å; S25-E28 WeakPolarHBondContact OG-CG 3.42Å; S25-E28 PolarHBondContact OG-N 3.29Å; S25-E28 PolarHBondContact OG-OE2 2.69Å; S25-A29 PolarHBondContact O-N 3.17Å |
| 26 | F | 88.1 | Confident | 75.8 | Confident | 164 Ų | 164 | 112.7 Ų | 112.7 | 72% | 0.719 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -56.7 | -41.7 | 176.3 | 178.8 | -102.1 | 0 | 0 | 0 | 111.9 | E28 A29 I30 | F26-E28 PolarHBondContact O-N 2.85Å; F26-A29 VanDerWaalsContact O-CB 3.3Å; F26-A29 WeakPolarHBondContact O-CB 3.45Å; F26-A29 PolarHBondContact O-N 2.89Å; F26-A29 VanDerWaalsContact O-N 3.13Å; F26-I30 HydrophobicContact CD1-CG1 4.35Å; F26-I30 HydrophobicContact CE1-CD1 4.32Å; F26-I30 HydrophobicContact CE1-CG1 3.93Å; F26-I30 HydrophobicContact CE2-CD1 4.11Å; F26-I30 HydrophobicContact CE2-CG1 4.42Å; F26-I30 HydrophobicContact CZ-CD1 3.84Å; F26-I30 HydrophobicContact CZ-CG1 3.97Å; F26-I30 WeakPolarHBondContact O-CG1 3.38Å; F26-I30 PolarHBondContact O-N 2.85Å; F26-I30 VanDerWaalsContact O-N 3.11Å |
| 27 | T | 88.7 | Confident | 77 | Confident | 106 Ų | 106 | 112.9 Ų | 112.9 | 65% | 0.65 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.9 | -44.1 | 177.9 | -54.1 | 0 | 0 | 0 | 0 | 112 | S25 A29 I30 Q31 | S25-T27 VanDerWaalsContact C-N 3.26Å; S25-T27 PolarHBondContact O-N 3.19Å; T27-A29 PolarHBondContact O-N 2.83Å; T27-I30 PolarHBondContact O-N 3.34Å; T27-Q31 PolarHBondContact O-N 3.41Å; T27-Q31 VanDerWaalsContact O-N 3.12Å |
| 28 | E | 87.2 | Confident | 77.3 | Confident | 92 Ų | 92 | 110.2 Ų | 110.2 | 43% | 0.43 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64 | -33.7 | 176.3 | -66.6 | 162.9 | 144.6 | 0 | 0 | 110.9 | F24 S25 F26 Q31 L32 | F24-E28 HydrophobicContact CD2-CB 3.61Å; F24-E28 HydrophobicContact CE2-CB 3.21Å; F24-E28 HydrophobicContact CE2-CG 4.37Å; F24-E28 HydrophobicContact CG-CB 4.4Å; F24-E28 HydrophobicContact CZ-CB 3.73Å; F24-E28 WeakPolarHBondContact CZ-O 3.41Å; S25-E28 WeakPolarHBondContact CB-OE2 3.13Å; S25-E28 PolarHBondContact N-OE2 2.71Å; S25-E28 PolarHBondContact O-N 3.45Å; S25-E28 WeakPolarHBondContact OG-CB 3.47Å; S25-E28 WeakPolarHBondContact OG-CG 3.42Å; S25-E28 PolarHBondContact OG-N 3.29Å; S25-E28 PolarHBondContact OG-OE2 2.69Å; F26-E28 PolarHBondContact O-N 2.85Å; E28-Q31 PolarHBondContact O-N 2.96Å; E28-L32 PolarHBondContact O-N 3.44Å |
| 29 | A | 86.2 | Confident | 77.5 | Confident | 35 Ų | 35 | 103.5 Ų | 103.5 | 29% | 0.289 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.5 | -44.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F24 S25 F26 T27 Q31 L32 H33 | F24-A29 HydrophobicContact CD1-CB 3.8Å; F24-A29 HydrophobicContact CE1-CB 3.19Å; F24-A29 HydrophobicContact CZ-CB 3.97Å; S25-A29 PolarHBondContact O-N 3.17Å; F26-A29 VanDerWaalsContact O-CB 3.3Å; F26-A29 WeakPolarHBondContact O-CB 3.45Å; F26-A29 PolarHBondContact O-N 2.89Å; F26-A29 VanDerWaalsContact O-N 3.13Å; T27-A29 PolarHBondContact O-N 2.83Å; A29-Q31 VanDerWaalsContact C-N 3.35Å; A29-L32 PolarHBondContact O-N 3.28Å; A29-H33 WeakPolarHBondContact O-CB 3.15Å; A29-H33 PolarHBondContact O-N 3.18Å |
