| 1 | M | 59.7 | Low | 58.8 | Low | 225 Ų | 225 | 158.1 Ų | 158.1 | 100% | 1.108 | 85% | 0.853 | S | S | * | * | | | | 0 | 62.7 | 0 | -67.4 | 176.9 | 174.8 | 0 | 0 | 105.5 | | |
| 2 | D | 51.1 | Low | 58.3 | Low | 151 Ų | 151 | 161 Ų | 161 | 81% | 0.807 | 86% | 0.857 | S | S | * | * | | | | 46.2 | 105.8 | 60.3 | -61.8 | -73.2 | 0 | 0 | 0 | 110.3 | | |
| 3 | M | 68.1 | Low | 58.2 | Low | 193 Ų | 193 | 154.2 Ų | 154.2 | 95% | 0.951 | 85% | 0.849 | S | S | * | * | | | trans | 167.4 | 130.1 | 152.2 | -69.6 | -122.8 | 173.4 | 0 | 0 | 105.6 | | |
| 4 | N | 63 | Low | 57.7 | Low | 136 Ų | 136 | 155 Ų | 155 | 73% | 0.727 | 85% | 0.851 | S | S | * | * | | | cis | -169 | 121.3 | 3.8 | 175 | 42.8 | 0 | 0 | 0 | 105 | | |
| 5 | E | 52.1 | Low | 57.3 | Low | 200 Ų | 200 | 151.3 Ų | 151.3 | 94% | 0.935 | 85% | 0.849 | S | S | * | * | | | trans | -111.1 | 109.6 | 176.8 | -164.8 | -179.5 | 126.3 | 0 | 0 | 107.7 | | |
| 6 | S | 63 | Low | 56.9 | Low | 101 Ų | 101 | 148.9 Ų | 148.9 | 71% | 0.706 | 85% | 0.845 | S | S | * | * | | | trans | -176.8 | 135.9 | 168.3 | 45.5 | 0 | 0 | 0 | 0 | 106.6 | | |
| 7 | G | 56.5 | Low | 56.6 | Low | 65 Ų | 65 | 146.2 Ų | 146.2 | 67% | 0.67 | 84% | 0.838 | S | S | * | * | | | cis | -171.8 | -162.1 | -2.8 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 8 | E | 60.5 | Low | 56.4 | Low | 198 Ų | 198 | 142.2 Ų | 142.2 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | | | trans | 87.3 | 95.1 | 168.8 | -48.9 | -166.2 | 114.5 | 0 | 0 | 114.9 | | |
| 9 | K | 61.9 | Low | 56.5 | Low | 208 Ų | 208 | 142.4 Ų | 142.4 | 90% | 0.904 | 83% | 0.829 | S | S | * | * | | | | 82.5 | 97.2 | 58.6 | -160.5 | -175.5 | -168.2 | -175.2 | 0 | 113 | | |
| 10 | G | 50.7 | Low | 56.8 | Low | 66 Ų | 66 | 141 Ų | 141 | 68% | 0.68 | 83% | 0.825 | S | S | * | * | | | trans | 87.6 | 109.2 | 135.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 11 | M | 59.9 | Low | 57 | Low | 196 Ų | 196 | 140.7 Ų | 140.7 | 97% | 0.966 | 83% | 0.825 | S | S | * | * | | | trans | -170.2 | 90.1 | 137.4 | -102.9 | 160.4 | -176.6 | 0 | 0 | 109.1 | G13 | M11-G13 PolarHBondContact O-N 3.31Š|
| 12 | E | 52.5 | Low | 56.9 | Low | 193 Ų | 193 | 134.4 Ų | 134.4 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | | | trans | -77.6 | 99.2 | 169.6 | -55.4 | -177 | 156.7 | 0 | 0 | 107.7 | N14 | E12-N14 PolarHBondContact O-N 3.45Š|
| 13 | G | 57.2 | Low | 57.6 | Low | 73 Ų | 73 | 135.7 Ų | 135.7 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | trans | -80.3 | 96.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | M11 A15 | M11-G13 PolarHBondContact O-N 3.31Å; G13-A15 PolarHBondContact O-N 3.44Å |
| 14 | N | 50.9 | Low | 56.9 | Low | 165 Ų | 165 | 131.8 Ų | 131.8 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | | | trans | -61.6 | 100.2 | 165.9 | -92 | -38.4 | 0 | 0 | 0 | 109.8 | E12 S16 | E12-N14 PolarHBondContact O-N 3.45Å; N14-S16 PolarHBondContact O-N 3.27Å |
| 15 | A | 52.7 | Low | 56.6 | Low | 99 Ų | 99 | 130.1 Ų | 130.1 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -73.7 | 108.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109 | G13 S17 | G13-A15 PolarHBondContact O-N 3.44Å; A15-S17 PolarHBondContact O-N 2.92Å |
| 16 | S | 51.1 | Low | 56.7 | Low | 113 Ų | 113 | 128.3 Ų | 128.3 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | | | trans | -38.8 | 126.4 | 174.9 | -171.1 | 0 | 0 | 0 | 0 | 113.4 | N14 G18 | N14-S16 PolarHBondContact O-N 3.27Å; S16-G18 PolarHBondContact O-N 3.07Å |
| 17 | S | 51.2 | Low | 56.1 | Low | 103 Ų | 103 | 131.9 Ų | 131.9 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | | | trans | -56 | 114.2 | 168.3 | 43 | 0 | 0 | 0 | 0 | 110.9 | A15 I19 | A15-S17 PolarHBondContact O-N 2.92Å; S17-I19 PolarHBondContact O-N 3.31Å |
| 18 | G | 52.2 | Low | 55.8 | Low | 74 Ų | 74 | 134 Ų | 134 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | | | trans | -73.8 | 104.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | S16 | S16-G18 PolarHBondContact O-N 3.07Š|
| 19 | I | 59.5 | Low | 55.2 | Low | 146 Ų | 146 | 128.7 Ų | 128.7 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | | | trans | -65.5 | 126 | 172.2 | -61.8 | -178.9 | 0 | 0 | 0 | 108.5 | S17 V21 | S17-I19 PolarHBondContact O-N 3.31Å; I19-V21 PolarHBondContact O-N 2.86Å |
| 20 | P | 62.7 | Low | 54.5 | Low | 115 Ų | 115 | 123.3 Ų | 123.3 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | | | trans | -68.4 | 120.8 | 170.4 | 27.3 | -30.9 | 0 | 0 | 0 | 109.2 | D22 | P20-D22 PolarHBondContact O-N 3.44Š|
| 21 | V | 59.5 | Low | 54.5 | Low | 135 Ų | 135 | 124 Ų | 124 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | | | trans | -68 | 100.1 | 172.8 | 176.7 | 0 | 0 | 0 | 0 | 108.2 | I19 W23 | I19-V21 PolarHBondContact O-N 2.86Å; V21-W23 PolarHBondContact O-N 2.9Å |
| 22 | D | 58.4 | Low | 53.6 | Low | 93 Ų | 93 | 125 Ų | 125 | 50% | 0.497 | 75% | 0.746 | S | S | . | * | | | trans | -70.7 | 109.8 | 170 | -173.5 | -89.4 | 0 | 0 | 0 | 109.2 | P20 Q24 T25 | P20-D22 PolarHBondContact O-N 3.44Å; D22-Q24 WeakPolarHBondContact OD1-CA 3.42Å; D22-Q24 VanDerWaalsContact OD1-CB 3.28Å; D22-Q24 WeakPolarHBondContact OD1-CB 3.24Å; D22-Q24 PolarHBondContact OD1-N 3.23Å; D22-Q24 VanDerWaalsContact OD1-N 3.09Å; D22-T25 PolarHBondContact OD1-N 2.72Å; D22-T25 PolarHBondContact OD1-OG1 3.43Å |
| 23 | W | 66.4 | Low | 53 | Low | 177 Ų | 177 | 121.7 Ų | 121.7 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -77.4 | -12.5 | 177.1 | 66.7 | -83.6 | 0 | 0 | 0 | 112.5 | V21 T25 | V21-W23 PolarHBondContact O-N 2.9Å; W23-T25 VanDerWaalsContact C-N 3.34Å |
| 24 | Q | 52 | Low | 52.2 | Low | 111 Ų | 111 | 124 Ų | 124 | 52% | 0.519 | 75% | 0.748 | S | S | . | * | S | Bend | trans | -76.9 | -24.4 | -173.5 | -159.9 | 65.7 | 66.6 | 0 | 0 | 111.8 | D22 | D22-Q24 WeakPolarHBondContact OD1-CA 3.42Å; D22-Q24 VanDerWaalsContact OD1-CB 3.28Å; D22-Q24 WeakPolarHBondContact OD1-CB 3.24Å; D22-Q24 PolarHBondContact OD1-N 3.23Å; D22-Q24 VanDerWaalsContact OD1-N 3.09Å |
| 25 | T | 57.6 | Low | 52.4 | Low | 101 Ų | 101 | 120 Ų | 120 | 62% | 0.62 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -79.3 | -20.9 | -178.7 | -52.2 | 0 | 0 | 0 | 0 | 113.8 | D22 W23 F27 | D22-T25 PolarHBondContact OD1-N 2.72Å; D22-T25 PolarHBondContact OD1-OG1 3.43Å; W23-T25 VanDerWaalsContact C-N 3.34Å; T25-F27 PolarHBondContact O-N 3.27Å |
| 26 | Q | 54.6 | Low | 52.9 | Low | 163 Ų | 163 | 120.9 Ų | 120.9 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -78.1 | -16.3 | -176.7 | -85.3 | -127.1 | 30.2 | 0 | 0 | 115.5 | | |
| 27 | F | 50.6 | Low | 53.5 | Low | 176 Ų | 176 | 121.5 Ų | 121.5 | 77% | 0.772 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -93.9 | -10.2 | -179 | -82.7 | -80.7 | 0 | 0 | 0 | 114.9 | T25 | T25-F27 PolarHBondContact O-N 3.27Š|
| 28 | S | 49 | Very low | 53.5 | Low | 109 Ų | 109 | 125.6 Ų | 125.6 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -96.6 | -5.9 | 178.1 | -80.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 29 | A | 48.6 | Very low | 52.9 | Low | 87 Ų | 87 | 131.5 Ų | 131.5 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -92.3 | -1.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A31 | A29-A31 VanDerWaalsContact C-N 3.34Å; A29-A31 PolarHBondContact O-N 2.82Å |
| 30 | A | 48.1 | Very low | 52.5 | Low | 94 Ų | 94 | 133.6 Ų | 133.6 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | | | trans | -97.1 | 51.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 31 | A | 49.3 | Very low | 51.5 | Low | 82 Ų | 82 | 135.9 Ų | 135.9 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -106.6 | 115.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | A29 S33 | A29-A31 VanDerWaalsContact C-N 3.34Å; A29-A31 PolarHBondContact O-N 2.82Å; A31-S33 PolarHBondContact O-N 3.27Å; A31-S33 VanDerWaalsContact O-N 3.11Å |
| 32 | F | 41.7 | Very low | 50.8 | Low | 216 Ų | 216 | 135.2 Ų | 135.2 | 95% | 0.947 | 75% | 0.754 | S | S | * | * | | | trans | -36 | 108.2 | 176.6 | -80 | -104.6 | 0 | 0 | 0 | 113.4 | | |
| 33 | S | 40.7 | Very low | 50.3 | Low | 123 Ų | 123 | 136.1 Ų | 136.1 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | | | trans | -102.1 | 94.9 | 160.9 | -171.2 | 0 | 0 | 0 | 0 | 107.9 | A31 | A31-S33 PolarHBondContact O-N 3.27Å; A31-S33 VanDerWaalsContact O-N 3.11Å |
| 34 | C | 39.7 | Very low | 49.2 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | | | trans | -87.8 | 109.5 | 168.6 | -175.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 35 | A | 54.7 | Low | 49.2 | Very low | 80 Ų | 80 | 139.9 Ų | 139.9 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 141.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 36 | P | 63.1 | Low | 48.4 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 141.4 | 168.7 | 32.2 | -30.8 | 0 | 0 | 0 | 110.8 | | |
| 37 | P | 63 | Low | 47.9 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 139.6 | 173.6 | 29.8 | -31.1 | 0 | 0 | 0 | 111.3 | | |
| 38 | Q | 51.7 | Low | 47.6 | Very low | 190 Ų | 190 | 137.4 Ų | 137.4 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 142.5 | 178.5 | -77.7 | -157.6 | 8.7 | 0 | 0 | 113.2 | | |
| 39 | Q | 41 | Very low | 47.4 | Very low | 197 Ų | 197 | 140.6 Ų | 140.6 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 116 | 175 | -165.4 | 172.5 | 14.8 | 0 | 0 | 108.6 | | |
| 40 | Q | 49.5 | Very low | 47.2 | Very low | 190 Ų | 190 | 140.8 Ų | 140.8 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | | | trans | -121.3 | 143.9 | 165.2 | -162.7 | 158.6 | 10.9 | 0 | 0 | 110.3 | | |
| 41 | Q | 43 | Very low | 47.2 | Very low | 164 Ų | 164 | 141 Ų | 141 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | | | trans | -93.7 | 131.1 | -149.1 | -166.8 | 179.9 | -9.7 | 0 | 0 | 112.1 | | |
| 42 | V | 44.3 | Very low | 47 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | | | trans | 57.9 | 163 | 144.1 | -55.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 43 | P | 48.8 | Very low | 47.5 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | | | cis | -133.2 | 159.8 | -6.7 | 21.4 | 3 | 0 | 0 | 0 | 116.6 | | |
| 44 | M | 43.3 | Very low | 47.8 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | | | trans | 38.5 | 115.4 | 146.2 | -81.8 | -177.6 | 150.8 | 0 | 0 | 122.3 | | |
| 45 | M | 51.9 | Low | 48.4 | Very low | 180 Ų | 180 | 143.5 Ų | 143.5 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | | | | -169.6 | 129.8 | 128.5 | 43 | 144.2 | 81.1 | 0 | 0 | 110.1 | | |
| 46 | D | 40.4 | Very low | 47.8 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | | | trans | -62 | 138.3 | 178.4 | -71.1 | -68.1 | 0 | 0 | 0 | 113.5 | | |
| 47 | S | 43.8 | Very low | 47.1 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | | | trans | -176.1 | 134.5 | 134.9 | 47.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 48 | A | 44.4 | Very low | 46.6 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | | | trans | -73.1 | 137.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 49 | F | 45.3 | Very low | 46.3 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | | | trans | -156.2 | 113.9 | 151.5 | 166.2 | -111.2 | 0 | 0 | 0 | 109.2 | | |
| 50 | A | 42.9 | Very low | 46.4 | Very low | 91 Ų | 91 | 138.6 Ų | 138.6 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | | | trans | -76.5 | 133.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 51 | S | 48.5 | Very low | 45.9 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | | | trans | -148.1 | 109.7 | 160.3 | -154.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 52 | A | 44.8 | Very low | 46.5 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | -76.1 | 135.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 53 | G | 52.9 | Low | 46.3 | Very low | 82 Ų | 82 | 133.3 Ų | 133.3 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | | | trans | -114 | 94.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 54 | L | 47.2 | Very low | 46.2 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | | | trans | -91.1 | 134.3 | 164.9 | -80 | 160.5 | 0 | 0 | 0 | 108.7 | | |
| 55 | W | 52.3 | Low | 46.5 | Very low | 249 Ų | 249 | 131.9 Ų | 131.9 | 94% | 0.943 | 81% | 0.809 | S | S | * | * | | | trans | -117 | 116.2 | 162.9 | 57.4 | -71 | 0 | 0 | 0 | 108.5 | | |
| 56 | A | 41.5 | Very low | 46.1 | Very low | 94 Ų | 94 | 131 Ų | 131 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | | | trans | -138.6 | 136 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 57 | S | 48.9 | Very low | 46.3 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | trans | -169.6 | 117.3 | 157.7 | -118 | 0 | 0 | 0 | 0 | 109.8 | | |
| 58 | T | 51.4 | Low | 46.4 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | | 93.7 | 129.5 | 89.5 | -71.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 59 | S | 47.1 | Very low | 46.2 | Very low | 100 Ų | 100 | 124 Ų | 124 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | | | cis | -163.8 | 163.3 | 8.1 | -90.4 | 0 | 0 | 0 | 0 | 105.2 | | |
| 60 | Q | 42.9 | Very low | 46.4 | Very low | 181 Ų | 181 | 126.9 Ų | 126.9 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | | 173.8 | 129.6 | 70.5 | -169.6 | 174 | 93.3 | 0 | 0 | 107 | | |
| 61 | A | 39.2 | Very low | 46.5 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | trans | -140.8 | 135.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 62 | M | 54.5 | Low | 46.4 | Very low | 177 Ų | 177 | 128.2 Ų | 128.2 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | | | trans | -141.2 | 121.7 | 169.1 | -62 | -153 | -176.7 | 0 | 0 | 110 | | |
| 63 | A | 40 | Very low | 46.4 | Very low | 89 Ų | 89 | 128.6 Ų | 128.6 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | | | trans | 63.8 | 135.7 | 136.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 64 | L | 46.9 | Very low | 46 | Very low | 158 Ų | 158 | 137 Ų | 137 | 83% | 0.827 | 82% | 0.821 | S | S | * | * | | | cis | -168.6 | 156.1 | 41.4 | -77.8 | 168.3 | 0 | 0 | 0 | 111.3 | | |
| 65 | S | 50.2 | Low | 45.8 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | | | trans | 67.1 | 114.1 | 149.3 | -52.8 | 0 | 0 | 0 | 0 | 119 | | |
| 66 | D | 43 | Very low | 45.5 | Very low | 162 Ų | 162 | 125.5 Ų | 125.5 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | | | cis | 96.6 | 137.5 | 47.7 | -167.6 | 47.2 | 0 | 0 | 0 | 114.7 | | |
| 67 | A | 44.5 | Very low | 45.5 | Very low | 83 Ų | 83 | 130.1 Ų | 130.1 | 69% | 0.686 | 81% | 0.814 | S | S | * | * | | | trans | 86.7 | 106.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 68 | G | 45.3 | Very low | 45.5 | Very low | 87 Ų | 87 | 133 Ų | 133 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | | | trans | 96.9 | 130 | 137.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 69 | G | 41.9 | Very low | 45.8 | Very low | 69 Ų | 69 | 130.3 Ų | 130.3 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | | | cis | 164.4 | 160.7 | 3.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 70 | R | 48.1 | Very low | 46.6 | Very low | 238 Ų | 238 | 131.5 Ų | 131.5 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | | | trans | 94.7 | 115.7 | 157.1 | -51.3 | -179.5 | 74.4 | -171.9 | 3.1 | 119.5 | | |
| 71 | S | 45.4 | Very low | 47.4 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | | | trans | 91 | 93.9 | 131.7 | -65.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 72 | A | 45.5 | Very low | 47.6 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | | | trans | -3 | 122.5 | 134.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 73 | A | 45.8 | Very low | 47.3 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | | | trans | -145 | 120.7 | 140.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 74 | R | 43.8 | Very low | 47.7 | Very low | 258 Ų | 258 | 131.1 Ų | 131.1 | 97% | 0.974 | 82% | 0.815 | S | S | * | * | | | trans | -76.3 | 118.8 | 178.9 | 167 | -178.8 | 167 | 168.9 | -3.2 | 108.9 | | |
