| 1 | G | 35.4 | Very low | 39.9 | Very low | 135 Ų | 135 | 146.3 Ų | 146.3 | 100% | 1.392 | 90% | 0.897 | S | S | * | * | | | | 0 | 128.3 | 0 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 2 | A | 39.2 | Very low | 39.9 | Very low | 95 Ų | 95 | 142.8 Ų | 142.8 | 79% | 0.785 | 89% | 0.894 | S | S | * | * | | | trans | -59.3 | 151.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 3 | R | 36.7 | Very low | 40.1 | Very low | 248 Ų | 248 | 138.6 Ų | 138.6 | 94% | 0.936 | 90% | 0.896 | S | S | * | * | | | trans | -170.1 | 113.6 | 130.5 | -99 | 156.4 | -163.8 | -160.4 | 5.3 | 111.2 | | |
| 4 | T | 38.3 | Very low | 40 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 78% | 0.779 | 89% | 0.89 | S | S | * | * | | | trans | -62.6 | 142.5 | 159.9 | 47.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 5 | L | 40.7 | Very low | 40.9 | Very low | 179 Ų | 179 | 137 Ų | 137 | 94% | 0.937 | 89% | 0.893 | S | S | * | * | | | trans | -128.5 | 109.2 | 151.7 | -108.3 | 157.3 | 0 | 0 | 0 | 107.7 | | |
| 6 | R | 44.2 | Very low | 41 | Very low | 235 Ų | 235 | 133.1 Ų | 133.1 | 89% | 0.887 | 89% | 0.885 | S | S | * | * | | | trans | -67.9 | 141.9 | 167.3 | -69.6 | 178.9 | 168.9 | -150.3 | -2.4 | 108.1 | | |
| 7 | E | 44.5 | Very low | 41 | Very low | 196 Ų | 196 | 128.6 Ų | 128.6 | 92% | 0.916 | 87% | 0.868 | S | S | * | * | | | trans | -128 | 149 | 150 | -147.8 | 169.9 | -168.7 | 0 | 0 | 109.6 | | |
| 8 | A | 39.8 | Very low | 41.3 | Very low | 97 Ų | 97 | 125.5 Ų | 125.5 | 80% | 0.802 | 85% | 0.848 | S | S | * | * | | | trans | -75.8 | 146.6 | -147.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 9 | G | 39.5 | Very low | 41.8 | Very low | 70 Ų | 70 | 127.5 Ų | 127.5 | 72% | 0.722 | 85% | 0.848 | S | S | * | * | | | trans | -87.9 | 149.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 10 | T | 40.6 | Very low | 42.3 | Very low | 150 Ų | 150 | 127.8 Ų | 127.8 | 92% | 0.92 | 84% | 0.841 | S | S | * | * | | | trans | -165.8 | 115.2 | 147.5 | -15.8 | 0 | 0 | 0 | 0 | 103.7 | | |
| 11 | G | 40.6 | Very low | 42.7 | Very low | 77 Ų | 77 | 129.3 Ų | 129.3 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | | | cis | 125 | 86.5 | 26.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 12 | A | 39.1 | Very low | 43.6 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | | | trans | 179.1 | 110.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 13 | G | 42.6 | Very low | 44.2 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 92% | 0.918 | 81% | 0.808 | S | S | * | * | | | | 112.9 | 100.4 | 53.6 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 14 | G | 39.5 | Very low | 45.3 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | | | trans | 178.1 | 60.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | G16 | G14-G16 PolarHBondContact O-N 3.06Š|
| 15 | D | 52.2 | Low | 45.9 | Very low | 174 Ų | 174 | 132 Ų | 132 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | | | trans | -52.7 | 106.5 | 166.4 | -98.8 | -31.7 | 0 | 0 | 0 | 109.8 | | |
| 16 | G | 43.3 | Very low | 46.5 | Very low | 75 Ų | 75 | 129.1 Ų | 129.1 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -124 | 47 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | G14 S18 | G14-G16 PolarHBondContact O-N 3.06Å; G16-S18 PolarHBondContact O-N 3.2Å |
| 17 | G | 41.3 | Very low | 46.9 | Very low | 57 Ų | 57 | 120.4 Ų | 120.4 | 59% | 0.588 | 77% | 0.771 | S | S | * | * | | | trans | -51.3 | 122.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | L19 | G17-L19 PolarHBondContact O-N 2.95Å; G17-L19 VanDerWaalsContact C-N 3.32Å |
| 18 | S | 46.8 | Very low | 47.3 | Very low | 72 Ų | 72 | 117.6 Ų | 117.6 | 50% | 0.503 | 77% | 0.767 | S | S | . | * | | | trans | -60.9 | 91.1 | 175.4 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | G16 L20 Q21 | G16-S18 PolarHBondContact O-N 3.2Å; S18-L20 PolarHBondContact O-N 2.84Å; S18-Q21 PolarHBondContact O-N 3.42Å |
| 19 | L | 49.8 | Very low | 48 | Very low | 164 Ų | 164 | 117.9 Ų | 117.9 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 15.9 | 179.1 | -79.8 | 168.9 | 0 | 0 | 0 | 114.1 | G17 | G17-L19 PolarHBondContact O-N 2.95Å; G17-L19 VanDerWaalsContact C-N 3.32Å |
| 20 | L | 52.1 | Low | 48.7 | Very low | 133 Ų | 133 | 118.7 Ų | 118.7 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | 5.3 | 178.4 | -63.1 | 178.7 | 0 | 0 | 0 | 113.4 | S18 D22 | S18-L20 PolarHBondContact O-N 2.84Å; L20-D22 VanDerWaalsContact C-N 3.3Å; L20-D22 PolarHBondContact O-N 3.43Å |
| 21 | Q | 51.3 | Low | 49.2 | Very low | 160 Ų | 160 | 119.1 Ų | 119.1 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -12 | -178.2 | -69.1 | -175.6 | -11.1 | 0 | 0 | 114.3 | S18 | S18-Q21 PolarHBondContact O-N 3.42Š|
| 22 | D | 52.9 | Low | 49.6 | Very low | 163 Ų | 163 | 125.6 Ų | 125.6 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.9 | 14.7 | -173.8 | -100.7 | -6.3 | 0 | 0 | 0 | 115.8 | L20 R24 | L20-D22 VanDerWaalsContact C-N 3.3Å; L20-D22 PolarHBondContact O-N 3.43Å; D22-R24 PolarHBondContact O-N 3.32Å |
| 23 | Q | 52.5 | Low | 50.1 | Low | 152 Ų | 152 | 125.2 Ų | 125.2 | 71% | 0.71 | 74% | 0.739 | S | S | * | * | | | trans | -95.3 | 74.3 | 172.6 | -64.1 | -170.2 | 54.3 | 0 | 0 | 110.6 | L25 | Q23-L25 PolarHBondContact O-N 3.35Š|
| 24 | R | 58.9 | Low | 50.5 | Low | 204 Ų | 204 | 129.8 Ų | 129.8 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | | | trans | -58.3 | 112.4 | 164.9 | -178.2 | -177 | 179 | -110.1 | 0.7 | 107.7 | D22 V26 | D22-R24 PolarHBondContact O-N 3.32Å; R24-V26 HydrophobicContact CB-CG2 4.47Å; R24-V26 HydrophobicContact CG-CG2 4.12Å; R24-V26 WeakPolarHBondContact O-CG2 3.21Å; R24-V26 PolarHBondContact O-N 2.89Å |
| 25 | L | 50.9 | Low | 51.1 | Low | 143 Ų | 143 | 132.2 Ų | 132.2 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | | | trans | -61.7 | 101.8 | 170.7 | -120.6 | 107.3 | 0 | 0 | 0 | 108.2 | Q23 | Q23-L25 PolarHBondContact O-N 3.35Š|
| 26 | V | 53.4 | Low | 50.5 | Low | 117 Ų | 117 | 129.3 Ų | 129.3 | 71% | 0.709 | 72% | 0.72 | S | S | * | * | | | trans | -97.4 | 100.6 | 173.1 | -165 | 0 | 0 | 0 | 0 | 107.4 | R24 | R24-V26 HydrophobicContact CB-CG2 4.47Å; R24-V26 HydrophobicContact CG-CG2 4.12Å; R24-V26 WeakPolarHBondContact O-CG2 3.21Å; R24-V26 PolarHBondContact O-N 2.89Å |
| 27 | G | 52.4 | Low | 50.9 | Low | 53 Ų | 53 | 133.4 Ų | 133.4 | 55% | 0.546 | 73% | 0.73 | S | S | . | * | S | Bend | trans | 132.8 | 140.3 | 180 | 0 | 0 | 0 | 0 | 0 | 111.5 | P29 | G27-P29 WeakPolarHBondContact O-CD 3.21Š|
| 28 | V | 54.8 | Low | 51.2 | Low | 136 Ų | 136 | 134.2 Ų | 134.2 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | | | trans | -67.6 | 123.1 | 173.1 | -177.4 | 0 | 0 | 0 | 0 | 107.4 | S30 | V28-S30 PolarHBondContact O-N 3.24Š|
| 29 | P | 52.8 | Low | 50.8 | Low | 104 Ų | 104 | 135 Ų | 135 | 68% | 0.675 | 74% | 0.743 | S | S | * | * | | | trans | -63.5 | 108.6 | 173.5 | 24.7 | -30.3 | 0 | 0 | 0 | 108.1 | G27 L31 | G27-P29 WeakPolarHBondContact O-CD 3.21Å; P29-L31 PolarHBondContact O-N 3.5Å |
| 30 | S | 55.8 | Low | 50.6 | Low | 87 Ų | 87 | 136.2 Ų | 136.2 | 61% | 0.608 | 74% | 0.744 | S | S | * | * | | | trans | -83.7 | 103 | 175.4 | 57.6 | 0 | 0 | 0 | 0 | 109 | V28 R32 | V28-S30 PolarHBondContact O-N 3.24Å; S30-R32 PolarHBondContact O-N 3.11Å |
| 31 | L | 50.8 | Low | 50.2 | Low | 158 Ų | 158 | 133 Ų | 133 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | | | trans | -71.5 | 109.4 | 170.2 | -174.9 | 71.1 | 0 | 0 | 0 | 108.3 | P29 V33 | P29-L31 PolarHBondContact O-N 3.5Å; L31-V33 HydrophobicContact CD2-CG2 3.87Å; L31-V33 HydrophobicContact CG-CG2 3.82Å |
| 32 | R | 47.6 | Very low | 49.8 | Very low | 213 Ų | 213 | 132.5 Ų | 132.5 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | | | trans | -94.3 | 113.1 | 172.1 | -62.3 | -173 | -153.3 | -145.3 | 5.3 | 108.8 | S30 | S30-R32 PolarHBondContact O-N 3.11Š|
| 33 | V | 50.6 | Low | 49.5 | Very low | 97 Ų | 97 | 130 Ų | 130 | 59% | 0.588 | 73% | 0.73 | S | S | * | * | | | trans | -107.2 | 123.5 | 176.7 | -168.7 | 0 | 0 | 0 | 0 | 108 | L31 L35 | L31-V33 HydrophobicContact CD2-CG2 3.87Å; L31-V33 HydrophobicContact CG-CG2 3.82Å; V33-L35 PolarHBondContact O-N 3.24Å |
| 34 | H | 51 | Low | 49 | Very low | 184 Ų | 184 | 127.1 Ų | 127.1 | 85% | 0.852 | 73% | 0.732 | S | S | * | * | | | trans | -83.9 | 106.6 | 170.2 | -83.5 | -92.2 | 0 | 0 | 0 | 108.8 | | |
| 35 | L | 51.2 | Low | 48.3 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 68% | 0.681 | 74% | 0.736 | S | S | * | * | | | trans | -83.2 | 137.3 | 168.9 | -73.8 | 121.3 | 0 | 0 | 0 | 109.5 | V33 V37 | V33-L35 PolarHBondContact O-N 3.24Å; L35-V37 PolarHBondContact O-N 2.91Å |
| 36 | P | 39.7 | Very low | 48 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | | | trans | -59.4 | 133.4 | 174.7 | 22.8 | -30.3 | 0 | 0 | 0 | 110.2 | G38 | P36-G38 PolarHBondContact O-N 2.91Š|
| 37 | V | 51.3 | Low | 47.6 | Very low | 161 Ų | 161 | 132.4 Ų | 132.4 | 98% | 0.976 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 102.2 | 178.5 | 172.9 | 0 | 0 | 0 | 0 | 108.2 | L35 | L35-V37 PolarHBondContact O-N 2.91Š|
| 38 | G | 47.7 | Very low | 47.4 | Very low | 74 Ų | 74 | 138 Ų | 138 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 165.8 | -6.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 117 | P36 H40 | P36-G38 PolarHBondContact O-N 2.91Å; G38-H40 PolarHBondContact O-N 2.95Å |
| 39 | S | 40.2 | Very low | 47.2 | Very low | 88 Ų | 88 | 136.8 Ų | 136.8 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | | | trans | -91.9 | 98.1 | 173.4 | 75.5 | 0 | 0 | 0 | 0 | 111 | A41 | S39-A41 PolarHBondContact O-N 2.91Š|
| 40 | H | 45.3 | Very low | 46.9 | Very low | 189 Ų | 189 | 135.4 Ų | 135.4 | 88% | 0.875 | 74% | 0.74 | S | S | * | * | | | trans | -74.5 | 70.8 | 164.1 | -139.5 | -53.5 | 0 | 0 | 0 | 108.4 | G38 | G38-H40 PolarHBondContact O-N 2.95Š|
| 41 | A | 42.5 | Very low | 46.8 | Very low | 67 Ų | 67 | 140.6 Ų | 140.6 | 55% | 0.554 | 76% | 0.755 | S | S | * | * | | | trans | -110.4 | 100.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | S39 V43 | S39-A41 PolarHBondContact O-N 2.91Å; A41-V43 VanDerWaalsContact C-N 3.25Å; A41-V43 HydrophobicContact CB-CG2 4.5Å; A41-V43 WeakPolarHBondContact O-CG2 3.32Å; A41-V43 PolarHBondContact O-N 3.06Å |
| 42 | D | 44.6 | Very low | 46.9 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | | | trans | -59.8 | 94.1 | 165.7 | -108.9 | -49.3 | 0 | 0 | 0 | 107.4 | A44 | D42-A44 PolarHBondContact O-N 3.28Š|
| 43 | V | 45.2 | Very low | 47.1 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 67% | 0.673 | 75% | 0.746 | S | S | * | * | | | trans | -79.4 | 82.3 | 175.4 | -169.7 | 0 | 0 | 0 | 0 | 107.1 | A41 R45 | A41-V43 VanDerWaalsContact C-N 3.25Å; A41-V43 HydrophobicContact CB-CG2 4.5Å; A41-V43 WeakPolarHBondContact O-CG2 3.32Å; A41-V43 PolarHBondContact O-N 3.06Å; V43-R45 HydrophobicContact CG1-CG 3.74Å; V43-R45 PolarHBondContact O-N 3.3Å |
| 44 | A | 42 | Very low | 47.1 | Very low | 90 Ų | 90 | 136.9 Ų | 136.9 | 74% | 0.744 | 75% | 0.75 | S | S | * | * | | | trans | -66.1 | 85.8 | 164 | 0 | 0 | 0 | 0 | 0 | 108.7 | D42 R46 | D42-A44 PolarHBondContact O-N 3.28Å; A44-R46 VanDerWaalsContact C-N 3.31Å; A44-R46 PolarHBondContact O-N 3.28Å |
| 45 | R | 44.5 | Very low | 47.3 | Very low | 229 Ų | 229 | 134.1 Ų | 134.1 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | | | trans | -70.2 | 87.7 | 171.2 | -72.8 | -172.2 | 118.8 | -162.5 | 2 | 109.2 | V43 | V43-R45 HydrophobicContact CG1-CG 3.74Å; V43-R45 PolarHBondContact O-N 3.3Å |
| 46 | R | 45.7 | Very low | 47.7 | Very low | 243 Ų | 243 | 134.2 Ų | 134.2 | 92% | 0.917 | 75% | 0.748 | S | S | * | * | | | trans | -89.1 | 97.3 | 157.6 | -76.3 | -176.8 | 162.4 | -175.7 | -4.6 | 107.8 | A44 H48 | A44-R46 VanDerWaalsContact C-N 3.31Å; A44-R46 PolarHBondContact O-N 3.28Å; R46-H48 PolarHBondContact O-N 2.9Å |
| 47 | S | 44.3 | Very low | 48.4 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | | | trans | -81.8 | 103.6 | 172.1 | 57.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 48 | H | 48.2 | Very low | 48.8 | Very low | 170 Ų | 170 | 132.3 Ų | 132.3 | 79% | 0.787 | 73% | 0.732 | S | S | * | * | | | trans | -94 | 110.5 | 148.2 | -174.9 | 56 | 0 | 0 | 0 | 106.1 | R46 P50 | R46-H48 PolarHBondContact O-N 2.9Å; H48-P50 VanDerWaalsContact O-CD 3.31Å; H48-P50 WeakPolarHBondContact O-CD 3.31Å |
| 49 | V | 51.5 | Low | 49.2 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 68% | 0.679 | 74% | 0.738 | S | S | * | * | | | trans | -96 | 107.5 | 174.8 | 178.5 | 0 | 0 | 0 | 0 | 106.4 | | |
| 50 | P | 44.5 | Very low | 49.8 | Very low | 74 Ų | 74 | 140.5 Ų | 140.5 | 48% | 0.481 | 74% | 0.743 | S | S | . | * | | | trans | -74.1 | 130.8 | 163.1 | 28.7 | -27.8 | 0 | 0 | 0 | 108.5 | H48 I52 | H48-P50 VanDerWaalsContact O-CD 3.31Å; H48-P50 WeakPolarHBondContact O-CD 3.31Å; P50-I52 VanDerWaalsContact C-N 3.31Å; P50-I52 PolarHBondContact O-N 3.24Å |
| 51 | E | 54.7 | Low | 50.3 | Low | 197 Ų | 197 | 139.7 Ų | 139.7 | 92% | 0.921 | 74% | 0.739 | S | S | * | * | | | trans | -66.5 | 85.5 | 173.7 | -66.7 | 178.8 | 172.6 | 0 | 0 | 109.8 | | |
