| 1 | M | 37.7 | Very low | 46.2 | Very low | 233 Ų | 233 | 150.5 Ų | 150.5 | 100% | 1.148 | 82% | 0.818 | S | S | * | * | | | | 0 | 130.7 | 0 | -62.4 | 171.1 | -178.7 | 0 | 0 | 106.6 | | |
| 2 | T | 39.4 | Very low | 46.2 | Very low | 122 Ų | 122 | 148.9 Ų | 148.9 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | cis | -172.5 | 146.2 | -7.3 | 26.4 | 0 | 0 | 0 | 0 | 104.5 | | |
| 3 | L | 39.8 | Very low | 46.4 | Very low | 150 Ų | 150 | 144 Ų | 144 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | cis | -153.2 | 156.3 | 3.8 | -111.4 | 160.7 | 0 | 0 | 0 | 108 | | |
| 4 | S | 48.1 | Very low | 46.8 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | -95 | 126.2 | 171.5 | -54.8 | 0 | 0 | 0 | 0 | 110 | | |
| 5 | Q | 53 | Low | 47.1 | Very low | 165 Ų | 165 | 149.3 Ų | 149.3 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | | | trans | -159.1 | 50.9 | 175.7 | -154.4 | 158 | 10.4 | 0 | 0 | 114.8 | | |
| 6 | L | 48.6 | Very low | 47.3 | Very low | 179 Ų | 179 | 149 Ų | 149 | 94% | 0.937 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -148.3 | 62.2 | 172 | -76.8 | -179.4 | 0 | 0 | 0 | 111.5 | | |
| 7 | A | 51.8 | Low | 47.2 | Very low | 98 Ų | 98 | 143.6 Ų | 143.6 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -172.5 | 50 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 8 | L | 47.8 | Very low | 46.9 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -140.7 | -41.1 | 179.2 | -151.2 | 141.7 | 0 | 0 | 0 | 115.5 | D10 | L8-D10 PolarHBondContact O-N 3.16Å; L8-D10 VanDerWaalsContact O-N 3.16Å |
| 9 | E | 47.5 | Very low | 47.2 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | H | α-helix | trans | -55.9 | -32 | 178.5 | -84.1 | 74.3 | -177.4 | 0 | 0 | 114.7 | M11 | E9-M11 VanDerWaalsContact C-N 3.31Å; E9-M11 PolarHBondContact O-N 3.32Å |
| 10 | D | 47.6 | Very low | 47.1 | Very low | 162 Ų | 162 | 142.6 Ų | 142.6 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | H | α-helix | trans | -84.5 | 3 | -168 | -128.5 | 24.9 | 0 | 0 | 0 | 114.6 | L8 | L8-D10 PolarHBondContact O-N 3.16Å; L8-D10 VanDerWaalsContact O-N 3.16Å |
| 11 | M | 46.9 | Very low | 47.2 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | H | α-helix | trans | -111.5 | -22.9 | 178.8 | -153.3 | -172.9 | -53.4 | 0 | 0 | 113.5 | E9 A13 | E9-M11 VanDerWaalsContact C-N 3.31Å; E9-M11 PolarHBondContact O-N 3.32Å; M11-A13 VanDerWaalsContact C-N 3.32Å; M11-A13 PolarHBondContact O-N 3.35Å |
| 12 | E | 46.4 | Very low | 47.7 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 62% | 0.617 | 77% | 0.774 | S | S | * | * | H | α-helix | trans | -75.3 | -23.1 | -175.6 | -163.2 | 164 | -149.7 | 0 | 0 | 112.6 | L14 Y15 | E12-L14 PolarHBondContact O-N 3.33Å; E12-L14 VanDerWaalsContact O-N 3.1Å; E12-Y15 PolarHBondContact O-N 3.05Å |
| 13 | A | 48.9 | Very low | 48.1 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -12 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | M11 | M11-A13 VanDerWaalsContact C-N 3.32Å; M11-A13 PolarHBondContact O-N 3.35Å |
| 14 | L | 52.2 | Low | 48.6 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -5.2 | 179.3 | -67.3 | 176.2 | 0 | 0 | 0 | 114.3 | E12 | E12-L14 PolarHBondContact O-N 3.33Å; E12-L14 VanDerWaalsContact O-N 3.1Å |
| 15 | Y | 51.3 | Low | 48.9 | Very low | 214 Ų | 214 | 137.6 Ų | 137.6 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | -12.4 | -177 | -109.8 | -92.9 | 0 | 0 | 0 | 115.3 | E12 G17 | E12-Y15 PolarHBondContact O-N 3.05Å; Y15-G17 PolarHBondContact O-N 3.13Å |
| 16 | L | 49.3 | Very low | 48.8 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | trans | -86.2 | 86.3 | 171.3 | -103.4 | 66.9 | 0 | 0 | 0 | 111.1 | S18 | L16-S18 PolarHBondContact O-N 3.43Š|
| 17 | G | 46.4 | Very low | 48.9 | Very low | 57 Ų | 57 | 130.5 Ų | 130.5 | 59% | 0.588 | 74% | 0.739 | S | S | * | * | | | trans | -56.6 | 124.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y15 S19 | Y15-G17 PolarHBondContact O-N 3.13Å; G17-S19 PolarHBondContact O-N 3.44Å; G17-S19 PolarHBondContact O-OG 3.24Å |
| 18 | S | 41.8 | Very low | 48.9 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | | | trans | -61.2 | 94.2 | -172.8 | -171.8 | 0 | 0 | 0 | 0 | 112.3 | L16 F20 | L16-S18 PolarHBondContact O-N 3.43Å; S18-F20 VanDerWaalsContact C-N 3.29Å; S18-F20 PolarHBondContact O-N 3.1Å; S18-F20 VanDerWaalsContact O-N 3.12Å |
| 19 | S | 51.8 | Low | 49.3 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | | | trans | -91.1 | 56 | -171.8 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | G17 | G17-S19 PolarHBondContact O-N 3.44Å; G17-S19 PolarHBondContact O-OG 3.24Å |
| 20 | F | 46.5 | Very low | 49.7 | Very low | 180 Ų | 180 | 134.9 Ų | 134.9 | 79% | 0.789 | 76% | 0.76 | S | S | * | * | | | trans | -135.6 | 117.5 | 178.7 | -105.2 | -88.3 | 0 | 0 | 0 | 113.7 | S18 | S18-F20 VanDerWaalsContact C-N 3.29Å; S18-F20 PolarHBondContact O-N 3.1Å; S18-F20 VanDerWaalsContact O-N 3.12Å |
| 21 | L | 47.8 | Very low | 49.8 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | trans | 56.3 | 99.8 | 155 | -108.8 | 159.8 | 0 | 0 | 0 | 117.9 | A23 | L21-A23 VanDerWaalsContact C-N 3.28Å; L21-A23 HydrophobicContact CD2-CB 4.37Å; L21-A23 PolarHBondContact O-N 3.47Å |
| 22 | M | 49.3 | Very low | 49.9 | Very low | 194 Ų | 194 | 136.6 Ų | 136.6 | 96% | 0.956 | 77% | 0.766 | S | S | * | * | | | trans | -65.5 | 88.5 | 154.3 | -69 | -92.2 | 77.4 | 0 | 0 | 109.6 | | |
| 23 | A | 46.9 | Very low | 49.8 | Very low | 77 Ų | 77 | 138.1 Ų | 138.1 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | | | trans | -108.1 | 109 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | L21 P25 | L21-A23 VanDerWaalsContact C-N 3.28Å; L21-A23 HydrophobicContact CD2-CB 4.37Å; L21-A23 PolarHBondContact O-N 3.47Å; A23-P25 WeakPolarHBondContact O-CD 3.46Å |
| 24 | D | 51.3 | Low | 49.8 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | | | trans | -63.9 | 121 | 174.1 | 179.8 | 3.9 | 0 | 0 | 0 | 109.9 | M26 | D24-M26 VanDerWaalsContact C-N 3.25Å; D24-M26 PolarHBondContact O-N 3.46Å; D24-M26 WeakPolarHBondContact OD1-CB 3.45Å; D24-M26 PolarHBondContact OD1-N 3.19Å |
| 25 | P | 55.1 | Low | 49.6 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | trans | -75.5 | -10.8 | 177.8 | 31.9 | -35.5 | 0 | 0 | 0 | 113.4 | A23 G27 | A23-P25 WeakPolarHBondContact O-CD 3.46Å; P25-G27 VanDerWaalsContact C-N 3.28Å; P25-G27 PolarHBondContact O-N 2.91Å |
| 26 | M | 49.6 | Very low | 49.1 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 73% | 0.729 | 79% | 0.792 | S | S | * | * | | | trans | -83.2 | 67.1 | -178.4 | -63.8 | -51.7 | -52.9 | 0 | 0 | 112.8 | D24 | D24-M26 VanDerWaalsContact C-N 3.25Å; D24-M26 PolarHBondContact O-N 3.46Å; D24-M26 WeakPolarHBondContact OD1-CB 3.45Å; D24-M26 PolarHBondContact OD1-N 3.19Å |
| 27 | G | 51.5 | Low | 49 | Very low | 48 Ų | 48 | 140.3 Ų | 140.3 | 50% | 0.495 | 79% | 0.787 | S | S | . | * | | | trans | -57 | 146 | 165 | 0 | 0 | 0 | 0 | 0 | 111.9 | P25 L29 | P25-G27 VanDerWaalsContact C-N 3.28Å; P25-G27 PolarHBondContact O-N 2.91Å; G27-L29 PolarHBondContact O-N 3.21Å |
| 28 | P | 51.7 | Low | 48.4 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 90% | 0.903 | 80% | 0.8 | S | S | * | * | | | trans | -67.2 | 85.2 | -178.5 | -22.3 | 34.8 | 0 | 0 | 0 | 113.8 | L30 | P28-L30 VanDerWaalsContact C-N 3.31Å; P28-L30 PolarHBondContact O-N 3.47Å; P28-L30 VanDerWaalsContact O-N 3.13Å |
| 29 | L | 54.8 | Low | 48.2 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | | | trans | -86.1 | 71.3 | 174 | -160.6 | 156.4 | 0 | 0 | 0 | 109.7 | G27 | G27-L29 PolarHBondContact O-N 3.21Š|
| 30 | L | 56.8 | Low | 47.8 | Very low | 163 Ų | 163 | 146.7 Ų | 146.7 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | -163.3 | 76.2 | 174.3 | -118.1 | 173 | 0 | 0 | 0 | 111.4 | P28 | P28-L30 VanDerWaalsContact C-N 3.31Å; P28-L30 PolarHBondContact O-N 3.47Å; P28-L30 VanDerWaalsContact O-N 3.13Å |
| 31 | D | 49.3 | Very low | 47.1 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | trans | -166 | 55.5 | 163.4 | -122 | 11.4 | 0 | 0 | 0 | 110 | | |
| 32 | Q | 49.2 | Very low | 46.3 | Very low | 193 Ų | 193 | 142.4 Ų | 142.4 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | | | trans | -151.2 | 40.8 | 178.4 | -153.1 | 172.3 | 7.5 | 0 | 0 | 114.9 | | |
| 33 | D | 44.9 | Very low | 45.7 | Very low | 165 Ų | 165 | 137.9 Ų | 137.9 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -153.5 | 49.3 | 171.9 | -159.1 | 28.2 | 0 | 0 | 0 | 114.7 | | |
| 34 | E | 47.5 | Very low | 45.1 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -146.6 | 12.1 | 164.9 | 63.8 | -179.6 | 133.6 | 0 | 0 | 116.8 | | |
| 35 | E | 48 | Very low | 44.3 | Very low | 192 Ų | 192 | 143.1 Ų | 143.1 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -118.7 | 26.5 | -172.7 | -74.1 | -79.4 | -172.4 | 0 | 0 | 115.4 | | |
| 36 | E | 42.7 | Very low | 43.5 | Very low | 196 Ų | 196 | 143.3 Ų | 143.3 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | | | trans | -140.2 | 63.1 | 171.1 | -163.6 | 162.9 | -157 | 0 | 0 | 113.6 | | |
| 37 | A | 45.7 | Very low | 42.8 | Very low | 79 Ų | 79 | 145.6 Ų | 145.6 | 65% | 0.653 | 80% | 0.797 | S | S | * | * | | | trans | -134.1 | 15.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 38 | F | 33.8 | Very low | 42.1 | Very low | 195 Ų | 195 | 147.2 Ų | 147.2 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -136.4 | 104.5 | -178.9 | -74.4 | -70.1 | 0 | 0 | 0 | 116.5 | | |
| 39 | S | 37.4 | Very low | 42.2 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | 86.1 | 163.7 | 155 | -29.8 | 0 | 0 | 0 | 0 | 116.1 | | |
| 40 | P | 44.4 | Very low | 41.3 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | | | | -138.5 | 169.3 | -97.4 | 35.1 | -14 | 0 | 0 | 0 | 116.7 | | |
| 41 | S | 30.7 | Very low | 40.3 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | 60.6 | 116 | 158.3 | -62.5 | 0 | 0 | 0 | 0 | 119.3 | | |
| 42 | S | 32.2 | Very low | 40.4 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | | 172.5 | 121.8 | 117.9 | 178 | 0 | 0 | 0 | 0 | 113.2 | | |
| 43 | S | 37.2 | Very low | 39.7 | Very low | 100 Ų | 100 | 135.6 Ų | 135.6 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | | | trans | 18.1 | 127.7 | 143.4 | -177.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 44 | F | 33.5 | Very low | 39.2 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 74% | 0.737 | 79% | 0.792 | S | S | * | * | | | | 169 | 161.4 | 98.5 | -158 | -132.5 | 0 | 0 | 0 | 112.5 | | |
| 45 | E | 34.9 | Very low | 38.5 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | trans | 23.1 | 119.8 | 169.8 | -69.7 | -179.5 | 146.2 | 0 | 0 | 121.2 | | |
| 46 | V | 37.4 | Very low | 37.8 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | | | | 65.2 | 97.1 | 67.1 | 179.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 47 | K | 35.4 | Very low | 37.3 | Very low | 195 Ų | 195 | 128.6 Ų | 128.6 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | | | | 178.8 | 146.5 | 113.5 | -146.5 | 92.3 | 173.2 | -172.2 | 0 | 112.5 | | |
| 48 | A | 36.2 | Very low | 36.8 | Very low | 82 Ų | 82 | 130 Ų | 130 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | | | trans | -95.7 | -177.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 49 | P | 55.2 | Low | 37 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | | | cis | -138.7 | 178.4 | 3.3 | 43.9 | -27.4 | 0 | 0 | 0 | 115.3 | | |
| 50 | A | 34.1 | Very low | 37.1 | Very low | 97 Ų | 97 | 131 Ų | 131 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | -177.5 | 141.6 | 133.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 51 | S | 37 | Very low | 36.7 | Very low | 117 Ų | 117 | 129 Ų | 129 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -100.9 | -178.4 | 166.9 | -24.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 52 | P | 51.5 | Low | 36.9 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | | | cis | -135.6 | 174.8 | 28.5 | 41.9 | -23.2 | 0 | 0 | 0 | 117 | | |
| 53 | S | 34.8 | Very low | 37.3 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -86.7 | 164.2 | 170.1 | 42.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 54 | L | 33.8 | Very low | 37.3 | Very low | 179 Ų | 179 | 130.1 Ų | 130.1 | 94% | 0.937 | 77% | 0.773 | S | S | * | * | | | trans | -122.3 | 153.6 | 162.7 | -75.4 | 176.9 | 0 | 0 | 0 | 110.6 | | |
| 55 | S | 31.7 | Very low | 37.4 | Very low | 92 Ų | 92 | 127.3 Ų | 127.3 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | | | trans | -96 | 154.7 | -166.1 | -44 | 0 | 0 | 0 | 0 | 113.7 | | |
| 56 | F | 33.5 | Very low | 38.5 | Very low | 210 Ų | 210 | 124.7 Ų | 124.7 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | | | | -163.9 | 120.4 | 124.9 | -82.7 | -66.1 | 0 | 0 | 0 | 105.7 | | |
| 57 | S | 33.1 | Very low | 38.3 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | cis | 66 | 92.4 | 43 | -62.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 58 | S | 35.6 | Very low | 38.4 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | | | | -177.2 | 114.2 | 117.9 | 179 | 0 | 0 | 0 | 0 | 113.4 | | |
| 59 | S | 37 | Very low | 38.3 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | 68.2 | 152.2 | 140.8 | -51.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 60 | Y | 39.9 | Very low | 37.3 | Very low | 222 Ų | 222 | 129.1 Ų | 129.1 | 87% | 0.871 | 76% | 0.762 | S | S | * | * | | | cis | -138.2 | 157.9 | 10.2 | -161 | -101 | 0 | 0 | 0 | 111.8 | | |
| 61 | A | 35.4 | Very low | 37.4 | Very low | 71 Ų | 71 | 128.1 Ų | 128.1 | 59% | 0.587 | 75% | 0.749 | S | S | * | * | | | trans | -87.8 | 147.8 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 62 | S | 35.9 | Very low | 37.2 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | | | | 55.8 | 146.5 | 79.7 | -127.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 63 | S | 40.5 | Very low | 36.5 | Very low | 95 Ų | 95 | 131 Ų | 131 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | | | cis | -166.4 | 159.7 | 12.4 | -173.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 64 | T | 36.8 | Very low | 37.5 | Very low | 147 Ų | 147 | 131 Ų | 131 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | | | trans | -154.2 | 131.1 | 135.8 | 40.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 65 | S | 34.8 | Very low | 37.5 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | | | trans | -130 | -175.6 | 168.5 | -142.3 | 0 | 0 | 0 | 0 | 106.4 | | |
| 66 | P | 57.8 | Low | 37.7 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 59% | 0.591 | 75% | 0.747 | S | S | * | * | | | cis | -137.8 | 178 | 3.8 | 43.4 | -26 | 0 | 0 | 0 | 115.8 | | |
| 67 | Y | 34.2 | Very low | 37.9 | Very low | 196 Ų | 196 | 128.4 Ų | 128.4 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | | | | 178.1 | 120.2 | 121.2 | -94.1 | -66.7 | 0 | 0 | 0 | 110.7 | | |
| 68 | Q | 38.3 | Very low | 37.9 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | | | | 44.8 | 138.2 | 126.7 | -93.1 | -176.3 | 16.7 | 0 | 0 | 121.3 | | |
| 69 | T | 32.5 | Very low | 38.3 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 60% | 0.601 | 75% | 0.751 | S | S | * | * | | | cis | -161 | 175.2 | 12.1 | -28.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 70 | M | 35.7 | Very low | 39.1 | Very low | 162 Ų | 162 | 129.1 Ų | 129.1 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | | | trans | 81 | 151.1 | 164.6 | -47.8 | -48 | 175.2 | 0 | 0 | 117.7 | | |
| 71 | S | 35.2 | Very low | 39.8 | Very low | 77 Ų | 77 | 124.1 Ų | 124.1 | 54% | 0.538 | 75% | 0.747 | S | S | . | * | | | | 178.2 | 147.2 | -57.3 | 49.1 | 0 | 0 | 0 | 0 | 111 | | |
| 72 | F | 33.1 | Very low | 40.4 | Very low | 190 Ų | 190 | 126.9 Ų | 126.9 | 83% | 0.833 | 76% | 0.759 | S | S | * | * | | | trans | 77.5 | 96.5 | 166.6 | -55.5 | -66.9 | 0 | 0 | 0 | 119.9 | | |
| 73 | S | 37.7 | Very low | 40.8 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | | 43.2 | 145.5 | 119.4 | -54.1 | 0 | 0 | 0 | 0 | 123.5 | | |