| 75 | A | 43.9 | Very low | 47.7 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | | | trans | -148 | 141.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 76 | G | 46.6 | Very low | 47.5 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | trans | -59.3 | 135.5 | -156.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 77 | F | 40.4 | Very low | 47.6 | Very low | 191 Ų | 191 | 133.6 Ų | 133.6 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | | | trans | -81.2 | 110.2 | 157.9 | -173.8 | -98.3 | 0 | 0 | 0 | 107.8 | A79 | F77-A79 HydrophobicContact CE1-CB 4.02Š|
| 78 | L | 50.1 | Low | 47.3 | Very low | 169 Ų | 169 | 132.7 Ų | 132.7 | 89% | 0.885 | 82% | 0.818 | S | S | * | * | | | trans | -108.1 | 114.1 | 159.5 | -73.6 | -179.9 | 0 | 0 | 0 | 107.4 | | |
| 79 | A | 57.2 | Low | 47.4 | Very low | 66 Ų | 66 | 136.1 Ų | 136.1 | 55% | 0.545 | 82% | 0.815 | S | S | . | * | P | Polyproline II helix | trans | -68.8 | 140.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | F77 | F77-A79 HydrophobicContact CE1-CB 4.02Š|
| 80 | P | 63.1 | Low | 47.4 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 124.6 | 166.4 | -5.7 | 23.1 | 0 | 0 | 0 | 109.6 | | |
| 81 | V | 59.1 | Low | 47.3 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 130.5 | 169.5 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 82 | P | 44.6 | Very low | 47.3 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | | | trans | -82.2 | 113.6 | 167.8 | 1 | 16.6 | 0 | 0 | 0 | 109.2 | | |
| 83 | G | 48.4 | Very low | 47.8 | Very low | 67 Ų | 67 | 137.3 Ų | 137.3 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | | | trans | -164.6 | 107.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 84 | F | 48.3 | Very low | 48.4 | Very low | 203 Ų | 203 | 137.9 Ų | 137.9 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | | | trans | 67.7 | 90.6 | 143 | -139.5 | -92.5 | 0 | 0 | 0 | 118.8 | | |
| 85 | L | 45.5 | Very low | 49 | Very low | 168 Ų | 168 | 130.3 Ų | 130.3 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | | | trans | -147.3 | 149.4 | 144.8 | -81.7 | -171.6 | 0 | 0 | 0 | 110.6 | | |
| 86 | P | 47.7 | Very low | 50 | Low | 112 Ų | 112 | 130.2 Ų | 130.2 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -85.7 | 155.4 | -150.1 | 34.1 | -35.3 | 0 | 0 | 0 | 113.8 | G88 | P86-G88 PolarHBondContact O-N 2.84Š|
| 87 | Q | 44.1 | Very low | 51.1 | Low | 204 Ų | 204 | 127.4 Ų | 127.4 | 95% | 0.953 | 74% | 0.741 | S | S | * | * | | | trans | -58.5 | 121 | 164.6 | -62 | -167.6 | -27.6 | 0 | 0 | 109.5 | | |
| 88 | G | 38.6 | Very low | 52.4 | Low | 64 Ų | 64 | 125.1 Ų | 125.1 | 66% | 0.66 | 73% | 0.731 | S | S | * | * | | | trans | -172.4 | 65.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | P86 | P86-G88 PolarHBondContact O-N 2.84Š|
| 89 | L | 46.2 | Very low | 53.3 | Low | 160 Ų | 160 | 122.6 Ų | 122.6 | 84% | 0.838 | 72% | 0.717 | S | S | * | * | | | trans | -150.8 | 64.6 | 158.2 | -81.5 | -176 | 0 | 0 | 0 | 109.3 | | |
| 90 | A | 42.5 | Very low | 53.6 | Low | 99 Ų | 99 | 125.4 Ų | 125.4 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | | | trans | -148.8 | 51.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 91 | H | 46.8 | Very low | 53.9 | Low | 170 Ų | 170 | 127 Ų | 127 | 79% | 0.787 | 71% | 0.709 | S | S | * | * | | | trans | -164.1 | 80 | 161.1 | -157 | 66.2 | 0 | 0 | 0 | 110.4 | | |
| 92 | F | 44.6 | Very low | 54.1 | Low | 174 Ų | 174 | 123 Ų | 123 | 76% | 0.763 | 69% | 0.69 | S | S | * | * | | | trans | -81.1 | 123.2 | 156.1 | -77.3 | -77.4 | 0 | 0 | 0 | 106.7 | V94 | F92-V94 VanDerWaalsContact C-N 3.32Å; F92-V94 PolarHBondContact O-N 3.08Å |
| 93 | P | 56.9 | Low | 55 | Low | 105 Ų | 105 | 120 Ų | 120 | 68% | 0.682 | 68% | 0.677 | S | S | * | * | | | trans | -65.4 | 101.8 | 166.6 | 27.4 | -29.4 | 0 | 0 | 0 | 106.5 | D95 | P93-D95 VanDerWaalsContact C-N 3.28Å; P93-D95 PolarHBondContact O-N 2.98Å |
| 94 | V | 58.3 | Low | 55.6 | Low | 115 Ų | 115 | 126.5 Ų | 126.5 | 70% | 0.697 | 68% | 0.68 | S | S | * | * | | | trans | -58.4 | 101.9 | 160.4 | 150 | 0 | 0 | 0 | 0 | 105.2 | F92 S96 I99 | F92-V94 VanDerWaalsContact C-N 3.32Å; F92-V94 PolarHBondContact O-N 3.08Å; V94-S96 VanDerWaalsContact C-N 3.34Å; V94-S96 PolarHBondContact O-N 2.92Å; V94-I99 HydrophobicContact CG1-CD1 4.33Å |
| 95 | D | 56.4 | Low | 56 | Low | 99 Ų | 99 | 120.9 Ų | 120.9 | 53% | 0.529 | 67% | 0.671 | S | S | . | * | | | trans | -64.1 | 99.9 | 173.6 | -171.1 | -8.2 | 0 | 0 | 0 | 107 | P93 G97 F98 | P93-D95 VanDerWaalsContact C-N 3.28Å; P93-D95 PolarHBondContact O-N 2.98Å; D95-G97 PolarHBondContact O-N 3.29Å; D95-G97 PolarHBondContact OD1-N 3.33Å; D95-F98 HydrophobicContact CB-CB 4.46Å; D95-F98 PolarHBondContact O-N 2.93Å |
| 96 | S | 65.5 | Low | 56.2 | Low | 99 Ų | 99 | 117.4 Ų | 117.4 | 69% | 0.692 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -58.5 | -16.1 | -178.5 | -147.5 | 0 | 0 | 0 | 0 | 111.9 | V94 | V94-S96 VanDerWaalsContact C-N 3.34Å; V94-S96 PolarHBondContact O-N 2.92Å |
| 97 | G | 67.7 | Low | 56.2 | Low | 20 Ų | 20 | 117.6 Ų | 117.6 | 21% | 0.206 | 66% | 0.664 | C | S | . | * | H | α-helix | trans | -83.2 | -15.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | D95 R101 | D95-G97 PolarHBondContact O-N 3.29Å; D95-G97 PolarHBondContact OD1-N 3.33Å; G97-R101 PolarHBondContact O-N 2.93Å; G97-R101 PolarHBondContact O-NE 3.46Å |
| 98 | F | 67.9 | Low | 56.2 | Low | 144 Ų | 144 | 118.5 Ų | 118.5 | 63% | 0.632 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -76.7 | -35.6 | 176.5 | -162.2 | -93.5 | 0 | 0 | 0 | 111.8 | D95 E100 R101 A102 | D95-F98 HydrophobicContact CB-CB 4.46Å; D95-F98 PolarHBondContact O-N 2.93Å; F98-E100 VanDerWaalsContact C-N 3.34Å; F98-E100 PolarHBondContact O-N 3.48Å; F98-R101 PolarHBondContact O-N 2.92Å; F98-A102 HydrophobicContact CE1-CB 4.5Å; F98-A102 WeakPolarHBondContact O-CB 3.38Å; F98-A102 PolarHBondContact O-N 2.9Å |
| 99 | I | 70.4 | Confident | 56.1 | Low | 115 Ų | 115 | 119.4 Ų | 119.4 | 59% | 0.59 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -63.5 | -40.2 | 174.9 | -79.1 | 160.2 | 0 | 0 | 0 | 111.2 | V94 A103 | V94-I99 HydrophobicContact CG1-CD1 4.33Å; I99-A103 VanDerWaalsContact O-CB 3.23Å; I99-A103 WeakPolarHBondContact O-CB 3.38Å; I99-A103 PolarHBondContact O-N 2.92Å |
| 100 | E | 63.3 | Low | 55.8 | Low | 126 Ų | 126 | 115.4 Ų | 115.4 | 59% | 0.589 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -71.4 | -38.4 | 177.5 | -164.3 | -178.5 | 161.4 | 0 | 0 | 112.1 | F98 R104 | F98-E100 VanDerWaalsContact C-N 3.34Å; F98-E100 PolarHBondContact O-N 3.48Å; E100-R104 WeakPolarHBondContact O-CB 3.39Å; E100-R104 WeakPolarHBondContact O-CG 3.49Å; E100-R104 PolarHBondContact O-N 2.9Å; E100-R104 VanDerWaalsContact O-N 3.12Å |
| 101 | R | 69.6 | Low | 55.5 | Low | 157 Ų | 157 | 115.2 Ų | 115.2 | 59% | 0.592 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -69.6 | -39.2 | 174.3 | -81.1 | -177 | -77.1 | -106.6 | 0.8 | 113 | G97 F98 R104 A105 | G97-R101 PolarHBondContact O-N 2.93Å; G97-R101 PolarHBondContact O-NE 3.46Å; F98-R101 PolarHBondContact O-N 2.92Å; R101-R104 PolarHBondContact O-N 3.24Å; R101-A105 WeakPolarHBondContact O-CB 3.4Å; R101-A105 PolarHBondContact O-N 2.83Å |
| 102 | A | 61.9 | Low | 55.2 | Low | 50 Ų | 50 | 110.3 Ų | 110.3 | 41% | 0.413 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -69.2 | -35.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | F98 R104 S106 | F98-A102 HydrophobicContact CE1-CB 4.5Å; F98-A102 WeakPolarHBondContact O-CB 3.38Å; F98-A102 PolarHBondContact O-N 2.9Å; A102-R104 VanDerWaalsContact C-N 3.32Å; A102-R104 PolarHBondContact O-N 3.32Å; A102-S106 WeakPolarHBondContact O-CB 3.44Å; A102-S106 PolarHBondContact O-N 3.46Å |
| 103 | A | 65.2 | Low | 54.8 | Low | 70 Ų | 70 | 106.4 Ų | 106.4 | 58% | 0.579 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -66.7 | -32.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I99 | I99-A103 VanDerWaalsContact O-CB 3.23Å; I99-A103 WeakPolarHBondContact O-CB 3.38Å; I99-A103 PolarHBondContact O-N 2.92Å |
| 104 | R | 60.8 | Low | 54 | Low | 202 Ų | 202 | 104.8 Ų | 104.8 | 76% | 0.762 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -87 | -16.1 | 179.7 | -65.5 | -178.5 | 85.7 | -154.4 | 2.4 | 114.3 | E100 R101 A102 | E100-R104 WeakPolarHBondContact O-CB 3.39Å; E100-R104 WeakPolarHBondContact O-CG 3.49Å; E100-R104 PolarHBondContact O-N 2.9Å; E100-R104 VanDerWaalsContact O-N 3.12Å; R101-R104 PolarHBondContact O-N 3.24Å; A102-R104 VanDerWaalsContact C-N 3.32Å; A102-R104 PolarHBondContact O-N 3.32Å |
| 105 | A | 55.1 | Low | 52.8 | Low | 85 Ų | 85 | 103 Ų | 103 | 70% | 0.702 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -101.1 | -0.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R101 C107 | R101-A105 WeakPolarHBondContact O-CB 3.4Å; R101-A105 PolarHBondContact O-N 2.83Å; A105-C107 PolarHBondContact O-N 3.45Å |
| 106 | S | 49.8 | Very low | 52.5 | Low | 96 Ų | 96 | 105.1 Ų | 105.1 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | | | trans | -97.3 | 58.3 | 178.6 | 173.4 | 0 | 0 | 0 | 0 | 112 | A102 | A102-S106 WeakPolarHBondContact O-CB 3.44Å; A102-S106 PolarHBondContact O-N 3.46Å |
| 107 | C | 48.5 | Very low | 51.4 | Low | 116 Ų | 116 | 109.8 Ų | 109.8 | 78% | 0.784 | 72% | 0.72 | S | S | * | * | | | trans | -130.8 | 64.1 | 170.2 | -70.2 | 0 | 0 | 0 | 0 | 109.9 | A105 | A105-C107 PolarHBondContact O-N 3.45Š|
| 108 | F | 43.4 | Very low | 50.1 | Low | 223 Ų | 223 | 113.5 Ų | 113.5 | 98% | 0.978 | 75% | 0.749 | S | S | * | * | | | trans | -126.5 | 91.2 | 167 | -141.4 | -88.1 | 0 | 0 | 0 | 108.4 | | |
| 109 | G | 37.5 | Very low | 48.6 | Very low | 83 Ų | 83 | 111.9 Ų | 111.9 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | | | trans | 167.7 | 70.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 110 | G | 40.6 | Very low | 47 | Very low | 76 Ų | 76 | 115 Ų | 115 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | | | trans | -172 | 56 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G112 | G110-G112 PolarHBondContact O-N 3.28Å; G110-G112 VanDerWaalsContact O-N 3.17Å |
| 111 | G | 36.1 | Very low | 45.7 | Very low | 94 Ų | 94 | 112.5 Ų | 112.5 | 97% | 0.969 | 78% | 0.78 | S | S | * | * | | | trans | -72.9 | 98.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 112 | G | 39.9 | Very low | 44.3 | Very low | 68 Ų | 68 | 108.7 Ų | 108.7 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | trans | -155.8 | 105.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | G110 | G110-G112 PolarHBondContact O-N 3.28Å; G110-G112 VanDerWaalsContact O-N 3.17Å |
| 113 | G | 35.4 | Very low | 43.2 | Very low | 91 Ų | 91 | 111.1 Ų | 111.1 | 94% | 0.938 | 80% | 0.801 | S | S | * | * | | | trans | -60.7 | 133.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 114 | G | 40.5 | Very low | 42.1 | Very low | 71 Ų | 71 | 112.4 Ų | 112.4 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | | | trans | 166.8 | 105.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 115 | G | 33.8 | Very low | 41.2 | Very low | 78 Ų | 78 | 109.7 Ų | 109.7 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | -63.6 | 150.9 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 116 | V | 49.9 | Very low | 40.6 | Very low | 143 Ų | 143 | 112.7 Ų | 112.7 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | | | trans | -142.8 | 128 | 151 | -75.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 117 | M | 43.1 | Very low | 40.2 | Very low | 197 Ų | 197 | 114.4 Ų | 114.4 | 97% | 0.97 | 81% | 0.809 | S | S | * | * | | | trans | -53.7 | 132.5 | 170.7 | -66.4 | -84 | -167.3 | 0 | 0 | 110.7 | | |
| 118 | A | 40.2 | Very low | 39.8 | Very low | 99 Ų | 99 | 114 Ų | 114 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -134.6 | 122.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 119 | A | 36.2 | Very low | 39.9 | Very low | 109 Ų | 109 | 110.1 Ų | 110.1 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | | | trans | -56.7 | 128.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 120 | F | 36.3 | Very low | 39.8 | Very low | 182 Ų | 182 | 112.9 Ų | 112.9 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | | | trans | -123.1 | 115.9 | 147.2 | 109.5 | -93.5 | 0 | 0 | 0 | 106.6 | | |
| 121 | G | 36.2 | Very low | 39.6 | Very low | 73 Ų | 73 | 114.8 Ų | 114.8 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | trans | -83.5 | 128.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 122 | A | 40 | Very low | 39.6 | Very low | 77 Ų | 77 | 115.2 Ų | 115.2 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | | | trans | 164.1 | 126.8 | 130.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 123 | A | 39.5 | Very low | 39.5 | Very low | 100 Ų | 100 | 121.7 Ų | 121.7 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | | | trans | 75.3 | 120.2 | 149.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 124 | A | 41.4 | Very low | 39.5 | Very low | 97 Ų | 97 | 123 Ų | 123 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | | | trans | 80.1 | 98.5 | 138.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 125 | D | 41.1 | Very low | 39.3 | Very low | 146 Ų | 146 | 122.7 Ų | 122.7 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | | | | 80.8 | 113.2 | 115.4 | -134.5 | 18.9 | 0 | 0 | 0 | 120.5 | | |
| 126 | H | 43.4 | Very low | 39.6 | Very low | 148 Ų | 148 | 124.8 Ų | 124.8 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | | | trans | 62.2 | 111.2 | 138.9 | -95.5 | -115.7 | 0 | 0 | 0 | 122.7 | | |
| 127 | Q | 41.9 | Very low | 39.6 | Very low | 131 Ų | 131 | 123.7 Ų | 123.7 | 61% | 0.612 | 79% | 0.785 | S | S | * | * | | | trans | 101.1 | 127.1 | 130.4 | -63.2 | -64.1 | -32.6 | 0 | 0 | 120.9 | M129 | Q127-M129 HydrophobicContact CB-CE 3.85Å; Q127-M129 HydrophobicContact CG-CE 4.47Å |
| 128 | P | 38.5 | Very low | 39.5 | Very low | 107 Ų | 107 | 123.2 Ų | 123.2 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | | | trans | -103.6 | 139.5 | 176.7 | 37.8 | -27.9 | 0 | 0 | 0 | 112.8 | | |
| 129 | M | 46.8 | Very low | 39.4 | Very low | 143 Ų | 143 | 122.3 Ų | 122.3 | 70% | 0.704 | 77% | 0.773 | S | S | * | * | | | trans | -141.8 | 106.2 | 174.6 | -47.7 | -76.7 | 145.9 | 0 | 0 | 110.5 | Q127 | Q127-M129 HydrophobicContact CB-CE 3.85Å; Q127-M129 HydrophobicContact CG-CE 4.47Å |
| 130 | N | 35.3 | Very low | 39.7 | Very low | 141 Ų | 141 | 124.5 Ų | 124.5 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | trans | 0.7 | 134.3 | 142.7 | 56.9 | -4.7 | 0 | 0 | 0 | 121 | | |
| 131 | S | 36.1 | Very low | 40.6 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | | | | 161.8 | 110.3 | 127.7 | 48.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 132 | A | 36.4 | Very low | 40.6 | Very low | 102 Ų | 102 | 125.7 Ų | 125.7 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | | | | 74 | 99.1 | 95.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 133 | F | 38.2 | Very low | 41.1 | Very low | 204 Ų | 204 | 130.5 Ų | 130.5 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | | | trans | -142.3 | 124.3 | 139.8 | 107.2 | -95.6 | 0 | 0 | 0 | 109.5 | | |
| 134 | S | 34.3 | Very low | 41.1 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | | | trans | -98.8 | 147.8 | -178.1 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 135 | G | 37.7 | Very low | 41.1 | Very low | 65 Ų | 65 | 137 Ų | 137 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | | | trans | -176.1 | 74.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 136 | S | 39.6 | Very low | 41.1 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | | | trans | 36.2 | 123.5 | 147.1 | -70.3 | 0 | 0 | 0 | 0 | 122.6 | | |
| 137 | S | 49.8 | Very low | 40.9 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | | | trans | -162.8 | 94.4 | 135.6 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 138 | E | 40.4 | Very low | 41.1 | Very low | 187 Ų | 187 | 139.8 Ų | 139.8 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | -59.1 | 164.2 | 153.6 | -68 | -147.4 | 120.2 | 0 | 0 | 110.5 | | |
| 139 | A | 38.5 | Very low | 41.1 | Very low | 80 Ų | 80 | 138.1 Ų | 138.1 | 66% | 0.661 | 78% | 0.783 | S | S | * | * | | | cis | -169.7 | 170.1 | -10.9 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 140 | L | 43 | Very low | 41.1 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | | | trans | 86.1 | 95 | 145.9 | -149.1 | 90.9 | 0 | 0 | 0 | 118.7 | | |
| 141 | L | 54.7 | Low | 41.6 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | | | | 175.2 | 113.3 | 100.8 | -106.4 | 121 | 0 | 0 | 0 | 110.8 | | |
| 142 | D | 35.8 | Very low | 42.3 | Very low | 135 Ų | 135 | 141.7 Ų | 141.7 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | | | trans | -84.5 | 134.9 | 168.8 | -173.5 | 66.7 | 0 | 0 | 0 | 109.3 | | |
| 143 | H | 50.4 | Low | 42.7 | Very low | 177 Ų | 177 | 140.4 Ų | 140.4 | 82% | 0.819 | 79% | 0.793 | S | S | * | * | | | trans | -151.4 | 83.8 | 156.7 | -103.7 | 64.8 | 0 | 0 | 0 | 109.8 | | |
| 144 | Q | 40.2 | Very low | 42.9 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 63% | 0.626 | 79% | 0.787 | S | S | * | * | | | | 43.8 | 119 | 119.4 | -136.4 | -169.6 | 106.4 | 0 | 0 | 120.5 | | |
| 145 | R | 40.4 | Very low | 43.6 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | | 134.8 | 97.4 | 129.2 | -80.2 | -158.6 | 179.5 | -129.2 | 1.5 | 113.3 | | |
| 146 | T | 42.1 | Very low | 43.8 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | | | | 67 | 96 | 89.6 | 57.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 147 | K | 39.2 | Very low | 44 | Very low | 205 Ų | 205 | 145.9 Ų | 145.9 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | | | trans | -44.2 | 123.8 | 154 | -175 | 178.7 | -174.2 | 175.4 | 0 | 112 | | |
| 148 | D | 45.6 | Very low | 43.6 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | | | trans | -138.6 | 125.1 | 155.5 | -96.9 | -39.2 | 0 | 0 | 0 | 108.8 | | |
| 149 | G | 39.4 | Very low | 43.9 | Very low | 72 Ų | 72 | 144.7 Ų | 144.7 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | trans | -91.8 | 143.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 150 | S | 46.7 | Very low | 44.1 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 88% | 0.881 | 78% | 0.781 | S | S | * | * | | | trans | -152.6 | 108.7 | 161.5 | -144.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 151 | D | 44.8 | Very low | 43.9 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | trans | -74.1 | 138.1 | 163.8 | 179.5 | 9.9 | 0 | 0 | 0 | 108.9 | | |
| 152 | K | 52 | Low | 43.7 | Very low | 204 Ų | 204 | 144.9 Ų | 144.9 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | | | trans | 171.3 | 117.7 | 149.4 | -95.2 | 161.3 | -170.4 | -171.3 | 0 | 112.7 | | |
| 153 | G | 43.9 | Very low | 43.8 | Very low | 75 Ų | 75 | 146.6 Ų | 146.6 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | | 103.6 | 98.8 | 129.1 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 154 | E | 42.6 | Very low | 43.6 | Very low | 168 Ų | 168 | 141.4 Ų | 141.4 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -46.9 | 157.7 | 155.9 | -74.6 | -76.5 | 125 | 0 | 0 | 114.1 | | |
| 155 | P | 49.9 | Very low | 43.6 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | | | | -145.9 | 134.4 | 88.1 | 32.7 | -12.6 | 0 | 0 | 0 | 117.3 | | |
| 156 | E | 40.3 | Very low | 43.7 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | | | trans | -6.8 | 131.1 | 142.4 | -88.9 | -101.5 | 105.6 | 0 | 0 | 118.3 | | |
| 157 | L | 44 | Very low | 43.5 | Very low | 179 Ų | 179 | 139.1 Ų | 139.1 | 94% | 0.937 | 80% | 0.803 | S | S | * | * | | | trans | -162.2 | 101.6 | 137.5 | -84 | -170 | 0 | 0 | 0 | 111.9 | | |
| 158 | G | 41.3 | Very low | 43.9 | Very low | 63 Ų | 63 | 134.9 Ų | 134.9 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | | | | 98.2 | 114 | 118.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 159 | R | 47.5 | Very low | 43.5 | Very low | 220 Ų | 220 | 136.2 Ų | 136.2 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | | | trans | 72.6 | 138.9 | 134.2 | -75.4 | -166.6 | 159 | -107.7 | 16.3 | 118.7 | | |
| 160 | N | 43.4 | Very low | 43.6 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 66% | 0.658 | 80% | 0.801 | S | S | * | * | | | cis | -159.7 | 145 | 4 | -76.8 | -43.7 | 0 | 0 | 0 | 108.2 | | |
| 161 | G | 38.5 | Very low | 43.3 | Very low | 78 Ų | 78 | 135.8 Ų | 135.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -93.2 | 156.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 162 | H | 50.3 | Low | 43.2 | Very low | 182 Ų | 182 | 133.3 Ų | 133.3 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | | | trans | -140 | 119.6 | 157.3 | 75.2 | -74.9 | 0 | 0 | 0 | 109 | | |
| 163 | D | 38.2 | Very low | 43 | Very low | 172 Ų | 172 | 128.9 Ų | 128.9 | 92% | 0.92 | 80% | 0.798 | S | S | * | * | | | trans | -106.6 | 151.9 | 168.3 | -75.7 | -59.8 | 0 | 0 | 0 | 109 | | |
| 164 | G | 44.5 | Very low | 43 | Very low | 68 Ų | 68 | 128.4 Ų | 128.4 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | | | trans | 169 | 83.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 165 | V | 40.4 | Very low | 42.9 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | | | | 48.8 | 113.9 | 94.8 | -172.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 166 | L | 42.4 | Very low | 42.3 | Very low | 168 Ų | 168 | 127.1 Ų | 127.1 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | | | | -179.6 | 138.6 | 122.6 | -89.5 | 174.2 | 0 | 0 | 0 | 111.7 | | |
| 167 | S | 38.9 | Very low | 42.3 | Very low | 105 Ų | 105 | 125 Ų | 125 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | trans | -69.2 | 158.8 | -173.7 | -51.2 | 0 | 0 | 0 | 0 | 115.6 | | |
| 168 | S | 46.5 | Very low | 42.5 | Very low | 115 Ų | 115 | 121.8 Ų | 121.8 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | | 144.9 | 117.9 | 117.9 | -68.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 169 | E | 38.4 | Very low | 42.7 | Very low | 191 Ų | 191 | 128.4 Ų | 128.4 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | | | trans | 33 | 120 | 132 | -177.6 | 174.2 | 87.4 | 0 | 0 | 119.7 | | |
| 170 | A | 41 | Very low | 42.4 | Very low | 92 Ų | 92 | 121.1 Ų | 121.1 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | | 169.8 | 131.9 | 110.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 171 | A | 41.5 | Very low | 42.5 | Very low | 97 Ų | 97 | 121.1 Ų | 121.1 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | trans | -16.9 | 149.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 172 | A | 42.5 | Very low | 42.9 | Very low | 92 Ų | 92 | 122.2 Ų | 122.2 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | trans | 95.7 | 119.8 | 131.1 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 173 | A | 46.6 | Very low | 42.7 | Very low | 111 Ų | 111 | 120.1 Ų | 120.1 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | | | trans | 78.1 | 138.7 | 137.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 174 | G | 43.4 | Very low | 43.2 | Very low | 66 Ų | 66 | 116.8 Ų | 116.8 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | | | trans | 123.7 | 79.8 | 152.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 175 | D | 40.7 | Very low | 43.5 | Very low | 155 Ų | 155 | 123.6 Ų | 123.6 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | | | | 37.7 | 135.8 | 117.2 | -79.5 | -40.9 | 0 | 0 | 0 | 122.2 | | |
| 176 | C | 37.2 | Very low | 43.7 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | | | trans | 75.3 | 111.1 | 136.4 | -63.5 | 0 | 0 | 0 | 0 | 121.2 | | |
| 177 | S | 40.4 | Very low | 44.2 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | | 44.2 | 132.2 | 115.4 | -159.8 | 0 | 0 | 0 | 0 | 121 | | |
| 178 | S | 49.9 | Very low | 44.6 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | 104.5 | 153 | 140.9 | 78.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 179 | K | 43.7 | Very low | 44.9 | Very low | 203 Ų | 203 | 139.9 Ų | 139.9 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | 90.2 | 100.5 | 167.7 | -126.5 | 161.4 | -179.1 | 171.8 | 0 | 114.1 | | |
| 180 | G | 41.1 | Very low | 45.4 | Very low | 66 Ų | 66 | 135.6 Ų | 135.6 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | | | | 107.4 | 149.6 | 82.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 181 | T | 47.2 | Very low | 45.2 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | | | cis | -173.1 | 154.4 | 16.4 | 38.1 | 0 | 0 | 0 | 0 | 106.6 | | |
| 182 | S | 45.8 | Very low | 45.6 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | 62.5 | 140.7 | 148 | 50.6 | 0 | 0 | 0 | 0 | 119.3 | | |
| 183 | D | 45.7 | Very low | 45.6 | Very low | 138 Ų | 138 | 143.1 Ų | 143.1 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | | | cis | -169 | 140 | 29.3 | -132.6 | -60.7 | 0 | 0 | 0 | 111.8 | | |
| 184 | S | 49.6 | Very low | 45.9 | Very low | 102 Ų | 102 | 146.3 Ų | 146.3 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | trans | 34.6 | 116 | 142.3 | -57.3 | 0 | 0 | 0 | 0 | 124.7 | | |
| 185 | K | 50.8 | Low | 45.7 | Very low | 210 Ų | 210 | 146.2 Ų | 146.2 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | | | | -178.3 | 93.5 | 118.1 | -118.2 | 163.2 | 173.8 | 158.3 | 0 | 116.3 | | |
| 186 | K | 44.8 | Very low | 45.7 | Very low | 197 Ų | 197 | 142.5 Ų | 142.5 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | | | | 32.7 | 110.4 | 127.7 | -155.1 | 173.9 | -170.7 | 176.8 | 0 | 120.3 | | |
| 187 | R | 51.9 | Low | 46 | Very low | 209 Ų | 209 | 144 Ų | 144 | 79% | 0.789 | 78% | 0.779 | S | S | * | * | | | | 176.6 | 108.7 | 117.4 | -97.9 | 173.7 | 78.7 | 174.6 | 2 | 112.6 | | |
| 188 | R | 49 | Very low | 46.2 | Very low | 239 Ų | 239 | 146.4 Ų | 146.4 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | | | trans | -78.5 | 150.7 | 155.4 | -88.1 | -164.1 | 164.8 | -127.7 | -0.1 | 110.2 | | |
| 189 | R | 52 | Low | 46 | Very low | 215 Ų | 215 | 146.3 Ų | 146.3 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | | | trans | -128.3 | 142 | 150.6 | -86.5 | -82.6 | 162.9 | 127.6 | -7.6 | 108.5 | | |
| 190 | P | 49.1 | Very low | 46.1 | Very low | 101 Ų | 101 | 145 Ų | 145 | 66% | 0.656 | 77% | 0.769 | S | S | * | * | | | trans | -100.7 | 168.2 | -164.5 | 38.6 | -30 | 0 | 0 | 0 | 113.7 | | |
| 191 | N | 37.1 | Very low | 46 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | -64.1 | 135.8 | 168.2 | -176.8 | 22.1 | 0 | 0 | 0 | 111.3 | | |
| 192 | E | 49.6 | Very low | 45.8 | Very low | 172 Ų | 172 | 145.8 Ų | 145.8 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | -121.5 | 119.8 | 164.7 | -64.9 | -140.9 | 159.4 | 0 | 0 | 110.2 | | |
| 193 | V | 41.5 | Very low | 45.6 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | | | trans | -101.4 | 129.8 | 166.5 | 156.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 194 | M | 54.3 | Low | 45.5 | Very low | 177 Ų | 177 | 149.3 Ų | 149.3 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | | | trans | -152.2 | 126.4 | 165.6 | -159.4 | 76.8 | 78 | 0 | 0 | 105.3 | | |
| 195 | G | 37.7 | Very low | 45.2 | Very low | 65 Ų | 65 | 150 Ų | 150 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | | | cis | 117.2 | 97.2 | 14.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 196 | G | 40.8 | Very low | 44.8 | Very low | 76 Ų | 76 | 144 Ų | 144 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | | | trans | 72 | 148.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 197 | D | 44 | Very low | 44.6 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | cis | -171.1 | 146.1 | 8.8 | -139.2 | -22.5 | 0 | 0 | 0 | 108.1 | | |
| 198 | Q | 45 | Very low | 44.2 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | 59.9 | 129.7 | 139 | -145.1 | 163.3 | 110.7 | 0 | 0 | 119.8 | | |
| 199 | V | 46.1 | Very low | 43.9 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 66% | 0.655 | 76% | 0.761 | S | S | * | * | | | cis | -175.7 | 152 | 46.8 | -124.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 200 | Q | 44.4 | Very low | 43.7 | Very low | 176 Ų | 176 | 127.3 Ų | 127.3 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | | | trans | 73.7 | 101.7 | 153.9 | -66.2 | 175.7 | 63.9 | 0 | 0 | 118.8 | | |
| 201 | S | 40.4 | Very low | 43.3 | Very low | 114 Ų | 114 | 132 Ų | 132 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | | 58.8 | 111.3 | 71.7 | -155.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 202 | S | 42.4 | Very low | 43.8 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | | | | 179.3 | 157.8 | 58.9 | 44.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 203 | N | 41.9 | Very low | 43.5 | Very low | 151 Ų | 151 | 128.5 Ų | 128.5 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | | | trans | 88.8 | 99.5 | 156.5 | -53.7 | -41.7 | 0 | 0 | 0 | 120.5 | | |
| 204 | L | 42.7 | Very low | 43.6 | Very low | 163 Ų | 163 | 131.6 Ų | 131.6 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | | | trans | -70.2 | -173.1 | 143.3 | -60 | 168.5 | 0 | 0 | 0 | 110 | | |
| 205 | P | 45 | Very low | 43 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | | | cis | -137.3 | -174.7 | -10.6 | 22.4 | 3.7 | 0 | 0 | 0 | 114.1 | | |
| 206 | A | 40.4 | Very low | 43.5 | Very low | 82 Ų | 82 | 134.8 Ų | 134.8 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | | | trans | 96.3 | 123 | 135.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 207 | D | 40.7 | Very low | 43.7 | Very low | 161 Ų | 161 | 137 Ų | 137 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | | | trans | 93.8 | 132.2 | 130.2 | -87.4 | -40.6 | 0 | 0 | 0 | 122.9 | | |
| 208 | S | 44 | Very low | 43.7 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | | | trans | 83.3 | 98.7 | 143.8 | -174.3 | 0 | 0 | 0 | 0 | 120.4 | | |
| 209 | A | 43.2 | Very low | 43.2 | Very low | 94 Ų | 94 | 133.9 Ų | 133.9 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | | | | 42.8 | 118.9 | 122.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 210 | N | 47.2 | Very low | 43.1 | Very low | 153 Ų | 153 | 137.5 Ų | 137.5 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -160.2 | 121.7 | 130.5 | 53.7 | 8.3 | 0 | 0 | 0 | 112.3 | | |
| 211 | E | 41.3 | Very low | 42.7 | Very low | 201 Ų | 201 | 138.4 Ų | 138.4 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | | | trans | -74.5 | 135.5 | 155.8 | -68.7 | -161 | 103.7 | 0 | 0 | 108.9 | | |
| 212 | S | 47.3 | Very low | 42.7 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | | | trans | -161.5 | 106 | 161.7 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 213 | V | 43.6 | Very low | 42.3 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | trans | -65.5 | 130.1 | 163.3 | -91.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 214 | H | 43 | Very low | 42.2 | Very low | 187 Ų | 187 | 139.6 Ų | 139.6 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | | | trans | -160.5 | 125.4 | 148.7 | -107.4 | -67.6 | 0 | 0 | 0 | 113 | | |
| 215 | S | 42.9 | Very low | 41.9 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -71.1 | 141.2 | -179.6 | -39 | 0 | 0 | 0 | 0 | 114.2 | | |
| 216 | K | 48.2 | Very low | 41.6 | Very low | 195 Ų | 195 | 136.4 Ų | 136.4 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | | | trans | -170.9 | 105.7 | 151.7 | -149.2 | 151.5 | 179.6 | 173.5 | 0 | 109.6 | | |
| 217 | D | 43.5 | Very low | 41.4 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 65% | 0.652 | 79% | 0.79 | S | S | * | * | | | | 83.6 | 133.9 | 93.6 | -167.4 | 31.5 | 0 | 0 | 0 | 114.7 | | |
| 218 | K | 45 | Very low | 41.7 | Very low | 173 Ų | 173 | 137 Ų | 137 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | trans | 67.7 | 125.6 | 172.4 | -46.6 | -163.3 | 177.8 | -178.4 | 0 | 116.2 | | |
| 219 | G | 34.8 | Very low | 41.8 | Very low | 63 Ų | 63 | 139.2 Ų | 139.2 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | | | cis | 126 | 163 | 39.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 220 | E | 44.3 | Very low | 41.8 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | 73 | 98.2 | 159.5 | 41.2 | -160.6 | 115.7 | 0 | 0 | 120.2 | | |
| 221 | E | 35.2 | Very low | 41.4 | Very low | 195 Ų | 195 | 137.6 Ų | 137.6 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | | | trans | -29.8 | 126.3 | 145.2 | -178.4 | -172.4 | 142.7 | 0 | 0 | 114.5 | | |
| 222 | S | 40.8 | Very low | 41.6 | Very low | 111 Ų | 111 | 132 Ų | 132 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | -177.2 | 125.2 | 141.7 | -179.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 223 | S | 34.1 | Very low | 41.3 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | | | trans | -66.5 | 134 | 165.4 | 48.7 | 0 | 0 | 0 | 0 | 114 | | |
