| 1 | M | 47.6 | Very low | 48.5 | Very low | 240 Ų | 240 | 167.4 Ų | 167.4 | 100% | 1.182 | 87% | 0.873 | S | S | * | * | | | | 0 | 118.8 | 0 | -64.2 | 176.2 | -177.6 | 0 | 0 | 107.4 | | |
| 2 | T | 46.8 | Very low | 47.5 | Very low | 136 Ų | 136 | 168.4 Ų | 168.4 | 83% | 0.834 | 87% | 0.87 | S | S | * | * | | | trans | -98.5 | 115.2 | -179.4 | 42.3 | 0 | 0 | 0 | 0 | 109.6 | V4 | T2-V4 PolarHBondContact O-N 3.33Š|
| 3 | L | 52.8 | Low | 47 | Very low | 167 Ų | 167 | 164.6 Ų | 164.6 | 87% | 0.874 | 86% | 0.863 | S | S | * | * | | | trans | -82.9 | 109.5 | 176.9 | -64 | 176.6 | 0 | 0 | 0 | 109.5 | | |
| 4 | V | 53.1 | Low | 46.7 | Very low | 133 Ų | 133 | 163.7 Ų | 163.7 | 81% | 0.806 | 86% | 0.857 | S | S | * | * | | | trans | -87.9 | 109.4 | 171.1 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | T2 S6 | T2-V4 PolarHBondContact O-N 3.33Å; V4-S6 PolarHBondContact O-N 3.17Å |
| 5 | L | 50.5 | Low | 46.3 | Very low | 162 Ų | 162 | 162.1 Ų | 162.1 | 85% | 0.848 | 86% | 0.856 | S | S | * | * | | | trans | -79 | 110.5 | 173.3 | -77.1 | 161.3 | 0 | 0 | 0 | 109.4 | M7 | L5-M7 PolarHBondContact O-N 3.13Š|
| 6 | S | 53.2 | Low | 45.9 | Very low | 103 Ų | 103 | 158.6 Ų | 158.6 | 72% | 0.72 | 85% | 0.849 | S | S | * | * | | | trans | -72.8 | 114.4 | 173.8 | 49.4 | 0 | 0 | 0 | 0 | 110.6 | V4 N8 | V4-S6 PolarHBondContact O-N 3.17Å; S6-N8 VanDerWaalsContact C-N 3.31Å; S6-N8 PolarHBondContact O-N 3.3Å |
| 7 | M | 49.5 | Very low | 45.6 | Very low | 183 Ų | 183 | 160.8 Ų | 160.8 | 90% | 0.901 | 85% | 0.853 | S | S | * | * | | | trans | -75.6 | 85.3 | 167.2 | -70.5 | -161.2 | 74.1 | 0 | 0 | 109.9 | L5 R9 | L5-M7 PolarHBondContact O-N 3.13Å; M7-R9 PolarHBondContact O-N 3Å |
| 8 | N | 48 | Very low | 45.2 | Very low | 152 Ų | 152 | 155.9 Ų | 155.9 | 81% | 0.813 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 118.7 | 167.1 | -104.6 | 11.3 | 0 | 0 | 0 | 109 | S6 | S6-N8 VanDerWaalsContact C-N 3.31Å; S6-N8 PolarHBondContact O-N 3.3Å |
| 9 | R | 43.3 | Very low | 44.5 | Very low | 238 Ų | 238 | 153.2 Ų | 153.2 | 90% | 0.898 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 143.5 | 170.3 | -65.8 | -169.2 | -171.1 | 174.9 | 4.4 | 109.4 | M7 C11 | M7-R9 PolarHBondContact O-N 3Å; R9-C11 PolarHBondContact O-N 3.41Å |
| 10 | F | 48.1 | Very low | 44.3 | Very low | 205 Ų | 205 | 150.1 Ų | 150.1 | 90% | 0.899 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 121.3 | 165 | -62.5 | -96.8 | 0 | 0 | 0 | 110.8 | | |
| 11 | C | 40.8 | Very low | 44.3 | Very low | 122 Ų | 122 | 152.6 Ų | 152.6 | 82% | 0.824 | 85% | 0.848 | S | S | * | * | | | trans | 177.2 | 110.9 | 145.8 | -101 | 0 | 0 | 0 | 0 | 110 | R9 | R9-C11 PolarHBondContact O-N 3.41Š|
| 12 | E | 37 | Very low | 44.1 | Very low | 180 Ų | 180 | 148.4 Ų | 148.4 | 84% | 0.841 | 83% | 0.829 | S | S | * | * | | | | 170.2 | 122.6 | 123.5 | -95.2 | 175.1 | -168.1 | 0 | 0 | 109.7 | I14 | E12-I14 PolarHBondContact O-N 3.43Š|
| 13 | P | 40.9 | Very low | 43.8 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | | | trans | -77.6 | 114.4 | 170.8 | 30.7 | -30.1 | 0 | 0 | 0 | 109.3 | V15 | P13-V15 PolarHBondContact O-N 3.28Å; P13-V15 VanDerWaalsContact O-N 3.11Å |
| 14 | I | 42.7 | Very low | 43.1 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | | | trans | -66 | 112.5 | 174 | -56.8 | 172.9 | 0 | 0 | 0 | 108.1 | E12 S16 | E12-I14 PolarHBondContact O-N 3.43Å; I14-S16 PolarHBondContact O-N 3.41Å |
| 15 | V | 40.8 | Very low | 42.3 | Very low | 139 Ų | 139 | 145.5 Ų | 145.5 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | | | trans | -71.5 | 94.7 | 170.3 | -179.9 | 0 | 0 | 0 | 0 | 108 | P13 | P13-V15 PolarHBondContact O-N 3.28Å; P13-V15 VanDerWaalsContact O-N 3.11Å |
| 16 | S | 39.9 | Very low | 41.8 | Very low | 106 Ų | 106 | 146.4 Ų | 146.4 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | | | trans | -90.9 | 107.7 | 165.5 | -76.9 | 0 | 0 | 0 | 0 | 109.8 | I14 G18 | I14-S16 PolarHBondContact O-N 3.41Å; S16-G18 PolarHBondContact O-N 3.28Å |
| 17 | E | 40.8 | Very low | 41.2 | Very low | 197 Ų | 197 | 147 Ų | 147 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | | | trans | -49.8 | 119.5 | 165.7 | -177.9 | 176.8 | -175.7 | 0 | 0 | 111.5 | | |
| 18 | G | 37.3 | Very low | 41.1 | Very low | 72 Ų | 72 | 146.7 Ų | 146.7 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | | | trans | 159.5 | 68 | 179.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | S16 | S16-G18 PolarHBondContact O-N 3.28Š|
| 19 | A | 33.3 | Very low | 41 | Very low | 104 Ų | 104 | 149 Ų | 149 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | | | trans | 35.8 | 102.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 20 | A | 39.7 | Very low | 41.1 | Very low | 91 Ų | 91 | 145.4 Ų | 145.4 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | | | | -173.5 | 135.2 | 120.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | I22 | A20-I22 PolarHBondContact O-N 3.01Å; A20-I22 VanDerWaalsContact O-N 3.15Å |
| 21 | E | 43.7 | Very low | 40.7 | Very low | 204 Ų | 204 | 140.3 Ų | 140.3 | 95% | 0.953 | 81% | 0.805 | S | S | * | * | | | trans | -68.7 | 107.9 | 176.3 | -63.9 | 176.3 | 137.2 | 0 | 0 | 110.6 | | |
| 22 | I | 42.9 | Very low | 40.6 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | | | trans | -90.9 | 109.4 | 167.8 | -58.3 | 178 | 0 | 0 | 0 | 107.3 | A20 G24 | A20-I22 PolarHBondContact O-N 3.01Å; A20-I22 VanDerWaalsContact O-N 3.15Å; I22-G24 PolarHBondContact O-N 3.4Å |
| 23 | A | 41.7 | Very low | 40.6 | Very low | 78 Ų | 78 | 138.7 Ų | 138.7 | 65% | 0.645 | 80% | 0.802 | S | S | * | * | | | trans | -53.6 | 134.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y25 | A23-Y25 PolarHBondContact O-N 3.34Å; A23-Y25 VanDerWaalsContact O-N 3.1Å |
| 24 | G | 38 | Very low | 40.3 | Very low | 76 Ų | 76 | 144 Ų | 144 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | | | trans | -63.6 | 111.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I22 Q26 | I22-G24 PolarHBondContact O-N 3.4Å; G24-Q26 PolarHBondContact O-N 3.11Å |
| 25 | Y | 36.8 | Very low | 40 | Very low | 221 Ų | 221 | 140.4 Ų | 140.4 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | | | trans | -68.8 | 105.7 | 172.8 | -83.5 | -88.6 | 0 | 0 | 0 | 109.9 | A23 | A23-Y25 PolarHBondContact O-N 3.34Å; A23-Y25 VanDerWaalsContact O-N 3.1Å |
| 26 | Q | 39.8 | Very low | 39.8 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | | | trans | -72.5 | 135.2 | -176.4 | -166 | 160.3 | 4.4 | 0 | 0 | 111.1 | G24 L28 | G24-Q26 PolarHBondContact O-N 3.11Å; Q26-L28 PolarHBondContact O-N 3.41Å; Q26-L28 VanDerWaalsContact O-N 3.16Å |
| 27 | T | 40.8 | Very low | 39.9 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 71% | 0.712 | 81% | 0.813 | S | S | * | * | | | trans | -68.4 | 109.5 | 179.9 | 32.1 | 0 | 0 | 0 | 0 | 111.6 | W29 | T27-W29 VanDerWaalsContact C-N 3.35Å; T27-W29 PolarHBondContact O-N 2.82Å |
| 28 | L | 46.3 | Very low | 40 | Very low | 176 Ų | 176 | 135 Ų | 135 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 57.7 | -169.9 | -171 | 97.5 | 0 | 0 | 0 | 113.9 | Q26 | Q26-L28 PolarHBondContact O-N 3.41Å; Q26-L28 VanDerWaalsContact O-N 3.16Å |
| 29 | W | 47.3 | Very low | 40.6 | Very low | 200 Ų | 200 | 137.3 Ų | 137.3 | 76% | 0.758 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.3 | 7.8 | 173.8 | 58.1 | -93.3 | 0 | 0 | 0 | 117.9 | T27 | T27-W29 VanDerWaalsContact C-N 3.35Å; T27-W29 PolarHBondContact O-N 2.82Å |
| 30 | E | 45.5 | Very low | 41.1 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | | | trans | -131 | 85.1 | 173 | -67 | -171.9 | 127.5 | 0 | 0 | 112.3 | | |
| 31 | A | 39.7 | Very low | 40.7 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | trans | -169.9 | 60.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 32 | D | 37.5 | Very low | 40.7 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | | | trans | -115.3 | 82.5 | 160.6 | -103.7 | -35.4 | 0 | 0 | 0 | 109.4 | | |
| 33 | S | 37 | Very low | 40.2 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | | | trans | -159.4 | 100.9 | 173.4 | -87.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 34 | Y | 35.5 | Very low | 39.9 | Very low | 232 Ų | 232 | 137.5 Ų | 137.5 | 91% | 0.91 | 82% | 0.82 | S | S | * | * | | | trans | 58.2 | 126.7 | 151.1 | -57.3 | -80.7 | 0 | 0 | 0 | 120.5 | | |
| 35 | G | 35.3 | Very low | 39.7 | Very low | 76 Ų | 76 | 138.7 Ų | 138.7 | 78% | 0.784 | 82% | 0.822 | S | S | * | * | | | trans | 112.5 | 76.5 | 145.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 36 | G | 37 | Very low | 40.2 | Very low | 82 Ų | 82 | 133.9 Ų | 133.9 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | | | trans | -81.3 | 143.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 37 | P | 41.5 | Very low | 40.1 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | | | trans | -119.5 | 128.1 | 150.6 | 12.6 | 7.9 | 0 | 0 | 0 | 111.5 | | |
| 38 | S | 43.8 | Very low | 40 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 159.5 | 174.5 | -62.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 39 | P | 48.6 | Very low | 39.4 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 166.5 | -170.7 | 30.5 | -36.6 | 0 | 0 | 0 | 114.6 | | |
| 40 | P | 44.3 | Very low | 38.8 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 147.1 | -172 | 30.9 | -36.6 | 0 | 0 | 0 | 113.8 | | |
| 41 | G | 32.2 | Very low | 38.7 | Very low | 72 Ų | 72 | 132.3 Ų | 132.3 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | | | trans | -115.4 | 171 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 42 | P | 43.5 | Very low | 38.3 | Very low | 129 Ų | 129 | 131 Ų | 131 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | | | trans | -119.8 | 161.8 | 171.9 | 38.9 | -28.4 | 0 | 0 | 0 | 115.3 | | |
| 43 | A | 31.8 | Very low | 38.3 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | | | trans | 82.2 | 99.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 44 | Q | 35.9 | Very low | 38.1 | Very low | 200 Ų | 200 | 127.3 Ų | 127.3 | 94% | 0.935 | 83% | 0.827 | S | S | * | * | | | trans | -7 | 142.9 | 148.9 | -56 | -179 | -17.7 | 0 | 0 | 122.7 | | |
| 45 | A | 32.9 | Very low | 39.4 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | | | | -171.7 | 143.6 | 124.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 46 | P | 48 | Very low | 40.1 | Very low | 121 Ų | 121 | 124.2 Ų | 124.2 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | | | trans | -124.1 | 141.7 | 178.4 | 38.9 | -26.5 | 0 | 0 | 0 | 116.6 | | |
| 47 | L | 36.9 | Very low | 40.1 | Very low | 172 Ų | 172 | 128.5 Ų | 128.5 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | | | trans | -149.7 | 121.1 | 161.3 | -68.6 | 174.5 | 0 | 0 | 0 | 106.3 | | |
| 48 | Q | 39.5 | Very low | 40 | Very low | 194 Ų | 194 | 127 Ų | 127 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | | | cis | 93.6 | 121.3 | 41.2 | -166.1 | -172.1 | 91.7 | 0 | 0 | 114.1 | | |
| 49 | G | 34.2 | Very low | 39.8 | Very low | 71 Ų | 71 | 125.4 Ų | 125.4 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | | | trans | 97.1 | 149.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 50 | D | 34.8 | Very low | 39.1 | Very low | 140 Ų | 140 | 125.5 Ų | 125.5 | 75% | 0.749 | 83% | 0.828 | S | S | * | * | | | cis | -161.2 | 176.6 | -14.5 | -167.9 | 20.8 | 0 | 0 | 0 | 110.4 | | |
| 51 | R | 42.5 | Very low | 39.2 | Very low | 226 Ų | 226 | 127.5 Ų | 127.5 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | | | trans | -29.9 | 161.2 | 171 | -64.4 | 148.7 | -179.2 | -118.3 | -0.2 | 117.4 | | |
| 52 | G | 32.5 | Very low | 39.2 | Very low | 70 Ų | 70 | 134.7 Ų | 134.7 | 72% | 0.722 | 83% | 0.832 | S | S | * | * | | | cis | 149.8 | -167.9 | 5.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 53 | A | 35.8 | Very low | 39.1 | Very low | 118 Ų | 118 | 140 Ų | 140 | 98% | 0.975 | 84% | 0.835 | S | S | * | * | | | trans | 78.6 | 156.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 54 | G | 32.7 | Very low | 39.2 | Very low | 71 Ų | 71 | 138.5 Ų | 138.5 | 73% | 0.732 | 83% | 0.829 | S | S | * | * | | | trans | -122.8 | -145.7 | -157.5 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 55 | P | 63 | Low | 39.5 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | | | trans | -97.7 | 176.4 | -138.4 | 40 | -41 | 0 | 0 | 0 | 116.5 | | |
| 56 | P | 50.2 | Low | 39.8 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | | | | -148.7 | 148.6 | 111.3 | 37.8 | -21.7 | 0 | 0 | 0 | 118.6 | | |
| 57 | L | 38.5 | Very low | 39.7 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 90% | 0.901 | 83% | 0.828 | S | S | * | * | | | trans | 36.7 | 140.7 | 138.4 | -64.5 | 170.6 | 0 | 0 | 0 | 125.5 | | |