| 74 | P | 55.6 | Low | 41.3 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | trans | -101.3 | 161.1 | -170.1 | 40.3 | -36.3 | 0 | 0 | 0 | 115.2 | | |
| 75 | F | 33.6 | Very low | 41.8 | Very low | 201 Ų | 201 | 127.5 Ų | 127.5 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | | | trans | -146.4 | 126.2 | 161 | -84.6 | -69.3 | 0 | 0 | 0 | 114.9 | | |
| 76 | S | 35.3 | Very low | 41.8 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | 34.2 | 112.6 | 139.4 | -54 | 0 | 0 | 0 | 0 | 122.3 | | |
| 77 | S | 37.7 | Very low | 40.8 | Very low | 122 Ų | 122 | 130 Ų | 130 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | | | | 33.5 | 117.4 | 113.8 | -179.7 | 0 | 0 | 0 | 0 | 119 | | |
| 78 | A | 34.1 | Very low | 41 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | -132.2 | 141.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 79 | S | 44.4 | Very low | 41.1 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -84 | 155.1 | -178.9 | -53.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 80 | P | 53.1 | Low | 41.1 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 154.6 | 175.4 | 30.5 | -35.8 | 0 | 0 | 0 | 113.2 | | |
| 81 | P | 54.8 | Low | 41 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 160.6 | -177.7 | 34.6 | -36.5 | 0 | 0 | 0 | 114.1 | | |
| 82 | P | 47.4 | Very low | 41.7 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -82 | 152.2 | -179.8 | 33.5 | -36.1 | 0 | 0 | 0 | 114.1 | | |
| 83 | S | 44.9 | Very low | 41.6 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 149.4 | -179.7 | -43.7 | 0 | 0 | 0 | 0 | 114 | | |
| 84 | P | 50.3 | Low | 41.5 | Very low | 122 Ų | 122 | 131 Ų | 131 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 164 | 174.1 | 32.9 | -35.3 | 0 | 0 | 0 | 113.3 | | |
| 85 | P | 48.2 | Very low | 40.4 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 165.4 | -158.5 | 35.9 | -37.9 | 0 | 0 | 0 | 117.1 | | |
| 86 | L | 33.9 | Very low | 40.6 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 142.1 | -179.6 | -172.3 | 71.6 | 0 | 0 | 0 | 114.1 | | |
| 87 | S | 37 | Very low | 40.8 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | trans | -128.5 | 129.6 | 164.6 | 54 | 0 | 0 | 0 | 0 | 112.7 | | |
| 88 | H | 37.6 | Very low | 40.7 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -83.2 | 169.9 | 163.2 | -61.6 | -53.3 | 0 | 0 | 0 | 108.6 | | |
| 89 | P | 41.6 | Very low | 40.8 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | cis | -154.6 | -177.3 | 31.4 | 45.6 | -24.1 | 0 | 0 | 0 | 119.8 | | |
| 90 | I | 32.7 | Very low | 40.3 | Very low | 162 Ų | 162 | 141.7 Ų | 141.7 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | | | trans | 74.6 | 139 | 149.9 | -74.6 | 155.8 | 0 | 0 | 0 | 120.7 | | |
| 91 | K | 32.8 | Very low | 39.3 | Very low | 195 Ų | 195 | 139.4 Ų | 139.4 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | | | trans | -144.5 | 166.9 | 164.7 | -107.4 | -174.5 | 178.7 | -179.6 | 0 | 105.6 | | |
| 92 | P | 49.7 | Very low | 38.4 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | | | cis | -127.4 | -178.7 | -22.4 | 40.8 | -26.9 | 0 | 0 | 0 | 111.6 | | |
| 93 | E | 30.7 | Very low | 38 | Very low | 198 Ų | 198 | 138.1 Ų | 138.1 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | | | trans | -145 | 172 | 147 | -156 | 154.5 | -135.2 | 0 | 0 | 109.8 | | |
| 94 | A | 35.5 | Very low | 38 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 65% | 0.653 | 81% | 0.81 | S | S | * | * | | | trans | -125.9 | -175.7 | -171 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 95 | E | 33.2 | Very low | 37.5 | Very low | 181 Ų | 181 | 141.1 Ų | 141.1 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | | | trans | 70.3 | 142 | -177.3 | -44.6 | -170.8 | 176.2 | 0 | 0 | 112.5 | | |
| 96 | L | 38.4 | Very low | 37.2 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | | | cis | -134.7 | 159.7 | 27.7 | -83.3 | 160.8 | 0 | 0 | 0 | 113.7 | | |
| 97 | L | 39.3 | Very low | 37.7 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | | | trans | -75.4 | 142.5 | 163.6 | -67.4 | 165.6 | 0 | 0 | 0 | 110.4 | | |
| 98 | S | 35.9 | Very low | 37.7 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | | | trans | -148.9 | 103.3 | 159.3 | -80.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 99 | L | 34.4 | Very low | 38.2 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | | | trans | -78.5 | 124.4 | 174.5 | 173.9 | 74.1 | 0 | 0 | 0 | 109.6 | | |
| 100 | L | 35 | Very low | 38 | Very low | 172 Ų | 172 | 139.4 Ų | 139.4 | 90% | 0.901 | 82% | 0.822 | S | S | * | * | | | trans | 176.7 | 146.3 | 157.4 | -94.4 | 152.1 | 0 | 0 | 0 | 106.5 | | |
| 101 | G | 31.8 | Very low | 38.7 | Very low | 72 Ų | 72 | 136.5 Ų | 136.5 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | | | cis | 143.2 | 74.7 | -0.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 102 | A | 35.8 | Very low | 39 | Very low | 99 Ų | 99 | 131 Ų | 131 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -150.5 | 131.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 103 | S | 40 | Very low | 38.7 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | | | trans | -122.2 | 142.8 | 164.6 | -56.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 104 | D | 43 | Very low | 39.7 | Very low | 150 Ų | 150 | 124.2 Ų | 124.2 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | | | trans | 58.6 | 134.3 | -171.4 | -65.7 | -47.6 | 0 | 0 | 0 | 114.4 | | |
| 105 | L | 40.7 | Very low | 40.5 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 80% | 0.796 | 82% | 0.817 | S | S | * | * | | | | -167.9 | 162.7 | 72.9 | -89.5 | 170.1 | 0 | 0 | 0 | 112.4 | | |
| 106 | L | 41.8 | Very low | 41.7 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | | | trans | 61.1 | 105.5 | 159.8 | -93.1 | 72.8 | 0 | 0 | 0 | 119.5 | G108 | L106-G108 PolarHBondContact O-N 3.42Š|
| 107 | S | 44.8 | Very low | 42.6 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | | -9.4 | 119.2 | 125.3 | 171.9 | 0 | 0 | 0 | 0 | 115.8 | | |
| 108 | G | 36.9 | Very low | 43.6 | Very low | 74 Ų | 74 | 126.7 Ų | 126.7 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | | | trans | -136.2 | 120.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L106 G110 | L106-G108 PolarHBondContact O-N 3.42Å; G108-G110 PolarHBondContact O-N 3.07Å |
| 109 | H | 49.1 | Very low | 44.5 | Very low | 191 Ų | 191 | 127.1 Ų | 127.1 | 88% | 0.884 | 79% | 0.794 | S | S | * | * | | | trans | -76.2 | 116.6 | 177.9 | 177 | 83 | 0 | 0 | 0 | 110 | | |
| 110 | G | 36.1 | Very low | 45.8 | Very low | 72 Ų | 72 | 121 Ų | 121 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | | | trans | -127.9 | 116 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G108 | G108-G110 PolarHBondContact O-N 3.07Š|
| 111 | A | 47 | Very low | 47.4 | Very low | 101 Ų | 101 | 119.2 Ų | 119.2 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | | | trans | -78.8 | 141.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 112 | G | 40.7 | Very low | 49.3 | Very low | 79 Ų | 79 | 120.9 Ų | 120.9 | 81% | 0.814 | 75% | 0.753 | S | S | * | * | | | trans | 177.9 | 107.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 113 | G | 42.7 | Very low | 50.9 | Low | 70 Ų | 70 | 123.1 Ų | 123.1 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | | | trans | 82.2 | 95.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | R115 | G113-R115 PolarHBondContact O-N 3.19Š|
| 114 | S | 50.7 | Low | 52.7 | Low | 104 Ų | 104 | 125.9 Ų | 125.9 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | trans | -65 | 111.5 | 142.6 | -146.7 | 0 | 0 | 0 | 0 | 106.2 | D116 | S114-D116 WeakPolarHBondContact CB-OD1 3.35Å; S114-D116 PolarHBondContact OG-OD1 3.1Å |
| 115 | R | 52.3 | Low | 54.2 | Low | 218 Ų | 218 | 124.5 Ų | 124.5 | 82% | 0.823 | 73% | 0.729 | S | S | * | * | | | trans | -104.1 | 92.6 | 157.6 | -74.3 | -173.2 | 69.5 | -128.2 | -2.2 | 104 | G113 D117 | G113-R115 PolarHBondContact O-N 3.19Å; R115-D117 PolarHBondContact O-N 3.41Å |
| 116 | D | 58.3 | Low | 55.8 | Low | 125 Ų | 125 | 121.5 Ų | 121.5 | 67% | 0.668 | 72% | 0.721 | S | S | * | * | | | trans | -58.4 | 137.6 | -174.3 | -46.2 | -51.8 | 0 | 0 | 0 | 109.2 | S114 D118 | S114-D116 WeakPolarHBondContact CB-OD1 3.35Å; S114-D116 PolarHBondContact OG-OD1 3.1Å; D116-D118 PolarHBondContact O-N 3.39Å |
| 117 | D | 57.3 | Low | 57.5 | Low | 142 Ų | 142 | 121.2 Ų | 121.2 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | | | trans | -74.6 | 84.8 | -155.1 | -66.8 | -84.4 | 0 | 0 | 0 | 114.6 | R115 L119 G120 | R115-D117 PolarHBondContact O-N 3.41Å; D117-L119 PolarHBondContact O-N 3.04Å; D117-G120 PolarHBondContact O-N 3.42Å |
| 118 | D | 61.1 | Low | 59.1 | Low | 153 Ų | 153 | 124.9 Ų | 124.9 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | 24.6 | 167.5 | -164.6 | 45.7 | 0 | 0 | 0 | 114 | D116 | D116-D118 PolarHBondContact O-N 3.39Š|
| 119 | L | 55.5 | Low | 61.2 | Low | 132 Ų | 132 | 127 Ų | 127 | 69% | 0.691 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.3 | -10 | 176.5 | -63.6 | 177.3 | 0 | 0 | 0 | 112.5 | D117 D121 M122 | D117-L119 PolarHBondContact O-N 3.04Å; L119-D121 PolarHBondContact O-N 3.35Å; L119-M122 PolarHBondContact O-N 3.06Å; L119-M122 VanDerWaalsContact O-N 3.12Å |
| 120 | G | 61.8 | Low | 62.5 | Low | 41 Ų | 41 | 122.9 Ų | 122.9 | 42% | 0.423 | 69% | 0.693 | S | S | . | * | G | 310 helix | trans | -61.3 | -27.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D117 M122 E123 | D117-G120 PolarHBondContact O-N 3.42Å; G120-M122 PolarHBondContact O-N 3.42Å; G120-E123 WeakPolarHBondContact O-CB 3.49Å; G120-E123 PolarHBondContact O-N 3.05Å |
| 121 | D | 68.9 | Low | 64.5 | Low | 136 Ų | 136 | 125.3 Ų | 125.3 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -63.5 | -10.4 | 175.2 | -167.4 | 56.9 | 0 | 0 | 0 | 113.7 | L119 W124 | L119-D121 PolarHBondContact O-N 3.35Å; D121-W124 PolarHBondContact O-NE1 2.95Å |
| 122 | M | 71.2 | Confident | 65.8 | Low | 107 Ų | 107 | 125 Ų | 125 | 53% | 0.527 | 68% | 0.68 | S | S | . | * | G | 310 helix | trans | -108.3 | 4.1 | 175.2 | -57 | -164.9 | 76.7 | 0 | 0 | 113.8 | L119 G120 M125 S126 | L119-M122 PolarHBondContact O-N 3.06Å; L119-M122 VanDerWaalsContact O-N 3.12Å; G120-M122 PolarHBondContact O-N 3.42Å; M122-M125 HydrophobicContact CE-SD 4.17Å; M122-M125 PolarHBondContact O-N 3.23Å; M122-S126 PolarHBondContact O-N 3.02Å; M122-S126 PolarHBondContact O-OG 3.46Å; M122-S126 VanDerWaalsContact O-OG 3.06Å |
| 123 | E | 68.1 | Low | 67.3 | Low | 146 Ų | 146 | 128.1 Ų | 128.1 | 68% | 0.682 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -69.4 | -37.9 | -179.8 | -170.2 | 162.8 | -156.6 | 0 | 0 | 111.9 | G120 M125 S126 E127 | G120-E123 WeakPolarHBondContact O-CB 3.49Å; G120-E123 PolarHBondContact O-N 3.05Å; E123-M125 PolarHBondContact O-N 3.45Å; E123-S126 CarbonylContact O-C 3.51Å; E123-S126 WeakPolarHBondContact O-CA 3.42Å; E123-S126 WeakPolarHBondContact O-CB 3.42Å; E123-S126 PolarHBondContact O-N 2.84Å; E123-E127 PolarHBondContact O-N 2.9Å |
| 124 | W | 79.3 | Confident | 68.7 | Low | 176 Ų | 176 | 130.8 Ų | 130.8 | 67% | 0.667 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -27.2 | 174.9 | 72.1 | -90.5 | 0 | 0 | 0 | 113.5 | D121 S126 | D121-W124 PolarHBondContact O-NE1 2.95Å; W124-S126 VanDerWaalsContact C-N 3.25Å |
| 125 | M | 73.9 | Confident | 69.8 | Low | 122 Ų | 122 | 130.4 Ų | 130.4 | 60% | 0.601 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -14.4 | 171.6 | -68.5 | -172.1 | 62.3 | 0 | 0 | 113.1 | M122 E123 | M122-M125 HydrophobicContact CE-SD 4.17Å; M122-M125 PolarHBondContact O-N 3.23Å; E123-M125 PolarHBondContact O-N 3.45Å |
| 126 | S | 73.7 | Confident | 70.6 | Confident | 88 Ų | 88 | 125.4 Ų | 125.4 | 62% | 0.615 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -13.6 | -177.8 | -55 | 0 | 0 | 0 | 0 | 112.5 | M122 E123 W124 K128 | M122-S126 PolarHBondContact O-N 3.02Å; M122-S126 PolarHBondContact O-OG 3.46Å; M122-S126 VanDerWaalsContact O-OG 3.06Å; E123-S126 CarbonylContact O-C 3.51Å; E123-S126 WeakPolarHBondContact O-CA 3.42Å; E123-S126 WeakPolarHBondContact O-CB 3.42Å; E123-S126 PolarHBondContact O-N 2.84Å; W124-S126 VanDerWaalsContact C-N 3.25Å; S126-K128 PolarHBondContact O-N 3.14Å |
| 127 | E | 77.3 | Confident | 70.9 | Confident | 147 Ų | 147 | 127.3 Ų | 127.3 | 69% | 0.687 | 65% | 0.654 | S | S | * | * | | | trans | -61.7 | 112.3 | 175.6 | -174.5 | 171.2 | -157.1 | 0 | 0 | 111 | E123 I129 | E123-E127 PolarHBondContact O-N 2.9Å; E127-I129 PolarHBondContact O-N 3.01Å |
| 128 | K | 79.4 | Confident | 71.3 | Confident | 198 Ų | 198 | 124.1 Ų | 124.1 | 86% | 0.861 | 64% | 0.643 | S | S | * | * | | | trans | -87.7 | 91.8 | 173.2 | -70.5 | -172.6 | 177.5 | -176.5 | 0 | 109.4 | S126 D130 | S126-K128 PolarHBondContact O-N 3.14Å; K128-D130 PolarHBondContact O-N 3.22Å; K128-D130 VanDerWaalsContact O-N 3.08Å |
| 129 | I | 80.3 | Confident | 71.5 | Confident | 119 Ų | 119 | 122.6 Ų | 122.6 | 61% | 0.61 | 63% | 0.634 | S | S | * | * | | | trans | -54.9 | 113.2 | 166.6 | -55.8 | 169.7 | 0 | 0 | 0 | 107.8 | E127 L131 F134 | E127-I129 PolarHBondContact O-N 3.01Å; I129-L131 HydrophobicContact CG2-CD2 3.9Å; I129-L131 PolarHBondContact O-N 3.31Å; I129-F134 HydrophobicContact CG2-CE2 4.21Å |
| 130 | D | 76.6 | Confident | 71.8 | Confident | 104 Ų | 104 | 122.4 Ų | 122.4 | 56% | 0.556 | 63% | 0.633 | S | S | * | * | | | trans | -76.8 | 119.2 | 172.4 | -159.8 | -37.8 | 0 | 0 | 0 | 108.6 | K128 S132 | K128-D130 PolarHBondContact O-N 3.22Å; K128-D130 VanDerWaalsContact O-N 3.08Å; D130-S132 VanDerWaalsContact C-N 3.33Å; D130-S132 VanDerWaalsContact CG-OG 3.29Å; D130-S132 VanDerWaalsContact OD1-CB 3.29Å; D130-S132 WeakPolarHBondContact OD1-CB 3.33Å; D130-S132 PolarHBondContact OD1-N 3.12Å; D130-S132 PolarHBondContact OD1-OG 3.46Å |
| 131 | L | 77.8 | Confident | 71.5 | Confident | 124 Ų | 124 | 123.3 Ų | 123.3 | 65% | 0.649 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -90.5 | 2.5 | -178.2 | -63.6 | 176.3 | 0 | 0 | 0 | 112.6 | I129 F134 | I129-L131 HydrophobicContact CG2-CD2 3.9Å; I129-L131 PolarHBondContact O-N 3.31Å; L131-F134 HydrophobicContact CD2-CD2 3.92Å; L131-F134 HydrophobicContact CD2-CE2 4.11Å; L131-F134 HydrophobicContact CD2-CG 4.46Å; L131-F134 PolarHBondContact O-N 3.1Å |
| 132 | S | 74.1 | Confident | 70.7 | Confident | 93 Ų | 93 | 121.5 Ų | 121.5 | 65% | 0.65 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -25 | 177 | 60.1 | 0 | 0 | 0 | 0 | 113.9 | D130 F134 | D130-S132 VanDerWaalsContact C-N 3.33Å; D130-S132 VanDerWaalsContact CG-OG 3.29Å; D130-S132 VanDerWaalsContact OD1-CB 3.29Å; D130-S132 WeakPolarHBondContact OD1-CB 3.33Å; D130-S132 PolarHBondContact OD1-N 3.12Å; D130-S132 PolarHBondContact OD1-OG 3.46Å; S132-F134 VanDerWaalsContact C-N 3.29Å; S132-F134 PolarHBondContact O-N 3.33Å |
| 133 | D | 73.2 | Confident | 69.5 | Low | 146 Ų | 146 | 121.5 Ų | 121.5 | 78% | 0.781 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -9.3 | 173 | -73.9 | -32.2 | 0 | 0 | 0 | 113.4 | D135 | D133-D135 PolarHBondContact O-N 3.09Š|
| 134 | F | 72.5 | Confident | 68.5 | Low | 125 Ų | 125 | 119.5 Ų | 119.5 | 55% | 0.548 | 65% | 0.651 | S | S | . | * | | | trans | -86.9 | 96.4 | 179.1 | -77.7 | -99.3 | 0 | 0 | 0 | 111.2 | I129 L131 S132 L136 | I129-F134 HydrophobicContact CG2-CE2 4.21Å; L131-F134 HydrophobicContact CD2-CD2 3.92Å; L131-F134 HydrophobicContact CD2-CE2 4.11Å; L131-F134 HydrophobicContact CD2-CG 4.46Å; L131-F134 PolarHBondContact O-N 3.1Å; S132-F134 VanDerWaalsContact C-N 3.29Å; S132-F134 PolarHBondContact O-N 3.33Å; F134-L136 PolarHBondContact O-N 3.02Å |
| 135 | D | 72.9 | Confident | 67.2 | Low | 97 Ų | 97 | 117.8 Ų | 117.8 | 52% | 0.519 | 66% | 0.66 | S | S | . | * | | | trans | -66 | 90.1 | 169.5 | 178.4 | 8.4 | 0 | 0 | 0 | 111.6 | D133 E137 S138 | D133-D135 PolarHBondContact O-N 3.09Å; D135-E137 VanDerWaalsContact C-N 3.28Å; D135-E137 WeakPolarHBondContact OD1-CA 3.48Å; D135-E137 WeakPolarHBondContact OD1-CB 3.21Å; D135-E137 PolarHBondContact OD1-N 3.27Å; D135-S138 PolarHBondContact OD1-N 2.72Å; D135-S138 WeakPolarHBondContact OD2-CB 3.4Å; D135-S138 PolarHBondContact OD2-OG 2.91Å |