| 30 | I | 86.4 | Confident | 77.3 | Confident | 71 Ų | 71 | 102.6 Ų | 102.6 | 36% | 0.364 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.5 | -44.9 | 175.5 | -59 | -53.3 | 0 | 0 | 0 | 110.1 | F26 T27 L32 H33 E34 | F26-I30 HydrophobicContact CD1-CG1 4.35Å; F26-I30 HydrophobicContact CE1-CD1 4.32Å; F26-I30 HydrophobicContact CE1-CG1 3.93Å; F26-I30 HydrophobicContact CE2-CD1 4.11Å; F26-I30 HydrophobicContact CE2-CG1 4.42Å; F26-I30 HydrophobicContact CZ-CD1 3.84Å; F26-I30 HydrophobicContact CZ-CG1 3.97Å; F26-I30 WeakPolarHBondContact O-CG1 3.38Å; F26-I30 PolarHBondContact O-N 2.85Å; F26-I30 VanDerWaalsContact O-N 3.11Å; T27-I30 PolarHBondContact O-N 3.34Å; I30-L32 PolarHBondContact O-N 3.07Å; I30-H33 WeakPolarHBondContact O-CB 3.3Å; I30-H33 PolarHBondContact O-N 3.45Å; I30-H33 VanDerWaalsContact O-N 3.11Å; I30-E34 HydrophobicContact CG2-CG 4.45Å; I30-E34 WeakPolarHBondContact O-CG 3.12Å; I30-E34 PolarHBondContact O-N 2.91Å |
| 31 | Q | 86.5 | Confident | 77.3 | Confident | 125 Ų | 125 | 95.1 Ų | 95.1 | 58% | 0.584 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62 | -41 | 179.7 | -170.7 | 175.2 | 12 | 0 | 0 | 112.9 | T27 E28 A29 S35 | T27-Q31 PolarHBondContact O-N 3.41Å; T27-Q31 VanDerWaalsContact O-N 3.12Å; E28-Q31 PolarHBondContact O-N 2.96Å; A29-Q31 VanDerWaalsContact C-N 3.35Å; Q31-S35 WeakPolarHBondContact O-CB 3.46Å; Q31-S35 PolarHBondContact O-N 3.4Å; Q31-S35 VanDerWaalsContact O-N 3.07Å; Q31-S35 PolarHBondContact O-OG 3.28Å |
| 32 | L | 84.6 | Confident | 76.7 | Confident | 93 Ų | 93 | 102.3 Ų | 102.3 | 49% | 0.487 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.9 | -40.6 | 173.2 | -72.9 | -169.9 | 0 | 0 | 0 | 111.7 | F24 E28 A29 I30 S35 L36 | F24-L32 HydrophobicContact CE1-CD1 4.25Å; F24-L32 HydrophobicContact CE2-CD1 3.58Å; F24-L32 HydrophobicContact CE2-CG 4.08Å; F24-L32 HydrophobicContact CZ-CB 4.18Å; F24-L32 HydrophobicContact CZ-CD1 3.26Å; F24-L32 HydrophobicContact CZ-CG 3.68Å; E28-L32 PolarHBondContact O-N 3.44Å; A29-L32 PolarHBondContact O-N 3.28Å; I30-L32 PolarHBondContact O-N 3.07Å; L32-S35 PolarHBondContact O-N 2.75Å; L32-L36 WeakPolarHBondContact O-CB 3.26Å; L32-L36 VanDerWaalsContact O-CG 3.26Å; L32-L36 WeakPolarHBondContact O-CG 3.4Å; L32-L36 PolarHBondContact O-N 2.8Å |
