| 1 | M | 53.7 | Low | 61 | Low | 219 Ų | 219 | 133.5 Ų | 133.5 | 100% | 1.079 | 68% | 0.676 | S | S | * | * | | | | 0 | 128.5 | 0 | -74.6 | 127.4 | 73.3 | 0 | 0 | 108.1 | | |
| 2 | S | 62.4 | Low | 60.2 | Low | 64 Ų | 64 | 125.9 Ų | 125.9 | 45% | 0.448 | 66% | 0.655 | S | S | . | * | | | trans | -77.6 | 148.7 | -178.2 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | L4 D5 | S2-L4 PolarHBondContact O-N 3.14Å; S2-L4 VanDerWaalsContact O-N 3.11Å; S2-L4 PolarHBondContact OG-N 3.19Å; S2-D5 WeakPolarHBondContact O-CB 3.43Å; S2-D5 PolarHBondContact O-N 3.43Å |
| 3 | C | 64.2 | Low | 60 | Low | 103 Ų | 103 | 125.6 Ų | 125.6 | 70% | 0.696 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -56.3 | -24.7 | 175.5 | 48.2 | 0 | 0 | 0 | 0 | 113.2 | M7 | C3-M7 WeakPolarHBondContact O-CG 3.47Å; C3-M7 PolarHBondContact O-N 3.48Å |
| 4 | L | 66.8 | Low | 59.6 | Low | 120 Ų | 120 | 124.4 Ų | 124.4 | 63% | 0.628 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68 | -35 | 173.1 | -78 | 169.9 | 0 | 0 | 0 | 113.3 | S2 V6 Y8 | S2-L4 PolarHBondContact O-N 3.14Å; S2-L4 VanDerWaalsContact O-N 3.11Å; S2-L4 PolarHBondContact OG-N 3.19Å; L4-V6 VanDerWaalsContact C-N 3.33Å; L4-V6 PolarHBondContact O-N 3.43Å; L4-Y8 PolarHBondContact O-N 3.27Å |
| 5 | D | 64.4 | Low | 59 | Low | 108 Ų | 108 | 124.5 Ų | 124.5 | 58% | 0.578 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -67.1 | -35.5 | 178.4 | -93.6 | -34.9 | 0 | 0 | 0 | 112.1 | S2 Q9 | S2-D5 WeakPolarHBondContact O-CB 3.43Å; S2-D5 PolarHBondContact O-N 3.43Å; D5-Q9 PolarHBondContact O-N 3.13Å |
| 6 | V | 71.2 | Confident | 57.8 | Low | 86 Ų | 86 | 127.4 Ų | 127.4 | 52% | 0.521 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -73.2 | -39.6 | -178.4 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | L4 | L4-V6 VanDerWaalsContact C-N 3.33Å; L4-V6 PolarHBondContact O-N 3.43Å |
| 7 | M | 69.4 | Low | 57.6 | Low | 118 Ų | 118 | 125.5 Ų | 125.5 | 58% | 0.581 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -72.4 | -34.1 | -179.9 | -68.9 | -64.5 | -67.8 | 0 | 0 | 112.7 | C3 V10 | C3-M7 WeakPolarHBondContact O-CG 3.47Å; C3-M7 PolarHBondContact O-N 3.48Å; M7-V10 PolarHBondContact O-N 3.21Å |
| 8 | Y | 57.5 | Low | 56.6 | Low | 185 Ų | 185 | 129.3 Ų | 129.3 | 73% | 0.725 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -73.6 | -27.7 | 179.6 | -103.6 | -92.5 | 0 | 0 | 0 | 113.7 | L4 V10 G12 | L4-Y8 PolarHBondContact O-N 3.27Å; Y8-V10 VanDerWaalsContact C-N 3.34Å; Y8-G12 PolarHBondContact O-N 3.18Å |
| 9 | Q | 57.8 | Low | 55.6 | Low | 171 Ų | 171 | 132.6 Ų | 132.6 | 80% | 0.799 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -71 | -27.7 | 173.8 | -91.8 | -125.8 | 55.8 | 0 | 0 | 113.6 | D5 | D5-Q9 PolarHBondContact O-N 3.13Å |
| 10 | V | 53.1 | Low | 54.6 | Low | 103 Ų | 103 | 131.8 Ų | 131.8 | 62% | 0.624 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -81 | -23.2 | -176.7 | 172.8 | 0 | 0 | 0 | 0 | 112.6 | M7 Y8 | M7-V10 PolarHBondContact O-N 3.21Å; Y8-V10 VanDerWaalsContact C-N 3.34Å |
| 11 | Y | 50.8 | Low | 53.7 | Low | 192 Ų | 192 | 129.9 Ų | 129.9 | 75% | 0.753 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -118.3 | 1.5 | -176.5 | -72.5 | -81.8 | 0 | 0 | 0 | 114.7 | | |
| 12 | G | 51 | Low | 52.9 | Low | 42 Ų | 42 | 123.8 Ų | 123.8 | 43% | 0.433 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -84.5 | 133 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y8 | Y8-G12 PolarHBondContact O-N 3.18Š|
| 13 | P | 57.4 | Low | 51.7 | Low | 122 Ų | 122 | 131.3 Ų | 131.3 | 79% | 0.792 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -64 | 146.6 | 173.3 | 26.5 | -31.2 | 0 | 0 | 0 | 110.7 | | |
| 14 | P | 54.4 | Low | 50.4 | Low | 109 Ų | 109 | 131.2 Ų | 131.2 | 71% | 0.708 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 145.1 | -174.4 | 25.6 | -33.4 | 0 | 0 | 0 | 111.3 | Q16 | P14-Q16 PolarHBondContact O-N 3.15Å; P14-Q16 VanDerWaalsContact O-N 3.14Å |
| 15 | P | 51.1 | Low | 49.6 | Very low | 125 Ų | 125 | 130 Ų | 130 | 81% | 0.812 | 71% | 0.708 | S | S | * | * | | | trans | -73.4 | 111.6 | 178.6 | 30.4 | -30.9 | 0 | 0 | 0 | 108.6 | | |
| 16 | Q | 39.9 | Very low | 48.3 | Very low | 171 Ų | 171 | 135.4 Ų | 135.4 | 80% | 0.799 | 72% | 0.722 | S | S | * | * | | | trans | -110.4 | 130.8 | 158.2 | -78.6 | -67.9 | -23.4 | 0 | 0 | 108.5 | P14 | P14-Q16 PolarHBondContact O-N 3.15Å; P14-Q16 VanDerWaalsContact O-N 3.14Å |
| 17 | P | 54.9 | Low | 46.9 | Very low | 96 Ų | 96 | 138.7 Ų | 138.7 | 62% | 0.623 | 73% | 0.731 | S | S | * | * | | | trans | -79.5 | 167 | 179 | 35.3 | -31.2 | 0 | 0 | 0 | 109.6 | | |
| 18 | Y | 38.2 | Very low | 45.6 | Very low | 194 Ų | 194 | 142 Ų | 142 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | | | trans | 98.7 | 120.2 | 165.1 | -89.4 | -88.1 | 0 | 0 | 0 | 119.4 | | |
| 19 | F | 38.2 | Very low | 44.9 | Very low | 192 Ų | 192 | 140.7 Ų | 140.7 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | | | trans | 96 | 143.1 | 157.4 | -61.6 | -68.5 | 0 | 0 | 0 | 119.5 | | |
| 20 | S | 35.3 | Very low | 44.7 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | | | trans | -113.1 | 171.4 | -153 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 21 | A | 35.8 | Very low | 44.5 | Very low | 93 Ų | 93 | 145 Ų | 145 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | 82.3 | 142.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 22 | A | 37.1 | Very low | 44.2 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | | | cis | -159.3 | 156.4 | 14.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 23 | Y | 36.5 | Very low | 44 | Very low | 222 Ų | 222 | 147.2 Ų | 147.2 | 87% | 0.871 | 78% | 0.781 | S | S | * | * | | | trans | 16.2 | 129.5 | 136.6 | -115.1 | -109.2 | 0 | 0 | 0 | 117.4 | | |
| 24 | S | 37 | Very low | 43 | Very low | 100 Ų | 100 | 151.7 Ų | 151.7 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | | | | -174.8 | 158.8 | 53.7 | -159.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 25 | P | 51 | Low | 42.6 | Very low | 95 Ų | 95 | 152.6 Ų | 152.6 | 62% | 0.617 | 79% | 0.792 | S | S | * | * | | | trans | -96 | 178.6 | -174.2 | 34.8 | -22.2 | 0 | 0 | 0 | 112.9 | | |
| 26 | Y | 37.1 | Very low | 41.9 | Very low | 222 Ų | 222 | 155 Ų | 155 | 87% | 0.871 | 79% | 0.79 | S | S | * | * | | | trans | 107 | 102.5 | 171.1 | -74.7 | -91.4 | 0 | 0 | 0 | 117 | | |
| 27 | H | 41.7 | Very low | 42.4 | Very low | 155 Ų | 155 | 156.1 Ų | 156.1 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | | | | -165.5 | 84.2 | 106.1 | -162.8 | -90.3 | 0 | 0 | 0 | 110.6 | | |
| 28 | H | 42 | Very low | 41.8 | Very low | 187 Ų | 187 | 159 Ų | 159 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | | | trans | -82.3 | 111.8 | 162 | -72.6 | -93.3 | 0 | 0 | 0 | 108.4 | | |
| 29 | Q | 42.7 | Very low | 41.6 | Very low | 158 Ų | 158 | 156.5 Ų | 156.5 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | | | trans | -149.2 | 112.1 | 151.8 | -141.9 | 171.3 | 8.2 | 0 | 0 | 111.8 | | |
| 30 | K | 52.5 | Low | 41.4 | Very low | 198 Ų | 198 | 152.4 Ų | 152.4 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 73 | 86.5 | 149.4 | -153 | 176.9 | -172.6 | -177.7 | 0 | 116.4 | | |
| 31 | L | 50.9 | Low | 41.5 | Very low | 167 Ų | 167 | 153.9 Ų | 153.9 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | -164.3 | 67.7 | 134.4 | -94.5 | 170 | 0 | 0 | 0 | 107.7 | | |
| 32 | A | 44 | Very low | 41.4 | Very low | 100 Ų | 100 | 156.9 Ų | 156.9 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | | | trans | -99.1 | 88.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 33 | F | 45.3 | Very low | 41.1 | Very low | 180 Ų | 180 | 158.1 Ų | 158.1 | 79% | 0.789 | 79% | 0.794 | S | S | * | * | | | trans | -116.8 | 103.4 | 162.4 | -92.9 | -83.6 | 0 | 0 | 0 | 107.6 | | |
| 34 | Y | 37.7 | Very low | 40.9 | Very low | 216 Ų | 216 | 154.2 Ų | 154.2 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | | | trans | 61.1 | 78.2 | 159.8 | -88.4 | -100.3 | 0 | 0 | 0 | 118.5 | | |
| 35 | S | 44.7 | Very low | 40.8 | Very low | 128 Ų | 128 | 155.3 Ų | 155.3 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | | | trans | -106 | 98.6 | 140.4 | -177.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 36 | K | 38.3 | Very low | 39.8 | Very low | 176 Ų | 176 | 154.6 Ų | 154.6 | 77% | 0.765 | 81% | 0.811 | S | S | * | * | | | trans | -157 | 79 | 165 | -162.8 | -168.8 | -179.6 | -177.3 | 0 | 110.3 | | |
| 37 | M | 49.1 | Very low | 39.4 | Very low | 194 Ų | 194 | 147.4 Ų | 147.4 | 96% | 0.956 | 81% | 0.805 | S | S | * | * | | | trans | -139.7 | 65.9 | 151.5 | -79.8 | -68.3 | -62.1 | 0 | 0 | 106.1 | | |
| 38 | Q | 42.7 | Very low | 39 | Very low | 155 Ų | 155 | 145.3 Ų | 145.3 | 72% | 0.724 | 81% | 0.807 | S | S | * | * | | | trans | -121.9 | 110.2 | 167.5 | -171.4 | 144.4 | 9.5 | 0 | 0 | 107.9 | | |
| 39 | E | 33.1 | Very low | 38.9 | Very low | 143 Ų | 143 | 141 Ų | 141 | 67% | 0.668 | 80% | 0.799 | S | S | * | * | | | trans | 61.3 | 114.4 | 130.6 | -162.2 | 176.3 | 167.5 | 0 | 0 | 118.3 | | |
| 40 | A | 34.9 | Very low | 38.6 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | | | trans | -146.3 | 105.1 | 146.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 41 | Q | 36.9 | Very low | 38.1 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | | | trans | -68.1 | 142.3 | 159.3 | -103 | 171.2 | -115.2 | 0 | 0 | 110.7 | | |
| 42 | E | 33.4 | Very low | 37.4 | Very low | 155 Ų | 155 | 137.2 Ų | 137.2 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | | | trans | 52.2 | 115.8 | 141.9 | -68.8 | 161.5 | 131.1 | 0 | 0 | 121.4 | | |
| 43 | S | 31.9 | Very low | 37.4 | Very low | 117 Ų | 117 | 141 Ų | 141 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | | 139.2 | 129.6 | 107.6 | 64.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 44 | V | 31.5 | Very low | 36.9 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | | | trans | 77.1 | 113.8 | 145.6 | 126.2 | 0 | 0 | 0 | 0 | 122.5 | | |
| 45 | S | 34.6 | Very low | 36.7 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | | | trans | 71.8 | 117.9 | 131.4 | -132.6 | 0 | 0 | 0 | 0 | 122 | | |
| 46 | G | 29.9 | Very low | 36.7 | Very low | 79 Ų | 79 | 130 Ų | 130 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | | | trans | 129.7 | 110.8 | 136.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 47 | G | 30.8 | Very low | 36.4 | Very low | 72 Ų | 72 | 127.6 Ų | 127.6 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | 119.9 | 82.6 | 142.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 48 | S | 33.3 | Very low | 36.2 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | 39.9 | 118.8 | 136.4 | 64.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 49 | S | 39.6 | Very low | 35.9 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | | | | -161.9 | 106.8 | 115.2 | -87.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 50 | F | 36.8 | Very low | 36.5 | Very low | 165 Ų | 165 | 128.9 Ų | 128.9 | 72% | 0.724 | 80% | 0.796 | S | S | * | * | | | trans | -5.5 | 130.3 | 150.5 | 56.2 | -85.4 | 0 | 0 | 0 | 118.8 | | |
| 51 | S | 40.7 | Very low | 36.8 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | | | | -160.9 | 93.4 | 126.7 | -80.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 52 | N | 35.7 | Very low | 37 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | | | trans | -81 | 126.9 | 166.6 | -71.5 | -50.6 | 0 | 0 | 0 | 108.3 | | |
| 53 | L | 43.9 | Very low | 37.5 | Very low | 181 Ų | 181 | 130.3 Ų | 130.3 | 95% | 0.948 | 80% | 0.801 | S | S | * | * | | | trans | -126 | 119.8 | 146.8 | -81.5 | 167 | 0 | 0 | 0 | 107.3 | | |
| 54 | A | 36.3 | Very low | 38 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | | | trans | -71.1 | 147.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 55 | G | 33.4 | Very low | 38.5 | Very low | 72 Ų | 72 | 130.9 Ų | 130.9 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | -77.6 | -161.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 56 | P | 43.3 | Very low | 38.9 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | | -138.7 | 145.4 | 106.7 | 34.8 | -20.4 | 0 | 0 | 0 | 115.7 | | |
| 57 | T | 32.5 | Very low | 39.7 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | | | trans | 59.3 | 96.1 | 143.5 | 62.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 58 | I | 45.8 | Very low | 40.8 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | | | | 37.2 | 98.1 | 119.6 | -49.1 | 167.1 | 0 | 0 | 0 | 115.9 | E60 | I58-E60 HydrophobicContact CG2-CG 4.15Š|
| 59 | K | 35.8 | Very low | 42 | Very low | 207 Ų | 207 | 139.2 Ų | 139.2 | 90% | 0.9 | 76% | 0.762 | S | S | * | * | | | | -127.6 | 107.2 | 119.8 | -76.9 | -168.9 | 177.2 | -176.3 | 0 | 107.2 | E61 | K59-E61 PolarHBondContact O-N 3.38Å; K59-E61 VanDerWaalsContact O-N 3.15Å |
| 60 | E | 46.7 | Very low | 43.5 | Very low | 174 Ų | 174 | 139.7 Ų | 139.7 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | trans | -57.2 | 107.3 | 162.5 | -63.1 | 161.4 | 179.4 | 0 | 0 | 106.6 | I58 | I58-E60 HydrophobicContact CG2-CG 4.15Š|
| 61 | E | 40.4 | Very low | 45.5 | Very low | 177 Ų | 177 | 134.2 Ų | 134.2 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | | | trans | -124.9 | 107.4 | 151.5 | -162.4 | 165.5 | 105.8 | 0 | 0 | 107.1 | K59 C63 | K59-E61 PolarHBondContact O-N 3.38Å; K59-E61 VanDerWaalsContact O-N 3.15Å; E61-C63 PolarHBondContact O-N 2.96Å; E61-C63 VanDerWaalsContact O-N 3.12Å |
| 62 | D | 42.1 | Very low | 47.5 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | trans | -46.7 | 103.9 | 172.3 | -173.8 | -117.9 | 0 | 0 | 0 | 110.9 | | |
| 63 | C | 43 | Very low | 50.2 | Low | 124 Ų | 124 | 129.2 Ų | 129.2 | 84% | 0.838 | 71% | 0.71 | S | S | * | * | | | trans | -124.9 | 37.9 | 156.2 | -80.4 | 0 | 0 | 0 | 0 | 108.5 | E61 R65 | E61-C63 PolarHBondContact O-N 2.96Å; E61-C63 VanDerWaalsContact O-N 3.12Å; C63-R65 PolarHBondContact O-N 3.11Å |
| 64 | A | 41.5 | Very low | 52.5 | Low | 75 Ų | 75 | 125.3 Ų | 125.3 | 62% | 0.62 | 69% | 0.687 | S | S | * | * | | | trans | -80.8 | 111.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 65 | R | 43.7 | Very low | 55.3 | Low | 195 Ų | 195 | 128.8 Ų | 128.8 | 74% | 0.736 | 68% | 0.68 | S | S | * | * | | | trans | 87.2 | 80.3 | 163.7 | -150 | -178.7 | 177.7 | 170.2 | 0.1 | 114.2 | C63 K67 | C63-R65 PolarHBondContact O-N 3.11Å; R65-K67 HydrophobicContact CB-CG 4.41Å; R65-K67 HydrophobicContact CG-CG 3.6Å; R65-K67 PolarHBondContact O-N 3.46Å |
| 66 | E | 43.1 | Very low | 58.2 | Low | 195 Ų | 195 | 130.3 Ų | 130.3 | 91% | 0.911 | 67% | 0.67 | S | S | * | * | | | trans | -49.2 | 85.8 | 136.6 | -173.4 | -173.9 | -175.5 | 0 | 0 | 107.2 | D68 | E66-D68 PolarHBondContact O-N 3.33Å; E66-D68 VanDerWaalsContact O-N 3.16Å |
| 67 | K | 44.8 | Very low | 60.7 | Low | 129 Ų | 129 | 129.7 Ų | 129.7 | 56% | 0.561 | 66% | 0.66 | S | S | * | * | | | trans | -68.2 | 111.3 | 165.8 | -80 | -176.2 | 172.2 | 173.9 | 0 | 104 | R65 H69 | R65-K67 HydrophobicContact CB-CG 4.41Å; R65-K67 HydrophobicContact CG-CG 3.6Å; R65-K67 PolarHBondContact O-N 3.46Å; K67-H69 PolarHBondContact O-N 2.87Å; K67-H69 PolarHBondContact O-ND1 3.29Å; K67-H69 VanDerWaalsContact O-ND1 3.12Å |
| 68 | D | 54.4 | Low | 63.7 | Low | 158 Ų | 158 | 129 Ų | 129 | 85% | 0.845 | 66% | 0.661 | S | S | * | * | | | trans | -44.6 | 81.8 | 151.5 | -161.1 | -36.1 | 0 | 0 | 0 | 107.3 | E66 | E66-D68 PolarHBondContact O-N 3.33Å; E66-D68 VanDerWaalsContact O-N 3.16Å |
| 69 | H | 59.7 | Low | 66.1 | Low | 78 Ų | 78 | 133.7 Ų | 133.7 | 36% | 0.361 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -84.8 | 129.3 | 175.5 | 58.4 | -78.2 | 0 | 0 | 0 | 104 | K67 Q87 | K67-H69 PolarHBondContact O-N 2.87Å; K67-H69 PolarHBondContact O-ND1 3.29Å; K67-H69 VanDerWaalsContact O-ND1 3.12Å; H69-Q87 PolarHBondContact CD2-OE1 2.91Å; H69-Q87 PolarHBondContact CE1-OE1 3.02Å; H69-Q87 PolarHBondContact ND1-OE1 3.04Å; H69-Q87 PolarHBondContact NE2-OE1 3.25Å |
| 70 | P | 69.6 | Low | 68.9 | Low | 107 Ų | 107 | 126.6 Ų | 126.6 | 70% | 0.695 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 141.4 | 171.3 | -23.1 | 32 | 0 | 0 | 0 | 109.1 | E72 | P70-E72 PolarHBondContact O-N 3.09Š|
| 71 | P | 79.4 | Confident | 71.3 | Confident | 51 Ų | 51 | 120.8 Ų | 120.8 | 33% | 0.331 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -47.1 | 132 | 175.6 | -27 | 33 | 0 | 0 | 0 | 110.3 | A73 T84 Y85 | P71-A73 PolarHBondContact O-N 3.02Å; P71-A73 VanDerWaalsContact O-N 3.1Å; P71-T84 WeakPolarHBondContact CA-O 3.37Å; P71-T84 WeakPolarHBondContact CB-O 3.37Å; P71-Y85 HydrophobicContact CB-CD1 3.87Å; P71-Y85 HydrophobicContact CB-CE1 3.75Å; P71-Y85 HydrophobicContact CB-CG 4.41Å; P71-Y85 HydrophobicContact CG-CD1 3.6Å; P71-Y85 HydrophobicContact CG-CE1 3.35Å |
| 72 | E | 83.4 | Confident | 73.9 | Confident | 124 Ų | 124 | 116 Ų | 116 | 58% | 0.579 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -64.2 | 117.1 | -178.4 | -174.8 | 179.4 | -179.8 | 0 | 0 | 108.4 | P70 F83 T84 | P70-E72 PolarHBondContact O-N 3.09Å; E72-F83 CarbonylContact O-C 3.57Å; E72-F83 WeakPolarHBondContact O-CA 3.47Å; E72-T84 PolarHBondContact N-O 2.84Å; E72-T84 VanDerWaalsContact N-O 3.11Å; E72-T84 PolarHBondContact O-N 3.19Å |
| 73 | A | 91.1 | Very high | 76.4 | Confident | 48 Ų | 48 | 114.5 Ų | 114.5 | 40% | 0.397 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.2 | 108.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P71 L82 F83 | P71-A73 PolarHBondContact O-N 3.02Å; P71-A73 VanDerWaalsContact O-N 3.1Å; A73-L82 CarbonylContact C-O 3.54Å; A73-L82 VanDerWaalsContact CA-O 3.31Å; A73-L82 WeakPolarHBondContact CA-O 3.49Å; A73-F83 HydrophobicContact CB-CD1 3.74Å; A73-F83 HydrophobicContact CB-CE1 3.59Å; A73-F83 HydrophobicContact CB-CZ 4.5Å |
| 74 | E | 91.8 | Very high | 78.8 | Confident | 99 Ų | 99 | 109.8 Ų | 109.8 | 46% | 0.463 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106 | 126.9 | 178.3 | -170.7 | -176.7 | 172.1 | 0 | 0 | 110.3 | L76 V81 L82 | E74-L76 HydrophobicContact CG-CD2 4.17Å; E74-V81 CarbonylContact O-C 3.53Å; E74-V81 WeakPolarHBondContact O-CA 3.31Å; E74-L82 HydrophobicContact CB-CB 4.4Å; E74-L82 PolarHBondContact N-O 3.39Å; E74-L82 PolarHBondContact O-N 2.96Å |
| 75 | Y | 95.3 | Very high | 81.3 | Confident | 176 Ų | 176 | 114.6 Ų | 114.6 | 69% | 0.69 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 107.2 | 177.4 | -77.2 | -100.6 | 0 | 0 | 0 | 110.1 | V81 | Y75-V81 HydrophobicContact CD1-CB 4.48Å; Y75-V81 HydrophobicContact CD1-CG1 4.36Å; Y75-V81 HydrophobicContact CD1-CG2 3.49Å; Y75-V81 VanDerWaalsContact CD1-CG2 3.49Å; Y75-V81 HydrophobicContact CD2-CG1 4.22Å; Y75-V81 HydrophobicContact CE1-CB 4.44Å; Y75-V81 HydrophobicContact CE1-CG1 4.22Å; Y75-V81 HydrophobicContact CE1-CG2 3.36Å; Y75-V81 HydrophobicContact CE2-CG1 4.07Å; Y75-V81 HydrophobicContact CG-CG1 4.35Å; Y75-V81 HydrophobicContact CG-CG2 4.22Å |
| 76 | L | 95.8 | Very high | 83.6 | Confident | 103 Ų | 103 | 109.3 Ų | 109.3 | 54% | 0.539 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -41.1 | 178.9 | -58.7 | 179.9 | 0 | 0 | 0 | 112 | E74 C80 | E74-L76 HydrophobicContact CG-CD2 4.17Å; L76-C80 HydrophobicContact CB-CB 4.3Å; L76-C80 PolarHBondContact N-O 2.79Å |
| 77 | N | 94.4 | Very high | 85.8 | Confident | 104 Ų | 104 | 106.4 Ų | 106.4 | 56% | 0.556 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 168.3 | 176.9 | -176.7 | 1.6 | 0 | 0 | 0 | 109.3 | R79 C80 | N77-R79 PolarHBondContact O-N 3.01Å; N77-C80 PolarHBondContact N-O 3.1Å; N77-C80 PolarHBondContact O-N 2.83Å |
| 78 | S | 95 | Very high | 87.9 | Confident | 112 Ų | 112 | 102.7 Ų | 102.7 | 78% | 0.783 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.3 | -22 | 169 | 60.3 | 0 | 0 | 0 | 0 | 116 | | |
| 79 | R | 96.2 | Very high | 89.8 | Confident | 236 Ų | 236 | 99.7 Ų | 99.7 | 89% | 0.891 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | -0.2 | 179.8 | -62.3 | -175.1 | 179.5 | 167.7 | 0.1 | 114.3 | N77 | N77-R79 PolarHBondContact O-N 3.01Š|
| 80 | C | 95.8 | Very high | 91.5 | Very high | 58 Ų | 58 | 101.2 Ų | 101.2 | 39% | 0.392 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 120.6 | -173.3 | -170.2 | 0 | 0 | 0 | 0 | 111.3 | L76 N77 | L76-C80 HydrophobicContact CB-CB 4.3Å; L76-C80 PolarHBondContact N-O 2.79Å; N77-C80 PolarHBondContact N-O 3.1Å; N77-C80 PolarHBondContact O-N 2.83Å |
| 81 | V | 96.6 | Very high | 92.8 | Very high | 51 Ų | 51 | 99.2 Ų | 99.2 | 31% | 0.309 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 127.2 | 171.6 | -170.5 | 0 | 0 | 0 | 0 | 106.6 | E74 Y75 F83 | E74-V81 CarbonylContact O-C 3.53Å; E74-V81 WeakPolarHBondContact O-CA 3.31Å; Y75-V81 HydrophobicContact CD1-CB 4.48Å; Y75-V81 HydrophobicContact CD1-CG1 4.36Å; Y75-V81 HydrophobicContact CD1-CG2 3.49Å; Y75-V81 VanDerWaalsContact CD1-CG2 3.49Å; Y75-V81 HydrophobicContact CD2-CG1 4.22Å; Y75-V81 HydrophobicContact CE1-CB 4.44Å; Y75-V81 HydrophobicContact CE1-CG1 4.22Å; Y75-V81 HydrophobicContact CE1-CG2 3.36Å; Y75-V81 HydrophobicContact CE2-CG1 4.07Å; Y75-V81 HydrophobicContact CG-CG1 4.35Å; Y75-V81 HydrophobicContact CG-CG2 4.22Å; V81-F83 HydrophobicContact CB-CE2 4.04Å; V81-F83 HydrophobicContact CB-CZ 4.42Å; V81-F83 HydrophobicContact CG1-CD2 4.37Å; V81-F83 HydrophobicContact CG1-CE1 4.34Å; V81-F83 HydrophobicContact CG1-CE2 3.73Å; V81-F83 HydrophobicContact CG1-CZ 3.71Å |
| 82 | L | 95.4 | Very high | 93.6 | Very high | 78 Ų | 78 | 99.8 Ų | 99.8 | 41% | 0.408 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 127.4 | 177.1 | 177.5 | 62.1 | 0 | 0 | 0 | 108.7 | A73 E74 | A73-L82 CarbonylContact C-O 3.54Å; A73-L82 VanDerWaalsContact CA-O 3.31Å; A73-L82 WeakPolarHBondContact CA-O 3.49Å; E74-L82 HydrophobicContact CB-CB 4.4Å; E74-L82 PolarHBondContact N-O 3.39Å; E74-L82 PolarHBondContact O-N 2.96Å |
| 83 | F | 94.5 | Very high | 94.2 | Very high | 104 Ų | 104 | 96.1 Ų | 96.1 | 46% | 0.456 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 117.1 | 172.8 | -64.4 | -86.1 | 0 | 0 | 0 | 109 | E72 A73 V81 Y85 | E72-F83 CarbonylContact O-C 3.57Å; E72-F83 WeakPolarHBondContact O-CA 3.47Å; A73-F83 HydrophobicContact CB-CD1 3.74Å; A73-F83 HydrophobicContact CB-CE1 3.59Å; A73-F83 HydrophobicContact CB-CZ 4.5Å; V81-F83 HydrophobicContact CB-CE2 4.04Å; V81-F83 HydrophobicContact CB-CZ 4.42Å; V81-F83 HydrophobicContact CG1-CD2 4.37Å; V81-F83 HydrophobicContact CG1-CE1 4.34Å; V81-F83 HydrophobicContact CG1-CE2 3.73Å; V81-F83 HydrophobicContact CG1-CZ 3.71Å; F83-Y85 HydrophobicContact CB-CD2 4.45Å; F83-Y85 HydrophobicContact CB-CE2 3.67Å; F83-Y85 WeakPolarHBondContact O-CD2 3.33Å |
| 84 | T | 93.9 | Very high | 94.4 | Very high | 25 Ų | 25 | 96.8 Ų | 96.8 | 15% | 0.153 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 124.2 | 178.2 | -59.3 | 0 | 0 | 0 | 0 | 109.7 | P71 E72 F86 | P71-T84 WeakPolarHBondContact CA-O 3.37Å; P71-T84 WeakPolarHBondContact CB-O 3.37Å; E72-T84 PolarHBondContact N-O 2.84Å; E72-T84 VanDerWaalsContact N-O 3.11Å; E72-T84 PolarHBondContact O-N 3.19Å; T84-F86 HydrophobicContact CG2-CD1 3.73Å; T84-F86 HydrophobicContact CG2-CD2 4.34Å; T84-F86 HydrophobicContact CG2-CE1 3.44Å; T84-F86 VanDerWaalsContact CG2-CE1 3.44Å; T84-F86 HydrophobicContact CG2-CE2 4.08Å; T84-F86 HydrophobicContact CG2-CG 4.15Å; T84-F86 HydrophobicContact CG2-CZ 3.58Å |
| 85 | Y | 93.2 | Very high | 94.6 | Very high | 176 Ų | 176 | 97 Ų | 97 | 69% | 0.69 | 50% | 0.503 | S | S | * | . | | | trans | -109 | -10.6 | -176.1 | -67 | -89.6 | 0 | 0 | 0 | 113.6 | P71 F83 | P71-Y85 HydrophobicContact CB-CD1 3.87Å; P71-Y85 HydrophobicContact CB-CE1 3.75Å; P71-Y85 HydrophobicContact CB-CG 4.41Å; P71-Y85 HydrophobicContact CG-CD1 3.6Å; P71-Y85 HydrophobicContact CG-CE1 3.35Å; F83-Y85 HydrophobicContact CB-CD2 4.45Å; F83-Y85 HydrophobicContact CB-CE2 3.67Å; F83-Y85 WeakPolarHBondContact O-CD2 3.33Å |
| 86 | F | 91.6 | Very high | 94.6 | Very high | 83 Ų | 83 | 93 Ų | 93 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | | | trans | -92.2 | 150.7 | 173.1 | 67.8 | -94.9 | 0 | 0 | 0 | 109 | T84 I90 V93 | T84-F86 HydrophobicContact CG2-CD1 3.73Å; T84-F86 HydrophobicContact CG2-CD2 4.34Å; T84-F86 HydrophobicContact CG2-CE1 3.44Å; T84-F86 VanDerWaalsContact CG2-CE1 3.44Å; T84-F86 HydrophobicContact CG2-CE2 4.08Å; T84-F86 HydrophobicContact CG2-CG 4.15Å; T84-F86 HydrophobicContact CG2-CZ 3.58Å; F86-I90 HydrophobicContact CE2-CG1 3.85Å; F86-I90 HydrophobicContact CZ-CG1 3.66Å; F86-V93 HydrophobicContact CB-CG1 4.14Å; F86-V93 HydrophobicContact CB-CG2 4.12Å; F86-V93 HydrophobicContact CD2-CB 4.42Å; F86-V93 HydrophobicContact CD2-CG2 3.79Å; F86-V93 HydrophobicContact CG-CG1 4.2Å; F86-V93 HydrophobicContact CG-CG2 4.13Å |
| 87 | Q | 90.1 | Very high | 94.6 | Very high | 135 Ų | 135 | 94 Ų | 94 | 63% | 0.631 | 49% | 0.493 | S | S | * | . | | | trans | -112.9 | 134 | 175.5 | -174.5 | 69 | 90.7 | 0 | 0 | 108.9 | H69 | H69-Q87 PolarHBondContact CD2-OE1 2.91Å; H69-Q87 PolarHBondContact CE1-OE1 3.02Å; H69-Q87 PolarHBondContact ND1-OE1 3.04Å; H69-Q87 PolarHBondContact NE2-OE1 3.25Å |
| 88 | G | 88.9 | Confident | 94.7 | Very high | 51 Ų | 51 | 94.5 Ų | 94.5 | 53% | 0.526 | 49% | 0.49 | S | S | . | . | S | Bend | trans | 114.8 | -161.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 89 | D | 94.8 | Very high | 94.6 | Very high | 95 Ų | 95 | 92 Ų | 92 | 51% | 0.508 | 47% | 0.472 | S | S | . | . | | | trans | -72.3 | 139.4 | 177.1 | -177 | 28.2 | 0 | 0 | 0 | 111.3 | S91 S92 V93 | D89-S91 VanDerWaalsContact C-N 3.27Å; D89-S91 PolarHBondContact O-N 3.28Å; D89-S91 PolarHBondContact OD1-N 3.11Å; D89-S91 WeakPolarHBondContact OD2-CB 3.44Å; D89-S91 PolarHBondContact OD2-OG 3.34Å; D89-S91 VanDerWaalsContact OD2-OG 3.05Å; D89-S92 PolarHBondContact O-N 2.67Å; D89-S92 PolarHBondContact O-OG 2.91Å; D89-V93 WeakPolarHBondContact O-CG2 3.48Å; D89-V93 PolarHBondContact O-N 2.73Å |
| 90 | I | 95.1 | Very high | 94.5 | Very high | 109 Ų | 109 | 88.6 Ų | 88.6 | 56% | 0.559 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.4 | -41 | 178.8 | -61.4 | 166.9 | 0 | 0 | 0 | 109.7 | F86 S92 V93 V94 | F86-I90 HydrophobicContact CE2-CG1 3.85Å; F86-I90 HydrophobicContact CZ-CG1 3.66Å; I90-S92 VanDerWaalsContact C-N 3.33Å; I90-S92 PolarHBondContact O-N 2.85Å; I90-V93 PolarHBondContact O-N 3.11Å; I90-V94 HydrophobicContact CG2-CG2 4.06Å; I90-V94 WeakPolarHBondContact O-CB 3.24Å; I90-V94 VanDerWaalsContact O-CG2 3.26Å; I90-V94 WeakPolarHBondContact O-CG2 3.38Å; I90-V94 PolarHBondContact O-N 2.65Å |
| 91 | S | 96.8 | Very high | 94.3 | Very high | 65 Ų | 65 | 88.4 Ų | 88.4 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | -175.7 | -37.1 | 0 | 0 | 0 | 0 | 111.3 | D89 V94 D95 | D89-S91 VanDerWaalsContact C-N 3.27Å; D89-S91 PolarHBondContact O-N 3.28Å; D89-S91 PolarHBondContact OD1-N 3.11Å; D89-S91 WeakPolarHBondContact OD2-CB 3.44Å; D89-S91 PolarHBondContact OD2-OG 3.34Å; D89-S91 VanDerWaalsContact OD2-OG 3.05Å; S91-V94 PolarHBondContact O-N 2.81Å; S91-D95 VanDerWaalsContact O-CB 3.28Å; S91-D95 WeakPolarHBondContact O-CB 3.41Å; S91-D95 VanDerWaalsContact O-CG 3.28Å; S91-D95 PolarHBondContact O-N 2.8Å |
| 92 | S | 95.8 | Very high | 94.1 | Very high | 64 Ų | 64 | 92.2 Ų | 92.2 | 45% | 0.448 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.3 | -39.2 | 179.9 | 63.3 | 0 | 0 | 0 | 0 | 112.7 | D89 I90 V94 D95 E96 | D89-S92 PolarHBondContact O-N 2.67Å; D89-S92 PolarHBondContact O-OG 2.91Å; I90-S92 VanDerWaalsContact C-N 3.33Å; I90-S92 PolarHBondContact O-N 2.85Å; S92-V94 VanDerWaalsContact C-N 3.35Å; S92-D95 PolarHBondContact O-N 2.7Å; S92-E96 VanDerWaalsContact O-CB 3.28Å; S92-E96 WeakPolarHBondContact O-CB 3.38Å; S92-E96 PolarHBondContact O-N 3.16Å |
| 93 | V | 95.9 | Very high | 93.5 | Very high | 46 Ų | 46 | 94.2 Ų | 94.2 | 28% | 0.279 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 176.1 | 174.6 | 0 | 0 | 0 | 0 | 111 | F86 D89 I90 H97 | F86-V93 HydrophobicContact CB-CG1 4.14Å; F86-V93 HydrophobicContact CB-CG2 4.12Å; F86-V93 HydrophobicContact CD2-CB 4.42Å; F86-V93 HydrophobicContact CD2-CG2 3.79Å; F86-V93 HydrophobicContact CG-CG1 4.2Å; F86-V93 HydrophobicContact CG-CG2 4.13Å; D89-V93 WeakPolarHBondContact O-CG2 3.48Å; D89-V93 PolarHBondContact O-N 2.73Å; I90-V93 PolarHBondContact O-N 3.11Å; V93-H97 PolarHBondContact O-N 2.99Å; V93-H97 VanDerWaalsContact O-N 3.08Å |
| 94 | V | 96.5 | Very high | 92.4 | Very high | 63 Ų | 63 | 95.5 Ų | 95.5 | 38% | 0.382 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.7 | -48.4 | 175 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | I90 S91 S92 E96 H97 F98 | I90-V94 HydrophobicContact CG2-CG2 4.06Å; I90-V94 WeakPolarHBondContact O-CB 3.24Å; I90-V94 VanDerWaalsContact O-CG2 3.26Å; I90-V94 WeakPolarHBondContact O-CG2 3.38Å; I90-V94 PolarHBondContact O-N 2.65Å; S91-V94 PolarHBondContact O-N 2.81Å; S92-V94 VanDerWaalsContact C-N 3.35Å; V94-E96 VanDerWaalsContact C-N 3.3Å; V94-E96 PolarHBondContact O-N 2.95Å; V94-H97 WeakPolarHBondContact O-CA 3.5Å; V94-H97 VanDerWaalsContact O-CB 3.3Å; V94-H97 WeakPolarHBondContact O-CB 3.26Å; V94-H97 PolarHBondContact O-N 2.87Å; V94-F98 HydrophobicContact CG1-CD2 3.64Å; V94-F98 HydrophobicContact CG1-CE2 3.57Å; V94-F98 VanDerWaalsContact O-CD2 3.29Å; V94-F98 WeakPolarHBondContact O-CD2 3.18Å; V94-F98 PolarHBondContact O-N 3.12Å |
| 95 | D | 95.9 | Very high | 90.9 | Very high | 102 Ų | 102 | 99.6 Ų | 99.6 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.6 | -37 | 178.8 | -80.1 | -4.7 | 0 | 0 | 0 | 112.3 | S91 S92 F98 S99 | S91-D95 VanDerWaalsContact O-CB 3.28Å; S91-D95 WeakPolarHBondContact O-CB 3.41Å; S91-D95 VanDerWaalsContact O-CG 3.28Å; S91-D95 PolarHBondContact O-N 2.8Å; S92-D95 PolarHBondContact O-N 2.7Å; D95-F98 PolarHBondContact O-N 3.28Å; D95-S99 WeakPolarHBondContact O-CB 3.2Å; D95-S99 PolarHBondContact O-N 2.73Å; D95-S99 PolarHBondContact O-OG 3.37Å |
| 96 | E | 95.6 | Very high | 89 | Confident | 92 Ų | 92 | 97.2 Ų | 97.2 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 171.9 | 179.7 | -175.2 | 130.8 | 0 | 0 | 111.2 | S92 V94 S99 R100 | S92-E96 VanDerWaalsContact O-CB 3.28Å; S92-E96 WeakPolarHBondContact O-CB 3.38Å; S92-E96 PolarHBondContact O-N 3.16Å; V94-E96 VanDerWaalsContact C-N 3.3Å; V94-E96 PolarHBondContact O-N 2.95Å; E96-S99 PolarHBondContact O-N 3.27Å; E96-R100 VanDerWaalsContact CD-NH2 3.34Å; E96-R100 WeakPolarHBondContact O-CB 3.23Å; E96-R100 VanDerWaalsContact O-CG 3.31Å; E96-R100 WeakPolarHBondContact O-CG 3.3Å; E96-R100 PolarHBondContact O-N 3.05Å; E96-R100 IonicContact OE1-CZ 3.76Å; E96-R100 IonicContact OE1-NE 3.84Å; E96-R100 IonicContact OE1-NH1 2.7Å; E96-R100 PolarHBondContact OE1-NH1 3.23Å; E96-R100 IonicContact OE1-NH2 3.94Å; E96-R100 PolarHBondContact OE1-NH2 3.48Å |
| 97 | H | 95.1 | Very high | 87.2 | Confident | 126 Ų | 126 | 97.8 Ų | 97.8 | 58% | 0.583 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.2 | -49.3 | 175.5 | 176.6 | 88.6 | 0 | 0 | 0 | 111.6 | V93 V94 R100 A101 | V93-H97 PolarHBondContact O-N 2.99Å; V93-H97 VanDerWaalsContact O-N 3.08Å; V94-H97 WeakPolarHBondContact O-CA 3.5Å; V94-H97 VanDerWaalsContact O-CB 3.3Å; V94-H97 WeakPolarHBondContact O-CB 3.26Å; V94-H97 PolarHBondContact O-N 2.87Å; H97-R100 PolarHBondContact O-N 3.02Å; H97-A101 WeakPolarHBondContact O-CB 3.46Å; H97-A101 PolarHBondContact O-N 2.99Å |
| 98 | F | 95.8 | Very high | 85.4 | Confident | 114 Ų | 114 | 100.4 Ų | 100.4 | 50% | 0.5 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 177.4 | -85.1 | -84.2 | 0 | 0 | 0 | 111.9 | V94 D95 R100 A101 L102 | V94-F98 HydrophobicContact CG1-CD2 3.64Å; V94-F98 HydrophobicContact CG1-CE2 3.57Å; V94-F98 VanDerWaalsContact O-CD2 3.29Å; V94-F98 WeakPolarHBondContact O-CD2 3.18Å; V94-F98 PolarHBondContact O-N 3.12Å; D95-F98 PolarHBondContact O-N 3.28Å; F98-R100 VanDerWaalsContact C-N 3.33Å; F98-R100 PolarHBondContact O-N 3.46Å; F98-A101 PolarHBondContact O-N 3.32Å; F98-L102 HydrophobicContact CD1-CD1 4.48Å; F98-L102 WeakPolarHBondContact O-CB 3.42Å; F98-L102 WeakPolarHBondContact O-CG 3.29Å; F98-L102 PolarHBondContact O-N 3.37Å |
| 99 | S | 94.5 | Very high | 83.3 | Confident | 58 Ų | 58 | 102.9 Ų | 102.9 | 41% | 0.406 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58.3 | -45.2 | 176.3 | -64.6 | 0 | 0 | 0 | 0 | 110.9 | D95 E96 N103 | D95-S99 WeakPolarHBondContact O-CB 3.2Å; D95-S99 PolarHBondContact O-N 2.73Å; D95-S99 PolarHBondContact O-OG 3.37Å; E96-S99 PolarHBondContact O-N 3.27Å; S99-N103 WeakPolarHBondContact O-CA 3.28Å; S99-N103 WeakPolarHBondContact O-CB 3.28Å; S99-N103 PolarHBondContact O-N 2.89Å; S99-N103 PolarHBondContact O-ND2 3.38Å |
| 100 | R | 92.3 | Very high | 81 | Confident | 165 Ų | 165 | 104.6 Ų | 104.6 | 62% | 0.623 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.9 | -38.5 | 175.9 | -73.2 | 174.2 | 175.2 | 160.5 | 8 | 113.3 | E96 H97 F98 Q104 | E96-R100 VanDerWaalsContact CD-NH2 3.34Å; E96-R100 WeakPolarHBondContact O-CB 3.23Å; E96-R100 VanDerWaalsContact O-CG 3.31Å; E96-R100 WeakPolarHBondContact O-CG 3.3Å; E96-R100 PolarHBondContact O-N 3.05Å; E96-R100 IonicContact OE1-CZ 3.76Å; E96-R100 IonicContact OE1-NE 3.84Å; E96-R100 IonicContact OE1-NH1 2.7Å; E96-R100 PolarHBondContact OE1-NH1 3.23Å; E96-R100 IonicContact OE1-NH2 3.94Å; E96-R100 PolarHBondContact OE1-NH2 3.48Å; H97-R100 PolarHBondContact O-N 3.02Å; F98-R100 VanDerWaalsContact C-N 3.33Å; F98-R100 PolarHBondContact O-N 3.46Å; R100-Q104 PolarHBondContact O-NE2 3.46Å; R100-Q104 VanDerWaalsContact O-NE2 3.11Å |
| 101 | A | 93.3 | Very high | 78.9 | Confident | 55 Ų | 55 | 102.6 Ų | 102.6 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.7 | -34.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | H97 F98 Q104 | H97-A101 WeakPolarHBondContact O-CB 3.46Å; H97-A101 PolarHBondContact O-N 2.99Å; F98-A101 PolarHBondContact O-N 3.32Å; A101-Q104 WeakPolarHBondContact O-CG 3.31Å |
| 102 | L | 90.9 | Very high | 76.1 | Confident | 131 Ų | 131 | 104 Ų | 104 | 69% | 0.686 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -96.5 | -30.4 | -175.2 | -63.4 | 178 | 0 | 0 | 0 | 113.8 | F98 Q104 | F98-L102 HydrophobicContact CD1-CD1 4.48Å; F98-L102 WeakPolarHBondContact O-CB 3.42Å; F98-L102 WeakPolarHBondContact O-CG 3.29Å; F98-L102 PolarHBondContact O-N 3.37Å; L102-Q104 PolarHBondContact O-N 3.4Å |
| 103 | N | 82.8 | Confident | 74 | Confident | 120 Ų | 120 | 107.6 Ų | 107.6 | 64% | 0.642 | 61% | 0.606 | S | S | * | * | | | trans | -75.6 | 25.8 | 177.1 | -66.1 | -33.9 | 0 | 0 | 0 | 112.9 | S99 P105 | S99-N103 WeakPolarHBondContact O-CA 3.28Å; S99-N103 WeakPolarHBondContact O-CB 3.28Å; S99-N103 PolarHBondContact O-N 2.89Å; S99-N103 PolarHBondContact O-ND2 3.38Å; N103-P105 WeakPolarHBondContact O-CD 3.43Å |
| 104 | Q | 72.1 | Confident | 71.7 | Confident | 131 Ų | 131 | 109.7 Ų | 109.7 | 61% | 0.612 | 62% | 0.622 | S | S | * | * | | | trans | -60.9 | 112.7 | 169 | -65.7 | -62.9 | -40.4 | 0 | 0 | 107.1 | R100 A101 L102 T106 | R100-Q104 PolarHBondContact O-NE2 3.46Å; R100-Q104 VanDerWaalsContact O-NE2 3.11Å; A101-Q104 WeakPolarHBondContact O-CG 3.31Å; L102-Q104 PolarHBondContact O-N 3.4Å; Q104-T106 PolarHBondContact O-N 3.49Å |
| 105 | P | 61.2 | Low | 68.9 | Low | 110 Ų | 110 | 113.4 Ų | 113.4 | 71% | 0.714 | 64% | 0.64 | S | S | * | * | | | trans | -55.3 | 120.3 | 171.4 | -16.7 | 29.9 | 0 | 0 | 0 | 105.4 | N103 S107 | N103-P105 WeakPolarHBondContact O-CD 3.43Å; P105-S107 PolarHBondContact O-N 3.31Å |
| 106 | T | 55.2 | Low | 66.7 | Low | 126 Ų | 126 | 117.4 Ų | 117.4 | 77% | 0.773 | 65% | 0.652 | S | S | * | * | | | trans | -57.8 | 83.5 | 179.3 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | Q104 Y108 | Q104-T106 PolarHBondContact O-N 3.49Å; T106-Y108 VanDerWaalsContact C-N 3.25Å |
| 107 | S | 52.6 | Low | 64.3 | Low | 96 Ų | 96 | 118.6 Ų | 118.6 | 67% | 0.671 | 67% | 0.671 | S | S | * | * | | | trans | -101.3 | 36.1 | 170.6 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | P105 V109 | P105-S107 PolarHBondContact O-N 3.31Å; S107-V109 PolarHBondContact O-N 3.4Å; S107-V109 VanDerWaalsContact O-N 3.16Å |
| 108 | Y | 51.8 | Low | 62.1 | Low | 190 Ų | 190 | 116.7 Ų | 116.7 | 75% | 0.745 | 68% | 0.677 | S | S | * | * | | | trans | -82.3 | 66.3 | 158.6 | -76.7 | -84.6 | 0 | 0 | 0 | 108.3 | T106 P110 | T106-Y108 VanDerWaalsContact C-N 3.25Å; Y108-P110 VanDerWaalsContact O-CD 3.3Å; Y108-P110 WeakPolarHBondContact O-CD 3.47Å |
| 109 | V | 44.8 | Very low | 60 | Low | 102 Ų | 102 | 121.5 Ų | 121.5 | 62% | 0.618 | 69% | 0.692 | S | S | * | * | | | trans | -101.1 | 95.6 | 156.5 | -179.2 | 0 | 0 | 0 | 0 | 106.2 | S107 G111 | S107-V109 PolarHBondContact O-N 3.4Å; S107-V109 VanDerWaalsContact O-N 3.16Å; V109-G111 VanDerWaalsContact C-N 3.28Å; V109-G111 PolarHBondContact O-N 3.38Å |
| 110 | P | 47.1 | Very low | 58.2 | Low | 131 Ų | 131 | 126.5 Ų | 126.5 | 85% | 0.851 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -73.6 | 89.8 | 172.9 | 30.1 | -29.8 | 0 | 0 | 0 | 107.6 | Y108 | Y108-P110 VanDerWaalsContact O-CD 3.3Å; Y108-P110 WeakPolarHBondContact O-CD 3.47Å |
| 111 | G | 51.8 | Low | 56.9 | Low | 67 Ų | 67 | 121.7 Ų | 121.7 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | | | trans | 119.6 | 78.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | V109 | V109-G111 VanDerWaalsContact C-N 3.28Å; V109-G111 PolarHBondContact O-N 3.38Å |
| 112 | S | 37.4 | Very low | 56 | Low | 96 Ų | 96 | 124.3 Ų | 124.3 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | | | trans | -151.8 | 117.6 | 144.1 | -166.6 | 0 | 0 | 0 | 0 | 109.2 | S114 | S112-S114 PolarHBondContact O-N 3.46Š|
| 113 | V | 51.1 | Low | 55.5 | Low | 139 Ų | 139 | 125.2 Ų | 125.2 | 84% | 0.842 | 73% | 0.727 | S | S | * | * | | | trans | -56.8 | 130.2 | 163.2 | -75.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 114 | S | 47.2 | Very low | 55.7 | Low | 89 Ų | 89 | 121.7 Ų | 121.7 | 62% | 0.622 | 71% | 0.71 | S | S | * | * | | | trans | 77.3 | 100.4 | 177.4 | -165.8 | 0 | 0 | 0 | 0 | 116.5 | S112 | S112-S114 PolarHBondContact O-N 3.46Š|
| 115 | N | 38 | Very low | 56.5 | Low | 141 Ų | 141 | 119.4 Ų | 119.4 | 75% | 0.754 | 70% | 0.701 | S | S | * | * | | | | -158.4 | 116.7 | 105.8 | -95.8 | -6.9 | 0 | 0 | 0 | 112.6 | S117 | N115-S117 VanDerWaalsContact C-N 3.29Å; N115-S117 PolarHBondContact O-N 2.95Å |
| 116 | K | 49.5 | Very low | 57.7 | Low | 186 Ų | 186 | 118.1 Ų | 118.1 | 81% | 0.809 | 69% | 0.694 | S | S | * | * | | | trans | -56 | 68.1 | 167.1 | 47.7 | 179.1 | 174.5 | -178.3 | 0 | 113.3 | | |
| 117 | S | 45.9 | Very low | 59.3 | Low | 117 Ų | 117 | 118.5 Ų | 118.5 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | | | trans | -166.5 | 30.2 | 163.1 | -162.5 | 0 | 0 | 0 | 0 | 115.3 | N115 | N115-S117 VanDerWaalsContact C-N 3.29Å; N115-S117 PolarHBondContact O-N 2.95Å |
| 118 | A | 49.7 | Very low | 61.1 | Low | 86 Ų | 86 | 119.2 Ų | 119.2 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | | | trans | -133.3 | 51.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 119 | R | 52 | Low | 62.9 | Low | 215 Ų | 215 | 116.4 Ų | 116.4 | 81% | 0.811 | 68% | 0.683 | S | S | * | * | | | trans | -108.3 | 111.9 | 174.2 | -74.6 | -175.1 | -166.6 | 170.4 | 3 | 106.2 | | |
| 120 | D | 55.1 | Low | 65.3 | Low | 163 Ų | 163 | 115.3 Ų | 115.3 | 87% | 0.872 | 67% | 0.67 | S | S | * | * | | | trans | 158.1 | 1.7 | 157.3 | -77.2 | -13.3 | 0 | 0 | 0 | 110.9 | | |
| 121 | G | 64.7 | Low | 67.4 | Low | 64 Ų | 64 | 112.5 Ų | 112.5 | 66% | 0.66 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -73.6 | 131 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 122 | P | 74.5 | Confident | 69.1 | Low | 110 Ų | 110 | 113.6 Ų | 113.6 | 71% | 0.714 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 142.6 | 174 | -21 | 30.8 | 0 | 0 | 0 | 111.4 | | |
| 123 | F | 81.5 | Confident | 71.7 | Confident | 150 Ų | 150 | 111.5 Ų | 111.5 | 66% | 0.658 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -56 | 134 | 171.9 | -63.7 | -78.7 | 0 | 0 | 0 | 110.4 | R128 | F123-R128 PolarHBondContact O-NE 3.37Å; F123-R128 PolarHBondContact O-NH2 2.92Å |
| 124 | P | 87.4 | Confident | 73.8 | Confident | 46 Ų | 46 | 109.7 Ų | 109.7 | 30% | 0.299 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 146.5 | 176.8 | 27.4 | -35.5 | 0 | 0 | 0 | 109 | S126 Q127 | P124-S126 PolarHBondContact O-N 3.05Å; P124-Q127 HydrophobicContact CG-CB 4.11Å; P124-Q127 VanDerWaalsContact CG-CD 3.47Å; P124-Q127 HydrophobicContact CG-CG 3.72Å; P124-Q127 PolarHBondContact O-N 3.4Å |
| 125 | M | 88.4 | Confident | 76 | Confident | 83 Ų | 83 | 112.3 Ų | 112.3 | 41% | 0.409 | 61% | 0.61 | S | S | . | * | G | 310 helix | trans | -58.5 | -28 | -175.4 | -162.7 | 72.1 | 65.9 | 0 | 0 | 111.9 | Q127 R128 F130 F134 W135 | M125-Q127 VanDerWaalsContact C-N 3.32Å; M125-Q127 PolarHBondContact O-N 3.1Å; M125-R128 WeakPolarHBondContact O-CB 3.32Å; M125-R128 PolarHBondContact O-N 3.31Å; M125-F130 HydrophobicContact CG-CD2 4.24Å; M125-F130 HydrophobicContact CG-CE2 3.73Å; M125-F130 HydrophobicContact CG-CZ 4.5Å; M125-F130 HydrophobicContact SD-CD2 4.28Å; M125-F130 HydrophobicContact SD-CE2 3.23Å; M125-F130 WeakPolarHBondContact SD-CE2 3.38Å; M125-F130 HydrophobicContact SD-CZ 3.56Å; M125-F130 VanDerWaalsContact SD-CZ 3.56Å; M125-F134 HydrophobicContact CG-CE1 3.69Å; M125-F134 HydrophobicContact CG-CZ 3.89Å; M125-F134 HydrophobicContact SD-CZ 4.26Å; M125-W135 HydrophobicContact CB-CH2 3.72Å; M125-W135 HydrophobicContact CB-CZ2 3.95Å; M125-W135 HydrophobicContact CG-CH2 3.73Å; M125-W135 HydrophobicContact CG-CZ2 3.76Å |
| 126 | S | 86.2 | Confident | 78.5 | Confident | 83 Ų | 83 | 109.5 Ų | 109.5 | 58% | 0.58 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -67.2 | -23.2 | 176.2 | 57.1 | 0 | 0 | 0 | 0 | 115 | P124 R128 | P124-S126 PolarHBondContact O-N 3.05Å; S126-R128 VanDerWaalsContact C-N 3.34Å |
| 127 | Q | 88.1 | Confident | 80.4 | Confident | 134 Ų | 134 | 107 Ų | 107 | 63% | 0.626 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -88.5 | -5.6 | 176.3 | -72.8 | 177.4 | 2.7 | 0 | 0 | 112.7 | P124 M125 | P124-Q127 HydrophobicContact CG-CB 4.11Å; P124-Q127 VanDerWaalsContact CG-CD 3.47Å; P124-Q127 HydrophobicContact CG-CG 3.72Å; P124-Q127 PolarHBondContact O-N 3.4Å; M125-Q127 VanDerWaalsContact C-N 3.32Å; M125-Q127 PolarHBondContact O-N 3.1Å |
| 128 | R | 90.3 | Very high | 82.5 | Confident | 111 Ų | 111 | 104.9 Ų | 104.9 | 42% | 0.419 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -88.7 | 146.6 | 178.1 | -58.9 | 178.1 | -176.2 | -138.5 | 1.8 | 109.4 | F123 M125 S126 F130 | F123-R128 PolarHBondContact O-NE 3.37Å; F123-R128 PolarHBondContact O-NH2 2.92Å; M125-R128 WeakPolarHBondContact O-CB 3.32Å; M125-R128 PolarHBondContact O-N 3.31Å; S126-R128 VanDerWaalsContact C-N 3.34Å; R128-F130 HydrophobicContact CB-CD2 3.71Å; R128-F130 HydrophobicContact CB-CE2 3.37Å; R128-F130 HydrophobicContact CB-CZ 4.3Å; R128-F130 HydrophobicContact CG-CE2 4.19Å; R128-F130 PolarHBondContact O-N 2.94Å |
| 129 | S | 90.8 | Very high | 84.2 | Confident | 131 Ų | 131 | 105.7 Ų | 105.7 | 92% | 0.916 | 58% | 0.576 | S | S | * | * | | | trans | -74.8 | 86 | 178.8 | -54.6 | 0 | 0 | 0 | 0 | 111 | | |
| 130 | F | 93.7 | Very high | 85.6 | Confident | 79 Ų | 79 | 103 Ų | 103 | 35% | 0.346 | 57% | 0.573 | S | S | . | * | | | trans | -106.6 | 150.6 | 170.8 | -71 | -71.3 | 0 | 0 | 0 | 111.4 | M125 R128 F134 | M125-F130 HydrophobicContact CG-CD2 4.24Å; M125-F130 HydrophobicContact CG-CE2 3.73Å; M125-F130 HydrophobicContact CG-CZ 4.5Å; M125-F130 HydrophobicContact SD-CD2 4.28Å; M125-F130 HydrophobicContact SD-CE2 3.23Å; M125-F130 WeakPolarHBondContact SD-CE2 3.38Å; M125-F130 HydrophobicContact SD-CZ 3.56Å; M125-F130 VanDerWaalsContact SD-CZ 3.56Å; R128-F130 HydrophobicContact CB-CD2 3.71Å; R128-F130 HydrophobicContact CB-CE2 3.37Å; R128-F130 HydrophobicContact CB-CZ 4.3Å; R128-F130 HydrophobicContact CG-CE2 4.19Å; R128-F130 PolarHBondContact O-N 2.94Å; F130-F134 HydrophobicContact CB-CB 3.78Å; F130-F134 HydrophobicContact CB-CD1 4.08Å; F130-F134 HydrophobicContact CB-CD2 4.45Å; F130-F134 HydrophobicContact CB-CG 3.85Å; F130-F134 AromaticContact CD1-CD2 3.87Å; F130-F134 HydrophobicContact CD1-CD2 3.87Å; F130-F134 HydrophobicContact CD1-CE2 4.13Å; F130-F134 HydrophobicContact CD1-CG 4.12Å; F130-F134 HydrophobicContact CD2-CD1 4.28Å; F130-F134 HydrophobicContact CD2-CE1 4.27Å; F130-F134 HydrophobicContact CE1-CD2 4.35Å; F130-F134 HydrophobicContact CE1-CE2 4.16Å; F130-F134 HydrophobicContact CE2-CZ 4.49Å; F130-F134 HydrophobicContact CG-CB 4.39Å; F130-F134 HydrophobicContact CG-CD1 4.08Å; F130-F134 HydrophobicContact CG-CD2 4.15Å; F130-F134 HydrophobicContact CG-CE1 4.41Å; F130-F134 HydrophobicContact CG-CE2 4.47Å; F130-F134 AromaticContact CG-CG 3.94Å; F130-F134 HydrophobicContact CG-CG 3.94Å; F130-F134 HydrophobicContact CZ-CZ 4.49Å |
| 131 | P | 93 | Very high | 86.6 | Confident | 72 Ų | 72 | 99.6 Ų | 99.6 | 47% | 0.468 | 56% | 0.56 | S | S | . | * | | | trans | -62.2 | 152.4 | 172.7 | 28.4 | -35.1 | 0 | 0 | 0 | 110.5 | S133 F134 | P131-S133 WeakPolarHBondContact CG-OG 3.32Å; P131-S133 PolarHBondContact O-N 2.63Å; P131-F134 HydrophobicContact CG-CB 4.47Å; P131-F134 VanDerWaalsContact O-CB 3.24Å; P131-F134 WeakPolarHBondContact O-CB 3.19Å; P131-F134 PolarHBondContact O-N 3.2Å |
| 132 | P | 87.4 | Confident | 86.7 | Confident | 91 Ų | 91 | 100.3 Ų | 100.3 | 59% | 0.591 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -55.2 | -27.1 | 177.5 | -27.5 | 35.5 | 0 | 0 | 0 | 114.1 | F134 W135 N136 Y139 | P132-F134 PolarHBondContact O-N 2.93Å; P132-W135 PolarHBondContact O-N 2.7Å; P132-N136 WeakPolarHBondContact O-CB 3.38Å; P132-N136 PolarHBondContact O-N 3.43Å; P132-Y139 HydrophobicContact CB-CD2 4.39Å; P132-Y139 HydrophobicContact CB-CE2 4.24Å |
| 133 | S | 91.5 | Very high | 85.8 | Confident | 52 Ų | 52 | 99.8 Ų | 99.8 | 36% | 0.364 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -62 | -25.8 | 174.7 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | P131 W135 | P131-S133 WeakPolarHBondContact CG-OG 3.32Å; P131-S133 PolarHBondContact O-N 2.63Å; S133-W135 PolarHBondContact O-N 3.12Å |
| 134 | F | 94.6 | Very high | 84.4 | Confident | 100 Ų | 100 | 100.2 Ų | 100.2 | 44% | 0.439 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -64.4 | -31 | 176.5 | -175.6 | -89.2 | 0 | 0 | 0 | 111.9 | M125 F130 P131 P132 | M125-F134 HydrophobicContact CG-CE1 3.69Å; M125-F134 HydrophobicContact CG-CZ 3.89Å; M125-F134 HydrophobicContact SD-CZ 4.26Å; F130-F134 HydrophobicContact CB-CB 3.78Å; F130-F134 HydrophobicContact CB-CD1 4.08Å; F130-F134 HydrophobicContact CB-CD2 4.45Å; F130-F134 HydrophobicContact CB-CG 3.85Å; F130-F134 AromaticContact CD1-CD2 3.87Å; F130-F134 HydrophobicContact CD1-CD2 3.87Å; F130-F134 HydrophobicContact CD1-CE2 4.13Å; F130-F134 HydrophobicContact CD1-CG 4.12Å; F130-F134 HydrophobicContact CD2-CD1 4.28Å; F130-F134 HydrophobicContact CD2-CE1 4.27Å; F130-F134 HydrophobicContact CE1-CD2 4.35Å; F130-F134 HydrophobicContact CE1-CE2 4.16Å; F130-F134 HydrophobicContact CE2-CZ 4.49Å; F130-F134 HydrophobicContact CG-CB 4.39Å; F130-F134 HydrophobicContact CG-CD1 4.08Å; F130-F134 HydrophobicContact CG-CD2 4.15Å; F130-F134 HydrophobicContact CG-CE1 4.41Å; F130-F134 HydrophobicContact CG-CE2 4.47Å; F130-F134 AromaticContact CG-CG 3.94Å; F130-F134 HydrophobicContact CG-CG 3.94Å; F130-F134 HydrophobicContact CZ-CZ 4.49Å; P131-F134 HydrophobicContact CG-CB 4.47Å; P131-F134 VanDerWaalsContact O-CB 3.24Å; P131-F134 WeakPolarHBondContact O-CB 3.19Å; P131-F134 PolarHBondContact O-N 3.2Å; P132-F134 PolarHBondContact O-N 2.93Å |
| 135 | W | 94 | Very high | 82.4 | Confident | 145 Ų | 145 | 102.4 Ų | 102.4 | 55% | 0.549 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.3 | -22.5 | -178 | -61.6 | 110.3 | 0 | 0 | 0 | 113.4 | M125 P132 S133 | M125-W135 HydrophobicContact CB-CH2 3.72Å; M125-W135 HydrophobicContact CB-CZ2 3.95Å; M125-W135 HydrophobicContact CG-CH2 3.73Å; M125-W135 HydrophobicContact CG-CZ2 3.76Å; P132-W135 PolarHBondContact O-N 2.7Å; S133-W135 PolarHBondContact O-N 3.12Å |
| 136 | N | 90.6 | Very high | 80.4 | Confident | 81 Ų | 81 | 103.5 Ų | 103.5 | 43% | 0.433 | 59% | 0.591 | S | S | . | * | | | trans | -109.2 | 102.8 | -175.5 | -171.3 | -12.9 | 0 | 0 | 0 | 111.1 | P132 A138 Y139 | P132-N136 WeakPolarHBondContact O-CB 3.38Å; P132-N136 PolarHBondContact O-N 3.43Å; N136-A138 PolarHBondContact O-N 3.04Å; N136-A138 WeakPolarHBondContact OD1-CA 3.12Å; N136-A138 WeakPolarHBondContact OD1-CB 3.03Å; N136-A138 PolarHBondContact OD1-N 3.08Å; N136-Y139 WeakPolarHBondContact O-CB 3.48Å; N136-Y139 PolarHBondContact O-N 3.35Å; N136-Y139 PolarHBondContact OD1-N 2.85Å |
| 137 | S | 89.2 | Confident | 78.3 | Confident | 133 Ų | 133 | 104.3 Ų | 104.3 | 93% | 0.93 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -24 | 175.6 | -48.5 | 0 | 0 | 0 | 0 | 113.5 | Y139 | S137-Y139 VanDerWaalsContact C-N 3.28Š|
| 138 | A | 89.6 | Confident | 76.5 | Confident | 74 Ų | 74 | 105.9 Ų | 105.9 | 61% | 0.612 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 12.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N136 Q140 | N136-A138 PolarHBondContact O-N 3.04Å; N136-A138 WeakPolarHBondContact OD1-CA 3.12Å; N136-A138 WeakPolarHBondContact OD1-CB 3.03Å; N136-A138 PolarHBondContact OD1-N 3.08Å; A138-Q140 VanDerWaalsContact C-N 3.33Å; A138-Q140 PolarHBondContact O-N 3.44Å |
| 139 | Y | 85.3 | Confident | 74.1 | Confident | 103 Ų | 103 | 103.6 Ų | 103.6 | 40% | 0.404 | 63% | 0.626 | S | S | . | * | | | trans | -63.5 | 97.1 | 175.2 | -169 | -89.6 | 0 | 0 | 0 | 109.5 | P132 N136 S137 P141 | P132-Y139 HydrophobicContact CB-CD2 4.39Å; P132-Y139 HydrophobicContact CB-CE2 4.24Å; N136-Y139 WeakPolarHBondContact O-CB 3.48Å; N136-Y139 PolarHBondContact O-N 3.35Å; N136-Y139 PolarHBondContact OD1-N 2.85Å; S137-Y139 VanDerWaalsContact C-N 3.28Å; Y139-P141 HydrophobicContact CE1-CB 4.28Å; Y139-P141 WeakPolarHBondContact O-CD 3.3Å |
| 140 | Q | 82.5 | Confident | 71.5 | Confident | 159 Ų | 159 | 101.9 Ų | 101.9 | 74% | 0.743 | 62% | 0.62 | S | S | * | * | | | trans | -73.2 | 118.9 | 159.3 | -66.1 | -63 | -46.9 | 0 | 0 | 105.2 | A138 S142 | A138-Q140 VanDerWaalsContact C-N 3.33Å; A138-Q140 PolarHBondContact O-N 3.44Å; Q140-S142 PolarHBondContact O-N 2.94Å |
| 141 | P | 76 | Confident | 69 | Low | 91 Ų | 91 | 103.6 Ų | 103.6 | 59% | 0.591 | 64% | 0.642 | S | S | * | * | | | trans | -53.6 | 120.1 | 163.6 | 24.7 | -29.9 | 0 | 0 | 0 | 104.7 | Y139 S143 | Y139-P141 HydrophobicContact CE1-CB 4.28Å; Y139-P141 WeakPolarHBondContact O-CD 3.3Å; P141-S143 VanDerWaalsContact C-N 3.31Å; P141-S143 PolarHBondContact O-N 3.4Å |
| 142 | S | 66.6 | Low | 66.5 | Low | 78 Ų | 78 | 108.8 Ų | 108.8 | 55% | 0.545 | 66% | 0.659 | S | S | . | * | | | trans | -51.2 | 113.5 | 165 | 24 | 0 | 0 | 0 | 0 | 104 | Q140 M144 | Q140-S142 PolarHBondContact O-N 2.94Å; S142-M144 PolarHBondContact O-N 2.82Å |
| 143 | S | 56.2 | Low | 64.2 | Low | 100 Ų | 100 | 109.6 Ų | 109.6 | 70% | 0.699 | 67% | 0.667 | S | S | * | * | | | trans | -54.1 | 90 | 160.9 | 159.7 | 0 | 0 | 0 | 0 | 103.5 | P141 S145 | P141-S143 VanDerWaalsContact C-N 3.31Å; P141-S143 PolarHBondContact O-N 3.4Å; S143-S145 PolarHBondContact O-N 3.1Å |
| 144 | M | 51.6 | Low | 62.1 | Low | 158 Ų | 158 | 115.7 Ų | 115.7 | 78% | 0.778 | 69% | 0.689 | S | S | * | * | | | trans | -61.3 | 87.4 | 153.7 | -68.9 | -64.9 | -171.8 | 0 | 0 | 101.7 | S142 S146 | S142-M144 PolarHBondContact O-N 2.82Å; M144-S146 PolarHBondContact O-N 3.22Å |
| 145 | S | 45.2 | Very low | 59.7 | Low | 93 Ų | 93 | 117.4 Ų | 117.4 | 65% | 0.65 | 70% | 0.702 | S | S | * | * | | | trans | -37.9 | 113.4 | 158.9 | -67.5 | 0 | 0 | 0 | 0 | 104.3 | S143 A147 | S143-S145 PolarHBondContact O-N 3.1Å; S145-A147 PolarHBondContact O-N 3.4Å |
| 146 | S | 45.3 | Very low | 57.5 | Low | 105 Ų | 105 | 115.9 Ų | 115.9 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | | | trans | -47.9 | 94.3 | 176.5 | -50.4 | 0 | 0 | 0 | 0 | 107.5 | M144 L148 G149 | M144-S146 PolarHBondContact O-N 3.22Å; S146-L148 PolarHBondContact O-N 2.97Å; S146-G149 PolarHBondContact O-N 3.07Å |
| 147 | A | 43.1 | Very low | 55.1 | Low | 100 Ų | 100 | 120.8 Ų | 120.8 | 83% | 0.826 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 29.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | S145 | S145-A147 PolarHBondContact O-N 3.4Š|
| 148 | L | 49.6 | Very low | 52.9 | Low | 168 Ų | 168 | 121 Ų | 121 | 88% | 0.88 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.2 | 3.3 | 167.9 | -64.6 | 175.7 | 0 | 0 | 0 | 111.5 | S146 A150 | S146-L148 PolarHBondContact O-N 2.97Å; L148-A150 PolarHBondContact O-N 3.28Å |
| 149 | G | 40.7 | Very low | 50.7 | Low | 62 Ų | 62 | 121 Ų | 121 | 64% | 0.639 | 73% | 0.732 | S | S | * | * | | | trans | -78.2 | 42.2 | 168 | 0 | 0 | 0 | 0 | 0 | 113.1 | S146 S151 | S146-G149 PolarHBondContact O-N 3.07Å; G149-S151 VanDerWaalsContact C-N 3.34Å; G149-S151 PolarHBondContact O-N 3.21Å; G149-S151 VanDerWaalsContact O-N 3.09Å |
| 150 | A | 36.4 | Very low | 48.6 | Very low | 96 Ų | 96 | 121.6 Ų | 121.6 | 79% | 0.793 | 74% | 0.742 | S | S | * | * | | | trans | -72 | 98.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | L148 | L148-A150 PolarHBondContact O-N 3.28Š|
| 151 | S | 41.3 | Very low | 47.2 | Very low | 115 Ų | 115 | 119.6 Ų | 119.6 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | | | trans | -64.7 | 135.4 | 170 | 29.8 | 0 | 0 | 0 | 0 | 109.5 | G149 | G149-S151 VanDerWaalsContact C-N 3.34Å; G149-S151 PolarHBondContact O-N 3.21Å; G149-S151 VanDerWaalsContact O-N 3.09Å |
| 152 | H | 39.8 | Very low | 45.8 | Very low | 181 Ų | 181 | 125.3 Ų | 125.3 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | | | trans | 91.5 | 93.7 | 148.2 | -143.7 | -83.9 | 0 | 0 | 0 | 119.3 | | |
| 153 | S | 39.4 | Very low | 44.7 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | | -167 | 94.7 | 129.1 | 50.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 154 | E | 46.6 | Very low | 44.4 | Very low | 180 Ų | 180 | 127.7 Ų | 127.7 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | | | trans | 29 | 102.7 | 137.2 | -158.9 | 179.5 | -151.6 | 0 | 0 | 118.7 | | |
| 155 | I | 43.9 | Very low | 44.4 | Very low | 136 Ų | 136 | 124.1 Ų | 124.1 | 70% | 0.697 | 77% | 0.766 | S | S | * | * | | | trans | -137.8 | 114.9 | 149.7 | -55.5 | 177 | 0 | 0 | 0 | 107.1 | F157 | I155-F157 HydrophobicContact CG2-CD2 3.55Å; I155-F157 HydrophobicContact CG2-CE2 3.66Å; I155-F157 PolarHBondContact O-N 3.11Å |
| 156 | P | 49.2 | Very low | 44.6 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | trans | -85.4 | 104.4 | 177.6 | 32.6 | -26.9 | 0 | 0 | 0 | 108.3 | | |
| 157 | F | 38.7 | Very low | 44.8 | Very low | 185 Ų | 185 | 127.9 Ų | 127.9 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | | | trans | -117.3 | 131.6 | 156.8 | -80.3 | -75.1 | 0 | 0 | 0 | 110.1 | I155 | I155-F157 HydrophobicContact CG2-CD2 3.55Å; I155-F157 HydrophobicContact CG2-CE2 3.66Å; I155-F157 PolarHBondContact O-N 3.11Å |
| 158 | T | 43.8 | Very low | 45.1 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 136.7 | -166.9 | 47.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 159 | G | 43.4 | Very low | 44.7 | Very low | 76 Ų | 76 | 129.5 Ų | 129.5 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 136 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 160 | D | 41 | Very low | 44.8 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 62% | 0.615 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 122.9 | 163.7 | -176.5 | -8.4 | 0 | 0 | 0 | 109 | Y162 | D160-Y162 PolarHBondContact O-N 2.85Å; D160-Y162 VanDerWaalsContact O-N 3.13Å; D160-Y162 PolarHBondContact OD1-N 3.2Å |
| 161 | P | 52.8 | Low | 45.4 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 1.4 | -177.2 | -15.2 | 29.3 | 0 | 0 | 0 | 116.1 | | |
| 162 | Y | 47.8 | Very low | 45.5 | Very low | 211 Ų | 211 | 141.5 Ų | 141.5 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.2 | 22.9 | -174.4 | -77.9 | -82.3 | 0 | 0 | 0 | 116.5 | D160 S164 | D160-Y162 PolarHBondContact O-N 2.85Å; D160-Y162 VanDerWaalsContact O-N 3.13Å; D160-Y162 PolarHBondContact OD1-N 3.2Å; Y162-S164 PolarHBondContact O-N 2.91Å |
| 163 | S | 43 | Very low | 45.8 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | | | trans | -80 | 100.3 | 172.6 | -89.1 | 0 | 0 | 0 | 0 | 112.8 | A165 | S163-A165 PolarHBondContact O-N 3.41Å; S163-A165 VanDerWaalsContact O-N 3.15Å |
| 164 | S | 49.6 | Very low | 45.5 | Very low | 127 Ų | 127 | 141.2 Ų | 141.2 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | trans | -83.2 | 46.1 | 174.6 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | Y162 | Y162-S164 PolarHBondContact O-N 2.91Š|
| 165 | A | 52.9 | Low | 44.9 | Very low | 83 Ų | 83 | 138.9 Ų | 138.9 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | | | trans | -124.9 | 73.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S163 | S163-A165 PolarHBondContact O-N 3.41Å; S163-A165 VanDerWaalsContact O-N 3.15Å |
| 166 | S | 48.3 | Very low | 44.9 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | 175.3 | 67.1 | 148.3 | -85.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 167 | L | 49.8 | Very low | 44.1 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -103 | 98 | 148.5 | -69.5 | 174.6 | 0 | 0 | 0 | 105.1 | | |
| 168 | H | 48.6 | Very low | 44.6 | Very low | 190 Ų | 190 | 136.8 Ų | 136.8 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | | | trans | 149.5 | 73.6 | 154 | -68.5 | 157.4 | 0 | 0 | 0 | 111.5 | | |
| 169 | S | 41 | Very low | 44.5 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | -156.2 | 54.7 | 153 | 80.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 170 | H | 44.5 | Very low | 44.3 | Very low | 190 Ų | 190 | 144.5 Ų | 144.5 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | | | trans | -123.9 | 101.3 | 166.1 | -124.7 | -87.7 | 0 | 0 | 0 | 108.8 | | |
| 171 | L | 47.3 | Very low | 44 | Very low | 140 Ų | 140 | 147 Ų | 147 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | | | trans | 148.2 | 86.4 | 131.6 | -171 | 68.4 | 0 | 0 | 0 | 111.1 | | |
| 172 | H | 43.3 | Very low | 43.2 | Very low | 195 Ų | 195 | 146.4 Ų | 146.4 | 90% | 0.903 | 79% | 0.793 | S | S | * | * | | | trans | -153.5 | 84.5 | 143.9 | -77.7 | -60.7 | 0 | 0 | 0 | 108.5 | | |
| 173 | H | 46.4 | Very low | 43 | Very low | 198 Ų | 198 | 144.1 Ų | 144.1 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | | | trans | -90.1 | 106.2 | 155.8 | -123.2 | 79.1 | 0 | 0 | 0 | 105.9 | | |
| 174 | A | 34.3 | Very low | 42.8 | Very low | 84 Ų | 84 | 147.9 Ų | 147.9 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | | | trans | -151.7 | 99.7 | 165 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 175 | T | 32.7 | Very low | 42.3 | Very low | 131 Ų | 131 | 150.1 Ų | 150.1 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | 24.4 | 126.1 | 142.8 | -23.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 176 | P | 43.8 | Very low | 41.6 | Very low | 128 Ų | 128 | 154 Ų | 154 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | | | trans | -86.2 | 119.3 | 167.5 | 32 | -26.1 | 0 | 0 | 0 | 110.7 | | |
| 177 | E | 32.7 | Very low | 41 | Very low | 164 Ų | 164 | 156.2 Ų | 156.2 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | | | trans | -98.9 | 137.6 | 167 | -167.5 | 167.7 | 168.1 | 0 | 0 | 110.3 | | |
| 178 | P | 50.6 | Low | 40.4 | Very low | 98 Ų | 98 | 157.8 Ų | 157.8 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | | | trans | -100.1 | 106.9 | -154.8 | 34.6 | -27.2 | 0 | 0 | 0 | 113.3 | | |
| 179 | W | 41.5 | Very low | 39.7 | Very low | 197 Ų | 197 | 156.1 Ų | 156.1 | 75% | 0.746 | 79% | 0.787 | S | S | * | * | | | trans | -133.1 | 63.6 | 162.7 | -60 | 104.5 | 0 | 0 | 0 | 111 | H181 | W179-H181 AromaticContact CE3-CE1 3.89Š|
| 180 | H | 38.2 | Very low | 39.9 | Very low | 178 Ų | 178 | 156.2 Ų | 156.2 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | trans | -102.6 | 101.1 | 162.6 | -66 | -66.6 | 0 | 0 | 0 | 109 | S182 | H180-S182 PolarHBondContact O-N 3.29Š|
| 181 | H | 35.3 | Very low | 39.7 | Very low | 167 Ų | 167 | 158.4 Ų | 158.4 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -88.2 | 99.2 | 161.8 | -70.7 | 91.8 | 0 | 0 | 0 | 107.9 | W179 | W179-H181 AromaticContact CE3-CE1 3.89Š|
| 182 | S | 36.4 | Very low | 39 | Very low | 104 Ų | 104 | 157.1 Ų | 157.1 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -68.3 | 139.6 | 174.2 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | H180 | H180-S182 PolarHBondContact O-N 3.29Š|
| 183 | H | 43.7 | Very low | 39 | Very low | 163 Ų | 163 | 156.4 Ų | 156.4 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | -53.6 | 144.8 | 169.7 | -68.6 | -88.7 | 0 | 0 | 0 | 113.1 | | |
| 184 | H | 38.5 | Very low | 38.4 | Very low | 180 Ų | 180 | 150.5 Ų | 150.5 | 83% | 0.833 | 79% | 0.785 | S | S | * | * | | | trans | -127.2 | 102 | 152.4 | -88.6 | 37.2 | 0 | 0 | 0 | 109.2 | | |
| 185 | H | 38 | Very low | 38.4 | Very low | 173 Ų | 173 | 150.4 Ų | 150.4 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | | | trans | -85.9 | 122.7 | 157.9 | -86.9 | -75.9 | 0 | 0 | 0 | 108.1 | | |
| 186 | H | 39.5 | Very low | 38.4 | Very low | 166 Ų | 166 | 148.9 Ų | 148.9 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | -132.2 | 124.5 | 161.8 | -108.2 | 54.9 | 0 | 0 | 0 | 106 | | |
| 187 | H | 36 | Very low | 38.1 | Very low | 160 Ų | 160 | 151.4 Ų | 151.4 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | | | trans | 170.1 | 88.4 | 138.3 | -90.5 | 41.8 | 0 | 0 | 0 | 108.4 | | |
| 188 | H | 35.5 | Very low | 38.3 | Very low | 195 Ų | 195 | 146.6 Ų | 146.6 | 90% | 0.903 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 118.6 | 161.7 | -76.9 | -83.1 | 0 | 0 | 0 | 108 | | |
| 189 | H | 35.3 | Very low | 37.5 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 123.1 | 166.5 | -63.5 | -71.1 | 0 | 0 | 0 | 109.2 | | |
| 190 | P | 45 | Very low | 37.4 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 119 | 165.8 | 32.7 | -24.1 | 0 | 0 | 0 | 109.2 | S192 | P190-S192 PolarHBondContact O-N 2.91Š|
| 191 | Y | 39.4 | Very low | 37.4 | Very low | 236 Ų | 236 | 142.5 Ų | 142.5 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | | | trans | -78.2 | 111.3 | 163.4 | -99.6 | -84.3 | 0 | 0 | 0 | 108.6 | | |
| 192 | S | 34 | Very low | 37.4 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | | | trans | -79.5 | 130.3 | 169.5 | -80.5 | 0 | 0 | 0 | 0 | 111.2 | P190 | P190-S192 PolarHBondContact O-N 2.91Š|
| 193 | L | 42.7 | Very low | 37.5 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 94% | 0.942 | 80% | 0.803 | S | S | * | * | | | trans | -71.8 | 127.5 | 162.7 | -179.6 | 73 | 0 | 0 | 0 | 109.5 | | |
| 194 | G | 33.8 | Very low | 37.1 | Very low | 73 Ų | 73 | 143 Ų | 143 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | trans | 145.1 | 95.7 | 162 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 195 | G | 33.3 | Very low | 37.3 | Very low | 83 Ų | 83 | 140.6 Ų | 140.6 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | | | trans | 49.1 | 115.1 | 139.3 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 196 | A | 34.2 | Very low | 37.5 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | | -170.1 | 113.2 | 126.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 197 | I | 37.5 | Very low | 37.6 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 93% | 0.933 | 81% | 0.809 | S | S | * | * | | | trans | 2 | 124.5 | 146.4 | -44.8 | 171.8 | 0 | 0 | 0 | 116.7 | | |
| 198 | G | 36.1 | Very low | 37.9 | Very low | 62 Ų | 62 | 138 Ų | 138 | 64% | 0.639 | 81% | 0.808 | S | S | * | * | | | trans | 178.2 | 74 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 199 | T | 34.4 | Very low | 38.5 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | | | trans | 55.3 | 112.2 | 141.2 | 56.9 | 0 | 0 | 0 | 0 | 121.9 | | |
| 200 | Q | 38.7 | Very low | 39.2 | Very low | 190 Ų | 190 | 137.5 Ų | 137.5 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | | | trans | 71.4 | 110.5 | 134.3 | -32.6 | -103.1 | 2.6 | 0 | 0 | 117.8 | | |
| 201 | G | 38 | Very low | 39.2 | Very low | 78 Ų | 78 | 140 Ų | 140 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | 164.8 | 73.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 202 | S | 35.7 | Very low | 40 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 88% | 0.881 | 80% | 0.802 | S | S | * | * | | | trans | 57.7 | 118.6 | 148.6 | -155.1 | 0 | 0 | 0 | 0 | 121.9 | | |
| 203 | T | 37.8 | Very low | 40.8 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 64% | 0.638 | 81% | 0.806 | S | S | * | * | | | trans | -52 | 147.5 | 170.3 | -47 | 0 | 0 | 0 | 0 | 115.6 | | |
| 204 | Y | 35.2 | Very low | 40.8 | Very low | 213 Ų | 213 | 133.7 Ų | 133.7 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | | | trans | 96.9 | 104.7 | 165.1 | -56.8 | -74.4 | 0 | 0 | 0 | 118.4 | | |
| 205 | P | 44.1 | Very low | 41.5 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 84% | 0.844 | 78% | 0.78 | S | S | * | * | | | trans | -88 | 110.3 | 150.1 | 31.2 | -22.1 | 0 | 0 | 0 | 108.9 | | |
| 206 | R | 42.4 | Very low | 42.6 | Very low | 227 Ų | 227 | 140.2 Ų | 140.2 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | | | trans | -77.9 | 130.7 | 163.6 | -155.9 | -159.1 | -172.4 | -148.2 | 3.5 | 107.7 | S208 | R206-S208 PolarHBondContact O-N 2.8Å; R206-S208 VanDerWaalsContact O-N 3.12Å |
| 207 | P | 41.8 | Very low | 43.4 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | | | trans | -74 | 106.4 | 172 | 13.8 | -4.7 | 0 | 0 | 0 | 108.7 | M209 | P207-M209 PolarHBondContact O-N 3.43Š|
| 208 | S | 41.8 | Very low | 44.1 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | | | trans | -75.6 | 111.2 | 167.7 | -174 | 0 | 0 | 0 | 0 | 108.3 | R206 H210 | R206-S208 PolarHBondContact O-N 2.8Å; R206-S208 VanDerWaalsContact O-N 3.12Å; S208-H210 PolarHBondContact O-N 3.15Å |
| 209 | M | 47.6 | Very low | 45.2 | Very low | 181 Ų | 181 | 138.9 Ų | 138.9 | 89% | 0.892 | 75% | 0.748 | S | S | * | * | | | trans | -77.4 | 71.4 | 171.8 | -62.3 | -129.4 | 80.7 | 0 | 0 | 109.6 | P207 | P207-M209 PolarHBondContact O-N 3.43Š|
| 210 | H | 50.9 | Low | 46.3 | Very low | 160 Ų | 160 | 142 Ų | 142 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | | | trans | -159.9 | 96.5 | 168.4 | -148.4 | 65.6 | 0 | 0 | 0 | 111.6 | S208 | S208-H210 PolarHBondContact O-N 3.15Š|
| 211 | E | 43.4 | Very low | 47.1 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | | | trans | -179.6 | 66.5 | 148.9 | -104.6 | 162.9 | 171.5 | 0 | 0 | 109.8 | | |
| 212 | V | 56 | Low | 47.9 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -83.1 | -4.7 | 164.4 | 172.6 | 0 | 0 | 0 | 0 | 111 | | |
| 213 | Y | 51.8 | Low | 48.9 | Very low | 221 Ų | 221 | 140.9 Ų | 140.9 | 87% | 0.867 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -145.5 | 73.2 | 174.5 | -63.2 | -79.4 | 0 | 0 | 0 | 110.6 | | |
| 214 | G | 42.1 | Very low | 50 | Low | 49 Ų | 49 | 143.9 Ų | 143.9 | 51% | 0.505 | 73% | 0.733 | S | S | . | * | | | trans | -123.4 | 74.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | H216 | G214-H216 PolarHBondContact O-N 2.75Å; G214-H216 VanDerWaalsContact O-N 3.12Å |
| 215 | T | 49 | Very low | 51.4 | Low | 106 Ų | 106 | 141.3 Ų | 141.3 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | | | trans | -62.1 | 112.3 | 167.1 | 40.3 | 0 | 0 | 0 | 0 | 107.5 | F217 | T215-F217 HydrophobicContact CG2-CE2 4.19Å; T215-F217 PolarHBondContact O-N 2.84Å; T215-F217 WeakPolarHBondContact OG1-CD2 3.42Å; T215-F217 WeakPolarHBondContact OG1-CE2 3.41Å |
| 216 | H | 55.7 | Low | 52 | Low | 188 Ų | 188 | 140.8 Ų | 140.8 | 87% | 0.87 | 73% | 0.727 | S | S | * | * | | | trans | -69.5 | 75.5 | 175.2 | -168.1 | -78 | 0 | 0 | 0 | 109.1 | G214 D218 | G214-H216 PolarHBondContact O-N 2.75Å; G214-H216 VanDerWaalsContact O-N 3.12Å; H216-D218 PolarHBondContact O-N 2.91Å |
| 217 | F | 51.9 | Low | 52 | Low | 128 Ų | 128 | 135.7 Ų | 135.7 | 56% | 0.561 | 72% | 0.723 | S | S | * | * | | | trans | -70.1 | 114.3 | 174.6 | -90.7 | -83.3 | 0 | 0 | 0 | 108.3 | T215 P219 | T215-F217 HydrophobicContact CG2-CE2 4.19Å; T215-F217 PolarHBondContact O-N 2.84Å; T215-F217 WeakPolarHBondContact OG1-CD2 3.42Å; T215-F217 WeakPolarHBondContact OG1-CE2 3.41Å; F217-P219 WeakPolarHBondContact O-CD 3.22Å |
| 218 | D | 51.9 | Low | 52.2 | Low | 62 Ų | 62 | 134.5 Ų | 134.5 | 33% | 0.332 | 72% | 0.718 | S | S | . | * | | | trans | -58.4 | 120.6 | 165.4 | -177.4 | -15.4 | 0 | 0 | 0 | 108 | H216 R220 Y221 | H216-D218 PolarHBondContact O-N 2.91Å; D218-R220 PolarHBondContact O-N 2.98Å; D218-R220 WeakPolarHBondContact OD1-CB 3.2Å; D218-R220 PolarHBondContact OD1-N 3.3Å; D218-R220 IonicContact OD1-NE 2.63Å; D218-R220 IonicContact OD2-NH2 2.81Å; D218-Y221 PolarHBondContact O-N 3.16Å; D218-Y221 VanDerWaalsContact O-N 3.14Å |
| 219 | P | 58.1 | Low | 52.6 | Low | 124 Ų | 124 | 135.9 Ų | 135.9 | 81% | 0.805 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -10.4 | -179.6 | 21.1 | -30.6 | 0 | 0 | 0 | 113.5 | F217 | F217-P219 WeakPolarHBondContact O-CD 3.22Š|
| 220 | R | 58 | Low | 52.7 | Low | 184 Ų | 184 | 137.1 Ų | 137.1 | 69% | 0.694 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -4.6 | 178.8 | -58.7 | -168.8 | -57.7 | 148.6 | 5.4 | 115.4 | D218 | D218-R220 PolarHBondContact O-N 2.98Å; D218-R220 WeakPolarHBondContact OD1-CB 3.2Å; D218-R220 PolarHBondContact OD1-N 3.3Å; D218-R220 IonicContact OD1-NE 2.63Å; D218-R220 IonicContact OD2-NH2 2.81Å |
| 221 | Y | 55.6 | Low | 52.2 | Low | 177 Ų | 177 | 135 Ų | 135 | 69% | 0.694 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -134.6 | 26.8 | -175.7 | -67.7 | -78.4 | 0 | 0 | 0 | 115.1 | D218 | D218-Y221 PolarHBondContact O-N 3.16Å; D218-Y221 VanDerWaalsContact O-N 3.14Å |
| 222 | S | 55.4 | Low | 51.9 | Low | 83 Ų | 83 | 135.9 Ų | 135.9 | 58% | 0.58 | 72% | 0.72 | S | S | * | * | | | trans | -101.7 | 71.1 | 174.8 | -171.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 223 | S | 56.7 | Low | 51.1 | Low | 111 Ų | 111 | 140.9 Ų | 140.9 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -151.5 | 7.2 | 172.8 | -70.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 224 | L | 60.7 | Low | 51 | Low | 167 Ų | 167 | 138 Ų | 138 | 87% | 0.874 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -115.5 | 11 | -179.3 | -63.8 | -179 | 0 | 0 | 0 | 115.4 | | |
| 225 | L | 63.9 | Low | 50.8 | Low | 160 Ų | 160 | 141 Ų | 141 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | | | trans | -107.4 | 58.8 | 173.4 | -65.6 | 178.5 | 0 | 0 | 0 | 111.9 | | |
| 226 | V | 57.2 | Low | 50.4 | Low | 119 Ų | 119 | 142.2 Ų | 142.2 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | | | trans | -128 | 120.7 | 160.5 | -175.3 | 0 | 0 | 0 | 0 | 107.7 | S228 | V226-S228 PolarHBondContact O-N 2.64Š|
| 227 | P | 43 | Very low | 49.3 | Very low | 119 Ų | 119 | 139 Ų | 139 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | | | trans | -64 | 100.9 | 165.1 | -13.7 | 28 | 0 | 0 | 0 | 107.9 | V229 | P227-V229 PolarHBondContact O-N 2.94Š|
| 228 | S | 45.2 | Very low | 48.8 | Very low | 90 Ų | 90 | 138.8 Ų | 138.8 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | | | trans | -72.1 | 99.3 | 171.8 | -174.3 | 0 | 0 | 0 | 0 | 108.2 | V226 R230 | V226-S228 PolarHBondContact O-N 2.64Å; S228-R230 PolarHBondContact O-N 2.98Å; S228-R230 VanDerWaalsContact O-N 3.13Å |
| 229 | V | 50.2 | Low | 48.1 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | | | trans | -68.1 | 103.9 | 163.8 | -177.7 | 0 | 0 | 0 | 0 | 106.8 | P227 | P227-V229 PolarHBondContact O-N 2.94Š|
| 230 | R | 50.1 | Low | 46.9 | Very low | 207 Ų | 207 | 144.3 Ų | 144.3 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | | | trans | -98.4 | 114.7 | 168.5 | -74 | -172.8 | 177.5 | 161.2 | -0.2 | 109.3 | S228 | S228-R230 PolarHBondContact O-N 2.98Å; S228-R230 VanDerWaalsContact O-N 3.13Å |
| 231 | P | 40.3 | Very low | 45.6 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 121.1 | 156.7 | -4.5 | 21.9 | 0 | 0 | 0 | 108.2 | R233 | P231-R233 PolarHBondContact O-N 3.06Š|
| 232 | H | 38.1 | Very low | 45.1 | Very low | 184 Ų | 184 | 136.6 Ų | 136.6 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 120.3 | 169.4 | -93.8 | -81.6 | 0 | 0 | 0 | 109.9 | | |
| 233 | R | 37.9 | Very low | 44 | Very low | 233 Ų | 233 | 138.3 Ų | 138.3 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 122.2 | 175.3 | -177.5 | -179.3 | -176.7 | 179.8 | 1 | 110.1 | P231 | P231-R233 PolarHBondContact O-N 3.06Š|
| 234 | L | 50 | Low | 43.4 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 159.6 | 159.7 | -72.6 | 179.6 | 0 | 0 | 0 | 109.5 | | |
| 235 | P | 38.9 | Very low | 42.2 | Very low | 111 Ų | 111 | 135 Ų | 135 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -80 | 164.9 | -154.3 | 32.4 | -33.7 | 0 | 0 | 0 | 114.5 | | |
| 236 | P | 38.8 | Very low | 40.7 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 125.3 | -172.9 | 32.5 | -30.5 | 0 | 0 | 0 | 110.8 | | |
| 237 | S | 34.2 | Very low | 39.7 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | | | trans | -117.4 | 133.1 | 158.8 | -169.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 238 | T | 40.9 | Very low | 39.1 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | trans | -68.4 | 156.6 | -170.3 | 44 | 0 | 0 | 0 | 0 | 114.1 | | |
| 239 | V | 36.2 | Very low | 39 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 72% | 0.715 | 81% | 0.812 | S | S | * | * | | | trans | 115.5 | 104.9 | 148.9 | -172.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 240 | Q | 32.7 | Very low | 38.2 | Very low | 184 Ų | 184 | 136.5 Ų | 136.5 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | trans | 45.5 | 123.6 | 141.6 | -65.3 | 170.4 | -23.2 | 0 | 0 | 121.4 | | |
| 241 | G | 31.5 | Very low | 37.6 | Very low | 76 Ų | 76 | 136.9 Ų | 136.9 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | | | trans | -79.6 | -147.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 242 | P | 45.3 | Very low | 37.3 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | | | cis | -123 | 156.4 | -18.6 | 38.4 | -23.7 | 0 | 0 | 0 | 112.5 | | |
| 243 | S | 32.2 | Very low | 37.2 | Very low | 119 Ų | 119 | 137 Ų | 137 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | | | trans | 162.6 | 139 | 139.1 | 48.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 244 | A | 43.3 | Very low | 37.5 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | | | trans | -72.6 | 137.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 245 | S | 35.5 | Very low | 36.8 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | | | trans | -162.2 | 113.6 | 146.6 | 46 | 0 | 0 | 0 | 0 | 107.5 | | |
| 246 | T | 34.3 | Very low | 36.8 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | | | | 74 | 111.8 | 85.3 | -52.5 | 0 | 0 | 0 | 0 | 110.8 | D248 | T246-D248 PolarHBondContact O-N 3.13Š|
| 247 | C | 35.8 | Very low | 36.8 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | | | trans | -53.3 | 130.3 | 170.9 | -47 | 0 | 0 | 0 | 0 | 110.4 | | |
| 248 | D | 30.1 | Very low | 37 | Very low | 151 Ų | 151 | 127 Ų | 127 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | | | trans | -133.2 | 126.9 | 163.1 | -156.9 | -82.8 | 0 | 0 | 0 | 109.6 | T246 | T246-D248 PolarHBondContact O-N 3.13Š|
| 249 | I | 43.5 | Very low | 36.9 | Very low | 173 Ų | 173 | 133 Ų | 133 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | | | trans | -90 | 102.8 | -179.9 | -162 | 81.1 | 0 | 0 | 0 | 106.8 | | |
| 250 | G | 33.4 | Very low | 37.1 | Very low | 64 Ų | 64 | 133.2 Ų | 133.2 | 66% | 0.66 | 81% | 0.808 | S | S | * | * | | | trans | -128.7 | 121 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 251 | K | 37.3 | Very low | 37.3 | Very low | 216 Ų | 216 | 127.9 Ų | 127.9 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | | | trans | -59.9 | 130.1 | 178.2 | -69 | 159.9 | 73.3 | 172.9 | 0 | 112.6 | | |
| 252 | S | 34.6 | Very low | 37.5 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | | | trans | -167.2 | 147.7 | 148.9 | 54.8 | 0 | 0 | 0 | 0 | 113 | | |
| 253 | E | 34.3 | Very low | 37.2 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | | | trans | -54.3 | 172.1 | -166.4 | -127.4 | 141.8 | 126.3 | 0 | 0 | 119.5 | | |
| 254 | P | 45 | Very low | 37.8 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | | | trans | -82.2 | 138.8 | -157.1 | 38 | -33.8 | 0 | 0 | 0 | 111.4 | | |
| 255 | T | 35 | Very low | 37.3 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | | | trans | -122.9 | 114.5 | 161.2 | -51.4 | 0 | 0 | 0 | 0 | 107.6 | S257 | T255-S257 PolarHBondContact O-N 3.39Å; T255-S257 VanDerWaalsContact O-N 3.1Å |
| 256 | S | 39.8 | Very low | 37.5 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | trans | -43.8 | 107.1 | 172.1 | -27.2 | 0 | 0 | 0 | 0 | 110.3 | A258 | S256-A258 PolarHBondContact O-N 2.91Š|
| 257 | S | 39.1 | Very low | 37.5 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | | | trans | -87.6 | 99.8 | 168.4 | -166.8 | 0 | 0 | 0 | 0 | 107.8 | T255 W259 | T255-S257 PolarHBondContact O-N 3.39Å; T255-S257 VanDerWaalsContact O-N 3.1Å; S257-W259 PolarHBondContact O-N 2.93Å |
| 258 | A | 37.5 | Very low | 38.1 | Very low | 76 Ų | 76 | 129.8 Ų | 129.8 | 63% | 0.628 | 81% | 0.806 | S | S | * | * | | | trans | -62 | 116.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | S256 T260 | S256-A258 PolarHBondContact O-N 2.91Å; A258-T260 VanDerWaalsContact C-N 3.25Å; A258-T260 PolarHBondContact O-N 3.14Å; A258-T260 VanDerWaalsContact O-N 3.1Å |
| 259 | W | 38.3 | Very low | 39 | Very low | 248 Ų | 248 | 129.1 Ų | 129.1 | 94% | 0.939 | 80% | 0.802 | S | S | * | * | | | trans | -80.7 | 78.2 | 164.4 | -74.1 | 53 | 0 | 0 | 0 | 108.2 | S257 G261 | S257-W259 PolarHBondContact O-N 2.93Å; W259-G261 PolarHBondContact O-N 3.28Å |
| 260 | T | 39.8 | Very low | 39.3 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | -89.6 | 88.5 | 163.8 | 24.9 | 0 | 0 | 0 | 0 | 108.6 | A258 T262 | A258-T260 VanDerWaalsContact C-N 3.25Å; A258-T260 PolarHBondContact O-N 3.14Å; A258-T260 VanDerWaalsContact O-N 3.1Å; T260-T262 PolarHBondContact O-N 2.99Å |
| 261 | G | 37.6 | Very low | 39.8 | Very low | 73 Ų | 73 | 129.6 Ų | 129.6 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | | | trans | -75.8 | 107.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | W259 F263 | W259-G261 PolarHBondContact O-N 3.28Å; G261-F263 PolarHBondContact O-N 2.93Å |
| 262 | T | 35.6 | Very low | 40.3 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | | | trans | -72.5 | 104.8 | 172.4 | -18.9 | 0 | 0 | 0 | 0 | 109.4 | T260 | T260-T262 PolarHBondContact O-N 2.99Š|
| 263 | F | 39.6 | Very low | 40.9 | Very low | 212 Ų | 212 | 127.7 Ų | 127.7 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | | | trans | -91 | 113.1 | 162.4 | -108.6 | -88.6 | 0 | 0 | 0 | 108.9 | G261 | G261-F263 PolarHBondContact O-N 2.93Š|
| 264 | T | 45.1 | Very low | 41.9 | Very low | 131 Ų | 131 | 125.8 Ų | 125.8 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -87.5 | 121 | 166 | 47.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 265 | G | 33.3 | Very low | 41.7 | Very low | 74 Ų | 74 | 123.6 Ų | 123.6 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 146.9 | 96 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 266 | A | 38.9 | Very low | 42.3 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 94% | 0.942 | 78% | 0.784 | S | S | * | * | | | trans | 57.5 | 107 | 150.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 267 | G | 35 | Very low | 42.2 | Very low | 59 Ų | 59 | 125.7 Ų | 125.7 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | | | trans | 153.7 | 65.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D269 | G267-D269 VanDerWaalsContact C-N 3.31Å; G267-D269 PolarHBondContact O-N 3.49Å |
| 268 | A | 47 | Very low | 42.7 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 72.4 | -178 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 269 | D | 49.4 | Very low | 42.7 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158.8 | -10.2 | 168.8 | 52.6 | -69.2 | 0 | 0 | 0 | 116.3 | G267 | G267-D269 VanDerWaalsContact C-N 3.31Å; G267-D269 PolarHBondContact O-N 3.49Å |
| 270 | I | 50 | Low | 42.7 | Very low | 126 Ų | 126 | 122.4 Ų | 122.4 | 65% | 0.646 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -106.1 | -16.8 | -173.7 | -68.6 | 168.3 | 0 | 0 | 0 | 114.6 | Q272 | I270-Q272 VanDerWaalsContact C-N 3.34Å; I270-Q272 PolarHBondContact O-N 3.43Å |
| 271 | S | 44.7 | Very low | 42.5 | Very low | 122 Ų | 122 | 119.6 Ų | 119.6 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -0.2 | -174.1 | -74 | 0 | 0 | 0 | 0 | 116.8 | | |
| 272 | Q | 46.7 | Very low | 42.8 | Very low | 197 Ų | 197 | 124.3 Ų | 124.3 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -5.2 | -178.2 | -68.5 | -173.4 | 22.8 | 0 | 0 | 114.9 | I270 | I270-Q272 VanDerWaalsContact C-N 3.34Å; I270-Q272 PolarHBondContact O-N 3.43Å |
| 273 | S | 47.2 | Very low | 42.9 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -103.7 | -9.8 | -173 | 63.2 | 0 | 0 | 0 | 0 | 115.6 | | |
| 274 | I | 54.3 | Low | 43 | Very low | 142 Ų | 142 | 121.5 Ų | 121.5 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | | | trans | -116.5 | 64.5 | 179 | -49.2 | 173.5 | 0 | 0 | 0 | 108.3 | | |
| 275 | G | 41.4 | Very low | 42.6 | Very low | 68 Ų | 68 | 123.7 Ų | 123.7 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | -94.5 | 87.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | N277 | G275-N277 PolarHBondContact O-N 2.73Š|
| 276 | L | 47.3 | Very low | 42.6 | Very low | 158 Ų | 158 | 124.7 Ų | 124.7 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | | | trans | -72.9 | 85.8 | 164 | -65.4 | 178.4 | 0 | 0 | 0 | 108 | V278 | L276-V278 PolarHBondContact O-N 3.12Å; L276-V278 VanDerWaalsContact O-N 3.11Å |
| 277 | N | 39 | Very low | 43 | Very low | 139 Ų | 139 | 127.6 Ų | 127.6 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | trans | -72.2 | 92.7 | 172.6 | -177.8 | 37.9 | 0 | 0 | 0 | 109.5 | G275 D279 | G275-N277 PolarHBondContact O-N 2.73Å; N277-D279 PolarHBondContact O-N 3.01Å |
| 278 | V | 48.1 | Very low | 43.6 | Very low | 136 Ų | 136 | 130 Ų | 130 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | | | trans | -91.2 | 77.2 | 164.2 | -177.1 | 0 | 0 | 0 | 0 | 107.5 | L276 | L276-V278 PolarHBondContact O-N 3.12Å; L276-V278 VanDerWaalsContact O-N 3.11Å |
| 279 | D | 38.8 | Very low | 43.7 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | | | trans | -112.8 | 83 | 164.9 | -160.6 | -89.2 | 0 | 0 | 0 | 107.7 | N277 G281 | N277-D279 PolarHBondContact O-N 3.01Å; D279-G281 VanDerWaalsContact C-N 3.31Å; D279-G281 PolarHBondContact O-N 3.12Å |
| 280 | A | 38.2 | Very low | 43.9 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | | | trans | -80.2 | 88.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | L282 | A280-L282 PolarHBondContact O-N 3.38Š|
| 281 | G | 35.6 | Very low | 44.1 | Very low | 63 Ų | 63 | 134.1 Ų | 134.1 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | | | trans | -57.9 | 121.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D279 | D279-G281 VanDerWaalsContact C-N 3.31Å; D279-G281 PolarHBondContact O-N 3.12Å |
| 282 | L | 42.6 | Very low | 44.1 | Very low | 173 Ų | 173 | 137.9 Ų | 137.9 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | | | trans | -84.4 | 108.4 | 154 | -79.9 | 165.9 | 0 | 0 | 0 | 108.1 | A280 | A280-L282 PolarHBondContact O-N 3.38Š|
| 283 | Q | 37.7 | Very low | 44.4 | Very low | 196 Ų | 196 | 138.7 Ų | 138.7 | 92% | 0.916 | 76% | 0.756 | S | S | * | * | | | trans | -156.2 | 135.1 | 141.9 | -119.1 | -160.1 | 76.4 | 0 | 0 | 112.9 | | |
| 284 | A | 41.4 | Very low | 44.4 | Very low | 86 Ų | 86 | 146.8 Ų | 146.8 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | trans | -69.2 | 154.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 285 | Q | 36.7 | Very low | 43.9 | Very low | 177 Ų | 177 | 147.1 Ų | 147.1 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | | | trans | 156 | 148.1 | 152.9 | -88.4 | -99.3 | -28.6 | 0 | 0 | 107.6 | | |
| 286 | D | 34.7 | Very low | 44 | Very low | 96 Ų | 96 | 151.2 Ų | 151.2 | 51% | 0.513 | 79% | 0.786 | S | S | . | * | | | cis | -158 | 165.7 | -28.4 | -160.3 | -70.7 | 0 | 0 | 0 | 103.8 | | |
| 287 | K | 47.5 | Very low | 43.8 | Very low | 174 Ų | 174 | 150.8 Ų | 150.8 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | | | trans | -50.9 | 128.4 | -175.7 | -48.5 | 160.2 | -153.4 | 87.2 | 0 | 112.9 | | |
| 288 | S | 47.3 | Very low | 44.1 | Very low | 110 Ų | 110 | 151.5 Ų | 151.5 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -172.9 | 100.5 | 142.6 | 43.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 289 | K | 49.8 | Very low | 43.9 | Very low | 190 Ų | 190 | 152.5 Ų | 152.5 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | | | | 48.8 | 111.3 | 96 | -76.5 | -167.4 | 175.8 | -172.5 | 0 | 114.1 | | |
| 290 | D | 53.2 | Low | 44.2 | Very low | 128 Ų | 128 | 154.3 Ų | 154.3 | 68% | 0.684 | 79% | 0.792 | S | S | * | * | | | trans | 44.9 | 119.1 | 144.6 | -59.2 | -41.7 | 0 | 0 | 0 | 117.9 | | |
| 291 | L | 53.3 | Low | 44.6 | Very low | 141 Ų | 141 | 158.4 Ų | 158.4 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | | | | -164.6 | 109 | 126.1 | -96.7 | 141.3 | 0 | 0 | 0 | 109.7 | W293 | L291-W293 HydrophobicContact CD2-CH2 3.98Å; L291-W293 HydrophobicContact CD2-CZ2 3.86Å |
| 292 | Y | 44.6 | Very low | 45.3 | Very low | 201 Ų | 201 | 165.8 Ų | 165.8 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | | | trans | -49 | 141.4 | 160.3 | -75.3 | -101.2 | 0 | 0 | 0 | 110.8 | | |
| 293 | W | 53.5 | Low | 45.5 | Very low | 214 Ų | 214 | 165.2 Ų | 165.2 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | trans | -130.5 | 142.6 | 154 | -67.8 | 123.4 | 0 | 0 | 0 | 110.9 | L291 | L291-W293 HydrophobicContact CD2-CH2 3.98Å; L291-W293 HydrophobicContact CD2-CZ2 3.86Å |
| 294 | F | 46.8 | Very low | 46.2 | Very low | 269 Ų | 269 | 162.4 Ų | 162.4 | 100% | 1.18 | 78% | 0.782 | S | S | * | * | | | trans | -62.6 | 0 | -171.8 | -77.1 | -95 | 0 | 0 | 0 | 114.4 | | |