| 136 | L | 69.6 | Low | 66.3 | Low | 112 Ų | 112 | 120.6 Ų | 120.6 | 59% | 0.586 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -75.3 | -14.5 | 172.8 | -64.4 | 174.4 | 0 | 0 | 0 | 113 | F134 L139 I140 | F134-L136 PolarHBondContact O-N 3.02Å; L136-L139 HydrophobicContact CD2-CD2 4.5Å; L136-L139 PolarHBondContact O-N 3.31Å; L136-I140 WeakPolarHBondContact O-CG1 3.45Å; L136-I140 PolarHBondContact O-N 2.91Å |
| 137 | E | 64.6 | Low | 65.3 | Low | 165 Ų | 165 | 121.5 Ų | 121.5 | 77% | 0.771 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -76 | -40.3 | -179.2 | -165.1 | 159.6 | -142.1 | 0 | 0 | 110.4 | D135 L139 I140 G141 | D135-E137 VanDerWaalsContact C-N 3.28Å; D135-E137 WeakPolarHBondContact OD1-CA 3.48Å; D135-E137 WeakPolarHBondContact OD1-CB 3.21Å; D135-E137 PolarHBondContact OD1-N 3.27Å; E137-L139 VanDerWaalsContact C-N 3.29Å; E137-L139 PolarHBondContact O-N 3.22Å; E137-I140 PolarHBondContact O-N 3.03Å; E137-G141 PolarHBondContact O-N 3.28Å |
| 138 | S | 66.2 | Low | 63.8 | Low | 76 Ų | 76 | 118.7 Ų | 118.7 | 53% | 0.531 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -58.7 | -35.5 | 168.8 | -77.1 | 0 | 0 | 0 | 0 | 113.6 | D135 S142 | D135-S138 PolarHBondContact OD1-N 2.72Å; D135-S138 WeakPolarHBondContact OD2-CB 3.4Å; D135-S138 PolarHBondContact OD2-OG 2.91Å; S138-S142 PolarHBondContact O-OG 2.95Å |
| 139 | L | 65 | Low | 62.6 | Low | 121 Ų | 121 | 115.1 Ų | 115.1 | 63% | 0.634 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -69.5 | -43.6 | 178.5 | -178.3 | 61.2 | 0 | 0 | 0 | 111.9 | L136 E137 | L136-L139 HydrophobicContact CD2-CD2 4.5Å; L136-L139 PolarHBondContact O-N 3.31Å; E137-L139 VanDerWaalsContact C-N 3.29Å; E137-L139 PolarHBondContact O-N 3.22Å |
| 140 | I | 61.8 | Low | 61.6 | Low | 128 Ų | 128 | 111.4 Ų | 111.4 | 66% | 0.656 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -73.8 | -35.4 | 179.8 | -64.6 | 169.3 | 0 | 0 | 0 | 111 | L136 E137 S142 C143 | L136-I140 WeakPolarHBondContact O-CG1 3.45Å; L136-I140 PolarHBondContact O-N 2.91Å; E137-I140 PolarHBondContact O-N 3.03Å; I140-S142 PolarHBondContact O-N 3.11Å; I140-S142 VanDerWaalsContact O-N 3.1Å; I140-C143 PolarHBondContact O-N 3.35Å; I140-C143 VanDerWaalsContact O-N 3.09Å |
| 141 | G | 54.5 | Low | 61 | Low | 60 Ų | 60 | 111 Ų | 111 | 62% | 0.619 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -60.5 | -18.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | E137 | E137-G141 PolarHBondContact O-N 3.28Å |
| 142 | S | 51.8 | Low | 60.5 | Low | 97 Ų | 97 | 111.2 Ų | 111.2 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -7.2 | 177.2 | -60.8 | 0 | 0 | 0 | 0 | 114.1 | S138 I140 | S138-S142 PolarHBondContact O-OG 2.95Å; I140-S142 PolarHBondContact O-N 3.11Å; I140-S142 VanDerWaalsContact O-N 3.1Å |
| 143 | C | 47.5 | Very low | 60.3 | Low | 108 Ų | 108 | 111.3 Ų | 111.3 | 73% | 0.73 | 65% | 0.651 | S | S | * | * | | | trans | -101.6 | 42.2 | -174.1 | -68.9 | 0 | 0 | 0 | 0 | 114 | I140 | I140-C143 PolarHBondContact O-N 3.35Å; I140-C143 VanDerWaalsContact O-N 3.09Å |
| 144 | S | 46.5 | Very low | 59.9 | Low | 104 Ų | 104 | 109.1 Ų | 109.1 | 73% | 0.727 | 64% | 0.639 | S | S | * | * | | | trans | -148.9 | 128.1 | 162 | -72.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 145 | T | 52.1 | Low | 59.6 | Low | 139 Ų | 139 | 108.5 Ų | 108.5 | 85% | 0.853 | 64% | 0.641 | S | S | * | * | S | Bend | cis | -141 | 139.1 | 17.7 | -32.3 | 0 | 0 | 0 | 0 | 105.9 | | |
| 146 | E | 54.3 | Low | 59.1 | Low | 181 Ų | 181 | 107.1 Ų | 107.1 | 85% | 0.846 | 64% | 0.643 | S | S | * | * | | | | -172.9 | 124.7 | 87 | -177.8 | 167.4 | 172.6 | 0 | 0 | 109.5 | | |
| 147 | S | 53 | Low | 58.7 | Low | 107 Ų | 107 | 106.1 Ų | 106.1 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | | | trans | -95.5 | 122.2 | 176.9 | -55.8 | 0 | 0 | 0 | 0 | 110 | S149 | S147-S149 PolarHBondContact O-N 2.82Š|
| 148 | P | 46.1 | Very low | 58.4 | Low | 89 Ų | 89 | 105.4 Ų | 105.4 | 58% | 0.578 | 65% | 0.646 | S | S | * | * | | | trans | -63.6 | 110.7 | 173.1 | 25.9 | -32.5 | 0 | 0 | 0 | 109 | S150 | P148-S150 PolarHBondContact O-N 2.68Š|
| 149 | S | 54.1 | Low | 57.9 | Low | 123 Ų | 123 | 108.9 Ų | 108.9 | 86% | 0.86 | 66% | 0.659 | S | S | * | * | | | trans | -84.6 | 17.4 | -166.5 | 64.5 | 0 | 0 | 0 | 0 | 115 | S147 | S147-S149 PolarHBondContact O-N 2.82Š|
| 150 | S | 59.2 | Low | 57.5 | Low | 40 Ų | 40 | 107.3 Ų | 107.3 | 28% | 0.28 | 66% | 0.657 | S | S | . | * | | | trans | -151.3 | 142.9 | 173.3 | -170.3 | 0 | 0 | 0 | 0 | 111 | P148 E152 D153 | P148-S150 PolarHBondContact O-N 2.68Å; S150-E152 PolarHBondContact O-N 2.88Å; S150-E152 PolarHBondContact OG-N 3.21Å; S150-D153 WeakPolarHBondContact CB-OD2 3.4Å |
| 151 | P | 63.7 | Low | 57 | Low | 95 Ų | 95 | 109.3 Ų | 109.3 | 62% | 0.617 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -68.4 | -22.1 | 167.7 | 30.1 | -35.3 | 0 | 0 | 0 | 112.7 | L154 | P151-L154 PolarHBondContact O-N 2.93Š|
| 152 | E | 68.4 | Low | 56.8 | Low | 129 Ų | 129 | 113.4 Ų | 113.4 | 60% | 0.603 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -67.5 | -35.5 | -177.7 | -126 | 74.7 | -178 | 0 | 0 | 112.6 | S150 L154 L155 A156 | S150-E152 PolarHBondContact O-N 2.88Å; S150-E152 PolarHBondContact OG-N 3.21Å; E152-L154 VanDerWaalsContact C-N 3.26Å; E152-L154 PolarHBondContact O-N 3.42Å; E152-L155 WeakPolarHBondContact O-CB 3.25Å; E152-L155 PolarHBondContact O-N 2.95Å; E152-L155 VanDerWaalsContact O-N 3.1Å; E152-A156 PolarHBondContact O-N 3.05Å; E152-A156 VanDerWaalsContact O-N 3.12Å |
| 153 | D | 68.6 | Low | 56.5 | Low | 96 Ų | 96 | 115.9 Ų | 115.9 | 51% | 0.513 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -67.1 | -29 | -177.3 | -62 | -42.9 | 0 | 0 | 0 | 112 | S150 L155 A156 S157 | S150-D153 WeakPolarHBondContact CB-OD2 3.4Å; D153-L155 VanDerWaalsContact C-N 3.31Å; D153-A156 PolarHBondContact O-N 2.9Å; D153-S157 PolarHBondContact O-N 3.02Å; D153-S157 VanDerWaalsContact O-N 3.09Å |
| 154 | L | 66 | Low | 56.8 | Low | 100 Ų | 100 | 116.2 Ų | 116.2 | 52% | 0.524 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -68.8 | -30.5 | 174.8 | -63.5 | 176.4 | 0 | 0 | 0 | 112.2 | P151 E152 | P151-L154 PolarHBondContact O-N 2.93Å; E152-L154 VanDerWaalsContact C-N 3.26Å; E152-L154 PolarHBondContact O-N 3.42Å |
| 155 | L | 66.6 | Low | 56.9 | Low | 112 Ų | 112 | 119 Ų | 119 | 59% | 0.586 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -76.1 | -42.7 | 175.1 | -61 | 176.3 | 0 | 0 | 0 | 110.6 | E152 D153 S157 L158 D159 | E152-L155 WeakPolarHBondContact O-CB 3.25Å; E152-L155 PolarHBondContact O-N 2.95Å; E152-L155 VanDerWaalsContact O-N 3.1Å; D153-L155 VanDerWaalsContact C-N 3.31Å; L155-S157 PolarHBondContact O-N 3.27Å; L155-L158 PolarHBondContact O-N 2.66Å; L155-D159 PolarHBondContact O-N 3.47Å |
| 156 | A | 61.1 | Low | 56.7 | Low | 68 Ų | 68 | 117.2 Ų | 117.2 | 56% | 0.562 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -59.6 | -33 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E152 D153 L158 | E152-A156 PolarHBondContact O-N 3.05Å; E152-A156 VanDerWaalsContact O-N 3.12Å; D153-A156 PolarHBondContact O-N 2.9Å; A156-L158 VanDerWaalsContact C-N 3.3Å; A156-L158 PolarHBondContact O-N 2.83Å |
| 157 | S | 61.6 | Low | 56 | Low | 91 Ų | 91 | 116.9 Ų | 116.9 | 64% | 0.636 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -17.2 | 175.7 | -169.6 | 0 | 0 | 0 | 0 | 114.4 | D153 L155 | D153-S157 PolarHBondContact O-N 3.02Å; D153-S157 VanDerWaalsContact O-N 3.09Å; L155-S157 PolarHBondContact O-N 3.27Å |
| 158 | L | 58.8 | Low | 55.3 | Low | 149 Ų | 149 | 118.8 Ų | 118.8 | 78% | 0.78 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -19.8 | 179 | -79.6 | 165.8 | 0 | 0 | 0 | 113.2 | L155 A156 S160 | L155-L158 PolarHBondContact O-N 2.66Å; A156-L158 VanDerWaalsContact C-N 3.3Å; A156-L158 PolarHBondContact O-N 2.83Å; L158-S160 VanDerWaalsContact C-N 3.32Å |
| 159 | D | 55.4 | Low | 54.9 | Low | 150 Ų | 150 | 123.9 Ų | 123.9 | 80% | 0.802 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -81.6 | -9.2 | -177.6 | -156.5 | 45.3 | 0 | 0 | 0 | 113.3 | L155 | L155-D159 PolarHBondContact O-N 3.47Š|
| 160 | S | 56.7 | Low | 53.9 | Low | 87 Ų | 87 | 124 Ų | 124 | 61% | 0.608 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -91.2 | 131.1 | 172.7 | 78 | 0 | 0 | 0 | 0 | 111.9 | L158 | L158-S160 VanDerWaalsContact C-N 3.32Š|
| 161 | H | 51.8 | Low | 52.9 | Low | 171 Ų | 171 | 128.3 Ų | 128.3 | 79% | 0.792 | 70% | 0.699 | S | S | * | * | | | trans | 80.7 | 65.8 | 174.3 | -163.9 | -69.1 | 0 | 0 | 0 | 116.8 | | |
| 162 | M | 49.7 | Very low | 51.5 | Low | 146 Ų | 146 | 128.8 Ų | 128.8 | 72% | 0.719 | 71% | 0.705 | S | S | * | * | | | trans | -140.7 | 66.1 | 148.6 | -85.5 | -68 | 99.3 | 0 | 0 | 110.5 | L164 | M162-L164 HydrophobicContact SD-CD1 3.71Å; M162-L164 HydrophobicContact SD-CG 4.36Å |
| 163 | D | 46.3 | Very low | 49.8 | Very low | 149 Ų | 149 | 127.9 Ų | 127.9 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | | | trans | -90.9 | 105.4 | 169.1 | -172.8 | 14.5 | 0 | 0 | 0 | 109 | | |
| 164 | L | 53.1 | Low | 48.1 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 60% | 0.602 | 73% | 0.732 | S | S | * | * | | | trans | -131.3 | 36 | -170.6 | -72.9 | 179.7 | 0 | 0 | 0 | 113.2 | M162 F167 | M162-L164 HydrophobicContact SD-CD1 3.71Å; M162-L164 HydrophobicContact SD-CG 4.36Å; L164-F167 HydrophobicContact CD2-CE2 4.04Å |
| 165 | D | 49.1 | Very low | 46.7 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | | | trans | -112.3 | 54.7 | -175.4 | -125.9 | -19.1 | 0 | 0 | 0 | 113 | | |
| 166 | S | 46.9 | Very low | 45.2 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | | | trans | -153 | 29.2 | -179.2 | -163.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 167 | F | 39.8 | Very low | 43.6 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | trans | -128.6 | 38.1 | -175.4 | -45.4 | -64.9 | 0 | 0 | 0 | 117.2 | L164 | L164-F167 HydrophobicContact CD2-CE2 4.04Š|
| 168 | D | 38.5 | Very low | 42.8 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | | | trans | -138.5 | 81.3 | 160.8 | -162.8 | -2.6 | 0 | 0 | 0 | 113.9 | | |
| 169 | K | 37.7 | Very low | 41.6 | Very low | 196 Ų | 196 | 141.2 Ų | 141.2 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | | | trans | -159.7 | 92 | 153.9 | -137.7 | 160.4 | -168 | 159.2 | 0 | 114.4 | | |
| 170 | T | 33.8 | Very low | 41.2 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | | | | 156.6 | 102.3 | 127.2 | -65.1 | 0 | 0 | 0 | 0 | 110 | | |
| 171 | V | 37.9 | Very low | 40 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | | | trans | -94.1 | 114.8 | 169.1 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 172 | S | 33 | Very low | 39.4 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | -162.5 | 93.4 | 159.2 | -76.9 | 0 | 0 | 0 | 0 | 106.9 | | |
| 173 | S | 34.2 | Very low | 39.2 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | | 56.8 | 98.6 | 70.5 | -168.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 174 | L | 33.1 | Very low | 38.7 | Very low | 175 Ų | 175 | 136 Ų | 136 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | | | trans | -162 | 160.1 | 141.1 | -110 | 164 | 0 | 0 | 0 | 112.4 | | |
| 175 | H | 36.6 | Very low | 38.4 | Very low | 179 Ų | 179 | 136.6 Ų | 136.6 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | | | trans | -83.9 | 172.3 | -157.7 | -155.9 | -93 | 0 | 0 | 0 | 114.7 | | |
| 176 | I | 33.9 | Very low | 37.7 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | | | trans | -91.6 | 142.8 | -179.9 | -79 | 169.3 | 0 | 0 | 0 | 113 | | |
| 177 | S | 28.7 | Very low | 37.6 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | | | trans | 66.3 | 157 | 160.4 | -79 | 0 | 0 | 0 | 0 | 120.8 | | |
| 178 | P | 44.3 | Very low | 37.1 | Very low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | | | cis | -133.8 | -169.5 | -19.8 | 34.8 | -13.9 | 0 | 0 | 0 | 114.8 | | |
| 179 | E | 34.3 | Very low | 36.9 | Very low | 169 Ų | 169 | 136 Ų | 136 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | trans | -54.6 | 164.2 | 176.4 | -122.8 | -175.8 | 137.9 | 0 | 0 | 116.5 | | |
| 180 | P | 45.9 | Very low | 37.8 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | | | | -152 | 158.5 | 71.9 | 40.8 | -20.9 | 0 | 0 | 0 | 120.4 | | |
| 181 | D | 31.5 | Very low | 38.5 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | | | trans | 60.3 | 114.2 | 141 | -74.1 | -48.1 | 0 | 0 | 0 | 125 | | |
| 182 | V | 38.9 | Very low | 38.1 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | | | | 62 | 142.2 | 120.9 | 177.4 | 0 | 0 | 0 | 0 | 121 | | |
| 183 | P | 45.5 | Very low | 38.3 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | cis | -131.9 | -174.8 | -18.6 | 38.5 | -19.4 | 0 | 0 | 0 | 116.1 | | |
| 184 | S | 36.5 | Very low | 38.5 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | | | trans | -69.5 | 170.1 | 172.3 | -36.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 185 | P | 46 | Very low | 38.6 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | | -149.6 | 172.7 | 82.4 | 40.8 | -22.7 | 0 | 0 | 0 | 118.3 | | |
| 186 | L | 35 | Very low | 38.6 | Very low | 161 Ų | 161 | 133.6 Ų | 133.6 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | | | trans | -71 | 175.3 | 163.2 | -117.7 | 73.8 | 0 | 0 | 0 | 111.8 | | |
| 187 | P | 45.3 | Very low | 38.5 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | | | cis | -118.8 | -159.2 | 28.1 | 33.6 | -11 | 0 | 0 | 0 | 112.8 | | |
| 188 | E | 28.4 | Very low | 38.6 | Very low | 179 Ų | 179 | 133 Ų | 133 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | | | cis | -163.5 | 169.2 | 25.4 | -159.7 | 161 | -152.4 | 0 | 0 | 112.5 | | |
| 189 | V | 33.8 | Very low | 37.9 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | | | trans | -155.3 | 153.8 | -166.1 | 173.4 | 0 | 0 | 0 | 0 | 111 | | |
| 190 | P | 57 | Low | 37.6 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | | | cis | -107 | -97.5 | -10 | 25.2 | -2.5 | 0 | 0 | 0 | 112.1 | | |
| 191 | P | 47.9 | Very low | 37 | Very low | 110 Ų | 110 | 133 Ų | 133 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | | | cis | -124.1 | 145.4 | -7.4 | 38.3 | -20.5 | 0 | 0 | 0 | 117.7 | | |
| 192 | V | 30.4 | Very low | 37 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | | | trans | 36.7 | 121.9 | 143 | -175.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 193 | S | 36.3 | Very low | 36.8 | Very low | 120 Ų | 120 | 139 Ų | 139 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | | -155 | 139.6 | 128.7 | 61.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 194 | E | 39.5 | Very low | 36 | Very low | 175 Ų | 175 | 138.9 Ų | 138.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -104.8 | 154.6 | -176 | -64.5 | 153.4 | -160.3 | 0 | 0 | 111.3 | | |
| 195 | D | 35.4 | Very low | 35.9 | Very low | 168 Ų | 168 | 142.2 Ų | 142.2 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | | | trans | -163.3 | 144.2 | 148 | -124.7 | -27.8 | 0 | 0 | 0 | 112.2 | | |
| 196 | E | 36.1 | Very low | 35.2 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | trans | -144 | 117.8 | -174.4 | -179.3 | -161.8 | -163.8 | 0 | 0 | 111.7 | | |
| 197 | V | 31.7 | Very low | 35 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | | | trans | -144.7 | 82.6 | 166.5 | -161.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 198 | V | 30.3 | Very low | 34.1 | Very low | 100 Ų | 100 | 148.5 Ų | 148.5 | 61% | 0.606 | 80% | 0.796 | S | S | * | * | | | | 10.1 | 149.2 | 129.8 | 170.2 | 0 | 0 | 0 | 0 | 121.4 | | |
| 199 | L | 30.6 | Very low | 35 | Very low | 174 Ų | 174 | 145.3 Ų | 145.3 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | | | trans | 80.1 | 140.7 | 169.5 | -76 | 155.9 | 0 | 0 | 0 | 118.2 | | |