| 33 | H | 82.6 | Confident | 75.8 | Confident | 121 Ų | 121 | 102.5 Ų | 102.5 | 56% | 0.56 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.1 | -48.3 | 177.3 | 177.2 | 71.5 | 0 | 0 | 0 | 111.5 | A29 I30 S35 L36 S37 | A29-H33 WeakPolarHBondContact O-CB 3.15Å; A29-H33 PolarHBondContact O-N 3.18Å; I30-H33 WeakPolarHBondContact O-CB 3.3Å; I30-H33 PolarHBondContact O-N 3.45Å; I30-H33 VanDerWaalsContact O-N 3.11Å; H33-S35 VanDerWaalsContact C-N 3.33Å; H33-S35 PolarHBondContact O-N 2.95Å; H33-L36 PolarHBondContact O-N 3.33Å; H33-S37 WeakPolarHBondContact O-CB 3.37Å; H33-S37 PolarHBondContact O-N 3.12Å |
| 34 | E | 81.7 | Confident | 74.8 | Confident | 133 Ų | 133 | 104.7 Ų | 104.7 | 62% | 0.621 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.4 | -43.7 | 177 | -70.5 | 176.5 | 176.1 | 0 | 0 | 111.8 | I30 L36 | I30-E34 HydrophobicContact CG2-CG 4.45Å; I30-E34 WeakPolarHBondContact O-CG 3.12Å; I30-E34 PolarHBondContact O-N 2.91Å; E34-L36 VanDerWaalsContact C-N 3.32Å; E34-L36 PolarHBondContact O-N 3.11Å |
| 35 | S | 79.3 | Confident | 73.7 | Confident | 79 Ų | 79 | 106.5 Ų | 106.5 | 55% | 0.552 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.5 | -37.9 | 178.6 | -58.7 | 0 | 0 | 0 | 0 | 112.5 | Q31 L32 H33 | Q31-S35 WeakPolarHBondContact O-CB 3.46Å; Q31-S35 PolarHBondContact O-N 3.4Å; Q31-S35 VanDerWaalsContact O-N 3.07Å; Q31-S35 PolarHBondContact O-OG 3.28Å; L32-S35 PolarHBondContact O-N 2.75Å; H33-S35 VanDerWaalsContact C-N 3.33Å; H33-S35 PolarHBondContact O-N 2.95Å |
| 36 | L | 77.6 | Confident | 72.4 | Confident | 117 Ų | 117 | 109.2 Ų | 109.2 | 61% | 0.613 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -85.7 | -34 | -178.4 | -67.4 | 175.2 | 0 | 0 | 0 | 113.3 | L32 H33 E34 G38 A39 A40 | L32-L36 WeakPolarHBondContact O-CB 3.26Å; L32-L36 VanDerWaalsContact O-CG 3.26Å; L32-L36 WeakPolarHBondContact O-CG 3.4Å; L32-L36 PolarHBondContact O-N 2.8Å; H33-L36 PolarHBondContact O-N 3.33Å; E34-L36 VanDerWaalsContact C-N 3.32Å; E34-L36 PolarHBondContact O-N 3.11Å; L36-G38 PolarHBondContact O-N 3.36Å; L36-A39 PolarHBondContact O-N 3.11Å; L36-A40 PolarHBondContact O-N 3.3Å |
| 37 | S | 70.1 | Confident | 70.9 | Confident | 72 Ų | 72 | 105.5 Ų | 105.5 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.2 | -35 | -178.2 | -170.3 | 0 | 0 | 0 | 0 | 111.5 | H33 | H33-S37 WeakPolarHBondContact O-CB 3.37Å; H33-S37 PolarHBondContact O-N 3.12Å |
| 38 | G | 61.4 | Low | 69.3 | Low | 35 Ų | 35 | 108.6 Ų | 108.6 | 36% | 0.361 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -80.7 | -11.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116 | L36 R42 | L36-G38 PolarHBondContact O-N 3.36Å; G38-R42 PolarHBondContact O-NE 3.13Å |
| 39 | A | 58.1 | Low | 68.1 | Low | 53 Ų | 53 | 109.2 Ų | 109.2 | 44% | 0.438 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -92.6 | -33.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | L36 R42 | L36-A39 PolarHBondContact O-N 3.11Å; A39-R42 PolarHBondContact O-N 3.37Å |