| 52 | I | 52.1 | Low | 51 | Low | 111 Ų | 111 | 142 Ų | 142 | 57% | 0.569 | 75% | 0.746 | S | S | * | * | | | trans | -127.5 | 125.1 | 166.5 | -53.6 | -178.2 | 0 | 0 | 0 | 107.6 | P50 E54 | P50-I52 VanDerWaalsContact C-N 3.31Å; P50-I52 PolarHBondContact O-N 3.24Å; I52-E54 HydrophobicContact CG2-CB 4.04Å; I52-E54 HydrophobicContact CG2-CG 3.96Å; I52-E54 PolarHBondContact O-N 3.32Å |
| 53 | P | 51.6 | Low | 51.7 | Low | 133 Ų | 133 | 138.4 Ų | 138.4 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | | | trans | -80.1 | 38.7 | -179.7 | 35.8 | -35.9 | 0 | 0 | 0 | 111.7 | | |
| 54 | E | 51.5 | Low | 52.6 | Low | 146 Ų | 146 | 140.9 Ų | 140.9 | 68% | 0.682 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -106.1 | 128.9 | 173.7 | -72.3 | -175.9 | 169.5 | 0 | 0 | 108.6 | I52 I56 | I52-E54 HydrophobicContact CG2-CB 4.04Å; I52-E54 HydrophobicContact CG2-CG 3.96Å; I52-E54 PolarHBondContact O-N 3.32Å; E54-I56 PolarHBondContact O-N 2.96Å |
| 55 | P | 54.4 | Low | 53.6 | Low | 125 Ų | 125 | 144 Ų | 144 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | | | trans | -63.9 | 105.2 | 174.7 | 24.6 | -30.1 | 0 | 0 | 0 | 108.4 | P57 | P55-P57 VanDerWaalsContact O-N 3.16Å; P55-P57 WeakPolarHBondContact O-CD 3.38Å |
| 56 | I | 61.1 | Low | 54.7 | Low | 133 Ų | 133 | 142.8 Ų | 142.8 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | | | trans | -61.3 | 116.1 | 173.7 | -59.8 | 172.4 | 0 | 0 | 0 | 107.1 | E54 L58 | E54-I56 PolarHBondContact O-N 2.96Å; I56-L58 HydrophobicContact CG2-CD2 4.4Å; I56-L58 PolarHBondContact O-N 3.43Å |
| 57 | P | 53.3 | Low | 55.5 | Low | 115 Ų | 115 | 136.3 Ų | 136.3 | 75% | 0.747 | 73% | 0.733 | S | S | * | * | | | trans | -68 | 101.9 | 177 | 25.8 | -30.3 | 0 | 0 | 0 | 108.6 | P55 L59 | P55-P57 VanDerWaalsContact O-N 3.16Å; P55-P57 WeakPolarHBondContact O-CD 3.38Å; P57-L59 PolarHBondContact O-N 2.93Å |
| 58 | L | 60.2 | Low | 56.4 | Low | 120 Ų | 120 | 137.8 Ų | 137.8 | 63% | 0.628 | 74% | 0.737 | S | S | * | * | | | trans | -76.2 | 105.5 | 171.8 | -65.1 | 176.5 | 0 | 0 | 0 | 108 | I56 F60 | I56-L58 HydrophobicContact CG2-CD2 4.4Å; I56-L58 PolarHBondContact O-N 3.43Å; L58-F60 WeakPolarHBondContact O-CD2 3.46Å; L58-F60 VanDerWaalsContact O-N 3.11Å; L58-F60 PolarHBondContact O-N 3.37Å; L58-F60 HydrophobicContact CG-CZ 4.42Å; L58-F60 HydrophobicContact CG-CE2 4.42Å; L58-F60 HydrophobicContact CD1-CZ 3.77Å; L58-F60 HydrophobicContact CD1-CE2 4.09Å; L58-F60 HydrophobicContact CB-CZ 3.78Å; L58-F60 VanDerWaalsContact CB-CE2 3.44Å; L58-F60 HydrophobicContact CB-CE2 3.44Å; L58-F60 HydrophobicContact CB-CD2 4.07Å |
| 59 | L | 55.1 | Low | 56.9 | Low | 170 Ų | 170 | 134.5 Ų | 134.5 | 89% | 0.89 | 73% | 0.733 | S | S | * | * | | | trans | -74.9 | 96.5 | 171.9 | -66.7 | 173.4 | 0 | 0 | 0 | 108.8 | P57 H61 | P57-L59 PolarHBondContact O-N 2.93Å; L59-H61 PolarHBondContact O-N 3.4Å |
| 60 | F | 54.1 | Low | 57.6 | Low | 164 Ų | 164 | 134.7 Ų | 134.7 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | | | trans | -82.3 | 114.6 | 170.6 | -64.8 | -79.6 | 0 | 0 | 0 | 109.3 | L58 V62 | L58-F60 WeakPolarHBondContact O-CD2 3.46Å; L58-F60 VanDerWaalsContact O-N 3.11Å; L58-F60 PolarHBondContact O-N 3.37Å; L58-F60 HydrophobicContact CG-CZ 4.42Å; L58-F60 HydrophobicContact CG-CE2 4.42Å; L58-F60 HydrophobicContact CD1-CZ 3.77Å; L58-F60 HydrophobicContact CD1-CE2 4.09Å; L58-F60 HydrophobicContact CB-CZ 3.78Å; L58-F60 VanDerWaalsContact CB-CE2 3.44Å; L58-F60 HydrophobicContact CB-CE2 3.44Å; L58-F60 HydrophobicContact CB-CD2 4.07Å; F60-V62 PolarHBondContact O-N 3.39Å |
| 61 | H | 54.6 | Low | 59 | Low | 171 Ų | 171 | 137 Ų | 137 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | | | trans | -73.2 | 108.7 | 165.6 | -176.3 | 68.5 | 0 | 0 | 0 | 108.1 | L59 P63 | L59-H61 PolarHBondContact O-N 3.4Å; H61-P63 WeakPolarHBondContact O-CD 3.47Å |
| 62 | V | 58.3 | Low | 59.7 | Low | 115 Ų | 115 | 135.3 Ų | 135.3 | 70% | 0.697 | 75% | 0.745 | S | S | * | * | | | trans | -88.4 | 105.7 | 171.2 | -177.3 | 0 | 0 | 0 | 0 | 106.9 | F60 | F60-V62 PolarHBondContact O-N 3.39Š|
| 63 | P | 59 | Low | 60.5 | Low | 75 Ų | 75 | 136.8 Ų | 136.8 | 49% | 0.487 | 75% | 0.754 | S | S | . | * | | | trans | -61.6 | 140.9 | 173.6 | 24.6 | -31.2 | 0 | 0 | 0 | 109.2 | H61 L65 | H61-P63 WeakPolarHBondContact O-CD 3.47Å; P63-L65 PolarHBondContact O-N 2.94Å |
| 64 | E | 64.8 | Low | 61.4 | Low | 163 Ų | 163 | 135 Ų | 135 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | | | trans | -56.9 | 104 | 178.7 | -69 | -179.6 | -175.6 | 0 | 0 | 110.4 | R66 | E64-R66 PolarHBondContact O-N 3.42Å; E64-R66 IonicContact OE2-NH2 3.57Å |
| 65 | L | 61.3 | Low | 62.3 | Low | 156 Ų | 156 | 137.3 Ų | 137.3 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | | | trans | -79.8 | 111.5 | 173.6 | -61.1 | -179.4 | 0 | 0 | 0 | 108.1 | P63 | P63-L65 PolarHBondContact O-N 2.94Š|
| 66 | R | 69.3 | Low | 62.9 | Low | 203 Ų | 203 | 142 Ų | 142 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | | | trans | -78.2 | 126.7 | 171.9 | -62.3 | -140.6 | -179.5 | -105.4 | -10.6 | 109.3 | E64 V68 | E64-R66 PolarHBondContact O-N 3.42Å; E64-R66 IonicContact OE2-NH2 3.57Å; R66-V68 PolarHBondContact O-N 2.84Å |
| 67 | A | 62.3 | Low | 63.4 | Low | 107 Ų | 107 | 142.5 Ų | 142.5 | 88% | 0.884 | 76% | 0.758 | S | S | * | * | | | trans | -63.5 | 124.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 68 | V | 62.6 | Low | 64.3 | Low | 134 Ų | 134 | 143 Ų | 143 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | | | trans | -106.5 | 128.9 | 170.3 | -174.5 | 0 | 0 | 0 | 0 | 107.2 | R66 | R66-V68 PolarHBondContact O-N 2.84Š|
| 69 | S | 57.7 | Low | 64.8 | Low | 100 Ų | 100 | 144.7 Ų | 144.7 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 137.4 | 177.2 | -59 | 0 | 0 | 0 | 0 | 110.4 | V71 | S69-V71 PolarHBondContact O-N 2.92Š|
| 70 | P | 66.5 | Low | 65.5 | Low | 117 Ų | 117 | 141.6 Ų | 141.6 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 129 | 174.7 | 25.8 | -32.1 | 0 | 0 | 0 | 109.3 | | |
| 71 | V | 74.8 | Confident | 66.5 | Low | 122 Ų | 122 | 139.5 Ų | 139.5 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 119.8 | 170.1 | 177.2 | 0 | 0 | 0 | 0 | 107.5 | S69 L73 | S69-V71 PolarHBondContact O-N 2.92Å; V71-L73 PolarHBondContact O-N 2.85Å; V71-L73 HydrophobicContact CG1-CD2 4.37Å |
| 72 | L | 70.1 | Confident | 67.3 | Low | 161 Ų | 161 | 136.2 Ų | 136.2 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | | | trans | -75.2 | 109.8 | 170.7 | -63.6 | 177.7 | 0 | 0 | 0 | 108.3 | | |
| 73 | L | 68.2 | Low | 67.5 | Low | 142 Ų | 142 | 134.1 Ų | 134.1 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | | | trans | -77.3 | 143.9 | 169.3 | -64.5 | 178 | 0 | 0 | 0 | 109.3 | V71 E75 | V71-L73 PolarHBondContact O-N 2.85Å; V71-L73 HydrophobicContact CG1-CD2 4.37Å; L73-E75 PolarHBondContact O-N 2.94Å |
| 74 | P | 70.9 | Confident | 67.5 | Low | 95 Ų | 95 | 135 Ų | 135 | 62% | 0.617 | 78% | 0.781 | S | S | * | * | | | trans | -58.8 | 135 | 172 | 22.8 | -30.7 | 0 | 0 | 0 | 110.1 | R76 | P74-R76 PolarHBondContact O-N 3.04Š|
| 75 | E | 70.1 | Confident | 67.3 | Low | 196 Ų | 196 | 130.3 Ų | 130.3 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -61.3 | -18.5 | -174.3 | -64 | 173.1 | 170.4 | 0 | 0 | 113.5 | L73 | L73-E75 PolarHBondContact O-N 2.94Š|
| 76 | R | 67.1 | Low | 67.1 | Low | 223 Ų | 223 | 134.4 Ų | 134.4 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | | | trans | -140.2 | 113.3 | -176.3 | -61.9 | -177.6 | 77.1 | -169.6 | 3.8 | 110.7 | P74 | P74-R76 PolarHBondContact O-N 3.04Š|
| 77 | L | 70.2 | Confident | 66.5 | Low | 143 Ų | 143 | 127.9 Ų | 127.9 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 135.6 | 157.9 | -68 | 170.7 | 0 | 0 | 0 | 107.9 | L79 | L77-L79 PolarHBondContact O-N 3.04Š|
| 78 | P | 72.4 | Confident | 66.2 | Low | 125 Ų | 125 | 126.9 Ų | 126.9 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 116.3 | 176.2 | 23.9 | -31 | 0 | 0 | 0 | 108.6 | | |
| 79 | L | 70.8 | Confident | 65.8 | Low | 156 Ų | 156 | 128.7 Ų | 128.7 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 135.4 | 170.3 | -66 | 174.4 | 0 | 0 | 0 | 107.5 | L77 | L77-L79 PolarHBondContact O-N 3.04Š|
| 80 | P | 69.8 | Low | 65.7 | Low | 106 Ų | 106 | 132 Ų | 132 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 144.8 | 169.1 | 26.2 | -32.9 | 0 | 0 | 0 | 108.2 | A82 | P80-A82 PolarHBondContact O-N 2.93Š|
| 81 | P | 75.6 | Confident | 65.2 | Low | 120 Ų | 120 | 128.4 Ų | 128.4 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 133.4 | 176.9 | 19.6 | -29.9 | 0 | 0 | 0 | 108.7 | G83 | P81-G83 PolarHBondContact O-N 2.83Š|
| 82 | A | 70.9 | Confident | 64.3 | Low | 101 Ų | 101 | 128.7 Ų | 128.7 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | | | trans | -53.1 | 108.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | P80 A84 | P80-A82 PolarHBondContact O-N 2.93Å; A82-A84 PolarHBondContact O-N 3.24Å |
| 83 | G | 63.1 | Low | 63.7 | Low | 72 Ų | 72 | 129.2 Ų | 129.2 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | | | trans | -53.1 | 115.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | P81 G85 | P81-G83 PolarHBondContact O-N 2.83Å; G83-G85 PolarHBondContact O-N 2.76Å |
| 84 | A | 58.6 | Low | 63 | Low | 94 Ų | 94 | 128.9 Ų | 128.9 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | | | trans | -58.3 | 99.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 104.8 | A82 R86 | A82-A84 PolarHBondContact O-N 3.24Å; A84-R86 PolarHBondContact O-N 3.04Å |
| 85 | G | 61.5 | Low | 62.2 | Low | 64 Ų | 64 | 127.3 Ų | 127.3 | 66% | 0.66 | 76% | 0.761 | S | S | * | * | | | trans | -52.4 | 119.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | G83 | G83-G85 PolarHBondContact O-N 2.76Š|
| 86 | R | 57 | Low | 61 | Low | 241 Ų | 241 | 126.7 Ų | 126.7 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | | | trans | 168.3 | 136 | 164.8 | -90.1 | 144.8 | -164.2 | -128.7 | 7.5 | 105.2 | A84 | A84-R86 PolarHBondContact O-N 3.04Š|
| 87 | A | 57.2 | Low | 60.1 | Low | 66 Ų | 66 | 124.6 Ų | 124.6 | 55% | 0.545 | 76% | 0.76 | S | S | . | * | | | cis | -149.4 | 167.5 | 9.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | H89 | A87-H89 PolarHBondContact O-CD2 3.27Å; A87-H89 PolarHBondContact O-N 3.33Å; A87-H89 VanDerWaalsContact C-N 3.33Å |
| 88 | A | 54.8 | Low | 58.9 | Low | 86 Ų | 86 | 123.7 Ų | 123.7 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | | | trans | -55.3 | 97.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | H90 | A88-H90 VanDerWaalsContact C-N 3.32Å; A88-H90 PolarHBondContact O-N 2.8Å |
| 89 | H | 53.9 | Low | 57.4 | Low | 172 Ų | 172 | 133 Ų | 133 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | | | trans | -86.5 | 84.2 | 163.7 | -67.9 | -71.1 | 0 | 0 | 0 | 106.9 | A87 G91 | A87-H89 PolarHBondContact O-CD2 3.27Å; A87-H89 PolarHBondContact O-N 3.33Å; A87-H89 VanDerWaalsContact C-N 3.33Å; H89-G91 PolarHBondContact O-N 2.96Å |
| 90 | H | 55.9 | Low | 56.8 | Low | 169 Ų | 169 | 131.9 Ų | 131.9 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | | | trans | -67.1 | 89 | 156.4 | -69 | -34.5 | 0 | 0 | 0 | 107.3 | A88 | A88-H90 VanDerWaalsContact C-N 3.32Å; A88-H90 PolarHBondContact O-N 2.8Å |
| 91 | G | 56.4 | Low | 56.1 | Low | 43 Ų | 43 | 133.3 Ų | 133.3 | 44% | 0.443 | 78% | 0.783 | S | S | . | * | P | Polyproline II helix | trans | -74 | 152.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | H89 H93 | H89-G91 PolarHBondContact O-N 2.96Å; G91-H93 PolarHBondContact O-N 3.15Å; G91-H93 VanDerWaalsContact O-N 3.1Å |
| 92 | P | 56.7 | Low | 55 | Low | 127 Ų | 127 | 134 Ų | 134 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 120.4 | -176.4 | 26.6 | -31.9 | 0 | 0 | 0 | 109 | C94 | P92-C94 PolarHBondContact O-N 3.1Å; P92-C94 VanDerWaalsContact O-N 3.15Å |
| 93 | H | 56.1 | Low | 54 | Low | 173 Ų | 173 | 135.9 Ų | 135.9 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 116.5 | 173 | -63.3 | -74.3 | 0 | 0 | 0 | 108.5 | G91 G95 | G91-H93 PolarHBondContact O-N 3.15Å; G91-H93 VanDerWaalsContact O-N 3.1Å; H93-G95 VanDerWaalsContact C-N 3.32Å; H93-G95 PolarHBondContact O-N 2.87Å |
| 94 | C | 53.5 | Low | 53.5 | Low | 135 Ų | 135 | 139.9 Ų | 139.9 | 91% | 0.912 | 78% | 0.782 | S | S | * | * | | | trans | -66.1 | 91.1 | 172.2 | -68.3 | 0 | 0 | 0 | 0 | 109.5 | P92 | P92-C94 PolarHBondContact O-N 3.1Å; P92-C94 VanDerWaalsContact O-N 3.15Å |
| 95 | G | 55.4 | Low | 53.1 | Low | 62 Ų | 62 | 143 Ų | 143 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | | | trans | -76.2 | 120.2 | 151.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | H93 | H93-G95 VanDerWaalsContact C-N 3.32Å; H93-G95 PolarHBondContact O-N 2.87Å |
| 96 | F | 44.8 | Very low | 52.5 | Low | 182 Ų | 182 | 148.6 Ų | 148.6 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | | | trans | 163.5 | 98.2 | 139.2 | -107.4 | -90.4 | 0 | 0 | 0 | 109.9 | | |
| 97 | L | 47.6 | Very low | 52.2 | Low | 180 Ų | 180 | 141.5 Ų | 141.5 | 94% | 0.942 | 78% | 0.782 | S | S | * | * | | | trans | -144.7 | 84.6 | 145.1 | -82 | -178.9 | 0 | 0 | 0 | 107.5 | | |
| 98 | T | 43.8 | Very low | 51.8 | Low | 123 Ų | 123 | 147.8 Ų | 147.8 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | | | trans | -114.5 | 116.6 | 153.1 | 46.3 | 0 | 0 | 0 | 0 | 106.6 | | |
| 99 | R | 42.4 | Very low | 51.5 | Low | 322 Ų | 322 | 153.5 Ų | 153.5 | 100% | 1.215 | 81% | 0.81 | S | S | * | * | | | trans | -94.8 | 0 | 164.5 | -138.1 | -171.7 | -163.8 | -176 | 4.7 | 108.2 | | |