| 200 | G | 28.6 | Very low | 34.7 | Very low | 63 Ų | 63 | 145 Ų | 145 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | | | cis | 169.6 | 178.6 | -5.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 201 | Q | 32.7 | Very low | 33.7 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | | | trans | 71.1 | 108.7 | 171.3 | -147.8 | 170.4 | 11.9 | 0 | 0 | 116.2 | | |
| 202 | E | 31.8 | Very low | 33.6 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | | | | 77.5 | 116.2 | 52.6 | -169.6 | -123.8 | 154.4 | 0 | 0 | 114.9 | | |
| 203 | R | 33.2 | Very low | 33.5 | Very low | 234 Ų | 234 | 148.4 Ų | 148.4 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | | | trans | -153.2 | 136 | 133.1 | -75 | -146.2 | 173.9 | -178.5 | -0.2 | 111.9 | | |
| 204 | V | 29 | Very low | 33.9 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 71% | 0.709 | 80% | 0.798 | S | S | * | * | | | trans | -112.5 | 142.6 | 174.3 | 172.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 205 | L | 34.7 | Very low | 33.4 | Very low | 182 Ų | 182 | 144.3 Ų | 144.3 | 95% | 0.953 | 79% | 0.793 | S | S | * | * | | | trans | -140.3 | 145.3 | 158.2 | -75.4 | -178.9 | 0 | 0 | 0 | 111.1 | | |
| 206 | K | 31.4 | Very low | 33.2 | Very low | 201 Ų | 201 | 141.5 Ų | 141.5 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | trans | -154.3 | 134.3 | -175.4 | 171.1 | 172.8 | 178.5 | 171 | 0 | 110.8 | | |
| 207 | S | 30.1 | Very low | 33 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | trans | -161.9 | 130.3 | 171.4 | 54.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 208 | K | 27.6 | Very low | 33.6 | Very low | 202 Ų | 202 | 139.1 Ų | 139.1 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | | | trans | -170.8 | 154.3 | 166 | 174.6 | 168.3 | -176.9 | 173.6 | 0 | 106.1 | | |
| 209 | P | 47.8 | Very low | 33.7 | Very low | 113 Ų | 113 | 139 Ų | 139 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | | | cis | -120.3 | -177.4 | -5.8 | 35.5 | -18.7 | 0 | 0 | 0 | 114.2 | | |
| 210 | S | 27.5 | Very low | 33.9 | Very low | 118 Ų | 118 | 136 Ų | 136 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | -162.4 | 156.8 | 133.8 | -160.7 | 0 | 0 | 0 | 0 | 112 | | |
| 211 | S | 35.3 | Very low | 35 | Very low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | -154.2 | 150.9 | 167 | 58.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 212 | P | 44.9 | Very low | 35 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -143.1 | 160.9 | 144 | 35.5 | -19.7 | 0 | 0 | 0 | 115 | | |
| 213 | H | 29.7 | Very low | 35.2 | Very low | 181 Ų | 181 | 139.5 Ų | 139.5 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | | | trans | -90.7 | -176.2 | 167.9 | -135 | -135.2 | 0 | 0 | 0 | 109.5 | | |
| 214 | P | 43.5 | Very low | 35.4 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | | | cis | -139.4 | -169.6 | 0.4 | 42.9 | -24.2 | 0 | 0 | 0 | 116.3 | | |
| 215 | S | 29.8 | Very low | 36 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | | | trans | 93.4 | 113.8 | 146.2 | -161.1 | 0 | 0 | 0 | 0 | 121.3 | | |
| 216 | S | 31.2 | Very low | 36.3 | Very low | 109 Ų | 109 | 136.5 Ų | 136.5 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | | | | 152.8 | 144.8 | 106.5 | 59.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 217 | S | 32.1 | Very low | 36.9 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | | | trans | -134.6 | 139.6 | 177.2 | -50.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 218 | P | 44.3 | Very low | 37.2 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | -141.4 | 162.1 | 138.4 | 35.8 | -21.9 | 0 | 0 | 0 | 112.2 | | |
| 219 | A | 32 | Very low | 37.9 | Very low | 96 Ų | 96 | 129.5 Ų | 129.5 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | | | cis | -163.2 | 162.5 | -16.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 220 | S | 35.8 | Very low | 37.5 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | | | trans | -81.5 | 166.8 | 179.3 | -44.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 221 | P | 51.7 | Low | 38 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | | -134.1 | 131.1 | 100.8 | 35.7 | -25.5 | 0 | 0 | 0 | 112.2 | | |
| 222 | A | 32.2 | Very low | 38.1 | Very low | 88 Ų | 88 | 134.4 Ų | 134.4 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | | 80.4 | 103.7 | 59.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 223 | Y | 35.8 | Very low | 37.6 | Very low | 230 Ų | 230 | 134.4 Ų | 134.4 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | | | trans | -141.3 | 143.1 | 147.8 | -149.9 | -88.6 | 0 | 0 | 0 | 108.9 | | |
| 224 | T | 36.8 | Very low | 38 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 68% | 0.681 | 80% | 0.8 | S | S | * | * | | | trans | -117.2 | 142.1 | -163.8 | 49.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 225 | L | 42.1 | Very low | 37.7 | Very low | 180 Ų | 180 | 134.7 Ų | 134.7 | 94% | 0.942 | 81% | 0.805 | S | S | * | * | | | trans | -137.9 | 153.9 | 145.3 | -77.6 | -176.5 | 0 | 0 | 0 | 109.3 | | |
| 226 | E | 40.8 | Very low | 38 | Very low | 180 Ų | 180 | 136.3 Ų | 136.3 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | | | trans | -137.2 | 109.8 | -153.2 | 174.4 | -166 | 159.6 | 0 | 0 | 110.3 | | |
| 227 | L | 44.8 | Very low | 38.1 | Very low | 182 Ų | 182 | 137.3 Ų | 137.3 | 95% | 0.953 | 80% | 0.803 | S | S | * | * | | | trans | -157.8 | 144.2 | 159.3 | -70.9 | -176.3 | 0 | 0 | 0 | 107.8 | | |
| 228 | G | 36.5 | Very low | 38.2 | Very low | 75 Ų | 75 | 138 Ų | 138 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | cis | 160.3 | 32.3 | -4.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 229 | S | 41.9 | Very low | 37.8 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -156.3 | 124 | 170.4 | 60 | 0 | 0 | 0 | 0 | 113.6 | | |
| 230 | E | 39.1 | Very low | 38 | Very low | 181 Ų | 181 | 139.9 Ų | 139.9 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | -106.8 | 132.8 | 174.1 | 173.9 | -168.8 | 145.8 | 0 | 0 | 109.2 | | |
| 231 | V | 37.2 | Very low | 38 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -144 | 114.6 | 162 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | V233 | V231-V233 HydrophobicContact CG1-CG2 4.48Š|
| 232 | D | 38.1 | Very low | 37 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 68% | 0.684 | 78% | 0.779 | S | S | * | * | | | trans | -101.6 | 125.4 | 174 | 169.8 | 28.6 | 0 | 0 | 0 | 110.5 | L234 | D232-L234 PolarHBondContact OD1-N 3.18Š|
| 233 | V | 34.2 | Very low | 37.1 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | trans | -144.7 | 82.8 | 162.4 | -169.2 | 0 | 0 | 0 | 0 | 111.1 | V231 | V231-V233 HydrophobicContact CG1-CG2 4.48Š|
| 234 | L | 38.2 | Very low | 36.8 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | | | trans | 48.1 | 118.5 | 136.8 | -62.6 | 173.8 | 0 | 0 | 0 | 120.8 | D232 | D232-L234 PolarHBondContact OD1-N 3.18Š|
| 235 | D | 38.1 | Very low | 36.9 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | trans | -64.8 | 137.3 | 162 | 176.9 | 18.4 | 0 | 0 | 0 | 113 | E237 | D235-E237 PolarHBondContact OD1-N 3.49Š|
| 236 | V | 36.2 | Very low | 36.5 | Very low | 137 Ų | 137 | 131 Ų | 131 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | | | trans | -133.7 | 93.1 | 164.2 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 237 | E | 32.2 | Very low | 36.5 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 61% | 0.612 | 77% | 0.768 | S | S | * | * | | | trans | -25.5 | 156.8 | 157.9 | -149.6 | -147.5 | 157.2 | 0 | 0 | 117.5 | D235 | D235-E237 PolarHBondContact OD1-N 3.49Š|
| 238 | K | 34.8 | Very low | 36 | Very low | 137 Ų | 137 | 128.5 Ų | 128.5 | 60% | 0.596 | 76% | 0.763 | S | S | * | * | | | trans | 82 | 100.1 | 140 | -155.9 | -166.7 | -120.1 | 74.2 | 0 | 118.6 | | |
| 239 | M | 35.1 | Very low | 35.8 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | | | | 170.2 | 119.4 | 94.2 | -166.5 | 78.2 | 78.4 | 0 | 0 | 112.2 | | |
| 240 | S | 36.4 | Very low | 35.5 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | trans | -101 | 144 | 157.1 | 60.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 241 | P | 36.2 | Very low | 36.2 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | | | | -148.4 | 134 | 118.2 | 34.5 | -17.5 | 0 | 0 | 0 | 116.6 | | |
| 242 | S | 30.4 | Very low | 36.4 | Very low | 105 Ų | 105 | 126.3 Ų | 126.3 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | | | | 57.9 | 108 | 126.4 | -169.4 | 0 | 0 | 0 | 0 | 122.2 | | |
| 243 | V | 34.9 | Very low | 36.2 | Very low | 128 Ų | 128 | 128.6 Ų | 128.6 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | | 53.7 | 120.7 | 127.7 | -174.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 244 | A | 29.4 | Very low | 36.8 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | | | trans | -148.3 | 92.4 | 146.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A246 | A244-A246 PolarHBondContact O-N 2.87Š|
| 245 | T | 39 | Very low | 36.7 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | | | trans | -81.5 | 110.3 | 171 | -57.3 | 0 | 0 | 0 | 0 | 109.9 | I247 | T245-I247 HydrophobicContact CG2-CG1 4.44Š|
| 246 | A | 33.2 | Very low | 37.1 | Very low | 89 Ų | 89 | 132 Ų | 132 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | | | trans | -110.5 | 101.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | A244 | A244-A246 PolarHBondContact O-N 2.87Š|
| 247 | I | 39.8 | Very low | 37 | Very low | 147 Ų | 147 | 130.8 Ų | 130.8 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | | | trans | -83.1 | 121 | 169.8 | -60.4 | 168.7 | 0 | 0 | 0 | 108 | T245 | T245-I247 HydrophobicContact CG2-CG1 4.44Š|
| 248 | I | 34.4 | Very low | 37.6 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | | | trans | -127.4 | 134.1 | 166.4 | -62.6 | -176.5 | 0 | 0 | 0 | 108.5 | | |
| 249 | S | 32.3 | Very low | 38 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | -102.8 | 114.2 | -166.2 | -63.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 250 | N | 36 | Very low | 38.8 | Very low | 155 Ų | 155 | 125.6 Ų | 125.6 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | | | trans | 66.7 | -175.7 | 144.8 | -132.5 | -2.8 | 0 | 0 | 0 | 115.2 | | |
| 251 | P | 54.9 | Low | 39.6 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 62% | 0.623 | 75% | 0.752 | S | S | * | * | | | | -124.3 | 177.1 | -114.4 | 41.6 | -25.9 | 0 | 0 | 0 | 114.9 | | |
| 252 | S | 40.8 | Very low | 40.2 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | trans | 92.8 | 89.2 | 171.2 | -35.2 | 0 | 0 | 0 | 0 | 115.6 | | |
| 253 | E | 33.9 | Very low | 40.9 | Very low | 177 Ų | 177 | 127 Ų | 127 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | | | trans | -155.3 | 145 | 132.7 | -119.6 | 170.8 | -162 | 0 | 0 | 110.2 | | |
| 254 | I | 45.8 | Very low | 41.1 | Very low | 165 Ų | 165 | 125.7 Ų | 125.7 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | | | trans | -93.9 | 102.8 | -179.6 | -63.1 | 171.4 | 0 | 0 | 0 | 107.9 | | |
| 255 | L | 37.6 | Very low | 42.3 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 69% | 0.691 | 72% | 0.722 | S | S | * | * | | | trans | -124.6 | 126.2 | 170.3 | -68.8 | 177.6 | 0 | 0 | 0 | 110.1 | T257 | L255-T257 PolarHBondContact O-N 3.01Š|
| 256 | Q | 45.1 | Very low | 42.9 | Very low | 193 Ų | 193 | 125.8 Ų | 125.8 | 90% | 0.902 | 73% | 0.726 | S | S | * | * | | | trans | -76.5 | 86.6 | 178.4 | -69.7 | 175.3 | -31.6 | 0 | 0 | 110.2 | | |
| 257 | T | 34.8 | Very low | 43.7 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | | | trans | -90.4 | 104.7 | 174 | 50.6 | 0 | 0 | 0 | 0 | 111 | L255 S259 | L255-T257 PolarHBondContact O-N 3.01Å; T257-S259 VanDerWaalsContact C-N 3.31Å; T257-S259 PolarHBondContact O-N 3.31Å |
| 258 | T | 45.1 | Very low | 44.2 | Very low | 148 Ų | 148 | 124.3 Ų | 124.3 | 91% | 0.908 | 72% | 0.718 | S | S | * | * | | | trans | -78.9 | 74.4 | 179.7 | 57.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 259 | S | 43.8 | Very low | 44.9 | Very low | 76 Ų | 76 | 125.4 Ų | 125.4 | 53% | 0.531 | 72% | 0.72 | S | S | . | * | | | trans | -141 | 131.5 | 177.8 | 53.1 | 0 | 0 | 0 | 0 | 110.8 | T257 I261 | T257-S259 VanDerWaalsContact C-N 3.31Å; T257-S259 PolarHBondContact O-N 3.31Å; S259-I261 PolarHBondContact O-N 3.46Å |
| 260 | P | 50.8 | Low | 45.8 | Very low | 89 Ų | 89 | 126.1 Ų | 126.1 | 58% | 0.578 | 71% | 0.71 | S | S | * | * | | | trans | -66.6 | 131.8 | -179.8 | 28 | -34.2 | 0 | 0 | 0 | 111 | V262 | P260-V262 PolarHBondContact O-N 3.32Š|
| 261 | I | 53.8 | Low | 46.7 | Very low | 137 Ų | 137 | 123.8 Ų | 123.8 | 70% | 0.703 | 70% | 0.701 | S | S | * | * | | | trans | -81.8 | 108.9 | 176.6 | -59 | 175.1 | 0 | 0 | 0 | 108.1 | S259 L263 | S259-I261 PolarHBondContact O-N 3.46Å; I261-L263 HydrophobicContact CG2-CG 4.37Å |
| 262 | V | 48.8 | Very low | 46.6 | Very low | 94 Ų | 94 | 122.9 Ų | 122.9 | 57% | 0.57 | 69% | 0.694 | S | S | * | * | | | trans | -89.8 | 111 | 174.5 | -179.7 | 0 | 0 | 0 | 0 | 109 | P260 V271 | P260-V262 PolarHBondContact O-N 3.32Å; V262-V271 HydrophobicContact CG1-CG1 4.43Å |
| 263 | L | 43.9 | Very low | 47.4 | Very low | 124 Ų | 124 | 122.4 Ų | 122.4 | 65% | 0.649 | 69% | 0.686 | S | S | * | * | | | trans | -91.5 | 117.8 | 171 | -69.3 | 169.4 | 0 | 0 | 0 | 109.1 | I261 | I261-L263 HydrophobicContact CG2-CG 4.37Š|
| 264 | S | 40.8 | Very low | 48 | Very low | 100 Ų | 100 | 120.3 Ų | 120.3 | 70% | 0.699 | 68% | 0.679 | S | S | * | * | | | trans | -104.5 | 117.6 | 173.3 | -176 | 0 | 0 | 0 | 0 | 109.3 | | |
| 265 | L | 54.7 | Low | 48.2 | Very low | 96 Ų | 96 | 117.8 Ų | 117.8 | 50% | 0.503 | 68% | 0.676 | S | S | . | * | | | trans | -91.8 | 145.1 | 171.5 | -80 | 71.8 | 0 | 0 | 0 | 109.1 | T267 | L265-T267 PolarHBondContact O-N 2.92Å; L265-T267 VanDerWaalsContact O-N 3.09Å |
| 266 | P | 50.3 | Low | 48.5 | Very low | 133 Ų | 133 | 118.5 Ų | 118.5 | 86% | 0.864 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -79.2 | 15 | -172.4 | 33.4 | -37.7 | 0 | 0 | 0 | 114.5 | | |
| 267 | T | 50.4 | Low | 48.7 | Very low | 118 Ų | 118 | 119.1 Ų | 119.1 | 72% | 0.724 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -151.4 | 121.7 | 178.6 | -41.1 | 0 | 0 | 0 | 0 | 109.3 | L265 | L265-T267 PolarHBondContact O-N 2.92Å; L265-T267 VanDerWaalsContact O-N 3.09Å |
| 268 | S | 49.3 | Very low | 49.2 | Very low | 87 Ų | 87 | 120.7 Ų | 120.7 | 61% | 0.608 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 64.5 | 124.8 | -164.4 | -166.5 | 0 | 0 | 0 | 0 | 114.9 | F270 | S268-F270 PolarHBondContact O-N 3.44Š|
| 269 | H | 50.1 | Low | 49.5 | Very low | 187 Ų | 187 | 117.4 Ų | 117.4 | 87% | 0.866 | 67% | 0.673 | S | S | * | * | | | trans | -91 | 94.3 | -179 | -69.3 | -67.6 | 0 | 0 | 0 | 111.4 | | |
| 270 | F | 51.8 | Low | 49.5 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 50% | 0.504 | 69% | 0.688 | S | S | . | * | | | trans | -125.5 | 144.7 | 168.2 | 57.4 | -85.9 | 0 | 0 | 0 | 111.1 | S268 V272 | S268-F270 PolarHBondContact O-N 3.44Å; F270-V272 HydrophobicContact CD2-CG2 4.01Å; F270-V272 HydrophobicContact CE2-CG2 4.24Å |
| 271 | V | 55 | Low | 49.4 | Very low | 107 Ų | 107 | 122.5 Ų | 122.5 | 65% | 0.648 | 69% | 0.694 | S | S | * | * | | | trans | -114.7 | 109.2 | -175.6 | -179.8 | 0 | 0 | 0 | 0 | 109.4 | V262 V273 | V262-V271 HydrophobicContact CG1-CG1 4.43Å; V271-V273 HydrophobicContact CG1-CG2 4.21Å |
| 272 | V | 51.4 | Low | 48.5 | Very low | 77 Ų | 77 | 122.7 Ų | 122.7 | 47% | 0.467 | 70% | 0.697 | S | S | . | * | | | trans | -90.8 | 123.4 | 175 | -174 | 0 | 0 | 0 | 0 | 109.4 | F270 L274 | F270-V272 HydrophobicContact CD2-CG2 4.01Å; F270-V272 HydrophobicContact CE2-CG2 4.24Å; V272-L274 HydrophobicContact CG1-CD2 4.23Å; V272-L274 HydrophobicContact CG1-CG 4.21Å |
| 273 | V | 57.2 | Low | 47.9 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 62% | 0.624 | 71% | 0.714 | S | S | * | * | | | trans | -110.2 | 109 | 176.1 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | V271 | V271-V273 HydrophobicContact CG1-CG2 4.21Š|