| 58 | A | 38 | Very low | 40.4 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | | | trans | 80 | 88 | 139.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 59 | G | 40.8 | Very low | 40.4 | Very low | 83 Ų | 83 | 133.2 Ų | 133.2 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | | | | 47.2 | 115.6 | 122.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 60 | S | 33.7 | Very low | 40.9 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | trans | -153.8 | 129.9 | 143 | -171.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 61 | H | 46.2 | Very low | 41.2 | Very low | 175 Ų | 175 | 136 Ų | 136 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | | | trans | -80.1 | 132.2 | 170.1 | -103.4 | -94.7 | 0 | 0 | 0 | 109.4 | | |
| 62 | Y | 31 | Very low | 41.4 | Very low | 222 Ų | 222 | 130.4 Ų | 130.4 | 87% | 0.871 | 82% | 0.817 | S | S | * | * | | | | -176.1 | 125.2 | 128.7 | -97.4 | -64.6 | 0 | 0 | 0 | 112.3 | | |
| 63 | R | 43.3 | Very low | 42.3 | Very low | 241 Ų | 241 | 137.1 Ų | 137.1 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | | | trans | 21 | 111.5 | 148.2 | -171.6 | -160.1 | -69.1 | -99.9 | 7.5 | 118.7 | | |
| 64 | G | 33.9 | Very low | 43.6 | Very low | 68 Ų | 68 | 139.3 Ų | 139.3 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | | | trans | 162.5 | 112.9 | 154.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 65 | T | 41.5 | Very low | 44.3 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | | | trans | 10.9 | 129.3 | 152.7 | 55.8 | 0 | 0 | 0 | 0 | 118.7 | | |
| 66 | S | 38.6 | Very low | 43.7 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | | -158.7 | 154.8 | 53.7 | 45.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 67 | N | 45.8 | Very low | 43.5 | Very low | 157 Ų | 157 | 148.3 Ų | 148.3 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | | | trans | -81.8 | 170.8 | 165.6 | -79.6 | -22.5 | 0 | 0 | 0 | 110.4 | | |
| 68 | P | 51.4 | Low | 44 | Very low | 108 Ų | 108 | 148.6 Ų | 148.6 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | | | cis | -132 | 174.5 | 9.8 | 35.6 | -16.5 | 0 | 0 | 0 | 115.3 | | |
| 69 | L | 40.3 | Very low | 44.7 | Very low | 154 Ų | 154 | 154.9 Ų | 154.9 | 81% | 0.806 | 83% | 0.825 | S | S | * | * | | | | -171.4 | 145.6 | 121.2 | -122.2 | 73 | 0 | 0 | 0 | 112.1 | | |
| 70 | T | 43.9 | Very low | 45 | Very low | 122 Ų | 122 | 159.3 Ų | 159.3 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | | | trans | 57.2 | 89.7 | 157.3 | -73.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 71 | T | 40.8 | Very low | 45.8 | Very low | 147 Ų | 147 | 164 Ų | 164 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | | | trans | -90.6 | 116.9 | 163.3 | 48.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 72 | S | 47.6 | Very low | 46.3 | Very low | 108 Ų | 108 | 161.2 Ų | 161.2 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | | | trans | -137.3 | 90.3 | 173.9 | -91.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 73 | K | 51.1 | Low | 47.3 | Very low | 211 Ų | 211 | 158.6 Ų | 158.6 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | | | trans | -176.9 | 142.5 | 137 | -106.8 | 169.2 | -179.1 | 175.8 | 0 | 112.2 | | |
| 74 | I | 63.4 | Low | 47.7 | Very low | 164 Ų | 164 | 154.4 Ų | 154.4 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | | | trans | -71.1 | 128.5 | 174.2 | -64.6 | 155.8 | 0 | 0 | 0 | 109.1 | | |
| 75 | A | 47.6 | Very low | 48.6 | Very low | 94 Ų | 94 | 157 Ų | 157 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | | | trans | -139.6 | 121.3 | 160 | 0 | 0 | 0 | 0 | 0 | 108.4 | F77 | A75-F77 PolarHBondContact O-N 3.11Š|
| 76 | Y | 50.9 | Low | 48.7 | Very low | 208 Ų | 208 | 156.4 Ų | 156.4 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | | | trans | -59 | 129.1 | 170.7 | -82.8 | -115.7 | 0 | 0 | 0 | 109.3 | | |
| 77 | F | 44.3 | Very low | 48.9 | Very low | 203 Ų | 203 | 159.7 Ų | 159.7 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | | | trans | -170 | 133.2 | 134 | -92.1 | -60.7 | 0 | 0 | 0 | 110.8 | A75 | A75-F77 PolarHBondContact O-N 3.11Š|
| 78 | K | 50.1 | Low | 48.8 | Very low | 177 Ų | 177 | 158.7 Ų | 158.7 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | | | trans | 58.2 | 94.3 | 149.5 | -159.9 | 171.1 | -170.3 | 169.5 | 0 | 116.4 | K80 | K78-K80 PolarHBondContact O-N 3.05Š|
| 79 | R | 51.5 | Low | 48.4 | Very low | 230 Ų | 230 | 158.5 Ų | 158.5 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | | | trans | -54.8 | 99.2 | 156.2 | -82.7 | -173.5 | -80.2 | 133 | -6.7 | 109.1 | | |
| 80 | K | 47.6 | Very low | 48.7 | Very low | 176 Ų | 176 | 156.2 Ų | 156.2 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 127.9 | 151.8 | -86.6 | -78.5 | -169.4 | 165.7 | 0 | 105.8 | K78 V82 | K78-K80 PolarHBondContact O-N 3.05Å; K80-V82 PolarHBondContact O-N 3.18Å |
| 81 | Y | 50 | Low | 48.9 | Very low | 221 Ų | 221 | 158 Ų | 158 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 126.6 | 166.5 | -77.1 | -107.1 | 0 | 0 | 0 | 107.4 | | |
| 82 | V | 57 | Low | 49 | Very low | 117 Ų | 117 | 156.3 Ų | 156.3 | 71% | 0.709 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 117.9 | 155.9 | 82.9 | 0 | 0 | 0 | 0 | 105.3 | K80 E84 | K80-V82 PolarHBondContact O-N 3.18Å; V82-E84 HydrophobicContact CG1-CG 4.17Å; V82-E84 HydrophobicContact CG2-CG 3.99Å |
| 83 | E | 52.1 | Low | 48.8 | Very low | 167 Ų | 167 | 156 Ų | 156 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | | | trans | -80 | 104.6 | 164.6 | 178.9 | 172.4 | -125.7 | 0 | 0 | 104.1 | | |
| 84 | E | 51.2 | Low | 48.3 | Very low | 153 Ų | 153 | 149.6 Ų | 149.6 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | | | trans | -127.8 | 108.8 | 167 | -76.3 | -76.8 | 172.4 | 0 | 0 | 104.8 | V82 D86 | V82-E84 HydrophobicContact CG1-CG 4.17Å; V82-E84 HydrophobicContact CG2-CG 3.99Å; E84-D86 VanDerWaalsContact C-N 3.3Å; E84-D86 PolarHBondContact O-N 3.33Å |
| 85 | E | 53.3 | Low | 47.3 | Very low | 123 Ų | 123 | 145 Ų | 145 | 58% | 0.575 | 73% | 0.731 | S | S | * | * | | | trans | -61.8 | 88.1 | 174.2 | -84.3 | 80.6 | 165.1 | 0 | 0 | 111.2 | F87 | E85-F87 HydrophobicContact CB-CD2 3.75Å; E85-F87 HydrophobicContact CB-CE2 3.49Å; E85-F87 VanDerWaalsContact CB-CE2 3.49Å; E85-F87 HydrophobicContact CB-CZ 4.27Å; E85-F87 HydrophobicContact CG-CE2 4.05Å; E85-F87 HydrophobicContact CG-CZ 4.38Å; E85-F87 WeakPolarHBondContact O-CD2 3.37Å; E85-F87 PolarHBondContact O-N 3.22Å |
| 86 | D | 43.8 | Very low | 47.2 | Very low | 128 Ų | 128 | 149.6 Ų | 149.6 | 68% | 0.684 | 74% | 0.736 | S | S | * | * | | | trans | -62.8 | 88.8 | 157.8 | -90.4 | -33.7 | 0 | 0 | 0 | 108.6 | E84 H88 | E84-D86 VanDerWaalsContact C-N 3.3Å; E84-D86 PolarHBondContact O-N 3.33Å; D86-H88 PolarHBondContact O-N 2.83Å; D86-H88 IonicContact OD1-NE2 3.52Å |
| 87 | F | 42.7 | Very low | 47.1 | Very low | 186 Ų | 186 | 147.4 Ų | 147.4 | 82% | 0.816 | 73% | 0.73 | S | S | * | * | | | trans | -68.2 | 51.5 | 166.6 | -77.5 | -82.4 | 0 | 0 | 0 | 111.4 | E85 P89 | E85-F87 HydrophobicContact CB-CD2 3.75Å; E85-F87 HydrophobicContact CB-CE2 3.49Å; E85-F87 VanDerWaalsContact CB-CE2 3.49Å; E85-F87 HydrophobicContact CB-CZ 4.27Å; E85-F87 HydrophobicContact CG-CE2 4.05Å; E85-F87 HydrophobicContact CG-CZ 4.38Å; E85-F87 WeakPolarHBondContact O-CD2 3.37Å; E85-F87 PolarHBondContact O-N 3.22Å; F87-P89 WeakPolarHBondContact O-CD 3.27Å |
| 88 | H | 43.8 | Very low | 47.5 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 63% | 0.625 | 73% | 0.727 | S | S | * | * | | | trans | -79.6 | 120.6 | 158 | -66.7 | -37.9 | 0 | 0 | 0 | 107.9 | D86 P90 | D86-H88 PolarHBondContact O-N 2.83Å; D86-H88 IonicContact OD1-NE2 3.52Å; H88-P90 WeakPolarHBondContact O-CD 3.09Å; H88-P90 VanDerWaalsContact O-N 3.13Å |
| 89 | P | 43.9 | Very low | 47.7 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 68% | 0.682 | 71% | 0.713 | S | S | * | * | | | trans | -56 | 120.6 | 168 | -21.4 | 32.7 | 0 | 0 | 0 | 108.3 | F87 L91 | F87-P89 WeakPolarHBondContact O-CD 3.27Å; P89-L91 PolarHBondContact O-N 3.38Å |
| 90 | P | 45.6 | Very low | 48.7 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 68% | 0.682 | 69% | 0.69 | S | S | * | * | | | trans | -71.9 | 83.1 | 178.7 | -17.9 | 33.4 | 0 | 0 | 0 | 109.5 | H88 S92 | H88-P90 WeakPolarHBondContact O-CD 3.09Å; H88-P90 VanDerWaalsContact O-N 3.13Å; P90-S92 PolarHBondContact O-N 3.49Å |
| 91 | L | 48 | Very low | 50.3 | Low | 159 Ų | 159 | 128.9 Ų | 128.9 | 83% | 0.832 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 112.5 | 169.7 | -70 | 178.3 | 0 | 0 | 0 | 107.6 | P89 | P89-L91 PolarHBondContact O-N 3.38Š|
| 92 | S | 44.3 | Very low | 52 | Low | 113 Ų | 113 | 121.4 Ų | 121.4 | 79% | 0.79 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.6 | 43.3 | 176.3 | 73.2 | 0 | 0 | 0 | 0 | 118.8 | P90 C94 | P90-S92 PolarHBondContact O-N 3.49Å; S92-C94 PolarHBondContact O-N 3.12Å; S92-C94 VanDerWaalsContact O-N 3.09Å |
| 93 | S | 42.3 | Very low | 53.5 | Low | 101 Ų | 101 | 120.9 Ų | 120.9 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | | | trans | -77.3 | 47.1 | 143 | 64.1 | 0 | 0 | 0 | 0 | 111.7 | S95 | S93-S95 PolarHBondContact O-N 3.26Š|
| 94 | C | 40.4 | Very low | 55.4 | Low | 76 Ų | 76 | 118.1 Ų | 118.1 | 51% | 0.514 | 63% | 0.631 | S | S | . | * | | | trans | -64.6 | 108.6 | 162.2 | -176.4 | 0 | 0 | 0 | 0 | 106.1 | S92 H96 | S92-C94 PolarHBondContact O-N 3.12Å; S92-C94 VanDerWaalsContact O-N 3.09Å; C94-H96 PolarHBondContact O-N 3.07Å |
| 95 | S | 42.7 | Very low | 57.4 | Low | 69 Ų | 69 | 113.4 Ų | 113.4 | 48% | 0.483 | 61% | 0.606 | S | S | . | * | | | trans | -57.8 | 119.3 | 172.4 | 60 | 0 | 0 | 0 | 0 | 107.6 | S93 K97 | S93-S95 PolarHBondContact O-N 3.26Å; S95-K97 PolarHBondContact O-N 3.47Å |
| 96 | H | 44.8 | Very low | 59.4 | Low | 190 Ų | 190 | 109.2 Ų | 109.2 | 88% | 0.88 | 59% | 0.593 | S | S | * | * | | | trans | -68.4 | 54.1 | 172.5 | -73.3 | -85.4 | 0 | 0 | 0 | 111.2 | C94 T98 | C94-H96 PolarHBondContact O-N 3.07Å; H96-T98 PolarHBondContact O-N 3.41Å |
| 97 | K | 49.7 | Very low | 61.8 | Low | 161 Ų | 161 | 108.7 Ų | 108.7 | 70% | 0.7 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -78.3 | 81.7 | 166.9 | -71.8 | 176.6 | -179.3 | 173.2 | 0 | 107 | S95 I99 | S95-K97 PolarHBondContact O-N 3.47Å; K97-I99 VanDerWaalsContact C-N 3.31Å; K97-I99 PolarHBondContact O-N 3.4Å |
| 98 | T | 52.3 | Low | 64.4 | Low | 134 Ų | 134 | 103.3 Ų | 103.3 | 82% | 0.822 | 57% | 0.565 | S | S | * | * | | | trans | 53.8 | 34.7 | 154.7 | 62.8 | 0 | 0 | 0 | 0 | 116.7 | H96 S100 | H96-T98 PolarHBondContact O-N 3.41Å; T98-S100 PolarHBondContact O-N 2.83Å; T98-S100 VanDerWaalsContact O-N 3.11Å |
| 99 | I | 53.7 | Low | 66.9 | Low | 95 Ų | 95 | 98 Ų | 98 | 49% | 0.487 | 54% | 0.541 | S | S | . | . | | | trans | -60.7 | 117.6 | 161.3 | -62.5 | 173.7 | 0 | 0 | 0 | 106 | K97 E103 E104 | K97-I99 VanDerWaalsContact C-N 3.31Å; K97-I99 PolarHBondContact O-N 3.4Å; I99-E103 HydrophobicContact CG2-CB 4.21Å; I99-E103 HydrophobicContact CG2-CG 4.24Å; I99-E104 HydrophobicContact CG2-CB 4.42Å |
| 100 | S | 74.3 | Confident | 69.4 | Low | 55 Ų | 55 | 100 Ų | 100 | 39% | 0.385 | 54% | 0.536 | S | S | . | . | | | trans | -66.4 | 141.5 | -177 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | T98 F102 E103 E104 | T98-S100 PolarHBondContact O-N 2.83Å; T98-S100 VanDerWaalsContact O-N 3.11Å; S100-F102 PolarHBondContact O-N 3.14Å; S100-F102 PolarHBondContact OG-N 2.85Å; S100-E103 PolarHBondContact N-OE2 3.22Å; S100-E103 WeakPolarHBondContact O-CA 3.43Å; S100-E103 WeakPolarHBondContact O-CB 3.24Å; S100-E103 PolarHBondContact O-N 3.39Å; S100-E104 PolarHBondContact O-N 2.99Å |
| 101 | I | 80.6 | Confident | 71.9 | Confident | 114 Ų | 114 | 97.7 Ų | 97.7 | 59% | 0.585 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -56.8 | -27 | 175.6 | -41.9 | 177.6 | 0 | 0 | 0 | 110.1 | R105 | I101-R105 WeakPolarHBondContact O-CB 3.33Å; I101-R105 VanDerWaalsContact O-CG 3.29Å; I101-R105 WeakPolarHBondContact O-CG 3.34Å; I101-R105 PolarHBondContact O-N 3.39Å; I101-R105 PolarHBondContact O-NE 2.91Å |
| 102 | F | 85.6 | Confident | 74.3 | Confident | 63 Ų | 63 | 91.3 Ų | 91.3 | 28% | 0.276 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64 | -46.6 | 169.7 | 172.6 | -95.9 | 0 | 0 | 0 | 113.3 | S100 R105 A106 I139 I143 | S100-F102 PolarHBondContact O-N 3.14Å; S100-F102 PolarHBondContact OG-N 2.85Å; F102-R105 PolarHBondContact O-N 3.37Å; F102-A106 WeakPolarHBondContact O-CB 3.49Å; F102-A106 PolarHBondContact O-N 3.47Å; F102-I139 HydrophobicContact CD2-CG2 4.12Å; F102-I139 HydrophobicContact CE2-CG2 3.41Å; F102-I139 VanDerWaalsContact CE2-CG2 3.41Å; F102-I139 HydrophobicContact CZ-CG2 4.11Å; F102-I143 HydrophobicContact CD2-CG1 4.12Å; F102-I143 HydrophobicContact CE2-CD1 3.52Å; F102-I143 HydrophobicContact CE2-CG1 3.32Å; F102-I143 HydrophobicContact CZ-CD1 3.74Å; F102-I143 HydrophobicContact CZ-CG1 3.84Å |
| 103 | E | 88.6 | Confident | 76.8 | Confident | 107 Ų | 107 | 89.2 Ų | 89.2 | 50% | 0.5 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67 | -43.7 | -177 | -176.4 | 179.9 | -170.6 | 0 | 0 | 111.6 | I99 S100 R105 A106 H107 | I99-E103 HydrophobicContact CG2-CB 4.21Å; I99-E103 HydrophobicContact CG2-CG 4.24Å; S100-E103 PolarHBondContact N-OE2 3.22Å; S100-E103 WeakPolarHBondContact O-CA 3.43Å; S100-E103 WeakPolarHBondContact O-CB 3.24Å; S100-E103 PolarHBondContact O-N 3.39Å; E103-R105 VanDerWaalsContact C-N 3.31Å; E103-R105 PolarHBondContact O-N 3.43Å; E103-A106 PolarHBondContact O-N 2.95Å; E103-H107 PolarHBondContact O-N 3.4Å |
| 104 | E | 91.8 | Very high | 79.4 | Confident | 108 Ų | 108 | 88.3 Ų | 88.3 | 51% | 0.505 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -56.4 | -46.5 | 171.8 | -173.7 | -170.1 | 171.3 | 0 | 0 | 111.1 | I99 S100 H107 I108 | I99-E104 HydrophobicContact CG2-CB 4.42Å; S100-E104 PolarHBondContact O-N 2.99Å; E104-H107 PolarHBondContact O-N 2.82Å; E104-I108 HydrophobicContact CG-CD1 4.07Å; E104-I108 VanDerWaalsContact O-CG1 3.3Å; E104-I108 WeakPolarHBondContact O-CG1 3.3Å; E104-I108 PolarHBondContact O-N 2.97Å |
| 105 | R | 93.8 | Very high | 82.2 | Confident | 55 Ų | 55 | 90.6 Ų | 90.6 | 21% | 0.208 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -68.2 | -35.3 | 179.5 | -74.7 | -180 | -71.8 | -174.2 | 6.6 | 112.7 | I101 F102 E103 I108 L109 L135 I139 E142 | I101-R105 WeakPolarHBondContact O-CB 3.33Å; I101-R105 VanDerWaalsContact O-CG 3.29Å; I101-R105 WeakPolarHBondContact O-CG 3.34Å; I101-R105 PolarHBondContact O-N 3.39Å; I101-R105 PolarHBondContact O-NE 2.91Å; F102-R105 PolarHBondContact O-N 3.37Å; E103-R105 VanDerWaalsContact C-N 3.31Å; E103-R105 PolarHBondContact O-N 3.43Å; R105-I108 PolarHBondContact O-N 2.8Å; R105-L109 WeakPolarHBondContact O-CB 3.33Å; R105-L109 PolarHBondContact O-N 3.48Å; R105-L135 HydrophobicContact CB-CD1 4.25Å; R105-L135 HydrophobicContact CG-CD1 4.39Å; R105-I139 HydrophobicContact CB-CD1 3.94Å; R105-I139 HydrophobicContact CB-CG1 4Å; R105-I139 WeakPolarHBondContact O-CD1 3.39Å; R105-E142 VanDerWaalsContact CZ-CD 3.5Å; R105-E142 IonicContact CZ-OE1 2.66Å; R105-E142 IonicContact CZ-OE2 2.96Å; R105-E142 IonicContact NE-OE2 2.61Å; R105-E142 VanDerWaalsContact NH1-CD 3.26Å; R105-E142 IonicContact NH1-OE1 3.73Å; R105-E142 PolarHBondContact NH1-OE1 3.47Å; R105-E142 IonicContact NH1-OE2 3.36Å; R105-E142 PolarHBondContact NH1-OE2 2.98Å; R105-E142 VanDerWaalsContact NH1-OE2 3.12Å; R105-E142 IonicContact NH2-OE1 3.21Å; R105-E142 IonicContact NH2-OE2 2.67Å; R105-E142 PolarHBondContact NH2-OE2 2.93Å |
| 106 | A | 94.4 | Very high | 84.8 | Confident | 35 Ų | 35 | 88 Ų | 88 | 29% | 0.289 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F102 E103 L109 Y110 | F102-A106 WeakPolarHBondContact O-CB 3.49Å; F102-A106 PolarHBondContact O-N 3.47Å; E103-A106 PolarHBondContact O-N 2.95Å; A106-L109 WeakPolarHBondContact O-CB 3.35Å; A106-L109 PolarHBondContact O-N 3.36Å; A106-Y110 PolarHBondContact O-N 3.28Å |
| 107 | H | 95.4 | Very high | 87.2 | Confident | 117 Ų | 117 | 86.9 Ų | 86.9 | 54% | 0.542 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 174.4 | -179.8 | -111 | 0 | 0 | 0 | 112.1 | E103 E104 L109 Y110 M111 | E103-H107 PolarHBondContact O-N 3.4Å; E104-H107 PolarHBondContact O-N 2.82Å; H107-L109 VanDerWaalsContact C-N 3.32Å; H107-L109 PolarHBondContact O-N 3Å; H107-Y110 PolarHBondContact O-N 3.28Å; H107-M111 WeakPolarHBondContact O-CB 3.41Å; H107-M111 WeakPolarHBondContact O-CG 3.33Å; H107-M111 PolarHBondContact O-N 3.1Å |
| 108 | I | 96.1 | Very high | 89.5 | Confident | 72 Ų | 72 | 86.7 Ų | 86.7 | 37% | 0.369 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 173.9 | -67.9 | 165 | 0 | 0 | 0 | 111.2 | E104 R105 S112 L135 | E104-I108 HydrophobicContact CG-CD1 4.07Å; E104-I108 VanDerWaalsContact O-CG1 3.3Å; E104-I108 WeakPolarHBondContact O-CG1 3.3Å; E104-I108 PolarHBondContact O-N 2.97Å; R105-I108 PolarHBondContact O-N 2.8Å; I108-S112 VanDerWaalsContact O-CB 3.22Å; I108-S112 WeakPolarHBondContact O-CB 3.27Å; I108-S112 PolarHBondContact O-N 3.21Å; I108-S112 PolarHBondContact O-OG 3.32Å; I108-L135 HydrophobicContact CB-CD2 4.45Å; I108-L135 HydrophobicContact CG2-CD2 3.89Å |
| 109 | L | 96.8 | Very high | 91.7 | Very high | 23 Ų | 23 | 81.9 Ų | 81.9 | 12% | 0.12 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 176.4 | 177.4 | 65.2 | 0 | 0 | 0 | 111.2 | R105 A106 H107 S112 L113 I132 L135 M136 I139 | R105-L109 WeakPolarHBondContact O-CB 3.33Å; R105-L109 PolarHBondContact O-N 3.48Å; A106-L109 WeakPolarHBondContact O-CB 3.35Å; A106-L109 PolarHBondContact O-N 3.36Å; H107-L109 VanDerWaalsContact C-N 3.32Å; H107-L109 PolarHBondContact O-N 3Å; L109-S112 PolarHBondContact O-N 2.87Å; L109-L113 HydrophobicContact CD1-CD1 4.25Å; L109-L113 HydrophobicContact CD1-CG 4.43Å; L109-L113 HydrophobicContact CG-CD1 4.12Å; L109-L113 WeakPolarHBondContact O-CG 3.42Å; L109-L113 PolarHBondContact O-N 2.96Å; L109-I132 HydrophobicContact CD1-CG2 3.8Å; L109-L135 HydrophobicContact CB-CD2 3.97Å; L109-L135 HydrophobicContact CB-CG 4.41Å; L109-L135 HydrophobicContact CD1-CD2 4.35Å; L109-L135 HydrophobicContact CD1-CG 4.46Å; L109-M136 HydrophobicContact CD1-CB 4.11Å; L109-M136 HydrophobicContact CD2-CB 4.14Å; L109-M136 HydrophobicContact CD2-CG 4.41Å; L109-I139 HydrophobicContact CB-CD1 4.01Å; L109-I139 HydrophobicContact CD2-CD1 3.98Å |
| 110 | Y | 97.1 | Very high | 93.7 | Very high | 147 Ų | 147 | 85 Ų | 85 | 58% | 0.576 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -59 | -52.5 | 178 | -179.8 | -93.4 | 0 | 0 | 0 | 111.7 | A106 H107 S112 L113 E114 | A106-Y110 PolarHBondContact O-N 3.28Å; H107-Y110 PolarHBondContact O-N 3.28Å; Y110-S112 PolarHBondContact O-N 3.12Å; Y110-L113 PolarHBondContact O-N 3.28Å; Y110-E114 PolarHBondContact O-N 3.04Å |
| 111 | M | 97.8 | Very high | 94.9 | Very high | 57 Ų | 57 | 85.9 Ų | 85.9 | 28% | 0.281 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.6 | -33.3 | 175.6 | -73 | -74.2 | 102.5 | 0 | 0 | 113.1 | H107 E114 K115 | H107-M111 WeakPolarHBondContact O-CB 3.41Å; H107-M111 WeakPolarHBondContact O-CG 3.33Å; H107-M111 PolarHBondContact O-N 3.1Å; M111-E114 WeakPolarHBondContact CE-OE2 3.33Å; M111-K115 WeakPolarHBondContact O-CB 3.37Å; M111-K115 VanDerWaalsContact O-CG 3.28Å; M111-K115 WeakPolarHBondContact O-CG 3.47Å; M111-K115 PolarHBondContact O-N 3.3Å |
| 112 | S | 97.1 | Very high | 95.7 | Very high | 26 Ų | 26 | 85.2 Ų | 85.2 | 18% | 0.182 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -74.8 | -38.3 | 178.5 | -61.9 | 0 | 0 | 0 | 0 | 112.4 | I108 L109 Y110 L116 I132 | I108-S112 VanDerWaalsContact O-CB 3.22Å; I108-S112 WeakPolarHBondContact O-CB 3.27Å; I108-S112 PolarHBondContact O-N 3.21Å; I108-S112 PolarHBondContact O-OG 3.32Å; L109-S112 PolarHBondContact O-N 2.87Å; Y110-S112 PolarHBondContact O-N 3.12Å; S112-L116 WeakPolarHBondContact O-CB 3.34Å; S112-L116 PolarHBondContact O-N 3.5Å; S112-I132 WeakPolarHBondContact O-CD1 3.33Å |
| 113 | L | 97.5 | Very high | 96.3 | Very high | 69 Ų | 69 | 87.3 Ų | 87.3 | 36% | 0.361 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 174.8 | -76.1 | 167.3 | 0 | 0 | 0 | 112.1 | L109 Y110 L116 I132 | L109-L113 HydrophobicContact CD1-CD1 4.25Å; L109-L113 HydrophobicContact CD1-CG 4.43Å; L109-L113 HydrophobicContact CG-CD1 4.12Å; L109-L113 WeakPolarHBondContact O-CG 3.42Å; L109-L113 PolarHBondContact O-N 2.96Å; Y110-L113 PolarHBondContact O-N 3.28Å; L113-L116 WeakPolarHBondContact O-CB 3.4Å; L113-L116 PolarHBondContact O-N 2.96Å; L113-I132 HydrophobicContact CD2-CG2 3.64Å; L113-I132 HydrophobicContact CG-CG2 4.01Å |
| 114 | E | 97.9 | Very high | 96.7 | Very high | 82 Ų | 82 | 85.3 Ų | 85.3 | 38% | 0.383 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.6 | -51.4 | 174.4 | -179 | 168.4 | -142.2 | 0 | 0 | 111 | Y110 M111 L116 K117 F118 | Y110-E114 PolarHBondContact O-N 3.04Å; M111-E114 WeakPolarHBondContact CE-OE2 3.33Å; E114-L116 PolarHBondContact O-N 3.23Å; E114-K117 WeakPolarHBondContact O-CB 3.33Å; E114-K117 PolarHBondContact O-N 3.17Å; E114-F118 WeakPolarHBondContact O-CD2 3.29Å; E114-F118 WeakPolarHBondContact O-CE2 3.25Å |
| 115 | K | 97.6 | Very high | 97 | Very high | 123 Ų | 123 | 85.4 Ų | 85.4 | 54% | 0.535 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.8 | -16.8 | 177.8 | -69 | 176.9 | -180 | -180 | 0 | 113.9 | M111 K117 R128 | M111-K115 WeakPolarHBondContact O-CB 3.37Å; M111-K115 VanDerWaalsContact O-CG 3.28Å; M111-K115 WeakPolarHBondContact O-CG 3.47Å; M111-K115 PolarHBondContact O-N 3.3Å; K115-K117 VanDerWaalsContact C-N 3.32Å; K115-R128 PolarHBondContact O-NH1 3.05Å |
| 116 | L | 97.3 | Very high | 97.3 | Very high | 16 Ų | 16 | 88 Ų | 88 | 8% | 0.084 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -70.3 | -29.8 | 176.8 | -177.4 | 68.2 | 0 | 0 | 0 | 111.8 | S112 L113 E114 F118 I119 Y125 R128 I132 | S112-L116 WeakPolarHBondContact O-CB 3.34Å; S112-L116 PolarHBondContact O-N 3.5Å; L113-L116 WeakPolarHBondContact O-CB 3.4Å; L113-L116 PolarHBondContact O-N 2.96Å; E114-L116 PolarHBondContact O-N 3.23Å; L116-F118 PolarHBondContact O-N 3.46Å; L116-I119 HydrophobicContact CD1-CD1 4.29Å; L116-I119 PolarHBondContact O-N 3.41Å; L116-Y125 HydrophobicContact CD1-CD2 3.76Å; L116-Y125 HydrophobicContact CD1-CE2 3.84Å; L116-Y125 HydrophobicContact CD1-CG 4.36Å; L116-Y125 HydrophobicContact CD2-CE2 4.12Å; L116-Y125 HydrophobicContact CG-CD2 4.09Å; L116-Y125 HydrophobicContact CG-CE2 3.69Å; L116-R128 HydrophobicContact CD1-CB 4.04Å; L116-R128 HydrophobicContact CD1-CG 4.21Å; L116-I132 HydrophobicContact CB-CD1 4Å; L116-I132 HydrophobicContact CD1-CD1 4.19Å; L116-I132 HydrophobicContact CD2-CD1 3.96Å; L116-I132 HydrophobicContact CG-CD1 4.27Å |
| 117 | K | 96.6 | Very high | 97.5 | Very high | 165 Ų | 165 | 93.7 Ų | 93.7 | 72% | 0.717 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -17.7 | -179.5 | -60.9 | 174.2 | -176.4 | 174.8 | 0 | 114.1 | E114 K115 | E114-K117 WeakPolarHBondContact O-CB 3.33Å; E114-K117 PolarHBondContact O-N 3.17Å; K115-K117 VanDerWaalsContact C-N 3.32Å |
| 118 | F | 97.8 | Very high | 97.6 | Very high | 157 Ų | 157 | 91.4 Ų | 91.4 | 69% | 0.689 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 22.3 | -175.4 | -53.6 | -78.4 | 0 | 0 | 0 | 112.8 | E114 L116 | E114-F118 WeakPolarHBondContact O-CD2 3.29Å; E114-F118 WeakPolarHBondContact O-CE2 3.25Å; L116-F118 PolarHBondContact O-N 3.46Å |
| 119 | I | 97 | Very high | 97.7 | Very high | 34 Ų | 34 | 89.3 Ų | 89.3 | 17% | 0.174 | 43% | 0.426 | C | S | . | . | | | trans | -108.5 | 109.8 | 173.4 | -65.1 | 166.1 | 0 | 0 | 0 | 108.8 | L116 D121 V124 R128 | L116-I119 HydrophobicContact CD1-CD1 4.29Å; L116-I119 PolarHBondContact O-N 3.41Å; I119-D121 WeakPolarHBondContact CG2-O 3.5Å; I119-V124 HydrophobicContact CD1-CG1 4.09Å; I119-V124 HydrophobicContact CG2-CB 4.09Å; I119-V124 HydrophobicContact CG2-CG1 3.9Å; I119-R128 HydrophobicContact CD1-CB 4.31Å; I119-R128 HydrophobicContact CD1-CG 4.45Å; I119-R128 VanDerWaalsContact CD1-NH1 3.29Å |
| 120 | D | 97 | Very high | 97.8 | Very high | 159 Ų | 159 | 91.5 Ų | 91.5 | 85% | 0.85 | 44% | 0.44 | S | S | * | . | | | trans | -86.5 | -23.3 | 177 | -57.9 | -48.1 | 0 | 0 | 0 | 113 | P122 | D120-P122 WeakPolarHBondContact O-CD 3.29Š|
| 121 | D | 98.4 | Very high | 97.8 | Very high | 74 Ų | 74 | 90.2 Ų | 90.2 | 40% | 0.396 | 44% | 0.442 | S | S | . | . | | | trans | -72.4 | 116.4 | 175.7 | 169.5 | 37.6 | 0 | 0 | 0 | 110.9 | I119 E123 V124 Y125 | I119-D121 WeakPolarHBondContact CG2-O 3.5Å; D121-E123 PolarHBondContact O-N 2.67Å; D121-E123 PolarHBondContact OD1-N 2.87Å; D121-V124 HydrophobicContact CB-CB 4.35Å; D121-V124 PolarHBondContact O-N 3.4Å; D121-V124 VanDerWaalsContact OD2-CB 3.23Å; D121-V124 WeakPolarHBondContact OD2-CB 3.31Å; D121-V124 WeakPolarHBondContact OD2-CG2 3.43Å; D121-V124 PolarHBondContact OD2-N 2.87Å; D121-Y125 VanDerWaalsContact O-CB 3.28Å; D121-Y125 WeakPolarHBondContact O-CB 3.37Å; D121-Y125 PolarHBondContact O-N 2.85Å |
| 122 | P | 97.9 | Very high | 97.8 | Very high | 101 Ų | 101 | 88 Ų | 88 | 66% | 0.656 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.1 | -28.9 | -177.6 | 25.5 | -35.8 | 0 | 0 | 0 | 113.5 | D120 L126 | D120-P122 WeakPolarHBondContact O-CD 3.29Å; P122-L126 WeakPolarHBondContact O-CB 3.42Å; P122-L126 PolarHBondContact O-N 3.12Å |
| 123 | E | 97.9 | Very high | 97.8 | Very high | 107 Ų | 107 | 90 Ų | 90 | 50% | 0.5 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -76 | -47.2 | -177.9 | -167.7 | 176.6 | 159.8 | 0 | 0 | 111.6 | D121 Y125 L126 R127 | D121-E123 PolarHBondContact O-N 2.67Å; D121-E123 PolarHBondContact OD1-N 2.87Å; E123-Y125 VanDerWaalsContact C-N 3.32Å; E123-L126 PolarHBondContact O-N 3.44Å; E123-R127 WeakPolarHBondContact O-CG 3.28Å; E123-R127 PolarHBondContact O-N 3.03Å; E123-R127 IonicContact OE1-CZ 2.85Å; E123-R127 IonicContact OE1-NE 3.94Å; E123-R127 IonicContact OE1-NH1 2.93Å; E123-R127 PolarHBondContact OE1-NH1 3.01Å; E123-R127 IonicContact OE1-NH2 3.12Å; E123-R127 PolarHBondContact OE1-NH2 3.03Å |
| 124 | V | 98.1 | Very high | 97.8 | Very high | 65 Ų | 65 | 90.4 Ų | 90.4 | 39% | 0.394 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.5 | -36.5 | 171.6 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | I119 D121 R127 R128 | I119-V124 HydrophobicContact CD1-CG1 4.09Å; I119-V124 HydrophobicContact CG2-CB 4.09Å; I119-V124 HydrophobicContact CG2-CG1 3.9Å; D121-V124 HydrophobicContact CB-CB 4.35Å; D121-V124 PolarHBondContact O-N 3.4Å; D121-V124 VanDerWaalsContact OD2-CB 3.23Å; D121-V124 WeakPolarHBondContact OD2-CB 3.31Å; D121-V124 WeakPolarHBondContact OD2-CG2 3.43Å; D121-V124 PolarHBondContact OD2-N 2.87Å; V124-R127 PolarHBondContact O-N 3.49Å; V124-R128 VanDerWaalsContact O-CB 3.28Å; V124-R128 WeakPolarHBondContact O-CB 3.43Å; V124-R128 PolarHBondContact O-N 3.26Å |
| 125 | Y | 98.4 | Very high | 97.8 | Very high | 109 Ų | 109 | 87.6 Ų | 87.6 | 43% | 0.427 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 174.2 | 179.2 | -85.6 | 0 | 0 | 0 | 111.2 | L116 D121 E123 R128 S129 | L116-Y125 HydrophobicContact CD1-CD2 3.76Å; L116-Y125 HydrophobicContact CD1-CE2 3.84Å; L116-Y125 HydrophobicContact CD1-CG 4.36Å; L116-Y125 HydrophobicContact CD2-CE2 4.12Å; L116-Y125 HydrophobicContact CG-CD2 4.09Å; L116-Y125 HydrophobicContact CG-CE2 3.69Å; D121-Y125 VanDerWaalsContact O-CB 3.28Å; D121-Y125 WeakPolarHBondContact O-CB 3.37Å; D121-Y125 PolarHBondContact O-N 2.85Å; E123-Y125 VanDerWaalsContact C-N 3.32Å; Y125-R128 PolarHBondContact O-N 3.32Å; Y125-S129 VanDerWaalsContact O-CB 3.28Å; Y125-S129 WeakPolarHBondContact O-CB 3.37Å; Y125-S129 PolarHBondContact O-N 3.35Å; Y125-S129 PolarHBondContact O-OG 3.43Å |
| 126 | L | 98.4 | Very high | 97.7 | Very high | 110 Ų | 110 | 84.8 Ų | 84.8 | 58% | 0.576 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.3 | -49.2 | 178.5 | -178.6 | 61.1 | 0 | 0 | 0 | 111.5 | P122 E123 R128 S129 V130 | P122-L126 WeakPolarHBondContact O-CB 3.42Å; P122-L126 PolarHBondContact O-N 3.12Å; E123-L126 PolarHBondContact O-N 3.44Å; L126-R128 VanDerWaalsContact C-N 3.29Å; L126-R128 PolarHBondContact O-N 2.92Å; L126-S129 WeakPolarHBondContact CA-OG 3.41Å; L126-S129 PolarHBondContact O-N 3.26Å; L126-S129 PolarHBondContact O-OG 3.02Å; L126-V130 HydrophobicContact CD1-CG2 4.24Å; L126-V130 VanDerWaalsContact O-CG2 3.31Å; L126-V130 WeakPolarHBondContact O-CG2 3.45Å; L126-V130 PolarHBondContact O-N 3.39Å |
| 127 | R | 98.4 | Very high | 97.6 | Very high | 154 Ų | 154 | 90.3 Ų | 90.3 | 58% | 0.581 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -54.5 | -45.7 | 176.9 | -75.1 | 171.6 | 172.4 | 157.2 | -1.7 | 111.7 | E123 V124 L131 | E123-R127 WeakPolarHBondContact O-CG 3.28Å; E123-R127 PolarHBondContact O-N 3.03Å; E123-R127 IonicContact OE1-CZ 2.85Å; E123-R127 IonicContact OE1-NE 3.94Å; E123-R127 IonicContact OE1-NH1 2.93Å; E123-R127 PolarHBondContact OE1-NH1 3.01Å; E123-R127 IonicContact OE1-NH2 3.12Å; E123-R127 PolarHBondContact OE1-NH2 3.03Å; V124-R127 PolarHBondContact O-N 3.49Å; R127-L131 WeakPolarHBondContact O-CG 3.46Å; R127-L131 PolarHBondContact O-N 2.78Å |
| 128 | R | 98.1 | Very high | 97.5 | Very high | 69 Ų | 69 | 88.8 Ų | 88.8 | 26% | 0.26 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -73.9 | -42.7 | -177.3 | -165.2 | -178.2 | -171.4 | -179.3 | 5.8 | 113.2 | K115 L116 I119 V124 Y125 L126 V130 L131 I132 | K115-R128 PolarHBondContact O-NH1 3.05Å; L116-R128 HydrophobicContact CD1-CB 4.04Å; L116-R128 HydrophobicContact CD1-CG 4.21Å; I119-R128 HydrophobicContact CD1-CB 4.31Å; I119-R128 HydrophobicContact CD1-CG 4.45Å; I119-R128 VanDerWaalsContact CD1-NH1 3.29Å; V124-R128 VanDerWaalsContact O-CB 3.28Å; V124-R128 WeakPolarHBondContact O-CB 3.43Å; V124-R128 PolarHBondContact O-N 3.26Å; Y125-R128 PolarHBondContact O-N 3.32Å; L126-R128 VanDerWaalsContact C-N 3.29Å; L126-R128 PolarHBondContact O-N 2.92Å; R128-V130 VanDerWaalsContact C-N 3.31Å; R128-V130 PolarHBondContact O-N 2.78Å; R128-L131 PolarHBondContact O-N 2.89Å; R128-I132 HydrophobicContact CG-CD1 3.96Å; R128-I132 WeakPolarHBondContact O-CG1 3.33Å; R128-I132 PolarHBondContact O-N 3.42Å |
| 129 | S | 98 | Very high | 97.3 | Very high | 28 Ų | 28 | 81.7 Ų | 81.7 | 20% | 0.196 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.6 | -35.5 | 177.4 | 56.4 | 0 | 0 | 0 | 0 | 112.4 | Y125 L126 I132 N133 | Y125-S129 VanDerWaalsContact O-CB 3.28Å; Y125-S129 WeakPolarHBondContact O-CB 3.37Å; Y125-S129 PolarHBondContact O-N 3.35Å; Y125-S129 PolarHBondContact O-OG 3.43Å; L126-S129 WeakPolarHBondContact CA-OG 3.41Å; L126-S129 PolarHBondContact O-N 3.26Å; L126-S129 PolarHBondContact O-OG 3.02Å; S129-I132 PolarHBondContact O-N 3.19Å; S129-N133 WeakPolarHBondContact O-CB 3.44Å; S129-N133 PolarHBondContact O-N 3.34Å |
| 130 | V | 98.4 | Very high | 96.9 | Very high | 69 Ų | 69 | 85.1 Ų | 85.1 | 42% | 0.418 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 171.5 | 169.9 | 0 | 0 | 0 | 0 | 111.9 | L126 R128 N133 N134 | L126-V130 HydrophobicContact CD1-CG2 4.24Å; L126-V130 VanDerWaalsContact O-CG2 3.31Å; L126-V130 WeakPolarHBondContact O-CG2 3.45Å; L126-V130 PolarHBondContact O-N 3.39Å; R128-V130 VanDerWaalsContact C-N 3.31Å; R128-V130 PolarHBondContact O-N 2.78Å; V130-N133 PolarHBondContact O-N 3.31Å; V130-N134 VanDerWaalsContact O-CG 3.3Å; V130-N134 PolarHBondContact O-N 3.42Å; V130-N134 PolarHBondContact O-ND2 3.48Å |
| 131 | L | 98.1 | Very high | 96.6 | Very high | 120 Ų | 120 | 79 Ų | 79 | 63% | 0.628 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.3 | -40.9 | 176.5 | -66.8 | 174.6 | 0 | 0 | 0 | 112.3 | R127 R128 N134 L135 | R127-L131 WeakPolarHBondContact O-CG 3.46Å; R127-L131 PolarHBondContact O-N 2.78Å; R128-L131 PolarHBondContact O-N 2.89Å; L131-N134 PolarHBondContact O-N 2.87Å; L131-L135 PolarHBondContact O-N 3.25Å |
| 132 | I | 98 | Very high | 96 | Very high | 11 Ų | 11 | 77.6 Ų | 77.6 | 6% | 0.056 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 174.3 | -73.5 | 168 | 0 | 0 | 0 | 111.1 | L109 S112 L113 L116 R128 S129 N134 L135 M136 | L109-I132 HydrophobicContact CD1-CG2 3.8Å; S112-I132 WeakPolarHBondContact O-CD1 3.33Å; L113-I132 HydrophobicContact CD2-CG2 3.64Å; L113-I132 HydrophobicContact CG-CG2 4.01Å; L116-I132 HydrophobicContact CB-CD1 4Å; L116-I132 HydrophobicContact CD1-CD1 4.19Å; L116-I132 HydrophobicContact CD2-CD1 3.96Å; L116-I132 HydrophobicContact CG-CD1 4.27Å; R128-I132 HydrophobicContact CG-CD1 3.96Å; R128-I132 WeakPolarHBondContact O-CG1 3.33Å; R128-I132 PolarHBondContact O-N 3.42Å; S129-I132 PolarHBondContact O-N 3.19Å; I132-N134 PolarHBondContact O-N 2.93Å; I132-L135 PolarHBondContact O-N 2.86Å; I132-M136 WeakPolarHBondContact O-CB 3.34Å; I132-M136 PolarHBondContact O-N 3.4Å |
| 133 | N | 97.9 | Very high | 95.4 | Very high | 67 Ų | 67 | 76.2 Ų | 76.2 | 36% | 0.358 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 176 | -172.7 | 11.2 | 0 | 0 | 0 | 111.8 | S129 V130 M136 K137 | S129-N133 WeakPolarHBondContact O-CB 3.44Å; S129-N133 PolarHBondContact O-N 3.34Å; V130-N133 PolarHBondContact O-N 3.31Å; N133-M136 PolarHBondContact O-N 3.28Å; N133-K137 WeakPolarHBondContact O-CB 3.28Å; N133-K137 WeakPolarHBondContact O-CG 3.35Å; N133-K137 PolarHBondContact O-N 2.81Å; N133-K137 WeakPolarHBondContact OD1-CE 3.38Å |
| 134 | N | 97.6 | Very high | 94.6 | Very high | 79 Ų | 79 | 76.3 Ų | 76.3 | 42% | 0.422 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 175.3 | -71.3 | -26.1 | 0 | 0 | 0 | 112.3 | V130 L131 I132 R138 | V130-N134 VanDerWaalsContact O-CG 3.3Å; V130-N134 PolarHBondContact O-N 3.42Å; V130-N134 PolarHBondContact O-ND2 3.48Å; L131-N134 PolarHBondContact O-N 2.87Å; I132-N134 PolarHBondContact O-N 2.93Å; N134-R138 WeakPolarHBondContact O-CB 3.43Å; N134-R138 PolarHBondContact O-N 2.93Å |
| 135 | L | 96.7 | Very high | 93.3 | Very high | 22 Ų | 22 | 78.8 Ų | 78.8 | 12% | 0.115 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.9 | -48.6 | 172.8 | 178.2 | 60.1 | 0 | 0 | 0 | 111.3 | R105 I108 L109 L131 I132 K137 R138 I139 | R105-L135 HydrophobicContact CB-CD1 4.25Å; R105-L135 HydrophobicContact CG-CD1 4.39Å; I108-L135 HydrophobicContact CB-CD2 4.45Å; I108-L135 HydrophobicContact CG2-CD2 3.89Å; L109-L135 HydrophobicContact CB-CD2 3.97Å; L109-L135 HydrophobicContact CB-CG 4.41Å; L109-L135 HydrophobicContact CD1-CD2 4.35Å; L109-L135 HydrophobicContact CD1-CG 4.46Å; L131-L135 PolarHBondContact O-N 3.25Å; I132-L135 PolarHBondContact O-N 2.86Å; L135-K137 PolarHBondContact O-N 3.41Å; L135-R138 WeakPolarHBondContact O-CB 3.28Å; L135-R138 PolarHBondContact O-N 3.06Å; L135-R138 VanDerWaalsContact O-N 3.17Å; L135-I139 HydrophobicContact CD1-CD1 3.85Å; L135-I139 HydrophobicContact CD1-CG1 4.19Å; L135-I139 HydrophobicContact CG-CD1 3.76Å; L135-I139 WeakPolarHBondContact O-CB 3.45Å; L135-I139 VanDerWaalsContact O-CG1 3.29Å; L135-I139 WeakPolarHBondContact O-CG1 3.37Å; L135-I139 PolarHBondContact O-N 3.43Å |
| 136 | M | 95.7 | Very high | 91.8 | Very high | 65 Ų | 65 | 76.6 Ų | 76.6 | 32% | 0.32 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -54.8 | -49.8 | 175.5 | 178.4 | -167.6 | -68.2 | 0 | 0 | 111.6 | L109 I132 N133 R138 I139 H140 | L109-M136 HydrophobicContact CD1-CB 4.11Å; L109-M136 HydrophobicContact CD2-CB 4.14Å; L109-M136 HydrophobicContact CD2-CG 4.41Å; I132-M136 WeakPolarHBondContact O-CB 3.34Å; I132-M136 PolarHBondContact O-N 3.4Å; N133-M136 PolarHBondContact O-N 3.28Å; M136-R138 VanDerWaalsContact C-N 3.33Å; M136-R138 PolarHBondContact O-N 3.11Å; M136-I139 PolarHBondContact O-N 3.01Å; M136-H140 PolarHBondContact O-CD2 2.9Å; M136-H140 VanDerWaalsContact O-CD2 3.26Å; M136-H140 PolarHBondContact O-N 3.11Å |
| 137 | K | 95.5 | Very high | 89.7 | Confident | 131 Ų | 131 | 77.5 Ų | 77.5 | 57% | 0.57 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.5 | -38.2 | 177.2 | -75.7 | 177.2 | 177.6 | -179.4 | 0 | 112.9 | N133 L135 G141 | N133-K137 WeakPolarHBondContact O-CB 3.28Å; N133-K137 WeakPolarHBondContact O-CG 3.35Å; N133-K137 PolarHBondContact O-N 2.81Å; N133-K137 WeakPolarHBondContact OD1-CE 3.38Å; L135-K137 PolarHBondContact O-N 3.41Å; K137-G141 PolarHBondContact O-N 3.02Å |
| 138 | R | 94 | Very high | 87.2 | Confident | 134 Ų | 134 | 75.8 Ų | 75.8 | 51% | 0.506 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.5 | -48.3 | 174.7 | -173.5 | -174.3 | -61.6 | 126.3 | -1 | 110.9 | N134 L135 M136 H140 G141 E142 | N134-R138 WeakPolarHBondContact O-CB 3.43Å; N134-R138 PolarHBondContact O-N 2.93Å; L135-R138 WeakPolarHBondContact O-CB 3.28Å; L135-R138 PolarHBondContact O-N 3.06Å; L135-R138 VanDerWaalsContact O-N 3.17Å; M136-R138 VanDerWaalsContact C-N 3.33Å; M136-R138 PolarHBondContact O-N 3.11Å; R138-H140 PolarHBondContact O-N 3.41Å; R138-G141 PolarHBondContact O-N 2.98Å; R138-E142 HydrophobicContact CG-CG 4.43Å; R138-E142 WeakPolarHBondContact CG-OE1 3.3Å; R138-E142 WeakPolarHBondContact O-CB 3.41Å; R138-E142 VanDerWaalsContact O-CG 3.25Å; R138-E142 WeakPolarHBondContact O-CG 3.22Å; R138-E142 PolarHBondContact O-N 3.21Å |
| 139 | I | 93.2 | Very high | 84.5 | Confident | 8 Ų | 8 | 81.8 Ų | 81.8 | 4% | 0.041 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58.1 | -46.4 | 177.4 | -71.2 | 168.2 | 0 | 0 | 0 | 110.8 | F102 R105 L109 L135 M136 E142 I143 | F102-I139 HydrophobicContact CD2-CG2 4.12Å; F102-I139 HydrophobicContact CE2-CG2 3.41Å; F102-I139 VanDerWaalsContact CE2-CG2 3.41Å; F102-I139 HydrophobicContact CZ-CG2 4.11Å; R105-I139 HydrophobicContact CB-CD1 3.94Å; R105-I139 HydrophobicContact CB-CG1 4Å; R105-I139 WeakPolarHBondContact O-CD1 3.39Å; L109-I139 HydrophobicContact CB-CD1 4.01Å; L109-I139 HydrophobicContact CD2-CD1 3.98Å; L135-I139 HydrophobicContact CD1-CD1 3.85Å; L135-I139 HydrophobicContact CD1-CG1 4.19Å; L135-I139 HydrophobicContact CG-CD1 3.76Å; L135-I139 WeakPolarHBondContact O-CB 3.45Å; L135-I139 VanDerWaalsContact O-CG1 3.29Å; L135-I139 WeakPolarHBondContact O-CG1 3.37Å; L135-I139 PolarHBondContact O-N 3.43Å; M136-I139 PolarHBondContact O-N 3.01Å; I139-E142 PolarHBondContact O-N 2.89Å; I139-I143 HydrophobicContact CG2-CD1 4.41Å; I139-I143 WeakPolarHBondContact O-CG1 3.02Å; I139-I143 PolarHBondContact O-N 3.37Å |
| 140 | H | 90.1 | Very high | 81.7 | Confident | 105 Ų | 105 | 85.9 Ų | 85.9 | 49% | 0.486 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 174.8 | -79.5 | -73.8 | 0 | 0 | 0 | 113.3 | M136 R138 E142 I143 I144 | M136-H140 PolarHBondContact O-CD2 2.9Å; M136-H140 VanDerWaalsContact O-CD2 3.26Å; M136-H140 PolarHBondContact O-N 3.11Å; R138-H140 PolarHBondContact O-N 3.41Å; H140-E142 VanDerWaalsContact C-N 3.26Å; H140-E142 PolarHBondContact O-N 3.48Å; H140-I143 PolarHBondContact O-N 3.41Å; H140-I144 WeakPolarHBondContact O-CD1 3.23Å; H140-I144 VanDerWaalsContact O-CG1 3.24Å; H140-I144 WeakPolarHBondContact O-CG1 3.09Å; H140-I144 PolarHBondContact O-N 3.05Å |
| 141 | G | 90.1 | Very high | 78.4 | Confident | 31 Ų | 31 | 90.3 Ų | 90.3 | 32% | 0.32 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.5 | -39.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | K137 R138 I144 M145 | K137-G141 PolarHBondContact O-N 3.02Å; R138-G141 PolarHBondContact O-N 2.98Å; G141-I144 PolarHBondContact O-N 2.61Å; G141-M145 WeakPolarHBondContact O-CB 3.39Å; G141-M145 WeakPolarHBondContact O-CG 3.41Å; G141-M145 PolarHBondContact O-N 3Å |
| 142 | E | 86.2 | Confident | 76.1 | Confident | 44 Ų | 44 | 90 Ų | 90 | 21% | 0.206 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -68.3 | -41.1 | 175.7 | -73.6 | 167.1 | 174.9 | 0 | 0 | 112.5 | R105 R138 I139 H140 I144 M145 Q146 | R105-E142 VanDerWaalsContact CZ-CD 3.5Å; R105-E142 IonicContact CZ-OE1 2.66Å; R105-E142 IonicContact CZ-OE2 2.96Å; R105-E142 IonicContact NE-OE2 2.61Å; R105-E142 VanDerWaalsContact NH1-CD 3.26Å; R105-E142 IonicContact NH1-OE1 3.73Å; R105-E142 PolarHBondContact NH1-OE1 3.47Å; R105-E142 IonicContact NH1-OE2 3.36Å; R105-E142 PolarHBondContact NH1-OE2 2.98Å; R105-E142 VanDerWaalsContact NH1-OE2 3.12Å; R105-E142 IonicContact NH2-OE1 3.21Å; R105-E142 IonicContact NH2-OE2 2.67Å; R105-E142 PolarHBondContact NH2-OE2 2.93Å; R138-E142 HydrophobicContact CG-CG 4.43Å; R138-E142 WeakPolarHBondContact CG-OE1 3.3Å; R138-E142 WeakPolarHBondContact O-CB 3.41Å; R138-E142 VanDerWaalsContact O-CG 3.25Å; R138-E142 WeakPolarHBondContact O-CG 3.22Å; R138-E142 PolarHBondContact O-N 3.21Å; I139-E142 PolarHBondContact O-N 2.89Å; H140-E142 VanDerWaalsContact C-N 3.26Å; H140-E142 PolarHBondContact O-N 3.48Å; E142-I144 VanDerWaalsContact C-N 3.33Å; E142-I144 PolarHBondContact O-N 3.23Å; E142-M145 PolarHBondContact O-N 2.9Å; E142-Q146 VanDerWaalsContact O-CB 3.27Å; E142-Q146 WeakPolarHBondContact O-CB 3.47Å; E142-Q146 WeakPolarHBondContact O-CG 3.47Å; E142-Q146 PolarHBondContact O-N 2.92Å |
| 143 | I | 83.8 | Confident | 73 | Confident | 72 Ų | 72 | 93.3 Ų | 93.3 | 37% | 0.369 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58 | -47.8 | 170.8 | -65.1 | 159.6 | 0 | 0 | 0 | 110.2 | F102 I139 H140 M145 Q146 N147 | F102-I143 HydrophobicContact CD2-CG1 4.12Å; F102-I143 HydrophobicContact CE2-CD1 3.52Å; F102-I143 HydrophobicContact CE2-CG1 3.32Å; F102-I143 HydrophobicContact CZ-CD1 3.74Å; F102-I143 HydrophobicContact CZ-CG1 3.84Å; I139-I143 HydrophobicContact CG2-CD1 4.41Å; I139-I143 WeakPolarHBondContact O-CG1 3.02Å; I139-I143 PolarHBondContact O-N 3.37Å; H140-I143 PolarHBondContact O-N 3.41Å; I143-M145 PolarHBondContact O-N 2.7Å; I143-Q146 PolarHBondContact O-N 3.42Å; I143-N147 WeakPolarHBondContact O-CB 3.28Å; I143-N147 PolarHBondContact O-N 3.28Å |
| 144 | I | 81.9 | Confident | 69.9 | Low | 109 Ų | 109 | 96.1 Ų | 96.1 | 56% | 0.559 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.4 | -39 | -177.6 | -66.1 | 162.6 | 0 | 0 | 0 | 110.8 | H140 G141 E142 N147 N148 | H140-I144 WeakPolarHBondContact O-CD1 3.23Å; H140-I144 VanDerWaalsContact O-CG1 3.24Å; H140-I144 WeakPolarHBondContact O-CG1 3.09Å; H140-I144 PolarHBondContact O-N 3.05Å; G141-I144 PolarHBondContact O-N 2.61Å; E142-I144 VanDerWaalsContact C-N 3.33Å; E142-I144 PolarHBondContact O-N 3.23Å; I144-N147 PolarHBondContact O-N 3.22Å; I144-N148 PolarHBondContact O-ND2 3.3Å |
| 145 | M | 71.8 | Confident | 67.1 | Low | 117 Ų | 117 | 98.3 Ų | 98.3 | 58% | 0.576 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71 | -42.4 | 176.2 | -67 | -115.8 | 66.5 | 0 | 0 | 111.8 | G141 E142 I143 N147 N148 W149 | G141-M145 WeakPolarHBondContact O-CB 3.39Å; G141-M145 WeakPolarHBondContact O-CG 3.41Å; G141-M145 PolarHBondContact O-N 3Å; E142-M145 PolarHBondContact O-N 2.9Å; I143-M145 PolarHBondContact O-N 2.7Å; M145-N147 VanDerWaalsContact C-N 3.27Å; M145-N147 PolarHBondContact O-N 3.25Å; M145-N148 WeakPolarHBondContact O-CB 3.4Å; M145-N148 PolarHBondContact O-N 3.22Å; M145-N148 VanDerWaalsContact O-N 3.07Å; M145-W149 PolarHBondContact O-N 3.02Å; M145-W149 VanDerWaalsContact O-N 3.12Å |
| 146 | Q | 65.7 | Low | 64 | Low | 64 Ų | 64 | 106.1 Ų | 106.1 | 30% | 0.299 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.3 | -22 | 174.2 | -71.7 | -173.5 | -13.6 | 0 | 0 | 113 | E142 I143 N148 W149 | E142-Q146 VanDerWaalsContact O-CB 3.27Å; E142-Q146 WeakPolarHBondContact O-CB 3.47Å; E142-Q146 WeakPolarHBondContact O-CG 3.47Å; E142-Q146 PolarHBondContact O-N 2.92Å; I143-Q146 PolarHBondContact O-N 3.42Å; Q146-N148 PolarHBondContact O-N 2.93Å; Q146-W149 CarbonylContact O-C 3.12Å; Q146-W149 PolarHBondContact O-N 2.69Å |
| 147 | N | 55.3 | Low | 61.2 | Low | 129 Ų | 129 | 110.4 Ų | 110.4 | 69% | 0.69 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.6 | -26.6 | 169.5 | -165.3 | -103.5 | 0 | 0 | 0 | 112.2 | I143 I144 M145 | I143-N147 WeakPolarHBondContact O-CB 3.28Å; I143-N147 PolarHBondContact O-N 3.28Å; I144-N147 PolarHBondContact O-N 3.22Å; M145-N147 VanDerWaalsContact C-N 3.27Å; M145-N147 PolarHBondContact O-N 3.25Å |
| 148 | N | 44.4 | Very low | 58.1 | Low | 117 Ų | 117 | 107.6 Ų | 107.6 | 63% | 0.626 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -89.5 | -18.8 | 173.4 | -68.7 | -85.8 | 0 | 0 | 0 | 113.1 | I144 M145 Q146 | I144-N148 PolarHBondContact O-ND2 3.3Å; M145-N148 WeakPolarHBondContact O-CB 3.4Å; M145-N148 PolarHBondContact O-N 3.22Å; M145-N148 VanDerWaalsContact O-N 3.07Å; Q146-N148 PolarHBondContact O-N 2.93Å |
| 149 | W | 41.7 | Very low | 55.4 | Low | 196 Ų | 196 | 107.6 Ų | 107.6 | 74% | 0.742 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -125.6 | 86.5 | 178.3 | -66.1 | 90.7 | 0 | 0 | 0 | 109.3 | M145 Q146 F151 | M145-W149 PolarHBondContact O-N 3.02Å; M145-W149 VanDerWaalsContact O-N 3.12Å; Q146-W149 CarbonylContact O-C 3.12Å; Q146-W149 PolarHBondContact O-N 2.69Å; W149-F151 PolarHBondContact O-N 3.28Å |
| 150 | C | 40.6 | Very low | 53 | Low | 113 Ų | 113 | 112.7 Ų | 112.7 | 76% | 0.764 | 64% | 0.642 | S | S | * | * | | | trans | -29.5 | 129.9 | -176.7 | -62.9 | 0 | 0 | 0 | 0 | 114.2 | P152 | C150-P152 VanDerWaalsContact O-CD 3.3Å; C150-P152 WeakPolarHBondContact O-CD 3.2Å |
| 151 | F | 29.1 | Very low | 50.3 | Low | 162 Ų | 162 | 111.7 Ų | 111.7 | 71% | 0.711 | 65% | 0.653 | S | S | * | * | | | trans | -32.3 | 108.7 | 172.9 | -67.4 | -85.2 | 0 | 0 | 0 | 112.9 | W149 A153 | W149-F151 PolarHBondContact O-N 3.28Å; F151-A153 PolarHBondContact O-N 3.18Å |
| 152 | P | 48.3 | Very low | 47.8 | Very low | 113 Ų | 113 | 119 Ų | 119 | 73% | 0.734 | 68% | 0.678 | S | S | * | * | | | trans | -80.5 | 113.9 | 173.9 | 30 | -29.6 | 0 | 0 | 0 | 109 | C150 | C150-P152 VanDerWaalsContact O-CD 3.3Å; C150-P152 WeakPolarHBondContact O-CD 3.2Å |
| 153 | A | 33.6 | Very low | 45.5 | Very low | 81 Ų | 81 | 124.5 Ų | 124.5 | 67% | 0.669 | 70% | 0.704 | S | S | * | * | | | trans | 95.8 | 126.1 | -167.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F151 | F151-A153 PolarHBondContact O-N 3.18Š|
| 154 | C | 32.8 | Very low | 43.4 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 85% | 0.851 | 73% | 0.726 | S | S | * | * | | | cis | -123.9 | 122.5 | 21.6 | -59.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 155 | S | 37.8 | Very low | 41.3 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | | | trans | -100.5 | 84.4 | 154.7 | -168.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 156 | F | 32.5 | Very low | 39.5 | Very low | 186 Ų | 186 | 137.4 Ų | 137.4 | 82% | 0.816 | 75% | 0.748 | S | S | * | * | | | trans | -129.7 | 131 | 168.5 | -168.8 | -98.1 | 0 | 0 | 0 | 108.2 | G158 | F156-G158 PolarHBondContact O-N 3.37Š|
| 157 | N | 36.2 | Very low | 38.2 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | | | trans | -63 | 107.5 | -164.7 | -61.8 | 28.5 | 0 | 0 | 0 | 111.7 | | |
| 158 | G | 31.8 | Very low | 37.3 | Very low | 72 Ų | 72 | 140.8 Ų | 140.8 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | | | trans | -151.2 | 126.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | F156 | F156-G158 PolarHBondContact O-N 3.37Š|
| 159 | T | 35.7 | Very low | 37.1 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | | | trans | -68.3 | 141.1 | -176.3 | 43.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 160 | S | 42.8 | Very low | 36.5 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | 54.8 | 106.6 | 162 | 59.1 | 0 | 0 | 0 | 0 | 118.8 | | |
| 161 | A | 34.6 | Very low | 36.9 | Very low | 85 Ų | 85 | 138.7 Ų | 138.7 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | | | trans | -138.5 | 47.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | E163 | A161-E163 PolarHBondContact O-N 3.29Š|
| 162 | Q | 37.4 | Very low | 37.5 | Very low | 183 Ų | 183 | 140.3 Ų | 140.3 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | -82 | 54.8 | 178 | -166.9 | 171 | -6.3 | 0 | 0 | 110.8 | | |
| 163 | E | 38.7 | Very low | 37.1 | Very low | 160 Ų | 160 | 146.1 Ų | 146.1 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | trans | -141.8 | 14.8 | -170.3 | -148.6 | 177 | 172.6 | 0 | 0 | 114.7 | A161 | A161-E163 PolarHBondContact O-N 3.29Š|
| 164 | W | 39.2 | Very low | 37.8 | Very low | 222 Ų | 222 | 150.6 Ų | 150.6 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -102.2 | -3.9 | 175.3 | -73.8 | 87.7 | 0 | 0 | 0 | 114.5 | | |
| 165 | F | 37.4 | Very low | 38.3 | Very low | 203 Ų | 203 | 155.3 Ų | 155.3 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | | | trans | -139.4 | 59.3 | 173.2 | -72.1 | -79.4 | 0 | 0 | 0 | 111.1 | A167 | F165-A167 VanDerWaalsContact C-N 3.35Å; F165-A167 PolarHBondContact O-N 3.24Å; F165-A167 VanDerWaalsContact O-N 3.11Å |
| 166 | M | 34.9 | Very low | 38.6 | Very low | 144 Ų | 144 | 155 Ų | 155 | 71% | 0.709 | 80% | 0.795 | S | S | * | * | | | trans | -69.1 | 101.6 | 153.1 | -75.8 | -62.1 | 156.9 | 0 | 0 | 107.5 | Q168 | M166-Q168 PolarHBondContact O-N 2.97Š|
| 167 | A | 37.8 | Very low | 39.5 | Very low | 94 Ų | 94 | 157.2 Ų | 157.2 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | | | trans | -63.2 | 107.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | F165 D169 | F165-A167 VanDerWaalsContact C-N 3.35Å; F165-A167 PolarHBondContact O-N 3.24Å; F165-A167 VanDerWaalsContact O-N 3.11Å; A167-D169 PolarHBondContact O-N 2.99Å |
| 168 | Q | 35.4 | Very low | 39.6 | Very low | 171 Ų | 171 | 158.5 Ų | 158.5 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | | | trans | -66.6 | 125.2 | 161.7 | -80.2 | -67.9 | -7.1 | 0 | 0 | 108.4 | M166 C170 | M166-Q168 PolarHBondContact O-N 2.97Å; Q168-C170 PolarHBondContact O-N 3.19Å |
| 169 | D | 40 | Very low | 40 | Very low | 154 Ų | 154 | 158.4 Ų | 158.4 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | | | trans | -56.2 | 108.5 | -176.8 | -87.7 | -61.1 | 0 | 0 | 0 | 111.4 | A167 | A167-D169 PolarHBondContact O-N 2.99Š|
| 170 | C | 29.9 | Very low | 40.6 | Very low | 103 Ų | 103 | 162.1 Ų | 162.1 | 70% | 0.696 | 80% | 0.798 | S | S | * | * | | | trans | -109.7 | 102.9 | 165 | -77.1 | 0 | 0 | 0 | 0 | 108.1 | Q168 Y172 | Q168-C170 PolarHBondContact O-N 3.19Å; C170-Y172 PolarHBondContact O-N 2.95Å |
| 171 | P | 49 | Very low | 40.4 | Very low | 124 Ų | 124 | 164.6 Ų | 164.6 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -63 | 138.5 | 174.9 | 27.5 | -32.9 | 0 | 0 | 0 | 108.9 | | |
| 172 | Y | 41.5 | Very low | 40.4 | Very low | 196 Ų | 196 | 169.2 Ų | 169.2 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | 79.7 | 61.1 | 172.1 | -139.4 | -88.9 | 0 | 0 | 0 | 118 | C170 | C170-Y172 PolarHBondContact O-N 2.95Š|
| 173 | R | 39.3 | Very low | 40.1 | Very low | 235 Ų | 235 | 164.9 Ų | 164.9 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | | | trans | -117.5 | 120.2 | 150.8 | -75.7 | -73.5 | 178.2 | 150.8 | -1.3 | 110.6 | R175 | R173-R175 PolarHBondContact O-N 2.97Š|
| 174 | K | 49.9 | Very low | 40 | Very low | 175 Ų | 175 | 165.3 Ų | 165.3 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | | | trans | -64.8 | 127.8 | 178.3 | -67.3 | -173.2 | 178.3 | -178.3 | 0 | 110 | P176 | K174-P176 WeakPolarHBondContact O-CD 3.14Š|
| 175 | R | 43.4 | Very low | 40.1 | Very low | 225 Ų | 225 | 162.3 Ų | 162.3 | 85% | 0.849 | 79% | 0.788 | S | S | * | * | | | trans | -61 | 118.6 | 177.2 | -168.7 | -179.7 | -157.6 | 139.9 | 2.5 | 110.4 | R173 R177 | R173-R175 PolarHBondContact O-N 2.97Å; R175-R177 PolarHBondContact O-N 3.29Å |
| 176 | P | 43.7 | Very low | 40.1 | Very low | 118 Ų | 118 | 161.4 Ų | 161.4 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | trans | -67.1 | 114.9 | 168.2 | -11.1 | 26.5 | 0 | 0 | 0 | 107.8 | K174 | K174-P176 WeakPolarHBondContact O-CD 3.14Š|
| 177 | R | 50.2 | Low | 40.1 | Very low | 234 Ų | 234 | 162.4 Ų | 162.4 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | -89 | 105.4 | 161.9 | -69.2 | -175.7 | -177 | 155.7 | -0.2 | 106.2 | R175 A179 | R175-R177 PolarHBondContact O-N 3.29Å; R177-A179 PolarHBondContact O-N 3.29Å |
| 178 | M | 38.2 | Very low | 40.1 | Very low | 182 Ų | 182 | 162.5 Ų | 162.5 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | | | trans | -69.3 | 120.5 | 164.6 | -74.4 | -163 | 163.4 | 0 | 0 | 108.1 | | |
| 179 | A | 40.6 | Very low | 39.8 | Very low | 71 Ų | 71 | 159.2 Ų | 159.2 | 59% | 0.587 | 78% | 0.782 | S | S | * | * | | | trans | -66 | 134.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | R177 E181 | R177-A179 PolarHBondContact O-N 3.29Å; A179-E181 VanDerWaalsContact C-N 3.29Å; A179-E181 HydrophobicContact CB-CG 4.31Å; A179-E181 PolarHBondContact O-N 3.01Å |
| 180 | K | 47.6 | Very low | 39.5 | Very low | 211 Ų | 211 | 157.3 Ų | 157.3 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | | | trans | -76.5 | 87.6 | 172.8 | -178.5 | -164.6 | 171.8 | -170 | 0 | 107.7 | | |
| 181 | E | 39.9 | Very low | 39.5 | Very low | 166 Ų | 166 | 161.5 Ų | 161.5 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | trans | -89.2 | 141.3 | 170.3 | -67 | 178.1 | -130.3 | 0 | 0 | 109.6 | A179 C183 | A179-E181 VanDerWaalsContact C-N 3.29Å; A179-E181 HydrophobicContact CB-CG 4.31Å; A179-E181 PolarHBondContact O-N 3.01Å; E181-C183 PolarHBondContact O-N 2.66Å |
| 182 | E | 34.3 | Very low | 38.9 | Very low | 183 Ų | 183 | 166.3 Ų | 166.3 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | trans | -77 | 109.3 | -162.8 | -174.2 | 163.2 | -151.7 | 0 | 0 | 111.3 | E184 | E182-E184 PolarHBondContact O-N 3.4Å; E182-E184 VanDerWaalsContact O-N 3.13Å |
| 183 | C | 31.9 | Very low | 38.9 | Very low | 92 Ų | 92 | 164.8 Ų | 164.8 | 62% | 0.622 | 79% | 0.79 | S | S | * | * | | | trans | -84.7 | 87.6 | 176.5 | -164.8 | 0 | 0 | 0 | 0 | 110.5 | E181 K185 F186 | E181-C183 PolarHBondContact O-N 2.66Å; C183-K185 PolarHBondContact O-N 3.05Å; C183-F186 WeakPolarHBondContact SG-CE2 3.49Å |
| 184 | E | 35.9 | Very low | 38.9 | Very low | 168 Ų | 168 | 161.9 Ų | 161.9 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -71.4 | 114.1 | 175.8 | -163.2 | 174.6 | 172.6 | 0 | 0 | 110.8 | E182 | E182-E184 PolarHBondContact O-N 3.4Å; E182-E184 VanDerWaalsContact O-N 3.13Å |
| 185 | K | 40.9 | Very low | 38.3 | Very low | 160 Ų | 160 | 158.4 Ų | 158.4 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | | | trans | 68.2 | 71.8 | 152.8 | -159.1 | 175.2 | -172.9 | 174.1 | 0 | 117.9 | C183 | C183-K185 PolarHBondContact O-N 3.05Š|
| 186 | F | 38.6 | Very low | 38.2 | Very low | 183 Ų | 183 | 150.6 Ų | 150.6 | 80% | 0.803 | 77% | 0.773 | S | S | * | * | | | trans | -75.6 | 125.3 | 151.6 | -73.3 | -61 | 0 | 0 | 0 | 111 | C183 | C183-F186 WeakPolarHBondContact SG-CE2 3.49Š|
| 187 | H | 33.9 | Very low | 38 | Very low | 165 Ų | 165 | 148.3 Ų | 148.3 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | | | trans | -66.4 | 130.9 | 176.7 | -89.4 | -114 | 0 | 0 | 0 | 111.4 | C189 | H187-C189 PolarHBondContact O-N 2.87Š|
| 188 | A | 37.4 | Very low | 37.5 | Very low | 96 Ų | 96 | 145.6 Ų | 145.6 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | | | trans | -67 | 114.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 189 | C | 30 | Very low | 37.8 | Very low | 102 Ų | 102 | 147.1 Ų | 147.1 | 69% | 0.689 | 77% | 0.765 | S | S | * | * | | | trans | -90.3 | 111.8 | 164 | -172.7 | 0 | 0 | 0 | 0 | 108.4 | H187 F191 | H187-C189 PolarHBondContact O-N 2.87Å; C189-F191 PolarHBondContact O-N 3.18Å; C189-F191 VanDerWaalsContact O-N 3.14Å |
| 190 | C | 32.9 | Very low | 37.9 | Very low | 115 Ų | 115 | 151.1 Ų | 151.1 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | | | trans | -69.8 | 106.8 | -179.7 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 191 | F | 29.7 | Very low | 37.6 | Very low | 191 Ų | 191 | 148.6 Ų | 148.6 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | trans | -81.5 | 114.5 | 159.4 | -74.6 | -77.5 | 0 | 0 | 0 | 109 | C189 Q193 | C189-F191 PolarHBondContact O-N 3.18Å; C189-F191 VanDerWaalsContact O-N 3.14Å; F191-Q193 PolarHBondContact O-N 2.85Å; F191-Q193 VanDerWaalsContact O-N 3.12Å |
| 192 | Y | 36.6 | Very low | 37.6 | Very low | 225 Ų | 225 | 146.2 Ų | 146.2 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | | | trans | -76.4 | 94.9 | 175.9 | -139.9 | -96.8 | 0 | 0 | 0 | 108.5 | E194 | Y192-E194 PolarHBondContact O-N 3.09Š|
| 193 | Q | 41.1 | Very low | 38 | Very low | 163 Ų | 163 | 143 Ų | 143 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | trans | -75.3 | 101.9 | 169.3 | -177.5 | 84.6 | 49.1 | 0 | 0 | 107.9 | F191 C195 | F191-Q193 PolarHBondContact O-N 2.85Å; F191-Q193 VanDerWaalsContact O-N 3.12Å; Q193-C195 PolarHBondContact O-N 2.93Å |
| 194 | E | 40.6 | Very low | 38.2 | Very low | 175 Ų | 175 | 146.2 Ų | 146.2 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -73 | 79.4 | 174.3 | -168.5 | 171.8 | -169.3 | 0 | 0 | 110.3 | Y192 G196 | Y192-E194 PolarHBondContact O-N 3.09Å; E194-G196 PolarHBondContact O-N 3.15Å |
| 195 | C | 37.3 | Very low | 38.2 | Very low | 102 Ų | 102 | 143.8 Ų | 143.8 | 69% | 0.689 | 78% | 0.775 | S | S | * | * | | | trans | -76.4 | 118.3 | 167.3 | -78.4 | 0 | 0 | 0 | 0 | 109.3 | Q193 | Q193-C195 PolarHBondContact O-N 2.93Š|
| 196 | G | 40.7 | Very low | 38 | Very low | 61 Ų | 61 | 141.6 Ų | 141.6 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | | | trans | -51.3 | 138.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | E194 H198 | E194-G196 PolarHBondContact O-N 3.15Å; G196-H198 PolarHBondContact O-N 3.09Å |
| 197 | G | 40.5 | Very low | 37.9 | Very low | 69 Ų | 69 | 140.8 Ų | 140.8 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | trans | -64.3 | 102.1 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 198 | H | 39.2 | Very low | 38 | Very low | 178 Ų | 178 | 137.1 Ų | 137.1 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | trans | -103.4 | 108.1 | 154.8 | -69.6 | -66 | 0 | 0 | 0 | 109 | G196 L200 | G196-H198 PolarHBondContact O-N 3.09Å; H198-L200 PolarHBondContact O-N 3.01Å |
| 199 | Y | 44.5 | Very low | 37.7 | Very low | 214 Ų | 214 | 139.7 Ų | 139.7 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | | | trans | -64.4 | 103.7 | 179.7 | -76 | -95.8 | 0 | 0 | 0 | 111.1 | | |
| 200 | L | 42.6 | Very low | 37.9 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | | | trans | -114.7 | 104.8 | 159.7 | -69.2 | 176.8 | 0 | 0 | 0 | 108.4 | H198 V202 | H198-L200 PolarHBondContact O-N 3.01Å; L200-V202 PolarHBondContact O-N 3.22Å; L200-V202 VanDerWaalsContact O-N 3.1Å |
| 201 | N | 40.4 | Very low | 38 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | | | trans | -64.4 | 106.8 | 166.9 | -90.8 | -87.5 | 0 | 0 | 0 | 108.2 | | |
| 202 | V | 40.4 | Very low | 38.1 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 70% | 0.703 | 79% | 0.785 | S | S | * | * | | | trans | -97.4 | 120.4 | 167.1 | -173.5 | 0 | 0 | 0 | 0 | 107.2 | L200 L204 | L200-V202 PolarHBondContact O-N 3.22Å; L200-V202 VanDerWaalsContact O-N 3.1Å; V202-L204 PolarHBondContact O-N 2.98Å |
| 203 | P | 43.3 | Very low | 37.9 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | | | trans | -69.2 | 127.8 | -178.3 | 27.3 | -33.3 | 0 | 0 | 0 | 110.5 | S205 | P203-S205 PolarHBondContact O-N 3.1Š|
| 204 | L | 35.9 | Very low | 37.6 | Very low | 159 Ų | 159 | 127 Ų | 127 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | -68.9 | 110.4 | 169.4 | -76.3 | 89.9 | 0 | 0 | 0 | 109.5 | V202 V206 | V202-L204 PolarHBondContact O-N 2.98Å; L204-V206 PolarHBondContact O-N 3.43Å; L204-V206 VanDerWaalsContact O-N 3.11Å |
| 205 | S | 36.8 | Very low | 37.2 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -77.6 | 87.1 | 166.8 | 43.1 | 0 | 0 | 0 | 0 | 110.5 | P203 N207 | P203-S205 PolarHBondContact O-N 3.1Å; S205-N207 PolarHBondContact O-N 3.05Å |
| 206 | V | 35.9 | Very low | 37 | Very low | 113 Ų | 113 | 125 Ų | 125 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | | | trans | -77.3 | 108.1 | 168.2 | 175.4 | 0 | 0 | 0 | 0 | 109.3 | L204 A208 | L204-V206 PolarHBondContact O-N 3.43Å; L204-V206 VanDerWaalsContact O-N 3.11Å; V206-A208 HydrophobicContact CG1-CB 4.13Å; V206-A208 PolarHBondContact O-N 2.76Å |
| 207 | N | 35.9 | Very low | 36.7 | Very low | 166 Ų | 166 | 126.5 Ų | 126.5 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | | | trans | -75 | 105.1 | 161.7 | -82.8 | -2.6 | 0 | 0 | 0 | 108.9 | S205 | S205-N207 PolarHBondContact O-N 3.05Š|
| 208 | A | 35.9 | Very low | 36.3 | Very low | 88 Ų | 88 | 129 Ų | 129 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -122.9 | 123.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | V206 | V206-A208 HydrophobicContact CG1-CB 4.13Å; V206-A208 PolarHBondContact O-N 2.76Å |
| 209 | N | 31.4 | Very low | 36 | Very low | 150 Ų | 150 | 126 Ų | 126 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | trans | -106.3 | 116.6 | -174.2 | -178.7 | 78.3 | 0 | 0 | 0 | 111.2 | | |
| 210 | V | 35.1 | Very low | 36.8 | Very low | 135 Ų | 135 | 121.2 Ų | 121.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | 57 | 118 | 155.9 | -178 | 0 | 0 | 0 | 0 | 118.7 | | |
| 211 | G | 33.5 | Very low | 36.3 | Very low | 77 Ų | 77 | 119 Ų | 119 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | trans | 174.5 | 120.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 212 | S | 32.7 | Very low | 35.8 | Very low | 123 Ų | 123 | 117.5 Ų | 117.5 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | -87.6 | 156.8 | -161.4 | -58.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 213 | A | 33 | Very low | 35.4 | Very low | 86 Ų | 86 | 116.8 Ų | 116.8 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | 85.8 | 98.2 | 141.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 214 | S | 35 | Very low | 34.8 | Very low | 109 Ų | 109 | 116 Ų | 116 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | | | | 88.1 | 129.2 | 115 | -56.6 | 0 | 0 | 0 | 0 | 123.3 | | |
| 215 | T | 31.8 | Very low | 34.5 | Very low | 140 Ų | 140 | 113.7 Ų | 113.7 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | | | trans | 93.3 | 115.5 | 153.8 | 63.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 216 | A | 32.6 | Very low | 34.2 | Very low | 96 Ų | 96 | 112.9 Ų | 112.9 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | | | trans | 72.2 | 107 | 132.5 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 217 | A | 34 | Very low | 34.2 | Very low | 92 Ų | 92 | 112.8 Ų | 112.8 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | | | | 78.2 | 126.2 | 121.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 218 | S | 32.1 | Very low | 34 | Very low | 121 Ų | 121 | 110.3 Ų | 110.3 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | 78.3 | 122.9 | 141.9 | -57 | 0 | 0 | 0 | 0 | 121.7 | | |
| 219 | S | 33.2 | Very low | 33.9 | Very low | 114 Ų | 114 | 110.9 Ų | 110.9 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | -77 | -173.7 | 166.8 | -36.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 220 | P | 61.4 | Low | 34 | Very low | 114 Ų | 114 | 109.2 Ų | 109.2 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | | | | -128.1 | 177.3 | -53.7 | 33.9 | -17.2 | 0 | 0 | 0 | 112.2 | | |
| 221 | S | 31.3 | Very low | 33.9 | Very low | 108 Ų | 108 | 108.1 Ų | 108.1 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | 155.9 | 139.7 | 130.1 | 59.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 222 | V | 31.1 | Very low | 33.9 | Very low | 127 Ų | 127 | 110.1 Ų | 110.1 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | | | trans | 42 | 127.6 | 146.7 | -51.9 | 0 | 0 | 0 | 0 | 125.9 | | |
| 223 | S | 31.1 | Very low | 34.1 | Very low | 101 Ų | 101 | 109.7 Ų | 109.7 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | | 75.1 | 121.9 | 128.3 | 64.3 | 0 | 0 | 0 | 0 | 125.1 | | |
| 224 | S | 30.6 | Very low | 35.2 | Very low | 99 Ų | 99 | 110.7 Ų | 110.7 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | | 80.2 | 126.3 | 127.4 | 63.5 | 0 | 0 | 0 | 0 | 123.8 | | |
| 225 | S | 29.8 | Very low | 35 | Very low | 110 Ų | 110 | 113.1 Ų | 113.1 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | 62.7 | 148.7 | 146.7 | 42.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 226 | S | 31.9 | Very low | 35 | Very low | 102 Ų | 102 | 111.9 Ų | 111.9 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | cis | -169.6 | 155.7 | -0.1 | 37.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 227 | S | 34 | Very low | 35.4 | Very low | 110 Ų | 110 | 115.3 Ų | 115.3 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | 45.1 | 111.6 | 146.4 | -49.8 | 0 | 0 | 0 | 0 | 122.4 | | |
| 228 | S | 33.5 | Very low | 35.9 | Very low | 115 Ų | 115 | 117.1 Ų | 117.1 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | 172 | 165.5 | 132.5 | -87.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 229 | S | 33.1 | Very low | 35.8 | Very low | 100 Ų | 100 | 116.7 Ų | 116.7 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | | | cis | -171.7 | 155.6 | -32 | -87.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 230 | S | 32.5 | Very low | 35.8 | Very low | 114 Ų | 114 | 117.5 Ų | 117.5 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | trans | 66.6 | 123 | 153.3 | -57.8 | 0 | 0 | 0 | 0 | 123.7 | | |
| 231 | S | 33 | Very low | 34.6 | Very low | 112 Ų | 112 | 116.8 Ų | 116.8 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | | | | 112.2 | 131.2 | 125.9 | 73.1 | 0 | 0 | 0 | 0 | 123.4 | | |
| 232 | S | 34.3 | Very low | 34.9 | Very low | 119 Ų | 119 | 120.9 Ų | 120.9 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | 76.9 | 127.2 | 152.1 | 27.4 | 0 | 0 | 0 | 0 | 124.4 | | |
| 233 | S | 36.2 | Very low | 35 | Very low | 114 Ų | 114 | 122.8 Ų | 122.8 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | -75 | -165.6 | 179.4 | -32.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 234 | P | 55.7 | Low | 35.4 | Very low | 108 Ų | 108 | 125.2 Ų | 125.2 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | | | | -133.6 | -159.1 | -62.3 | 35.6 | -14 | 0 | 0 | 0 | 113.5 | | |
| 235 | L | 32.4 | Very low | 35.5 | Very low | 159 Ų | 159 | 126.8 Ų | 126.8 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | 82.9 | 150.6 | 171.4 | -42.3 | 176.9 | 0 | 0 | 0 | 115.4 | | |
| 236 | S | 32.2 | Very low | 36 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | cis | -147.9 | 162 | 17.3 | -60.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 237 | L | 41 | Very low | 36.3 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | | | trans | -78.6 | 156.6 | 164.5 | -68.2 | 159.6 | 0 | 0 | 0 | 112 | | |
| 238 | P | 42.6 | Very low | 36.5 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | | | trans | -91.3 | 130.6 | 156.9 | 33.9 | -27.7 | 0 | 0 | 0 | 111.3 | | |
| 239 | S | 31.1 | Very low | 36.4 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | -119.8 | 136.7 | 162.8 | 174.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 240 | C | 32.7 | Very low | 36.5 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | | | trans | -156.9 | 130.8 | 155.6 | -108.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 241 | S | 37.1 | Very low | 36.6 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | | | trans | -97.1 | 147.2 | 173.7 | 170.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 242 | H | 37.8 | Very low | 37.3 | Very low | 195 Ų | 195 | 132.7 Ų | 132.7 | 90% | 0.903 | 81% | 0.805 | S | S | * | * | | | trans | -141.5 | 137.3 | 150.4 | -96.5 | -64.8 | 0 | 0 | 0 | 111.9 | | |
| 243 | Q | 33 | Very low | 37.4 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | -107.3 | 133.1 | -175.3 | 166.4 | -166.8 | 56 | 0 | 0 | 108.4 | | |
| 244 | V | 38.8 | Very low | 37.3 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | | | trans | -142 | 134.6 | 151.2 | -76.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 245 | D | 33.1 | Very low | 36.3 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | trans | -126.2 | 138.6 | -176.3 | -155.7 | -36.4 | 0 | 0 | 0 | 107.4 | | |
| 246 | F | 40.9 | Very low | 36.4 | Very low | 213 Ų | 213 | 138.3 Ų | 138.3 | 93% | 0.934 | 80% | 0.803 | S | S | * | * | | | trans | -154.3 | 136 | 164.7 | -117.5 | -76.6 | 0 | 0 | 0 | 110.6 | | |
| 247 | D | 37.1 | Very low | 36.6 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | | | trans | -97.2 | -174.3 | -154.9 | -156.9 | -31.3 | 0 | 0 | 0 | 112.9 | | |
| 248 | V | 37.7 | Very low | 36.3 | Very low | 131 Ų | 131 | 136 Ų | 136 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | 99.3 | 82.7 | 157.9 | -163 | 0 | 0 | 0 | 0 | 117 | | |
| 249 | G | 32.4 | Very low | 36.1 | Very low | 64 Ų | 64 | 139 Ų | 139 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | | | | 101 | 103.6 | 101.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 250 | S | 35.7 | Very low | 36.6 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 92% | 0.923 | 80% | 0.803 | S | S | * | * | | | | -177.4 | 129.7 | 119 | -79 | 0 | 0 | 0 | 0 | 112.4 | | |
| 251 | A | 34 | Very low | 37.1 | Very low | 91 Ų | 91 | 140 Ų | 140 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | trans | -91.5 | -169.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 252 | P | 47.8 | Very low | 37.1 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | | | cis | -127.1 | 160.7 | 4.7 | 12.1 | 16.3 | 0 | 0 | 0 | 115.4 | | |
| 253 | V | 35.9 | Very low | 36.9 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | | 53.1 | 122.7 | 90.1 | -164.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 254 | Y | 33.7 | Very low | 37.2 | Very low | 208 Ų | 208 | 136.3 Ų | 136.3 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | | | | -157.5 | 175.9 | 57.2 | -173 | -111.9 | 0 | 0 | 0 | 114.4 | | |
| 255 | K | 35.9 | Very low | 37.2 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | | | trans | -85.7 | 166.2 | -175.3 | -52.6 | -171.1 | 174 | -165 | 0 | 114.5 | | |
| 256 | S | 34 | Very low | 37.5 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | | | | -170.1 | 141.9 | 116.2 | -171.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 257 | D | 36.9 | Very low | 37.2 | Very low | 159 Ų | 159 | 137 Ų | 137 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | | | trans | -65.2 | 160 | 169 | -78.1 | -72.7 | 0 | 0 | 0 | 113.5 | | |
| 258 | G | 35 | Very low | 37.1 | Very low | 76 Ų | 76 | 136.4 Ų | 136.4 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | | | trans | -174.3 | 105.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 259 | Q | 36.9 | Very low | 36.8 | Very low | 191 Ų | 191 | 137.9 Ų | 137.9 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | trans | -51 | 156.5 | -170.9 | -63.5 | 174.6 | -1.2 | 0 | 0 | 118.9 | | |
| 260 | I | 41.8 | Very low | 37 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | trans | -69.9 | 141.9 | 165 | -59 | 160.7 | 0 | 0 | 0 | 110.7 | A262 | I260-A262 HydrophobicContact CG2-CB 4.46Š|
| 261 | P | 42.6 | Very low | 36.7 | Very low | 113 Ų | 113 | 147 Ų | 147 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | | | trans | -120.8 | 150.3 | 130.1 | 0.5 | 20.2 | 0 | 0 | 0 | 111.9 | | |
| 262 | A | 38.3 | Very low | 36.9 | Very low | 93 Ų | 93 | 147.8 Ų | 147.8 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | -111.8 | 108.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112 | I260 | I260-A262 HydrophobicContact CG2-CB 4.46Š|
| 263 | N | 34.5 | Very low | 36.2 | Very low | 121 Ų | 121 | 151 Ų | 151 | 65% | 0.647 | 82% | 0.816 | S | S | * | * | | | trans | -164.1 | 153.6 | 161.1 | 47.2 | -57.7 | 0 | 0 | 0 | 111.4 | | |
| 264 | E | 37.2 | Very low | 36 | Very low | 168 Ų | 168 | 148 Ų | 148 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | 67.5 | 89.9 | 164.1 | -67.2 | 157.5 | -121.6 | 0 | 0 | 119.1 | | |
| 265 | I | 39.8 | Very low | 35.9 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 86% | 0.862 | 82% | 0.816 | S | S | * | * | | | trans | -129.5 | 88.2 | 146.5 | -52 | 178.9 | 0 | 0 | 0 | 109.4 | | |
| 266 | F | 39 | Very low | 35.9 | Very low | 201 Ų | 201 | 145.7 Ų | 145.7 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | | | trans | -134.4 | 159.9 | 155.6 | -81.6 | -73.1 | 0 | 0 | 0 | 108.4 | | |
| 267 | V | 34.3 | Very low | 35.8 | Very low | 143 Ų | 143 | 149 Ų | 149 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | | | trans | 80.4 | 100 | 175.4 | -166.8 | 0 | 0 | 0 | 0 | 116 | | |
| 268 | T | 36.2 | Very low | 35.7 | Very low | 131 Ų | 131 | 150.1 Ų | 150.1 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | trans | -85.2 | 125.7 | 165.1 | 46.2 | 0 | 0 | 0 | 0 | 112 | | |
| 269 | N | 30.9 | Very low | 35.6 | Very low | 162 Ų | 162 | 151.2 Ų | 151.2 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | | | trans | 33 | 116.5 | 150.8 | -84.1 | -41.9 | 0 | 0 | 0 | 121 | | |
| 270 | V | 36.1 | Very low | 35.5 | Very low | 145 Ų | 145 | 152 Ų | 152 | 88% | 0.879 | 82% | 0.822 | S | S | * | * | | | trans | -136.8 | 114.2 | 144.7 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 271 | R | 30.5 | Very low | 35 | Very low | 243 Ų | 243 | 152.9 Ų | 152.9 | 92% | 0.917 | 83% | 0.828 | S | S | * | * | | | trans | -153.9 | 139.3 | 149.4 | -159.2 | 160.8 | -170.2 | 139.7 | 4 | 112.7 | | |
| 272 | S | 36.9 | Very low | 34.5 | Very low | 107 Ų | 107 | 155.1 Ų | 155.1 | 75% | 0.748 | 83% | 0.834 | S | S | * | * | | | trans | -82.7 | 158.8 | -171.5 | -27.1 | 0 | 0 | 0 | 0 | 114 | | |
| 273 | L | 32.8 | Very low | 34.4 | Very low | 179 Ų | 179 | 159.7 Ų | 159.7 | 94% | 0.937 | 84% | 0.839 | S | S | * | * | | | trans | -147.3 | 136.6 | 144.4 | -157.2 | 71.3 | 0 | 0 | 0 | 108.4 | | |
| 274 | G | 32.9 | Very low | 34.4 | Very low | 66 Ų | 66 | 163.2 Ų | 163.2 | 68% | 0.68 | 85% | 0.852 | S | S | * | * | | | trans | -131.4 | 172.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 275 | V | 31.1 | Very low | 34.5 | Very low | 151 Ų | 151 | 164.6 Ų | 164.6 | 92% | 0.915 | 86% | 0.855 | S | S | * | * | | | trans | -172.7 | 149.5 | 155.7 | 138.4 | 0 | 0 | 0 | 0 | 108 | | |
| 276 | Q | 36.5 | Very low | 34.1 | Very low | 173 Ų | 173 | 160 Ų | 160 | 81% | 0.808 | 84% | 0.842 | S | S | * | * | | | trans | -80.6 | 160 | -179.1 | -55.2 | -179.4 | 9.6 | 0 | 0 | 113 | | |
| 277 | E | 31 | Very low | 33.7 | Very low | 187 Ų | 187 | 157.2 Ų | 157.2 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | | | | -149.5 | 162.7 | 123 | -135.7 | -178 | 138.4 | 0 | 0 | 114.1 | | |
| 278 | K | 34.9 | Very low | 33.5 | Very low | 181 Ų | 181 | 156.9 Ų | 156.9 | 79% | 0.787 | 83% | 0.83 | S | S | * | * | | | trans | -69.4 | 153.4 | -153 | -64.5 | 173.1 | 174.1 | 176.2 | 0 | 118 | | |
| 279 | A | 32.6 | Very low | 33.4 | Very low | 100 Ų | 100 | 156.2 Ų | 156.2 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | | | trans | -85.9 | 157.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 280 | K | 36.2 | Very low | 33.6 | Very low | 207 Ų | 207 | 154 Ų | 154 | 90% | 0.9 | 81% | 0.814 | S | S | * | * | | | trans | -142.2 | 113.6 | 167.4 | -164.9 | -179.7 | -175.7 | -172.6 | 0 | 109.1 | | |
| 281 | L | 31.7 | Very low | 33.4 | Very low | 171 Ų | 171 | 153.5 Ų | 153.5 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | | | trans | -93.2 | 150.6 | 173.1 | -70.5 | 166.7 | 0 | 0 | 0 | 109.8 | | |
| 282 | N | 31 | Very low | 33.8 | Very low | 160 Ų | 160 | 151.9 Ų | 151.9 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | | | trans | -125.4 | 142.2 | 159.3 | 65.2 | -37 | 0 | 0 | 0 | 110 | | |
| 283 | E | 35.3 | Very low | 33.5 | Very low | 190 Ų | 190 | 152.8 Ų | 152.8 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | | | trans | -127.3 | 122.4 | 175.4 | 177.6 | -175 | 178.5 | 0 | 0 | 106 | | |
| 284 | E | 36.5 | Very low | 33.5 | Very low | 195 Ų | 195 | 147.6 Ų | 147.6 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | | | trans | -148.7 | 167.1 | 162 | -162.4 | 153.8 | 92.1 | 0 | 0 | 110 | | |
| 285 | K | 38 | Very low | 33.4 | Very low | 196 Ų | 196 | 148 Ų | 148 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | | | trans | -137.2 | 162.3 | -140.9 | 179.5 | -172.9 | 174.7 | -179.1 | 0 | 110.8 | | |
| 286 | A | 30.7 | Very low | 34.1 | Very low | 71 Ų | 71 | 146.9 Ų | 146.9 | 59% | 0.587 | 79% | 0.786 | S | S | * | * | | | trans | 94.9 | 111 | 153.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 287 | N | 30.7 | Very low | 34 | Very low | 144 Ų | 144 | 147 Ų | 147 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | | | | 77.5 | 148.9 | 117.5 | -66.1 | -2.3 | 0 | 0 | 0 | 123.4 | | |
| 288 | N | 31.3 | Very low | 34.1 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | | | trans | 75.1 | 144.3 | 155.6 | -71.5 | 18.9 | 0 | 0 | 0 | 117.8 | | |
| 289 | D | 33.1 | Very low | 34 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 63% | 0.631 | 79% | 0.787 | S | S | * | * | | | cis | -165.1 | 156.9 | -6.1 | -126 | -35.2 | 0 | 0 | 0 | 114.6 | | |
| 290 | T | 35.3 | Very low | 33.8 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | | | trans | 60 | 154 | 150.8 | 45.9 | 0 | 0 | 0 | 0 | 127.5 | | |
| 291 | N | 33.2 | Very low | 34.1 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | 90.6 | 116.7 | 156 | -87.6 | -85.4 | 0 | 0 | 0 | 118.5 | | |
| 292 | R | 37.1 | Very low | 34.1 | Very low | 209 Ų | 209 | 138 Ų | 138 | 79% | 0.789 | 76% | 0.761 | S | S | * | * | | | | 67.2 | 143.6 | 69 | -105.8 | -180 | -178.4 | -108.3 | 11.6 | 112.1 | | |
| 293 | D | 30.7 | Very low | 34.1 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | | | cis | -164.8 | 168.8 | 8.1 | -152.3 | -22.3 | 0 | 0 | 0 | 110.1 | | |
| 294 | G | 33.9 | Very low | 33.9 | Very low | 70 Ų | 70 | 132.4 Ų | 132.4 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | | | trans | 71.1 | 119.9 | 152.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 295 | G | 30.7 | Very low | 33.7 | Very low | 74 Ų | 74 | 130.7 Ų | 130.7 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | | | trans | -97.5 | -144 | 152 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 296 | P | 44.8 | Very low | 33.7 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | | | cis | -118.8 | 174.5 | -33.8 | 40.1 | -28.2 | 0 | 0 | 0 | 111 | | |
| 297 | L | 35.5 | Very low | 33.8 | Very low | 175 Ų | 175 | 129.5 Ų | 129.5 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | | | trans | -155.1 | 131.2 | 159.1 | -114.9 | 157.5 | 0 | 0 | 0 | 112.7 | | |
| 298 | S | 32.3 | Very low | 34 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | | | trans | -96.6 | 137.6 | -176.5 | 52.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 299 | H | 32.7 | Very low | 34.1 | Very low | 188 Ų | 188 | 132 Ų | 132 | 87% | 0.87 | 76% | 0.757 | S | S | * | * | | | trans | -162.6 | 117.3 | 141.7 | -117.5 | -72.4 | 0 | 0 | 0 | 112.2 | | |
| 300 | E | 28.7 | Very low | 33.9 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | | | trans | -94.3 | 173.5 | 148.1 | -122.3 | -122.4 | 113.2 | 0 | 0 | 106.8 | V302 | E300-V302 PolarHBondContact OE1-N 3.01Š|
| 301 | P | 43.6 | Very low | 34.3 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | | | cis | -138.3 | 171.7 | 15.7 | 39.3 | -19.7 | 0 | 0 | 0 | 118.6 | | |
| 302 | V | 30.8 | Very low | 34.4 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | | | trans | 51.1 | 114.9 | 145.3 | 172.6 | 0 | 0 | 0 | 0 | 119.3 | E300 | E300-V302 PolarHBondContact OE1-N 3.01Š|
| 303 | G | 30.3 | Very low | 34.5 | Very low | 74 Ų | 74 | 129.6 Ų | 129.6 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | | | trans | -171.7 | 114.9 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 304 | N | 31.3 | Very low | 34.8 | Very low | 158 Ų | 158 | 133.3 Ų | 133.3 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | | | trans | -79.1 | 136.9 | -173.4 | -44.6 | -73.6 | 0 | 0 | 0 | 112.2 | | |
| 305 | D | 32.1 | Very low | 34.9 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | | -159.6 | 145.6 | 127.7 | -136.8 | -22.2 | 0 | 0 | 0 | 112.2 | A307 | D305-A307 PolarHBondContact O-N 3.3Š|
| 306 | L | 38.3 | Very low | 35.1 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | | | trans | -90 | 102.5 | 178.8 | -92.4 | 87.5 | 0 | 0 | 0 | 111.2 | F308 | L306-F308 HydrophobicContact CD2-CD2 4.3Å; L306-F308 HydrophobicContact CD2-CE2 4.27Å |
| 307 | A | 32.4 | Very low | 34.8 | Very low | 94 Ų | 94 | 147.1 Ų | 147.1 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | | | trans | -112.6 | 89.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | D305 E309 | D305-A307 PolarHBondContact O-N 3.3Å; A307-E309 VanDerWaalsContact C-N 3.34Å; A307-E309 PolarHBondContact O-N 3.47Å |
| 308 | F | 36 | Very low | 34.9 | Very low | 190 Ų | 190 | 148.5 Ų | 148.5 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | | | trans | -73.5 | 86.8 | 170.3 | -100.4 | -84.5 | 0 | 0 | 0 | 110.2 | L306 C310 | L306-F308 HydrophobicContact CD2-CD2 4.3Å; L306-F308 HydrophobicContact CD2-CE2 4.27Å; F308-C310 VanDerWaalsContact C-N 3.29Å; F308-C310 PolarHBondContact O-N 3.16Å |
| 309 | E | 32.4 | Very low | 35.3 | Very low | 140 Ų | 140 | 152.7 Ų | 152.7 | 65% | 0.654 | 79% | 0.79 | S | S | * | * | | | trans | -71.5 | 85.6 | 168.6 | -167.2 | -177.9 | 173.5 | 0 | 0 | 109.7 | A307 K311 | A307-E309 VanDerWaalsContact C-N 3.34Å; A307-E309 PolarHBondContact O-N 3.47Å; E309-K311 VanDerWaalsContact C-N 3.26Å; E309-K311 HydrophobicContact CG-CG 4.41Å; E309-K311 PolarHBondContact O-N 3.03Å; E309-K311 WeakPolarHBondContact OE1-CE 3.35Å; E309-K311 IonicContact OE1-NZ 3.59Å; E309-K311 PolarHBondContact OE1-NZ 3.5Å |
| 310 | C | 30.8 | Very low | 35.6 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | trans | -73.8 | 78.8 | 178.2 | -161.4 | 0 | 0 | 0 | 0 | 110.7 | F308 G312 | F308-C310 VanDerWaalsContact C-N 3.29Å; F308-C310 PolarHBondContact O-N 3.16Å; C310-G312 PolarHBondContact O-N 3.03Å; C310-G312 VanDerWaalsContact O-N 3.09Å |
| 311 | K | 42.5 | Very low | 35.8 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 67% | 0.665 | 79% | 0.789 | S | S | * | * | | | trans | -62 | 106.6 | 169.2 | -73.7 | -64.4 | -159.9 | -149.7 | 0 | 109.5 | E309 Q313 | E309-K311 VanDerWaalsContact C-N 3.26Å; E309-K311 HydrophobicContact CG-CG 4.41Å; E309-K311 PolarHBondContact O-N 3.03Å; E309-K311 WeakPolarHBondContact OE1-CE 3.35Å; E309-K311 IonicContact OE1-NZ 3.59Å; E309-K311 PolarHBondContact OE1-NZ 3.5Å; K311-Q313 PolarHBondContact O-N 2.78Å |
| 312 | G | 35.7 | Very low | 35.3 | Very low | 66 Ų | 66 | 152.4 Ų | 152.4 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | | | trans | -65.9 | 99.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C310 F314 | C310-G312 PolarHBondContact O-N 3.03Å; C310-G312 VanDerWaalsContact O-N 3.09Å; G312-F314 PolarHBondContact O-N 2.82Å |
| 313 | Q | 39.6 | Very low | 35.3 | Very low | 185 Ų | 185 | 154.4 Ų | 154.4 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | trans | -81.5 | 89.7 | 161.3 | -72.6 | 179.5 | -9.9 | 0 | 0 | 108.6 | K311 | K311-Q313 PolarHBondContact O-N 2.78Š|
| 314 | F | 35.9 | Very low | 35.9 | Very low | 205 Ų | 205 | 157.5 Ų | 157.5 | 90% | 0.899 | 80% | 0.801 | S | S | * | * | | | trans | -86.9 | 136.6 | 164.9 | -97.4 | -87.2 | 0 | 0 | 0 | 110.2 | G312 | G312-F314 PolarHBondContact O-N 2.82Š|
| 315 | Y | 36.4 | Very low | 36.2 | Very low | 215 Ų | 215 | 161.9 Ų | 161.9 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | | | trans | -61.9 | 131.7 | -172.2 | -97.3 | -115.1 | 0 | 0 | 0 | 112.9 | | |
| 316 | D | 35.7 | Very low | 36.2 | Very low | 163 Ų | 163 | 160.4 Ų | 160.4 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | | | trans | -95 | 103.3 | 159.6 | -160.6 | 4.1 | 0 | 0 | 0 | 107.6 | | |
| 317 | Y | 37.7 | Very low | 36.2 | Very low | 184 Ų | 184 | 161 Ų | 161 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | | | trans | -147.3 | 71.3 | -179.8 | -167.7 | -100.1 | 0 | 0 | 0 | 112.2 | | |
| 318 | F | 37.5 | Very low | 36.3 | Very low | 205 Ų | 205 | 162.1 Ų | 162.1 | 90% | 0.899 | 80% | 0.799 | S | S | * | * | | | trans | -145.8 | 46.3 | 162.5 | -90.1 | -67 | 0 | 0 | 0 | 113.2 | | |
| 319 | E | 41.9 | Very low | 36.2 | Very low | 186 Ų | 186 | 159.7 Ų | 159.7 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | | | trans | -163.4 | 92.8 | 161.8 | -119.6 | 163.6 | -162.3 | 0 | 0 | 114.9 | | |
| 320 | T | 37.8 | Very low | 36.3 | Very low | 138 Ų | 138 | 162.5 Ų | 162.5 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | | | trans | -156.7 | 128.2 | 138.4 | -31.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 321 | G | 32.6 | Very low | 36.9 | Very low | 67 Ų | 67 | 161.8 Ų | 161.8 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | | | trans | -82.2 | 150.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 322 | Y | 33.1 | Very low | 36.6 | Very low | 226 Ų | 226 | 165.3 Ų | 165.3 | 89% | 0.886 | 81% | 0.814 | S | S | * | * | | | trans | 32.6 | 99.1 | 140.3 | -138.8 | -92 | 0 | 0 | 0 | 118.2 | | |
| 323 | N | 31 | Very low | 36.9 | Very low | 164 Ų | 164 | 171.7 Ų | 171.7 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | | | trans | -146.4 | 157.1 | 142.5 | -142.6 | -67.1 | 0 | 0 | 0 | 112.3 | | |
| 324 | E | 42.9 | Very low | 36.9 | Very low | 139 Ų | 139 | 173.2 Ų | 173.2 | 65% | 0.65 | 83% | 0.826 | S | S | * | * | | | trans | -103 | 117.3 | -151.9 | 177.5 | 176.4 | -157.1 | 0 | 0 | 111.8 | | |
| 325 | R | 37.8 | Very low | 36.8 | Very low | 249 Ų | 249 | 169.3 Ų | 169.3 | 94% | 0.94 | 83% | 0.825 | S | S | * | * | | | trans | -142 | 77.2 | 158.6 | -64.6 | -167.5 | -154.2 | -152.9 | 7.7 | 110.8 | N327 | R325-N327 PolarHBondContact O-N 2.84Š|
| 326 | N | 33 | Very low | 37 | Very low | 129 Ų | 129 | 166.9 Ų | 166.9 | 69% | 0.69 | 83% | 0.825 | S | S | * | * | | | trans | -63.5 | 126 | 164.5 | -72.9 | -54.6 | 0 | 0 | 0 | 109.8 | | |
| 327 | N | 36.6 | Very low | 37.1 | Very low | 160 Ų | 160 | 170.5 Ų | 170.5 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | | | trans | -164.7 | 143.1 | 148.9 | -108.2 | -55.3 | 0 | 0 | 0 | 111.7 | R325 | R325-N327 PolarHBondContact O-N 2.84Š|
| 328 | V | 35.8 | Very low | 37.3 | Very low | 118 Ų | 118 | 171 Ų | 171 | 72% | 0.715 | 83% | 0.833 | S | S | * | * | S | Bend | trans | 78.9 | 84.5 | 173.5 | -168.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 329 | N | 34.4 | Very low | 37.2 | Very low | 140 Ų | 140 | 169.6 Ų | 169.6 | 75% | 0.749 | 83% | 0.826 | S | S | * | * | | | trans | 87.3 | 80.3 | 132.2 | -58 | -0.7 | 0 | 0 | 0 | 120.8 | | |
| 330 | E | 32.8 | Very low | 36.7 | Very low | 199 Ų | 199 | 168.4 Ų | 168.4 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | | | trans | -62 | 133.7 | 144.6 | -54.4 | -178.7 | 149.7 | 0 | 0 | 110.7 | | |
| 331 | S | 43.7 | Very low | 36.5 | Very low | 107 Ų | 107 | 166.3 Ų | 166.3 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | | | trans | -151.3 | 29.5 | 175 | -161 | 0 | 0 | 0 | 0 | 114.5 | | |
| 332 | W | 37.8 | Very low | 36.7 | Very low | 227 Ų | 227 | 168.9 Ų | 168.9 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -143.6 | 64 | -177 | 21.8 | -62.1 | 0 | 0 | 0 | 113.9 | | |
| 333 | K | 41.7 | Very low | 37.4 | Very low | 200 Ų | 200 | 163.6 Ų | 163.6 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | | | trans | 179.5 | 98.9 | 144.2 | -94.5 | 144.5 | -161.6 | -73 | 0 | 112 | | |
| 334 | K | 38.1 | Very low | 37.8 | Very low | 216 Ų | 216 | 161.7 Ų | 161.7 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | | | trans | -173.7 | 90.9 | 148.3 | -107.5 | 161.6 | -173.8 | 171.1 | 0 | 112.4 | | |
| 335 | S | 34.8 | Very low | 37.5 | Very low | 124 Ų | 124 | 161.1 Ų | 161.1 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | | | trans | -161.4 | 104.2 | 137.8 | -168.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 336 | L | 39.7 | Very low | 37.6 | Very low | 164 Ų | 164 | 156.2 Ų | 156.2 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | | | trans | -146.5 | 89 | 169.2 | -156.7 | 154.8 | 0 | 0 | 0 | 109.7 | | |
| 337 | R | 38.8 | Very low | 38.2 | Very low | 239 Ų | 239 | 159 Ų | 159 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | | | trans | -131.7 | 105.7 | 147.8 | -63.6 | -154.4 | -151.4 | -146.1 | 15 | 105.4 | | |
| 338 | K | 40.9 | Very low | 38.8 | Very low | 194 Ų | 194 | 160.1 Ų | 160.1 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | | | | 66.9 | 100.6 | 84.1 | -172.3 | -175.6 | -173.3 | 179.8 | 0 | 111.6 | | |
| 339 | K | 35.5 | Very low | 38.9 | Very low | 176 Ų | 176 | 159.7 Ų | 159.7 | 77% | 0.765 | 83% | 0.83 | S | S | * | * | | | | 174.4 | 121.3 | 115.7 | -166.1 | 167.6 | -176.2 | -173.1 | 0 | 113.4 | | |
| 340 | E | 32.3 | Very low | 39.2 | Very low | 161 Ų | 161 | 158.9 Ų | 158.9 | 75% | 0.752 | 83% | 0.834 | S | S | * | * | | | trans | 36.5 | 124.1 | 148 | -60.1 | 171.3 | 111.7 | 0 | 0 | 124.2 | | |
| 341 | A | 34.1 | Very low | 39.6 | Very low | 94 Ų | 94 | 155.6 Ų | 155.6 | 78% | 0.777 | 83% | 0.833 | S | S | * | * | | | | 54.4 | 114 | 125.4 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 342 | S | 36.5 | Very low | 40 | Very low | 121 Ų | 121 | 160.8 Ų | 160.8 | 85% | 0.846 | 84% | 0.842 | S | S | * | * | | | | -174.9 | 160.4 | 126.8 | 28.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 343 | P | 47.1 | Very low | 40.3 | Very low | 115 Ų | 115 | 153.3 Ų | 153.3 | 75% | 0.747 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 170.2 | -159.4 | 37.1 | -37.2 | 0 | 0 | 0 | 115.2 | S345 | P343-S345 PolarHBondContact O-N 3.39Š|
| 344 | P | 40.4 | Very low | 40.5 | Very low | 124 Ų | 124 | 149 Ų | 149 | 81% | 0.805 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 117 | 177.3 | 26.6 | -34.8 | 0 | 0 | 0 | 112.3 | N346 | P344-N346 PolarHBondContact O-N 2.84Š|
| 345 | S | 35.8 | Very low | 41.2 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 88% | 0.881 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 118.5 | 172.3 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | P343 | P343-S345 PolarHBondContact O-N 3.39Š|
| 346 | N | 40.1 | Very low | 41.6 | Very low | 147 Ų | 147 | 153 Ų | 153 | 79% | 0.786 | 84% | 0.841 | S | S | * | * | | | trans | -139.6 | 143.6 | 174 | -148 | -18.2 | 0 | 0 | 0 | 109 | P344 | P344-N346 PolarHBondContact O-N 2.84Š|
| 347 | K | 45.9 | Very low | 41.7 | Very low | 186 Ų | 186 | 152.4 Ų | 152.4 | 81% | 0.809 | 84% | 0.84 | S | S | * | * | | | trans | 78.1 | 105.9 | -174.4 | -49.2 | -176.1 | -178.1 | -175.5 | 0 | 116.7 | C349 | K347-C349 PolarHBondContact O-N 3.29Š|
| 348 | L | 49.4 | Very low | 41.9 | Very low | 185 Ų | 185 | 147.8 Ų | 147.8 | 97% | 0.969 | 84% | 0.837 | S | S | * | * | | | trans | -66.1 | 125.1 | 147.2 | -88.7 | 78.4 | 0 | 0 | 0 | 108.1 | | |
| 349 | C | 38.1 | Very low | 41.9 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 73% | 0.73 | 84% | 0.837 | S | S | * | * | | | trans | -141.9 | 119.3 | 171.5 | -157.9 | 0 | 0 | 0 | 0 | 110.6 | K347 | K347-C349 PolarHBondContact O-N 3.29Š|
| 350 | C | 38.8 | Very low | 42.3 | Very low | 124 Ų | 124 | 143.5 Ų | 143.5 | 84% | 0.838 | 84% | 0.841 | S | S | * | * | | | trans | 39.6 | 108.3 | 154.9 | -59.7 | 0 | 0 | 0 | 0 | 120 | | |
| 351 | S | 42.7 | Very low | 42.9 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | | | trans | -120 | 120.2 | 144 | 52.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 352 | K | 51.8 | Low | 43.5 | Very low | 216 Ų | 216 | 145.6 Ų | 145.6 | 94% | 0.939 | 85% | 0.851 | S | S | * | * | | | trans | -131.9 | 126.2 | 177.1 | -176.3 | 173.9 | -177.8 | 174.9 | 0 | 108.8 | | |
| 353 | G | 43.5 | Very low | 44 | Very low | 71 Ų | 71 | 147.4 Ų | 147.4 | 73% | 0.732 | 85% | 0.852 | S | S | * | * | | | trans | 150 | 100.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 354 | S | 45.5 | Very low | 43.8 | Very low | 109 Ų | 109 | 149.8 Ų | 149.8 | 76% | 0.762 | 86% | 0.86 | S | S | * | * | | | cis | 96.2 | 120 | 31.9 | -163.2 | 0 | 0 | 0 | 0 | 113 | | |
| 355 | K | 53.8 | Low | 44 | Very low | 188 Ų | 188 | 152 Ų | 152 | 82% | 0.817 | 86% | 0.864 | S | S | * | * | | | trans | 70.8 | 148.7 | 177.3 | -61.2 | 176.6 | 175.6 | 178.8 | 0 | 115.2 | | |
| 356 | I | 43.3 | Very low | 44.8 | Very low | 235 Ų | 235 | 154.4 Ų | 154.4 | 100% | 1.205 | 86% | 0.863 | S | S | * | * | | | cis | -101.8 | 0 | 2.3 | -76.9 | 76.1 | 0 | 0 | 0 | 110.3 | | |