| 40 | A | 56.6 | Low | 66.9 | Low | 72 Ų | 72 | 116 Ų | 116 | 60% | 0.595 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.4 | -33.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L36 R42 R43 | L36-A40 PolarHBondContact O-N 3.3Å; A40-R42 PolarHBondContact O-N 3.03Å; A40-R43 PolarHBondContact O-N 2.96Å |
| 41 | A | 57.1 | Low | 65.6 | Low | 88 Ų | 88 | 117.1 Ų | 117.1 | 73% | 0.727 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -14.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 42 | R | 58.7 | Low | 64.3 | Low | 206 Ų | 206 | 118.7 Ų | 118.7 | 78% | 0.777 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 4.3 | -179.3 | -73.6 | -174.2 | -94 | -173.8 | -6.2 | 114.1 | G38 A39 A40 H44 | G38-R42 PolarHBondContact O-NE 3.13Å; A39-R42 PolarHBondContact O-N 3.37Å; A40-R42 PolarHBondContact O-N 3.03Å; R42-H44 PolarHBondContact O-N 3.21Å |
| 43 | R | 58.2 | Low | 63.1 | Low | 209 Ų | 209 | 121.4 Ų | 121.4 | 79% | 0.789 | 65% | 0.654 | S | S | * | * | | | trans | -71.8 | 82.5 | 159.5 | -73.5 | -178.6 | 63.5 | -178.5 | -2.5 | 107.2 | A40 D45 | A40-R43 PolarHBondContact O-N 2.96Å; R43-D45 PolarHBondContact O-N 3.49Å; R43-D45 VanDerWaalsContact O-N 3.17Å |
| 44 | H | 53.5 | Low | 62 | Low | 167 Ų | 167 | 120.9 Ų | 120.9 | 77% | 0.773 | 66% | 0.659 | S | S | * | * | | | trans | -44.8 | 121 | 154.2 | -127.4 | -98.7 | 0 | 0 | 0 | 106 | R42 S46 | R42-H44 PolarHBondContact O-N 3.21Å; H44-S46 PolarHBondContact O-N 2.96Å |
| 45 | D | 58.8 | Low | 60.9 | Low | 148 Ų | 148 | 122.7 Ų | 122.7 | 79% | 0.791 | 67% | 0.667 | S | S | * | * | | | trans | -62.4 | 76.1 | 160.2 | -84.4 | -37 | 0 | 0 | 0 | 106.8 | R43 S47 | R43-D45 PolarHBondContact O-N 3.49Å; R43-D45 VanDerWaalsContact O-N 3.17Å; D45-S47 PolarHBondContact O-N 3.26Å; D45-S47 VanDerWaalsContact O-N 3.09Å |
| 46 | S | 58.5 | Low | 60 | Low | 107 Ų | 107 | 126.6 Ų | 126.6 | 75% | 0.748 | 67% | 0.674 | S | S | * | * | | | trans | -81.7 | 53.8 | 164 | 71.8 | 0 | 0 | 0 | 0 | 108 | H44 E48 | H44-S46 PolarHBondContact O-N 2.96Å; S46-E48 VanDerWaalsContact C-N 3.33Å |
| 47 | S | 58.2 | Low | 59.1 | Low | 86 Ų | 86 | 126.9 Ų | 126.9 | 60% | 0.601 | 68% | 0.676 | S | S | * | * | | | trans | -103.8 | 71.8 | 144.4 | 71.6 | 0 | 0 | 0 | 0 | 105.4 | D45 V49 | D45-S47 PolarHBondContact O-N 3.26Å; D45-S47 VanDerWaalsContact O-N 3.09Å; S47-V49 PolarHBondContact O-N 3.49Å |
| 48 | E | 53.9 | Low | 58.6 | Low | 171 Ų | 171 | 131.4 Ų | 131.4 | 80% | 0.799 | 69% | 0.687 | S | S | * | * | | | trans | -59.2 | 102.1 | 153.7 | -173.1 | 165.3 | -173.8 | 0 | 0 | 104.6 | S46 Q50 | S46-E48 VanDerWaalsContact C-N 3.33Å; E48-Q50 PolarHBondContact O-N 2.79Å |
| 49 | V | 61.3 | Low | 58.5 | Low | 105 Ų | 105 | 135.2 Ų | 135.2 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | | | trans | -59.1 | 97.1 | 169 | 179.1 | 0 | 0 | 0 | 0 | 104 | S47 D51 | S47-V49 PolarHBondContact O-N 3.49Å; V49-D51 HydrophobicContact CG1-CB 4.2Å; V49-D51 PolarHBondContact O-N 2.77Å |
| 50 | Q | 60.9 | Low | 58.4 | Low | 177 Ų | 177 | 137.1 Ų | 137.1 | 83% | 0.827 | 72% | 0.718 | S | S | * | * | | | trans | -67.1 | 76.9 | 157.8 | -73.9 | -156.2 | -24.9 | 0 | 0 | 105.9 | E48 D52 | E48-Q50 PolarHBondContact O-N 2.79Å; Q50-D52 PolarHBondContact O-N 3.47Å |
| 51 | D | 59.5 | Low | 58.4 | Low | 96 Ų | 96 | 142.2 Ų | 142.2 | 51% | 0.513 | 74% | 0.735 | S | S | . | * | | | trans | -61.3 | 89 | 153.8 | -101 | -8.4 | 0 | 0 | 0 | 103.8 | V49 K53 | V49-D51 HydrophobicContact CG1-CB 4.2Å; V49-D51 PolarHBondContact O-N 2.77Å; D51-K53 HydrophobicContact CB-CD 4.15Å; D51-K53 HydrophobicContact CB-CG 4.06Å; D51-K53 PolarHBondContact O-N 3.33Å; D51-K53 VanDerWaalsContact OD2-CE 3.25Å; D51-K53 WeakPolarHBondContact OD2-CE 3.29Å; D51-K53 IonicContact OD2-NZ 2.69Å; D51-K53 PolarHBondContact OD2-NZ 2.95Å |
| 52 | D | 59.1 | Low | 58.3 | Low | 157 Ų | 157 | 141.5 Ų | 141.5 | 84% | 0.84 | 74% | 0.737 | S | S | * | * | | | trans | -64.5 | 68.2 | 160.6 | -172.9 | 15.7 | 0 | 0 | 0 | 107.2 | Q50 T54 | Q50-D52 PolarHBondContact O-N 3.47Å; D52-T54 VanDerWaalsContact C-N 3.26Å; D52-T54 PolarHBondContact O-N 2.7Å |
| 53 | K | 60.7 | Low | 58.7 | Low | 151 Ų | 151 | 141 Ų | 141 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | | | trans | -80.9 | 88.8 | 173.2 | -85.8 | 177 | 176.7 | 147.9 | 0 | 106.2 | D51 | D51-K53 HydrophobicContact CB-CD 4.15Å; D51-K53 HydrophobicContact CB-CG 4.06Å; D51-K53 PolarHBondContact O-N 3.33Å; D51-K53 VanDerWaalsContact OD2-CE 3.25Å; D51-K53 WeakPolarHBondContact OD2-CE 3.29Å; D51-K53 IonicContact OD2-NZ 2.69Å; D51-K53 PolarHBondContact OD2-NZ 2.95Å |
| 54 | T | 58.9 | Low | 58.6 | Low | 110 Ų | 110 | 137.4 Ų | 137.4 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | | | trans | 55.5 | 97.3 | 135.1 | 14 | 0 | 0 | 0 | 0 | 114.4 | D52 K56 | D52-T54 VanDerWaalsContact C-N 3.26Å; D52-T54 PolarHBondContact O-N 2.7Å; T54-K56 PolarHBondContact O-N 2.78Å |
| 55 | Q | 59.4 | Low | 59.3 | Low | 170 Ų | 170 | 134.5 Ų | 134.5 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | | | trans | -62.7 | 78.6 | 148.6 | -167.6 | -178 | -19.4 | 0 | 0 | 108.5 | D57 | Q55-D57 PolarHBondContact NE2-OD2 2.84Å; Q55-D57 PolarHBondContact O-N 2.92Å |
| 56 | K | 59.8 | Low | 59.3 | Low | 161 Ų | 161 | 136.5 Ų | 136.5 | 70% | 0.7 | 75% | 0.747 | S | S | * | * | | | trans | -92.4 | 85.6 | 162.8 | -161 | 177.4 | -169 | 175.1 | 0 | 105.8 | T54 K58 | T54-K56 PolarHBondContact O-N 2.78Å; K56-K58 HydrophobicContact CG-CG 4.49Å; K56-K58 PolarHBondContact O-N 3.24Å |
| 57 | D | 58.6 | Low | 59.6 | Low | 123 Ų | 123 | 138.9 Ų | 138.9 | 66% | 0.658 | 75% | 0.75 | S | S | * | * | | | trans | -54.7 | 91.6 | 163.2 | -76.3 | -45.2 | 0 | 0 | 0 | 107.6 | Q55 S59 | Q55-D57 PolarHBondContact NE2-OD2 2.84Å; Q55-D57 PolarHBondContact O-N 2.92Å; D57-S59 PolarHBondContact O-N 2.7Å |
| 58 | K | 59.5 | Low | 59.3 | Low | 167 Ų | 167 | 140.3 Ų | 140.3 | 73% | 0.726 | 76% | 0.76 | S | S | * | * | | | trans | -76.1 | 87.3 | 167.4 | -79.4 | -169.1 | -179.8 | 176.1 | 0 | 106.5 | K56 S60 | K56-K58 HydrophobicContact CG-CG 4.49Å; K56-K58 PolarHBondContact O-N 3.24Å; K58-S60 PolarHBondContact O-N 3.48Å |
| 59 | S | 59.1 | Low | 59.1 | Low | 116 Ų | 116 | 142 Ų | 142 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | | | trans | -62.1 | 81.3 | 155.4 | 54 | 0 | 0 | 0 | 0 | 109.4 | D57 | D57-S59 PolarHBondContact O-N 2.7Š|
| 60 | S | 56.3 | Low | 59 | Low | 92 Ų | 92 | 143.9 Ų | 143.9 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | | | trans | -173.2 | 91.1 | 157 | 51.4 | 0 | 0 | 0 | 0 | 112 | K58 | K58-S60 PolarHBondContact O-N 3.48Š|
| 61 | N | 55.6 | Low | 58.9 | Low | 179 Ų | 179 | 142.2 Ų | 142.2 | 96% | 0.957 | 79% | 0.787 | S | S | * | * | | | trans | -155.1 | 63.2 | 147.7 | -125.3 | 16.7 | 0 | 0 | 0 | 110 | | |
| 62 | G | 56.8 | Low | 58.9 | Low | 74 Ų | 74 | 144.7 Ų | 144.7 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | | | trans | -98.1 | 91.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 63 | K | 65.2 | Low | 58.9 | Low | 195 Ų | 195 | 144 Ų | 144 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | | | trans | 54.8 | 135.6 | 156.6 | -61.7 | -176.8 | 179.3 | 179.4 | 0 | 120 | | |
| 64 | P | 56.1 | Low | 58.8 | Low | 133 Ų | 133 | 143.6 Ų | 143.6 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | | | trans | -74.8 | 131.3 | 172.4 | 33.5 | -30.4 | 0 | 0 | 0 | 108.9 | | |
| 65 | S | 68.7 | Low | 58.8 | Low | 106 Ų | 106 | 145.8 Ų | 145.8 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | | | trans | -110.9 | 100.9 | 172.3 | 169.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 66 | E | 59.7 | Low | 58.7 | Low | 191 Ų | 191 | 144.1 Ų | 144.1 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | | | trans | -51.7 | 128 | 164.1 | -130.6 | 169 | 177.9 | 0 | 0 | 109.6 | | |
| 67 | I | 64.7 | Low | 58.7 | Low | 157 Ų | 157 | 142.8 Ų | 142.8 | 81% | 0.805 | 83% | 0.829 | S | S | * | * | | | trans | -115 | 117.7 | 165.9 | -62 | 168.9 | 0 | 0 | 0 | 106.6 | | |
| 68 | S | 51.8 | Low | 58.7 | Low | 115 Ų | 115 | 144.4 Ų | 144.4 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | | | trans | -111.4 | 116.3 | 176.7 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 69 | V | 50.5 | Low | 58.6 | Low | 208 Ų | 208 | 142.4 Ų | 142.4 | 100% | 1.261 | 85% | 0.854 | S | S | * | * | | | trans | -150.8 | 0 | 155.6 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | | |