| 1 | M | 35.7 | Very low | 39.6 | Very low | 229 Ų | 229 | 134.1 Ų | 134.1 | 100% | 1.128 | 85% | 0.852 | S | S | * | * | | | | 0 | 120.5 | 0 | -65.7 | 159.7 | 78.4 | 0 | 0 | 106.3 | | |
| 2 | S | 37.4 | Very low | 39.4 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 88% | 0.881 | 85% | 0.846 | S | S | * | * | | | | 54.6 | 110 | 102.2 | -47 | 0 | 0 | 0 | 0 | 111 | | |
| 3 | G | 38 | Very low | 39.8 | Very low | 78 Ų | 78 | 131 Ų | 131 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | | | | 126.6 | 169.7 | 50.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 4 | R | 45.7 | Very low | 40 | Very low | 234 Ų | 234 | 132.9 Ų | 132.9 | 88% | 0.883 | 84% | 0.841 | S | S | * | * | | | cis | -168.5 | 149.3 | 9.9 | -147.2 | 179.7 | 81.6 | -132.4 | 6.8 | 107.8 | | |
| 5 | S | 42 | Very low | 40.3 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | | | trans | 67.4 | 147.7 | 160.1 | -156.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 6 | G | 34.9 | Very low | 40.7 | Very low | 73 Ų | 73 | 132.6 Ų | 132.6 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | | | cis | 155.4 | 171.4 | -7.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 7 | G | 35.7 | Very low | 41 | Very low | 85 Ų | 85 | 134.6 Ų | 134.6 | 88% | 0.876 | 84% | 0.835 | S | S | * | * | | | trans | 131.7 | 95.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 8 | A | 39.3 | Very low | 42 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | | | trans | -103.5 | 162.6 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 9 | P | 51.9 | Low | 42.4 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | | | | -150.5 | 154.5 | 89 | 38.2 | -21 | 0 | 0 | 0 | 117.2 | | |
| 10 | R | 43.3 | Very low | 42.7 | Very low | 250 Ų | 250 | 135.6 Ų | 135.6 | 94% | 0.943 | 82% | 0.823 | S | S | * | * | | | trans | 41.3 | 124.7 | 140.2 | -61.8 | 174.5 | 173.1 | 176.4 | -3.2 | 120.2 | | |
| 11 | G | 31.6 | Very low | 43.1 | Very low | 72 Ų | 72 | 140.4 Ų | 140.4 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | | | trans | -172.3 | 112.4 | 157.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 12 | C | 37.1 | Very low | 43.8 | Very low | 116 Ų | 116 | 134 Ų | 134 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | | | trans | 36.7 | 102.5 | 154.7 | -59.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 13 | S | 45.5 | Very low | 44.4 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | | | trans | -23.6 | 131.9 | 140.4 | 50.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 14 | N | 42 | Very low | 45.4 | Very low | 158 Ų | 158 | 136 Ų | 136 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | trans | -121.7 | 109.2 | 156.3 | -79.5 | -77.1 | 0 | 0 | 0 | 108.7 | S16 | N14-S16 PolarHBondContact O-N 3.13Š|
| 15 | L | 44.3 | Very low | 45.6 | Very low | 162 Ų | 162 | 130.4 Ų | 130.4 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | | | trans | -77.3 | 117.8 | 171 | -70.9 | 169.5 | 0 | 0 | 0 | 108.2 | L17 | L15-L17 PolarHBondContact O-N 2.85Š|
| 16 | S | 46.3 | Very low | 45.9 | Very low | 99 Ų | 99 | 133 Ų | 133 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | | | trans | -70.6 | 100.7 | 177.4 | 48.3 | 0 | 0 | 0 | 0 | 110.5 | N14 Q18 | N14-S16 PolarHBondContact O-N 3.13Å; S16-Q18 PolarHBondContact O-N 3.31Å |
| 17 | L | 46.9 | Very low | 46.7 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | | | trans | -66.4 | 98.3 | 172.8 | -68.2 | 176.1 | 0 | 0 | 0 | 109.6 | L15 | L15-L17 PolarHBondContact O-N 2.85Š|
| 18 | Q | 57.8 | Low | 47.3 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | | | trans | -66.2 | 128.1 | 172.4 | -65.3 | -65.6 | -22.1 | 0 | 0 | 109.4 | S16 L20 | S16-Q18 PolarHBondContact O-N 3.31Å; Q18-L20 PolarHBondContact O-N 3.14Å |
| 19 | P | 49.9 | Very low | 47.6 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | | | trans | -69.1 | 123.6 | 177.2 | 27.7 | -33 | 0 | 0 | 0 | 110.1 | R21 | P19-R21 PolarHBondContact O-N 3.12Å; P19-R21 VanDerWaalsContact O-N 3.09Å |
| 20 | L | 48.4 | Very low | 47.1 | Very low | 167 Ų | 167 | 152.5 Ų | 152.5 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -62.9 | 113.5 | 175.6 | -77.9 | 77.7 | 0 | 0 | 0 | 109.5 | Q18 A22 | Q18-L20 PolarHBondContact O-N 3.14Å; L20-A22 VanDerWaalsContact C-N 3.3Å; L20-A22 PolarHBondContact O-N 3.04Å |
| 21 | R | 50.5 | Low | 47 | Very low | 237 Ų | 237 | 143.7 Ų | 143.7 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | | | trans | -72.7 | 85.4 | 171.4 | -73.9 | -137 | -78.8 | 168.1 | -9.3 | 110.5 | P19 T23 | P19-R21 PolarHBondContact O-N 3.12Å; P19-R21 VanDerWaalsContact O-N 3.09Å; R21-T23 PolarHBondContact O-N 2.95Å |
| 22 | A | 51.5 | Low | 47.6 | Very low | 95 Ų | 95 | 145.7 Ų | 145.7 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -67.9 | 107.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | L20 | L20-A22 VanDerWaalsContact C-N 3.3Å; L20-A22 PolarHBondContact O-N 3.04Å |
| 23 | T | 50.4 | Low | 48 | Very low | 115 Ų | 115 | 144.7 Ų | 144.7 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | -148.5 | 83.5 | 170.4 | -50.3 | 0 | 0 | 0 | 0 | 109.5 | R21 | R21-T23 PolarHBondContact O-N 2.95Š|
| 24 | V | 58 | Low | 47.9 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | | | trans | -101.3 | 111.8 | 166.6 | -176.8 | 0 | 0 | 0 | 0 | 107.2 | F26 | V24-F26 PolarHBondContact O-N 3.01Å; V24-F26 VanDerWaalsContact O-N 3.13Å |
| 25 | P | 50.9 | Low | 47.8 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | | | trans | -73 | 105.1 | 178.1 | 28.7 | -32.6 | 0 | 0 | 0 | 109.8 | Q27 | P25-Q27 PolarHBondContact O-N 3.19Š|
| 26 | F | 48.3 | Very low | 47.3 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | | | trans | -82.3 | 114 | 174 | 62.1 | -86.6 | 0 | 0 | 0 | 109.9 | V24 L28 | V24-F26 PolarHBondContact O-N 3.01Å; V24-F26 VanDerWaalsContact O-N 3.13Å; F26-L28 HydrophobicContact CD2-CD1 4.35Å; F26-L28 HydrophobicContact CD2-CG 4.11Å; F26-L28 HydrophobicContact CE2-CD1 4.02Å; F26-L28 HydrophobicContact CE2-CG 4.29Å; F26-L28 PolarHBondContact O-N 3.2Å |
| 27 | Q | 51.8 | Low | 47 | Very low | 187 Ų | 187 | 150 Ų | 150 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | -92.8 | 94.7 | -174.5 | -163.2 | 172.3 | 12.1 | 0 | 0 | 110.5 | P25 Q29 | P25-Q27 PolarHBondContact O-N 3.19Å; Q27-Q29 PolarHBondContact O-N 3.15Å; Q27-Q29 VanDerWaalsContact O-N 3.08Å |
| 28 | L | 47 | Very low | 46.5 | Very low | 149 Ų | 149 | 150.3 Ų | 150.3 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | | | trans | -68.6 | 103.5 | 178 | -77.9 | 169.7 | 0 | 0 | 0 | 111.4 | F26 R30 | F26-L28 HydrophobicContact CD2-CD1 4.35Å; F26-L28 HydrophobicContact CD2-CG 4.11Å; F26-L28 HydrophobicContact CE2-CD1 4.02Å; F26-L28 HydrophobicContact CE2-CG 4.29Å; F26-L28 PolarHBondContact O-N 3.2Å; L28-R30 PolarHBondContact O-N 3.34Å |
| 29 | Q | 45.5 | Very low | 45.8 | Very low | 191 Ų | 191 | 148.7 Ų | 148.7 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | | | trans | -65.9 | 113 | 169.3 | -70.6 | -174.8 | -13.8 | 0 | 0 | 110.3 | Q27 G31 | Q27-Q29 PolarHBondContact O-N 3.15Å; Q27-Q29 VanDerWaalsContact O-N 3.08Å; Q29-G31 PolarHBondContact O-N 2.99Å; Q29-G31 VanDerWaalsContact O-N 3.14Å |
| 30 | R | 42.8 | Very low | 45 | Very low | 250 Ų | 250 | 152.5 Ų | 152.5 | 94% | 0.943 | 81% | 0.812 | S | S | * | * | | | trans | -82.2 | 88.3 | 179 | -168.2 | 179.5 | -170 | 174.7 | 3.5 | 110.4 | L28 | L28-R30 PolarHBondContact O-N 3.34Š|
| 31 | G | 41 | Very low | 44.7 | Very low | 64 Ų | 64 | 149 Ų | 149 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | | | trans | -62.5 | 130.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q29 | Q29-G31 PolarHBondContact O-N 2.99Å; Q29-G31 VanDerWaalsContact O-N 3.14Å |
| 32 | S | 44.5 | Very low | 44.1 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | | | trans | 34 | 113.3 | 154.2 | 59.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 33 | A | 43.9 | Very low | 43.8 | Very low | 96 Ų | 96 | 147.2 Ų | 147.2 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 140.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 34 | P | 44.8 | Very low | 43.4 | Very low | 126 Ų | 126 | 151.1 Ų | 151.1 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 128 | 175.3 | 31 | -33 | 0 | 0 | 0 | 111 | | |
| 35 | L | 40.1 | Very low | 43 | Very low | 156 Ų | 156 | 152 Ų | 152 | 82% | 0.817 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 121.2 | 176.9 | -166 | 156 | 0 | 0 | 0 | 109.3 | R37 | L35-R37 PolarHBondContact O-N 3.36Š|
| 36 | C | 33.4 | Very low | 42.4 | Very low | 128 Ų | 128 | 150.4 Ų | 150.4 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 126.2 | -179 | -88.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 37 | R | 40 | Very low | 42.2 | Very low | 232 Ų | 232 | 147 Ų | 147 | 88% | 0.875 | 82% | 0.821 | S | S | * | * | | | trans | -127.2 | 117.4 | 159.1 | -91 | -170.7 | 168.3 | -176.6 | -3.1 | 109.7 | L35 | L35-R37 PolarHBondContact O-N 3.36Š|
| 38 | E | 36.3 | Very low | 41.8 | Very low | 172 Ų | 172 | 149.4 Ų | 149.4 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | trans | -65.5 | 143.1 | 161.6 | -161.5 | -162.6 | 127.8 | 0 | 0 | 109.4 | | |
| 39 | P | 43.7 | Very low | 41.8 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 75% | 0.747 | 82% | 0.819 | S | S | * | * | | | | -143.5 | 133 | 118.3 | 34.5 | -20.2 | 0 | 0 | 0 | 114.4 | | |
| 40 | K | 33.3 | Very low | 42.3 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 82% | 0.817 | 81% | 0.814 | S | S | * | * | | | trans | 40.6 | 130.8 | 147.6 | -69.2 | -166.7 | 171.5 | -171.8 | 0 | 120.7 | | |
| 41 | A | 40.3 | Very low | 42.7 | Very low | 94 Ų | 94 | 143 Ų | 143 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | | | trans | -64.9 | 146.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 42 | V | 38.1 | Very low | 43.1 | Very low | 138 Ų | 138 | 145.4 Ų | 145.4 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | | | trans | -145.2 | 127.3 | 146.9 | 138.5 | 0 | 0 | 0 | 0 | 106.5 | K44 | V42-K44 PolarHBondContact O-N 3.14Š|
| 43 | D | 45.6 | Very low | 43.5 | Very low | 157 Ų | 157 | 145.7 Ų | 145.7 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | | | trans | -72.5 | 124.8 | 179 | -71.6 | -79.5 | 0 | 0 | 0 | 112.2 | | |
| 44 | K | 42.6 | Very low | 44.2 | Very low | 196 Ų | 196 | 148.4 Ų | 148.4 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | | | trans | -154.2 | 117.5 | 152.9 | -152.1 | 143.5 | -172.7 | 169.8 | 0 | 113 | V42 A46 | V42-K44 PolarHBondContact O-N 3.14Å; K44-A46 PolarHBondContact O-N 3.21Å |
| 45 | T | 48.7 | Very low | 44.7 | Very low | 148 Ų | 148 | 152.3 Ų | 152.3 | 91% | 0.908 | 81% | 0.808 | S | S | * | * | | | trans | -58.7 | 114.3 | 177.3 | -51.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 46 | A | 38.8 | Very low | 45.4 | Very low | 85 Ų | 85 | 155.2 Ų | 155.2 | 70% | 0.702 | 81% | 0.808 | S | S | * | * | | | trans | -152 | 92.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | K44 R48 | K44-A46 PolarHBondContact O-N 3.21Å; A46-R48 PolarHBondContact O-N 3.08Å; A46-R48 VanDerWaalsContact O-N 3.15Å |
| 47 | A | 43.9 | Very low | 46.6 | Very low | 101 Ų | 101 | 156 Ų | 156 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | | | trans | -62.9 | 115.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 48 | R | 43.4 | Very low | 47.3 | Very low | 238 Ų | 238 | 151.2 Ų | 151.2 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -82 | 121.5 | 171.5 | -78.1 | -176.7 | 170.3 | 172.5 | -0.7 | 109.1 | A46 | A46-R48 PolarHBondContact O-N 3.08Å; A46-R48 VanDerWaalsContact O-N 3.15Å |
| 49 | P | 48 | Very low | 48.6 | Very low | 112 Ų | 112 | 146.1 Ų | 146.1 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 143.1 | 172.9 | 27.3 | -33.8 | 0 | 0 | 0 | 110.1 | R51 | P49-R51 PolarHBondContact O-N 3.37Š|
| 50 | P | 54.9 | Low | 49.6 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 130.8 | 173.9 | 27.1 | -33.5 | 0 | 0 | 0 | 109.5 | P52 | P50-P52 WeakPolarHBondContact O-CD 3.25Š|
| 51 | R | 51.4 | Low | 51.2 | Low | 223 Ų | 223 | 143.4 Ų | 143.4 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 122.2 | 179.4 | -71 | 177.1 | 174.3 | 154.1 | -4.3 | 109.7 | P49 T53 | P49-R51 PolarHBondContact O-N 3.37Å; R51-T53 VanDerWaalsContact C-N 3.29Å; R51-T53 PolarHBondContact O-N 3.47Å; R51-T53 PolarHBondContact O-OG1 3.49Å |
| 52 | P | 48.9 | Very low | 52.5 | Low | 114 Ų | 114 | 142.4 Ų | 142.4 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | | | trans | -70 | 86.3 | 178.3 | 28.8 | -34.5 | 0 | 0 | 0 | 109.8 | P50 I54 | P50-P52 WeakPolarHBondContact O-CD 3.25Å; P52-I54 HydrophobicContact CB-CG1 4.4Å; P52-I54 PolarHBondContact O-N 3.19Å |
| 53 | T | 53.7 | Low | 54 | Low | 120 Ų | 120 | 141 Ų | 141 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | | | trans | -84.8 | 57.9 | -174.4 | -49.8 | 0 | 0 | 0 | 0 | 109.7 | R51 R55 | R51-T53 VanDerWaalsContact C-N 3.29Å; R51-T53 PolarHBondContact O-N 3.47Å; R51-T53 PolarHBondContact O-OG1 3.49Å; T53-R55 PolarHBondContact O-N 3.32Å |
| 54 | I | 57.6 | Low | 55.3 | Low | 153 Ų | 153 | 136.5 Ų | 136.5 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | | | trans | -74.3 | 72.2 | -179 | -53.5 | 179 | 0 | 0 | 0 | 109.1 | P52 | P52-I54 HydrophobicContact CB-CG1 4.4Å; P52-I54 PolarHBondContact O-N 3.19Å |
| 55 | R | 55.4 | Low | 56.8 | Low | 208 Ų | 208 | 129.1 Ų | 129.1 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | | | trans | -144.2 | 55.1 | 172.9 | -76.1 | -159.8 | 167.4 | -156 | -4.7 | 111.7 | T53 | T53-R55 PolarHBondContact O-N 3.32Š|
| 56 | R | 55.8 | Low | 58.1 | Low | 217 Ų | 217 | 124.8 Ų | 124.8 | 82% | 0.819 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -171.4 | 150.8 | 151.6 | -97.2 | 141.6 | -166.8 | 95.4 | -8.8 | 108.8 | L58 | R56-L58 PolarHBondContact O-N 3.07Å; R56-L58 VanDerWaalsContact O-N 3.16Å |
| 57 | T | 57.7 | Low | 59.4 | Low | 144 Ų | 144 | 127.1 Ų | 127.1 | 88% | 0.883 | 67% | 0.666 | S | S | * | * | | | trans | -69.4 | 102.2 | 166.6 | 46.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 58 | L | 54.2 | Low | 61.1 | Low | 132 Ų | 132 | 129.3 Ų | 129.3 | 69% | 0.691 | 66% | 0.663 | S | S | * | * | | | trans | -72.5 | 147.7 | 174.1 | -63.6 | 177.3 | 0 | 0 | 0 | 109.8 | R56 T62 | R56-L58 PolarHBondContact O-N 3.07Å; R56-L58 VanDerWaalsContact O-N 3.16Å; L58-T62 HydrophobicContact CB-CG2 4.03Å; L58-T62 HydrophobicContact CD1-CG2 4.39Å |
| 59 | S | 64.4 | Low | 62.6 | Low | 66 Ų | 66 | 125.3 Ų | 125.3 | 46% | 0.462 | 66% | 0.655 | S | S | . | * | | | trans | -73 | 158.8 | 177.9 | 56.1 | 0 | 0 | 0 | 0 | 111.5 | D61 T62 | S59-D61 WeakPolarHBondContact CB-OD2 3.46Å; S59-D61 PolarHBondContact O-N 3.18Å; S59-D61 VanDerWaalsContact O-N 3.1Å; S59-D61 PolarHBondContact OG-OD2 3.45Å; S59-T62 PolarHBondContact O-N 3.27Å; S59-T62 PolarHBondContact O-OG1 3.08Å |
| 60 | L | 65.4 | Low | 63.6 | Low | 128 Ų | 128 | 122.2 Ų | 122.2 | 67% | 0.67 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -27.1 | -174.8 | -143.7 | 157.5 | 0 | 0 | 0 | 112 | T62 I63 V64 | L60-T62 PolarHBondContact O-N 3.49Å; L60-I63 HydrophobicContact CD2-CD1 4.01Å; L60-I63 HydrophobicContact CD2-CG1 4.04Å; L60-I63 HydrophobicContact CG-CD1 4.44Å; L60-I63 WeakPolarHBondContact O-CG1 3.07Å; L60-I63 PolarHBondContact O-N 3.37Å; L60-V64 HydrophobicContact CD2-CG2 4.02Å; L60-V64 PolarHBondContact O-N 3.44Å |
| 61 | D | 66.9 | Low | 64.2 | Low | 117 Ų | 117 | 121.3 Ų | 121.3 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -51.6 | -32.1 | 174.5 | -34.4 | -63.7 | 0 | 0 | 0 | 113 | S59 I63 V64 | S59-D61 WeakPolarHBondContact CB-OD2 3.46Å; S59-D61 PolarHBondContact O-N 3.18Å; S59-D61 VanDerWaalsContact O-N 3.1Å; S59-D61 PolarHBondContact OG-OD2 3.45Å; D61-I63 VanDerWaalsContact C-N 3.26Å; D61-I63 PolarHBondContact O-N 3.33Å; D61-V64 PolarHBondContact O-N 3.29Å |
| 62 | T | 67.8 | Low | 64.9 | Low | 74 Ų | 74 | 117.8 Ų | 117.8 | 45% | 0.454 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.6 | -19 | -178.6 | 59.1 | 0 | 0 | 0 | 0 | 114.4 | L58 S59 L60 | L58-T62 HydrophobicContact CB-CG2 4.03Å; L58-T62 HydrophobicContact CD1-CG2 4.39Å; S59-T62 PolarHBondContact O-N 3.27Å; S59-T62 PolarHBondContact O-OG1 3.08Å; L60-T62 PolarHBondContact O-N 3.49Å |
| 63 | I | 68.8 | Low | 65.7 | Low | 107 Ų | 107 | 118 Ų | 118 | 55% | 0.549 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -100.9 | -19.8 | 172.7 | 58.5 | 165.7 | 0 | 0 | 0 | 113.3 | L60 D61 Y67 | L60-I63 HydrophobicContact CD2-CD1 4.01Å; L60-I63 HydrophobicContact CD2-CG1 4.04Å; L60-I63 HydrophobicContact CG-CD1 4.44Å; L60-I63 WeakPolarHBondContact O-CG1 3.07Å; L60-I63 PolarHBondContact O-N 3.37Å; D61-I63 VanDerWaalsContact C-N 3.26Å; D61-I63 PolarHBondContact O-N 3.33Å; I63-Y67 WeakPolarHBondContact O-CB 3.28Å |
| 64 | V | 73.9 | Confident | 66.1 | Low | 63 Ų | 63 | 121.8 Ų | 121.8 | 38% | 0.382 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68 | -42 | -176.4 | 173 | 0 | 0 | 0 | 0 | 112.3 | L60 D61 Y67 L68 | L60-V64 HydrophobicContact CD2-CG2 4.02Å; L60-V64 PolarHBondContact O-N 3.44Å; D61-V64 PolarHBondContact O-N 3.29Å; V64-Y67 WeakPolarHBondContact O-CB 3.34Å; V64-Y67 PolarHBondContact O-N 2.98Å; V64-L68 HydrophobicContact CG1-CD1 3.75Å; V64-L68 HydrophobicContact CG1-CG 4.16Å; V64-L68 WeakPolarHBondContact O-CG 3.49Å; V64-L68 PolarHBondContact O-N 3.06Å; V64-L68 VanDerWaalsContact O-N 3.08Å |
| 65 | G | 73.9 | Confident | 65.8 | Low | 42 Ų | 42 | 123.3 Ų | 123.3 | 43% | 0.433 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -56.1 | -57.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y67 L68 Q69 | G65-Y67 VanDerWaalsContact C-N 3.29Å; G65-Y67 PolarHBondContact O-N 3.03Å; G65-L68 PolarHBondContact O-N 3.1Å; G65-Q69 PolarHBondContact O-N 3.41Å |
| 66 | P | 74.6 | Confident | 65.7 | Low | 56 Ų | 56 | 117.9 Ų | 117.9 | 36% | 0.364 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -61.3 | -36.1 | 178.2 | -23.7 | 34.1 | 0 | 0 | 0 | 113.5 | Q69 G70 Q71 | P66-Q69 CarbonylContact O-C 3.56Å; P66-Q69 PolarHBondContact O-N 2.57Å; P66-G70 PolarHBondContact O-N 2.9Å; P66-Q71 VanDerWaalsContact CB-O 3.28Å; P66-Q71 WeakPolarHBondContact CB-O 3.08Å; P66-Q71 CarbonylContact O-C 3.55Å; P66-Q71 PolarHBondContact O-N 2.97Å |
| 67 | Y | 67.1 | Low | 65.2 | Low | 134 Ų | 134 | 116.4 Ų | 116.4 | 53% | 0.525 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.1 | -47.2 | -178.6 | -161.2 | -67.9 | 0 | 0 | 0 | 111.8 | I63 V64 G65 Q69 G70 W72 | I63-Y67 WeakPolarHBondContact O-CB 3.28Å; V64-Y67 WeakPolarHBondContact O-CB 3.34Å; V64-Y67 PolarHBondContact O-N 2.98Å; G65-Y67 VanDerWaalsContact C-N 3.29Å; G65-Y67 PolarHBondContact O-N 3.03Å; Y67-Q69 PolarHBondContact O-N 3.13Å; Y67-G70 PolarHBondContact O-N 2.89Å; Y67-W72 HydrophobicContact CD2-CE3 4.45Å; Y67-W72 AromaticContact CD2-CH2 3.99Å; Y67-W72 HydrophobicContact CD2-CH2 3.99Å; Y67-W72 AromaticContact CD2-CZ3 3.94Å; Y67-W72 HydrophobicContact CD2-CZ3 3.94Å; Y67-W72 HydrophobicContact CE1-CH2 4.18Å; Y67-W72 HydrophobicContact CE1-CZ2 4.18Å; Y67-W72 HydrophobicContact CE2-CE3 4.38Å; Y67-W72 AromaticContact CE2-CH2 3.24Å; Y67-W72 HydrophobicContact CE2-CH2 3.24Å; Y67-W72 AromaticContact CE2-CZ2 3.99Å; Y67-W72 HydrophobicContact CE2-CZ2 3.99Å; Y67-W72 AromaticContact CE2-CZ3 3.47Å; Y67-W72 HydrophobicContact CE2-CZ3 3.47Å; Y67-W72 VanDerWaalsContact CE2-CZ3 3.47Å; Y67-W72 AromaticContact CZ-CH2 3.35Å; Y67-W72 AromaticContact CZ-CZ2 3.8Å; Y67-W72 WeakPolarHBondContact OH-CH2 3.44Å |
| 68 | L | 79.6 | Confident | 64.5 | Low | 147 Ų | 147 | 113.9 Ų | 113.9 | 77% | 0.77 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.3 | -22.4 | 176.4 | -68.4 | 176.1 | 0 | 0 | 0 | 113 | V64 G65 | V64-L68 HydrophobicContact CG1-CD1 3.75Å; V64-L68 HydrophobicContact CG1-CG 4.16Å; V64-L68 WeakPolarHBondContact O-CG 3.49Å; V64-L68 PolarHBondContact O-N 3.06Å; V64-L68 VanDerWaalsContact O-N 3.08Å; G65-L68 PolarHBondContact O-N 3.1Å |
| 69 | Q | 74.1 | Confident | 64.2 | Low | 155 Ų | 155 | 114.5 Ų | 114.5 | 72% | 0.724 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 8.9 | 179.2 | -150.5 | 164.4 | 21.3 | 0 | 0 | 113.1 | G65 P66 Y67 Q71 | G65-Q69 PolarHBondContact O-N 3.41Å; P66-Q69 CarbonylContact O-C 3.56Å; P66-Q69 PolarHBondContact O-N 2.57Å; Y67-Q69 PolarHBondContact O-N 3.13Å; Q69-Q71 PolarHBondContact O-N 3.21Å |
| 70 | G | 69.1 | Low | 63.4 | Low | 46 Ų | 46 | 115.2 Ų | 115.2 | 47% | 0.474 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 68 | 0.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | P66 Y67 W72 | P66-G70 PolarHBondContact O-N 2.9Å; Y67-G70 PolarHBondContact O-N 2.89Å; G70-W72 VanDerWaalsContact C-N 3.28Å; G70-W72 PolarHBondContact O-N 2.82Å; G70-W72 VanDerWaalsContact O-N 3.07Å |
| 71 | Q | 68.9 | Low | 62.3 | Low | 102 Ų | 102 | 113.3 Ų | 113.3 | 48% | 0.477 | 65% | 0.646 | S | S | . | * | | | trans | -87.7 | 73.2 | 177.7 | -61.4 | -52.6 | -45.7 | 0 | 0 | 109.6 | P66 Q69 | P66-Q71 VanDerWaalsContact CB-O 3.28Å; P66-Q71 WeakPolarHBondContact CB-O 3.08Å; P66-Q71 CarbonylContact O-C 3.55Å; P66-Q71 PolarHBondContact O-N 2.97Å; Q69-Q71 PolarHBondContact O-N 3.21Å |
| 72 | W | 65.9 | Low | 61.1 | Low | 149 Ų | 149 | 113.9 Ų | 113.9 | 56% | 0.564 | 65% | 0.654 | S | S | * | * | | | trans | -50.8 | 144.8 | 164 | -68.9 | 92.6 | 0 | 0 | 0 | 110.7 | Y67 G70 R74 | Y67-W72 HydrophobicContact CD2-CE3 4.45Å; Y67-W72 AromaticContact CD2-CH2 3.99Å; Y67-W72 HydrophobicContact CD2-CH2 3.99Å; Y67-W72 AromaticContact CD2-CZ3 3.94Å; Y67-W72 HydrophobicContact CD2-CZ3 3.94Å; Y67-W72 HydrophobicContact CE1-CH2 4.18Å; Y67-W72 HydrophobicContact CE1-CZ2 4.18Å; Y67-W72 HydrophobicContact CE2-CE3 4.38Å; Y67-W72 AromaticContact CE2-CH2 3.24Å; Y67-W72 HydrophobicContact CE2-CH2 3.24Å; Y67-W72 AromaticContact CE2-CZ2 3.99Å; Y67-W72 HydrophobicContact CE2-CZ2 3.99Å; Y67-W72 AromaticContact CE2-CZ3 3.47Å; Y67-W72 HydrophobicContact CE2-CZ3 3.47Å; Y67-W72 VanDerWaalsContact CE2-CZ3 3.47Å; Y67-W72 AromaticContact CZ-CH2 3.35Å; Y67-W72 AromaticContact CZ-CZ2 3.8Å; Y67-W72 WeakPolarHBondContact OH-CH2 3.44Å; G70-W72 VanDerWaalsContact C-N 3.28Å; G70-W72 PolarHBondContact O-N 2.82Å; G70-W72 VanDerWaalsContact O-N 3.07Å; W72-R74 VanDerWaalsContact C-N 3.33Å; W72-R74 PolarHBondContact O-N 3.35Å |
| 73 | P | 64.6 | Low | 59.8 | Low | 117 Ų | 117 | 115.5 Ų | 115.5 | 76% | 0.76 | 67% | 0.667 | S | S | * | * | | | trans | -61 | 96 | 168.2 | -18.8 | 31.9 | 0 | 0 | 0 | 109.2 | E75 | P73-E75 PolarHBondContact O-N 3.37Š|
| 74 | R | 62.7 | Low | 58.8 | Low | 200 Ų | 200 | 118.1 Ų | 118.1 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 129.3 | 170 | -76 | -166.5 | -74.7 | -78.1 | 3.7 | 107.7 | W72 A76 | W72-R74 VanDerWaalsContact C-N 3.33Å; W72-R74 PolarHBondContact O-N 3.35Å; R74-A76 PolarHBondContact O-N 3.09Å |
| 75 | E | 50.5 | Low | 57.5 | Low | 185 Ų | 185 | 120.6 Ų | 120.6 | 86% | 0.864 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 130 | 173.8 | -65.7 | -179.3 | -171.1 | 0 | 0 | 108.7 | P73 E77 | P73-E75 PolarHBondContact O-N 3.37Å; E75-E77 PolarHBondContact O-N 3.15Å |
| 76 | A | 53.6 | Low | 56.4 | Low | 94 Ų | 94 | 124 Ų | 124 | 78% | 0.777 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 126.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | R74 A78 | R74-A76 PolarHBondContact O-N 3.09Å; A76-A78 PolarHBondContact O-N 3.2Å |
| 77 | E | 45.7 | Very low | 55.4 | Low | 186 Ų | 186 | 128.8 Ų | 128.8 | 87% | 0.869 | 72% | 0.715 | S | S | * | * | | | trans | -50.6 | 113 | -166.4 | -67.6 | 163.3 | 138 | 0 | 0 | 111.6 | E75 T79 | E75-E77 PolarHBondContact O-N 3.15Å; E77-T79 PolarHBondContact O-N 3.03Å |
| 78 | A | 43.5 | Very low | 55 | Low | 91 Ų | 91 | 126.4 Ų | 126.4 | 75% | 0.752 | 72% | 0.723 | S | S | * | * | | | trans | -73.9 | 87.3 | -157.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A76 G80 | A76-A78 PolarHBondContact O-N 3.2Å; A78-G80 VanDerWaalsContact C-N 3.26Å; A78-G80 PolarHBondContact O-N 3.07Å |
| 79 | T | 47.3 | Very low | 53.7 | Low | 146 Ų | 146 | 125.1 Ų | 125.1 | 90% | 0.896 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -71.4 | 81.8 | 168 | -55.7 | 0 | 0 | 0 | 0 | 110 | E77 | E77-T79 PolarHBondContact O-N 3.03Š|
| 80 | G | 48.4 | Very low | 52.2 | Low | 80 Ų | 80 | 125.1 Ų | 125.1 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 68.6 | 44.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | A78 | A78-G80 VanDerWaalsContact C-N 3.26Å; A78-G80 PolarHBondContact O-N 3.07Å |
| 81 | A | 40.7 | Very low | 51.2 | Low | 88 Ų | 88 | 128.1 Ų | 128.1 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | trans | -97 | 128.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 82 | T | 42.9 | Very low | 50.1 | Low | 130 Ų | 130 | 129 Ų | 129 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | | | trans | -63.7 | 136.6 | -179.6 | 42.3 | 0 | 0 | 0 | 0 | 112 | I84 | T82-I84 PolarHBondContact O-N 3.3Š|
| 83 | C | 40.7 | Very low | 49.1 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | | | trans | -68.7 | 99 | -177.7 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | N85 | C83-N85 PolarHBondContact O-N 3.06Å; C83-N85 PolarHBondContact O-ND2 2.73Å |
| 84 | I | 46.6 | Very low | 48.1 | Very low | 162 Ų | 162 | 126.1 Ų | 126.1 | 83% | 0.831 | 75% | 0.75 | S | S | * | * | | | trans | -73.4 | 96.7 | 173.1 | -38.5 | 179.1 | 0 | 0 | 0 | 107.8 | T82 D86 | T82-I84 PolarHBondContact O-N 3.3Å; I84-D86 PolarHBondContact O-N 3.03Å |
| 85 | N | 47.2 | Very low | 47.5 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 62% | 0.615 | 76% | 0.762 | S | S | * | * | | | trans | -70.9 | 100 | -179.8 | -82.3 | -106.8 | 0 | 0 | 0 | 109.8 | C83 | C83-N85 PolarHBondContact O-N 3.06Å; C83-N85 PolarHBondContact O-ND2 2.73Å |
| 86 | D | 51.4 | Low | 47 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 60% | 0.604 | 76% | 0.756 | S | S | * | * | | | trans | -56.9 | 141.8 | 173.6 | -171.3 | 5.1 | 0 | 0 | 0 | 110.8 | I84 A88 | I84-D86 PolarHBondContact O-N 3.03Å; D86-A88 WeakPolarHBondContact OD1-CB 3.21Å; D86-A88 PolarHBondContact OD1-N 3.16Å |
| 87 | K | 53.8 | Low | 46.6 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 68% | 0.683 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -106.6 | 3.7 | 179.4 | -62.7 | -59.4 | -179.4 | -173.9 | 0 | 113 | | |
| 88 | A | 57.2 | Low | 46.6 | Very low | 84 Ų | 84 | 128.5 Ų | 128.5 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -20 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D86 | D86-A88 WeakPolarHBondContact OD1-CB 3.21Å; D86-A88 PolarHBondContact OD1-N 3.16Å |
| 89 | T | 53 | Low | 46.7 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 12.4 | -168.9 | 51.7 | 0 | 0 | 0 | 0 | 115.4 | T91 | T89-T91 PolarHBondContact O-N 2.97Š|
| 90 | Q | 43.2 | Very low | 46.4 | Very low | 155 Ų | 155 | 133 Ų | 133 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | | | trans | -93.3 | 96.3 | 177 | -167 | 168.3 | 11.8 | 0 | 0 | 112.1 | | |
| 91 | T | 46.8 | Very low | 46.4 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | | | trans | -57.4 | 126.7 | 171.4 | -54.2 | 0 | 0 | 0 | 0 | 110.8 | T89 C93 | T89-T91 PolarHBondContact O-N 2.97Å; T91-C93 PolarHBondContact O-N 3.25Å |
| 92 | P | 46.4 | Very low | 46.7 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | | | trans | -77.6 | 86.4 | -176 | 30 | -35 | 0 | 0 | 0 | 112.4 | S94 | P92-S94 VanDerWaalsContact C-N 3.34Å; P92-S94 PolarHBondContact O-N 3.18Å; P92-S94 VanDerWaalsContact O-N 3.11Å |
| 93 | C | 44.8 | Very low | 47.4 | Very low | 116 Ų | 116 | 146 Ų | 146 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | | | trans | -83.6 | 58.2 | -178.5 | -64.3 | 0 | 0 | 0 | 0 | 114.4 | T91 | T91-C93 PolarHBondContact O-N 3.25Š|
| 94 | S | 44.2 | Very low | 47.7 | Very low | 90 Ų | 90 | 146.3 Ų | 146.3 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | | | trans | -164.2 | 103.3 | 161.1 | 49.8 | 0 | 0 | 0 | 0 | 114.1 | P92 | P92-S94 VanDerWaalsContact C-N 3.34Å; P92-S94 PolarHBondContact O-N 3.18Å; P92-S94 VanDerWaalsContact O-N 3.11Å |
| 95 | W | 49.4 | Very low | 48.1 | Very low | 266 Ų | 266 | 146 Ų | 146 | 100% | 1.008 | 77% | 0.768 | S | S | * | * | | | trans | -89.9 | 100.7 | 151.1 | -77.5 | 85.7 | 0 | 0 | 0 | 107.9 | | |
| 96 | T | 39.5 | Very low | 48.5 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | | | trans | -120.8 | 123.6 | 173.3 | 48.2 | 0 | 0 | 0 | 0 | 110.2 | E98 | T96-E98 PolarHBondContact O-N 3.43Š|
| 97 | E | 46.6 | Very low | 48.5 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | trans | -80.9 | 95.4 | -168.1 | -171.6 | -171.6 | 150.4 | 0 | 0 | 112.7 | T99 | E97-T99 VanDerWaalsContact C-N 3.35Å; E97-T99 WeakPolarHBondContact CG-OG1 3.25Å; E97-T99 PolarHBondContact O-N 3.38Å; E97-T99 PolarHBondContact OE1-OG1 3.08Å |
| 98 | E | 44.5 | Very low | 48.1 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | | | trans | -78.3 | 79.2 | 172.9 | -178.6 | 78.6 | -117.2 | 0 | 0 | 111 | T96 R100 | T96-E98 PolarHBondContact O-N 3.43Å; E98-R100 VanDerWaalsContact C-N 3.32Å; E98-R100 PolarHBondContact O-N 2.87Å |
| 99 | T | 46 | Very low | 48.5 | Very low | 112 Ų | 112 | 147.5 Ų | 147.5 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | | | trans | -79.5 | 75.8 | 176.3 | -70.7 | 0 | 0 | 0 | 0 | 111.3 | E97 | E97-T99 VanDerWaalsContact C-N 3.35Å; E97-T99 WeakPolarHBondContact CG-OG1 3.25Å; E97-T99 PolarHBondContact O-N 3.38Å; E97-T99 PolarHBondContact OE1-OG1 3.08Å |
| 100 | R | 40.6 | Very low | 48.7 | Very low | 219 Ų | 219 | 152.2 Ų | 152.2 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | | | trans | -139.6 | 100.4 | 170.9 | -150.2 | 173.6 | -166.3 | -165.9 | 4.7 | 114.4 | E98 | E98-R100 VanDerWaalsContact C-N 3.32Å; E98-R100 PolarHBondContact O-N 2.87Å |
| 101 | G | 49.1 | Very low | 49.1 | Very low | 77 Ų | 77 | 148.7 Ų | 148.7 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | -73.4 | 136.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 102 | R | 46.5 | Very low | 49.7 | Very low | 244 Ų | 244 | 148.1 Ų | 148.1 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | | | trans | -120.9 | 139.6 | 147.8 | -73.7 | -166.2 | -176.9 | -86.8 | 4 | 109.6 | S104 | R102-S104 PolarHBondContact O-N 3.33Š|
| 103 | R | 58.1 | Low | 50.3 | Low | 250 Ų | 250 | 147.1 Ų | 147.1 | 94% | 0.943 | 79% | 0.788 | S | S | * | * | | | trans | -66.3 | 117.5 | 173.2 | -64.2 | 173.5 | -71.9 | -103.9 | 3.3 | 108.5 | | |
| 104 | S | 46.2 | Very low | 50.7 | Low | 115 Ų | 115 | 149.6 Ų | 149.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -114.5 | 120.7 | 170.1 | -166.9 | 0 | 0 | 0 | 0 | 109.5 | R102 G106 | R102-S104 PolarHBondContact O-N 3.33Å; S104-G106 PolarHBondContact O-N 3.46Å |
| 105 | V | 56.5 | Low | 51.6 | Low | 157 Ų | 157 | 146.7 Ų | 146.7 | 95% | 0.952 | 77% | 0.765 | S | S | * | * | | | trans | -89.2 | 95.1 | 179.5 | 177.2 | 0 | 0 | 0 | 0 | 108 | | |
| 106 | G | 54.2 | Low | 52.4 | Low | 60 Ų | 60 | 137.7 Ų | 137.7 | 62% | 0.619 | 74% | 0.743 | S | S | * | * | | | trans | -168.5 | 107 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S104 H108 | S104-G106 PolarHBondContact O-N 3.46Å; G106-H108 PolarHBondContact O-N 3.03Å |
| 107 | G | 52.4 | Low | 54 | Low | 79 Ų | 79 | 134.9 Ų | 134.9 | 81% | 0.814 | 73% | 0.732 | S | S | * | * | | | trans | -76.2 | 74.3 | -169 | 0 | 0 | 0 | 0 | 0 | 114.9 | K109 | G107-K109 PolarHBondContact O-N 2.81Å; G107-K109 VanDerWaalsContact O-N 3.09Å |
| 108 | H | 45.5 | Very low | 55.5 | Low | 158 Ų | 158 | 132.1 Ų | 132.1 | 73% | 0.731 | 72% | 0.719 | S | S | * | * | | | trans | -70.9 | 101.1 | 174.3 | -176.8 | 74.3 | 0 | 0 | 0 | 111.8 | G106 R110 S111 | G106-H108 PolarHBondContact O-N 3.03Å; H108-R110 VanDerWaalsContact C-N 3.26Å; H108-R110 PolarHBondContact NE2-O 3.33Å; H108-R110 PolarHBondContact O-N 2.94Å; H108-S111 PolarHBondContact CD2-OG 3.31Å; H108-S111 PolarHBondContact NE2-N 3.2Å; H108-S111 PolarHBondContact NE2-OG 2.95Å |
| 109 | K | 64 | Low | 57.4 | Low | 202 Ų | 202 | 129.3 Ų | 129.3 | 88% | 0.878 | 71% | 0.706 | S | S | * | * | | | trans | -78.2 | 8.9 | -172.9 | -81.5 | -74 | -176.9 | 180 | 0 | 116 | G107 | G107-K109 PolarHBondContact O-N 2.81Å; G107-K109 VanDerWaalsContact O-N 3.09Å |
| 110 | R | 57.5 | Low | 59.4 | Low | 219 Ų | 219 | 129.2 Ų | 129.2 | 83% | 0.826 | 70% | 0.701 | S | S | * | * | | | trans | -139.3 | 55.1 | -177.2 | -66.6 | -170.9 | -179.3 | -85.7 | 0.4 | 113.8 | H108 | H108-R110 VanDerWaalsContact C-N 3.26Å; H108-R110 PolarHBondContact NE2-O 3.33Å; H108-R110 PolarHBondContact O-N 2.94Å |
| 111 | S | 53 | Low | 61.7 | Low | 81 Ų | 81 | 125 Ų | 125 | 57% | 0.566 | 69% | 0.688 | S | S | * | * | | | trans | -136.8 | 101.3 | 161.7 | -68.7 | 0 | 0 | 0 | 0 | 109.9 | H108 S113 | H108-S111 PolarHBondContact CD2-OG 3.31Å; H108-S111 PolarHBondContact NE2-N 3.2Å; H108-S111 PolarHBondContact NE2-OG 2.95Å; S111-S113 PolarHBondContact O-N 3.48Å |
| 112 | A | 57.7 | Low | 63.6 | Low | 97 Ų | 97 | 125.6 Ų | 125.6 | 80% | 0.802 | 67% | 0.67 | S | S | * | * | | | trans | -80.9 | 48.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | W114 | A112-W114 PolarHBondContact O-N 3.03Š|
| 113 | S | 60.6 | Low | 65.6 | Low | 99 Ų | 99 | 116 Ų | 116 | 69% | 0.692 | 64% | 0.639 | S | S | * | * | | | trans | -81.6 | 97.4 | 171.6 | -172 | 0 | 0 | 0 | 0 | 107.1 | S111 G115 | S111-S113 PolarHBondContact O-N 3.48Å; S113-G115 PolarHBondContact O-N 2.94Å; S113-G115 VanDerWaalsContact O-N 3.11Å |
| 114 | W | 52.1 | Low | 67.2 | Low | 168 Ų | 168 | 106.8 Ų | 106.8 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | | | trans | -59.9 | 112.2 | 173.7 | -67.5 | 87.6 | 0 | 0 | 0 | 108.7 | A112 E118 E122 | A112-W114 PolarHBondContact O-N 3.03Å; W114-E118 HydrophobicContact CE3-CB 4.49Å; W114-E122 VanDerWaalsContact CZ3-CD 3.45Å; W114-E122 HydrophobicContact CZ3-CG 4.42Å; W114-E122 WeakPolarHBondContact CZ3-OE1 3.38Å; W114-E122 WeakPolarHBondContact CZ3-OE2 3.45Å |
| 115 | G | 63.2 | Low | 69.5 | Low | 29 Ų | 29 | 108.2 Ų | 108.2 | 30% | 0.299 | 61% | 0.608 | S | S | . | * | | | trans | -64.2 | 146.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | S113 A117 E118 H119 | S113-G115 PolarHBondContact O-N 2.94Å; S113-G115 VanDerWaalsContact O-N 3.11Å; G115-A117 PolarHBondContact O-N 3.31Å; G115-A117 VanDerWaalsContact O-N 3.11Å; G115-E118 PolarHBondContact N-OE2 2.99Å; G115-E118 WeakPolarHBondContact O-CA 3.31Å; G115-E118 WeakPolarHBondContact O-CB 3.41Å; G115-E118 PolarHBondContact O-N 2.81Å; G115-H119 PolarHBondContact O-N 3.39Å |
| 116 | S | 67.3 | Low | 71.3 | Confident | 77 Ų | 77 | 105.8 Ų | 105.8 | 54% | 0.538 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -50.6 | -39.2 | 174.6 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | E118 H119 L120 | S116-E118 VanDerWaalsContact C-N 3.26Å; S116-E118 PolarHBondContact O-N 3.03Å; S116-H119 PolarHBondContact O-N 2.78Å; S116-L120 WeakPolarHBondContact O-CB 3.41Å; S116-L120 VanDerWaalsContact O-CG 3.31Å; S116-L120 WeakPolarHBondContact O-CG 3.16Å; S116-L120 PolarHBondContact O-N 2.92Å |
| 117 | A | 72.6 | Confident | 73.1 | Confident | 63 Ų | 63 | 111 Ų | 111 | 52% | 0.521 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69.9 | -10.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | G115 K121 | G115-A117 PolarHBondContact O-N 3.31Å; G115-A117 VanDerWaalsContact O-N 3.11Å; A117-K121 WeakPolarHBondContact O-CD 3.44Å; A117-K121 WeakPolarHBondContact O-CE 3.38Å; A117-K121 WeakPolarHBondContact O-CG 3.38Å; A117-K121 PolarHBondContact O-NZ 3.23Å; A117-K121 VanDerWaalsContact O-NZ 3.17Å |
| 118 | E | 77.4 | Confident | 75 | Confident | 102 Ų | 102 | 113 Ų | 113 | 48% | 0.477 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -96.3 | -47.5 | 171.9 | -69.5 | 155.6 | 169.2 | 0 | 0 | 109.5 | W114 G115 S116 L120 K121 E122 | W114-E118 HydrophobicContact CE3-CB 4.49Å; G115-E118 PolarHBondContact N-OE2 2.99Å; G115-E118 WeakPolarHBondContact O-CA 3.31Å; G115-E118 WeakPolarHBondContact O-CB 3.41Å; G115-E118 PolarHBondContact O-N 2.81Å; S116-E118 VanDerWaalsContact C-N 3.26Å; S116-E118 PolarHBondContact O-N 3.03Å; E118-L120 VanDerWaalsContact C-N 3.32Å; E118-L120 PolarHBondContact O-N 3.48Å; E118-K121 WeakPolarHBondContact O-CA 3.3Å; E118-K121 WeakPolarHBondContact O-CB 3.42Å; E118-K121 PolarHBondContact O-N 3.32Å; E118-E122 PolarHBondContact O-N 3.05Å |
| 119 | H | 85.3 | Confident | 77.2 | Confident | 108 Ų | 108 | 110.6 Ų | 110.6 | 50% | 0.5 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -53.3 | -46.5 | 174 | -179.6 | 67.5 | 0 | 0 | 0 | 112.3 | G115 S116 K121 E122 V123 | G115-H119 PolarHBondContact O-N 3.39Å; S116-H119 PolarHBondContact O-N 2.78Å; H119-K121 VanDerWaalsContact C-N 3.27Å; H119-K121 PolarHBondContact O-N 2.79Å; H119-E122 PolarHBondContact O-N 3.47Å; H119-E122 VanDerWaalsContact O-N 3.11Å; H119-V123 WeakPolarHBondContact O-CG2 3.34Å; H119-V123 PolarHBondContact O-N 2.86Å |
| 120 | L | 86.8 | Confident | 78.3 | Confident | 110 Ų | 110 | 105.7 Ų | 105.7 | 58% | 0.576 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60.2 | -33.3 | 176.1 | -72.2 | 171 | 0 | 0 | 0 | 113.2 | S116 E118 A124 | S116-L120 WeakPolarHBondContact O-CB 3.41Å; S116-L120 VanDerWaalsContact O-CG 3.31Å; S116-L120 WeakPolarHBondContact O-CG 3.16Å; S116-L120 PolarHBondContact O-N 2.92Å; E118-L120 VanDerWaalsContact C-N 3.32Å; E118-L120 PolarHBondContact O-N 3.48Å; L120-A124 WeakPolarHBondContact O-CB 3.15Å; L120-A124 PolarHBondContact O-N 2.95Å |
| 121 | K | 89.8 | Confident | 79.5 | Confident | 129 Ų | 129 | 101.6 Ų | 101.6 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -73.6 | -34.4 | 176 | -66.6 | 168.2 | -171.4 | 151.5 | 0 | 111.6 | A117 E118 H119 K125 | A117-K121 WeakPolarHBondContact O-CD 3.44Å; A117-K121 WeakPolarHBondContact O-CE 3.38Å; A117-K121 WeakPolarHBondContact O-CG 3.38Å; A117-K121 PolarHBondContact O-NZ 3.23Å; A117-K121 VanDerWaalsContact O-NZ 3.17Å; E118-K121 WeakPolarHBondContact O-CA 3.3Å; E118-K121 WeakPolarHBondContact O-CB 3.42Å; E118-K121 PolarHBondContact O-N 3.32Å; H119-K121 VanDerWaalsContact C-N 3.27Å; H119-K121 PolarHBondContact O-N 2.79Å; K121-K125 WeakPolarHBondContact O-CG 3.26Å; K121-K125 PolarHBondContact O-N 2.97Å |
| 122 | E | 88.2 | Confident | 80.7 | Confident | 90 Ų | 90 | 104.7 Ų | 104.7 | 42% | 0.421 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71 | -41.9 | 173.9 | -62.4 | -150.8 | 135.1 | 0 | 0 | 112 | W114 E118 H119 A124 K125 L126 | W114-E122 VanDerWaalsContact CZ3-CD 3.45Å; W114-E122 HydrophobicContact CZ3-CG 4.42Å; W114-E122 WeakPolarHBondContact CZ3-OE1 3.38Å; W114-E122 WeakPolarHBondContact CZ3-OE2 3.45Å; E118-E122 PolarHBondContact O-N 3.05Å; H119-E122 PolarHBondContact O-N 3.47Å; H119-E122 VanDerWaalsContact O-N 3.11Å; E122-A124 VanDerWaalsContact C-N 3.3Å; E122-A124 PolarHBondContact O-N 3.42Å; E122-K125 PolarHBondContact O-N 3.28Å; E122-L126 WeakPolarHBondContact O-CB 3.39Å; E122-L126 PolarHBondContact O-N 2.93Å |
| 123 | V | 89.8 | Confident | 81.2 | Confident | 43 Ų | 43 | 108.6 Ų | 108.6 | 26% | 0.261 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 171.9 | 172.2 | 0 | 0 | 0 | 0 | 111 | H119 L126 R127 | H119-V123 WeakPolarHBondContact O-CG2 3.34Å; H119-V123 PolarHBondContact O-N 2.86Å; V123-L126 PolarHBondContact O-N 3.38Å; V123-R127 WeakPolarHBondContact O-CB 3.31Å; V123-R127 VanDerWaalsContact O-CG 3.32Å; V123-R127 WeakPolarHBondContact O-CG 3.33Å; V123-R127 PolarHBondContact O-N 3.08Å |
| 124 | A | 92.3 | Very high | 81.4 | Confident | 56 Ų | 56 | 107.7 Ų | 107.7 | 46% | 0.463 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L120 E122 R127 H128 | L120-A124 WeakPolarHBondContact O-CB 3.15Å; L120-A124 PolarHBondContact O-N 2.95Å; E122-A124 VanDerWaalsContact C-N 3.3Å; E122-A124 PolarHBondContact O-N 3.42Å; A124-R127 PolarHBondContact O-N 3.04Å; A124-H128 WeakPolarHBondContact O-CB 3.5Å; A124-H128 PolarHBondContact O-N 3.06Å |
| 125 | K | 93.7 | Very high | 81.8 | Confident | 146 Ų | 146 | 110.6 Ų | 110.6 | 64% | 0.635 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.9 | -43.1 | 174.5 | -76.5 | 173 | 179.3 | 178.3 | 0 | 112.2 | K121 E122 H128 H129 | K121-K125 WeakPolarHBondContact O-CG 3.26Å; K121-K125 PolarHBondContact O-N 2.97Å; E122-K125 PolarHBondContact O-N 3.28Å; K125-H128 PolarHBondContact O-N 3.01Å; K125-H129 WeakPolarHBondContact O-CB 3.11Å; K125-H129 PolarHBondContact O-N 3.34Å |
| 126 | L | 93.6 | Very high | 81.3 | Confident | 105 Ų | 105 | 115.7 Ų | 115.7 | 55% | 0.55 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65 | -46.2 | 179 | 179.5 | 60.2 | 0 | 0 | 0 | 110.9 | E122 V123 H128 H129 L130 | E122-L126 WeakPolarHBondContact O-CB 3.39Å; E122-L126 PolarHBondContact O-N 2.93Å; V123-L126 PolarHBondContact O-N 3.38Å; L126-H128 VanDerWaalsContact C-N 3.34Å; L126-H128 PolarHBondContact O-N 3.29Å; L126-H129 PolarHBondContact O-N 3.31Å; L126-L130 HydrophobicContact CD1-CD1 4.07Å; L126-L130 HydrophobicContact CD1-CG 4.16Å; L126-L130 HydrophobicContact CG-CD1 3.99Å; L126-L130 HydrophobicContact CG-CG 4.49Å; L126-L130 WeakPolarHBondContact O-CB 3.41Å; L126-L130 VanDerWaalsContact O-CG 3.31Å; L126-L130 WeakPolarHBondContact O-CG 3.46Å; L126-L130 PolarHBondContact O-N 3.29Å |
| 127 | R | 91.6 | Very high | 80.6 | Confident | 170 Ų | 170 | 115 Ų | 115 | 64% | 0.642 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -57.5 | -45.4 | 173.1 | -75.8 | 176.8 | 177.6 | -172.2 | -0 | 111.7 | V123 A124 L130 Q131 | V123-R127 WeakPolarHBondContact O-CB 3.31Å; V123-R127 VanDerWaalsContact O-CG 3.32Å; V123-R127 WeakPolarHBondContact O-CG 3.33Å; V123-R127 PolarHBondContact O-N 3.08Å; A124-R127 PolarHBondContact O-N 3.04Å; R127-L130 PolarHBondContact O-N 2.92Å; R127-Q131 WeakPolarHBondContact O-CB 3.1Å; R127-Q131 VanDerWaalsContact O-CG 3.29Å; R127-Q131 WeakPolarHBondContact O-CG 3.41Å; R127-Q131 PolarHBondContact O-N 3.26Å |
| 128 | H | 92.8 | Very high | 79.7 | Confident | 120 Ų | 120 | 117.2 Ų | 117.2 | 56% | 0.556 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.4 | -40.2 | 177 | -175.5 | 72.7 | 0 | 0 | 0 | 112.7 | A124 K125 L126 Q131 K132 | A124-H128 WeakPolarHBondContact O-CB 3.5Å; A124-H128 PolarHBondContact O-N 3.06Å; K125-H128 PolarHBondContact O-N 3.01Å; L126-H128 VanDerWaalsContact C-N 3.34Å; L126-H128 PolarHBondContact O-N 3.29Å; H128-Q131 PolarHBondContact O-N 2.87Å; H128-K132 VanDerWaalsContact O-CB 3.27Å; H128-K132 WeakPolarHBondContact O-CB 3.36Å; H128-K132 PolarHBondContact O-N 3.1Å |
| 129 | H | 91.3 | Very high | 78.5 | Confident | 108 Ų | 108 | 118.3 Ų | 118.3 | 50% | 0.5 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.3 | -45.2 | 175 | -176.6 | 97.6 | 0 | 0 | 0 | 111.6 | K125 L126 K132 R133 | K125-H129 WeakPolarHBondContact O-CB 3.11Å; K125-H129 PolarHBondContact O-N 3.34Å; L126-H129 PolarHBondContact O-N 3.31Å; H129-K132 PolarHBondContact O-N 2.84Å; H129-R133 WeakPolarHBondContact O-CB 3.32Å; H129-R133 PolarHBondContact O-N 3.01Å |
| 130 | L | 88.1 | Confident | 76.8 | Confident | 100 Ų | 100 | 119 Ų | 119 | 52% | 0.524 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.5 | -41.3 | 177.3 | -71.1 | 171.5 | 0 | 0 | 0 | 111.8 | L126 R127 R133 S134 | L126-L130 HydrophobicContact CD1-CD1 4.07Å; L126-L130 HydrophobicContact CD1-CG 4.16Å; L126-L130 HydrophobicContact CG-CD1 3.99Å; L126-L130 HydrophobicContact CG-CG 4.49Å; L126-L130 WeakPolarHBondContact O-CB 3.41Å; L126-L130 VanDerWaalsContact O-CG 3.31Å; L126-L130 WeakPolarHBondContact O-CG 3.46Å; L126-L130 PolarHBondContact O-N 3.29Å; R127-L130 PolarHBondContact O-N 2.92Å; L130-R133 PolarHBondContact O-N 3.22Å; L130-S134 WeakPolarHBondContact O-CA 3.42Å; L130-S134 WeakPolarHBondContact O-CB 3.29Å; L130-S134 PolarHBondContact O-N 2.79Å |
| 131 | Q | 83.4 | Confident | 74.7 | Confident | 132 Ų | 132 | 118 Ų | 118 | 62% | 0.617 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.7 | -44.1 | 173 | -75.1 | 172.2 | -20.6 | 0 | 0 | 112 | R127 H128 R133 S134 R135 | R127-Q131 WeakPolarHBondContact O-CB 3.1Å; R127-Q131 VanDerWaalsContact O-CG 3.29Å; R127-Q131 WeakPolarHBondContact O-CG 3.41Å; R127-Q131 PolarHBondContact O-N 3.26Å; H128-Q131 PolarHBondContact O-N 2.87Å; Q131-R133 VanDerWaalsContact C-N 3.34Å; Q131-R133 PolarHBondContact O-N 2.85Å; Q131-S134 PolarHBondContact O-N 3.47Å; Q131-R135 PolarHBondContact O-N 2.84Å; Q131-R135 VanDerWaalsContact O-N 3.09Å |
| 132 | K | 78.2 | Confident | 72.3 | Confident | 146 Ų | 146 | 115.1 Ų | 115.1 | 64% | 0.635 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.9 | -39.7 | 177.2 | -173.6 | 171.7 | -179.7 | 176 | 0 | 111.9 | H128 H129 N136 | H128-K132 VanDerWaalsContact O-CB 3.27Å; H128-K132 WeakPolarHBondContact O-CB 3.36Å; H128-K132 PolarHBondContact O-N 3.1Å; H129-K132 PolarHBondContact O-N 2.84Å; K132-N136 PolarHBondContact O-OD1 2.84Å |
| 133 | R | 67.9 | Low | 70.2 | Confident | 179 Ų | 179 | 121.6 Ų | 121.6 | 68% | 0.675 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -76.2 | -31 | 175.7 | -172.1 | 172.3 | 177.2 | 170 | -2.5 | 112.9 | H129 L130 Q131 R135 N136 A137 | H129-R133 WeakPolarHBondContact O-CB 3.32Å; H129-R133 PolarHBondContact O-N 3.01Å; L130-R133 PolarHBondContact O-N 3.22Å; Q131-R133 VanDerWaalsContact C-N 3.34Å; Q131-R133 PolarHBondContact O-N 2.85Å; R133-R135 VanDerWaalsContact C-N 3.3Å; R133-R135 PolarHBondContact O-N 3.47Å; R133-N136 WeakPolarHBondContact O-CA 3.35Å; R133-N136 WeakPolarHBondContact O-CB 3.33Å; R133-N136 PolarHBondContact O-N 3.03Å; R133-A137 PolarHBondContact O-N 2.97Å |
| 134 | S | 63.8 | Low | 68 | Low | 81 Ų | 81 | 128.6 Ų | 128.6 | 57% | 0.566 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -64.3 | -34 | 173.6 | 168.6 | 0 | 0 | 0 | 0 | 111.8 | L130 Q131 N136 A137 | L130-S134 WeakPolarHBondContact O-CA 3.42Å; L130-S134 WeakPolarHBondContact O-CB 3.29Å; L130-S134 PolarHBondContact O-N 2.79Å; Q131-S134 PolarHBondContact O-N 3.47Å; S134-N136 PolarHBondContact O-N 3.17Å; S134-N136 VanDerWaalsContact O-N 3.12Å; S134-A137 WeakPolarHBondContact O-CB 3.41Å; S134-A137 PolarHBondContact O-N 2.94Å |
| 135 | R | 60.2 | Low | 65.5 | Low | 229 Ų | 229 | 133.2 Ų | 133.2 | 86% | 0.864 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -5.5 | 170.7 | -152.5 | -176.6 | -179 | -158.2 | -1.1 | 114 | Q131 R133 | Q131-R135 PolarHBondContact O-N 2.84Å; Q131-R135 VanDerWaalsContact O-N 3.09Å; R133-R135 VanDerWaalsContact C-N 3.3Å; R133-R135 PolarHBondContact O-N 3.47Å |
| 136 | N | 54 | Low | 62.9 | Low | 136 Ų | 136 | 132 Ų | 132 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | 5.8 | 171.2 | -73 | 94.9 | 0 | 0 | 0 | 113 | K132 R133 S134 | K132-N136 PolarHBondContact O-OD1 2.84Å; R133-N136 WeakPolarHBondContact O-CA 3.35Å; R133-N136 WeakPolarHBondContact O-CB 3.33Å; R133-N136 PolarHBondContact O-N 3.03Å; S134-N136 PolarHBondContact O-N 3.17Å; S134-N136 VanDerWaalsContact O-N 3.12Å |
| 137 | A | 51.9 | Low | 60.4 | Low | 62 Ų | 62 | 135.3 Ų | 135.3 | 51% | 0.512 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -69.9 | 138.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | R133 S134 | R133-A137 PolarHBondContact O-N 2.97Å; S134-A137 WeakPolarHBondContact O-CB 3.41Å; S134-A137 PolarHBondContact O-N 2.94Å |
| 138 | P | 54.6 | Low | 57.6 | Low | 110 Ų | 110 | 130.8 Ų | 130.8 | 71% | 0.714 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 148.3 | 168.7 | 28.3 | -34 | 0 | 0 | 0 | 109.2 | S140 | P138-S140 PolarHBondContact O-N 3.1Å; P138-S140 VanDerWaalsContact O-N 3.17Å |
| 139 | P | 51.8 | Low | 54.7 | Low | 124 Ų | 124 | 129.9 Ų | 129.9 | 81% | 0.805 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 124.6 | 174.2 | 25.7 | -33.1 | 0 | 0 | 0 | 108.8 | A141 | P139-A141 PolarHBondContact O-N 3.02Å; P139-A141 VanDerWaalsContact O-N 3.07Å |
| 140 | S | 48.8 | Very low | 52.3 | Low | 122 Ų | 122 | 132.6 Ų | 132.6 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 116.9 | 171.2 | -173.3 | 0 | 0 | 0 | 0 | 107.6 | P138 G142 | P138-S140 PolarHBondContact O-N 3.1Å; P138-S140 VanDerWaalsContact O-N 3.17Å; S140-G142 PolarHBondContact O-N 2.96Å; S140-G142 VanDerWaalsContact O-N 3.13Å |
| 141 | A | 43.7 | Very low | 50.4 | Low | 90 Ų | 90 | 133.5 Ų | 133.5 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 120.5 | -176 | 0 | 0 | 0 | 0 | 0 | 109.3 | P139 Y143 | P139-A141 PolarHBondContact O-N 3.02Å; P139-A141 VanDerWaalsContact O-N 3.07Å; A141-Y143 PolarHBondContact O-N 3.09Å |
| 142 | G | 38.3 | Very low | 48.2 | Very low | 69 Ų | 69 | 132.2 Ų | 132.2 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 131.2 | 177 | 0 | 0 | 0 | 0 | 0 | 110 | S140 E144 | S140-G142 PolarHBondContact O-N 2.96Å; S140-G142 VanDerWaalsContact O-N 3.13Å; G142-E144 PolarHBondContact O-N 3.03Å |
| 143 | Y | 44.6 | Very low | 46.1 | Very low | 226 Ų | 226 | 128.9 Ų | 128.9 | 89% | 0.886 | 77% | 0.765 | S | S | * | * | | | trans | -80 | 69.2 | 171.3 | 56 | -83.6 | 0 | 0 | 0 | 109.8 | A141 | A141-Y143 PolarHBondContact O-N 3.09Š|
| 144 | E | 43.4 | Very low | 44.6 | Very low | 189 Ų | 189 | 129.7 Ų | 129.7 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | trans | -99.5 | 114.7 | 162.2 | -82.8 | -82.9 | 109.6 | 0 | 0 | 107.7 | G142 | G142-E144 PolarHBondContact O-N 3.03Š|
| 145 | L | 40.9 | Very low | 43.2 | Very low | 154 Ų | 154 | 130.4 Ų | 130.4 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | | | trans | -81.8 | 151.9 | -176.9 | -173.9 | 69.9 | 0 | 0 | 0 | 110.1 | | |
| 146 | L | 39.1 | Very low | 42 | Very low | 120 Ų | 120 | 124.6 Ų | 124.6 | 63% | 0.628 | 79% | 0.789 | S | S | * | * | | | trans | 122.8 | 129.6 | 132.1 | -149.3 | 70.2 | 0 | 0 | 0 | 117.3 | | |
| 147 | H | 39.4 | Very low | 41 | Very low | 175 Ų | 175 | 121.7 Ų | 121.7 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | | | trans | 61.1 | 125.1 | 164.5 | -58.8 | -37.1 | 0 | 0 | 0 | 121.6 | | |
| 148 | G | 33.5 | Very low | 40.2 | Very low | 74 Ų | 74 | 125.1 Ų | 125.1 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | | | trans | 144.4 | 120.8 | 132.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 149 | A | 32.1 | Very low | 39.4 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | | | trans | 57.3 | 111.6 | 153 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 150 | L | 41.7 | Very low | 39.3 | Very low | 165 Ų | 165 | 128.9 Ų | 128.9 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | | | trans | -81.7 | 146.2 | 148.7 | -169.3 | 75 | 0 | 0 | 0 | 108.9 | | |
| 151 | P | 47 | Very low | 38.8 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | | | | -141 | 172.4 | 117.9 | 36.1 | -22.1 | 0 | 0 | 0 | 114.6 | | |
| 152 | A | 36.7 | Very low | 39.3 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | | | trans | -65.4 | 154.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 153 | G | 33.8 | Very low | 39.7 | Very low | 76 Ų | 76 | 133.1 Ų | 133.1 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | | | trans | -148.2 | 148.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 154 | Q | 37.9 | Very low | 39.7 | Very low | 196 Ų | 196 | 130.2 Ų | 130.2 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | | | trans | -109.7 | 167.7 | -163.5 | -63.7 | 167.9 | -74.3 | 0 | 0 | 114.6 | | |
| 155 | A | 33.9 | Very low | 40.1 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | | | trans | 99 | 107.1 | 145 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 156 | A | 34.8 | Very low | 40.4 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | | | | 56.9 | 101.5 | 125.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 157 | G | 32.8 | Very low | 40.9 | Very low | 76 Ų | 76 | 129 Ų | 129 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | | | | 113.8 | 176.7 | 104.3 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 158 | V | 36.1 | Very low | 41.2 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | | | trans | 76.1 | 90.9 | 162.3 | -167.8 | 0 | 0 | 0 | 0 | 118.4 | | |
| 159 | T | 37.8 | Very low | 42.2 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | | | trans | 84.9 | 138 | 132.9 | -56.1 | 0 | 0 | 0 | 0 | 120.9 | | |
| 160 | Q | 48.1 | Very low | 42.8 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | | | trans | -69.1 | 142.2 | 175.5 | -55.3 | 164.7 | -5 | 0 | 0 | 112.6 | | |
| 161 | T | 40.1 | Very low | 43.2 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | -148.5 | 138.8 | 133.5 | 39.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 162 | V | 54.3 | Low | 43.1 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 74% | 0.739 | 80% | 0.803 | S | S | * | * | | | trans | -113.3 | 111.1 | 171.2 | 176.3 | 0 | 0 | 0 | 0 | 108 | M164 | V162-M164 HydrophobicContact CG1-CE 4.43Å; V162-M164 PolarHBondContact O-N 3.45Å |
| 163 | P | 44.9 | Very low | 43.8 | Very low | 117 Ų | 117 | 139 Ų | 139 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69 | 117.9 | 172.5 | -18.7 | 32.7 | 0 | 0 | 0 | 110.5 | | |
| 164 | M | 44.5 | Very low | 44.8 | Very low | 164 Ų | 164 | 144 Ų | 144 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 133.3 | 176.2 | -69.6 | -89.9 | 87.7 | 0 | 0 | 111.2 | V162 | V162-M164 HydrophobicContact CG1-CE 4.43Å; V162-M164 PolarHBondContact O-N 3.45Å |
| 165 | M | 52.2 | Low | 45.5 | Very low | 167 Ų | 167 | 145 Ų | 145 | 82% | 0.823 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 124.4 | 173.9 | -65.7 | 164.1 | 68.4 | 0 | 0 | 110.4 | L167 | M165-L167 PolarHBondContact O-N 2.93Š|
| 166 | P | 46.8 | Very low | 46.4 | Very low | 104 Ų | 104 | 152.4 Ų | 152.4 | 68% | 0.675 | 81% | 0.812 | S | S | * | * | | | trans | -80.2 | 111.8 | 179.1 | 30.8 | -33.4 | 0 | 0 | 0 | 111.5 | N168 | P166-N168 VanDerWaalsContact C-N 3.28Å; P166-N168 PolarHBondContact O-N 3.17Å |
| 167 | L | 50.8 | Low | 47.4 | Very low | 167 Ų | 167 | 150.6 Ų | 150.6 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | -69.5 | 76.7 | 175.5 | -75.8 | 91.8 | 0 | 0 | 0 | 112.4 | M165 R169 | M165-L167 PolarHBondContact O-N 2.93Å; L167-R169 VanDerWaalsContact C-N 3.26Å; L167-R169 PolarHBondContact O-N 3.13Å |
| 168 | N | 46.1 | Very low | 48.6 | Very low | 121 Ų | 121 | 151.9 Ų | 151.9 | 65% | 0.647 | 79% | 0.785 | S | S | * | * | | | trans | -80 | 71.5 | 172.5 | -81.1 | -69.5 | 0 | 0 | 0 | 111.7 | P166 L170 | P166-N168 VanDerWaalsContact C-N 3.28Å; P166-N168 PolarHBondContact O-N 3.17Å; N168-L170 PolarHBondContact O-N 3.07Å |
| 169 | R | 54.1 | Low | 50 | Low | 248 Ų | 248 | 151.4 Ų | 151.4 | 94% | 0.936 | 77% | 0.774 | S | S | * | * | | | trans | -76.1 | 63.4 | 173.2 | -160.6 | -177.9 | -164.6 | 178.1 | 5.9 | 111.1 | L167 | L167-R169 VanDerWaalsContact C-N 3.26Å; L167-R169 PolarHBondContact O-N 3.13Å |
| 170 | L | 45.3 | Very low | 51.1 | Low | 140 Ų | 140 | 146.5 Ų | 146.5 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | | | trans | -109.9 | 125 | 179.9 | -70.9 | 172.2 | 0 | 0 | 0 | 110.5 | N168 | N168-L170 PolarHBondContact O-N 3.07Š|
| 171 | A | 48.3 | Very low | 51.7 | Low | 85 Ų | 85 | 142.7 Ų | 142.7 | 70% | 0.702 | 74% | 0.735 | S | S | * | * | | | trans | -59.9 | 136.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R173 | A171-R173 PolarHBondContact O-N 2.76Š|
| 172 | P | 46 | Very low | 53 | Low | 132 Ų | 132 | 138.9 Ų | 138.9 | 86% | 0.857 | 71% | 0.714 | S | S | * | * | | | trans | -59.7 | 103.6 | 175 | -24.2 | 34.7 | 0 | 0 | 0 | 111.5 | L174 | P172-L174 PolarHBondContact O-N 3.05Š|
| 173 | R | 51.9 | Low | 53.7 | Low | 224 Ų | 224 | 138.5 Ų | 138.5 | 85% | 0.845 | 71% | 0.707 | S | S | * | * | | | trans | -73.2 | 110.8 | 173.1 | -62.9 | -171.9 | -173 | -153.7 | 3.2 | 108.3 | A171 R175 | A171-R173 PolarHBondContact O-N 2.76Å; R173-R175 WeakPolarHBondContact O-CB 3.4Å; R173-R175 PolarHBondContact O-N 3.07Å |
| 174 | L | 53.4 | Low | 55 | Low | 181 Ų | 181 | 138.9 Ų | 138.9 | 95% | 0.948 | 70% | 0.699 | S | S | * | * | | | trans | -41.8 | 91.6 | -178 | -168.6 | 76.5 | 0 | 0 | 0 | 113.4 | P172 | P172-L174 PolarHBondContact O-N 3.05Š|
| 175 | R | 53.4 | Low | 56.3 | Low | 215 Ų | 215 | 135.5 Ų | 135.5 | 81% | 0.811 | 68% | 0.683 | S | S | * | * | | | trans | -148 | 68 | -174.9 | -76.6 | -161.3 | 167 | -158.6 | -3.2 | 113.5 | R173 S177 | R173-R175 WeakPolarHBondContact O-CB 3.4Å; R173-R175 PolarHBondContact O-N 3.07Å; R175-S177 VanDerWaalsContact C-N 3.29Å; R175-S177 PolarHBondContact O-N 3.01Å |
| 176 | R | 52.2 | Low | 57 | Low | 253 Ų | 253 | 132.8 Ų | 132.8 | 96% | 0.955 | 67% | 0.669 | S | S | * | * | | | trans | 47 | 40.2 | 151.5 | -61.3 | -178.4 | 173.9 | 155.6 | -2.7 | 116.3 | V178 | R176-V178 PolarHBondContact O-N 3.32Š|
| 177 | S | 56.3 | Low | 57.9 | Low | 69 Ų | 69 | 135.6 Ų | 135.6 | 48% | 0.483 | 67% | 0.673 | S | S | . | * | | | trans | -75.2 | 106.2 | 165 | 48.8 | 0 | 0 | 0 | 0 | 108.7 | R175 E179 G180 | R175-S177 VanDerWaalsContact C-N 3.29Å; R175-S177 PolarHBondContact O-N 3.01Å; S177-E179 VanDerWaalsContact C-OE2 3.23Å; S177-E179 WeakPolarHBondContact CA-OE2 3.43Å; S177-E179 WeakPolarHBondContact CB-OE2 3.27Å; S177-E179 PolarHBondContact O-N 2.74Å; S177-G180 PolarHBondContact O-N 2.96Å; S177-G180 VanDerWaalsContact O-N 3.08Å |
| 178 | V | 57.8 | Low | 58.4 | Low | 103 Ų | 103 | 132.5 Ų | 132.5 | 62% | 0.624 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -63.9 | -23.6 | 170.6 | -68 | 0 | 0 | 0 | 0 | 111 | R176 G180 L181 S182 | R176-V178 PolarHBondContact O-N 3.32Å; V178-G180 PolarHBondContact O-N 3.3Å; V178-L181 PolarHBondContact O-N 2.75Å; V178-S182 PolarHBondContact O-N 2.99Å |
| 179 | E | 65.8 | Low | 59 | Low | 123 Ų | 123 | 134.3 Ų | 134.3 | 58% | 0.575 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.1 | -15.6 | 173.3 | -49.9 | 78.3 | -172.8 | 0 | 0 | 113.3 | S177 S182 | S177-E179 VanDerWaalsContact C-OE2 3.23Å; S177-E179 WeakPolarHBondContact CA-OE2 3.43Å; S177-E179 WeakPolarHBondContact CB-OE2 3.27Å; S177-E179 PolarHBondContact O-N 2.74Å; E179-S182 WeakPolarHBondContact CA-OG 3.21Å; E179-S182 PolarHBondContact O-OG 3.12Å; E179-S182 VanDerWaalsContact O-OG 3.05Å |
| 180 | G | 60.9 | Low | 59 | Low | 30 Ų | 30 | 128 Ų | 128 | 31% | 0.309 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -81.7 | -42.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S177 V178 S182 L183 E184 | S177-G180 PolarHBondContact O-N 2.96Å; S177-G180 VanDerWaalsContact O-N 3.08Å; V178-G180 PolarHBondContact O-N 3.3Å; G180-S182 VanDerWaalsContact C-N 3.31Å; G180-S182 PolarHBondContact O-N 3.5Å; G180-L183 PolarHBondContact O-N 3Å; G180-E184 PolarHBondContact O-N 3.11Å; G180-E184 VanDerWaalsContact O-N 3.08Å |
| 181 | L | 60.4 | Low | 59.4 | Low | 100 Ų | 100 | 126 Ų | 126 | 52% | 0.524 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -66.2 | -31.9 | 178.7 | -64.6 | 173.8 | 0 | 0 | 0 | 112.1 | V178 L183 L185 | V178-L181 PolarHBondContact O-N 2.75Å; L181-L183 VanDerWaalsContact C-N 3.35Å; L181-L185 VanDerWaalsContact O-CB 3.3Å; L181-L185 WeakPolarHBondContact O-CB 3.31Å; L181-L185 WeakPolarHBondContact O-CD1 3.41Å; L181-L185 WeakPolarHBondContact O-CG 3.47Å; L181-L185 PolarHBondContact O-N 3.14Å |
| 182 | S | 67.8 | Low | 59.5 | Low | 52 Ų | 52 | 130.4 Ų | 130.4 | 36% | 0.364 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -62.6 | -40.9 | 173.9 | 48.8 | 0 | 0 | 0 | 0 | 112.3 | V178 E179 G180 L185 E186 | V178-S182 PolarHBondContact O-N 2.99Å; E179-S182 WeakPolarHBondContact CA-OG 3.21Å; E179-S182 PolarHBondContact O-OG 3.12Å; E179-S182 VanDerWaalsContact O-OG 3.05Å; G180-S182 VanDerWaalsContact C-N 3.31Å; G180-S182 PolarHBondContact O-N 3.5Å; S182-L185 PolarHBondContact O-N 3.26Å; S182-E186 WeakPolarHBondContact O-CB 3.44Å; S182-E186 VanDerWaalsContact O-CG 3.26Å; S182-E186 WeakPolarHBondContact O-CG 3.39Å; S182-E186 PolarHBondContact O-N 3.2Å |
| 183 | L | 69.6 | Low | 59.5 | Low | 113 Ų | 113 | 132.8 Ų | 132.8 | 59% | 0.592 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72.2 | -40.3 | 179.2 | -64 | 170.4 | 0 | 0 | 0 | 111.9 | G180 L181 L185 E186 E187 | G180-L183 PolarHBondContact O-N 3Å; L181-L183 VanDerWaalsContact C-N 3.35Å; L183-L185 VanDerWaalsContact C-N 3.31Å; L183-L185 PolarHBondContact O-N 2.95Å; L183-E186 PolarHBondContact O-N 3.18Å; L183-E187 PolarHBondContact O-N 2.87Å |
| 184 | E | 72.3 | Confident | 59.5 | Low | 126 Ų | 126 | 128 Ų | 128 | 59% | 0.589 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.3 | -35.9 | 174.5 | -171.8 | 174.4 | -166.7 | 0 | 0 | 111.9 | G180 V188 | G180-E184 PolarHBondContact O-N 3.11Å; G180-E184 VanDerWaalsContact O-N 3.08Å; E184-V188 WeakPolarHBondContact O-CG2 3.38Å; E184-V188 PolarHBondContact O-N 3.39Å |
| 185 | L | 70.3 | Confident | 58.8 | Low | 93 Ų | 93 | 126.1 Ų | 126.1 | 49% | 0.487 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -77.1 | -35.3 | 174.2 | -68.6 | 169 | 0 | 0 | 0 | 112.8 | L181 S182 L183 E187 V188 F189 | L181-L185 VanDerWaalsContact O-CB 3.3Å; L181-L185 WeakPolarHBondContact O-CB 3.31Å; L181-L185 WeakPolarHBondContact O-CD1 3.41Å; L181-L185 WeakPolarHBondContact O-CG 3.47Å; L181-L185 PolarHBondContact O-N 3.14Å; S182-L185 PolarHBondContact O-N 3.26Å; L183-L185 VanDerWaalsContact C-N 3.31Å; L183-L185 PolarHBondContact O-N 2.95Å; L185-E187 VanDerWaalsContact C-N 3.31Å; L185-E187 PolarHBondContact O-N 2.79Å; L185-V188 PolarHBondContact O-N 3.4Å; L185-F189 HydrophobicContact CB-CD2 4.37Å; L185-F189 HydrophobicContact CB-CE2 4.47Å; L185-F189 HydrophobicContact CD2-CE2 4.21Å; L185-F189 WeakPolarHBondContact O-CD2 3.34Å; L185-F189 PolarHBondContact O-N 3.25Å |
| 186 | E | 67.9 | Low | 58.6 | Low | 109 Ų | 109 | 122 Ų | 122 | 51% | 0.509 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -60.6 | -40.1 | 172.3 | -80.1 | 167 | -168 | 0 | 0 | 111.1 | S182 L183 V188 F189 V190 | S182-E186 WeakPolarHBondContact O-CB 3.44Å; S182-E186 VanDerWaalsContact O-CG 3.26Å; S182-E186 WeakPolarHBondContact O-CG 3.39Å; S182-E186 PolarHBondContact O-N 3.2Å; L183-E186 PolarHBondContact O-N 3.18Å; E186-V188 VanDerWaalsContact C-N 3.29Å; E186-V188 PolarHBondContact O-N 2.86Å; E186-F189 PolarHBondContact O-N 2.84Å; E186-V190 WeakPolarHBondContact O-CB 3.47Å; E186-V190 VanDerWaalsContact O-CG2 3.25Å; E186-V190 WeakPolarHBondContact O-CG2 3.44Å; E186-V190 PolarHBondContact O-N 2.88Å |
| 187 | E | 64.8 | Low | 58.4 | Low | 164 Ų | 164 | 117.3 Ų | 117.3 | 77% | 0.766 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.1 | -32.3 | 174.6 | -167.5 | 165.2 | -151.8 | 0 | 0 | 112.8 | L183 L185 | L183-E187 PolarHBondContact O-N 2.87Å; L185-E187 VanDerWaalsContact C-N 3.31Å; L185-E187 PolarHBondContact O-N 2.79Å |
| 188 | V | 61.9 | Low | 57.9 | Low | 102 Ų | 102 | 123.2 Ų | 123.2 | 62% | 0.618 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -74.4 | -33.4 | 174.5 | 171.7 | 0 | 0 | 0 | 0 | 113 | E184 L185 E186 | E184-V188 WeakPolarHBondContact O-CG2 3.38Å; E184-V188 PolarHBondContact O-N 3.39Å; L185-V188 PolarHBondContact O-N 3.4Å; E186-V188 VanDerWaalsContact C-N 3.29Å; E186-V188 PolarHBondContact O-N 2.86Å |
| 189 | F | 57.9 | Low | 57.3 | Low | 159 Ų | 159 | 126.2 Ų | 126.2 | 70% | 0.697 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -102.5 | -11.7 | -173.7 | -69.6 | -61.4 | 0 | 0 | 0 | 115.6 | L185 E186 | L185-F189 HydrophobicContact CB-CD2 4.37Å; L185-F189 HydrophobicContact CB-CE2 4.47Å; L185-F189 HydrophobicContact CD2-CE2 4.21Å; L185-F189 WeakPolarHBondContact O-CD2 3.34Å; L185-F189 PolarHBondContact O-N 3.25Å; E186-F189 PolarHBondContact O-N 2.84Å |
| 190 | V | 55.5 | Low | 56.6 | Low | 114 Ų | 114 | 128.5 Ų | 128.5 | 69% | 0.691 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -105.8 | 5.9 | -176.5 | -175.7 | 0 | 0 | 0 | 0 | 112.7 | E186 E192 | E186-V190 WeakPolarHBondContact O-CB 3.47Å; E186-V190 VanDerWaalsContact O-CG2 3.25Å; E186-V190 WeakPolarHBondContact O-CG2 3.44Å; E186-V190 PolarHBondContact O-N 2.88Å; V190-E192 PolarHBondContact O-N 3.43Å |
| 191 | S | 53.5 | Low | 56.4 | Low | 98 Ų | 98 | 133.3 Ų | 133.3 | 69% | 0.685 | 68% | 0.683 | S | S | * | * | | | trans | -79.7 | 35.8 | 173 | -167.8 | 0 | 0 | 0 | 0 | 114.1 | K193 | S191-K193 PolarHBondContact O-N 3.46Š|
| 192 | E | 50.7 | Low | 56.3 | Low | 179 Ų | 179 | 135.8 Ų | 135.8 | 84% | 0.836 | 70% | 0.697 | S | S | * | * | | | trans | -89.1 | 93.7 | 168.9 | -171.8 | 171.6 | -160.1 | 0 | 0 | 109.8 | V190 | V190-E192 PolarHBondContact O-N 3.43Š|
| 193 | K | 46.3 | Very low | 55.8 | Low | 181 Ų | 181 | 140.4 Ų | 140.4 | 79% | 0.787 | 72% | 0.716 | S | S | * | * | | | trans | -104 | 116.2 | 166.8 | -67.4 | 179.3 | -175.9 | 173 | 0 | 108.6 | S191 N195 | S191-K193 PolarHBondContact O-N 3.46Å; K193-N195 VanDerWaalsContact C-N 3.31Å; K193-N195 PolarHBondContact O-N 3.35Å |
| 194 | P | 50.5 | Low | 55.4 | Low | 123 Ų | 123 | 140.4 Ų | 140.4 | 80% | 0.799 | 72% | 0.723 | S | S | * | * | | | trans | -70.3 | 95.4 | 161 | 29.8 | -30.9 | 0 | 0 | 0 | 107.5 | | |
| 195 | N | 38.7 | Very low | 55.3 | Low | 143 Ų | 143 | 140 Ų | 140 | 77% | 0.765 | 73% | 0.725 | S | S | * | * | | | trans | -109.6 | 114 | 161.2 | -171 | 103.8 | 0 | 0 | 0 | 107 | K193 | K193-N195 VanDerWaalsContact C-N 3.31Å; K193-N195 PolarHBondContact O-N 3.35Å |
| 196 | D | 48.7 | Very low | 54.9 | Low | 129 Ų | 129 | 139 Ų | 139 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | | | trans | -63 | 149.9 | -177.8 | -64.8 | -71.6 | 0 | 0 | 0 | 113.1 | | |
| 197 | E | 49.6 | Very low | 54.7 | Low | 153 Ų | 153 | 141.8 Ų | 141.8 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | | | trans | 69 | 144.4 | 154.6 | -68.2 | 174.2 | -170.5 | 0 | 0 | 121.5 | | |
| 198 | H | 45.5 | Very low | 55.2 | Low | 193 Ų | 193 | 144.6 Ų | 144.6 | 89% | 0.894 | 75% | 0.753 | S | S | * | * | | | trans | 88.9 | 142.6 | 160.4 | -53.9 | -49 | 0 | 0 | 0 | 121.2 | | |
| 199 | E | 44.7 | Very low | 55.2 | Low | 166 Ų | 166 | 144 Ų | 144 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | trans | 60.4 | 100 | 172.5 | -130.6 | 161.6 | -148.7 | 0 | 0 | 118.1 | L201 | E199-L201 VanDerWaalsContact C-N 3.32Å; E199-L201 HydrophobicContact CB-CD1 4.12Å; E199-L201 HydrophobicContact CG-CD1 4.36Å; E199-L201 PolarHBondContact O-N 2.87Å |
| 200 | I | 51.1 | Low | 55.7 | Low | 172 Ų | 172 | 142.2 Ų | 142.2 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | | | trans | -65.1 | 96.6 | 155.5 | -60.4 | 168.1 | 0 | 0 | 0 | 106.3 | D202 | I200-D202 PolarHBondContact O-N 3.33Š|
| 201 | L | 56.5 | Low | 55.9 | Low | 131 Ų | 131 | 143 Ų | 143 | 69% | 0.686 | 77% | 0.768 | S | S | * | * | | | trans | -63.1 | 119.7 | 170.4 | -99.1 | 72.9 | 0 | 0 | 0 | 108.9 | E199 I203 | E199-L201 VanDerWaalsContact C-N 3.32Å; E199-L201 HydrophobicContact CB-CD1 4.12Å; E199-L201 HydrophobicContact CG-CD1 4.36Å; E199-L201 PolarHBondContact O-N 2.87Å; L201-I203 PolarHBondContact O-N 3.46Å |
| 202 | D | 59 | Low | 56.6 | Low | 151 Ų | 151 | 143.7 Ų | 143.7 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | | | trans | -54.6 | 127.5 | 173.8 | -171.4 | 25.4 | 0 | 0 | 0 | 109.8 | I200 P204 | I200-D202 PolarHBondContact O-N 3.33Å; D202-P204 VanDerWaalsContact O-CD 3.25Å; D202-P204 WeakPolarHBondContact O-CD 3.39Å |
| 203 | I | 57.5 | Low | 56.7 | Low | 149 Ų | 149 | 139.8 Ų | 139.8 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | | | trans | -75.3 | 112.6 | -170 | -60.2 | 175.2 | 0 | 0 | 0 | 107.5 | L201 D205 | L201-I203 PolarHBondContact O-N 3.46Å; I203-D205 PolarHBondContact O-N 3.09Å |
| 204 | P | 61.1 | Low | 56.9 | Low | 114 Ų | 114 | 140.1 Ų | 140.1 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | | | trans | -66.1 | 122.8 | -173.6 | 26.8 | -34 | 0 | 0 | 0 | 110.1 | D202 G206 | D202-P204 VanDerWaalsContact O-CD 3.25Å; D202-P204 WeakPolarHBondContact O-CD 3.39Å; P204-G206 PolarHBondContact O-N 3.43Å; P204-G206 VanDerWaalsContact O-N 3.15Å |
| 205 | D | 69.2 | Low | 56.8 | Low | 118 Ų | 118 | 145.4 Ų | 145.4 | 63% | 0.631 | 78% | 0.777 | S | S | * | * | | | trans | -53 | 119.8 | -179.7 | 177.1 | 23.6 | 0 | 0 | 0 | 111.3 | I203 H207 | I203-D205 PolarHBondContact O-N 3.09Å; D205-H207 PolarHBondContact O-N 3.48Å; D205-H207 IonicContact OD1-CD2 3.79Å; D205-H207 PolarHBondContact OD1-CD2 3.47Å; D205-H207 IonicContact OD1-CG 3.45Å; D205-H207 IonicContact OD1-NE2 3.59Å; D205-H207 IonicContact OD2-CD2 3.01Å; D205-H207 IonicContact OD2-CG 3.96Å |
| 206 | G | 63.3 | Low | 56.9 | Low | 71 Ų | 71 | 144.5 Ų | 144.5 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 5.9 | -172 | 0 | 0 | 0 | 0 | 0 | 114.8 | P204 | P204-G206 PolarHBondContact O-N 3.43Å; P204-G206 VanDerWaalsContact O-N 3.15Å |
| 207 | H | 63.9 | Low | 56.7 | Low | 168 Ų | 168 | 144.1 Ų | 144.1 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | 6.4 | -174.4 | -64.6 | -36.7 | 0 | 0 | 0 | 115.3 | D205 | D205-H207 PolarHBondContact O-N 3.48Å; D205-H207 IonicContact OD1-CD2 3.79Å; D205-H207 PolarHBondContact OD1-CD2 3.47Å; D205-H207 IonicContact OD1-CG 3.45Å; D205-H207 IonicContact OD1-NE2 3.59Å; D205-H207 IonicContact OD2-CD2 3.01Å; D205-H207 IonicContact OD2-CG 3.96Å |
| 208 | R | 74.7 | Confident | 56.2 | Low | 223 Ų | 223 | 142.7 Ų | 142.7 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -118.6 | 115.6 | 163.8 | -106.1 | -174.5 | 175.2 | -155.4 | -0.9 | 112.5 | | |
| 209 | A | 61.6 | Low | 55.6 | Low | 90 Ų | 90 | 136.9 Ų | 136.9 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 138.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 210 | P | 68.9 | Low | 55.2 | Low | 121 Ų | 121 | 133.9 Ų | 133.9 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 138.8 | 179.5 | 25.4 | -33.8 | 0 | 0 | 0 | 111 | | |
| 211 | V | 59.9 | Low | 54.6 | Low | 130 Ų | 130 | 134 Ų | 134 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 130.2 | 179.4 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | A213 | V211-A213 PolarHBondContact O-N 3.3Å; V211-A213 VanDerWaalsContact O-N 3.14Å |
| 212 | P | 66.3 | Low | 53.8 | Low | 113 Ų | 113 | 132.1 Ų | 132.1 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 120.7 | 178.4 | -25.8 | 34.7 | 0 | 0 | 0 | 111.4 | Q214 | P212-Q214 PolarHBondContact O-N 2.87Å; P212-Q214 VanDerWaalsContact O-N 3.12Å |
| 213 | A | 54.4 | Low | 52.7 | Low | 96 Ų | 96 | 133.4 Ų | 133.4 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 118.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V211 R215 | V211-A213 PolarHBondContact O-N 3.3Å; V211-A213 VanDerWaalsContact O-N 3.14Å; A213-R215 PolarHBondContact O-N 3.37Å |
| 214 | Q | 50.4 | Low | 52.6 | Low | 188 Ų | 188 | 130.9 Ų | 130.9 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | | | trans | -60.2 | 113.6 | 178 | -76.8 | -173.6 | -64.5 | 0 | 0 | 109.7 | P212 C216 | P212-Q214 PolarHBondContact O-N 2.87Å; P212-Q214 VanDerWaalsContact O-N 3.12Å; Q214-C216 PolarHBondContact O-N 2.93Å; Q214-C216 VanDerWaalsContact O-N 3.13Å |
| 215 | R | 48 | Very low | 51.4 | Low | 235 Ų | 235 | 130.5 Ų | 130.5 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | | | trans | -70.4 | 106.7 | 166.7 | -73.3 | -176.3 | 175.6 | 172.9 | -0.6 | 108.2 | A213 S217 | A213-R215 PolarHBondContact O-N 3.37Å; R215-S217 VanDerWaalsContact C-N 3.27Å; R215-S217 PolarHBondContact O-N 3.4Å |
| 216 | C | 40.1 | Very low | 50.6 | Low | 123 Ų | 123 | 130.5 Ų | 130.5 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | | | trans | -66.5 | 85.1 | 170.2 | -62 | 0 | 0 | 0 | 0 | 110.2 | Q214 S218 | Q214-C216 PolarHBondContact O-N 2.93Å; Q214-C216 VanDerWaalsContact O-N 3.13Å; C216-S218 PolarHBondContact O-N 3.45Å |
| 217 | S | 44.2 | Very low | 49.1 | Very low | 121 Ų | 121 | 133 Ų | 133 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | -61.7 | 120.6 | 164.5 | -64.2 | 0 | 0 | 0 | 0 | 108.8 | R215 | R215-S217 VanDerWaalsContact C-N 3.27Å; R215-S217 PolarHBondContact O-N 3.4Å |
| 218 | S | 40.5 | Very low | 47.9 | Very low | 123 Ų | 123 | 133 Ų | 133 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | | | trans | -127.8 | 131.7 | 180 | -171.1 | 0 | 0 | 0 | 0 | 110.8 | C216 | C216-S218 PolarHBondContact O-N 3.45Š|
| 219 | G | 32.1 | Very low | 46.6 | Very low | 71 Ų | 71 | 127.8 Ų | 127.8 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | | | trans | 95.5 | 137.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 220 | S | 36.2 | Very low | 45.5 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | | | cis | -170.1 | 136 | -12.7 | -138.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 221 | Q | 39.8 | Very low | 44.4 | Very low | 174 Ų | 174 | 128.7 Ų | 128.7 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | trans | 61.8 | 157.3 | 161.9 | -54.2 | -59.4 | -17.3 | 0 | 0 | 116.2 | | |
| 222 | S | 38.1 | Very low | 43.2 | Very low | 93 Ų | 93 | 127 Ų | 127 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | | | cis | -165.3 | 146.9 | -12.4 | 41.4 | 0 | 0 | 0 | 0 | 109 | | |
| 223 | E | 36 | Very low | 41.7 | Very low | 178 Ų | 178 | 129.1 Ų | 129.1 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | 166.1 | 149.3 | 130.3 | -93.3 | -79.3 | 81.3 | 0 | 0 | 110.7 | | |
| 224 | P | 56.1 | Low | 41 | Very low | 95 Ų | 95 | 129.4 Ų | 129.4 | 62% | 0.617 | 78% | 0.782 | S | S | * | * | | | trans | -115.8 | 179.9 | -175.8 | 40.7 | -30.8 | 0 | 0 | 0 | 115.4 | | |
| 225 | S | 36.2 | Very low | 40.8 | Very low | 107 Ų | 107 | 126.1 Ų | 126.1 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | 95.8 | 164.6 | 161 | -32.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 226 | P | 51.5 | Low | 40.3 | Very low | 118 Ų | 118 | 120.6 Ų | 120.6 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | | -139.1 | 152.7 | -93.6 | 36 | -16 | 0 | 0 | 0 | 116.7 | | |
| 227 | S | 31.3 | Very low | 40.6 | Very low | 124 Ų | 124 | 120 Ų | 120 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | | | trans | -164.3 | 133.3 | 149.8 | 28.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 228 | L | 39 | Very low | 40.3 | Very low | 167 Ų | 167 | 121.7 Ų | 121.7 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | | | trans | -105.9 | 173.7 | 156.7 | -81.9 | 164.2 | 0 | 0 | 0 | 107.2 | | |
| 229 | P | 47.6 | Very low | 39.8 | Very low | 113 Ų | 113 | 122.1 Ų | 122.1 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | cis | -130.2 | 179 | 3.7 | 41.8 | -26.4 | 0 | 0 | 0 | 115.1 | | |
| 230 | S | 39.6 | Very low | 39.8 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | trans | -76.2 | 157.1 | 162.1 | -44.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 231 | P | 45.2 | Very low | 39.6 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | | | | -135.8 | 174.1 | 116.2 | 42 | -32 | 0 | 0 | 0 | 111 | | |
| 232 | S | 35.4 | Very low | 39.7 | Very low | 95 Ų | 95 | 123.3 Ų | 123.3 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | | | cis | -162.3 | 147.2 | 23.3 | 51.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 233 | L | 35 | Very low | 40 | Very low | 156 Ų | 156 | 124.6 Ų | 124.6 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | | | trans | 51.5 | 102.3 | 141.8 | -55.7 | 169.8 | 0 | 0 | 0 | 119.2 | | |
| 234 | S | 39.6 | Very low | 39.9 | Very low | 103 Ų | 103 | 122.2 Ų | 122.2 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | | | | 87.3 | 162.7 | 77.7 | 79.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 235 | P | 45.6 | Very low | 38.7 | Very low | 118 Ų | 118 | 121.3 Ų | 121.3 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | | | cis | -128.3 | 174.9 | -6.8 | 41.5 | -26.6 | 0 | 0 | 0 | 115.3 | | |
| 236 | C | 38.3 | Very low | 38.5 | Very low | 119 Ų | 119 | 121.9 Ų | 121.9 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -99.8 | 166.2 | 165.4 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 237 | P | 46.2 | Very low | 38.7 | Very low | 112 Ų | 112 | 121.6 Ų | 121.6 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | | -117.4 | 144 | 111.5 | -4.5 | 25 | 0 | 0 | 0 | 110.9 | | |
| 238 | L | 37.6 | Very low | 38.6 | Very low | 155 Ų | 155 | 120.8 Ų | 120.8 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | | | | 60.5 | 131.7 | 76.6 | -65.1 | 158.4 | 0 | 0 | 0 | 112.6 | | |
| 239 | D | 30.4 | Very low | 38.2 | Very low | 133 Ų | 133 | 121.4 Ų | 121.4 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | cis | -152.2 | 170 | 21.5 | -150.5 | -14.7 | 0 | 0 | 0 | 114.4 | | |
| 240 | S | 31.7 | Very low | 37.5 | Very low | 96 Ų | 96 | 124.1 Ų | 124.1 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | | | trans | 6.9 | 153.4 | 148.8 | -65.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 241 | S | 31.4 | Very low | 37.2 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | cis | -174.6 | 159.4 | -2.8 | 46.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 242 | L | 41.3 | Very low | 36.5 | Very low | 169 Ų | 169 | 124.7 Ų | 124.7 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | | | trans | -74 | 151.8 | 163.3 | -78.4 | 160.6 | 0 | 0 | 0 | 111.5 | | |
| 243 | P | 44.6 | Very low | 36.2 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | | -146.2 | 176.1 | 111.6 | 38.8 | -24 | 0 | 0 | 0 | 115.8 | | |
| 244 | S | 35.2 | Very low | 36.1 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | | | trans | -83.8 | 155.8 | 176.2 | -178 | 0 | 0 | 0 | 0 | 113 | | |
| 245 | G | 29.9 | Very low | 35.7 | Very low | 76 Ų | 76 | 130.5 Ų | 130.5 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | | | trans | -178.2 | 128.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 246 | S | 33.2 | Very low | 35 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -161.6 | 170 | 174.2 | -167.6 | 0 | 0 | 0 | 0 | 107 | | |
| 247 | P | 54.1 | Low | 35.2 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | cis | -123.7 | -179.2 | -12.2 | 41.7 | -28.4 | 0 | 0 | 0 | 112.9 | | |
| 248 | C | 29.4 | Very low | 34.5 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 72% | 0.716 | 79% | 0.79 | S | S | * | * | | | trans | 170.3 | 164 | 142.1 | 63.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 249 | H | 31 | Very low | 35.1 | Very low | 180 Ų | 180 | 128.4 Ų | 128.4 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | | | cis | -134.4 | 166.2 | -2.2 | -96.1 | -66.3 | 0 | 0 | 0 | 110.8 | | |
| 250 | L | 33.6 | Very low | 36.4 | Very low | 170 Ų | 170 | 127.6 Ų | 127.6 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | | | trans | -75.3 | 146.5 | 169.6 | -59.7 | 161.3 | 0 | 0 | 0 | 111.8 | | |
| 251 | N | 31.8 | Very low | 37 | Very low | 163 Ų | 163 | 128.5 Ų | 128.5 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | | | | -164.4 | 163.9 | 109.3 | -149.3 | -8.5 | 0 | 0 | 0 | 111.7 | | |
| 252 | A | 30.7 | Very low | 37.3 | Very low | 81 Ų | 81 | 129.2 Ų | 129.2 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | | | trans | -133.9 | 142.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 253 | S | 30.9 | Very low | 37.5 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | 175.2 | 159.3 | 153.6 | -84.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 254 | R | 32.5 | Very low | 36.9 | Very low | 214 Ų | 214 | 130.4 Ų | 130.4 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | | | cis | 179.7 | 131.7 | -42.4 | -120.5 | -174.1 | 158 | -165.8 | -6.7 | 108 | | |
| 255 | L | 31.1 | Very low | 36.8 | Very low | 143 Ų | 143 | 132.4 Ų | 132.4 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | | | trans | 69.8 | 125.3 | 152.3 | -53.1 | 167.7 | 0 | 0 | 0 | 120.9 | | |
| 256 | S | 30.7 | Very low | 37 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | | 26.4 | 158.5 | 124.5 | -77 | 0 | 0 | 0 | 0 | 122.9 | | |
| 257 | P | 41.3 | Very low | 37.8 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | | | cis | -136.9 | -129 | 29.2 | 40.8 | -18.9 | 0 | 0 | 0 | 116.7 | | |
| 258 | S | 32 | Very low | 36.9 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | trans | -134.6 | -173.2 | -142.7 | 71.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 259 | P | 50.5 | Low | 37.8 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | | | trans | -95.8 | -156.2 | -161.4 | 45.3 | -42.6 | 0 | 0 | 0 | 113 | | |
| 260 | P | 56.8 | Low | 38.2 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | cis | -120.9 | -127 | -6.4 | 42.6 | -21.4 | 0 | 0 | 0 | 111.6 | | |
| 261 | P | 44.5 | Very low | 38.1 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | | | cis | -120.2 | -170.5 | 9 | 45.1 | -30.8 | 0 | 0 | 0 | 115.7 | | |
| 262 | C | 38 | Very low | 38 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -117.5 | 160.4 | 167.1 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 263 | P | 44.9 | Very low | 38.1 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | | | trans | -114.4 | 170.1 | 159.2 | 37.6 | -27.8 | 0 | 0 | 0 | 113.7 | | |
| 264 | M | 33.9 | Very low | 38.1 | Very low | 180 Ų | 180 | 135.4 Ų | 135.4 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | | | trans | -137.3 | 134.8 | -167.7 | 170.6 | -149.6 | -52.2 | 0 | 0 | 109.2 | | |
| 265 | L | 32.6 | Very low | 38.2 | Very low | 168 Ų | 168 | 132.6 Ų | 132.6 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | | | trans | -176.2 | 150.6 | 150.5 | 54 | 100.9 | 0 | 0 | 0 | 113.1 | | |
| 266 | D | 33.5 | Very low | 38.2 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | | | trans | -133.2 | 159.4 | 169.6 | -172.7 | 31.6 | 0 | 0 | 0 | 105.8 | | |
| 267 | P | 49.8 | Very low | 38.2 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | | | | -162.8 | 149.2 | 96.3 | 40.6 | -19.3 | 0 | 0 | 0 | 119.5 | | |
| 268 | E | 35.3 | Very low | 38 | Very low | 161 Ų | 161 | 130.2 Ų | 130.2 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | | | trans | 65.9 | 173.4 | 131.1 | -66.1 | -74.8 | 77 | 0 | 0 | 121.5 | | |
| 269 | P | 48.8 | Very low | 38.3 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 66% | 0.662 | 80% | 0.797 | S | S | * | * | | | cis | -134.8 | 174.9 | -47.5 | 37.5 | -22.6 | 0 | 0 | 0 | 114.2 | | |
| 270 | A | 39.5 | Very low | 37.6 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | | | trans | -157 | 138.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 271 | E | 30.8 | Very low | 36.7 | Very low | 196 Ų | 196 | 129.2 Ų | 129.2 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | | | trans | -112 | 150.4 | -171.3 | -57.7 | 168.1 | 103.1 | 0 | 0 | 113.7 | | |
| 272 | C | 30.2 | Very low | 36.2 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | | | trans | -163.5 | 134 | 142.2 | -158.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 273 | E | 31.7 | Very low | 36.3 | Very low | 182 Ų | 182 | 130.7 Ų | 130.7 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | | | trans | -70.6 | 157 | -175.2 | -74.5 | -71 | 103.5 | 0 | 0 | 115.6 | | |
| 274 | G | 31.7 | Very low | 36.2 | Very low | 71 Ų | 71 | 129.2 Ų | 129.2 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | | | trans | -160.9 | 6.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 275 | L | 34.8 | Very low | 36.6 | Very low | 154 Ų | 154 | 126.6 Ų | 126.6 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | | | trans | 64.7 | 115.7 | 170.1 | -58.8 | 172 | 0 | 0 | 0 | 120.2 | | |
| 276 | C | 30.4 | Very low | 37 | Very low | 114 Ų | 114 | 127 Ų | 127 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | | | | 40.3 | 131.8 | 125.6 | -59 | 0 | 0 | 0 | 0 | 121.2 | | |
| 277 | S | 31.8 | Very low | 37.2 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | cis | -160.3 | 166.9 | 0.3 | -60.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 278 | S | 37.3 | Very low | 36.5 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | cis | -147.1 | 165.4 | 19.6 | -62.7 | 0 | 0 | 0 | 0 | 112 | | |
| 279 | S | 37.4 | Very low | 36.6 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | trans | -58.8 | 168.1 | 171 | -41.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 280 | S | 36.8 | Very low | 36 | Very low | 106 Ų | 106 | 128.3 Ų | 128.3 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | | | cis | -160.8 | 154.7 | 25.4 | 56.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 281 | A | 36.1 | Very low | 36.3 | Very low | 88 Ų | 88 | 128.5 Ų | 128.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | 48.5 | 115.1 | 146.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 282 | S | 34.5 | Very low | 37.2 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | cis | 101 | 91.9 | 35.8 | 73.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 283 | L | 40.4 | Very low | 37.9 | Very low | 167 Ų | 167 | 129.8 Ų | 129.8 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | 64.1 | 176.2 | 145 | -55.1 | 179 | 0 | 0 | 0 | 117.9 | | |
| 284 | P | 43.1 | Very low | 38.7 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | | | | -120.7 | -176.4 | -54 | 35.7 | -23.6 | 0 | 0 | 0 | 111.8 | | |
| 285 | S | 43 | Very low | 39.2 | Very low | 124 Ų | 124 | 132 Ų | 132 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | | | trans | -85.4 | 121.3 | 178.4 | -176.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 286 | F | 39.3 | Very low | 39.5 | Very low | 177 Ų | 177 | 130 Ų | 130 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -163.1 | 155.7 | 143.7 | 58.6 | -89.8 | 0 | 0 | 0 | 113.1 | | |
| 287 | A | 37.5 | Very low | 40 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | trans | 55.5 | 96.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 288 | L | 37 | Very low | 40.6 | Very low | 182 Ų | 182 | 130.5 Ų | 130.5 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | | | | -152 | 146.1 | 121.3 | -123 | 161.3 | 0 | 0 | 0 | 109.8 | | |
| 289 | E | 36.2 | Very low | 40.9 | Very low | 175 Ų | 175 | 129.8 Ų | 129.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -123.8 | 149.1 | -163.1 | -168.9 | -172.8 | 138.1 | 0 | 0 | 112.1 | | |
| 290 | A | 37.4 | Very low | 41.6 | Very low | 86 Ų | 86 | 129.6 Ų | 129.6 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | trans | 67.6 | 160.2 | 165 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 291 | P | 43.8 | Very low | 42.7 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | | | cis | -108.7 | 159.9 | -1.4 | 39 | -30.3 | 0 | 0 | 0 | 114.7 | Q293 | P291-Q293 PolarHBondContact O-N 3.37Š|
| 292 | L | 51.5 | Low | 43.4 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 93% | 0.927 | 80% | 0.796 | S | S | * | * | | | trans | -64.6 | 116.7 | 170.9 | -63.1 | 171.1 | 0 | 0 | 0 | 110.7 | | |
| 293 | Q | 43.3 | Very low | 44.2 | Very low | 177 Ų | 177 | 139.8 Ų | 139.8 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | | | trans | -98.1 | 110.3 | 166.4 | -70.3 | -165.6 | -14.9 | 0 | 0 | 110.2 | P291 P295 | P291-Q293 PolarHBondContact O-N 3.37Å; Q293-P295 WeakPolarHBondContact O-CD 3.32Å |
| 294 | Q | 48.4 | Very low | 44.8 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | | | trans | -64 | 125.1 | 171.9 | -64.4 | 171.7 | -66 | 0 | 0 | 110.2 | C296 | Q294-C296 PolarHBondContact O-N 3.26Å; Q294-C296 VanDerWaalsContact O-N 3.1Å |
| 295 | P | 43.1 | Very low | 45.5 | Very low | 129 Ų | 129 | 142.2 Ų | 142.2 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | | | trans | -74.1 | 99.2 | 162.4 | -10.5 | 28.2 | 0 | 0 | 0 | 107.9 | Q293 S297 | Q293-P295 WeakPolarHBondContact O-CD 3.32Å; P295-S297 PolarHBondContact O-N 3.25Å |
| 296 | C | 40.6 | Very low | 46 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 75% | 0.75 | 80% | 0.801 | S | S | * | * | | | trans | -52.9 | 139.3 | 179.7 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | Q294 S298 | Q294-C296 PolarHBondContact O-N 3.26Å; Q294-C296 VanDerWaalsContact O-N 3.1Å; C296-S298 VanDerWaalsContact C-N 3.34Å; C296-S298 PolarHBondContact O-N 3.19Å |
| 297 | S | 41.1 | Very low | 46.8 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | trans | -66.3 | 84.4 | -176.4 | 43.7 | 0 | 0 | 0 | 0 | 112.6 | P295 S299 | P295-S297 PolarHBondContact O-N 3.25Å; S297-S299 PolarHBondContact O-N 3.27Å |
| 298 | S | 45.7 | Very low | 47.7 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | | | trans | -73.1 | 106.4 | 175.5 | -160.7 | 0 | 0 | 0 | 0 | 110.3 | C296 | C296-S298 VanDerWaalsContact C-N 3.34Å; C296-S298 PolarHBondContact O-N 3.19Å |
| 299 | S | 43.3 | Very low | 49 | Very low | 101 Ų | 101 | 144.9 Ų | 144.9 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 132 | 178.1 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | S297 R301 | S297-S299 PolarHBondContact O-N 3.27Å; S299-R301 PolarHBondContact O-N 3.2Å; S299-R301 VanDerWaalsContact O-N 3.09Å |
| 300 | P | 52.4 | Low | 50.6 | Low | 113 Ų | 113 | 147.3 Ų | 147.3 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 116.5 | -174.4 | 24.7 | -33.6 | 0 | 0 | 0 | 110.7 | | |
| 301 | R | 60 | Low | 52.4 | Low | 212 Ų | 212 | 149.4 Ų | 149.4 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 141.5 | 172.7 | -66.9 | -176.3 | -179.7 | -178.1 | 0.5 | 109.1 | S299 N303 K304 | S299-R301 PolarHBondContact O-N 3.2Å; S299-R301 VanDerWaalsContact O-N 3.09Å; R301-N303 PolarHBondContact O-N 3.08Å; R301-K304 PolarHBondContact O-N 2.9Å |
| 302 | P | 48.9 | Very low | 54 | Low | 134 Ų | 134 | 148.1 Ų | 148.1 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 28.1 | -162.3 | 31.2 | -39 | 0 | 0 | 0 | 115.6 | | |
| 303 | N | 52.7 | Low | 55.3 | Low | 163 Ų | 163 | 144.3 Ų | 144.3 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.1 | 35.1 | 174.3 | -122.1 | -27.7 | 0 | 0 | 0 | 113 | R301 | R301-N303 PolarHBondContact O-N 3.08Š|
| 304 | K | 52.8 | Low | 56.9 | Low | 177 Ų | 177 | 145.6 Ų | 145.6 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | trans | -134.4 | 102.8 | 163.5 | -72.7 | -164.1 | 175.5 | -168.5 | 0 | 109.8 | R301 Y306 | R301-K304 PolarHBondContact O-N 2.9Å; K304-Y306 PolarHBondContact O-N 3.25Å |
| 305 | T | 56.8 | Low | 57.9 | Low | 148 Ų | 148 | 141.4 Ų | 141.4 | 91% | 0.908 | 78% | 0.784 | S | S | * | * | | | trans | -70.2 | 93.1 | 171.2 | 30.6 | 0 | 0 | 0 | 0 | 109.9 | S307 | T305-S307 PolarHBondContact O-N 3.4Å; T305-S307 VanDerWaalsContact O-N 3.1Å |
| 306 | Y | 54.3 | Low | 59 | Low | 176 Ų | 176 | 138.9 Ų | 138.9 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | | | trans | -68.6 | 104.6 | 166.4 | -176.7 | -97.9 | 0 | 0 | 0 | 108.6 | K304 F308 | K304-Y306 PolarHBondContact O-N 3.25Å; Y306-F308 HydrophobicContact CD1-CD1 4.04Å; Y306-F308 AromaticContact CD1-CD2 3.88Å; Y306-F308 HydrophobicContact CD1-CD2 3.88Å; Y306-F308 HydrophobicContact CD1-CE1 4.01Å; Y306-F308 AromaticContact CD1-CE2 3.86Å; Y306-F308 HydrophobicContact CD1-CE2 3.86Å; Y306-F308 AromaticContact CD1-CG 3.98Å; Y306-F308 HydrophobicContact CD1-CG 3.98Å; Y306-F308 AromaticContact CD1-CZ 3.92Å; Y306-F308 HydrophobicContact CD1-CZ 3.92Å; Y306-F308 AromaticContact CE1-CD1 3.75Å; Y306-F308 HydrophobicContact CE1-CD1 3.75Å; Y306-F308 HydrophobicContact CE1-CD2 4.42Å; Y306-F308 AromaticContact CE1-CE1 3.82Å; Y306-F308 HydrophobicContact CE1-CE1 3.82Å; Y306-F308 HydrophobicContact CE1-CE2 4.49Å; Y306-F308 HydrophobicContact CE1-CG 4.07Å; Y306-F308 HydrophobicContact CE1-CZ 4.2Å; Y306-F308 PolarHBondContact O-N 2.96Å |
| 307 | S | 56.9 | Low | 60.7 | Low | 101 Ų | 101 | 141.5 Ų | 141.5 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | -70.6 | 96.5 | 173.8 | 53.5 | 0 | 0 | 0 | 0 | 109.1 | T305 Q309 | T305-S307 PolarHBondContact O-N 3.4Å; T305-S307 VanDerWaalsContact O-N 3.1Å; S307-Q309 VanDerWaalsContact C-N 3.34Å; S307-Q309 PolarHBondContact O-N 3.11Å |
| 308 | F | 56.3 | Low | 61.9 | Low | 167 Ų | 167 | 147 Ų | 147 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | | | trans | -56.9 | 98.7 | 167.2 | -75.2 | -84.8 | 0 | 0 | 0 | 108.9 | Y306 R310 | Y306-F308 HydrophobicContact CD1-CD1 4.04Å; Y306-F308 AromaticContact CD1-CD2 3.88Å; Y306-F308 HydrophobicContact CD1-CD2 3.88Å; Y306-F308 HydrophobicContact CD1-CE1 4.01Å; Y306-F308 AromaticContact CD1-CE2 3.86Å; Y306-F308 HydrophobicContact CD1-CE2 3.86Å; Y306-F308 AromaticContact CD1-CG 3.98Å; Y306-F308 HydrophobicContact CD1-CG 3.98Å; Y306-F308 AromaticContact CD1-CZ 3.92Å; Y306-F308 HydrophobicContact CD1-CZ 3.92Å; Y306-F308 AromaticContact CE1-CD1 3.75Å; Y306-F308 HydrophobicContact CE1-CD1 3.75Å; Y306-F308 HydrophobicContact CE1-CD2 4.42Å; Y306-F308 AromaticContact CE1-CE1 3.82Å; Y306-F308 HydrophobicContact CE1-CE1 3.82Å; Y306-F308 HydrophobicContact CE1-CE2 4.49Å; Y306-F308 HydrophobicContact CE1-CG 4.07Å; Y306-F308 HydrophobicContact CE1-CZ 4.2Å; Y306-F308 PolarHBondContact O-N 2.96Å; F308-R310 PolarHBondContact O-N 2.81Å |
| 309 | Q | 63.4 | Low | 62.8 | Low | 183 Ų | 183 | 147.1 Ų | 147.1 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | | | trans | -75 | 82.4 | -179.7 | -167.9 | 170.7 | 73.4 | 0 | 0 | 108.1 | S307 V311 | S307-Q309 VanDerWaalsContact C-N 3.34Å; S307-Q309 PolarHBondContact O-N 3.11Å; Q309-V311 PolarHBondContact O-N 3.02Å |
| 310 | R | 70.8 | Confident | 63.4 | Low | 227 Ų | 227 | 153.3 Ų | 153.3 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | | | trans | -61.8 | 109 | 175.5 | -70 | -175.9 | 175.5 | -171.8 | -2.9 | 108.3 | F308 P312 | F308-R310 PolarHBondContact O-N 2.81Å; R310-P312 WeakPolarHBondContact O-CD 3.49Å |
| 311 | V | 73.9 | Confident | 63.3 | Low | 129 Ų | 129 | 154.3 Ų | 154.3 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 124.4 | 164.6 | -177.1 | 0 | 0 | 0 | 0 | 106.8 | Q309 | Q309-V311 PolarHBondContact O-N 3.02Š|
| 312 | P | 77.5 | Confident | 62.3 | Low | 84 Ų | 84 | 149.8 Ų | 149.8 | 55% | 0.545 | 78% | 0.779 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 141.5 | 173.5 | -23.6 | 34.6 | 0 | 0 | 0 | 109.9 | R310 C316 | R310-P312 WeakPolarHBondContact O-CD 3.49Å; P312-C316 HydrophobicContact CB-CB 3.54Å |
| 313 | P | 78.1 | Confident | 62.3 | Low | 96 Ų | 96 | 152.4 Ų | 152.4 | 62% | 0.623 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 151.1 | 177.8 | 26 | -33.7 | 0 | 0 | 0 | 110.9 | G315 C316 | P313-G315 PolarHBondContact O-N 3.33Å; P313-C316 VanDerWaalsContact O-CB 3.31Å; P313-C316 WeakPolarHBondContact O-CB 3.48Å; P313-C316 PolarHBondContact O-N 3.11Å |
| 314 | E | 78.5 | Confident | 62 | Low | 205 Ų | 205 | 153.3 Ų | 153.3 | 96% | 0.958 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | 133.9 | 179.2 | -62.2 | -169.2 | 146.2 | 0 | 0 | 110.6 | | |
| 315 | G | 68.1 | Low | 61.4 | Low | 83 Ų | 83 | 148.8 Ų | 148.8 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.5 | -15.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | P313 E317 | P313-G315 PolarHBondContact O-N 3.33Å; G315-E317 VanDerWaalsContact C-N 3.31Å; G315-E317 PolarHBondContact O-N 3.28Å |
| 316 | C | 66.6 | Low | 60.8 | Low | 76 Ų | 76 | 149.8 Ų | 149.8 | 51% | 0.514 | 77% | 0.773 | S | S | . | * | | | trans | -74 | 82 | 167 | -76.5 | 0 | 0 | 0 | 0 | 111.2 | P312 P313 | P312-C316 HydrophobicContact CB-CB 3.54Å; P313-C316 VanDerWaalsContact O-CB 3.31Å; P313-C316 WeakPolarHBondContact O-CB 3.48Å; P313-C316 PolarHBondContact O-N 3.11Å |
| 317 | E | 76.7 | Confident | 60.1 | Low | 165 Ų | 165 | 146.5 Ų | 146.5 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | | | trans | -58.9 | 141.1 | 170.1 | 66.5 | 171.1 | 177.4 | 0 | 0 | 111.3 | G315 V319 | G315-E317 VanDerWaalsContact C-N 3.31Å; G315-E317 PolarHBondContact O-N 3.28Å; E317-V319 VanDerWaalsContact C-N 3.29Å; E317-V319 PolarHBondContact O-N 3.48Å |
| 318 | R | 66.4 | Low | 59.2 | Low | 235 Ų | 235 | 146.4 Ų | 146.4 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | | | trans | -74.6 | 88.1 | 171.5 | -73.1 | 177.8 | 60.7 | -162.2 | -3.6 | 108.3 | R320 | R318-R320 PolarHBondContact O-N 2.87Š|
| 319 | V | 63.3 | Low | 58.1 | Low | 115 Ų | 115 | 143.9 Ų | 143.9 | 70% | 0.697 | 78% | 0.782 | S | S | * | * | | | trans | -46.2 | 116.9 | 169.5 | 178.6 | 0 | 0 | 0 | 0 | 107.9 | E317 V321 | E317-V319 VanDerWaalsContact C-N 3.29Å; E317-V319 PolarHBondContact O-N 3.48Å; V319-V321 PolarHBondContact O-N 3.01Å |
| 320 | R | 57.4 | Low | 57.2 | Low | 231 Ų | 231 | 140.6 Ų | 140.6 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | | | trans | -68.9 | 98.4 | 177.6 | -72.8 | -176.6 | -74.7 | -179.6 | -3.7 | 107.4 | R318 C322 | R318-R320 PolarHBondContact O-N 2.87Å; R320-C322 PolarHBondContact O-N 2.94Å |
| 321 | V | 49.8 | Very low | 56 | Low | 134 Ų | 134 | 136.2 Ų | 136.2 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | | | trans | -48.1 | 125.9 | 159.5 | 177.9 | 0 | 0 | 0 | 0 | 106.1 | V319 E323 | V319-V321 PolarHBondContact O-N 3.01Å; V321-E323 PolarHBondContact O-N 3.11Å |
| 322 | C | 38.4 | Very low | 54.5 | Low | 116 Ų | 116 | 138.6 Ų | 138.6 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | | | trans | -56.1 | 114.2 | -177.6 | -63.3 | 0 | 0 | 0 | 0 | 108.9 | R320 E324 | R320-C322 PolarHBondContact O-N 2.94Å; C322-E324 VanDerWaalsContact C-N 3.3Å; C322-E324 PolarHBondContact O-N 2.67Å |
| 323 | E | 50.1 | Low | 52.9 | Low | 190 Ų | 190 | 141.7 Ų | 141.7 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | | | trans | -67 | 96.5 | 168 | -172.3 | 170.1 | 176.9 | 0 | 0 | 106 | V321 A325 | V321-E323 PolarHBondContact O-N 3.11Å; E323-A325 VanDerWaalsContact C-N 3.31Å; E323-A325 PolarHBondContact O-N 3.03Å |
| 324 | E | 45.4 | Very low | 51.4 | Low | 181 Ų | 181 | 144.1 Ų | 144.1 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | | | trans | -63.8 | 96.7 | 179.1 | -173.7 | 171.5 | -178.1 | 0 | 0 | 107.5 | C322 I326 | C322-E324 VanDerWaalsContact C-N 3.3Å; C322-E324 PolarHBondContact O-N 2.67Å; E324-I326 PolarHBondContact O-N 2.85Å; E324-I326 VanDerWaalsContact O-N 3.07Å |
| 325 | A | 40.1 | Very low | 50.2 | Low | 82 Ų | 82 | 142.5 Ų | 142.5 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | | | trans | -60.3 | 117 | -166.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | E323 S327 | E323-A325 VanDerWaalsContact C-N 3.31Å; E323-A325 PolarHBondContact O-N 3.03Å; A325-S327 PolarHBondContact O-N 3.11Å |
| 326 | I | 45 | Very low | 49.4 | Very low | 170 Ų | 170 | 146.1 Ų | 146.1 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | | | trans | -68.8 | 81.6 | 176.1 | -55.2 | 169.9 | 0 | 0 | 0 | 107.5 | E324 A328 | E324-I326 PolarHBondContact O-N 2.85Å; E324-I326 VanDerWaalsContact O-N 3.07Å; I326-A328 PolarHBondContact O-N 2.96Å |
| 327 | S | 39.8 | Very low | 48.3 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | | | trans | -69.5 | 111.6 | 174 | 57.8 | 0 | 0 | 0 | 0 | 108 | A325 C329 | A325-S327 PolarHBondContact O-N 3.11Å; S327-C329 PolarHBondContact O-N 3.01Å |
| 328 | A | 38.1 | Very low | 47 | Very low | 99 Ų | 99 | 145.7 Ų | 145.7 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -68.5 | 93.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | I326 | I326-A328 PolarHBondContact O-N 2.96Š|
| 329 | C | 31.5 | Very low | 46.3 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | | | trans | -95.1 | 113.6 | 161.9 | -162 | 0 | 0 | 0 | 0 | 108.3 | S327 | S327-C329 PolarHBondContact O-N 3.01Š|
| 330 | P | 45.9 | Very low | 46.3 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | -75.8 | 144.3 | 170.3 | 32 | -32.5 | 0 | 0 | 0 | 110.5 | | |
| 331 | D | 45.8 | Very low | 46.6 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | 66.8 | 95.5 | 171.8 | -154.1 | 21.6 | 0 | 0 | 0 | 117 | | |
| 332 | E | 42.5 | Very low | 47.1 | Very low | 178 Ų | 178 | 130.1 Ų | 130.1 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | | | trans | -163.1 | 128.8 | 135.7 | -106 | -77.8 | 65.5 | 0 | 0 | 109.4 | L334 | E332-L334 PolarHBondContact O-N 2.97Š|
| 333 | Q | 42.3 | Very low | 48.3 | Very low | 150 Ų | 150 | 131.3 Ų | 131.3 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | trans | -72.2 | 107.6 | -154.3 | -65.5 | 160 | 32 | 0 | 0 | 115.4 | L335 | Q333-L335 PolarHBondContact O-N 2.97Š|
| 334 | L | 48.7 | Very low | 49.3 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | | | trans | 32.9 | 59.1 | 138.5 | -141.3 | 176 | 0 | 0 | 0 | 116.6 | E332 Q336 | E332-L334 PolarHBondContact O-N 2.97Å; L334-Q336 HydrophobicContact CD2-CG 3.77Å; L334-Q336 PolarHBondContact O-N 2.87Å |
| 335 | L | 51.3 | Low | 50.3 | Low | 170 Ų | 170 | 124 Ų | 124 | 89% | 0.89 | 72% | 0.72 | S | S | * | * | | | trans | -69.4 | 87.2 | 175.8 | -67.1 | -179 | 0 | 0 | 0 | 111.5 | Q333 | Q333-L335 PolarHBondContact O-N 2.97Š|
| 336 | Q | 52.8 | Low | 51.4 | Low | 159 Ų | 159 | 126.9 Ų | 126.9 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | | | trans | -60.8 | 128.1 | 170 | -69 | -169.2 | -41.3 | 0 | 0 | 110.3 | L334 S338 | L334-Q336 HydrophobicContact CD2-CG 3.77Å; L334-Q336 PolarHBondContact O-N 2.87Å; Q336-S338 PolarHBondContact O-N 2.77Å |
| 337 | P | 42 | Very low | 52.4 | Low | 118 Ų | 118 | 127.3 Ų | 127.3 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | | | trans | -66.6 | 107.8 | 164.9 | 27.9 | -31.9 | 0 | 0 | 0 | 108.2 | C339 | P337-C339 VanDerWaalsContact C-N 3.33Å; P337-C339 PolarHBondContact O-N 2.9Å |
| 338 | S | 49.9 | Very low | 53.2 | Low | 115 Ų | 115 | 127 Ų | 127 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | | | trans | -72.7 | 84 | -176.3 | 50.9 | 0 | 0 | 0 | 0 | 111.5 | Q336 | Q336-S338 PolarHBondContact O-N 2.77Š|
| 339 | C | 52 | Low | 54.5 | Low | 112 Ų | 112 | 128 Ų | 128 | 76% | 0.757 | 71% | 0.712 | S | S | * | * | | | trans | -51.4 | 126.9 | 170.9 | -66.5 | 0 | 0 | 0 | 0 | 109.9 | P337 D341 | P337-C339 VanDerWaalsContact C-N 3.33Å; P337-C339 PolarHBondContact O-N 2.9Å; C339-D341 PolarHBondContact O-N 3.03Å |
| 340 | P | 62.8 | Low | 55.6 | Low | 103 Ų | 103 | 130.3 Ų | 130.3 | 67% | 0.669 | 71% | 0.711 | S | S | * | * | | | trans | -64.4 | 129.1 | -179.7 | 26 | -33.7 | 0 | 0 | 0 | 110.2 | P342 V345 | P340-P342 WeakPolarHBondContact O-CD 3.17Å; P340-P342 VanDerWaalsContact O-N 3.13Å; P340-V345 HydrophobicContact CB-CG2 4Å |
| 341 | D | 64 | Low | 56.4 | Low | 61 Ų | 61 | 129.3 Ų | 129.3 | 33% | 0.326 | 72% | 0.721 | S | S | . | * | | | trans | -52.8 | 115.1 | 179.9 | 172.2 | 8.2 | 0 | 0 | 0 | 110.6 | C339 N343 K344 V345 | C339-D341 PolarHBondContact O-N 3.03Å; D341-N343 PolarHBondContact O-N 3.41Å; D341-N343 WeakPolarHBondContact OD1-CB 3.47Å; D341-N343 PolarHBondContact OD1-N 2.83Å; D341-N343 PolarHBondContact OD1-ND2 3.19Å; D341-K344 HydrophobicContact CB-CB 4.32Å; D341-K344 HydrophobicContact CB-CD 4.28Å; D341-K344 HydrophobicContact CB-CG 4.37Å; D341-K344 PolarHBondContact O-N 2.86Å; D341-K344 WeakPolarHBondContact OD2-CD 3.14Å; D341-K344 VanDerWaalsContact OD2-CE 3.28Å; D341-K344 WeakPolarHBondContact OD2-CE 3.34Å; D341-K344 WeakPolarHBondContact OD2-CG 3.05Å; D341-V345 PolarHBondContact O-N 2.28Å |
| 342 | P | 60.6 | Low | 57.2 | Low | 111 Ų | 111 | 125.9 Ų | 125.9 | 72% | 0.721 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -15.9 | -175.6 | 26.1 | -35 | 0 | 0 | 0 | 112.9 | P340 K344 | P340-P342 WeakPolarHBondContact O-CD 3.17Å; P340-P342 VanDerWaalsContact O-N 3.13Å; P342-K344 VanDerWaalsContact C-N 3.34Å |
| 343 | N | 64 | Low | 58.1 | Low | 142 Ų | 142 | 121.2 Ų | 121.2 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -7.7 | 175.7 | -51.2 | -81.3 | 0 | 0 | 0 | 113.2 | D341 | D341-N343 PolarHBondContact O-N 3.41Å; D341-N343 WeakPolarHBondContact OD1-CB 3.47Å; D341-N343 PolarHBondContact OD1-N 2.83Å; D341-N343 PolarHBondContact OD1-ND2 3.19Å |
| 344 | K | 70.6 | Confident | 59.1 | Low | 160 Ų | 160 | 118.9 Ų | 118.9 | 70% | 0.696 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | -16 | -179.4 | -70.3 | -179.9 | -174.2 | -179.8 | 0 | 114.3 | D341 P342 N346 | D341-K344 HydrophobicContact CB-CB 4.32Å; D341-K344 HydrophobicContact CB-CD 4.28Å; D341-K344 HydrophobicContact CB-CG 4.37Å; D341-K344 PolarHBondContact O-N 2.86Å; D341-K344 WeakPolarHBondContact OD2-CD 3.14Å; D341-K344 VanDerWaalsContact OD2-CE 3.28Å; D341-K344 WeakPolarHBondContact OD2-CE 3.34Å; D341-K344 WeakPolarHBondContact OD2-CG 3.05Å; P342-K344 VanDerWaalsContact C-N 3.34Å; K344-N346 PolarHBondContact O-N 3.17Å |
| 345 | V | 67.7 | Low | 59.4 | Low | 56 Ų | 56 | 120.9 Ų | 120.9 | 34% | 0.339 | 71% | 0.714 | S | S | . | * | | | trans | -79.8 | 86.8 | 178.8 | -161.7 | 0 | 0 | 0 | 0 | 110.8 | P340 D341 F347 | P340-V345 HydrophobicContact CB-CG2 4Å; D341-V345 PolarHBondContact O-N 2.28Å; V345-F347 VanDerWaalsContact C-N 3.31Å; V345-F347 HydrophobicContact CB-CD2 4.22Å; V345-F347 HydrophobicContact CB-CE2 3.79Å; V345-F347 HydrophobicContact CB-CZ 4.35Å; V345-F347 HydrophobicContact CG1-CD1 4.49Å; V345-F347 HydrophobicContact CG1-CD2 3.86Å; V345-F347 HydrophobicContact CG1-CE1 4.1Å; V345-F347 HydrophobicContact CG1-CE2 3.41Å; V345-F347 VanDerWaalsContact CG1-CE2 3.41Å; V345-F347 HydrophobicContact CG1-CG 4.38Å; V345-F347 HydrophobicContact CG1-CZ 3.55Å; V345-F347 WeakPolarHBondContact O-CD2 3.33Å; V345-F347 PolarHBondContact O-N 3.38Å |
| 346 | N | 62.7 | Low | 59.5 | Low | 144 Ų | 144 | 116.1 Ų | 116.1 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | | | trans | -71.8 | 84 | 172 | -81.7 | -82.6 | 0 | 0 | 0 | 110.9 | K344 T348 | K344-N346 PolarHBondContact O-N 3.17Å; N346-T348 PolarHBondContact O-N 3.05Å |
| 347 | F | 65 | Low | 59.7 | Low | 179 Ų | 179 | 114.1 Ų | 114.1 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | | | trans | -63.4 | 103.1 | 167.8 | -68.6 | -81.9 | 0 | 0 | 0 | 109.6 | V345 P349 | V345-F347 VanDerWaalsContact C-N 3.31Å; V345-F347 HydrophobicContact CB-CD2 4.22Å; V345-F347 HydrophobicContact CB-CE2 3.79Å; V345-F347 HydrophobicContact CB-CZ 4.35Å; V345-F347 HydrophobicContact CG1-CD1 4.49Å; V345-F347 HydrophobicContact CG1-CD2 3.86Å; V345-F347 HydrophobicContact CG1-CE1 4.1Å; V345-F347 HydrophobicContact CG1-CE2 3.41Å; V345-F347 VanDerWaalsContact CG1-CE2 3.41Å; V345-F347 HydrophobicContact CG1-CG 4.38Å; V345-F347 HydrophobicContact CG1-CZ 3.55Å; V345-F347 WeakPolarHBondContact O-CD2 3.33Å; V345-F347 PolarHBondContact O-N 3.38Å; F347-P349 WeakPolarHBondContact O-CD 3.45Å |
| 348 | T | 57.9 | Low | 60.1 | Low | 99 Ų | 99 | 114.1 Ų | 114.1 | 61% | 0.607 | 69% | 0.693 | S | S | * | * | | | trans | -88.9 | 104.6 | 166.7 | 43.1 | 0 | 0 | 0 | 0 | 108.3 | N346 H350 | N346-T348 PolarHBondContact O-N 3.05Å; T348-H350 PolarHBondContact O-N 3.23Å; T348-H350 PolarHBondContact O-ND1 3.02Å; T348-H350 PolarHBondContact OG1-CE1 2.56Å |
| 349 | P | 64.1 | Low | 60.5 | Low | 120 Ų | 120 | 113.3 Ų | 113.3 | 78% | 0.779 | 69% | 0.687 | S | S | * | * | | | trans | -70.2 | 96.7 | 178.7 | 28.7 | -34.5 | 0 | 0 | 0 | 109.4 | F347 G351 | F347-P349 WeakPolarHBondContact O-CD 3.45Å; P349-G351 PolarHBondContact O-N 2.98Å; P349-G351 VanDerWaalsContact O-N 3.14Å |
| 350 | H | 55.9 | Low | 60.7 | Low | 163 Ų | 163 | 114.6 Ų | 114.6 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | | | trans | -57.7 | 118.6 | 170.8 | -55 | -27.9 | 0 | 0 | 0 | 108.2 | T348 G352 | T348-H350 PolarHBondContact O-N 3.23Å; T348-H350 PolarHBondContact O-ND1 3.02Å; T348-H350 PolarHBondContact OG1-CE1 2.56Å; H350-G352 PolarHBondContact O-N 2.94Å |
| 351 | G | 62.7 | Low | 60.2 | Low | 92 Ų | 92 | 118 Ų | 118 | 95% | 0.948 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -67.4 | 92.8 | -156 | 0 | 0 | 0 | 0 | 0 | 114.9 | P349 | P349-G351 PolarHBondContact O-N 2.98Å; P349-G351 VanDerWaalsContact O-N 3.14Å |
| 352 | G | 61.5 | Low | 59.9 | Low | 64 Ų | 64 | 123.4 Ų | 123.4 | 66% | 0.66 | 72% | 0.718 | S | S | * | * | | | trans | -168.7 | 106.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H350 | H350-G352 PolarHBondContact O-N 2.94Š|
| 353 | S | 62 | Low | 59.4 | Low | 81 Ų | 81 | 123.1 Ų | 123.1 | 57% | 0.566 | 72% | 0.716 | S | S | * | * | | | trans | -69.7 | 134 | 165.6 | 173.5 | 0 | 0 | 0 | 0 | 109.3 | F355 C356 | S353-F355 PolarHBondContact O-N 2.99Å; S353-F355 VanDerWaalsContact O-N 3.08Å; S353-F355 PolarHBondContact OG-N 2.99Å; S353-C356 WeakPolarHBondContact O-CB 3.34Å; S353-C356 PolarHBondContact O-N 2.87Å |
| 354 | A | 62.2 | Low | 59.1 | Low | 100 Ų | 100 | 124.5 Ų | 124.5 | 83% | 0.826 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -15 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 355 | F | 56.4 | Low | 58.6 | Low | 190 Ų | 190 | 123.6 Ų | 123.6 | 83% | 0.833 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 17.7 | 173.5 | -59.1 | -75.2 | 0 | 0 | 0 | 113 | S353 P357 | S353-F355 PolarHBondContact O-N 2.99Å; S353-F355 VanDerWaalsContact O-N 3.08Å; S353-F355 PolarHBondContact OG-N 2.99Å; F355-P357 WeakPolarHBondContact O-CD 3.19Å |
| 356 | C | 52.4 | Low | 57.8 | Low | 70 Ų | 70 | 125.6 Ų | 125.6 | 47% | 0.473 | 74% | 0.739 | S | S | . | * | S | Bend | trans | -69.3 | 116.4 | 162.2 | -166.3 | 0 | 0 | 0 | 0 | 107.7 | S353 V358 | S353-C356 WeakPolarHBondContact O-CB 3.34Å; S353-C356 PolarHBondContact O-N 2.87Å; C356-V358 PolarHBondContact O-N 3.17Å; C356-V358 VanDerWaalsContact O-N 3.14Å |
| 357 | P | 57 | Low | 57.4 | Low | 116 Ų | 116 | 122 Ų | 122 | 75% | 0.753 | 73% | 0.725 | S | S | * | * | | | trans | -61.3 | 122.1 | 173.2 | 26.8 | -32.8 | 0 | 0 | 0 | 107.4 | F355 S359 | F355-P357 WeakPolarHBondContact O-CD 3.19Å; P357-S359 PolarHBondContact O-N 2.91Å |
| 358 | V | 50.1 | Low | 57 | Low | 118 Ų | 118 | 118.6 Ų | 118.6 | 72% | 0.715 | 71% | 0.713 | S | S | * | * | | | trans | -42.4 | 114.5 | -164.3 | -175.8 | 0 | 0 | 0 | 0 | 110.9 | C356 L360 | C356-V358 PolarHBondContact O-N 3.17Å; C356-V358 VanDerWaalsContact O-N 3.14Å; V358-L360 HydrophobicContact CB-CD2 4.41Å; V358-L360 HydrophobicContact CG1-CD2 4.02Å; V358-L360 PolarHBondContact O-N 3.09Å |
| 359 | S | 59.6 | Low | 57 | Low | 99 Ų | 99 | 119.3 Ų | 119.3 | 69% | 0.692 | 71% | 0.713 | S | S | * | * | | | trans | -69.5 | 79.7 | 172.4 | 39.7 | 0 | 0 | 0 | 0 | 108.5 | P357 L361 | P357-S359 PolarHBondContact O-N 2.91Å; S359-L361 PolarHBondContact O-N 2.86Å |
| 360 | L | 56 | Low | 56.6 | Low | 139 Ų | 139 | 119.2 Ų | 119.2 | 73% | 0.728 | 71% | 0.705 | S | S | * | * | | | trans | -50.5 | 107 | -174.7 | -68.2 | 175.8 | 0 | 0 | 0 | 109.7 | V358 K362 | V358-L360 HydrophobicContact CB-CD2 4.41Å; V358-L360 HydrophobicContact CG1-CD2 4.02Å; V358-L360 PolarHBondContact O-N 3.09Å; L360-K362 PolarHBondContact O-N 3.04Å |
| 361 | L | 53 | Low | 56.7 | Low | 173 Ų | 173 | 116.9 Ų | 116.9 | 91% | 0.906 | 70% | 0.697 | S | S | * | * | | | trans | -60.7 | 100.2 | 175.4 | -79.2 | 168 | 0 | 0 | 0 | 108.3 | S359 | S359-L361 PolarHBondContact O-N 2.86Š|
| 362 | K | 57.3 | Low | 56.3 | Low | 176 Ų | 176 | 119.5 Ų | 119.5 | 77% | 0.765 | 68% | 0.683 | S | S | * | * | | | trans | 37.5 | 103.1 | 173.5 | -91.7 | 169.7 | 171.6 | 169.1 | 0 | 114.3 | L360 L364 | L360-K362 PolarHBondContact O-N 3.04Å; K362-L364 PolarHBondContact O-N 2.86Å |
| 363 | P | 49.5 | Very low | 55.9 | Low | 105 Ų | 105 | 126.4 Ų | 126.4 | 68% | 0.682 | 69% | 0.689 | S | S | * | * | | | trans | -56.5 | 110.3 | 171 | 25.1 | -33.5 | 0 | 0 | 0 | 109.5 | L365 | P363-L365 HydrophobicContact CB-CD1 4.4Å; P363-L365 HydrophobicContact CB-CG 4.29Å; P363-L365 PolarHBondContact O-N 3.32Å |
| 364 | L | 57.7 | Low | 55.4 | Low | 170 Ų | 170 | 125.6 Ų | 125.6 | 89% | 0.89 | 69% | 0.694 | S | S | * | * | | | trans | -75.5 | 53.3 | 174.7 | -70 | 174.5 | 0 | 0 | 0 | 110.1 | K362 | K362-L364 PolarHBondContact O-N 2.86Š|
| 365 | L | 59.6 | Low | 54.9 | Low | 142 Ų | 142 | 127.5 Ų | 127.5 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 123.1 | 164 | -65.6 | 173 | 0 | 0 | 0 | 107 | P363 S367 | P363-L365 HydrophobicContact CB-CD1 4.4Å; P363-L365 HydrophobicContact CB-CG 4.29Å; P363-L365 PolarHBondContact O-N 3.32Å; L365-S367 PolarHBondContact O-N 3.37Å |
| 366 | P | 51.7 | Low | 54.5 | Low | 98 Ų | 98 | 123 Ų | 123 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 133.7 | 166.5 | 26.4 | -32.2 | 0 | 0 | 0 | 108.4 | L370 | P366-L370 HydrophobicContact CB-CD1 3.74Š|
| 367 | S | 53.8 | Low | 54.3 | Low | 69 Ų | 69 | 126.1 Ų | 126.1 | 48% | 0.483 | 70% | 0.698 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 151.4 | 179.6 | -169.3 | 0 | 0 | 0 | 0 | 111.1 | L365 D369 L370 | L365-S367 PolarHBondContact O-N 3.37Å; S367-D369 WeakPolarHBondContact CB-OD2 3.33Å; S367-D369 PolarHBondContact O-N 2.89Å; S367-D369 PolarHBondContact OG-OD2 3.14Å; S367-L370 PolarHBondContact O-N 3.3Å |
| 368 | M | 56.9 | Low | 53.8 | Low | 107 Ų | 107 | 125.7 Ų | 125.7 | 53% | 0.527 | 70% | 0.698 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.2 | -21.8 | 177.8 | -89.8 | -143 | 72.5 | 0 | 0 | 113.6 | L370 L371 F372 | M368-L370 PolarHBondContact O-N 3.36Å; M368-L370 VanDerWaalsContact O-N 3.17Å; M368-L371 HydrophobicContact CE-CD1 4.11Å; M368-L371 HydrophobicContact CG-CD1 4.46Å; M368-L371 WeakPolarHBondContact O-CB 3.36Å; M368-L371 PolarHBondContact O-N 2.96Å; M368-F372 HydrophobicContact CB-CE2 4.35Å; M368-F372 HydrophobicContact CE-CD2 4.3Å; M368-F372 HydrophobicContact CE-CE2 3.51Å; M368-F372 HydrophobicContact CE-CZ 3.72Å; M368-F372 WeakPolarHBondContact O-CD2 3.28Å; M368-F372 PolarHBondContact O-N 3.02Å; M368-F372 HydrophobicContact SD-CE2 4.34Å |
| 369 | D | 56.9 | Low | 53.6 | Low | 113 Ų | 113 | 125.6 Ų | 125.6 | 60% | 0.604 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -54.5 | -30.8 | 174.8 | -48.8 | -63.3 | 0 | 0 | 0 | 113.2 | S367 R373 | S367-D369 WeakPolarHBondContact CB-OD2 3.33Å; S367-D369 PolarHBondContact O-N 2.89Å; S367-D369 PolarHBondContact OG-OD2 3.14Å; D369-R373 PolarHBondContact O-N 2.82Å |
| 370 | L | 57 | Low | 52.9 | Low | 118 Ų | 118 | 127.6 Ų | 127.6 | 62% | 0.618 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -72.3 | -31.7 | 174.9 | -89.8 | 159.8 | 0 | 0 | 0 | 112.9 | P366 S367 M368 G374 | P366-L370 HydrophobicContact CB-CD1 3.74Å; S367-L370 PolarHBondContact O-N 3.3Å; M368-L370 PolarHBondContact O-N 3.36Å; M368-L370 VanDerWaalsContact O-N 3.17Å; L370-G374 PolarHBondContact O-N 2.9Å |
| 371 | L | 56.5 | Low | 52.4 | Low | 114 Ų | 114 | 127.6 Ų | 127.6 | 60% | 0.597 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -73.3 | -39.2 | 178.6 | -61.8 | 175.9 | 0 | 0 | 0 | 111.3 | M368 G374 | M368-L371 HydrophobicContact CE-CD1 4.11Å; M368-L371 HydrophobicContact CG-CD1 4.46Å; M368-L371 WeakPolarHBondContact O-CB 3.36Å; M368-L371 PolarHBondContact O-N 2.96Å; L371-G374 PolarHBondContact O-N 3.45Å |
| 372 | F | 54.4 | Low | 51.5 | Low | 147 Ų | 147 | 122.6 Ų | 122.6 | 65% | 0.645 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -70.2 | -33.6 | 176.2 | -69.6 | -65.3 | 0 | 0 | 0 | 113.1 | M368 G374 L375 | M368-F372 HydrophobicContact CB-CE2 4.35Å; M368-F372 HydrophobicContact CE-CD2 4.3Å; M368-F372 HydrophobicContact CE-CE2 3.51Å; M368-F372 HydrophobicContact CE-CZ 3.72Å; M368-F372 WeakPolarHBondContact O-CD2 3.28Å; M368-F372 PolarHBondContact O-N 3.02Å; M368-F372 HydrophobicContact SD-CE2 4.34Å; F372-G374 VanDerWaalsContact C-N 3.26Å; F372-G374 PolarHBondContact O-N 3.02Å; F372-L375 PolarHBondContact O-N 2.91Å |
| 373 | R | 54.3 | Low | 50.6 | Low | 209 Ų | 209 | 120.4 Ų | 120.4 | 79% | 0.789 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -71.8 | -17.9 | 175.9 | -167.8 | 171.2 | -70 | -109.7 | 1.7 | 113.4 | D369 | D369-R373 PolarHBondContact O-N 2.82Å |
| 374 | G | 50.5 | Low | 50.3 | Low | 65 Ų | 65 | 121 Ų | 121 | 67% | 0.67 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -8.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L370 L371 F372 | L370-G374 PolarHBondContact O-N 2.9Å; L371-G374 PolarHBondContact O-N 3.45Å; F372-G374 VanDerWaalsContact C-N 3.26Å; F372-G374 PolarHBondContact O-N 3.02Å |
| 375 | L | 52.8 | Low | 49.4 | Very low | 140 Ų | 140 | 116.4 Ų | 116.4 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | | | trans | -113.9 | 10.2 | -171.8 | -63.9 | 177.4 | 0 | 0 | 0 | 114.4 | F372 V377 | F372-L375 PolarHBondContact O-N 2.91Å; L375-V377 PolarHBondContact O-N 3.41Å |
| 376 | S | 47.6 | Very low | 48.5 | Very low | 96 Ų | 96 | 119 Ų | 119 | 67% | 0.671 | 72% | 0.718 | S | S | * | * | | | trans | -73.6 | 87.2 | 172.8 | 59.3 | 0 | 0 | 0 | 0 | 111 | S378 | S376-S378 PolarHBondContact O-N 3.01Š|
| 377 | V | 48.1 | Very low | 47.8 | Very low | 135 Ų | 135 | 118.3 Ų | 118.3 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | | | trans | -58.8 | 114.7 | 171.1 | 178.2 | 0 | 0 | 0 | 0 | 109.3 | L375 | L375-V377 PolarHBondContact O-N 3.41Š|
| 378 | S | 46.3 | Very low | 47.3 | Very low | 107 Ų | 107 | 120.5 Ų | 120.5 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | | | trans | -68.3 | 130.4 | 166.4 | -77.3 | 0 | 0 | 0 | 0 | 109.7 | S376 | S376-S378 PolarHBondContact O-N 3.01Š|
| 379 | P | 45.8 | Very low | 47.4 | Very low | 116 Ų | 116 | 121.2 Ų | 121.2 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | | | trans | -68.4 | 146.2 | 176.7 | 29.3 | -34.6 | 0 | 0 | 0 | 111 | | |
| 380 | V | 45.9 | Very low | 46.7 | Very low | 141 Ų | 141 | 122.9 Ų | 122.9 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | | | trans | -86 | 112.4 | -178 | 54.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 381 | T | 44.4 | Very low | 46.2 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | | | trans | -146.7 | 141.7 | 159.4 | 52.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 382 | G | 35.2 | Very low | 45.4 | Very low | 67 Ų | 67 | 131.3 Ų | 131.3 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | | | cis | 164.3 | 109.1 | -13 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 383 | C | 38.3 | Very low | 45 | Very low | 130 Ų | 130 | 132 Ų | 132 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | | | trans | 61.8 | 166.6 | 177.1 | -69.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 384 | S | 43.6 | Very low | 44.4 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | cis | -165.6 | 158.4 | -36.7 | 57 | 0 | 0 | 0 | 0 | 109.4 | | |
| 385 | G | 37.3 | Very low | 44.1 | Very low | 74 Ų | 74 | 130.2 Ų | 130.2 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | | | trans | 109.9 | 139.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 386 | Q | 42.3 | Very low | 43.4 | Very low | 198 Ų | 198 | 136.4 Ų | 136.4 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | | | trans | -14.9 | 154.6 | 160.7 | -43.8 | -179.9 | 15.6 | 0 | 0 | 118.2 | | |
| 387 | A | 36.5 | Very low | 43.2 | Very low | 83 Ų | 83 | 138.4 Ų | 138.4 | 69% | 0.686 | 83% | 0.828 | S | S | * | * | | | cis | -158.6 | 153.6 | 28.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 388 | S | 43.5 | Very low | 43 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | | | trans | 41.3 | 146.4 | 140.8 | -57.6 | 0 | 0 | 0 | 0 | 123.6 | | |
| 389 | P | 57.3 | Low | 42.8 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 79% | 0.786 | 83% | 0.833 | S | S | * | * | | | trans | -91.5 | 159.8 | -174 | 37.7 | -37.1 | 0 | 0 | 0 | 114.5 | | |
| 390 | T | 42.1 | Very low | 42.6 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 91% | 0.908 | 84% | 0.838 | S | S | * | * | | | trans | -146.6 | 152.8 | 159.8 | -68.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 391 | R | 47.6 | Very low | 42.4 | Very low | 231 Ų | 231 | 141.8 Ų | 141.8 | 87% | 0.872 | 84% | 0.837 | S | S | * | * | | | trans | -81.8 | 153.4 | -172.8 | -52.6 | 164.1 | 174.6 | 139.3 | -4.8 | 111.8 | | |
| 392 | H | 39.3 | Very low | 42.3 | Very low | 178 Ų | 178 | 142 Ų | 142 | 82% | 0.824 | 84% | 0.836 | S | S | * | * | | | | -162.6 | 162.4 | 102.2 | -146.4 | -102.1 | 0 | 0 | 0 | 113 | | |
| 393 | L | 45.6 | Very low | 42.8 | Very low | 161 Ų | 161 | 147.4 Ų | 147.4 | 84% | 0.843 | 85% | 0.846 | S | S | * | * | | | trans | -137.3 | 134 | 174.1 | -171.9 | 93 | 0 | 0 | 0 | 108.1 | | |
| 394 | G | 41.8 | Very low | 43.1 | Very low | 57 Ų | 57 | 148.7 Ų | 148.7 | 59% | 0.588 | 84% | 0.843 | S | S | * | * | | | trans | 134.9 | 119.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 395 | M | 43.9 | Very low | 43.1 | Very low | 180 Ų | 180 | 151.3 Ų | 151.3 | 89% | 0.887 | 85% | 0.846 | S | S | * | * | | | cis | 73.6 | 74.4 | 41.1 | -49.1 | -69.3 | 94.4 | 0 | 0 | 113.5 | | |
| 396 | Q | 39.7 | Very low | 43.6 | Very low | 270 Ų | 270 | 158.4 Ų | 158.4 | 100% | 1.262 | 85% | 0.853 | S | S | * | * | | | | -161 | 0 | 109.7 | -173.1 | 143 | 79.2 | 0 | 0 | 110.1 | | |