| 224 | L | 38.7 | Very low | 41.4 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | | | trans | 175.3 | 149.8 | 146.6 | -122.7 | 74.7 | 0 | 0 | 0 | 106.9 | | |
| 225 | A | 37.7 | Very low | 41.4 | Very low | 74 Ų | 74 | 137.4 Ų | 137.4 | 61% | 0.612 | 81% | 0.808 | S | S | * | * | | | cis | -166.2 | 152.7 | 16.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 226 | T | 36.9 | Very low | 41.3 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | trans | -139 | 97.8 | 147.2 | -56 | 0 | 0 | 0 | 0 | 109 | | |
| 227 | T | 36.2 | Very low | 41 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 73% | 0.73 | 81% | 0.812 | S | S | * | * | | | trans | -7.8 | 125.3 | 153.4 | 55 | 0 | 0 | 0 | 0 | 119 | | |
| 228 | T | 48.5 | Very low | 40.8 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 85% | 0.847 | 82% | 0.821 | S | S | * | * | | | trans | -148.1 | 116.3 | 138 | 51.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 229 | T | 45.3 | Very low | 40.6 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | | | trans | -54.2 | 152.3 | 158.6 | 40.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 230 | G | 43.8 | Very low | 40.9 | Very low | 74 Ų | 74 | 140 Ų | 140 | 76% | 0.763 | 84% | 0.838 | S | S | * | * | | | cis | -170.6 | 167.2 | -1.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 231 | P | 38.6 | Very low | 40.5 | Very low | 140 Ų | 140 | 140 Ų | 140 | 91% | 0.909 | 84% | 0.838 | S | S | * | * | | | trans | -101.4 | 150.8 | -167.5 | 36.5 | -30 | 0 | 0 | 0 | 114.3 | | |
| 232 | G | 45.8 | Very low | 40.7 | Very low | 82 Ų | 82 | 137.2 Ų | 137.2 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | | | trans | -155.9 | 141 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 233 | K | 41.1 | Very low | 40.4 | Very low | 208 Ų | 208 | 137.5 Ų | 137.5 | 90% | 0.904 | 84% | 0.836 | S | S | * | * | | | trans | -122.6 | 137 | -147.8 | 176.7 | -179.9 | -176.4 | 174.4 | 0 | 112.1 | | |
| 234 | S | 44.5 | Very low | 40.6 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 82% | 0.818 | 85% | 0.845 | S | S | * | * | | | trans | 167.2 | 119.7 | 150.6 | 45.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 235 | K | 42.9 | Very low | 40.6 | Very low | 218 Ų | 218 | 138.9 Ų | 138.9 | 95% | 0.948 | 84% | 0.84 | S | S | * | * | | | cis | 83.5 | 110.4 | 48.4 | -155.1 | -177.3 | -170.7 | -176.6 | 0 | 113.8 | | |
| 236 | G | 42.6 | Very low | 41.1 | Very low | 72 Ų | 72 | 143.7 Ų | 143.7 | 74% | 0.742 | 85% | 0.85 | S | S | * | * | | | trans | 137.3 | 90.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 237 | K | 40.7 | Very low | 42 | Very low | 226 Ų | 226 | 146.2 Ų | 146.2 | 98% | 0.983 | 85% | 0.849 | S | S | * | * | | | | 72.9 | 103.7 | 82.4 | -160.3 | 175.3 | -173.4 | 178.6 | 0 | 112.9 | | |
| 238 | G | 40.3 | Very low | 43.1 | Very low | 81 Ų | 81 | 146.4 Ų | 146.4 | 84% | 0.835 | 84% | 0.841 | S | S | * | * | | | trans | -178 | 92.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 239 | A | 40.1 | Very low | 43.7 | Very low | 106 Ų | 106 | 147.4 Ų | 147.4 | 88% | 0.876 | 84% | 0.842 | S | S | * | * | | | trans | -79.6 | 135.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 240 | R | 39.9 | Very low | 44.5 | Very low | 239 Ų | 239 | 149.1 Ų | 149.1 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | | | trans | -166.3 | 127.1 | 135.4 | -152.4 | 169.3 | 178.3 | -149.9 | -2.1 | 110.9 | | |
| 241 | E | 37.3 | Very low | 45.9 | Very low | 185 Ų | 185 | 152.6 Ų | 152.6 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | | | trans | -65.5 | 127.3 | 177.5 | -61.9 | 168.5 | 159.7 | 0 | 0 | 111.3 | | |
| 242 | T | 38.6 | Very low | 47.6 | Very low | 136 Ų | 136 | 153.9 Ų | 153.9 | 83% | 0.834 | 83% | 0.826 | S | S | * | * | | | trans | -152.1 | 112.2 | 151.7 | 24.5 | 0 | 0 | 0 | 0 | 106.6 | E244 | T242-E244 PolarHBondContact O-N 2.9Š|
| 243 | S | 34.4 | Very low | 49.1 | Very low | 116 Ų | 116 | 155.8 Ų | 155.8 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | | | trans | -62.8 | 103 | 179.2 | 47.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 244 | E | 38 | Very low | 50.7 | Low | 187 Ų | 187 | 155.2 Ų | 155.2 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | trans | 177.4 | 85.5 | 165.8 | -105.3 | 170.4 | -144.7 | 0 | 0 | 109.4 | T242 | T242-E244 PolarHBondContact O-N 2.9Š|
| 245 | S | 38.8 | Very low | 52 | Low | 112 Ų | 112 | 153.7 Ų | 153.7 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | | | trans | 168.6 | 98.8 | 157.5 | 53.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 246 | Q | 49.5 | Very low | 53.4 | Low | 175 Ų | 175 | 154.7 Ų | 154.7 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -117.6 | 75.4 | 150.1 | -71.7 | -177.1 | -37.7 | 0 | 0 | 106.5 | | |
| 247 | K | 56 | Low | 54.9 | Low | 193 Ų | 193 | 161.8 Ų | 161.8 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | | | trans | -96.1 | 93 | 160.4 | -74.7 | 178.3 | -179.8 | 175 | 0 | 104.5 | D249 | K247-D249 PolarHBondContact O-N 3Š|
| 248 | E | 59.2 | Low | 56.2 | Low | 122 Ų | 122 | 153.7 Ų | 153.7 | 57% | 0.57 | 79% | 0.79 | S | S | * | * | | | trans | -58.3 | 127.1 | 170 | -72.1 | 95.8 | -165 | 0 | 0 | 109.2 | Y250 | E248-Y250 VanDerWaalsContact O-CD2 3.22Å; E248-Y250 WeakPolarHBondContact O-CD2 3.28Å; E248-Y250 PolarHBondContact O-N 3.11Å |
| 249 | D | 59.8 | Low | 57.7 | Low | 159 Ų | 159 | 157.3 Ų | 157.3 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | | | trans | -65.5 | 94.8 | 175.5 | -72.4 | -42 | 0 | 0 | 0 | 110.2 | K247 I251 | K247-D249 PolarHBondContact O-N 3Å; D249-I251 PolarHBondContact O-N 2.85Å; D249-I251 VanDerWaalsContact O-N 3.07Å |
| 250 | Y | 62.6 | Low | 59.3 | Low | 183 Ų | 183 | 154.9 Ų | 154.9 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | | | trans | -71.6 | 98.7 | 173.7 | -74.9 | -87.4 | 0 | 0 | 0 | 111.3 | E248 H252 | E248-Y250 VanDerWaalsContact O-CD2 3.22Å; E248-Y250 WeakPolarHBondContact O-CD2 3.28Å; E248-Y250 PolarHBondContact O-N 3.11Å; Y250-H252 PolarHBondContact O-N 3.06Å; Y250-H252 VanDerWaalsContact O-N 3.12Å; Y250-H252 PolarHBondContact O-ND1 2.68Å |
| 251 | I | 73.6 | Confident | 61.4 | Low | 148 Ų | 148 | 149.3 Ų | 149.3 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | | | trans | -70.4 | 105.2 | 165.1 | -56.8 | 174.1 | 0 | 0 | 0 | 108.3 | D249 V253 | D249-I251 PolarHBondContact O-N 2.85Å; D249-I251 VanDerWaalsContact O-N 3.07Å; I251-V253 VanDerWaalsContact C-N 3.28Å; I251-V253 HydrophobicContact CG2-CG2 3.94Å; I251-V253 PolarHBondContact O-N 3.23Å |
| 252 | H | 73.9 | Confident | 64.1 | Low | 167 Ų | 167 | 145.2 Ų | 145.2 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | | | trans | -75.5 | 83 | 171.6 | -69.4 | 65.1 | 0 | 0 | 0 | 109.3 | Y250 R254 | Y250-H252 PolarHBondContact O-N 3.06Å; Y250-H252 VanDerWaalsContact O-N 3.12Å; Y250-H252 PolarHBondContact O-ND1 2.68Å; H252-R254 PolarHBondContact O-N 3.19Å |
| 253 | V | 76.9 | Confident | 66.6 | Low | 121 Ų | 121 | 143.3 Ų | 143.3 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | | | trans | -65.5 | 115.9 | 164.2 | -178.4 | 0 | 0 | 0 | 0 | 106.7 | I251 A255 | I251-V253 VanDerWaalsContact C-N 3.28Å; I251-V253 HydrophobicContact CG2-CG2 3.94Å; I251-V253 PolarHBondContact O-N 3.23Å; V253-A255 PolarHBondContact O-N 2.8Å |
| 254 | R | 75.6 | Confident | 69.6 | Low | 197 Ų | 197 | 144.4 Ų | 144.4 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | | | trans | -51.9 | 117.3 | 173.1 | -178 | 178.4 | -170.5 | 164.7 | 8 | 108.3 | H252 R256 | H252-R254 PolarHBondContact O-N 3.19Å; R254-R256 PolarHBondContact O-N 3.37Å |
| 255 | A | 70.9 | Confident | 72.2 | Confident | 85 Ų | 85 | 136.8 Ų | 136.8 | 70% | 0.702 | 69% | 0.694 | S | S | * | * | | | trans | -50.1 | 137.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110 | V253 R257 | V253-A255 PolarHBondContact O-N 2.8Å; A255-R257 PolarHBondContact O-N 3.36Å |
| 256 | R | 72.7 | Confident | 74.8 | Confident | 238 Ų | 238 | 135.7 Ų | 135.7 | 90% | 0.898 | 68% | 0.679 | S | S | * | * | | | trans | -57.7 | 114.3 | 179 | -70.1 | -164.1 | 174.6 | -160.4 | 0.5 | 109.1 | R254 G258 | R254-R256 PolarHBondContact O-N 3.37Å; R256-G258 PolarHBondContact O-N 2.82Å |
| 257 | R | 73.8 | Confident | 77 | Confident | 222 Ų | 222 | 130 Ų | 130 | 84% | 0.838 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 123.9 | 177.6 | -176.5 | 164.7 | -177.8 | 144.3 | 0.4 | 109.2 | A255 | A255-R257 PolarHBondContact O-N 3.36Š|
| 258 | G | 67.6 | Low | 78.9 | Confident | 56 Ų | 56 | 123.1 Ų | 123.1 | 58% | 0.577 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 125.3 | 1.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | R256 A260 | R256-G258 PolarHBondContact O-N 2.82Å; G258-A260 VanDerWaalsContact C-N 3.29Å; G258-A260 PolarHBondContact O-N 3Å; G258-A260 VanDerWaalsContact O-N 3.16Å |
| 259 | Q | 71.6 | Confident | 80.6 | Confident | 156 Ų | 156 | 123.2 Ų | 123.2 | 73% | 0.729 | 63% | 0.628 | S | S | * | * | | | trans | -89.4 | 50.9 | -179.8 | -62.5 | -64.7 | -44.5 | 0 | 0 | 112.6 | T261 | Q259-T261 PolarHBondContact O-N 2.91Š|
| 260 | A | 73.7 | Confident | 82.3 | Confident | 55 Ų | 55 | 120.3 Ų | 120.3 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | | | trans | -67.2 | 103 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | G258 S265 R269 | G258-A260 VanDerWaalsContact C-N 3.29Å; G258-A260 PolarHBondContact O-N 3Å; G258-A260 VanDerWaalsContact O-N 3.16Å; A260-S265 PolarHBondContact O-OG 3.22Å; A260-S265 VanDerWaalsContact O-OG 3.12Å; A260-R269 PolarHBondContact O-NH2 3.48Å |
| 261 | T | 85.2 | Confident | 84 | Confident | 123 Ų | 123 | 119 Ų | 119 | 76% | 0.755 | 61% | 0.605 | S | S | * | * | | | trans | -103.9 | 5.3 | 179.2 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | Q259 | Q259-T261 PolarHBondContact O-N 2.91Š|
| 262 | N | 92.9 | Very high | 85.2 | Confident | 99 Ų | 99 | 119.4 Ų | 119.4 | 53% | 0.529 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -61 | 138.3 | 173.9 | 179.4 | -30.7 | 0 | 0 | 0 | 109.8 | H264 S265 L266 | N262-H264 PolarHBondContact O-N 3.47Å; N262-H264 VanDerWaalsContact O-N 3.17Å; N262-H264 PolarHBondContact OD1-N 2.98Å; N262-S265 PolarHBondContact N-OG 3.24Å; N262-S265 WeakPolarHBondContact O-CA 3.49Å; N262-S265 PolarHBondContact O-N 2.92Å; N262-S265 PolarHBondContact O-OG 2.71Å; N262-L266 PolarHBondContact O-N 3.42Å |
| 263 | S | 92.7 | Very high | 86.3 | Confident | 96 Ų | 96 | 117.4 Ų | 117.4 | 67% | 0.671 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -47.6 | -41.6 | 175.8 | 58.4 | 0 | 0 | 0 | 0 | 113.3 | L266 A267 | S263-L266 PolarHBondContact O-N 3Å; S263-A267 WeakPolarHBondContact O-CB 3.45Å; S263-A267 PolarHBondContact O-N 3.45Å |
| 264 | H | 96.1 | Very high | 87.3 | Confident | 138 Ų | 138 | 117.3 Ų | 117.3 | 64% | 0.639 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.5 | -42.7 | 176.6 | -179.6 | 69.8 | 0 | 0 | 0 | 112.4 | N262 L266 A267 E268 | N262-H264 PolarHBondContact O-N 3.47Å; N262-H264 VanDerWaalsContact O-N 3.17Å; N262-H264 PolarHBondContact OD1-N 2.98Å; H264-L266 VanDerWaalsContact C-N 3.31Å; H264-L266 PolarHBondContact O-N 3.13Å; H264-A267 PolarHBondContact O-N 3.07Å; H264-E268 WeakPolarHBondContact O-CB 3.33Å; H264-E268 PolarHBondContact O-N 3.43Å |
| 265 | S | 92.5 | Very high | 88.4 | Confident | 27 Ų | 27 | 111.1 Ų | 111.1 | 19% | 0.189 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -67.8 | -32.5 | 178.4 | 68.7 | 0 | 0 | 0 | 0 | 112.5 | A260 N262 R269 | A260-S265 PolarHBondContact O-OG 3.22Å; A260-S265 VanDerWaalsContact O-OG 3.12Å; N262-S265 PolarHBondContact N-OG 3.24Å; N262-S265 WeakPolarHBondContact O-CA 3.49Å; N262-S265 PolarHBondContact O-N 2.92Å; N262-S265 PolarHBondContact O-OG 2.71Å; S265-R269 WeakPolarHBondContact O-CB 3.29Å; S265-R269 PolarHBondContact O-N 2.96Å |
| 266 | L | 93.7 | Very high | 89.6 | Confident | 90 Ų | 90 | 109.8 Ų | 109.8 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.6 | -47 | 173 | -177 | 62.6 | 0 | 0 | 0 | 111 | N262 S263 H264 E268 R269 L270 | N262-L266 PolarHBondContact O-N 3.42Å; S263-L266 PolarHBondContact O-N 3Å; H264-L266 VanDerWaalsContact C-N 3.31Å; H264-L266 PolarHBondContact O-N 3.13Å; L266-E268 PolarHBondContact O-N 3.18Å; L266-R269 WeakPolarHBondContact O-CB 3.38Å; L266-R269 PolarHBondContact O-N 2.92Å; L266-L270 HydrophobicContact CG-CD1 4.33Å; L266-L270 WeakPolarHBondContact O-CG 3.19Å; L266-L270 PolarHBondContact O-N 3Å |
| 267 | A | 96 | Very high | 90.8 | Very high | 56 Ų | 56 | 104.1 Ų | 104.1 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S263 H264 L270 R271 | S263-A267 WeakPolarHBondContact O-CB 3.45Å; S263-A267 PolarHBondContact O-N 3.45Å; H264-A267 PolarHBondContact O-N 3.07Å; A267-L270 PolarHBondContact O-N 3.35Å; A267-R271 PolarHBondContact O-N 2.96Å |
| 268 | E | 96.3 | Very high | 91.9 | Very high | 48 Ų | 48 | 100.8 Ų | 100.8 | 22% | 0.224 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 175.8 | -179.7 | 63.4 | 103.1 | 0 | 0 | 111.7 | H264 L266 L270 R271 R272 | H264-E268 WeakPolarHBondContact O-CB 3.33Å; H264-E268 PolarHBondContact O-N 3.43Å; L266-E268 PolarHBondContact O-N 3.18Å; E268-L270 VanDerWaalsContact C-N 3.34Å; E268-L270 PolarHBondContact O-N 3.41Å; E268-R271 PolarHBondContact O-N 3.45Å; E268-R271 IonicContact OE1-NH1 3.81Å; E268-R271 IonicContact OE2-NH1 3.82Å; E268-R272 VanDerWaalsContact O-CG 3.31Å; E268-R272 WeakPolarHBondContact O-CG 3.23Å; E268-R272 PolarHBondContact O-N 2.82Å; E268-R272 IonicContact OE2-NE 3.6Å |
| 269 | R | 94.7 | Very high | 93.3 | Very high | 124 Ų | 124 | 100.1 Ų | 100.1 | 47% | 0.468 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 174.6 | -170.6 | -178.6 | -66.5 | 115.1 | -1.3 | 111.1 | A260 S265 L266 R271 R272 E273 | A260-R269 PolarHBondContact O-NH2 3.48Å; S265-R269 WeakPolarHBondContact O-CB 3.29Å; S265-R269 PolarHBondContact O-N 2.96Å; L266-R269 WeakPolarHBondContact O-CB 3.38Å; L266-R269 PolarHBondContact O-N 2.92Å; R269-R271 VanDerWaalsContact C-N 3.35Å; R269-R271 PolarHBondContact O-N 3.38Å; R269-R272 PolarHBondContact O-N 3.38Å; R269-E273 WeakPolarHBondContact O-CB 3.45Å; R269-E273 PolarHBondContact O-N 3.46Å |
| 270 | L | 95.9 | Very high | 94.5 | Very high | 98 Ų | 98 | 98.9 Ų | 98.9 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 176.3 | -69.3 | 169.6 | 0 | 0 | 0 | 112 | L266 A267 E268 E273 K274 | L266-L270 HydrophobicContact CG-CD1 4.33Å; L266-L270 WeakPolarHBondContact O-CG 3.19Å; L266-L270 PolarHBondContact O-N 3Å; A267-L270 PolarHBondContact O-N 3.35Å; E268-L270 VanDerWaalsContact C-N 3.34Å; E268-L270 PolarHBondContact O-N 3.41Å; L270-E273 PolarHBondContact O-N 2.95Å; L270-K274 WeakPolarHBondContact O-CB 3.19Å; L270-K274 PolarHBondContact O-N 3.32Å |
| 271 | R | 98.1 | Very high | 95.6 | Very high | 154 Ų | 154 | 100.9 Ų | 100.9 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.7 | -46.2 | 174.8 | -176.2 | -172.6 | 175.1 | -143.8 | 4.6 | 111.5 | A267 E268 R269 K274 I275 | A267-R271 PolarHBondContact O-N 2.96Å; E268-R271 PolarHBondContact O-N 3.45Å; E268-R271 IonicContact OE1-NH1 3.81Å; E268-R271 IonicContact OE2-NH1 3.82Å; R269-R271 VanDerWaalsContact C-N 3.35Å; R269-R271 PolarHBondContact O-N 3.38Å; R271-K274 PolarHBondContact O-N 3.1Å; R271-I275 HydrophobicContact CG-CD1 4.14Å; R271-I275 WeakPolarHBondContact O-CG1 3.34Å; R271-I275 PolarHBondContact O-N 3.19Å |
| 272 | R | 97.3 | Very high | 96.2 | Very high | 158 Ų | 158 | 98.1 Ų | 98.1 | 60% | 0.596 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.1 | -37.7 | 179.7 | -69.7 | 174.7 | -174 | -164.9 | 3.8 | 112.7 | E268 R269 I275 S276 | E268-R272 VanDerWaalsContact O-CG 3.31Å; E268-R272 WeakPolarHBondContact O-CG 3.23Å; E268-R272 PolarHBondContact O-N 2.82Å; E268-R272 IonicContact OE2-NE 3.6Å; R269-R272 PolarHBondContact O-N 3.38Å; R272-I275 PolarHBondContact O-N 3.5Å; R272-S276 WeakPolarHBondContact O-CB 3.48Å; R272-S276 PolarHBondContact O-N 3.45Å; R272-S276 PolarHBondContact O-OG 3.28Å |
| 273 | E | 97.5 | Very high | 96.3 | Very high | 125 Ų | 125 | 95.6 Ų | 95.6 | 58% | 0.584 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61 | -51.1 | 174.1 | -177.6 | 172.1 | -158.1 | 0 | 0 | 110.6 | R269 L270 I275 S276 E277 | R269-E273 WeakPolarHBondContact O-CB 3.45Å; R269-E273 PolarHBondContact O-N 3.46Å; L270-E273 PolarHBondContact O-N 2.95Å; E273-I275 VanDerWaalsContact C-N 3.32Å; E273-I275 PolarHBondContact O-N 3.2Å; E273-S276 PolarHBondContact O-N 3.45Å; E273-E277 PolarHBondContact O-N 3.38Å |
| 274 | K | 98.3 | Very high | 96.5 | Very high | 118 Ų | 118 | 96.2 Ų | 96.2 | 51% | 0.513 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.8 | -39.2 | 176.9 | -171.7 | 173.7 | -174.8 | 172 | 0 | 113.3 | L270 R271 R278 | L270-K274 WeakPolarHBondContact O-CB 3.19Å; L270-K274 PolarHBondContact O-N 3.32Å; R271-K274 PolarHBondContact O-N 3.1Å; K274-R278 WeakPolarHBondContact O-CG 3.23Å; K274-R278 PolarHBondContact O-N 3.27Å |
| 275 | I | 98 | Very high | 96.5 | Very high | 68 Ų | 68 | 95.7 Ų | 95.7 | 35% | 0.349 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 174.5 | -68.4 | 167.6 | 0 | 0 | 0 | 110.2 | R271 R272 E273 R278 M279 | R271-I275 HydrophobicContact CG-CD1 4.14Å; R271-I275 WeakPolarHBondContact O-CG1 3.34Å; R271-I275 PolarHBondContact O-N 3.19Å; R272-I275 PolarHBondContact O-N 3.5Å; E273-I275 VanDerWaalsContact C-N 3.32Å; E273-I275 PolarHBondContact O-N 3.2Å; I275-R278 PolarHBondContact O-N 3.49Å; I275-M279 HydrophobicContact CG2-CE 4.32Å; I275-M279 HydrophobicContact CG2-CG 4.34Å; I275-M279 VanDerWaalsContact O-CG 3.22Å; I275-M279 WeakPolarHBondContact O-CG 3.36Å; I275-M279 PolarHBondContact O-N 3.35Å |
| 276 | S | 96.9 | Very high | 96.7 | Very high | 56 Ų | 56 | 95 Ų | 95 | 39% | 0.392 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.5 | -36.5 | -177.8 | -56.1 | 0 | 0 | 0 | 0 | 112.2 | R272 E273 M279 K280 | R272-S276 WeakPolarHBondContact O-CB 3.48Å; R272-S276 PolarHBondContact O-N 3.45Å; R272-S276 PolarHBondContact O-OG 3.28Å; E273-S276 PolarHBondContact O-N 3.45Å; S276-M279 PolarHBondContact O-N 2.97Å; S276-K280 PolarHBondContact O-N 2.93Å |
| 277 | E | 97.9 | Very high | 96.9 | Very high | 120 Ų | 120 | 94.8 Ų | 94.8 | 56% | 0.561 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -59.3 | -50.1 | 171.4 | -176.4 | -174.3 | -165.9 | 0 | 0 | 111.1 | E273 M279 K280 L281 | E273-E277 PolarHBondContact O-N 3.38Å; E277-M279 VanDerWaalsContact C-N 3.29Å; E277-M279 PolarHBondContact O-N 3.27Å; E277-K280 WeakPolarHBondContact O-CB 3.31Å; E277-K280 PolarHBondContact O-N 3.04Å; E277-K280 VanDerWaalsContact O-N 3.1Å; E277-L281 PolarHBondContact O-N 3.4Å |
| 278 | R | 97.9 | Very high | 96.7 | Very high | 151 Ų | 151 | 94.2 Ų | 94.2 | 57% | 0.57 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61.3 | -37.2 | 176.7 | -71.1 | 179.7 | 177.3 | -162.7 | -3.9 | 112.6 | K274 I275 K280 L281 L282 | K274-R278 WeakPolarHBondContact O-CG 3.23Å; K274-R278 PolarHBondContact O-N 3.27Å; I275-R278 PolarHBondContact O-N 3.49Å; R278-K280 VanDerWaalsContact C-N 3.32Å; R278-K280 PolarHBondContact O-N 2.98Å; R278-L281 PolarHBondContact O-N 3.47Å; R278-L282 WeakPolarHBondContact O-CG 3.49Å; R278-L282 PolarHBondContact O-N 3.04Å |
| 279 | M | 96.6 | Very high | 96.7 | Very high | 42 Ų | 42 | 91.9 Ų | 91.9 | 21% | 0.207 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 175.1 | -70.2 | -71.5 | 159.8 | 0 | 0 | 111.7 | I275 S276 E277 L282 Q283 L299 | I275-M279 HydrophobicContact CG2-CE 4.32Å; I275-M279 HydrophobicContact CG2-CG 4.34Å; I275-M279 VanDerWaalsContact O-CG 3.22Å; I275-M279 WeakPolarHBondContact O-CG 3.36Å; I275-M279 PolarHBondContact O-N 3.35Å; S276-M279 PolarHBondContact O-N 2.97Å; E277-M279 VanDerWaalsContact C-N 3.29Å; E277-M279 PolarHBondContact O-N 3.27Å; M279-L282 PolarHBondContact O-N 2.94Å; M279-Q283 PolarHBondContact O-N 3.44Å; M279-L299 HydrophobicContact CE-CD2 4.22Å; M279-L299 HydrophobicContact SD-CD2 4.12Å |
| 280 | K | 96.3 | Very high | 96.7 | Very high | 131 Ų | 131 | 90.2 Ų | 90.2 | 57% | 0.57 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -66.9 | -45.5 | 176.2 | -172.1 | -179.6 | 177.8 | -176 | 0 | 111.9 | S276 E277 R278 L282 Q283 D284 | S276-K280 PolarHBondContact O-N 2.93Å; E277-K280 WeakPolarHBondContact O-CB 3.31Å; E277-K280 PolarHBondContact O-N 3.04Å; E277-K280 VanDerWaalsContact O-N 3.1Å; R278-K280 VanDerWaalsContact C-N 3.32Å; R278-K280 PolarHBondContact O-N 2.98Å; K280-L282 VanDerWaalsContact C-N 3.29Å; K280-L282 PolarHBondContact O-N 3.41Å; K280-Q283 WeakPolarHBondContact O-CA 3.3Å; K280-Q283 WeakPolarHBondContact O-CB 3.48Å; K280-Q283 PolarHBondContact O-N 3.44Å; K280-D284 VanDerWaalsContact O-CG 3.32Å; K280-D284 PolarHBondContact O-N 3.48Å |
| 281 | L | 96.9 | Very high | 96.6 | Very high | 97 Ų | 97 | 94 Ų | 94 | 51% | 0.508 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.7 | -41.8 | 176.2 | -68.2 | 175.3 | 0 | 0 | 0 | 112 | E277 R278 Q283 D284 L285 | E277-L281 PolarHBondContact O-N 3.4Å; R278-L281 PolarHBondContact O-N 3.47Å; L281-Q283 VanDerWaalsContact C-N 3.34Å; L281-D284 PolarHBondContact O-N 2.8Å; L281-L285 WeakPolarHBondContact O-CG 3.39Å; L281-L285 PolarHBondContact O-N 3.23Å |
| 282 | L | 96.9 | Very high | 96.4 | Very high | 65 Ų | 65 | 88 Ų | 88 | 34% | 0.34 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 174.4 | -72.8 | 172.1 | 0 | 0 | 0 | 112 | R278 M279 K280 D284 L285 V286 I302 | R278-L282 WeakPolarHBondContact O-CG 3.49Å; R278-L282 PolarHBondContact O-N 3.04Å; M279-L282 PolarHBondContact O-N 2.94Å; K280-L282 VanDerWaalsContact C-N 3.29Å; K280-L282 PolarHBondContact O-N 3.41Å; L282-D284 VanDerWaalsContact C-N 3.3Å; L282-D284 PolarHBondContact O-N 2.92Å; L282-L285 PolarHBondContact O-N 3.37Å; L282-V286 WeakPolarHBondContact O-CG2 3.28Å; L282-V286 PolarHBondContact O-N 3.14Å; L282-I302 HydrophobicContact CB-CD1 3.72Å; L282-I302 HydrophobicContact CD1-CD1 4.34Å |
| 283 | Q | 96.3 | Very high | 96.2 | Very high | 45 Ų | 45 | 86.8 Ų | 86.8 | 21% | 0.21 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -61.9 | -37.7 | 176.8 | -174.5 | 176 | 38.3 | 0 | 0 | 112.4 | M279 K280 L281 C289 M298 | M279-Q283 PolarHBondContact O-N 3.44Å; K280-Q283 WeakPolarHBondContact O-CA 3.3Å; K280-Q283 WeakPolarHBondContact O-CB 3.48Å; K280-Q283 PolarHBondContact O-N 3.44Å; L281-Q283 VanDerWaalsContact C-N 3.34Å; Q283-C289 HydrophobicContact CG-CB 4.1Å; Q283-C289 PolarHBondContact NE2-O 3.35Å; Q283-M298 HydrophobicContact CB-SD 4.5Å; Q283-M298 HydrophobicContact CG-CE 4.47Å |
| 284 | D | 96.3 | Very high | 96.2 | Very high | 109 Ų | 109 | 82.8 Ų | 82.8 | 58% | 0.583 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -72.8 | -27.3 | -179.1 | -65.5 | -23.4 | 0 | 0 | 0 | 112.8 | K280 L281 L282 | K280-D284 VanDerWaalsContact O-CG 3.32Å; K280-D284 PolarHBondContact O-N 3.48Å; L281-D284 PolarHBondContact O-N 2.8Å; L282-D284 VanDerWaalsContact C-N 3.3Å; L282-D284 PolarHBondContact O-N 2.92Å |
| 285 | L | 97.2 | Very high | 96 | Very high | 127 Ų | 127 | 83.2 Ų | 83.2 | 67% | 0.665 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -83 | -22.8 | 179 | -68.6 | 172.6 | 0 | 0 | 0 | 113.8 | L281 L282 | L281-L285 WeakPolarHBondContact O-CG 3.39Å; L281-L285 PolarHBondContact O-N 3.23Å; L282-L285 PolarHBondContact O-N 3.37Å |
| 286 | V | 96.7 | Very high | 96 | Very high | 12 Ų | 12 | 83.3 Ų | 83.3 | 7% | 0.073 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -101.9 | 118.9 | -171.3 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | L282 G288 C289 I302 Y305 | L282-V286 WeakPolarHBondContact O-CG2 3.28Å; L282-V286 PolarHBondContact O-N 3.14Å; V286-G288 PolarHBondContact O-N 3.41Å; V286-C289 HydrophobicContact CB-CB 3.8Å; V286-C289 HydrophobicContact CG1-CB 3.94Å; V286-C289 VanDerWaalsContact O-CB 3.26Å; V286-C289 WeakPolarHBondContact O-CB 3.39Å; V286-C289 PolarHBondContact O-N 3.12Å; V286-I302 HydrophobicContact CB-CG1 4.21Å; V286-I302 HydrophobicContact CG1-CG1 4.42Å; V286-I302 HydrophobicContact CG2-CB 4.25Å; V286-I302 HydrophobicContact CG2-CG1 3.75Å; V286-I302 HydrophobicContact CG2-CG2 4.22Å; V286-Y305 HydrophobicContact CB-CD1 4.3Å; V286-Y305 HydrophobicContact CG1-CD1 4.12Å; V286-Y305 HydrophobicContact CG1-CG 4Å; V286-Y305 HydrophobicContact CG2-CD1 3.77Å; V286-Y305 HydrophobicContact CG2-CE1 4.46Å; V286-Y305 HydrophobicContact CG2-CG 4.45Å |
| 287 | P | 96.1 | Very high | 96 | Very high | 86 Ų | 86 | 84.1 Ų | 84.1 | 56% | 0.558 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 131 | 174.9 | -24.9 | 34.5 | 0 | 0 | 0 | 111.9 | C289 Y305 | P287-C289 VanDerWaalsContact C-N 3.27Å; P287-C289 PolarHBondContact O-N 3.29Å; P287-Y305 HydrophobicContact CG-CD2 4.34Å; P287-Y305 HydrophobicContact CG-CE2 3.86Å |
| 288 | G | 92.6 | Very high | 95.9 | Very high | 44 Ų | 44 | 79.4 Ų | 79.4 | 45% | 0.454 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | -15.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | V286 S290 K291 | V286-G288 PolarHBondContact O-N 3.41Å; G288-S290 VanDerWaalsContact C-N 3.28Å; G288-S290 PolarHBondContact O-N 3.49Å; G288-K291 PolarHBondContact O-N 3Å |
| 289 | C | 95.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -67.4 | -26.3 | -174.8 | -158.9 | 0 | 0 | 0 | 0 | 113.5 | Q283 V286 P287 K291 V292 M298 | Q283-C289 HydrophobicContact CG-CB 4.1Å; Q283-C289 PolarHBondContact NE2-O 3.35Å; V286-C289 HydrophobicContact CB-CB 3.8Å; V286-C289 HydrophobicContact CG1-CB 3.94Å; V286-C289 VanDerWaalsContact O-CB 3.26Å; V286-C289 WeakPolarHBondContact O-CB 3.39Å; V286-C289 PolarHBondContact O-N 3.12Å; P287-C289 VanDerWaalsContact C-N 3.27Å; P287-C289 PolarHBondContact O-N 3.29Å; C289-K291 PolarHBondContact O-N 3.22Å; C289-K291 VanDerWaalsContact O-N 3.14Å; C289-V292 WeakPolarHBondContact O-CB 3.28Å; C289-V292 PolarHBondContact O-N 3.07Å; C289-V292 VanDerWaalsContact O-N 3.13Å; C289-M298 WeakPolarHBondContact SG-CG 3.49Å |
| 290 | S | 94.4 | Very high | 96 | Very high | 88 Ų | 88 | 77.3 Ų | 77.3 | 62% | 0.615 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -60.2 | -22.8 | 177.1 | 60.4 | 0 | 0 | 0 | 0 | 114.5 | G288 | G288-S290 VanDerWaalsContact C-N 3.28Å; G288-S290 PolarHBondContact O-N 3.49Å |
| 291 | K | 94.3 | Very high | 96 | Very high | 179 Ų | 179 | 74.7 Ų | 74.7 | 78% | 0.778 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -95.7 | -8.9 | -178.9 | -58.3 | 177.7 | -175.2 | 179.2 | 0 | 113 | G288 C289 T293 | G288-K291 PolarHBondContact O-N 3Å; C289-K291 PolarHBondContact O-N 3.22Å; C289-K291 VanDerWaalsContact O-N 3.14Å; K291-T293 PolarHBondContact O-N 3.4Å |
| 292 | V | 94.3 | Very high | 96 | Very high | 27 Ų | 27 | 70.9 Ų | 70.9 | 16% | 0.164 | 41% | 0.409 | C | S | . | . | | | trans | -76.8 | 126.6 | -174.5 | -178 | 0 | 0 | 0 | 0 | 109.8 | C289 V297 M298 E301 | C289-V292 WeakPolarHBondContact O-CB 3.28Å; C289-V292 PolarHBondContact O-N 3.07Å; C289-V292 VanDerWaalsContact O-N 3.13Å; V292-V297 HydrophobicContact CG1-CB 3.66Å; V292-V297 HydrophobicContact CG1-CG1 3.58Å; V292-M298 HydrophobicContact CG1-CB 4.16Å; V292-M298 VanDerWaalsContact CG1-N 3.33Å; V292-E301 HydrophobicContact CG2-CB 4.39Å; V292-E301 HydrophobicContact CG2-CG 3.75Å |
| 293 | T | 94.1 | Very high | 96.1 | Very high | 133 Ų | 133 | 72 Ų | 72 | 82% | 0.816 | 41% | 0.414 | S | S | * | . | | | trans | -97.3 | 116.4 | 176.3 | -61.3 | 0 | 0 | 0 | 0 | 109.7 | K291 | K291-T293 PolarHBondContact O-N 3.4Š|
| 294 | G | 95.8 | Very high | 96.1 | Very high | 41 Ų | 41 | 73.5 Ų | 73.5 | 42% | 0.423 | 42% | 0.424 | S | S | . | . | S | Bend | trans | 105.2 | 142.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A296 M298 | G294-A296 PolarHBondContact O-N 3.35Å; G294-M298 VanDerWaalsContact O-CB 3.24Å; G294-M298 WeakPolarHBondContact O-CB 3.19Å; G294-M298 PolarHBondContact O-N 3.19Å |
| 295 | K | 95.8 | Very high | 96.2 | Very high | 126 Ų | 126 | 71.9 Ų | 71.9 | 55% | 0.548 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.5 | -33.6 | -174.4 | -65.9 | -173.8 | 176.8 | -174.8 | 0 | 113.7 | L299 | K295-L299 VanDerWaalsContact O-CG 3.29Å; K295-L299 WeakPolarHBondContact O-CG 3.36Å; K295-L299 PolarHBondContact O-N 3.27Å; K295-L299 VanDerWaalsContact O-N 3.16Å |
| 296 | A | 97.1 | Very high | 96.3 | Very high | 70 Ų | 70 | 69.1 Ų | 69.1 | 58% | 0.579 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66 | -56.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G294 M298 L299 D300 | G294-A296 PolarHBondContact O-N 3.35Å; A296-M298 PolarHBondContact O-N 3.34Å; A296-L299 WeakPolarHBondContact O-CB 3.23Å; A296-L299 PolarHBondContact O-N 3.08Å; A296-D300 PolarHBondContact O-N 3Å; A296-D300 VanDerWaalsContact O-N 3.08Å |
| 297 | V | 96.1 | Very high | 96.3 | Very high | 73 Ų | 73 | 72.6 Ų | 72.6 | 44% | 0.442 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.4 | -36.3 | 178 | -170.2 | 0 | 0 | 0 | 0 | 111.4 | V292 L299 D300 E301 | V292-V297 HydrophobicContact CG1-CB 3.66Å; V292-V297 HydrophobicContact CG1-CG1 3.58Å; V297-L299 VanDerWaalsContact C-N 3.3Å; V297-L299 PolarHBondContact O-N 3.26Å; V297-D300 WeakPolarHBondContact O-CB 3.49Å; V297-D300 PolarHBondContact O-N 3.16Å; V297-E301 PolarHBondContact O-N 3.27Å; V297-E301 VanDerWaalsContact O-N 3.07Å |
| 298 | M | 97.2 | Very high | 96.4 | Very high | 21 Ų | 21 | 69.9 Ų | 69.9 | 10% | 0.103 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -57.5 | -44 | 174.4 | -179.3 | -167.7 | -73.8 | 0 | 0 | 111.7 | Q283 C289 V292 G294 A296 E301 I302 | Q283-M298 HydrophobicContact CB-SD 4.5Å; Q283-M298 HydrophobicContact CG-CE 4.47Å; C289-M298 WeakPolarHBondContact SG-CG 3.49Å; V292-M298 HydrophobicContact CG1-CB 4.16Å; V292-M298 VanDerWaalsContact CG1-N 3.33Å; G294-M298 VanDerWaalsContact O-CB 3.24Å; G294-M298 WeakPolarHBondContact O-CB 3.19Å; G294-M298 PolarHBondContact O-N 3.19Å; A296-M298 PolarHBondContact O-N 3.34Å; M298-E301 PolarHBondContact O-N 3.26Å; M298-I302 HydrophobicContact CG-CD1 4.03Å; M298-I302 WeakPolarHBondContact O-CD1 3.42Å; M298-I302 VanDerWaalsContact O-CG1 3.26Å; M298-I302 WeakPolarHBondContact O-CG1 3.38Å; M298-I302 PolarHBondContact O-N 3.12Å; M298-I302 VanDerWaalsContact O-N 3.12Å |
| 299 | L | 97.8 | Very high | 96.7 | Very high | 65 Ų | 65 | 70.9 Ų | 70.9 | 34% | 0.34 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.2 | -35.6 | 178.3 | -69 | 171.4 | 0 | 0 | 0 | 111.9 | M279 K295 A296 V297 E301 I302 I303 | M279-L299 HydrophobicContact CE-CD2 4.22Å; M279-L299 HydrophobicContact SD-CD2 4.12Å; K295-L299 VanDerWaalsContact O-CG 3.29Å; K295-L299 WeakPolarHBondContact O-CG 3.36Å; K295-L299 PolarHBondContact O-N 3.27Å; K295-L299 VanDerWaalsContact O-N 3.16Å; A296-L299 WeakPolarHBondContact O-CB 3.23Å; A296-L299 PolarHBondContact O-N 3.08Å; V297-L299 VanDerWaalsContact C-N 3.3Å; V297-L299 PolarHBondContact O-N 3.26Å; L299-E301 PolarHBondContact O-N 2.9Å; L299-I302 HydrophobicContact CD2-CD1 4.13Å; L299-I302 PolarHBondContact O-N 3.37Å; L299-I303 WeakPolarHBondContact O-CD1 3.33Å; L299-I303 VanDerWaalsContact O-CG1 3.25Å; L299-I303 WeakPolarHBondContact O-CG1 3.3Å; L299-I303 PolarHBondContact O-N 2.95Å |
| 300 | D | 97.1 | Very high | 96.8 | Very high | 85 Ų | 85 | 76.7 Ų | 76.7 | 46% | 0.455 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 174.7 | -61.9 | -33.6 | 0 | 0 | 0 | 111.1 | A296 V297 I302 I303 N304 | A296-D300 PolarHBondContact O-N 3Å; A296-D300 VanDerWaalsContact O-N 3.08Å; V297-D300 WeakPolarHBondContact O-CB 3.49Å; V297-D300 PolarHBondContact O-N 3.16Å; D300-I302 PolarHBondContact O-N 3.45Å; D300-I303 PolarHBondContact O-N 2.94Å; D300-N304 WeakPolarHBondContact O-CB 3.21Å; D300-N304 PolarHBondContact O-N 3.42Å; D300-N304 PolarHBondContact O-ND2 3.41Å |
| 301 | E | 97.2 | Very high | 97 | Very high | 76 Ų | 76 | 79.5 Ų | 79.5 | 36% | 0.355 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 176.4 | -68.8 | -56.8 | 123.1 | 0 | 0 | 112.7 | V292 V297 M298 L299 N304 Y305 | V292-E301 HydrophobicContact CG2-CB 4.39Å; V292-E301 HydrophobicContact CG2-CG 3.75Å; V297-E301 PolarHBondContact O-N 3.27Å; V297-E301 VanDerWaalsContact O-N 3.07Å; M298-E301 PolarHBondContact O-N 3.26Å; L299-E301 PolarHBondContact O-N 2.9Å; E301-N304 PolarHBondContact O-N 3.48Å; E301-Y305 PolarHBondContact O-N 3.38Å |
| 302 | I | 97.7 | Very high | 97.1 | Very high | 16 Ų | 16 | 76.5 Ų | 76.5 | 8% | 0.082 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 175.2 | -68.3 | 158 | 0 | 0 | 0 | 110.8 | L282 V286 M298 L299 D300 N304 Y305 V306 | L282-I302 HydrophobicContact CB-CD1 3.72Å; L282-I302 HydrophobicContact CD1-CD1 4.34Å; V286-I302 HydrophobicContact CB-CG1 4.21Å; V286-I302 HydrophobicContact CG1-CG1 4.42Å; V286-I302 HydrophobicContact CG2-CB 4.25Å; V286-I302 HydrophobicContact CG2-CG1 3.75Å; V286-I302 HydrophobicContact CG2-CG2 4.22Å; M298-I302 HydrophobicContact CG-CD1 4.03Å; M298-I302 WeakPolarHBondContact O-CD1 3.42Å; M298-I302 VanDerWaalsContact O-CG1 3.26Å; M298-I302 WeakPolarHBondContact O-CG1 3.38Å; M298-I302 PolarHBondContact O-N 3.12Å; M298-I302 VanDerWaalsContact O-N 3.12Å; L299-I302 HydrophobicContact CD2-CD1 4.13Å; L299-I302 PolarHBondContact O-N 3.37Å; D300-I302 PolarHBondContact O-N 3.45Å; I302-N304 VanDerWaalsContact C-N 3.32Å; I302-N304 PolarHBondContact O-N 3.5Å; I302-Y305 PolarHBondContact O-N 3.13Å; I302-V306 WeakPolarHBondContact O-CG2 3.46Å; I302-V306 PolarHBondContact O-N 3.35Å |
| 303 | I | 97.5 | Very high | 97.2 | Very high | 88 Ų | 88 | 79.6 Ų | 79.6 | 45% | 0.451 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 177.6 | -68.6 | 162.9 | 0 | 0 | 0 | 110 | L299 D300 Y305 V306 Q307 | L299-I303 WeakPolarHBondContact O-CD1 3.33Å; L299-I303 VanDerWaalsContact O-CG1 3.25Å; L299-I303 WeakPolarHBondContact O-CG1 3.3Å; L299-I303 PolarHBondContact O-N 2.95Å; D300-I303 PolarHBondContact O-N 2.94Å; I303-Y305 VanDerWaalsContact C-N 3.31Å; I303-Y305 PolarHBondContact O-N 3.48Å; I303-V306 PolarHBondContact O-N 3.28Å; I303-Q307 HydrophobicContact CG2-CG 4.45Å; I303-Q307 WeakPolarHBondContact O-CG 3.36Å; I303-Q307 PolarHBondContact O-N 2.92Å |
| 304 | N | 97.3 | Very high | 97.3 | Very high | 77 Ų | 77 | 79.6 Ų | 79.6 | 41% | 0.412 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.3 | -43.1 | 177.5 | -71 | -27 | 0 | 0 | 0 | 111.8 | D300 E301 I302 Q307 S308 | D300-N304 WeakPolarHBondContact O-CB 3.21Å; D300-N304 PolarHBondContact O-N 3.42Å; D300-N304 PolarHBondContact O-ND2 3.41Å; E301-N304 PolarHBondContact O-N 3.48Å; I302-N304 VanDerWaalsContact C-N 3.32Å; I302-N304 PolarHBondContact O-N 3.5Å; N304-Q307 PolarHBondContact O-N 3Å; N304-S308 WeakPolarHBondContact O-CB 3.49Å; N304-S308 PolarHBondContact O-N 3.09Å |
| 305 | Y | 98.3 | Very high | 97.3 | Very high | 76 Ų | 76 | 83.4 Ų | 83.4 | 30% | 0.298 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 177.5 | -178.5 | -120.8 | 0 | 0 | 0 | 112.2 | V286 P287 E301 I302 I303 Q307 S308 L309 | V286-Y305 HydrophobicContact CB-CD1 4.3Å; V286-Y305 HydrophobicContact CG1-CD1 4.12Å; V286-Y305 HydrophobicContact CG1-CG 4Å; V286-Y305 HydrophobicContact CG2-CD1 3.77Å; V286-Y305 HydrophobicContact CG2-CE1 4.46Å; V286-Y305 HydrophobicContact CG2-CG 4.45Å; P287-Y305 HydrophobicContact CG-CD2 4.34Å; P287-Y305 HydrophobicContact CG-CE2 3.86Å; E301-Y305 PolarHBondContact O-N 3.38Å; I302-Y305 PolarHBondContact O-N 3.13Å; I303-Y305 VanDerWaalsContact C-N 3.31Å; I303-Y305 PolarHBondContact O-N 3.48Å; Y305-Q307 VanDerWaalsContact C-N 3.34Å; Y305-Q307 PolarHBondContact O-N 3.14Å; Y305-S308 PolarHBondContact O-N 3.04Å; Y305-S308 VanDerWaalsContact O-N 3.13Å; Y305-S308 PolarHBondContact O-OG 3.06Å; Y305-L309 HydrophobicContact CD1-CD1 3.87Å; Y305-L309 HydrophobicContact CD2-CG 4.4Å; Y305-L309 HydrophobicContact CE1-CD1 3.45Å; Y305-L309 VanDerWaalsContact CE1-CD1 3.45Å; Y305-L309 HydrophobicContact CE1-CG 4.21Å; Y305-L309 HydrophobicContact CE2-CD1 4.18Å; Y305-L309 HydrophobicContact CE2-CD2 4.19Å; Y305-L309 HydrophobicContact CE2-CG 4.02Å; Y305-L309 HydrophobicContact CG-CD1 4.44Å; Y305-L309 WeakPolarHBondContact O-CG 3.26Å; Y305-L309 PolarHBondContact O-N 3.33Å |
| 306 | V | 98.2 | Very high | 97.3 | Very high | 68 Ų | 68 | 82.1 Ų | 82.1 | 41% | 0.412 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.9 | -44.6 | 177.1 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | I302 I303 S308 L309 Q310 | I302-V306 WeakPolarHBondContact O-CG2 3.46Å; I302-V306 PolarHBondContact O-N 3.35Å; I303-V306 PolarHBondContact O-N 3.28Å; V306-S308 VanDerWaalsContact C-N 3.33Å; V306-S308 PolarHBondContact O-N 2.97Å; V306-L309 PolarHBondContact O-N 3.36Å; V306-Q310 WeakPolarHBondContact O-CG 3.29Å; V306-Q310 PolarHBondContact O-N 3.43Å |
| 307 | Q | 98.4 | Very high | 97 | Very high | 85 Ų | 85 | 81.7 Ų | 81.7 | 40% | 0.397 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 175.9 | -71 | 178.4 | -5.9 | 0 | 0 | 112.2 | I303 N304 Y305 L309 Q310 R311 | I303-Q307 HydrophobicContact CG2-CG 4.45Å; I303-Q307 WeakPolarHBondContact O-CG 3.36Å; I303-Q307 PolarHBondContact O-N 2.92Å; N304-Q307 PolarHBondContact O-N 3Å; Y305-Q307 VanDerWaalsContact C-N 3.34Å; Y305-Q307 PolarHBondContact O-N 3.14Å; Q307-L309 VanDerWaalsContact C-N 3.34Å; Q307-Q310 PolarHBondContact O-N 3.29Å; Q307-R311 WeakPolarHBondContact O-CG 3.47Å; Q307-R311 PolarHBondContact O-N 3.49Å; Q307-R311 VanDerWaalsContact O-N 3.07Å |
| 308 | S | 98 | Very high | 96.9 | Very high | 30 Ų | 30 | 84.1 Ų | 84.1 | 21% | 0.21 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64 | -39.4 | 175.7 | 82.6 | 0 | 0 | 0 | 0 | 112.1 | N304 Y305 V306 R311 Q312 | N304-S308 WeakPolarHBondContact O-CB 3.49Å; N304-S308 PolarHBondContact O-N 3.09Å; Y305-S308 PolarHBondContact O-N 3.04Å; Y305-S308 VanDerWaalsContact O-N 3.13Å; Y305-S308 PolarHBondContact O-OG 3.06Å; V306-S308 VanDerWaalsContact C-N 3.33Å; V306-S308 PolarHBondContact O-N 2.97Å; S308-R311 PolarHBondContact O-N 2.88Å; S308-Q312 VanDerWaalsContact O-CG 3.3Å; S308-Q312 WeakPolarHBondContact O-CG 3.46Å; S308-Q312 PolarHBondContact O-N 3.03Å |
| 309 | L | 98.1 | Very high | 96.6 | Very high | 64 Ų | 64 | 88.2 Ų | 88.2 | 34% | 0.335 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66 | -43.1 | 176.4 | -75 | 174.3 | 0 | 0 | 0 | 111.4 | Y305 V306 Q307 R311 Q312 V313 | Y305-L309 HydrophobicContact CD1-CD1 3.87Å; Y305-L309 HydrophobicContact CD2-CG 4.4Å; Y305-L309 HydrophobicContact CE1-CD1 3.45Å; Y305-L309 VanDerWaalsContact CE1-CD1 3.45Å; Y305-L309 HydrophobicContact CE1-CG 4.21Å; Y305-L309 HydrophobicContact CE2-CD1 4.18Å; Y305-L309 HydrophobicContact CE2-CD2 4.19Å; Y305-L309 HydrophobicContact CE2-CG 4.02Å; Y305-L309 HydrophobicContact CG-CD1 4.44Å; Y305-L309 WeakPolarHBondContact O-CG 3.26Å; Y305-L309 PolarHBondContact O-N 3.33Å; V306-L309 PolarHBondContact O-N 3.36Å; Q307-L309 VanDerWaalsContact C-N 3.34Å; L309-R311 VanDerWaalsContact C-N 3.35Å; L309-R311 PolarHBondContact O-N 3.24Å; L309-Q312 WeakPolarHBondContact O-CB 3.25Å; L309-Q312 PolarHBondContact O-N 2.97Å; L309-V313 WeakPolarHBondContact O-CG2 3.26Å; L309-V313 PolarHBondContact O-N 3.16Å |
| 310 | Q | 97.8 | Very high | 96.4 | Very high | 123 Ų | 123 | 88.8 Ų | 88.8 | 58% | 0.575 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -58.1 | -46.6 | 175 | -73.2 | 173 | -18.7 | 0 | 0 | 111.6 | V306 Q307 Q312 V313 E314 | V306-Q310 WeakPolarHBondContact O-CG 3.29Å; V306-Q310 PolarHBondContact O-N 3.43Å; Q307-Q310 PolarHBondContact O-N 3.29Å; Q310-Q312 VanDerWaalsContact C-N 3.32Å; Q310-Q312 PolarHBondContact O-N 2.9Å; Q310-V313 PolarHBondContact O-N 3.48Å; Q310-E314 WeakPolarHBondContact O-CB 3.42Å; Q310-E314 PolarHBondContact O-N 2.9Å |
| 311 | R | 98 | Very high | 96 | Very high | 147 Ų | 147 | 85.6 Ų | 85.6 | 56% | 0.555 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -61 | -38.5 | 175.3 | -72.4 | -177.2 | -70.3 | -135.7 | -2.4 | 112.8 | Q307 S308 L309 F315 | Q307-R311 WeakPolarHBondContact O-CG 3.47Å; Q307-R311 PolarHBondContact O-N 3.49Å; Q307-R311 VanDerWaalsContact O-N 3.07Å; S308-R311 PolarHBondContact O-N 2.88Å; L309-R311 VanDerWaalsContact C-N 3.35Å; L309-R311 PolarHBondContact O-N 3.24Å; R311-F315 VanDerWaalsContact O-CB 3.28Å; R311-F315 WeakPolarHBondContact O-CB 3.33Å; R311-F315 PolarHBondContact O-N 3.35Å |
| 312 | Q | 97.8 | Very high | 95.5 | Very high | 115 Ų | 115 | 86.9 Ų | 86.9 | 54% | 0.537 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 176 | -73.6 | 172 | 48.7 | 0 | 0 | 111.9 | S308 L309 Q310 F315 L316 | S308-Q312 VanDerWaalsContact O-CG 3.3Å; S308-Q312 WeakPolarHBondContact O-CG 3.46Å; S308-Q312 PolarHBondContact O-N 3.03Å; L309-Q312 WeakPolarHBondContact O-CB 3.25Å; L309-Q312 PolarHBondContact O-N 2.97Å; Q310-Q312 VanDerWaalsContact C-N 3.32Å; Q310-Q312 PolarHBondContact O-N 2.9Å; Q312-F315 PolarHBondContact O-N 3.01Å; Q312-L316 WeakPolarHBondContact O-CB 3.38Å; Q312-L316 PolarHBondContact O-N 3.49Å |
| 313 | V | 96.3 | Very high | 95.2 | Very high | 93 Ų | 93 | 91.1 Ų | 91.1 | 56% | 0.564 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.5 | -46.5 | 175.7 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | L309 Q310 F315 L316 S317 | L309-V313 WeakPolarHBondContact O-CG2 3.26Å; L309-V313 PolarHBondContact O-N 3.16Å; Q310-V313 PolarHBondContact O-N 3.48Å; V313-F315 PolarHBondContact O-N 3.42Å; V313-L316 PolarHBondContact O-N 3.17Å; V313-S317 WeakPolarHBondContact O-CB 3.33Å; V313-S317 PolarHBondContact O-N 3.31Å; V313-S317 PolarHBondContact O-OG 2.96Å |
| 314 | E | 95.7 | Very high | 94.2 | Very high | 132 Ų | 132 | 90.5 Ų | 90.5 | 62% | 0.617 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58.3 | -47.8 | 176 | -177.1 | -178.8 | -170.9 | 0 | 0 | 111.8 | Q310 L316 S317 M318 | Q310-E314 WeakPolarHBondContact O-CB 3.42Å; Q310-E314 PolarHBondContact O-N 2.9Å; E314-L316 PolarHBondContact O-N 2.91Å; E314-S317 PolarHBondContact O-N 3.3Å; E314-M318 WeakPolarHBondContact O-CB 3.27Å; E314-M318 PolarHBondContact O-N 3.26Å |
| 315 | F | 96.1 | Very high | 93.2 | Very high | 121 Ų | 121 | 91 Ų | 91 | 53% | 0.531 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 177.8 | 177.3 | -108.9 | 0 | 0 | 0 | 112.7 | R311 Q312 V313 K319 | R311-F315 VanDerWaalsContact O-CB 3.28Å; R311-F315 WeakPolarHBondContact O-CB 3.33Å; R311-F315 PolarHBondContact O-N 3.35Å; Q312-F315 PolarHBondContact O-N 3.01Å; V313-F315 PolarHBondContact O-N 3.42Å; F315-K319 HydrophobicContact CD1-CD 4Å; F315-K319 HydrophobicContact CE1-CD 3.54Å; F315-K319 HydrophobicContact CE1-CG 4.47Å; F315-K319 HydrophobicContact CE2-CD 4.26Å; F315-K319 HydrophobicContact CE2-CG 4.49Å; F315-K319 HydrophobicContact CZ-CD 3.73Å; F315-K319 HydrophobicContact CZ-CG 4.43Å; F315-K319 WeakPolarHBondContact O-CB 3.36Å; F315-K319 WeakPolarHBondContact O-CG 3.28Å; F315-K319 PolarHBondContact O-N 3.35Å |
| 316 | L | 95.7 | Very high | 91.8 | Very high | 99 Ų | 99 | 97.9 Ų | 97.9 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.7 | -43.2 | 176.8 | -177 | 59.2 | 0 | 0 | 0 | 111 | Q312 V313 E314 K319 L320 | Q312-L316 WeakPolarHBondContact O-CB 3.38Å; Q312-L316 PolarHBondContact O-N 3.49Å; V313-L316 PolarHBondContact O-N 3.17Å; E314-L316 PolarHBondContact O-N 2.91Å; L316-K319 PolarHBondContact O-N 3.04Å; L316-L320 HydrophobicContact CD1-CD1 4.37Å; L316-L320 HydrophobicContact CD1-CG 4.25Å; L316-L320 HydrophobicContact CG-CD1 4.13Å; L316-L320 HydrophobicContact CG-CG 4.44Å; L316-L320 WeakPolarHBondContact O-CB 3.38Å; L316-L320 VanDerWaalsContact O-CG 3.29Å; L316-L320 WeakPolarHBondContact O-CG 3.47Å; L316-L320 PolarHBondContact O-N 3.33Å |
| 317 | S | 91.7 | Very high | 90.2 | Very high | 62 Ų | 62 | 98.3 Ų | 98.3 | 43% | 0.434 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 174.8 | -64.9 | 0 | 0 | 0 | 0 | 111.2 | V313 E314 K319 L320 A321 | V313-S317 WeakPolarHBondContact O-CB 3.33Å; V313-S317 PolarHBondContact O-N 3.31Å; V313-S317 PolarHBondContact O-OG 2.96Å; E314-S317 PolarHBondContact O-N 3.3Å; S317-K319 PolarHBondContact O-N 3.01Å; S317-L320 PolarHBondContact O-N 3.01Å; S317-A321 WeakPolarHBondContact O-CB 3.28Å; S317-A321 PolarHBondContact O-N 3.41Å |
| 318 | M | 92.6 | Very high | 88.2 | Confident | 124 Ų | 124 | 98.2 Ų | 98.2 | 61% | 0.611 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.4 | -47.1 | 175.2 | -174.9 | 65.5 | 66.4 | 0 | 0 | 111.3 | E314 L320 A321 T322 | E314-M318 WeakPolarHBondContact O-CB 3.27Å; E314-M318 PolarHBondContact O-N 3.26Å; M318-L320 PolarHBondContact O-N 3.36Å; M318-A321 PolarHBondContact O-N 3.32Å; M318-T322 WeakPolarHBondContact O-CG2 3.38Å; M318-T322 PolarHBondContact O-N 2.94Å |
| 319 | K | 92.4 | Very high | 86.5 | Confident | 106 Ų | 106 | 103.7 Ų | 103.7 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60 | -43.9 | 176.4 | -82.8 | -176.1 | 159.1 | -179.5 | 0 | 112.4 | F315 L316 S317 T322 V323 | F315-K319 HydrophobicContact CD1-CD 4Å; F315-K319 HydrophobicContact CE1-CD 3.54Å; F315-K319 HydrophobicContact CE1-CG 4.47Å; F315-K319 HydrophobicContact CE2-CD 4.26Å; F315-K319 HydrophobicContact CE2-CG 4.49Å; F315-K319 HydrophobicContact CZ-CD 3.73Å; F315-K319 HydrophobicContact CZ-CG 4.43Å; F315-K319 WeakPolarHBondContact O-CB 3.36Å; F315-K319 WeakPolarHBondContact O-CG 3.28Å; F315-K319 PolarHBondContact O-N 3.35Å; L316-K319 PolarHBondContact O-N 3.04Å; S317-K319 PolarHBondContact O-N 3.01Å; K319-T322 PolarHBondContact O-N 3.19Å; K319-T322 PolarHBondContact O-OG1 3.31Å; K319-V323 WeakPolarHBondContact O-CG2 3.45Å; K319-V323 PolarHBondContact O-N 2.96Å; K319-V323 VanDerWaalsContact O-N 3.08Å |
| 320 | L | 91.8 | Very high | 84.7 | Confident | 77 Ų | 77 | 104.6 Ų | 104.6 | 40% | 0.403 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.4 | -38.6 | 178.9 | -71.3 | 175.5 | 0 | 0 | 0 | 112 | L316 S317 M318 T322 V323 N324 | L316-L320 HydrophobicContact CD1-CD1 4.37Å; L316-L320 HydrophobicContact CD1-CG 4.25Å; L316-L320 HydrophobicContact CG-CD1 4.13Å; L316-L320 HydrophobicContact CG-CG 4.44Å; L316-L320 WeakPolarHBondContact O-CB 3.38Å; L316-L320 VanDerWaalsContact O-CG 3.29Å; L316-L320 WeakPolarHBondContact O-CG 3.47Å; L316-L320 PolarHBondContact O-N 3.33Å; S317-L320 PolarHBondContact O-N 3.01Å; M318-L320 PolarHBondContact O-N 3.36Å; L320-T322 VanDerWaalsContact C-N 3.3Å; L320-T322 PolarHBondContact O-N 2.82Å; L320-V323 PolarHBondContact O-N 2.98Å; L320-N324 PolarHBondContact O-N 3.1Å |
| 321 | A | 88.7 | Confident | 83.3 | Confident | 18 Ų | 18 | 102 Ų | 102 | 15% | 0.149 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S317 M318 N324 P325 D328 | S317-A321 WeakPolarHBondContact O-CB 3.28Å; S317-A321 PolarHBondContact O-N 3.41Å; M318-A321 PolarHBondContact O-N 3.32Å; A321-N324 CarbonylContact O-C 3.43Å; A321-P325 VanDerWaalsContact O-CA 3.24Å; A321-P325 WeakPolarHBondContact O-CA 3.25Å; A321-P325 VanDerWaalsContact O-N 3.12Å; A321-D328 HydrophobicContact CB-CB 4.03Å |
| 322 | T | 87.9 | Confident | 81.7 | Confident | 104 Ų | 104 | 102.1 Ų | 102.1 | 64% | 0.638 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.8 | -34.7 | 176 | 64.2 | 0 | 0 | 0 | 0 | 114.1 | M318 K319 L320 | M318-T322 WeakPolarHBondContact O-CG2 3.38Å; M318-T322 PolarHBondContact O-N 2.94Å; K319-T322 PolarHBondContact O-N 3.19Å; K319-T322 PolarHBondContact O-OG1 3.31Å; L320-T322 VanDerWaalsContact C-N 3.3Å; L320-T322 PolarHBondContact O-N 2.82Å |
| 323 | V | 89.9 | Confident | 80.3 | Confident | 105 Ų | 105 | 98.5 Ų | 98.5 | 64% | 0.636 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -81.8 | -32.4 | -179.4 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | K319 L320 | K319-V323 WeakPolarHBondContact O-CG2 3.45Å; K319-V323 PolarHBondContact O-N 2.96Å; K319-V323 VanDerWaalsContact O-N 3.08Å; L320-V323 PolarHBondContact O-N 2.98Å |
| 324 | N | 78.2 | Confident | 78.8 | Confident | 75 Ų | 75 | 98.2 Ų | 98.2 | 40% | 0.401 | 51% | 0.512 | S | S | . | . | | | trans | -140.6 | 79.3 | -178.5 | -70.5 | -66.5 | 0 | 0 | 0 | 110.4 | L320 A321 R326 L327 | L320-N324 PolarHBondContact O-N 3.1Å; A321-N324 CarbonylContact O-C 3.43Å; N324-R326 PolarHBondContact O-N 3.21Å; N324-L327 HydrophobicContact CB-CB 4.27Å; N324-L327 HydrophobicContact CB-CD1 3.6Å; N324-L327 HydrophobicContact CB-CG 3.76Å; N324-L327 PolarHBondContact O-N 3.02Å |
| 325 | P | 74.7 | Confident | 77.3 | Confident | 88 Ų | 88 | 97.3 Ų | 97.3 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.6 | -16.5 | -179.6 | 24.5 | -34.9 | 0 | 0 | 0 | 113.1 | A321 L327 | A321-P325 VanDerWaalsContact O-CA 3.24Å; A321-P325 WeakPolarHBondContact O-CA 3.25Å; A321-P325 VanDerWaalsContact O-N 3.12Å; P325-L327 VanDerWaalsContact C-N 3.34Å |
| 326 | R | 69.6 | Low | 75.9 | Confident | 220 Ų | 220 | 95 Ų | 95 | 83% | 0.83 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -72.9 | -24 | 174.5 | -56.6 | -168.5 | 77.1 | 174.3 | 4.8 | 113.5 | N324 | N324-R326 PolarHBondContact O-N 3.21Å |
| 327 | L | 64.2 | Low | 74 | Confident | 77 Ų | 77 | 97.8 Ų | 97.8 | 40% | 0.403 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -80.9 | -33.9 | -179.2 | -64.2 | 179.1 | 0 | 0 | 0 | 111.5 | N324 P325 L329 N330 I331 | N324-L327 HydrophobicContact CB-CB 4.27Å; N324-L327 HydrophobicContact CB-CD1 3.6Å; N324-L327 HydrophobicContact CB-CG 3.76Å; N324-L327 PolarHBondContact O-N 3.02Å; P325-L327 VanDerWaalsContact C-N 3.34Å; L327-L329 VanDerWaalsContact C-N 3.31Å; L327-L329 PolarHBondContact O-N 2.99Å; L327-N330 CarbonylContact O-C 3.53Å; L327-N330 WeakPolarHBondContact O-CA 3.24Å; L327-N330 PolarHBondContact O-N 3.41Å; L327-I331 HydrophobicContact CB-CD1 4.18Å; L327-I331 WeakPolarHBondContact O-CD1 3.19Å; L327-I331 WeakPolarHBondContact O-CG1 3.24Å; L327-I331 PolarHBondContact O-N 3.24Å |
| 328 | D | 57.9 | Low | 72.4 | Confident | 83 Ų | 83 | 100.2 Ų | 100.2 | 44% | 0.444 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.1 | -43.1 | -178.1 | -154.4 | 35.9 | 0 | 0 | 0 | 112 | A321 N330 I331 | A321-D328 HydrophobicContact CB-CB 4.03Å; D328-N330 VanDerWaalsContact C-N 3.26Å; D328-N330 PolarHBondContact O-N 3.45Å; D328-I331 PolarHBondContact O-N 3.17Å |
| 329 | L | 61.1 | Low | 70.5 | Confident | 145 Ų | 145 | 100.3 Ų | 100.3 | 76% | 0.759 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.6 | -24.1 | 174.9 | -60.4 | 171 | 0 | 0 | 0 | 113.9 | L327 | L327-L329 VanDerWaalsContact C-N 3.31Å; L327-L329 PolarHBondContact O-N 2.99Å |
| 330 | N | 61.8 | Low | 68.6 | Low | 83 Ų | 83 | 102.9 Ų | 102.9 | 44% | 0.444 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -96.9 | -23.2 | -176.5 | -171.7 | 48.2 | 0 | 0 | 0 | 112.4 | L327 D328 G333 L334 | L327-N330 CarbonylContact O-C 3.53Å; L327-N330 WeakPolarHBondContact O-CA 3.24Å; L327-N330 PolarHBondContact O-N 3.41Å; D328-N330 VanDerWaalsContact C-N 3.26Å; D328-N330 PolarHBondContact O-N 3.45Å; N330-G333 PolarHBondContact O-N 2.87Å; N330-L334 WeakPolarHBondContact ND2-CD1 3.36Å; N330-L334 VanDerWaalsContact O-CB 3.31Å; N330-L334 WeakPolarHBondContact O-CB 3.48Å; N330-L334 WeakPolarHBondContact O-CG 3.38Å; N330-L334 PolarHBondContact O-N 3.44Å |
| 331 | I | 66.7 | Low | 66.5 | Low | 69 Ų | 69 | 108.6 Ų | 108.6 | 35% | 0.354 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.2 | -41.6 | 179.9 | -66.8 | 157.4 | 0 | 0 | 0 | 110.2 | L327 D328 G333 L334 L335 | L327-I331 HydrophobicContact CB-CD1 4.18Å; L327-I331 WeakPolarHBondContact O-CD1 3.19Å; L327-I331 WeakPolarHBondContact O-CG1 3.24Å; L327-I331 PolarHBondContact O-N 3.24Å; D328-I331 PolarHBondContact O-N 3.17Å; I331-G333 VanDerWaalsContact C-N 3.26Å; I331-G333 PolarHBondContact O-N 2.97Å; I331-L334 PolarHBondContact O-N 3.25Å; I331-L335 HydrophobicContact CG2-CD1 3.72Å; I331-L335 HydrophobicContact CG2-CG 4.01Å; I331-L335 WeakPolarHBondContact O-CB 3.5Å; I331-L335 VanDerWaalsContact O-CG 3.28Å; I331-L335 WeakPolarHBondContact O-CG 3.36Å; I331-L335 PolarHBondContact O-N 3.45Å |
| 332 | E | 65.9 | Low | 64 | Low | 149 Ų | 149 | 116.1 Ų | 116.1 | 70% | 0.696 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.3 | -38.2 | 173.5 | -63.2 | -168.1 | 151.4 | 0 | 0 | 111.7 | S336 | E332-S336 WeakPolarHBondContact O-CB 3.44Å; E332-S336 PolarHBondContact O-N 2.77Å; E332-S336 PolarHBondContact O-OG 3.46Å |
| 333 | G | 68.5 | Low | 61.9 | Low | 39 Ų | 39 | 116.4 Ų | 116.4 | 40% | 0.402 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.4 | -37.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N330 I331 K337 | N330-G333 PolarHBondContact O-N 2.87Å; I331-G333 VanDerWaalsContact C-N 3.26Å; I331-G333 PolarHBondContact O-N 2.97Å; G333-K337 VanDerWaalsContact O-CB 3.23Å; G333-K337 WeakPolarHBondContact O-CB 3.22Å; G333-K337 PolarHBondContact O-N 2.95Å |
| 334 | L | 64.8 | Low | 59.4 | Low | 86 Ų | 86 | 114.4 Ų | 114.4 | 45% | 0.45 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -73.7 | -44.9 | 178.2 | -83.7 | 165.7 | 0 | 0 | 0 | 112 | N330 I331 S336 K337 D338 | N330-L334 WeakPolarHBondContact ND2-CD1 3.36Å; N330-L334 VanDerWaalsContact O-CB 3.31Å; N330-L334 WeakPolarHBondContact O-CB 3.48Å; N330-L334 WeakPolarHBondContact O-CG 3.38Å; N330-L334 PolarHBondContact O-N 3.44Å; I331-L334 PolarHBondContact O-N 3.25Å; L334-S336 VanDerWaalsContact C-N 3.33Å; L334-S336 PolarHBondContact O-N 3.46Å; L334-K337 PolarHBondContact O-N 2.95Å; L334-K337 VanDerWaalsContact O-N 3.1Å; L334-D338 PolarHBondContact O-N 3.03Å |
| 335 | L | 64.1 | Low | 58 | Low | 114 Ų | 114 | 117 Ų | 117 | 60% | 0.597 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.4 | -40.2 | 176.8 | -69 | 178.4 | 0 | 0 | 0 | 111.2 | I331 K337 L339 | I331-L335 HydrophobicContact CG2-CD1 3.72Å; I331-L335 HydrophobicContact CG2-CG 4.01Å; I331-L335 WeakPolarHBondContact O-CB 3.5Å; I331-L335 VanDerWaalsContact O-CG 3.28Å; I331-L335 WeakPolarHBondContact O-CG 3.36Å; I331-L335 PolarHBondContact O-N 3.45Å; L335-K337 PolarHBondContact O-N 3.41Å; L335-L339 VanDerWaalsContact O-CB 3.28Å; L335-L339 WeakPolarHBondContact O-CB 3.37Å; L335-L339 PolarHBondContact O-N 3.47Å |
| 336 | S | 66.1 | Low | 56.3 | Low | 71 Ų | 71 | 119.1 Ų | 119.1 | 50% | 0.497 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64.8 | -28.8 | 174.2 | -60.8 | 0 | 0 | 0 | 0 | 112.6 | E332 L334 L340 | E332-S336 WeakPolarHBondContact O-CB 3.44Å; E332-S336 PolarHBondContact O-N 2.77Å; E332-S336 PolarHBondContact O-OG 3.46Å; L334-S336 VanDerWaalsContact C-N 3.33Å; L334-S336 PolarHBondContact O-N 3.46Å; S336-L340 WeakPolarHBondContact O-CG 3.26Å; S336-L340 PolarHBondContact O-N 3.26Å |
| 337 | K | 55.8 | Low | 55 | Low | 158 Ų | 158 | 113.7 Ų | 113.7 | 69% | 0.687 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -84.4 | -31 | -177.6 | -159.7 | 159.1 | -178.6 | 175.4 | 0 | 113.1 | G333 L334 L335 | G333-K337 VanDerWaalsContact O-CB 3.23Å; G333-K337 WeakPolarHBondContact O-CB 3.22Å; G333-K337 PolarHBondContact O-N 2.95Å; L334-K337 PolarHBondContact O-N 2.95Å; L334-K337 VanDerWaalsContact O-N 3.1Å; L335-K337 PolarHBondContact O-N 3.41Å |
| 338 | D | 56.8 | Low | 53.9 | Low | 113 Ų | 113 | 115.3 Ų | 115.3 | 60% | 0.604 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -79.7 | -30.8 | 171.5 | -77.9 | -27.6 | 0 | 0 | 0 | 112.3 | L334 L340 R341 | L334-D338 PolarHBondContact O-N 3.03Å; D338-L340 VanDerWaalsContact C-N 3.3Å; D338-L340 PolarHBondContact O-N 2.94Å; D338-R341 CarbonylContact O-C 3.6Å; D338-R341 PolarHBondContact O-N 3.45Å |
| 339 | L | 53.2 | Low | 53.5 | Low | 126 Ų | 126 | 117 Ų | 117 | 66% | 0.66 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71.7 | -24.1 | 177.4 | -159.1 | 72.6 | 0 | 0 | 0 | 113.3 | L335 F342 | L335-L339 VanDerWaalsContact O-CB 3.28Å; L335-L339 WeakPolarHBondContact O-CB 3.37Å; L335-L339 PolarHBondContact O-N 3.47Å; L339-F342 HydrophobicContact CD1-CE2 4.15Å |
| 340 | L | 53.9 | Low | 52.7 | Low | 161 Ų | 161 | 117.8 Ų | 117.8 | 84% | 0.843 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 1.3 | 174.8 | -66 | 172.9 | 0 | 0 | 0 | 113.4 | S336 D338 | S336-L340 WeakPolarHBondContact O-CG 3.26Å; S336-L340 PolarHBondContact O-N 3.26Å; D338-L340 VanDerWaalsContact C-N 3.3Å; D338-L340 PolarHBondContact O-N 2.94Å |
| 341 | R | 46.6 | Very low | 51.7 | Low | 197 Ų | 197 | 117.3 Ų | 117.3 | 74% | 0.743 | 68% | 0.679 | S | S | * | * | | | trans | -124.8 | 61.4 | 176.3 | -167.4 | 147.4 | 104.2 | 137.4 | 0.1 | 111 | D338 P343 | D338-R341 CarbonylContact O-C 3.6Å; D338-R341 PolarHBondContact O-N 3.45Å; R341-P343 HydrophobicContact CG-CG 4.28Å; R341-P343 VanDerWaalsContact O-CD 3.25Å; R341-P343 WeakPolarHBondContact O-CD 3.45Å |
| 342 | F | 35.5 | Very low | 50.6 | Low | 175 Ų | 175 | 123.3 Ų | 123.3 | 77% | 0.768 | 70% | 0.703 | S | S | * | * | | | trans | -86.4 | 103.6 | 151.2 | -77.8 | -78.3 | 0 | 0 | 0 | 108.2 | L339 G344 | L339-F342 HydrophobicContact CD1-CE2 4.15Å; F342-G344 PolarHBondContact O-N 2.92Å |
| 343 | P | 44.7 | Very low | 49.8 | Very low | 110 Ų | 110 | 121.9 Ų | 121.9 | 71% | 0.714 | 71% | 0.709 | S | S | * | * | | | trans | -80.8 | 113.3 | 171.2 | -1.2 | 22.7 | 0 | 0 | 0 | 107.1 | R341 V345 | R341-P343 HydrophobicContact CG-CG 4.28Å; R341-P343 VanDerWaalsContact O-CD 3.25Å; R341-P343 WeakPolarHBondContact O-CD 3.45Å; P343-V345 PolarHBondContact O-N 3.29Å |
| 344 | G | 38.4 | Very low | 48.7 | Very low | 64 Ų | 64 | 125.7 Ų | 125.7 | 66% | 0.66 | 73% | 0.727 | S | S | * | * | | | trans | -55 | 133.3 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | F342 | F342-G344 PolarHBondContact O-N 2.92Š|
| 345 | V | 48 | Very low | 47.4 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 78% | 0.782 | 74% | 0.744 | S | S | * | * | | | trans | 55.4 | 113.3 | 154.8 | -130.6 | 0 | 0 | 0 | 0 | 117.2 | P343 S347 | P343-V345 PolarHBondContact O-N 3.29Å; V345-S347 PolarHBondContact O-N 3.03Å |
| 346 | P | 38.8 | Very low | 46.9 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | | | trans | -79.2 | 89.6 | 175.2 | 33.2 | -31.5 | 0 | 0 | 0 | 110 | S348 | P346-S348 PolarHBondContact O-N 3.05Š|
| 347 | S | 43.1 | Very low | 46.1 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | trans | -83.8 | 104 | 161 | -88.8 | 0 | 0 | 0 | 0 | 109.3 | V345 S349 | V345-S347 PolarHBondContact O-N 3.03Å; S347-S349 PolarHBondContact O-N 3.26Å |
| 348 | S | 41.2 | Very low | 45.6 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | 1.6 | 114.1 | 137.6 | 49 | 0 | 0 | 0 | 0 | 115.9 | P346 | P346-S348 PolarHBondContact O-N 3.05Š|
| 349 | S | 47.8 | Very low | 45 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | | 170.8 | 122.2 | 120.6 | -174.2 | 0 | 0 | 0 | 0 | 109.5 | S347 | S347-S349 PolarHBondContact O-N 3.26Š|
| 350 | L | 45.1 | Very low | 44.4 | Very low | 161 Ų | 161 | 137 Ų | 137 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | | | trans | -55.3 | 132.7 | 170.1 | -64.6 | 153.4 | 0 | 0 | 0 | 109.9 | | |
| 351 | G | 41.7 | Very low | 43.9 | Very low | 73 Ų | 73 | 136.6 Ų | 136.6 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | trans | -153 | 90.4 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 352 | F | 43.2 | Very low | 43.6 | Very low | 196 Ų | 196 | 135.8 Ų | 135.8 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | | | trans | -63.6 | 142.8 | 172.7 | -80 | -102.5 | 0 | 0 | 0 | 110.6 | | |
| 353 | S | 47.9 | Very low | 43.8 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -130.5 | 131.2 | 157.5 | -86.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 354 | P | 45.9 | Very low | 44.2 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | trans | -90.7 | 178.7 | -173.3 | 38.5 | -34.1 | 0 | 0 | 0 | 111.5 | | |
| 355 | E | 38.6 | Very low | 44.4 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | 101 | 97 | 156.7 | -152.7 | -177.4 | 131.8 | 0 | 0 | 116.3 | | |
| 356 | M | 53.3 | Low | 44.3 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | | | | 167.1 | 123.2 | 106.4 | -123.8 | 163.4 | 52.1 | 0 | 0 | 111.4 | | |
| 357 | M | 47.8 | Very low | 44.3 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | | | trans | 86.1 | 93.8 | 152.4 | -48.9 | -66.8 | 92.8 | 0 | 0 | 121.4 | | |
| 358 | H | 47 | Very low | 44.5 | Very low | 175 Ų | 175 | 139.9 Ų | 139.9 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | | 37.8 | 156.2 | 123.7 | -92 | -99.4 | 0 | 0 | 0 | 123 | | |
| 359 | P | 43.5 | Very low | 44.5 | Very low | 104 Ų | 104 | 142 Ų | 142 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | | | cis | -142.6 | 160 | -41.8 | 36.5 | -16.7 | 0 | 0 | 0 | 116.6 | | |
| 360 | Q | 40.2 | Very low | 44.3 | Very low | 159 Ų | 159 | 146 Ų | 146 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | | | trans | 59.7 | 112 | 140.7 | -148.6 | -145.4 | -46.7 | 0 | 0 | 120.7 | | |
| 361 | L | 44.8 | Very low | 43.8 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | | | | -171.7 | 115.5 | 111.2 | -93.6 | 170.4 | 0 | 0 | 0 | 110.9 | | |
| 362 | Q | 39.2 | Very low | 43.4 | Very low | 180 Ų | 180 | 142 Ų | 142 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | | | trans | -63.6 | 142.1 | 170.1 | -76.7 | 164.4 | -102 | 0 | 0 | 111.5 | | |
| 363 | L | 39.3 | Very low | 43.2 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | | | | -163.5 | 111 | 123.7 | -157.5 | 55.2 | 0 | 0 | 0 | 113.7 | | |
| 364 | S | 52.7 | Low | 42.9 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | 56.4 | 114.3 | 143.1 | -147.5 | 0 | 0 | 0 | 0 | 123.5 | | |
| 365 | Q | 43.2 | Very low | 42.6 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 77% | 0.771 | 80% | 0.796 | S | S | * | * | | | trans | -63 | -168.2 | 150.1 | -76.7 | -100 | 35.8 | 0 | 0 | 113 | | |
| 366 | P | 47 | Very low | 42.8 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | | | cis | -139.3 | 165.7 | -13.1 | 17 | 8.7 | 0 | 0 | 0 | 116.7 | | |
| 367 | G | 37 | Very low | 42.7 | Very low | 69 Ų | 69 | 132.5 Ų | 132.5 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | | 100.3 | 117.2 | 128.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 368 | L | 47.3 | Very low | 43.6 | Very low | 174 Ų | 174 | 129.3 Ų | 129.3 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | | | | -160.7 | 133.1 | 118.9 | -95.7 | 177.2 | 0 | 0 | 0 | 110.2 | | |
| 369 | I | 43 | Very low | 44.9 | Very low | 156 Ų | 156 | 125.5 Ų | 125.5 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | | | trans | -73.5 | 169.2 | 179.3 | 42.4 | 170.7 | 0 | 0 | 0 | 112.5 | | |
| 370 | Q | 42.2 | Very low | 46.6 | Very low | 203 Ų | 203 | 123.8 Ų | 123.8 | 95% | 0.949 | 77% | 0.767 | S | S | * | * | | | trans | 101 | 122.5 | 163.2 | -156.4 | 168.8 | 55.7 | 0 | 0 | 113.8 | | |
| 371 | G | 35.6 | Very low | 48.6 | Very low | 69 Ų | 69 | 120 Ų | 120 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | | | cis | 150.6 | 125.5 | 6.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 372 | G | 31.9 | Very low | 50.2 | Low | 80 Ų | 80 | 119.4 Ų | 119.4 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | | | trans | 74.8 | 130.6 | 149.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 373 | A | 39.7 | Very low | 52.2 | Low | 106 Ų | 106 | 117.5 Ų | 117.5 | 88% | 0.876 | 73% | 0.731 | S | S | * | * | | | trans | 91.5 | 135.3 | 147 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 374 | A | 42.5 | Very low | 54.2 | Low | 84 Ų | 84 | 118 Ų | 118 | 69% | 0.694 | 72% | 0.721 | S | S | * | * | | | trans | 73.6 | 83.9 | 164 | 0 | 0 | 0 | 0 | 0 | 117.7 | M376 | A374-M376 VanDerWaalsContact C-N 3.3Å; A374-M376 PolarHBondContact O-N 3.17Å |
| 375 | G | 38 | Very low | 55.7 | Low | 92 Ų | 92 | 117.3 Ų | 117.3 | 95% | 0.948 | 71% | 0.707 | S | S | * | * | | | trans | -63.8 | 91.4 | 151.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 376 | M | 43.2 | Very low | 57.4 | Low | 161 Ų | 161 | 114 Ų | 114 | 79% | 0.793 | 69% | 0.693 | S | S | * | * | | | trans | -117.3 | 116.9 | 163.3 | -70.4 | -173.9 | 73.6 | 0 | 0 | 107.4 | A374 N378 | A374-M376 VanDerWaalsContact C-N 3.3Å; A374-M376 PolarHBondContact O-N 3.17Å; M376-N378 VanDerWaalsContact C-N 3.31Å; M376-N378 PolarHBondContact O-N 2.97Å |
| 377 | A | 51.6 | Low | 58.8 | Low | 111 Ų | 111 | 114.3 Ų | 114.3 | 92% | 0.917 | 69% | 0.685 | S | S | * | * | | | trans | -59.2 | 91.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 378 | N | 67 | Low | 60.6 | Low | 80 Ų | 80 | 113.6 Ų | 113.6 | 43% | 0.428 | 67% | 0.672 | S | S | . | * | | | trans | -96.7 | 113 | 173.6 | -169.4 | -59.5 | 0 | 0 | 0 | 108.5 | M376 D380 V381 | M376-N378 VanDerWaalsContact C-N 3.31Å; M376-N378 PolarHBondContact O-N 2.97Å; N378-D380 PolarHBondContact O-N 2.95Å; N378-D380 VanDerWaalsContact O-N 3.16Å; N378-D380 WeakPolarHBondContact OD1-CA 3.35Å; N378-D380 WeakPolarHBondContact OD1-CB 3.39Å; N378-D380 PolarHBondContact OD1-N 3.45Å; N378-V381 HydrophobicContact CB-CG2 4.05Å; N378-V381 PolarHBondContact O-N 3.35Å; N378-V381 VanDerWaalsContact O-N 3.17Å |
| 379 | P | 74.5 | Confident | 61.4 | Low | 95 Ų | 95 | 111.9 Ų | 111.9 | 62% | 0.617 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -62.1 | -21.8 | -178.7 | 25.7 | -33.7 | 0 | 0 | 0 | 112.6 | R383 | P379-R383 WeakPolarHBondContact O-CB 3.48Å; P379-R383 PolarHBondContact O-N 3.34Å |
| 380 | D | 79 | Confident | 62.1 | Low | 68 Ų | 68 | 110.9 Ų | 110.9 | 36% | 0.364 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -74.6 | -30.3 | 177.6 | -66.8 | -69.8 | 0 | 0 | 0 | 113.5 | N378 R383 R384 | N378-D380 PolarHBondContact O-N 2.95Å; N378-D380 VanDerWaalsContact O-N 3.16Å; N378-D380 WeakPolarHBondContact OD1-CA 3.35Å; N378-D380 WeakPolarHBondContact OD1-CB 3.39Å; N378-D380 PolarHBondContact OD1-N 3.45Å; D380-R383 IonicContact OD1-CZ 3.57Å; D380-R383 IonicContact OD1-NE 3.37Å; D380-R383 PolarHBondContact OD1-NE 2.94Å; D380-R383 IonicContact OD1-NH2 2.88Å; D380-R383 PolarHBondContact OD1-NH2 2.89Å; D380-R384 VanDerWaalsContact O-CB 3.24Å; D380-R384 WeakPolarHBondContact O-CB 3.41Å; D380-R384 PolarHBondContact O-N 3.02Å |
| 381 | V | 81.8 | Confident | 62.8 | Low | 81 Ų | 81 | 105.9 Ų | 105.9 | 49% | 0.491 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -69.3 | -44.5 | 175.4 | 179 | 0 | 0 | 0 | 0 | 109.7 | N378 R384 I385 | N378-V381 HydrophobicContact CB-CG2 4.05Å; N378-V381 PolarHBondContact O-N 3.35Å; N378-V381 VanDerWaalsContact O-N 3.17Å; V381-R384 PolarHBondContact O-N 3.16Å; V381-I385 HydrophobicContact CG1-CD1 3.79Å; V381-I385 HydrophobicContact CG1-CG1 4.46Å; V381-I385 VanDerWaalsContact O-CG1 3.26Å; V381-I385 WeakPolarHBondContact O-CG1 3.31Å; V381-I385 PolarHBondContact O-N 3.31Å |
| 382 | F | 78 | Confident | 63.8 | Low | 140 Ų | 140 | 106.6 Ų | 106.6 | 61% | 0.614 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -61.6 | -44.9 | 174.6 | -178.5 | -99.9 | 0 | 0 | 0 | 111.8 | R384 I385 M386 | F382-R384 VanDerWaalsContact C-N 3.33Å; F382-R384 PolarHBondContact O-N 3.39Å; F382-I385 PolarHBondContact O-N 2.65Å; F382-M386 HydrophobicContact CD1-CG 4.27Å; F382-M386 HydrophobicContact CE1-CG 3.86Å; F382-M386 HydrophobicContact CE2-CG 4.16Å; F382-M386 HydrophobicContact CZ-CG 3.79Å; F382-M386 HydrophobicContact CZ-SD 4.2Å; F382-M386 WeakPolarHBondContact O-CB 3.48Å; F382-M386 WeakPolarHBondContact O-CG 3.38Å; F382-M386 PolarHBondContact O-N 3.4Å |
| 383 | R | 80.8 | Confident | 64.8 | Low | 140 Ų | 140 | 112 Ų | 112 | 53% | 0.528 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -58.4 | -44.4 | 174.7 | -174.4 | 175.8 | 62.7 | 102.7 | -4.4 | 111.6 | P379 D380 M386 Q387 | P379-R383 WeakPolarHBondContact O-CB 3.48Å; P379-R383 PolarHBondContact O-N 3.34Å; D380-R383 IonicContact OD1-CZ 3.57Å; D380-R383 IonicContact OD1-NE 3.37Å; D380-R383 PolarHBondContact OD1-NE 2.94Å; D380-R383 IonicContact OD1-NH2 2.88Å; D380-R383 PolarHBondContact OD1-NH2 2.89Å; R383-M386 PolarHBondContact O-N 3.12Å; R383-Q387 WeakPolarHBondContact O-CB 3.46Å; R383-Q387 PolarHBondContact O-N 3.27Å |
| 384 | R | 82.4 | Confident | 64.8 | Low | 179 Ų | 179 | 113.6 Ų | 113.6 | 68% | 0.675 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.2 | -40.4 | -180 | -161.6 | -178.4 | -64.4 | 170.8 | -0.5 | 112.2 | D380 V381 F382 Q387 A388 | D380-R384 VanDerWaalsContact O-CB 3.24Å; D380-R384 WeakPolarHBondContact O-CB 3.41Å; D380-R384 PolarHBondContact O-N 3.02Å; V381-R384 PolarHBondContact O-N 3.16Å; F382-R384 VanDerWaalsContact C-N 3.33Å; F382-R384 PolarHBondContact O-N 3.39Å; R384-Q387 PolarHBondContact O-N 3.38Å; R384-A388 VanDerWaalsContact O-CB 3.28Å; R384-A388 WeakPolarHBondContact O-CB 3.49Å; R384-A388 PolarHBondContact O-N 3.03Å |
| 385 | I | 84.1 | Confident | 64.5 | Low | 96 Ų | 96 | 113.2 Ų | 113.2 | 49% | 0.492 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -63.6 | -47.8 | 175 | -68.9 | 164.4 | 0 | 0 | 0 | 110.3 | V381 F382 Q387 A388 Q389 | V381-I385 HydrophobicContact CG1-CD1 3.79Å; V381-I385 HydrophobicContact CG1-CG1 4.46Å; V381-I385 VanDerWaalsContact O-CG1 3.26Å; V381-I385 WeakPolarHBondContact O-CG1 3.31Å; V381-I385 PolarHBondContact O-N 3.31Å; F382-I385 PolarHBondContact O-N 2.65Å; I385-Q387 PolarHBondContact O-N 3Å; I385-A388 PolarHBondContact O-N 3.12Å; I385-Q389 HydrophobicContact CG2-CG 4.48Å; I385-Q389 VanDerWaalsContact O-CG 3.27Å; I385-Q389 WeakPolarHBondContact O-CG 3.48Å; I385-Q389 PolarHBondContact O-N 3.2Å |
| 386 | M | 79.5 | Confident | 65 | Low | 95 Ų | 95 | 113.8 Ų | 113.8 | 47% | 0.468 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -63.4 | -41.3 | 178.1 | -72.5 | -69.1 | -73.1 | 0 | 0 | 112.1 | F382 R383 Q389 L390 | F382-M386 HydrophobicContact CD1-CG 4.27Å; F382-M386 HydrophobicContact CE1-CG 3.86Å; F382-M386 HydrophobicContact CE2-CG 4.16Å; F382-M386 HydrophobicContact CZ-CG 3.79Å; F382-M386 HydrophobicContact CZ-SD 4.2Å; F382-M386 WeakPolarHBondContact O-CB 3.48Å; F382-M386 WeakPolarHBondContact O-CG 3.38Å; F382-M386 PolarHBondContact O-N 3.4Å; R383-M386 PolarHBondContact O-N 3.12Å; M386-Q389 PolarHBondContact O-N 3.17Å; M386-L390 VanDerWaalsContact O-CG 3.3Å; M386-L390 WeakPolarHBondContact O-CG 3.22Å; M386-L390 PolarHBondContact O-N 3.02Å |
| 387 | Q | 76.4 | Confident | 64.9 | Low | 121 Ų | 121 | 114.5 Ų | 114.5 | 57% | 0.565 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.2 | -36.9 | 176 | -126.1 | 173.4 | 12.5 | 0 | 0 | 112.3 | R383 R384 I385 L390 S391 | R383-Q387 WeakPolarHBondContact O-CB 3.46Å; R383-Q387 PolarHBondContact O-N 3.27Å; R384-Q387 PolarHBondContact O-N 3.38Å; I385-Q387 PolarHBondContact O-N 3Å; Q387-L390 PolarHBondContact O-N 2.92Å; Q387-S391 WeakPolarHBondContact O-CB 3.49Å; Q387-S391 PolarHBondContact O-N 2.94Å |
| 388 | A | 74.6 | Confident | 64.6 | Low | 54 Ų | 54 | 116.8 Ų | 116.8 | 45% | 0.446 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.4 | -37.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R384 I385 L390 S391 A392 | R384-A388 VanDerWaalsContact O-CB 3.28Å; R384-A388 WeakPolarHBondContact O-CB 3.49Å; R384-A388 PolarHBondContact O-N 3.03Å; I385-A388 PolarHBondContact O-N 3.12Å; A388-L390 VanDerWaalsContact C-N 3.34Å; A388-S391 PolarHBondContact O-N 3.07Å; A388-A392 WeakPolarHBondContact O-CB 3.4Å; A388-A392 PolarHBondContact O-N 3.31Å; A388-A392 VanDerWaalsContact O-N 3.14Å |
| 389 | Q | 63 | Low | 63.7 | Low | 139 Ų | 139 | 116.9 Ų | 116.9 | 65% | 0.65 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.2 | -30.9 | 175.2 | -67.5 | -66.4 | -54.6 | 0 | 0 | 112.4 | I385 M386 | I385-Q389 HydrophobicContact CG2-CG 4.48Å; I385-Q389 VanDerWaalsContact O-CG 3.27Å; I385-Q389 WeakPolarHBondContact O-CG 3.48Å; I385-Q389 PolarHBondContact O-N 3.2Å; M386-Q389 PolarHBondContact O-N 3.17Å |
| 390 | L | 59.4 | Low | 62.2 | Low | 134 Ų | 134 | 118.2 Ų | 118.2 | 70% | 0.702 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -79.1 | -31.3 | 174.8 | -69.5 | 167.4 | 0 | 0 | 0 | 112.7 | M386 Q387 A388 | M386-L390 VanDerWaalsContact O-CG 3.3Å; M386-L390 WeakPolarHBondContact O-CG 3.22Å; M386-L390 PolarHBondContact O-N 3.02Å; Q387-L390 PolarHBondContact O-N 2.92Å; A388-L390 VanDerWaalsContact C-N 3.34Å |
| 391 | S | 55.5 | Low | 60.6 | Low | 99 Ų | 99 | 122.6 Ų | 122.6 | 69% | 0.692 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -81 | -16.1 | 178.2 | -169.7 | 0 | 0 | 0 | 0 | 113.7 | Q387 A388 K393 | Q387-S391 WeakPolarHBondContact O-CB 3.49Å; Q387-S391 PolarHBondContact O-N 2.94Å; A388-S391 PolarHBondContact O-N 3.07Å; S391-K393 VanDerWaalsContact C-N 3.28Å; S391-K393 PolarHBondContact O-N 2.95Å |
| 392 | A | 57.2 | Low | 58.4 | Low | 84 Ų | 84 | 123.1 Ų | 123.1 | 69% | 0.694 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | 8.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | A388 | A388-A392 WeakPolarHBondContact O-CB 3.4Å; A388-A392 PolarHBondContact O-N 3.31Å; A388-A392 VanDerWaalsContact O-N 3.14Å |
| 393 | K | 52.4 | Low | 56.8 | Low | 192 Ų | 192 | 124.6 Ų | 124.6 | 84% | 0.835 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.3 | 27.6 | -174.6 | -146.6 | 161 | -178.2 | 166.7 | 0 | 114.4 | S391 | S391-K393 VanDerWaalsContact C-N 3.28Å; S391-K393 PolarHBondContact O-N 2.95Å |
| 394 | D | 40.4 | Very low | 54.8 | Low | 140 Ų | 140 | 126 Ų | 126 | 75% | 0.749 | 70% | 0.701 | S | S | * | * | | | trans | -134.6 | 78.6 | 167.6 | -163.3 | 20.7 | 0 | 0 | 0 | 109.7 | | |
| 395 | G | 35.8 | Very low | 52.8 | Low | 76 Ų | 76 | 121 Ų | 121 | 78% | 0.784 | 71% | 0.705 | S | S | * | * | | | trans | -103.4 | 76.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 396 | S | 49.4 | Very low | 50.7 | Low | 104 Ų | 104 | 120.7 Ų | 120.7 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | | | trans | -163.9 | 84.7 | 160.1 | -80.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 397 | Q | 40.4 | Very low | 49 | Very low | 176 Ų | 176 | 126.3 Ų | 126.3 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | | | | 50.2 | 108.1 | 126.9 | -122.9 | -173 | -2.2 | 0 | 0 | 120.5 | | |
| 398 | M | 46 | Very low | 47.5 | Very low | 159 Ų | 159 | 125 Ų | 125 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | | | | 135.2 | 132.1 | 119.8 | -71 | -61.2 | -91.4 | 0 | 0 | 115.1 | | |
| 399 | P | 47 | Very low | 46.1 | Very low | 82 Ų | 82 | 129.7 Ų | 129.7 | 53% | 0.532 | 76% | 0.761 | S | S | . | * | | | trans | -89.4 | 159.3 | 179.5 | 36.8 | -33.2 | 0 | 0 | 0 | 113 | H401 | P399-H401 PolarHBondContact O-N 3.24Š|
| 400 | P | 42.5 | Very low | 45.5 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | | | trans | -91.4 | 105.7 | -172.4 | 34.3 | -28.6 | 0 | 0 | 0 | 111.1 | | |
| 401 | H | 45.7 | Very low | 44.9 | Very low | 160 Ų | 160 | 128.4 Ų | 128.4 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | -134 | 131.6 | 170 | -51.1 | -54.4 | 0 | 0 | 0 | 110.7 | P399 | P399-H401 PolarHBondContact O-N 3.24Š|
| 402 | A | 35.7 | Very low | 44.5 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | trans | -44.1 | 150.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 403 | L | 44.2 | Very low | 44.1 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | | | | -179.7 | 131.2 | 124.9 | -90.9 | 172.7 | 0 | 0 | 0 | 110.4 | | |
| 404 | N | 38.5 | Very low | 43.7 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | | | trans | -47 | 145.1 | 167.9 | -74.6 | -21.8 | 0 | 0 | 0 | 112.8 | | |
| 405 | G | 40.9 | Very low | 43.9 | Very low | 73 Ų | 73 | 138.9 Ų | 138.9 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | trans | 167 | 92.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 406 | A | 41.4 | Very low | 44.6 | Very low | 90 Ų | 90 | 140.1 Ų | 140.1 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | | | trans | 37.4 | 111.2 | 140.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 407 | F | 42 | Very low | 44.4 | Very low | 213 Ų | 213 | 145.8 Ų | 145.8 | 93% | 0.934 | 81% | 0.812 | S | S | * | * | | | trans | -135.7 | 92.8 | 143.8 | -122 | -89.2 | 0 | 0 | 0 | 108.8 | | |
| 408 | S | 46.5 | Very low | 45.2 | Very low | 94 Ų | 94 | 143.5 Ų | 143.5 | 66% | 0.657 | 81% | 0.812 | S | S | * | * | | | trans | -95.9 | 149.6 | 164 | -44.7 | 0 | 0 | 0 | 0 | 108 | | |
| 409 | D | 44 | Very low | 45 | Very low | 152 Ų | 152 | 141 Ų | 141 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | | | trans | 70.2 | 88.2 | 163.3 | -76.1 | -67.1 | 0 | 0 | 0 | 118.1 | | |
| 410 | V | 49.8 | Very low | 45.2 | Very low | 149 Ų | 149 | 142 Ų | 142 | 90% | 0.903 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -161.5 | 136 | 130 | 117 | 0 | 0 | 0 | 0 | 109.6 | | |
| 411 | A | 48.4 | Very low | 45.6 | Very low | 98 Ų | 98 | 144.8 Ų | 144.8 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | | | trans | 84.3 | 52.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 412 | Q | 47.5 | Very low | 45.5 | Very low | 197 Ų | 197 | 144.4 Ų | 144.4 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | | | trans | -100.6 | 87 | 146 | -164.6 | 161.4 | 50.3 | 0 | 0 | 108.2 | | |
| 413 | Q | 47.4 | Very low | 46.5 | Very low | 175 Ų | 175 | 147.8 Ų | 147.8 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | | | trans | -155 | 130.8 | 169.2 | -155.2 | 151.5 | 68.4 | 0 | 0 | 111 | | |
| 414 | Q | 45.1 | Very low | 46.6 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | | | trans | 87 | 84.3 | 177.5 | -55.7 | 175.5 | 33.9 | 0 | 0 | 113.9 | | |
| 415 | M | 43.6 | Very low | 47.6 | Very low | 188 Ų | 188 | 143.9 Ų | 143.9 | 93% | 0.926 | 82% | 0.817 | S | S | * | * | | | | 62.6 | 121.8 | 62.9 | -59.7 | -72.8 | -100.7 | 0 | 0 | 114.7 | | |
| 416 | A | 50.6 | Low | 48.5 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | | | trans | 98.6 | 101.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 417 | Y | 45.1 | Very low | 49.3 | Very low | 224 Ų | 224 | 145.8 Ų | 145.8 | 88% | 0.878 | 82% | 0.819 | S | S | * | * | | | trans | -70.2 | 161.2 | 153.5 | -74.9 | -89.6 | 0 | 0 | 0 | 110.6 | | |
| 418 | P | 57.9 | Low | 50 | Low | 127 Ų | 127 | 141.1 Ų | 141.1 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | | | | -139.8 | 141.6 | 105.2 | 33.1 | -17.9 | 0 | 0 | 0 | 114.9 | | |
| 419 | S | 41.8 | Very low | 50.5 | Low | 108 Ų | 108 | 144.8 Ų | 144.8 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | | | trans | -64.8 | 137.7 | 161.1 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 420 | S | 50.4 | Low | 51.1 | Low | 102 Ų | 102 | 145.6 Ų | 145.6 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | | | trans | 179.6 | 128.5 | 147.5 | -89 | 0 | 0 | 0 | 0 | 114 | | |
| 421 | Q | 52.2 | Low | 51.6 | Low | 181 Ų | 181 | 141.4 Ų | 141.4 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | | | trans | 94.9 | 104.2 | 145.7 | -29.6 | -152.5 | -8.7 | 0 | 0 | 120.5 | | |
| 422 | D | 43.1 | Very low | 52.3 | Low | 152 Ų | 152 | 146.7 Ų | 146.7 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | | | trans | -27.7 | 130.4 | 145.1 | -94.4 | -62.6 | 0 | 0 | 0 | 115.2 | | |
| 423 | L | 55.4 | Low | 53.1 | Low | 164 Ų | 164 | 146.4 Ų | 146.4 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | | | trans | -136.7 | 91.6 | 152.3 | -80.6 | 171.6 | 0 | 0 | 0 | 109.1 | I425 | L423-I425 HydrophobicContact CD2-CD1 4.48Š|
| 424 | S | 46 | Very low | 53.6 | Low | 108 Ų | 108 | 150.6 Ų | 150.6 | 76% | 0.755 | 84% | 0.838 | S | S | * | * | | | trans | -93.3 | 104.3 | 163.5 | 169 | 0 | 0 | 0 | 0 | 109.2 | | |
| 425 | I | 60.3 | Low | 54.1 | Low | 151 Ų | 151 | 149.5 Ų | 149.5 | 77% | 0.774 | 84% | 0.839 | S | S | * | * | | | trans | -138.3 | 117.6 | 163.3 | -94 | 99.4 | 0 | 0 | 0 | 103.2 | L423 | L423-I425 HydrophobicContact CD2-CD1 4.48Š|
| 426 | G | 59 | Low | 54.6 | Low | 63 Ų | 63 | 147.4 Ų | 147.4 | 65% | 0.649 | 84% | 0.835 | S | S | * | * | | | cis | 118.1 | 108.8 | 34.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 427 | P | 58.8 | Low | 54.8 | Low | 139 Ų | 139 | 149.9 Ų | 149.9 | 90% | 0.903 | 83% | 0.834 | S | S | * | * | | | trans | -87 | 125.3 | -178.9 | 32.8 | -28.1 | 0 | 0 | 0 | 109.3 | | |
| 428 | S | 58 | Low | 55.4 | Low | 116 Ų | 116 | 145.6 Ų | 145.6 | 81% | 0.811 | 83% | 0.832 | S | S | * | * | | | trans | -142.7 | 143.2 | 168.3 | -156.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 429 | Q | 56 | Low | 55.3 | Low | 171 Ų | 171 | 146.8 Ų | 146.8 | 80% | 0.799 | 83% | 0.832 | S | S | * | * | | | trans | -51.7 | 148.3 | -171.1 | -58.5 | 177.8 | 54.5 | 0 | 0 | 115.1 | | |
| 430 | D | 57.4 | Low | 56.1 | Low | 168 Ų | 168 | 149.3 Ų | 149.3 | 90% | 0.898 | 84% | 0.837 | S | S | * | * | | | | -180 | 146.4 | 116.1 | -109.4 | -43.4 | 0 | 0 | 0 | 112.3 | | |
| 431 | G | 60 | Low | 56.6 | Low | 61 Ų | 61 | 152.7 Ų | 152.7 | 63% | 0.629 | 85% | 0.846 | S | S | * | * | | | trans | 107.7 | 96.4 | 155.6 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 432 | F | 62.9 | Low | 56.9 | Low | 209 Ų | 209 | 150.5 Ų | 150.5 | 92% | 0.917 | 85% | 0.846 | S | S | * | * | | | | 171.4 | 112.4 | 107.1 | -106.6 | -93 | 0 | 0 | 0 | 109.9 | | |
| 433 | Q | 64.2 | Low | 58 | Low | 191 Ų | 191 | 150.4 Ų | 150.4 | 89% | 0.893 | 85% | 0.849 | S | S | * | * | | | trans | -79 | 127.9 | 158.5 | -83.7 | 179.2 | 53.7 | 0 | 0 | 108.6 | | |
| 434 | M | 58.6 | Low | 58.3 | Low | 264 Ų | 264 | 149.2 Ų | 149.2 | 100% | 1.3 | 85% | 0.848 | S | S | * | * | | | trans | -161.5 | 0 | 135.7 | -95.4 | -167.8 | -157.2 | 0 | 0 | 108.8 | | |