| 274 | L | 48.5 | Very low | 47.5 | Very low | 133 Ų | 133 | 125.9 Ų | 125.9 | 70% | 0.696 | 72% | 0.719 | S | S | * | * | | | trans | -97.2 | 128.8 | 174.4 | -63.1 | 175.4 | 0 | 0 | 0 | 110.1 | V272 | V272-L274 HydrophobicContact CG1-CD2 4.23Å; V272-L274 HydrophobicContact CG1-CG 4.21Å |
| 275 | S | 48.7 | Very low | 47.8 | Very low | 112 Ų | 112 | 127 Ų | 127 | 78% | 0.783 | 72% | 0.724 | S | S | * | * | | | trans | -115.4 | 116.2 | 176.1 | 61.2 | 0 | 0 | 0 | 0 | 111 | | |
| 276 | N | 44.4 | Very low | 46.7 | Very low | 148 Ų | 148 | 128 Ų | 128 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | | | trans | -74.4 | 140.8 | -179.1 | -56.8 | 3.7 | 0 | 0 | 0 | 110.8 | | |
| 277 | K | 48.3 | Very low | 46 | Very low | 205 Ų | 205 | 128.6 Ų | 128.6 | 89% | 0.891 | 74% | 0.74 | S | S | * | * | | | trans | -140.7 | 88.9 | 179.7 | -171.8 | 177.1 | 177.8 | 178 | 0 | 112.2 | | |
| 278 | D | 45.2 | Very low | 45.3 | Very low | 146 Ų | 146 | 127.8 Ų | 127.8 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | | | trans | -123.4 | 151.3 | 176.6 | -57.2 | -70.2 | 0 | 0 | 0 | 109.5 | | |
| 279 | A | 52.9 | Low | 44.6 | Very low | 78 Ų | 78 | 132.3 Ų | 132.3 | 65% | 0.645 | 75% | 0.751 | S | S | * | * | | | cis | -170.9 | -169.8 | -18.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 280 | L | 43.4 | Very low | 44 | Very low | 165 Ų | 165 | 128.5 Ų | 128.5 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | | | trans | 79.7 | 155.1 | 160.7 | -59.5 | 161.4 | 0 | 0 | 0 | 118.8 | | |
| 281 | P | 49 | Very low | 43.4 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | cis | -137.2 | 136.3 | -26.7 | 32.1 | -12.9 | 0 | 0 | 0 | 116.6 | | |
| 282 | N | 35 | Very low | 42.9 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | | 41.8 | 110.2 | 129.9 | -166.4 | 19.2 | 0 | 0 | 0 | 121.6 | | |
| 283 | L | 35.5 | Very low | 42.4 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 94% | 0.937 | 77% | 0.772 | S | S | * | * | | | trans | -137.4 | 157.3 | 138.5 | -79.6 | -176 | 0 | 0 | 0 | 109.7 | | |
| 284 | S | 35.1 | Very low | 41.8 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | -113.3 | -171.8 | -159.8 | 74.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 285 | P | 47.9 | Very low | 41.6 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | | | | -106.3 | 158.2 | -121.2 | 39.5 | -29.1 | 0 | 0 | 0 | 115.6 | | |
| 286 | S | 31.7 | Very low | 41.8 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | -142.2 | 111.2 | 168.5 | 60.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 287 | T | 34.9 | Very low | 41.9 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | | | trans | -66.5 | 130.2 | 174.5 | -50.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 288 | S | 36.1 | Very low | 41.5 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | | | trans | -177.6 | 162.2 | 138.2 | 52.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 289 | Q | 33.9 | Very low | 41.3 | Very low | 183 Ų | 183 | 128.1 Ų | 128.1 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | | | trans | 69.7 | 91.4 | 167.9 | -53.6 | -171.6 | 22.2 | 0 | 0 | 117.1 | | |
| 290 | S | 39.1 | Very low | 40.7 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | | | trans | -63.2 | 149.6 | 149.5 | 48.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 291 | S | 38.8 | Very low | 40.9 | Very low | 109 Ų | 109 | 131 Ų | 131 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | trans | -137.5 | 92.9 | 169.3 | -176.4 | 0 | 0 | 0 | 0 | 109 | | |
| 292 | D | 44.7 | Very low | 40.4 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | | | trans | -64.8 | 146.1 | 169.7 | -53.8 | -77.3 | 0 | 0 | 0 | 109.9 | | |
| 293 | S | 39.5 | Very low | 41.1 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | | | trans | -155 | 80 | 176.2 | -72.5 | 0 | 0 | 0 | 0 | 110.4 | S295 | S293-S295 PolarHBondContact O-N 3Š|
| 294 | E | 45.8 | Very low | 41.1 | Very low | 195 Ų | 195 | 123.6 Ų | 123.6 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | | | trans | -55.5 | 117.7 | 162.4 | -74.8 | 165.9 | 66.2 | 0 | 0 | 109.4 | | |
| 295 | S | 44.8 | Very low | 41.6 | Very low | 115 Ų | 115 | 123.6 Ų | 123.6 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -99.4 | 76.3 | 172.3 | -64.3 | 0 | 0 | 0 | 0 | 109.6 | S293 | S293-S295 PolarHBondContact O-N 3Š|
| 296 | D | 52 | Low | 42 | Very low | 144 Ų | 144 | 123.1 Ų | 123.1 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | trans | -70.5 | 133.7 | 160.8 | -179.3 | 22.8 | 0 | 0 | 0 | 109.3 | | |
| 297 | S | 45.8 | Very low | 42.8 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | | | trans | -161.6 | 91.2 | 174 | -79.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 298 | G | 40.3 | Very low | 43.2 | Very low | 66 Ų | 66 | 128.2 Ų | 128.2 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | | | trans | -62 | 147.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | E300 | G298-E300 PolarHBondContact O-N 3.17Š|
| 299 | I | 42.2 | Very low | 43.7 | Very low | 160 Ų | 160 | 134.6 Ų | 134.6 | 82% | 0.821 | 80% | 0.798 | S | S | * | * | | | trans | -76.2 | 78.2 | -178 | 48.4 | 161.2 | 0 | 0 | 0 | 113.7 | S301 | I299-S301 PolarHBondContact O-N 2.91Å; I299-S301 PolarHBondContact O-OG 3.1Å |
| 300 | E | 40.1 | Very low | 44.2 | Very low | 192 Ų | 192 | 132 Ų | 132 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | | | trans | -63.9 | 101.2 | 167.3 | -78.5 | -151.1 | 93.6 | 0 | 0 | 111.3 | G298 A302 | G298-E300 PolarHBondContact O-N 3.17Å; E300-A302 VanDerWaalsContact C-N 3.3Å; E300-A302 PolarHBondContact O-N 3.17Å |
| 301 | S | 47.3 | Very low | 44.3 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | -75.9 | 74.1 | -176.6 | -66.1 | 0 | 0 | 0 | 0 | 112.5 | I299 A303 | I299-S301 PolarHBondContact O-N 2.91Å; I299-S301 PolarHBondContact O-OG 3.1Å; S301-A303 PolarHBondContact O-N 3.12Å; S301-A303 VanDerWaalsContact O-N 3.1Å |
| 302 | A | 37.3 | Very low | 45.2 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | | | trans | -68.7 | 101.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E300 G304 | E300-A302 VanDerWaalsContact C-N 3.3Å; E300-A302 PolarHBondContact O-N 3.17Å; A302-G304 PolarHBondContact O-N 2.83Å |
| 303 | A | 50.6 | Low | 45.5 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | -71.1 | 78.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | S301 S305 | S301-A303 PolarHBondContact O-N 3.12Å; S301-A303 VanDerWaalsContact O-N 3.1Å; A303-S305 PolarHBondContact O-N 3.45Å |
| 304 | G | 34.6 | Very low | 45.3 | Very low | 78 Ų | 78 | 135 Ų | 135 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | -67.3 | 96.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A302 | A302-G304 PolarHBondContact O-N 2.83Š|
| 305 | S | 46.9 | Very low | 45.2 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 138.2 | 171.6 | -69.3 | 0 | 0 | 0 | 0 | 112 | A303 | A303-S305 PolarHBondContact O-N 3.45Š|
| 306 | P | 55.2 | Low | 45.5 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -62 | 142.1 | 179.6 | -24.7 | 34.2 | 0 | 0 | 0 | 113.8 | R308 | P306-R308 PolarHBondContact O-N 3.38Š|
| 307 | P | 48.2 | Very low | 45.1 | Very low | 128 Ų | 128 | 131 Ų | 131 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 124.1 | 179.3 | 26.8 | -33.9 | 0 | 0 | 0 | 111.5 | R309 | P307-R309 PolarHBondContact O-N 2.9Š|
| 308 | R | 44.1 | Very low | 44.9 | Very low | 241 Ų | 241 | 130.2 Ų | 130.2 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 126.3 | 178.3 | -58.1 | -175.9 | -163.1 | -96.5 | 1 | 110.6 | P306 | P306-R308 PolarHBondContact O-N 3.38Š|
| 309 | R | 46.3 | Very low | 45 | Very low | 234 Ų | 234 | 130.3 Ų | 130.3 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 140.7 | 164.7 | -75.3 | 177.4 | 164.9 | -119.5 | -0.1 | 110.3 | P307 | P307-R309 PolarHBondContact O-N 2.9Š|
| 310 | P | 44.3 | Very low | 45 | Very low | 130 Ų | 130 | 128.4 Ų | 128.4 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 136.2 | 172.6 | 28.9 | -33.7 | 0 | 0 | 0 | 111.2 | | |
| 311 | S | 42.3 | Very low | 45.4 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 148.7 | 175.1 | 52.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 312 | P | 56.3 | Low | 45.3 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 71% | 0.714 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 158 | 173.3 | 30.1 | -35.5 | 0 | 0 | 0 | 112.1 | | |
| 313 | P | 51 | Low | 45.8 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 149.1 | -173.6 | 29.7 | -35.7 | 0 | 0 | 0 | 113.9 | | |
| 314 | N | 35.1 | Very low | 45.9 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 140.9 | 177.3 | -69.1 | -21.2 | 0 | 0 | 0 | 112.6 | | |
| 315 | S | 44 | Very low | 46.9 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | | | trans | -130.5 | 139.1 | 157.2 | 62.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 316 | P | 51.8 | Low | 47.1 | Very low | 135 Ų | 135 | 142.4 Ų | 142.4 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | | | trans | -93.6 | 105.4 | -177.4 | 33.6 | -30.9 | 0 | 0 | 0 | 111.4 | | |
| 317 | V | 43.8 | Very low | 46.6 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | | | trans | -125.9 | 141.1 | 174.4 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 318 | A | 41.2 | Very low | 46.9 | Very low | 95 Ų | 95 | 146.1 Ų | 146.1 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -61 | 142.3 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | S320 | A318-S320 PolarHBondContact O-N 2.71Š|
| 319 | G | 42.6 | Very low | 47.3 | Very low | 68 Ų | 68 | 140.7 Ų | 140.7 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | | 58.9 | 60.8 | 124.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | S321 | G319-S321 PolarHBondContact O-N 2.88Š|
| 320 | S | 42.6 | Very low | 47.5 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | | | trans | -69.4 | 91.9 | 168.7 | -168.7 | 0 | 0 | 0 | 0 | 111.8 | A318 R322 | A318-S320 PolarHBondContact O-N 2.71Å; S320-R322 VanDerWaalsContact C-N 3.34Å; S320-R322 PolarHBondContact O-N 3.16Å |
| 321 | S | 47.3 | Very low | 48 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | trans | -75.4 | 81.4 | 175.3 | -66.2 | 0 | 0 | 0 | 0 | 110.8 | G319 T323 | G319-S321 PolarHBondContact O-N 2.88Å; S321-T323 VanDerWaalsContact C-N 3.33Å; S321-T323 PolarHBondContact O-N 3.33Å |
| 322 | R | 46.6 | Very low | 48.6 | Very low | 234 Ų | 234 | 138.6 Ų | 138.6 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | -70.1 | 87.6 | 176.5 | -167.5 | 175.9 | -171.6 | 176.2 | 4.2 | 111 | S320 K324 | S320-R322 VanDerWaalsContact C-N 3.34Å; S320-R322 PolarHBondContact O-N 3.16Å; R322-K324 PolarHBondContact O-N 2.96Å |
| 323 | T | 46.7 | Very low | 48.4 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 133.1 | 170.3 | 46.8 | 0 | 0 | 0 | 0 | 110.3 | S321 | S321-T323 VanDerWaalsContact C-N 3.33Å; S321-T323 PolarHBondContact O-N 3.33Å |
| 324 | K | 54 | Low | 48.4 | Very low | 181 Ų | 181 | 138 Ų | 138 | 79% | 0.787 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 128.6 | 162.6 | -75.5 | -167.1 | 173.6 | -170.1 | 0 | 108.2 | R322 | R322-K324 PolarHBondContact O-N 2.96Š|
| 325 | P | 53.8 | Low | 49.3 | Very low | 103 Ų | 103 | 140 Ų | 140 | 67% | 0.669 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -63.6 | 156.5 | 160.7 | 30.4 | -33.6 | 0 | 0 | 0 | 109.2 | | |
| 326 | Y | 51.7 | Low | 49.6 | Very low | 228 Ų | 228 | 141.4 Ų | 141.4 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | | | trans | 66.7 | 49.9 | -179.3 | -51.5 | -75.6 | 0 | 0 | 0 | 116.7 | | |
| 327 | C | 45.7 | Very low | 49.5 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | | | trans | -81.4 | 113.2 | 144.4 | -76.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 328 | K | 54.6 | Low | 50 | Low | 199 Ų | 199 | 143.5 Ų | 143.5 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | | | trans | -79.8 | 131.5 | 177.9 | -169.5 | 175.2 | -178.1 | -180 | 0 | 109.8 | | |
| 329 | P | 51.1 | Low | 50.4 | Low | 126 Ų | 126 | 145.8 Ų | 145.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -76.3 | 132.6 | 177.3 | 30 | -33.3 | 0 | 0 | 0 | 111.1 | | |
| 330 | E | 51.1 | Low | 51.1 | Low | 181 Ų | 181 | 151 Ų | 151 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | | | trans | -132.7 | 139.7 | 173.5 | -165.6 | 169.7 | -176.8 | 0 | 0 | 108.1 | | |
| 331 | P | 55.7 | Low | 51.3 | Low | 114 Ų | 114 | 150.2 Ų | 150.2 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | | | trans | -70.5 | 157.8 | -164.7 | 25.3 | -34.8 | 0 | 0 | 0 | 114.9 | | |
| 332 | P | 53.6 | Low | 51.7 | Low | 133 Ų | 133 | 152 Ų | 152 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | | | trans | -76.3 | 126 | -170 | 30 | -35.5 | 0 | 0 | 0 | 113.7 | | |
| 333 | S | 52.5 | Low | 52 | Low | 108 Ų | 108 | 145.6 Ų | 145.6 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -110.2 | 156.4 | 165 | 73.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 334 | P | 50.6 | Low | 52.5 | Low | 118 Ų | 118 | 141.4 Ų | 141.4 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | trans | -83.7 | 125.8 | -161.9 | 30.5 | -35 | 0 | 0 | 0 | 115.2 | T336 | P334-T336 PolarHBondContact O-N 3.38Š|
| 335 | K | 54.2 | Low | 52.7 | Low | 211 Ų | 211 | 136.2 Ų | 136.2 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | | | trans | -2.6 | 98.3 | 152.1 | -56.9 | 173 | -174.9 | 174.2 | 0 | 116.5 | | |
| 336 | T | 49.8 | Very low | 53.1 | Low | 129 Ų | 129 | 135.9 Ų | 135.9 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | trans | -101.1 | 142.9 | 151.5 | 53.5 | 0 | 0 | 0 | 0 | 110 | P334 | P334-T336 PolarHBondContact O-N 3.38Š|
| 337 | P | 50.4 | Low | 54 | Low | 118 Ų | 118 | 131.9 Ų | 131.9 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | | | trans | -70.2 | 149.3 | -170.1 | 27.1 | -34.6 | 0 | 0 | 0 | 113.6 | I339 | P337-I339 PolarHBondContact O-N 3.44Š|
| 338 | K | 54.7 | Low | 55.2 | Low | 196 Ų | 196 | 130.8 Ų | 130.8 | 85% | 0.852 | 74% | 0.742 | S | S | * | * | | | trans | -70 | 79.3 | -176.3 | -172.2 | 101.6 | 173.8 | -175.1 | 0 | 112.3 | K340 | K338-K340 PolarHBondContact O-N 2.78Å; K338-K340 VanDerWaalsContact O-N 3.11Å |
| 339 | I | 49.2 | Very low | 56.5 | Low | 144 Ų | 144 | 125.4 Ų | 125.4 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | | | trans | -63.3 | 112.8 | 164.9 | -60.6 | 178.6 | 0 | 0 | 0 | 107.9 | P337 S341 | P337-I339 PolarHBondContact O-N 3.44Å; I339-S341 PolarHBondContact O-N 3.27Å; I339-S341 VanDerWaalsContact O-N 3.08Å |
| 340 | K | 57 | Low | 58 | Low | 177 Ų | 177 | 123.8 Ų | 123.8 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | | | trans | -73.2 | 95.3 | 169.8 | -74.7 | -179.9 | 178 | 176.1 | 0 | 108.2 | K338 V342 | K338-K340 PolarHBondContact O-N 2.78Å; K338-K340 VanDerWaalsContact O-N 3.11Å; K340-V342 VanDerWaalsContact C-N 3.31Å; K340-V342 PolarHBondContact O-N 3.06Å |
| 341 | S | 47.5 | Very low | 59.9 | Low | 103 Ų | 103 | 122.5 Ų | 122.5 | 72% | 0.72 | 70% | 0.699 | S | S | * | * | | | trans | -66.8 | 85.7 | 175.6 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | I339 S343 | I339-S341 PolarHBondContact O-N 3.27Å; I339-S341 VanDerWaalsContact O-N 3.08Å; S341-S343 PolarHBondContact O-N 3.4Å |
| 342 | V | 56 | Low | 61.6 | Low | 146 Ų | 146 | 124.5 Ų | 124.5 | 89% | 0.885 | 70% | 0.696 | S | S | * | * | | | trans | -74.6 | 64.3 | 170.4 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | K340 | K340-V342 VanDerWaalsContact C-N 3.31Å; K340-V342 PolarHBondContact O-N 3.06Å |
| 343 | S | 52.8 | Low | 63.4 | Low | 98 Ų | 98 | 122.7 Ų | 122.7 | 69% | 0.685 | 68% | 0.679 | S | S | * | * | | | trans | -139.1 | 36.2 | 179.1 | -159.2 | 0 | 0 | 0 | 0 | 110.7 | S341 | S341-S343 PolarHBondContact O-N 3.4Š|
| 344 | G | 56.3 | Low | 65.4 | Low | 37 Ų | 37 | 123 Ų | 123 | 38% | 0.381 | 67% | 0.667 | S | S | . | * | | | trans | -97 | -26 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114 | K347 V348 | G344-K347 PolarHBondContact O-N 2.83Å; G344-V348 WeakPolarHBondContact O-CG2 3.47Å; G344-V348 PolarHBondContact O-N 3.43Å |
| 345 | A | 57.7 | Low | 67.6 | Low | 72 Ų | 72 | 124.9 Ų | 124.9 | 60% | 0.595 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -57.8 | -48.4 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | K347 V348 V349 | A345-K347 PolarHBondContact O-N 2.82Å; A345-V348 PolarHBondContact O-N 2.81Å; A345-V348 VanDerWaalsContact O-N 3.15Å; A345-V349 PolarHBondContact O-N 3.09Å |
| 346 | P | 62.2 | Low | 69.5 | Low | 95 Ų | 95 | 120 Ų | 120 | 62% | 0.617 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -61.3 | -45.2 | -179.4 | -22.3 | 34.1 | 0 | 0 | 0 | 112.2 | V348 V349 E350 | P346-V348 PolarHBondContact O-N 2.97Å; P346-V349 PolarHBondContact O-N 3.1Å; P346-E350 WeakPolarHBondContact O-CB 3.37Å; P346-E350 PolarHBondContact O-N 3.36Å |
| 347 | K | 70.4 | Confident | 71.7 | Confident | 145 Ų | 145 | 118.9 Ų | 118.9 | 63% | 0.63 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.8 | -17.5 | 179.5 | -66 | -176.5 | 177.5 | -179.2 | 0 | 113.4 | G344 A345 K351 | G344-K347 PolarHBondContact O-N 2.83Å; A345-K347 PolarHBondContact O-N 2.82Å; K347-K351 WeakPolarHBondContact O-CB 3.47Å; K347-K351 WeakPolarHBondContact O-CD 3.34Å; K347-K351 WeakPolarHBondContact O-CG 3.29Å; K347-K351 PolarHBondContact O-N 3.04Å |
| 348 | V | 72.8 | Confident | 74 | Confident | 97 Ų | 97 | 119.7 Ų | 119.7 | 59% | 0.588 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -82.6 | -41.5 | 171.6 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | G344 A345 P346 K351 K352 | G344-V348 WeakPolarHBondContact O-CG2 3.47Å; G344-V348 PolarHBondContact O-N 3.43Å; A345-V348 PolarHBondContact O-N 2.81Å; A345-V348 VanDerWaalsContact O-N 3.15Å; P346-V348 PolarHBondContact O-N 2.97Å; V348-K351 PolarHBondContact O-N 3.34Å; V348-K352 PolarHBondContact O-N 3.43Å |
| 349 | V | 80 | Confident | 76 | Confident | 86 Ų | 86 | 115.7 Ų | 115.7 | 52% | 0.521 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62.9 | -46.4 | 173.8 | 176 | 0 | 0 | 0 | 0 | 110.8 | A345 P346 K351 K352 L353 | A345-V349 PolarHBondContact O-N 3.09Å; P346-V349 PolarHBondContact O-N 3.1Å; V349-K351 VanDerWaalsContact C-N 3.31Å; V349-K351 PolarHBondContact O-N 2.91Å; V349-K352 WeakPolarHBondContact O-CA 3.3Å; V349-K352 WeakPolarHBondContact O-CB 3.48Å; V349-K352 PolarHBondContact O-N 3.48Å; V349-L353 HydrophobicContact CG1-CD1 4.22Å; V349-L353 HydrophobicContact CG1-CG 4.49Å; V349-L353 WeakPolarHBondContact O-CG 3.25Å; V349-L353 PolarHBondContact O-N 2.97Å |
| 350 | E | 83.6 | Confident | 78.3 | Confident | 91 Ų | 91 | 115 Ų | 115 | 43% | 0.425 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -57.3 | -41.8 | 176.4 | -166.4 | -157.9 | 151.5 | 0 | 0 | 112.1 | P346 L353 K354 | P346-E350 WeakPolarHBondContact O-CB 3.37Å; P346-E350 PolarHBondContact O-N 3.36Å; E350-L353 PolarHBondContact O-N 3.3Å; E350-K354 HydrophobicContact CG-CD 4.41Å; E350-K354 WeakPolarHBondContact O-CB 3.33Å; E350-K354 WeakPolarHBondContact O-CG 3.4Å; E350-K354 PolarHBondContact O-N 3.15Å; E350-K354 WeakPolarHBondContact OE1-CE 3.43Å; E350-K354 IonicContact OE1-NZ 3.89Å; E350-K354 PolarHBondContact OE1-NZ 2.99Å |
| 351 | K | 90.3 | Very high | 80.3 | Confident | 154 Ų | 154 | 109.5 Ų | 109.5 | 67% | 0.67 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.2 | -35.8 | 173.9 | -77 | 174.8 | -177.3 | -172.7 | 0 | 112.9 | K347 V348 V349 K355 | K347-K351 WeakPolarHBondContact O-CB 3.47Å; K347-K351 WeakPolarHBondContact O-CD 3.34Å; K347-K351 WeakPolarHBondContact O-CG 3.29Å; K347-K351 PolarHBondContact O-N 3.04Å; V348-K351 PolarHBondContact O-N 3.34Å; V349-K351 VanDerWaalsContact C-N 3.31Å; V349-K351 PolarHBondContact O-N 2.91Å; K351-K355 WeakPolarHBondContact O-CB 3.27Å; K351-K355 PolarHBondContact O-N 3.17Å |
| 352 | K | 93.2 | Very high | 82.7 | Confident | 157 Ų | 157 | 107.2 Ų | 107.2 | 68% | 0.683 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.9 | -47.9 | 174.1 | -172.7 | -172.6 | 175.3 | -169.5 | 0 | 110.4 | V348 V349 K355 M356 | V348-K352 PolarHBondContact O-N 3.43Å; V349-K352 WeakPolarHBondContact O-CA 3.3Å; V349-K352 WeakPolarHBondContact O-CB 3.48Å; V349-K352 PolarHBondContact O-N 3.48Å; K352-K355 PolarHBondContact O-N 2.85Å; K352-M356 WeakPolarHBondContact O-CB 3.21Å; K352-M356 PolarHBondContact O-N 2.88Å |
| 353 | L | 90.7 | Very high | 84.7 | Confident | 94 Ų | 94 | 102.1 Ų | 102.1 | 49% | 0.492 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 177.5 | -67.7 | 172.7 | 0 | 0 | 0 | 111.4 | V349 E350 K355 M356 E357 | V349-L353 HydrophobicContact CG1-CD1 4.22Å; V349-L353 HydrophobicContact CG1-CG 4.49Å; V349-L353 WeakPolarHBondContact O-CG 3.25Å; V349-L353 PolarHBondContact O-N 2.97Å; E350-L353 PolarHBondContact O-N 3.3Å; L353-K355 VanDerWaalsContact C-N 3.34Å; L353-K355 PolarHBondContact O-N 2.92Å; L353-M356 HydrophobicContact CD2-CE 3.95Å; L353-M356 WeakPolarHBondContact O-CB 3.43Å; L353-M356 PolarHBondContact O-N 3.34Å; L353-M356 VanDerWaalsContact O-N 3.12Å; L353-E357 PolarHBondContact O-N 3.21Å |
| 354 | K | 94.4 | Very high | 86.9 | Confident | 116 Ų | 116 | 101.2 Ų | 101.2 | 50% | 0.504 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 176.8 | -74.7 | 173.8 | 173.4 | 175.3 | 0 | 112.9 | E350 Q358 | E350-K354 HydrophobicContact CG-CD 4.41Å; E350-K354 WeakPolarHBondContact O-CB 3.33Å; E350-K354 WeakPolarHBondContact O-CG 3.4Å; E350-K354 PolarHBondContact O-N 3.15Å; E350-K354 WeakPolarHBondContact OE1-CE 3.43Å; E350-K354 IonicContact OE1-NZ 3.89Å; E350-K354 PolarHBondContact OE1-NZ 2.99Å; K354-Q358 WeakPolarHBondContact O-CB 3.28Å; K354-Q358 WeakPolarHBondContact O-CG 3.25Å; K354-Q358 PolarHBondContact O-N 3.44Å; K354-Q358 VanDerWaalsContact O-N 3.09Å |
| 355 | K | 96.6 | Very high | 88.9 | Confident | 156 Ų | 156 | 108.1 Ų | 108.1 | 68% | 0.678 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -69.5 | -35.8 | 173.8 | -172.3 | 176.4 | -179.6 | -177.3 | 0 | 112.5 | K351 K352 L353 N359 | K351-K355 WeakPolarHBondContact O-CB 3.27Å; K351-K355 PolarHBondContact O-N 3.17Å; K352-K355 PolarHBondContact O-N 2.85Å; L353-K355 VanDerWaalsContact C-N 3.34Å; L353-K355 PolarHBondContact O-N 2.92Å; K355-N359 VanDerWaalsContact O-CB 3.31Å; K355-N359 WeakPolarHBondContact O-CB 3.05Å; K355-N359 PolarHBondContact O-N 2.88Å |
| 356 | M | 95.1 | Very high | 90.8 | Very high | 110 Ų | 110 | 112.9 Ų | 112.9 | 54% | 0.542 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.5 | -46.4 | 176.8 | -169.6 | 175.1 | 81 | 0 | 0 | 110.9 | K352 L353 N359 K360 | K352-M356 WeakPolarHBondContact O-CB 3.21Å; K352-M356 PolarHBondContact O-N 2.88Å; L353-M356 HydrophobicContact CD2-CE 3.95Å; L353-M356 WeakPolarHBondContact O-CB 3.43Å; L353-M356 PolarHBondContact O-N 3.34Å; L353-M356 VanDerWaalsContact O-N 3.12Å; M356-N359 PolarHBondContact O-N 3.09Å; M356-K360 PolarHBondContact O-N 3.04Å |
| 357 | E | 95.6 | Very high | 92.6 | Very high | 104 Ų | 104 | 117.1 Ų | 117.1 | 49% | 0.486 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66 | -41.9 | 178.2 | -164.2 | 55.4 | -112.6 | 0 | 0 | 112.5 | L353 N359 K360 T361 | L353-E357 PolarHBondContact O-N 3.21Å; E357-N359 VanDerWaalsContact C-N 3.28Å; E357-N359 PolarHBondContact O-N 3.03Å; E357-K360 PolarHBondContact O-N 3.36Å; E357-T361 WeakPolarHBondContact O-CB 3.45Å; E357-T361 PolarHBondContact O-N 3.46Å; E357-T361 PolarHBondContact O-OG1 2.94Å |
| 358 | Q | 97.5 | Very high | 93.9 | Very high | 136 Ų | 136 | 115.1 Ų | 115.1 | 64% | 0.636 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -59.9 | -38.5 | 172 | -75.5 | 171.9 | -11.9 | 0 | 0 | 112 | K354 A362 | K354-Q358 WeakPolarHBondContact O-CB 3.28Å; K354-Q358 WeakPolarHBondContact O-CG 3.25Å; K354-Q358 PolarHBondContact O-N 3.44Å; K354-Q358 VanDerWaalsContact O-N 3.09Å; Q358-A362 WeakPolarHBondContact O-CB 3.3Å; Q358-A362 PolarHBondContact O-N 2.57Å |
| 359 | N | 96.9 | Very high | 95.2 | Very high | 111 Ų | 111 | 117.1 Ų | 117.1 | 59% | 0.594 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -73.9 | -38.7 | 177.8 | -175.7 | -125.8 | 0 | 0 | 0 | 112.5 | K355 M356 E357 A362 A363 | K355-N359 VanDerWaalsContact O-CB 3.31Å; K355-N359 WeakPolarHBondContact O-CB 3.05Å; K355-N359 PolarHBondContact O-N 2.88Å; M356-N359 PolarHBondContact O-N 3.09Å; E357-N359 VanDerWaalsContact C-N 3.28Å; E357-N359 PolarHBondContact O-N 3.03Å; N359-A362 PolarHBondContact O-N 2.96Å; N359-A363 VanDerWaalsContact O-CB 3.26Å; N359-A363 WeakPolarHBondContact O-CB 3.15Å; N359-A363 PolarHBondContact O-N 2.98Å |
| 360 | K | 98.4 | Very high | 96 | Very high | 131 Ų | 131 | 117 Ų | 117 | 57% | 0.57 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -57.5 | -53.6 | 170.6 | -174.3 | 177.5 | -179.3 | 178.3 | 0 | 110.2 | M356 E357 A362 A363 T364 | M356-K360 PolarHBondContact O-N 3.04Å; E357-K360 PolarHBondContact O-N 3.36Å; K360-A362 PolarHBondContact O-N 3.37Å; K360-A363 PolarHBondContact O-N 3.39Å; K360-T364 PolarHBondContact O-N 2.98Å; K360-T364 PolarHBondContact O-OG1 3.46Å |
| 361 | T | 97.7 | Very high | 96.8 | Very high | 61 Ų | 61 | 119.9 Ų | 119.9 | 37% | 0.374 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -57.4 | -45 | 177.8 | -59.1 | 0 | 0 | 0 | 0 | 112.3 | E357 R365 | E357-T361 WeakPolarHBondContact O-CB 3.45Å; E357-T361 PolarHBondContact O-N 3.46Å; E357-T361 PolarHBondContact O-OG1 2.94Å; T361-R365 WeakPolarHBondContact O-CB 3.46Å; T361-R365 WeakPolarHBondContact O-CG 3.41Å; T361-R365 PolarHBondContact O-N 2.83Å |
| 362 | A | 98.1 | Very high | 97.2 | Very high | 54 Ų | 54 | 116 Ų | 116 | 45% | 0.446 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q358 N359 K360 R365 Y366 | Q358-A362 WeakPolarHBondContact O-CB 3.3Å; Q358-A362 PolarHBondContact O-N 2.57Å; N359-A362 PolarHBondContact O-N 2.96Å; K360-A362 PolarHBondContact O-N 3.37Å; A362-R365 PolarHBondContact O-N 3.44Å; A362-Y366 WeakPolarHBondContact O-CB 3.26Å; A362-Y366 PolarHBondContact O-N 2.96Å |
| 363 | A | 98.5 | Very high | 97.4 | Very high | 40 Ų | 40 | 111.7 Ų | 111.7 | 33% | 0.331 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | N359 K360 Y366 R367 | N359-A363 VanDerWaalsContact O-CB 3.26Å; N359-A363 WeakPolarHBondContact O-CB 3.15Å; N359-A363 PolarHBondContact O-N 2.98Å; K360-A363 PolarHBondContact O-N 3.39Å; A363-Y366 PolarHBondContact O-N 3.27Å; A363-R367 WeakPolarHBondContact O-CB 3.32Å; A363-R367 WeakPolarHBondContact O-CG 3.15Å; A363-R367 PolarHBondContact O-N 2.88Å |
| 364 | T | 98.4 | Very high | 97.8 | Very high | 78 Ų | 78 | 112.4 Ų | 112.4 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 174.6 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | K360 Y366 R367 Q368 | K360-T364 PolarHBondContact O-N 2.98Å; K360-T364 PolarHBondContact O-OG1 3.46Å; T364-Y366 VanDerWaalsContact C-N 3.34Å; T364-Y366 PolarHBondContact O-N 2.95Å; T364-R367 PolarHBondContact O-N 3.44Å; T364-Q368 VanDerWaalsContact O-CB 3.31Å; T364-Q368 WeakPolarHBondContact O-CB 3.32Å; T364-Q368 PolarHBondContact O-N 2.97Å |
| 365 | R | 98.7 | Very high | 98 | Very high | 182 Ų | 182 | 112.6 Ų | 112.6 | 69% | 0.687 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.6 | -39 | 176.6 | -75.2 | -177.2 | 178.5 | -158.4 | -1.7 | 112.9 | T361 A362 K369 | T361-R365 WeakPolarHBondContact O-CB 3.46Å; T361-R365 WeakPolarHBondContact O-CG 3.41Å; T361-R365 PolarHBondContact O-N 2.83Å; A362-R365 PolarHBondContact O-N 3.44Å; R365-K369 WeakPolarHBondContact O-CB 3.02Å; R365-K369 PolarHBondContact O-N 3.36Å |
| 366 | Y | 98.6 | Very high | 98.1 | Very high | 172 Ų | 172 | 111.4 Ų | 111.4 | 68% | 0.675 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.4 | -48.9 | 175.5 | 177.8 | -97.2 | 0 | 0 | 0 | 111.9 | A362 A363 T364 Q368 K369 K370 | A362-Y366 WeakPolarHBondContact O-CB 3.26Å; A362-Y366 PolarHBondContact O-N 2.96Å; A363-Y366 PolarHBondContact O-N 3.27Å; T364-Y366 VanDerWaalsContact C-N 3.34Å; T364-Y366 PolarHBondContact O-N 2.95Å; Y366-Q368 VanDerWaalsContact C-N 3.33Å; Y366-Q368 PolarHBondContact O-N 3.35Å; Y366-K369 PolarHBondContact O-N 3.46Å; Y366-K370 PolarHBondContact O-N 3.48Å |
| 367 | R | 98.5 | Very high | 98.3 | Very high | 185 Ų | 185 | 110.1 Ų | 110.1 | 70% | 0.698 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.7 | -42.3 | 175.9 | -74 | 176.1 | 174.6 | -173.3 | -2.5 | 111.8 | A363 T364 K370 R371 | A363-R367 WeakPolarHBondContact O-CB 3.32Å; A363-R367 WeakPolarHBondContact O-CG 3.15Å; A363-R367 PolarHBondContact O-N 2.88Å; T364-R367 PolarHBondContact O-N 3.44Å; R367-K370 PolarHBondContact O-N 2.89Å; R367-R371 WeakPolarHBondContact O-CG 3.48Å; R367-R371 PolarHBondContact O-N 3.34Å |
| 368 | Q | 98.8 | Very high | 98.4 | Very high | 103 Ų | 103 | 107.9 Ų | 107.9 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.4 | -48.9 | 176.9 | -175.5 | 179.2 | 4.4 | 0 | 0 | 111.4 | T364 Y366 K370 R371 V372 | T364-Q368 VanDerWaalsContact O-CB 3.31Å; T364-Q368 WeakPolarHBondContact O-CB 3.32Å; T364-Q368 PolarHBondContact O-N 2.97Å; Y366-Q368 VanDerWaalsContact C-N 3.33Å; Y366-Q368 PolarHBondContact O-N 3.35Å; Q368-K370 VanDerWaalsContact C-N 3.32Å; Q368-K370 PolarHBondContact O-N 2.88Å; Q368-R371 PolarHBondContact O-N 3.3Å; Q368-V372 WeakPolarHBondContact O-CG2 3.49Å; Q368-V372 PolarHBondContact O-N 3.41Å |
| 369 | K | 98.6 | Very high | 98.4 | Very high | 138 Ų | 138 | 104.4 Ų | 104.4 | 60% | 0.6 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -56.1 | -48.5 | 175.6 | -173.6 | -169 | 171.9 | -159.1 | 0 | 110.3 | R365 Y366 R371 V372 E373 | R365-K369 WeakPolarHBondContact O-CB 3.02Å; R365-K369 PolarHBondContact O-N 3.36Å; Y366-K369 PolarHBondContact O-N 3.46Å; K369-R371 VanDerWaalsContact C-N 3.28Å; K369-R371 PolarHBondContact O-N 3.33Å; K369-V372 PolarHBondContact O-N 3.47Å; K369-E373 VanDerWaalsContact CE-OE2 3.32Å; K369-E373 WeakPolarHBondContact CE-OE2 3.31Å; K369-E373 IonicContact NZ-OE2 2.78Å; K369-E373 PolarHBondContact NZ-OE2 2.97Å; K369-E373 VanDerWaalsContact O-CB 3.25Å; K369-E373 WeakPolarHBondContact O-CB 3.49Å; K369-E373 PolarHBondContact O-N 2.83Å |
| 370 | K | 98.8 | Very high | 98.5 | Very high | 84 Ų | 84 | 104.2 Ų | 104.2 | 37% | 0.365 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.5 | -26.4 | -176.3 | -168.8 | 52.5 | 178 | 165.3 | 0 | 113.1 | Y366 R367 Q368 E373 Q374 | Y366-K370 PolarHBondContact O-N 3.48Å; R367-K370 PolarHBondContact O-N 2.89Å; Q368-K370 VanDerWaalsContact C-N 3.32Å; Q368-K370 PolarHBondContact O-N 2.88Å; K370-E373 HydrophobicContact CD-CB 4.43Å; K370-E373 VanDerWaalsContact CD-OE1 3.22Å; K370-E373 WeakPolarHBondContact CD-OE1 3.38Å; K370-E373 WeakPolarHBondContact CE-OE1 3.49Å; K370-E373 IonicContact NZ-OE1 2.66Å; K370-E373 PolarHBondContact NZ-OE1 3.1Å; K370-Q374 VanDerWaalsContact O-CB 3.31Å; K370-Q374 WeakPolarHBondContact O-CB 3.47Å; K370-Q374 PolarHBondContact O-N 3.39Å; K370-Q374 VanDerWaalsContact O-N 3.11Å |
| 371 | R | 98.6 | Very high | 98.5 | Very high | 151 Ų | 151 | 103.7 Ų | 103.7 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.7 | -52 | 167.3 | -78.4 | -169.7 | -70.3 | 101 | -9.4 | 111.9 | R367 Q368 K369 E373 Q374 E375 | R367-R371 WeakPolarHBondContact O-CG 3.48Å; R367-R371 PolarHBondContact O-N 3.34Å; Q368-R371 PolarHBondContact O-N 3.3Å; K369-R371 VanDerWaalsContact C-N 3.28Å; K369-R371 PolarHBondContact O-N 3.33Å; R371-E373 VanDerWaalsContact C-N 3.3Å; R371-E373 PolarHBondContact O-N 3.35Å; R371-Q374 WeakPolarHBondContact O-CB 3.45Å; R371-Q374 PolarHBondContact O-N 3.27Å; R371-E375 VanDerWaalsContact O-CB 3.27Å; R371-E375 WeakPolarHBondContact O-CB 3.49Å; R371-E375 PolarHBondContact O-N 2.8Å |
| 372 | V | 98.7 | Very high | 98.6 | Very high | 74 Ų | 74 | 107.5 Ų | 107.5 | 45% | 0.448 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61 | -39.3 | 178.9 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | Q368 K369 Q374 E375 Q376 | Q368-V372 WeakPolarHBondContact O-CG2 3.49Å; Q368-V372 PolarHBondContact O-N 3.41Å; K369-V372 PolarHBondContact O-N 3.47Å; V372-Q374 VanDerWaalsContact C-N 3.33Å; V372-Q374 PolarHBondContact O-N 2.84Å; V372-E375 PolarHBondContact O-N 2.96Å; V372-Q376 WeakPolarHBondContact O-CB 3.26Å; V372-Q376 PolarHBondContact O-N 3.36Å |
| 373 | E | 98.4 | Very high | 98.6 | Very high | 66 Ų | 66 | 108.9 Ų | 108.9 | 31% | 0.308 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -36.4 | 175.1 | -170.8 | -177.1 | 109.5 | 0 | 0 | 112 | K369 K370 R371 L377 | K369-E373 VanDerWaalsContact CE-OE2 3.32Å; K369-E373 WeakPolarHBondContact CE-OE2 3.31Å; K369-E373 IonicContact NZ-OE2 2.78Å; K369-E373 PolarHBondContact NZ-OE2 2.97Å; K369-E373 VanDerWaalsContact O-CB 3.25Å; K369-E373 WeakPolarHBondContact O-CB 3.49Å; K369-E373 PolarHBondContact O-N 2.83Å; K370-E373 HydrophobicContact CD-CB 4.43Å; K370-E373 VanDerWaalsContact CD-OE1 3.22Å; K370-E373 WeakPolarHBondContact CD-OE1 3.38Å; K370-E373 WeakPolarHBondContact CE-OE1 3.49Å; K370-E373 IonicContact NZ-OE1 2.66Å; K370-E373 PolarHBondContact NZ-OE1 3.1Å; R371-E373 VanDerWaalsContact C-N 3.3Å; R371-E373 PolarHBondContact O-N 3.35Å; E373-L377 WeakPolarHBondContact O-CD1 3.41Å; E373-L377 VanDerWaalsContact O-CG 3.27Å; E373-L377 WeakPolarHBondContact O-CG 3.39Å; E373-L377 PolarHBondContact O-N 2.66Å |
| 374 | Q | 98.6 | Very high | 98.6 | Very high | 108 Ų | 108 | 111.7 Ų | 111.7 | 51% | 0.505 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -74.3 | -40 | 175.2 | -174 | 61.9 | 61.4 | 0 | 0 | 112.3 | K370 R371 V372 L377 S378 | K370-Q374 VanDerWaalsContact O-CB 3.31Å; K370-Q374 WeakPolarHBondContact O-CB 3.47Å; K370-Q374 PolarHBondContact O-N 3.39Å; K370-Q374 VanDerWaalsContact O-N 3.11Å; R371-Q374 WeakPolarHBondContact O-CB 3.45Å; R371-Q374 PolarHBondContact O-N 3.27Å; V372-Q374 VanDerWaalsContact C-N 3.33Å; V372-Q374 PolarHBondContact O-N 2.84Å; Q374-L377 PolarHBondContact O-N 3.36Å; Q374-S378 PolarHBondContact O-N 2.89Å; Q374-S378 PolarHBondContact O-OG 2.95Å; Q374-S378 VanDerWaalsContact O-OG 3.09Å |
| 375 | E | 98.5 | Very high | 98.6 | Very high | 121 Ų | 121 | 114.6 Ų | 114.6 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.7 | -43.5 | 179.1 | -175.9 | 173 | -168.4 | 0 | 0 | 111.3 | R371 V372 S378 S379 | R371-E375 VanDerWaalsContact O-CB 3.27Å; R371-E375 WeakPolarHBondContact O-CB 3.49Å; R371-E375 PolarHBondContact O-N 2.8Å; V372-E375 PolarHBondContact O-N 2.96Å; E375-S378 WeakPolarHBondContact CA-OG 3.3Å; E375-S378 PolarHBondContact O-N 3.31Å; E375-S378 PolarHBondContact O-OG 3.5Å; E375-S379 PolarHBondContact O-N 3.37Å |
| 376 | Q | 98.7 | Very high | 98.6 | Very high | 130 Ų | 130 | 111.8 Ų | 111.8 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.9 | -46.9 | 171.7 | -177.7 | 179.1 | -7.8 | 0 | 0 | 111.6 | V372 S378 S379 E380 | V372-Q376 WeakPolarHBondContact O-CB 3.26Å; V372-Q376 PolarHBondContact O-N 3.36Å; Q376-S378 PolarHBondContact O-N 2.91Å; Q376-S379 PolarHBondContact O-N 3.36Å; Q376-E380 PolarHBondContact O-N 3.39Å |
| 377 | L | 98.7 | Very high | 98.7 | Very high | 83 Ų | 83 | 110.9 Ų | 110.9 | 44% | 0.435 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65 | -36 | 178.3 | -73.2 | 169.3 | 0 | 0 | 0 | 112.6 | E373 Q374 L381 | E373-L377 WeakPolarHBondContact O-CD1 3.41Å; E373-L377 VanDerWaalsContact O-CG 3.27Å; E373-L377 WeakPolarHBondContact O-CG 3.39Å; E373-L377 PolarHBondContact O-N 2.66Å; Q374-L377 PolarHBondContact O-N 3.36Å; L377-L381 WeakPolarHBondContact O-CG 3.44Å; L377-L381 PolarHBondContact O-N 2.84Å; L377-L381 VanDerWaalsContact O-N 3.1Å |
| 378 | S | 98.6 | Very high | 98.7 | Very high | 58 Ų | 58 | 107.2 Ų | 107.2 | 41% | 0.406 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69 | -38.5 | 173.1 | 43.3 | 0 | 0 | 0 | 0 | 112.8 | Q374 E375 Q376 L381 E382 | Q374-S378 PolarHBondContact O-N 2.89Å; Q374-S378 PolarHBondContact O-OG 2.95Å; Q374-S378 VanDerWaalsContact O-OG 3.09Å; E375-S378 WeakPolarHBondContact CA-OG 3.3Å; E375-S378 PolarHBondContact O-N 3.31Å; E375-S378 PolarHBondContact O-OG 3.5Å; Q376-S378 PolarHBondContact O-N 2.91Å; S378-L381 PolarHBondContact O-N 3.2Å; S378-E382 PolarHBondContact O-N 3.07Å |
| 379 | S | 98.6 | Very high | 98.7 | Very high | 63 Ų | 63 | 106.1 Ų | 106.1 | 44% | 0.441 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 175.9 | -171.5 | 0 | 0 | 0 | 0 | 111.7 | E375 Q376 E382 D383 | E375-S379 PolarHBondContact O-N 3.37Å; Q376-S379 PolarHBondContact O-N 3.36Å; S379-E382 PolarHBondContact O-N 3.02Å; S379-D383 WeakPolarHBondContact O-CB 3.31Å; S379-D383 PolarHBondContact O-N 3.23Å |
| 380 | E | 98.6 | Very high | 98.7 | Very high | 107 Ų | 107 | 103.1 Ų | 103.1 | 50% | 0.5 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -38 | 176.7 | -173.9 | 172.3 | -177 | 0 | 0 | 111.6 | Q376 L384 | Q376-E380 PolarHBondContact O-N 3.39Å; E380-L384 HydrophobicContact CG-CD1 4.08Å; E380-L384 VanDerWaalsContact O-CB 3.31Å; E380-L384 WeakPolarHBondContact O-CB 3.4Å; E380-L384 WeakPolarHBondContact O-CD1 3.47Å; E380-L384 WeakPolarHBondContact O-CG 3.19Å; E380-L384 PolarHBondContact O-N 3.36Å |
| 381 | L | 98.7 | Very high | 98.7 | Very high | 120 Ų | 120 | 104.6 Ų | 104.6 | 63% | 0.628 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.3 | -44.7 | 172.9 | -74.7 | 171.1 | 0 | 0 | 0 | 112.5 | L377 S378 L384 E385 | L377-L381 WeakPolarHBondContact O-CG 3.44Å; L377-L381 PolarHBondContact O-N 2.84Å; L377-L381 VanDerWaalsContact O-N 3.1Å; S378-L381 PolarHBondContact O-N 3.2Å; L381-L384 PolarHBondContact O-N 3.35Å; L381-E385 WeakPolarHBondContact O-CB 3.18Å; L381-E385 PolarHBondContact O-N 2.91Å |
| 382 | E | 98.7 | Very high | 98.7 | Very high | 141 Ų | 141 | 102.4 Ų | 102.4 | 66% | 0.659 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.2 | -44 | 178.3 | -173.1 | 178.8 | 167.7 | 0 | 0 | 111.7 | S378 S379 L384 E385 K386 | S378-E382 PolarHBondContact O-N 3.07Å; S379-E382 PolarHBondContact O-N 3.02Å; E382-L384 VanDerWaalsContact C-N 3.33Å; E382-L384 PolarHBondContact O-N 3.02Å; E382-E385 PolarHBondContact O-N 3.09Å; E382-K386 VanDerWaalsContact O-CB 3.26Å; E382-K386 WeakPolarHBondContact O-CB 3.48Å; E382-K386 PolarHBondContact O-N 3.13Å |
| 383 | D | 98.7 | Very high | 98.7 | Very high | 83 Ų | 83 | 105.4 Ų | 105.4 | 44% | 0.444 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 174.9 | -88.7 | -37.9 | 0 | 0 | 0 | 112.3 | S379 R387 | S379-D383 WeakPolarHBondContact O-CB 3.31Å; S379-D383 PolarHBondContact O-N 3.23Å; D383-R387 VanDerWaalsContact O-CB 3.31Å; D383-R387 WeakPolarHBondContact O-CB 3.28Å; D383-R387 WeakPolarHBondContact O-CG 3.39Å; D383-R387 PolarHBondContact O-N 2.62Å |
| 384 | L | 98.7 | Very high | 98.7 | Very high | 98 Ų | 98 | 107.1 Ų | 107.1 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -74.8 | -38.9 | 177.8 | -74.2 | 171.7 | 0 | 0 | 0 | 113 | E380 L381 E382 R387 N388 | E380-L384 HydrophobicContact CG-CD1 4.08Å; E380-L384 VanDerWaalsContact O-CB 3.31Å; E380-L384 WeakPolarHBondContact O-CB 3.4Å; E380-L384 WeakPolarHBondContact O-CD1 3.47Å; E380-L384 WeakPolarHBondContact O-CG 3.19Å; E380-L384 PolarHBondContact O-N 3.36Å; L381-L384 PolarHBondContact O-N 3.35Å; E382-L384 VanDerWaalsContact C-N 3.33Å; E382-L384 PolarHBondContact O-N 3.02Å; L384-R387 PolarHBondContact O-N 3.11Å; L384-N388 WeakPolarHBondContact O-CB 3.32Å; L384-N388 PolarHBondContact O-N 3.49Å |
| 385 | E | 98.8 | Very high | 98.7 | Very high | 139 Ų | 139 | 104.4 Ų | 104.4 | 65% | 0.65 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.1 | -49.9 | 175 | -176.9 | 165.1 | -133.5 | 0 | 0 | 110.3 | L381 E382 R387 N388 D389 | L381-E385 WeakPolarHBondContact O-CB 3.18Å; L381-E385 PolarHBondContact O-N 2.91Å; E382-E385 PolarHBondContact O-N 3.09Å; E385-R387 VanDerWaalsContact C-N 3.32Å; E385-R387 PolarHBondContact O-N 3.43Å; E385-N388 WeakPolarHBondContact O-CA 3.49Å; E385-N388 VanDerWaalsContact O-CB 3.28Å; E385-N388 WeakPolarHBondContact O-CB 3.33Å; E385-N388 PolarHBondContact O-N 3.27Å; E385-D389 PolarHBondContact O-N 3.01Å |
| 386 | K | 98.8 | Very high | 98.7 | Very high | 124 Ų | 124 | 103.4 Ų | 103.4 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57 | -42.2 | 173.3 | 179.1 | -178.6 | 172.4 | -174.4 | 0 | 112.8 | E382 N388 D389 E390 | E382-K386 VanDerWaalsContact O-CB 3.26Å; E382-K386 WeakPolarHBondContact O-CB 3.48Å; E382-K386 PolarHBondContact O-N 3.13Å; K386-N388 VanDerWaalsContact C-N 3.28Å; K386-N388 PolarHBondContact O-N 3.46Å; K386-D389 PolarHBondContact O-N 2.9Å; K386-E390 VanDerWaalsContact O-CB 3.32Å; K386-E390 WeakPolarHBondContact O-CB 3.29Å; K386-E390 PolarHBondContact O-N 3.44Å |
| 387 | R | 98.8 | Very high | 98.7 | Very high | 152 Ų | 152 | 100.1 Ų | 100.1 | 57% | 0.574 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.9 | -34.4 | 174.7 | -77.7 | -94.2 | 176.3 | 65.8 | 2.4 | 112.4 | D383 L384 E385 L391 | D383-R387 VanDerWaalsContact O-CB 3.31Å; D383-R387 WeakPolarHBondContact O-CB 3.28Å; D383-R387 WeakPolarHBondContact O-CG 3.39Å; D383-R387 PolarHBondContact O-N 2.62Å; L384-R387 PolarHBondContact O-N 3.11Å; E385-R387 VanDerWaalsContact C-N 3.32Å; E385-R387 PolarHBondContact O-N 3.43Å; R387-L391 WeakPolarHBondContact O-CB 3.34Å; R387-L391 WeakPolarHBondContact O-CD1 3.47Å; R387-L391 VanDerWaalsContact O-CG 3.25Å; R387-L391 WeakPolarHBondContact O-CG 3.22Å; R387-L391 PolarHBondContact O-N 3.08Å; R387-L391 VanDerWaalsContact O-N 3.15Å |
| 388 | N | 98.7 | Very high | 98.7 | Very high | 109 Ų | 109 | 100.7 Ų | 100.7 | 58% | 0.583 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.7 | -50.8 | 177 | -161.2 | -37.3 | 0 | 0 | 0 | 110.7 | L384 E385 K386 E390 L391 K392 | L384-N388 WeakPolarHBondContact O-CB 3.32Å; L384-N388 PolarHBondContact O-N 3.49Å; E385-N388 WeakPolarHBondContact O-CA 3.49Å; E385-N388 VanDerWaalsContact O-CB 3.28Å; E385-N388 WeakPolarHBondContact O-CB 3.33Å; E385-N388 PolarHBondContact O-N 3.27Å; K386-N388 VanDerWaalsContact C-N 3.28Å; K386-N388 PolarHBondContact O-N 3.46Å; N388-E390 PolarHBondContact O-N 2.83Å; N388-L391 PolarHBondContact O-N 2.92Å; N388-K392 WeakPolarHBondContact O-CB 3.25Å; N388-K392 PolarHBondContact O-N 3.2Å |
| 389 | D | 98.8 | Very high | 98.8 | Very high | 80 Ų | 80 | 101.4 Ų | 101.4 | 43% | 0.428 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 176.1 | -83.8 | -30.5 | 0 | 0 | 0 | 112.1 | E385 K386 L391 K392 E393 | E385-D389 PolarHBondContact O-N 3.01Å; K386-D389 PolarHBondContact O-N 2.9Å; D389-L391 VanDerWaalsContact C-N 3.27Å; D389-L391 PolarHBondContact O-N 3.34Å; D389-K392 WeakPolarHBondContact O-CB 3.44Å; D389-K392 PolarHBondContact O-N 2.95Å; D389-K392 IonicContact OD1-NZ 2.66Å; D389-E393 WeakPolarHBondContact O-CG 3.33Å; D389-E393 PolarHBondContact O-N 3.18Å |
| 390 | E | 98.8 | Very high | 98.8 | Very high | 75 Ų | 75 | 106.2 Ų | 106.2 | 35% | 0.35 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.2 | -37.7 | 172.6 | -93.6 | -163.9 | -132.6 | 0 | 0 | 113.3 | K386 N388 K394 | K386-E390 VanDerWaalsContact O-CB 3.32Å; K386-E390 WeakPolarHBondContact O-CB 3.29Å; K386-E390 PolarHBondContact O-N 3.44Å; N388-E390 PolarHBondContact O-N 2.83Å; E390-K394 WeakPolarHBondContact O-CD 3.45Å; E390-K394 WeakPolarHBondContact O-CE 3.31Å; E390-K394 WeakPolarHBondContact O-CG 3.27Å; E390-K394 PolarHBondContact O-N 3.03Å; E390-K394 PolarHBondContact O-NZ 3.26Å; E390-K394 IonicContact OE2-NZ 3.05Å; E390-K394 PolarHBondContact OE2-NZ 3.06Å |
| 391 | L | 98.9 | Very high | 98.8 | Very high | 115 Ų | 115 | 106.8 Ų | 106.8 | 60% | 0.602 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -77.1 | -36.3 | 178 | -74.8 | 168.9 | 0 | 0 | 0 | 111.8 | R387 N388 D389 K394 A395 | R387-L391 WeakPolarHBondContact O-CB 3.34Å; R387-L391 WeakPolarHBondContact O-CD1 3.47Å; R387-L391 VanDerWaalsContact O-CG 3.25Å; R387-L391 WeakPolarHBondContact O-CG 3.22Å; R387-L391 PolarHBondContact O-N 3.08Å; R387-L391 VanDerWaalsContact O-N 3.15Å; N388-L391 PolarHBondContact O-N 2.92Å; D389-L391 VanDerWaalsContact C-N 3.27Å; D389-L391 PolarHBondContact O-N 3.34Å; L391-K394 PolarHBondContact O-N 3.39Å; L391-A395 WeakPolarHBondContact O-CB 3.32Å; L391-A395 PolarHBondContact O-N 3.41Å |
| 392 | K | 98.8 | Very high | 98.8 | Very high | 104 Ų | 104 | 105 Ų | 105 | 45% | 0.452 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.2 | -46.3 | 175.3 | 179.2 | -176 | 165.7 | -160.5 | 0 | 111.6 | N388 D389 K394 A395 E396 | N388-K392 WeakPolarHBondContact O-CB 3.25Å; N388-K392 PolarHBondContact O-N 3.2Å; D389-K392 WeakPolarHBondContact O-CB 3.44Å; D389-K392 PolarHBondContact O-N 2.95Å; D389-K392 IonicContact OD1-NZ 2.66Å; K392-K394 VanDerWaalsContact C-N 3.29Å; K392-K394 PolarHBondContact O-N 3.48Å; K392-A395 PolarHBondContact O-N 3.04Å; K392-A395 VanDerWaalsContact O-N 3.16Å; K392-E396 VanDerWaalsContact CE-OE1 3.3Å; K392-E396 WeakPolarHBondContact CE-OE1 3.37Å; K392-E396 WeakPolarHBondContact CG-OE1 3.43Å; K392-E396 WeakPolarHBondContact O-CB 3.49Å; K392-E396 WeakPolarHBondContact O-CG 3.27Å; K392-E396 PolarHBondContact O-N 3.12Å |
| 393 | E | 98.8 | Very high | 98.8 | Very high | 138 Ų | 138 | 102.3 Ų | 102.3 | 65% | 0.645 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.4 | -42.3 | 173 | -75 | -167.5 | 157.5 | 0 | 0 | 111.9 | D389 E396 S397 | D389-E393 WeakPolarHBondContact O-CG 3.33Å; D389-E393 PolarHBondContact O-N 3.18Å; E393-E396 PolarHBondContact O-N 3.28Å; E393-S397 VanDerWaalsContact O-CB 3.3Å; E393-S397 WeakPolarHBondContact O-CB 3.39Å; E393-S397 PolarHBondContact O-N 3.09Å |
| 394 | K | 98.8 | Very high | 98.8 | Very high | 101 Ų | 101 | 105.5 Ų | 105.5 | 44% | 0.439 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 176 | -69.6 | 160.2 | -159.8 | 154 | 0 | 111 | E390 L391 K392 S397 I398 | E390-K394 WeakPolarHBondContact O-CD 3.45Å; E390-K394 WeakPolarHBondContact O-CE 3.31Å; E390-K394 WeakPolarHBondContact O-CG 3.27Å; E390-K394 PolarHBondContact O-N 3.03Å; E390-K394 PolarHBondContact O-NZ 3.26Å; E390-K394 IonicContact OE2-NZ 3.05Å; E390-K394 PolarHBondContact OE2-NZ 3.06Å; L391-K394 PolarHBondContact O-N 3.39Å; K392-K394 VanDerWaalsContact C-N 3.29Å; K392-K394 PolarHBondContact O-N 3.48Å; K394-S397 PolarHBondContact O-N 2.85Å; K394-I398 WeakPolarHBondContact O-CG1 3.47Å; K394-I398 PolarHBondContact O-N 3.35Å |
| 395 | A | 98.9 | Very high | 98.8 | Very high | 52 Ų | 52 | 105 Ų | 105 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L391 K392 S399 | L391-A395 WeakPolarHBondContact O-CB 3.32Å; L391-A395 PolarHBondContact O-N 3.41Å; K392-A395 PolarHBondContact O-N 3.04Å; K392-A395 VanDerWaalsContact O-N 3.16Å; A395-S399 VanDerWaalsContact O-CB 3.26Å; A395-S399 WeakPolarHBondContact O-CB 3.31Å; A395-S399 PolarHBondContact O-N 2.86Å; A395-S399 PolarHBondContact O-OG 3.06Å |
| 396 | E | 98.8 | Very high | 98.8 | Very high | 99 Ų | 99 | 103.5 Ų | 103.5 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.5 | -32.2 | 175.2 | -72.6 | -179 | -158.2 | 0 | 0 | 112.3 | K392 E393 R400 | K392-E396 VanDerWaalsContact CE-OE1 3.3Å; K392-E396 WeakPolarHBondContact CE-OE1 3.37Å; K392-E396 WeakPolarHBondContact CG-OE1 3.43Å; K392-E396 WeakPolarHBondContact O-CB 3.49Å; K392-E396 WeakPolarHBondContact O-CG 3.27Å; K392-E396 PolarHBondContact O-N 3.12Å; E393-E396 PolarHBondContact O-N 3.28Å; E396-R400 VanDerWaalsContact O-CG 3.32Å; E396-R400 WeakPolarHBondContact O-CG 3.35Å; E396-R400 PolarHBondContact O-N 2.95Å; E396-R400 VanDerWaalsContact O-N 3.1Å; E396-R400 PolarHBondContact O-NE 2.66Å |
| 397 | S | 98.8 | Very high | 98.8 | Very high | 61 Ų | 61 | 101.5 Ų | 101.5 | 43% | 0.427 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.4 | -51.6 | 172.4 | -166.7 | 0 | 0 | 0 | 0 | 111.4 | E393 K394 S399 R400 E401 | E393-S397 VanDerWaalsContact O-CB 3.3Å; E393-S397 WeakPolarHBondContact O-CB 3.39Å; E393-S397 PolarHBondContact O-N 3.09Å; K394-S397 PolarHBondContact O-N 2.85Å; S397-S399 VanDerWaalsContact C-N 3.28Å; S397-S399 PolarHBondContact O-N 2.89Å; S397-R400 PolarHBondContact O-N 3.39Å; S397-E401 PolarHBondContact O-N 2.97Å |
| 398 | I | 98.8 | Very high | 98.8 | Very high | 95 Ų | 95 | 98.5 Ų | 98.5 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 176.9 | -67.7 | 165.5 | 0 | 0 | 0 | 110.7 | K394 R400 E401 I402 | K394-I398 WeakPolarHBondContact O-CG1 3.47Å; K394-I398 PolarHBondContact O-N 3.35Å; I398-R400 PolarHBondContact O-N 3.17Å; I398-E401 PolarHBondContact O-N 2.94Å; I398-I402 HydrophobicContact CG2-CD1 3.7Å; I398-I402 HydrophobicContact CG2-CG1 4.29Å; I398-I402 WeakPolarHBondContact O-CB 3.35Å; I398-I402 VanDerWaalsContact O-CG1 3.28Å; I398-I402 WeakPolarHBondContact O-CG1 3.39Å; I398-I402 PolarHBondContact O-N 2.92Å |
| 399 | S | 98.8 | Very high | 98.7 | Very high | 73 Ų | 73 | 99.2 Ų | 99.2 | 51% | 0.51 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 176.3 | -62.6 | 0 | 0 | 0 | 0 | 112.7 | A395 S397 Q403 | A395-S399 VanDerWaalsContact O-CB 3.26Å; A395-S399 WeakPolarHBondContact O-CB 3.31Å; A395-S399 PolarHBondContact O-N 2.86Å; A395-S399 PolarHBondContact O-OG 3.06Å; S397-S399 VanDerWaalsContact C-N 3.28Å; S397-S399 PolarHBondContact O-N 2.89Å; S399-Q403 WeakPolarHBondContact O-CB 3.35Å; S399-Q403 PolarHBondContact O-N 3.35Å |
| 400 | R | 98.9 | Very high | 98.7 | Very high | 164 Ų | 164 | 100.3 Ų | 100.3 | 62% | 0.619 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.1 | -41.1 | 174.4 | -76.5 | 174.9 | -71.8 | 156.4 | -7 | 112.2 | E396 S397 I398 Q403 Y404 | E396-R400 VanDerWaalsContact O-CG 3.32Å; E396-R400 WeakPolarHBondContact O-CG 3.35Å; E396-R400 PolarHBondContact O-N 2.95Å; E396-R400 VanDerWaalsContact O-N 3.1Å; E396-R400 PolarHBondContact O-NE 2.66Å; S397-R400 PolarHBondContact O-N 3.39Å; I398-R400 PolarHBondContact O-N 3.17Å; R400-Q403 PolarHBondContact O-N 2.84Å; R400-Y404 WeakPolarHBondContact O-CB 3.49Å; R400-Y404 PolarHBondContact O-N 2.87Å |
| 401 | E | 98.7 | Very high | 98.6 | Very high | 120 Ų | 120 | 100.1 Ų | 100.1 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.3 | -46.6 | 175.7 | -176.4 | 172.5 | -163.6 | 0 | 0 | 111.6 | S397 I398 Q403 Y404 L405 | S397-E401 PolarHBondContact O-N 2.97Å; I398-E401 PolarHBondContact O-N 2.94Å; E401-Q403 VanDerWaalsContact C-N 3.26Å; E401-Q403 PolarHBondContact O-N 3.24Å; E401-Y404 PolarHBondContact O-N 3.41Å; E401-L405 HydrophobicContact CG-CD1 4.17Å; E401-L405 WeakPolarHBondContact O-CD1 3.43Å; E401-L405 PolarHBondContact O-N 3.37Å |
| 402 | I | 98.8 | Very high | 98.5 | Very high | 82 Ų | 82 | 99.2 Ų | 99.2 | 42% | 0.421 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.4 | -40.1 | 174.2 | -72.4 | 170.2 | 0 | 0 | 0 | 111 | I398 K406 | I398-I402 HydrophobicContact CG2-CD1 3.7Å; I398-I402 HydrophobicContact CG2-CG1 4.29Å; I398-I402 WeakPolarHBondContact O-CB 3.35Å; I398-I402 VanDerWaalsContact O-CG1 3.28Å; I398-I402 WeakPolarHBondContact O-CG1 3.39Å; I398-I402 PolarHBondContact O-N 2.92Å; I402-K406 HydrophobicContact CG2-CD 4.21Å; I402-K406 VanDerWaalsContact O-CG 3.27Å; I402-K406 WeakPolarHBondContact O-CG 3.33Å; I402-K406 PolarHBondContact O-N 3.49Å |
| 403 | Q | 98.8 | Very high | 98.4 | Very high | 85 Ų | 85 | 99.9 Ų | 99.9 | 40% | 0.397 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.2 | -45.7 | 177.3 | -170.8 | 55.6 | 38 | 0 | 0 | 111.9 | S399 R400 E401 L405 K406 D407 | S399-Q403 WeakPolarHBondContact O-CB 3.35Å; S399-Q403 PolarHBondContact O-N 3.35Å; R400-Q403 PolarHBondContact O-N 2.84Å; E401-Q403 VanDerWaalsContact C-N 3.26Å; E401-Q403 PolarHBondContact O-N 3.24Å; Q403-L405 VanDerWaalsContact C-N 3.31Å; Q403-L405 PolarHBondContact O-N 2.77Å; Q403-K406 WeakPolarHBondContact O-CB 3.21Å; Q403-K406 PolarHBondContact O-N 2.84Å; Q403-K406 VanDerWaalsContact O-N 3.11Å; Q403-D407 VanDerWaalsContact NE2-CG 3.31Å; Q403-D407 PolarHBondContact NE2-OD1 2.96Å; Q403-D407 PolarHBondContact NE2-OD2 2.87Å; Q403-D407 VanDerWaalsContact O-CG 3.28Å; Q403-D407 PolarHBondContact O-N 3.34Å |
| 404 | Y | 98.8 | Very high | 98.2 | Very high | 150 Ų | 150 | 99 Ų | 99 | 59% | 0.588 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -57.3 | -42.2 | 175 | 175.8 | -111.2 | 0 | 0 | 0 | 112.5 | R400 E401 D407 L408 | R400-Y404 WeakPolarHBondContact O-CB 3.49Å; R400-Y404 PolarHBondContact O-N 2.87Å; E401-Y404 PolarHBondContact O-N 3.41Å; Y404-D407 PolarHBondContact O-N 3.4Å; Y404-L408 VanDerWaalsContact O-CB 3.3Å; Y404-L408 WeakPolarHBondContact O-CB 3.41Å; Y404-L408 PolarHBondContact O-N 3.06Å |
| 405 | L | 98.8 | Very high | 98 | Very high | 86 Ų | 86 | 99.4 Ų | 99.4 | 45% | 0.45 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 174.5 | -95.1 | 60.7 | 0 | 0 | 0 | 112.2 | E401 Q403 M409 | E401-L405 HydrophobicContact CG-CD1 4.17Å; E401-L405 WeakPolarHBondContact O-CD1 3.43Å; E401-L405 PolarHBondContact O-N 3.37Å; Q403-L405 VanDerWaalsContact C-N 3.31Å; Q403-L405 PolarHBondContact O-N 2.77Å; L405-M409 WeakPolarHBondContact O-CB 3.26Å; L405-M409 VanDerWaalsContact O-CG 3.25Å; L405-M409 WeakPolarHBondContact O-CG 3.34Å; L405-M409 PolarHBondContact O-N 3.37Å |
| 406 | K | 98.7 | Very high | 97.5 | Very high | 109 Ų | 109 | 103 Ų | 103 | 47% | 0.474 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 175.1 | -74.7 | 165.6 | -178.5 | 169.8 | 0 | 111.7 | I402 Q403 M409 E410 | I402-K406 HydrophobicContact CG2-CD 4.21Å; I402-K406 VanDerWaalsContact O-CG 3.27Å; I402-K406 WeakPolarHBondContact O-CG 3.33Å; I402-K406 PolarHBondContact O-N 3.49Å; Q403-K406 WeakPolarHBondContact O-CB 3.21Å; Q403-K406 PolarHBondContact O-N 2.84Å; Q403-K406 VanDerWaalsContact O-N 3.11Å; K406-M409 CarbonylContact O-C 3.56Å; K406-M409 PolarHBondContact O-N 2.92Å; K406-E410 WeakPolarHBondContact O-CB 3.41Å; K406-E410 PolarHBondContact O-N 3.37Å |
| 407 | D | 98.5 | Very high | 97 | Very high | 81 Ų | 81 | 107.3 Ų | 107.3 | 43% | 0.433 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.1 | -39.7 | -177.9 | -65 | -26.4 | 0 | 0 | 0 | 111.5 | Q403 Y404 E410 E411 | Q403-D407 VanDerWaalsContact NE2-CG 3.31Å; Q403-D407 PolarHBondContact NE2-OD1 2.96Å; Q403-D407 PolarHBondContact NE2-OD2 2.87Å; Q403-D407 VanDerWaalsContact O-CG 3.28Å; Q403-D407 PolarHBondContact O-N 3.34Å; Y404-D407 PolarHBondContact O-N 3.4Å; D407-E410 WeakPolarHBondContact O-CB 3.42Å; D407-E410 PolarHBondContact O-N 3.21Å; D407-E411 PolarHBondContact O-N 3.46Å |
| 408 | L | 98.6 | Very high | 96 | Very high | 90 Ų | 90 | 106.5 Ų | 106.5 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 171.9 | -178.8 | 60.5 | 0 | 0 | 0 | 111.4 | Y404 E410 E411 V412 | Y404-L408 VanDerWaalsContact O-CB 3.3Å; Y404-L408 WeakPolarHBondContact O-CB 3.41Å; Y404-L408 PolarHBondContact O-N 3.06Å; L408-E410 VanDerWaalsContact C-N 3.32Å; L408-E410 PolarHBondContact O-N 3.12Å; L408-E411 PolarHBondContact O-N 3.3Å; L408-V412 WeakPolarHBondContact O-CG2 3.21Å; L408-V412 PolarHBondContact O-N 3Å |
| 409 | M | 98 | Very high | 94.9 | Very high | 123 Ų | 123 | 108.8 Ų | 108.8 | 61% | 0.606 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.8 | -30.1 | 174.5 | -71.5 | 178.5 | 74.1 | 0 | 0 | 112.8 | L405 K406 R413 | L405-M409 WeakPolarHBondContact O-CB 3.26Å; L405-M409 VanDerWaalsContact O-CG 3.25Å; L405-M409 WeakPolarHBondContact O-CG 3.34Å; L405-M409 PolarHBondContact O-N 3.37Å; K406-M409 CarbonylContact O-C 3.56Å; K406-M409 PolarHBondContact O-N 2.92Å; M409-R413 WeakPolarHBondContact O-CB 3.36Å; M409-R413 WeakPolarHBondContact O-CG 3.49Å; M409-R413 PolarHBondContact O-N 3.06Å; M409-R413 VanDerWaalsContact O-N 3.1Å; M409-R413 PolarHBondContact O-NE 2.91Å |
| 410 | E | 97.8 | Very high | 93.5 | Very high | 103 Ų | 103 | 109.1 Ų | 109.1 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -51.4 | 172.6 | -171.9 | 85 | -168.6 | 0 | 0 | 110.7 | K406 D407 L408 V412 R413 K414 | K406-E410 WeakPolarHBondContact O-CB 3.41Å; K406-E410 PolarHBondContact O-N 3.37Å; D407-E410 WeakPolarHBondContact O-CB 3.42Å; D407-E410 PolarHBondContact O-N 3.21Å; L408-E410 VanDerWaalsContact C-N 3.32Å; L408-E410 PolarHBondContact O-N 3.12Å; E410-V412 VanDerWaalsContact C-N 3.35Å; E410-V412 PolarHBondContact O-N 3.29Å; E410-R413 VanDerWaalsContact CA-CZ 3.49Å; E410-R413 WeakPolarHBondContact O-CB 3.31Å; E410-R413 PolarHBondContact O-N 3.23Å; E410-R413 IonicContact OE2-CZ 3.1Å; E410-R413 IonicContact OE2-NH1 2.72Å; E410-R413 PolarHBondContact OE2-NH1 3.48Å; E410-R413 IonicContact OE2-NH2 2.68Å; E410-R413 PolarHBondContact OE2-NH2 3.01Å; E410-K414 VanDerWaalsContact O-CB 3.29Å; E410-K414 WeakPolarHBondContact O-CB 3.47Å; E410-K414 PolarHBondContact O-N 2.59Å |
| 411 | E | 97.3 | Very high | 91.9 | Very high | 72 Ų | 72 | 105.1 Ų | 105.1 | 34% | 0.336 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.9 | -36.4 | -177.1 | -163.9 | 56.2 | -102.2 | 0 | 0 | 111.8 | D407 L408 K414 H415 | D407-E411 PolarHBondContact O-N 3.46Å; L408-E411 PolarHBondContact O-N 3.3Å; E411-K414 VanDerWaalsContact CD-NZ 3.27Å; E411-K414 PolarHBondContact O-N 3.23Å; E411-K414 VanDerWaalsContact OE1-CD 3.25Å; E411-K414 WeakPolarHBondContact OE1-CD 3.39Å; E411-K414 WeakPolarHBondContact OE1-CE 3.35Å; E411-K414 IonicContact OE1-NZ 2.66Å; E411-K414 PolarHBondContact OE1-NZ 3.1Å; E411-K414 IonicContact OE2-NZ 3.36Å; E411-K414 PolarHBondContact OE2-NZ 3.29Å; E411-H415 WeakPolarHBondContact O-CB 3.42Å; E411-H415 PolarHBondContact O-N 3.06Å; E411-H415 PolarHBondContact O-ND1 3.15Å; E411-H415 IonicContact OE1-CE1 3.14Å; E411-H415 PolarHBondContact OE1-CE1 3.48Å; E411-H415 IonicContact OE1-ND1 3.01Å; E411-H415 PolarHBondContact OE1-ND1 2.95Å |
| 412 | V | 97 | Very high | 90.1 | Very high | 95 Ų | 95 | 104 Ų | 104 | 58% | 0.576 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.7 | -45.9 | 171.2 | 172 | 0 | 0 | 0 | 0 | 111.8 | L408 E410 K414 H415 H416 | L408-V412 WeakPolarHBondContact O-CG2 3.21Å; L408-V412 PolarHBondContact O-N 3Å; E410-V412 VanDerWaalsContact C-N 3.35Å; E410-V412 PolarHBondContact O-N 3.29Å; V412-K414 VanDerWaalsContact C-N 3.31Å; V412-K414 PolarHBondContact O-N 3.4Å; V412-H415 PolarHBondContact O-N 2.95Å; V412-H416 PolarHBondContact O-N 3.03Å |
| 413 | R | 95.3 | Very high | 88.1 | Confident | 118 Ų | 118 | 106.4 Ų | 106.4 | 45% | 0.445 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.7 | -42.7 | 175.6 | -80.3 | 176.8 | -74.6 | 129.3 | -9 | 111.7 | M409 E410 H416 R417 | M409-R413 WeakPolarHBondContact O-CB 3.36Å; M409-R413 WeakPolarHBondContact O-CG 3.49Å; M409-R413 PolarHBondContact O-N 3.06Å; M409-R413 VanDerWaalsContact O-N 3.1Å; M409-R413 PolarHBondContact O-NE 2.91Å; E410-R413 VanDerWaalsContact CA-CZ 3.49Å; E410-R413 WeakPolarHBondContact O-CB 3.31Å; E410-R413 PolarHBondContact O-N 3.23Å; E410-R413 IonicContact OE2-CZ 3.1Å; E410-R413 IonicContact OE2-NH1 2.72Å; E410-R413 PolarHBondContact OE2-NH1 3.48Å; E410-R413 IonicContact OE2-NH2 2.68Å; E410-R413 PolarHBondContact OE2-NH2 3.01Å; R413-H416 PolarHBondContact O-N 3.42Å; R413-R417 WeakPolarHBondContact O-CG 3.45Å; R413-R417 PolarHBondContact O-N 2.82Å |
| 414 | K | 95.3 | Very high | 85.7 | Confident | 121 Ų | 121 | 109.4 Ų | 109.4 | 53% | 0.526 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.3 | -46.5 | 178.7 | 175.8 | 176 | 151.6 | -149.3 | 0 | 111.9 | E410 E411 V412 H416 R417 G418 | E410-K414 VanDerWaalsContact O-CB 3.29Å; E410-K414 WeakPolarHBondContact O-CB 3.47Å; E410-K414 PolarHBondContact O-N 2.59Å; E411-K414 VanDerWaalsContact CD-NZ 3.27Å; E411-K414 PolarHBondContact O-N 3.23Å; E411-K414 VanDerWaalsContact OE1-CD 3.25Å; E411-K414 WeakPolarHBondContact OE1-CD 3.39Å; E411-K414 WeakPolarHBondContact OE1-CE 3.35Å; E411-K414 IonicContact OE1-NZ 2.66Å; E411-K414 PolarHBondContact OE1-NZ 3.1Å; E411-K414 IonicContact OE2-NZ 3.36Å; E411-K414 PolarHBondContact OE2-NZ 3.29Å; V412-K414 VanDerWaalsContact C-N 3.31Å; V412-K414 PolarHBondContact O-N 3.4Å; K414-H416 VanDerWaalsContact C-N 3.34Å; K414-H416 PolarHBondContact O-N 3.08Å; K414-R417 PolarHBondContact O-N 3.06Å; K414-G418 PolarHBondContact O-N 2.84Å |
| 415 | H | 94 | Very high | 85.1 | Confident | 108 Ų | 108 | 107.4 Ų | 107.4 | 50% | 0.5 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.4 | -41.2 | 174.2 | -83.7 | 76.6 | 0 | 0 | 0 | 112.8 | E411 V412 K419 | E411-H415 WeakPolarHBondContact O-CB 3.42Å; E411-H415 PolarHBondContact O-N 3.06Å; E411-H415 PolarHBondContact O-ND1 3.15Å; E411-H415 IonicContact OE1-CE1 3.14Å; E411-H415 PolarHBondContact OE1-CE1 3.48Å; E411-H415 IonicContact OE1-ND1 3.01Å; E411-H415 PolarHBondContact OE1-ND1 2.95Å; V412-H415 PolarHBondContact O-N 2.95Å; H415-K419 PolarHBondContact O-N 2.87Å |
| 416 | H | 90.1 | Very high | 84.4 | Confident | 128 Ų | 128 | 108.5 Ų | 108.5 | 59% | 0.593 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.7 | -46 | 177.7 | -166.8 | -65.8 | 0 | 0 | 0 | 111.9 | V412 R413 K414 G418 K419 T420 | V412-H416 PolarHBondContact O-N 3.03Å; R413-H416 PolarHBondContact O-N 3.42Å; K414-H416 VanDerWaalsContact C-N 3.34Å; K414-H416 PolarHBondContact O-N 3.08Å; H416-G418 VanDerWaalsContact C-N 3.34Å; H416-G418 PolarHBondContact O-N 2.99Å; H416-K419 WeakPolarHBondContact O-CB 3.49Å; H416-K419 PolarHBondContact O-N 3.47Å; H416-T420 PolarHBondContact O-N 3.11Å; H416-T420 PolarHBondContact O-OG1 3.34Å |
| 417 | R | 88.2 | Confident | 83.6 | Confident | 189 Ų | 189 | 108.4 Ų | 108.4 | 71% | 0.713 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.2 | -42.8 | 176.8 | -73.8 | 178.2 | -179.5 | -83.9 | 2.5 | 112 | R413 K414 T420 A421 | R413-R417 WeakPolarHBondContact O-CG 3.45Å; R413-R417 PolarHBondContact O-N 2.82Å; K414-R417 PolarHBondContact O-N 3.06Å; R417-T420 WeakPolarHBondContact CA-OG1 3.4Å; R417-T420 PolarHBondContact O-N 3.45Å; R417-T420 PolarHBondContact O-OG1 2.84Å; R417-A421 WeakPolarHBondContact O-CB 3.17Å; R417-A421 PolarHBondContact O-N 2.87Å |
| 418 | G | 77.1 | Confident | 82.7 | Confident | 45 Ų | 45 | 110.1 Ų | 110.1 | 46% | 0.464 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.2 | -38.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K414 H416 S422 | K414-G418 PolarHBondContact O-N 2.84Å; H416-G418 VanDerWaalsContact C-N 3.34Å; H416-G418 PolarHBondContact O-N 2.99Å; G418-S422 WeakPolarHBondContact O-CB 3.41Å; G418-S422 PolarHBondContact O-N 2.92Å |
| 419 | K | 74.7 | Confident | 81.7 | Confident | 143 Ų | 143 | 111.3 Ų | 111.3 | 62% | 0.622 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -60.5 | -52.4 | 171.7 | -109.1 | 75 | 174.5 | -172.6 | 0 | 111.5 | H415 H416 A421 S422 | H415-K419 PolarHBondContact O-N 2.87Å; H416-K419 WeakPolarHBondContact O-CB 3.49Å; H416-K419 PolarHBondContact O-N 3.47Å; K419-A421 VanDerWaalsContact C-N 3.3Å; K419-A421 PolarHBondContact O-N 3.23Å; K419-S422 PolarHBondContact O-N 2.88Å; K419-S422 VanDerWaalsContact O-N 3.13Å |
| 420 | T | 69.4 | Low | 80.6 | Confident | 80 Ų | 80 | 110.5 Ų | 110.5 | 49% | 0.491 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.8 | -32.3 | -176 | 47.3 | 0 | 0 | 0 | 0 | 113.4 | H416 R417 S422 | H416-T420 PolarHBondContact O-N 3.11Å; H416-T420 PolarHBondContact O-OG1 3.34Å; R417-T420 WeakPolarHBondContact CA-OG1 3.4Å; R417-T420 PolarHBondContact O-N 3.45Å; R417-T420 PolarHBondContact O-OG1 2.84Å; T420-S422 VanDerWaalsContact C-N 3.27Å; T420-S422 PolarHBondContact O-N 3.49Å |
| 421 | A | 65.9 | Low | 79.4 | Confident | 79 Ų | 79 | 111.1 Ų | 111.1 | 65% | 0.653 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -1.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R417 K419 | R417-A421 WeakPolarHBondContact O-CB 3.17Å; R417-A421 PolarHBondContact O-N 2.87Å; K419-A421 VanDerWaalsContact C-N 3.3Å; K419-A421 PolarHBondContact O-N 3.23Å |
| 422 | S | 60.9 | Low | 78 | Confident | 97 Ų | 97 | 114.1 Ų | 114.1 | 68% | 0.678 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | 4.9 | 178.4 | -175.4 | 0 | 0 | 0 | 0 | 113.1 | G418 K419 T420 | G418-S422 WeakPolarHBondContact O-CB 3.41Å; G418-S422 PolarHBondContact O-N 2.92Å; K419-S422 PolarHBondContact O-N 2.88Å; K419-S422 VanDerWaalsContact O-N 3.13Å; T420-S422 VanDerWaalsContact C-N 3.27Å; T420-S422 PolarHBondContact O-N 3.49Å |
| 423 | V | 56.5 | Low | 76.4 | Confident | 133 Ų | 133 | 115.7 Ų | 115.7 | 81% | 0.806 | 64% | 0.642 | S | S | * | * | | | trans | -121.6 | -2.9 | -177.2 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 424 | A | 49.6 | Very low | 74.7 | Confident | 147 Ų | 147 | 115.5 Ų | 115.5 | 100% | 1.215 | 66% | 0.66 | S | S | * | * | | | trans | -111.8 | 0 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |