| 1 | M | 46.6 | Very low | 51.1 | Low | 248 Ų | 248 | 154.5 Ų | 154.5 | 100% | 1.222 | 85% | 0.853 | S | S | * | * | | | | 0 | 123.8 | 0 | -76.5 | 177.7 | 129 | 0 | 0 | 107.4 | | |
| 2 | S | 46.2 | Very low | 51.4 | Low | 119 Ų | 119 | 154.6 Ų | 154.6 | 83% | 0.832 | 84% | 0.843 | S | S | * | * | | | trans | 54.3 | 97.4 | 175.8 | -160.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 3 | S | 44 | Very low | 51.2 | Low | 107 Ų | 107 | 151.9 Ų | 151.9 | 75% | 0.748 | 84% | 0.838 | S | S | * | * | | | trans | -98.5 | 147.9 | 148.8 | 72.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 4 | V | 57.7 | Low | 51.8 | Low | 125 Ų | 125 | 150.9 Ų | 150.9 | 76% | 0.758 | 84% | 0.838 | S | S | * | * | | | trans | -138.9 | 118 | 161.3 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | L6 | V4-L6 HydrophobicContact CG1-CD1 4.48Š|
| 5 | V | 43.9 | Very low | 51.6 | Low | 128 Ų | 128 | 154.6 Ų | 154.6 | 78% | 0.776 | 84% | 0.842 | S | S | * | * | | | trans | -119 | 132.1 | 172.8 | 172.1 | 0 | 0 | 0 | 0 | 106.1 | | |
| 6 | L | 55 | Low | 51.9 | Low | 158 Ų | 158 | 155.3 Ų | 155.3 | 83% | 0.827 | 84% | 0.842 | S | S | * | * | | | trans | -149.9 | 97.5 | 168.3 | -92 | 156.9 | 0 | 0 | 0 | 105.7 | V4 | V4-L6 HydrophobicContact CG1-CD1 4.48Š|
| 7 | S | 55.3 | Low | 51.8 | Low | 107 Ų | 107 | 151.9 Ų | 151.9 | 75% | 0.748 | 84% | 0.84 | S | S | * | * | | | | 75.9 | 119.3 | 69.1 | -151.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 8 | T | 46 | Very low | 51.3 | Low | 128 Ų | 128 | 148.7 Ų | 148.7 | 79% | 0.785 | 84% | 0.836 | S | S | * | * | | | trans | -86.1 | 157.5 | -169.1 | 47.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 9 | M | 56.3 | Low | 51.4 | Low | 194 Ų | 194 | 147.8 Ų | 147.8 | 96% | 0.956 | 84% | 0.838 | S | S | * | * | | | trans | -142.2 | 126.4 | 154.4 | -81.9 | -142.7 | 82.6 | 0 | 0 | 111.3 | | |
| 10 | Q | 45.7 | Very low | 51 | Low | 175 Ų | 175 | 145.1 Ų | 145.1 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | | | trans | -107.3 | 142.8 | -173 | -161.9 | 177.8 | 8.5 | 0 | 0 | 108.7 | | |
| 11 | K | 65.3 | Low | 51.2 | Low | 211 Ų | 211 | 148 Ų | 148 | 92% | 0.917 | 84% | 0.837 | S | S | * | * | | | trans | -148.3 | 124.5 | 170.9 | -139 | 171.6 | -173.8 | 177.1 | 0 | 111 | | |
| 12 | E | 54.5 | Low | 51.6 | Low | 155 Ų | 155 | 143.4 Ų | 143.4 | 72% | 0.724 | 82% | 0.817 | S | S | * | * | | | trans | -84.5 | 165 | -173.1 | -77 | -160 | 134.2 | 0 | 0 | 115.4 | K199 | E12-K199 IonicContact OE1-NZ 3.73Š|
| 13 | P | 49 | Very low | 51.6 | Low | 120 Ų | 120 | 143.6 Ų | 143.6 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | | | trans | -104.9 | 170.3 | -166 | 40.1 | -31.8 | 0 | 0 | 0 | 115.6 | | |
| 14 | V | 59.2 | Low | 52 | Low | 138 Ų | 138 | 145.2 Ų | 145.2 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | | | trans | -124.4 | 126 | 175.5 | 175.7 | 0 | 0 | 0 | 0 | 111 | | |
| 15 | K | 49.5 | Very low | 51.3 | Low | 206 Ų | 206 | 148 Ų | 148 | 90% | 0.896 | 83% | 0.826 | S | S | * | * | | | trans | -86.1 | 139.4 | 174.3 | -79.1 | 176.5 | 174.4 | 176 | 0 | 111.9 | | |
| 16 | I | 56.9 | Low | 51 | Low | 166 Ų | 166 | 147.7 Ų | 147.7 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | | | trans | -135.9 | 137.9 | 162.2 | -58.5 | -179.5 | 0 | 0 | 0 | 109.6 | | |
| 17 | A | 50.2 | Low | 50.5 | Low | 97 Ų | 97 | 147.6 Ų | 147.6 | 80% | 0.802 | 83% | 0.827 | S | S | * | * | | | trans | -87.3 | 162.4 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 18 | A | 41.4 | Very low | 49.8 | Very low | 94 Ų | 94 | 148 Ų | 148 | 78% | 0.777 | 83% | 0.829 | S | S | * | * | | | trans | -64.1 | 177.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 19 | P | 53.9 | Low | 49.7 | Very low | 133 Ų | 133 | 149.8 Ų | 149.8 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | | | | -148.7 | 166.3 | 109.5 | 35.4 | -16.6 | 0 | 0 | 0 | 117.7 | | |
| 20 | A | 43.7 | Very low | 49.4 | Very low | 93 Ų | 93 | 149.8 Ų | 149.8 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | | | trans | -69.2 | 164.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 21 | K | 55.2 | Low | 50 | Low | 206 Ų | 206 | 150.5 Ų | 150.5 | 90% | 0.896 | 83% | 0.831 | S | S | * | * | | | trans | -149.2 | 143.1 | 154.6 | -99.5 | 173 | -172.8 | 178.2 | 0 | 111.8 | | |
| 22 | D | 55.3 | Low | 49.6 | Very low | 151 Ų | 151 | 146.2 Ų | 146.2 | 81% | 0.807 | 83% | 0.825 | S | S | * | * | | | trans | -72.5 | 165.4 | -158.7 | -62.3 | -56 | 0 | 0 | 0 | 117.8 | | |
| 23 | P | 46.7 | Very low | 49.7 | Very low | 123 Ų | 123 | 148.8 Ų | 148.8 | 80% | 0.799 | 83% | 0.834 | S | S | * | * | | | trans | -92.7 | 146.4 | -175.6 | 36.4 | -31.9 | 0 | 0 | 0 | 113.5 | | |
| 24 | V | 50.5 | Low | 49.8 | Very low | 141 Ų | 141 | 150.5 Ų | 150.5 | 86% | 0.855 | 84% | 0.835 | S | S | * | * | | | trans | -106.1 | 126.4 | 172.1 | 176.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 25 | Q | 43.2 | Very low | 49.7 | Very low | 185 Ų | 185 | 149.3 Ų | 149.3 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | | | trans | -73.3 | 131.5 | 175.4 | -70.4 | 172.6 | -21.3 | 0 | 0 | 111.4 | | |
| 26 | C | 38.6 | Very low | 50 | Low | 121 Ų | 121 | 145.3 Ų | 145.3 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | | | trans | -130.7 | 104.6 | 157.1 | -84.7 | 0 | 0 | 0 | 0 | 110 | | |
| 27 | I | 43.7 | Very low | 50.3 | Low | 156 Ų | 156 | 140.7 Ų | 140.7 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | | | trans | 23.4 | 115.8 | 142.1 | -38.6 | 175.9 | 0 | 0 | 0 | 117.1 | | |
| 28 | S | 40.4 | Very low | 51.2 | Low | 115 Ų | 115 | 144.4 Ų | 144.4 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -65.2 | 120 | 171.2 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 29 | L | 45.3 | Very low | 52.7 | Low | 165 Ų | 165 | 146.5 Ų | 146.5 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | | | trans | -104.3 | 120.8 | 159 | -106.8 | 141.7 | 0 | 0 | 0 | 107.9 | K31 | L29-K31 PolarHBondContact O-N 3.27Š|
| 30 | E | 50.2 | Low | 53.3 | Low | 194 Ų | 194 | 143.3 Ų | 143.3 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 119.5 | -179.3 | -75.2 | 177.8 | 138.7 | 0 | 0 | 110.9 | | |
| 31 | K | 56.7 | Low | 54.1 | Low | 191 Ų | 191 | 147.6 Ų | 147.6 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 130.7 | 166.9 | -66.7 | 178.6 | -178.7 | 177.5 | 0 | 108.2 | L29 K33 | L29-K31 PolarHBondContact O-N 3.27Å; K31-K33 PolarHBondContact O-N 3.27Å |
| 32 | P | 57.1 | Low | 54.5 | Low | 121 Ų | 121 | 142.9 Ų | 142.9 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 126.2 | 170.8 | 24.8 | -30.6 | 0 | 0 | 0 | 109.1 | L34 | P32-L34 PolarHBondContact O-N 3.2Š|
| 33 | K | 57.9 | Low | 55.1 | Low | 208 Ų | 208 | 142 Ų | 142 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | | | trans | -70 | 106.7 | 172.2 | -77.6 | 176.7 | 176.2 | 175.9 | 0 | 108.2 | K31 S35 | K31-K33 PolarHBondContact O-N 3.27Å; K33-S35 PolarHBondContact O-N 3.47Å |
| 34 | L | 50.9 | Low | 56.1 | Low | 156 Ų | 156 | 142.2 Ų | 142.2 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | | | trans | -79.7 | 104.4 | 160.5 | -68.4 | 170.2 | 0 | 0 | 0 | 107.2 | P32 | P32-L34 PolarHBondContact O-N 3.2Š|
| 35 | S | 56.4 | Low | 56.7 | Low | 114 Ų | 114 | 142.2 Ų | 142.2 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 116.8 | 164.5 | 48.3 | 0 | 0 | 0 | 0 | 108.3 | K33 | K33-S35 PolarHBondContact O-N 3.47Š|
| 36 | V | 55.7 | Low | 57.5 | Low | 122 Ų | 122 | 141.4 Ų | 141.4 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 119.9 | 169.7 | 173.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 37 | S | 63.4 | Low | 58.3 | Low | 69 Ų | 69 | 146.4 Ų | 146.4 | 48% | 0.483 | 78% | 0.781 | S | S | . | * | P | Polyproline II helix | trans | -66.4 | 146.4 | 166.7 | -39.4 | 0 | 0 | 0 | 0 | 109.3 | D39 G40 | S37-D39 PolarHBondContact O-N 3.41Å; S37-G40 PolarHBondContact O-N 3.21Å |
| 38 | D | 68.3 | Low | 58.5 | Low | 174 Ų | 174 | 146.7 Ų | 146.7 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -3.9 | 178.7 | -103.7 | -19.4 | 0 | 0 | 0 | 114.2 | | |
| 39 | D | 73.9 | Confident | 59.1 | Low | 139 Ų | 139 | 149.3 Ų | 149.3 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 4.7 | -176.9 | -47.7 | -26.4 | 0 | 0 | 0 | 113.3 | S37 F41 | S37-D39 PolarHBondContact O-N 3.41Å; D39-F41 PolarHBondContact O-N 3.48Å; D39-F41 VanDerWaalsContact O-N 3.11Å |
| 40 | G | 65.5 | Low | 59.3 | Low | 65 Ų | 65 | 145.7 Ų | 145.7 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | | | trans | 69.5 | 8.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | S37 | S37-G40 PolarHBondContact O-N 3.21Š|
| 41 | F | 62.2 | Low | 59 | Low | 184 Ų | 184 | 144.6 Ų | 144.6 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | | | trans | -100.6 | 130.6 | 175.5 | -103 | -95.3 | 0 | 0 | 0 | 112.1 | D39 | D39-F41 PolarHBondContact O-N 3.48Å; D39-F41 VanDerWaalsContact O-N 3.11Å |
| 42 | V | 63.7 | Low | 58.8 | Low | 107 Ų | 107 | 144.4 Ų | 144.4 | 65% | 0.648 | 78% | 0.784 | S | S | * | * | | | trans | -93.8 | 112.7 | 170 | 177.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 43 | D | 67.4 | Low | 58.1 | Low | 133 Ų | 133 | 150.2 Ų | 150.2 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | trans | -73.4 | 123.9 | 173.7 | -160.7 | -7.9 | 0 | 0 | 0 | 109.4 | N45 | D43-N45 PolarHBondContact OD1-ND2 2.73Š|
| 44 | L | 67.1 | Low | 57.8 | Low | 126 Ų | 126 | 146.4 Ų | 146.4 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | | | trans | -105.6 | 14 | -170.5 | -93.6 | 152.9 | 0 | 0 | 0 | 112.8 | D46 | L44-D46 PolarHBondContact O-N 3.1Š|
| 45 | N | 64.1 | Low | 57.4 | Low | 141 Ų | 141 | 145 Ų | 145 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | | | trans | -88.4 | 8.7 | -169.6 | -72.6 | -42.7 | 0 | 0 | 0 | 116.6 | D43 | D43-N45 PolarHBondContact OD1-ND2 2.73Š|
| 46 | D | 59.7 | Low | 57.1 | Low | 169 Ų | 169 | 147.3 Ų | 147.3 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | | | trans | -108.3 | 27 | -170.1 | -104.9 | -2.7 | 0 | 0 | 0 | 115.7 | L44 | L44-D46 PolarHBondContact O-N 3.1Š|
| 47 | W | 54.7 | Low | 56.6 | Low | 225 Ų | 225 | 146.6 Ų | 146.6 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | | | trans | -107.4 | 24.3 | -171 | -126.7 | -35.9 | 0 | 0 | 0 | 118.3 | | |
| 48 | D | 48.9 | Very low | 55.4 | Low | 163 Ų | 163 | 151 Ų | 151 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | | | trans | -110.5 | 81.7 | 176.3 | -91.1 | -21.8 | 0 | 0 | 0 | 113 | | |
| 49 | I | 52.4 | Low | 54.1 | Low | 170 Ų | 170 | 154.7 Ų | 154.7 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | | | trans | -143.8 | 120.3 | 163.9 | -59 | -177.7 | 0 | 0 | 0 | 112.1 | | |
| 50 | A | 48.2 | Very low | 52.6 | Low | 89 Ų | 89 | 154.9 Ų | 154.9 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | | | trans | 90.9 | 83.7 | 150 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 51 | D | 44.9 | Very low | 51.8 | Low | 170 Ų | 170 | 155.6 Ų | 155.6 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | | | trans | -78 | 109.9 | 141.5 | -99.5 | -30 | 0 | 0 | 0 | 110.5 | | |
| 52 | Q | 51.6 | Low | 51 | Low | 188 Ų | 188 | 156.2 Ų | 156.2 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | | | trans | -145.6 | 104.9 | 157.4 | -71.3 | -163.1 | 19.4 | 0 | 0 | 111.3 | | |
| 53 | R | 42.6 | Very low | 50.1 | Low | 243 Ų | 243 | 156.1 Ų | 156.1 | 92% | 0.917 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 134.9 | 164.9 | -97 | -176.6 | 178.9 | -180 | 1.7 | 110.5 | | |
| 54 | P | 51.5 | Low | 49 | Very low | 127 Ų | 127 | 159.3 Ų | 159.3 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 127 | 163.6 | 32.4 | -26.3 | 0 | 0 | 0 | 111.4 | | |
| 55 | T | 44.5 | Very low | 48.1 | Very low | 127 Ų | 127 | 162.5 Ų | 162.5 | 78% | 0.779 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -92 | 141.5 | 169.6 | 45.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 56 | N | 48.2 | Very low | 47.3 | Very low | 162 Ų | 162 | 161.1 Ų | 161.1 | 87% | 0.866 | 86% | 0.855 | S | S | * | * | | | trans | -156.1 | 132.4 | 157.7 | -94.2 | -36.2 | 0 | 0 | 0 | 110.1 | | |
| 57 | P | 45.2 | Very low | 46.5 | Very low | 108 Ų | 108 | 158.8 Ų | 158.8 | 70% | 0.701 | 85% | 0.846 | S | S | * | * | | | trans | -112 | 170 | -175.7 | 41.2 | -32.6 | 0 | 0 | 0 | 114.8 | | |
| 58 | L | 39.6 | Very low | 46.1 | Very low | 160 Ų | 160 | 159.9 Ų | 159.9 | 84% | 0.838 | 85% | 0.85 | S | S | * | * | | | trans | 73.2 | 115.1 | 157.8 | -95 | 81.6 | 0 | 0 | 0 | 120.5 | | |
| 59 | R | 41.3 | Very low | 45.8 | Very low | 253 Ų | 253 | 159.5 Ų | 159.5 | 96% | 0.955 | 85% | 0.847 | S | S | * | * | | | | -164.1 | 137.2 | 115.7 | -122.9 | 179.9 | 175.9 | -155.1 | -0.5 | 113.5 | | |
| 60 | T | 41.4 | Very low | 45.5 | Very low | 142 Ų | 142 | 161.8 Ų | 161.8 | 87% | 0.871 | 85% | 0.851 | S | S | * | * | | | trans | -82.7 | 151 | -178.9 | 44.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 61 | G | 48.5 | Very low | 45.1 | Very low | 80 Ų | 80 | 160.4 Ų | 160.4 | 83% | 0.825 | 85% | 0.845 | S | S | * | * | | | trans | -171.2 | 112.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 62 | Q | 45 | Very low | 45.1 | Very low | 197 Ų | 197 | 158.8 Ų | 158.8 | 92% | 0.921 | 84% | 0.841 | S | S | * | * | | | trans | -74.7 | 148.3 | -175.6 | -58.8 | 179 | -38 | 0 | 0 | 113.4 | | |
| 63 | A | 45.1 | Very low | 44.7 | Very low | 105 Ų | 105 | 161 Ų | 161 | 87% | 0.868 | 84% | 0.842 | S | S | * | * | | | trans | -170.7 | 136.2 | 134.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 64 | K | 44.5 | Very low | 44.7 | Very low | 200 Ų | 200 | 154.6 Ų | 154.6 | 87% | 0.87 | 83% | 0.834 | S | S | * | * | | | trans | -92.7 | 149.5 | -177.4 | -62.9 | 166.7 | 174.2 | 175.9 | 0 | 111.1 | | |
| 65 | Q | 49.3 | Very low | 44.5 | Very low | 194 Ų | 194 | 156.9 Ų | 156.9 | 91% | 0.907 | 84% | 0.838 | S | S | * | * | | | trans | 169.1 | 111 | 135.5 | -93.4 | 171.5 | 25.2 | 0 | 0 | 108.6 | | |
| 66 | S | 47.3 | Very low | 44.4 | Very low | 112 Ų | 112 | 155 Ų | 155 | 78% | 0.783 | 83% | 0.831 | S | S | * | * | | | | 90.2 | 90.2 | 83.2 | -167.8 | 0 | 0 | 0 | 0 | 114 | | |
| 67 | V | 42.4 | Very low | 44.1 | Very low | 119 Ų | 119 | 154.3 Ų | 154.3 | 72% | 0.721 | 83% | 0.827 | S | S | * | * | | | trans | 22.9 | 125.1 | 132.6 | -173.6 | 0 | 0 | 0 | 0 | 119 | | |
| 68 | R | 45.2 | Very low | 44.2 | Very low | 248 Ų | 248 | 157.6 Ų | 157.6 | 94% | 0.936 | 84% | 0.837 | S | S | * | * | | | | -163.2 | 123.2 | 127.9 | -104.1 | 170.3 | -158 | -173.2 | 6 | 112.2 | | |
| 69 | L | 42.8 | Very low | 44.3 | Very low | 155 Ų | 155 | 155.2 Ų | 155.2 | 81% | 0.812 | 83% | 0.833 | S | S | * | * | | | trans | -68 | 145.6 | 166.3 | -74.9 | 94.7 | 0 | 0 | 0 | 111.7 | | |
| 70 | F | 45.6 | Very low | 44.4 | Very low | 218 Ų | 218 | 151.2 Ų | 151.2 | 96% | 0.956 | 82% | 0.822 | S | S | * | * | | | trans | -145.6 | 140.9 | 141.2 | -107.5 | -84.5 | 0 | 0 | 0 | 108.3 | | |
| 71 | G | 41.2 | Very low | 44.5 | Very low | 60 Ų | 60 | 153.9 Ų | 153.9 | 62% | 0.619 | 82% | 0.816 | S | S | * | * | | | trans | -117.1 | 172.8 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 72 | V | 44.8 | Very low | 44.6 | Very low | 136 Ų | 136 | 157.3 Ų | 157.3 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | | | trans | 56.1 | 112.7 | 150.2 | -139.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 73 | R | 42.9 | Very low | 44.4 | Very low | 236 Ų | 236 | 152.1 Ų | 152.1 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | | | | 169.3 | 138.7 | 102.6 | -88.8 | 179.4 | 176.6 | -176.1 | -2.8 | 112.8 | | |
| 74 | S | 43.3 | Very low | 44.2 | Very low | 108 Ų | 108 | 155 Ų | 155 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | | | trans | -33.2 | 136.4 | 167.4 | 177.9 | 0 | 0 | 0 | 0 | 117 | | |
| 75 | L | 46.2 | Very low | 44.1 | Very low | 174 Ų | 174 | 150.4 Ų | 150.4 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | | | trans | -142.2 | 119.1 | 147.5 | -79.7 | 173.7 | 0 | 0 | 0 | 108.7 | | |
| 76 | S | 41.8 | Very low | 43.8 | Very low | 89 Ų | 89 | 145.6 Ų | 145.6 | 62% | 0.622 | 80% | 0.8 | S | S | * | * | | | trans | -75.3 | 158.5 | 161 | 47.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 77 | D | 42.2 | Very low | 43.9 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | | | trans | 74.5 | 106.7 | 168.3 | -52.5 | -31.3 | 0 | 0 | 0 | 117.4 | | |
| 78 | I | 47.1 | Very low | 44.3 | Very low | 176 Ų | 176 | 148.3 Ų | 148.3 | 90% | 0.903 | 80% | 0.8 | S | S | * | * | | | trans | -165 | 110.3 | 137.4 | -86.8 | 137.5 | 0 | 0 | 0 | 107.8 | | |
| 79 | C | 42.8 | Very low | 44.5 | Very low | 111 Ų | 111 | 143 Ų | 143 | 75% | 0.75 | 79% | 0.79 | S | S | * | * | | | trans | -79.1 | 145.3 | 161.7 | -66.3 | 0 | 0 | 0 | 0 | 110 | | |
| 80 | F | 42.6 | Very low | 44.7 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 74% | 0.737 | 79% | 0.787 | S | S | * | * | | | | 158.7 | 131.6 | 119.3 | -109.4 | -103.8 | 0 | 0 | 0 | 113.1 | | |
| 81 | R | 43.3 | Very low | 45.2 | Very low | 198 Ų | 198 | 141.5 Ų | 141.5 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | | | trans | 38.4 | 122.6 | 144.5 | -72.6 | -175.8 | -169.7 | 179.9 | 1.3 | 120 | | |
| 82 | V | 50.2 | Low | 45.7 | Very low | 153 Ų | 153 | 145.6 Ų | 145.6 | 93% | 0.927 | 79% | 0.792 | S | S | * | * | | | trans | -116.6 | 127.5 | 144.1 | 178.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 83 | S | 41.3 | Very low | 46.3 | Very low | 88 Ų | 88 | 148.3 Ų | 148.3 | 62% | 0.615 | 80% | 0.795 | S | S | * | * | | | trans | -116.6 | 145.1 | 177.8 | -60.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 84 | N | 40.7 | Very low | 46.9 | Very low | 166 Ų | 166 | 145.4 Ų | 145.4 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | trans | 28.8 | 122.2 | 156 | -65.1 | -7 | 0 | 0 | 0 | 119.8 | | |
| 85 | A | 42.2 | Very low | 47.3 | Very low | 103 Ų | 103 | 147.3 Ų | 147.3 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | | | | -169.9 | 132.8 | 122.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 86 | A | 44.9 | Very low | 47.8 | Very low | 93 Ų | 93 | 141.7 Ų | 141.7 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | -65.7 | 142.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 87 | Q | 49.2 | Very low | 48.8 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | | | | 174.1 | 132.3 | 127.9 | -98.4 | 172.3 | 18.5 | 0 | 0 | 112 | | |
| 88 | T | 49.2 | Very low | 50 | Low | 110 Ų | 110 | 139 Ų | 139 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | | | trans | 72.3 | 114 | 145.8 | 62.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 89 | N | 49.4 | Very low | 51.4 | Low | 137 Ų | 137 | 134.4 Ų | 134.4 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | | | trans | 81.8 | 116.6 | 132.2 | -59.3 | -0.5 | 0 | 0 | 0 | 118.5 | | |
| 90 | D | 48.8 | Very low | 53.4 | Low | 137 Ų | 137 | 133 Ų | 133 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | | | trans | 51.5 | 94.3 | 141.6 | -56.2 | -23.9 | 0 | 0 | 0 | 115.6 | | |
| 91 | F | 54.8 | Low | 55.5 | Low | 205 Ų | 205 | 132.5 Ų | 132.5 | 90% | 0.899 | 74% | 0.74 | S | S | * | * | | | trans | 161.1 | 82.5 | 147.4 | -85.3 | -63.5 | 0 | 0 | 0 | 107.5 | | |
| 92 | D | 51.7 | Low | 57.7 | Low | 146 Ų | 146 | 127.6 Ų | 127.6 | 78% | 0.781 | 73% | 0.728 | S | S | * | * | | | trans | -167.2 | 79.8 | 158.2 | -106.5 | -23.7 | 0 | 0 | 0 | 111.1 | | |
| 93 | E | 57 | Low | 59.6 | Low | 192 Ų | 192 | 124.6 Ų | 124.6 | 90% | 0.897 | 71% | 0.71 | S | S | * | * | | | trans | -105.8 | 16 | 172.4 | -110.6 | -175.2 | 175.3 | 0 | 0 | 113.2 | | |
| 94 | H | 56.4 | Low | 62.1 | Low | 175 Ų | 175 | 125 Ų | 125 | 81% | 0.81 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -124.7 | 17.9 | -170.5 | -93.7 | -65.3 | 0 | 0 | 0 | 118.1 | | |
| 95 | L | 52.5 | Low | 64.7 | Low | 149 Ų | 149 | 122.4 Ų | 122.4 | 78% | 0.78 | 69% | 0.685 | S | S | * | * | | | trans | -119.7 | 28.2 | 177.6 | -68.8 | 171.7 | 0 | 0 | 0 | 115.1 | V97 | L95-V97 PolarHBondContact O-N 3.46Š|
| 96 | G | 55.3 | Low | 67.2 | Low | 55 Ų | 55 | 124 Ų | 124 | 57% | 0.567 | 67% | 0.673 | S | S | * | * | | | trans | -80.6 | -4.1 | -177 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 97 | V | 62.6 | Low | 69.7 | Low | 128 Ų | 128 | 122.7 Ų | 122.7 | 78% | 0.776 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -76.8 | -32.4 | -169.5 | -168.7 | 0 | 0 | 0 | 0 | 112.7 | L95 S100 | L95-V97 PolarHBondContact O-N 3.46Å; V97-S100 PolarHBondContact O-N 3.22Å |
| 98 | G | 67.4 | Low | 71.9 | Confident | 53 Ų | 53 | 118.5 Ų | 118.5 | 55% | 0.546 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -70.7 | -32.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S100 | G98-S100 VanDerWaalsContact C-N 3.34Å |
| 99 | S | 76.3 | Confident | 74.2 | Confident | 79 Ų | 79 | 118.4 Ų | 118.4 | 55% | 0.552 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -75 | -24.3 | -179.9 | -52.8 | 0 | 0 | 0 | 0 | 112.9 | T103 | S99-T103 WeakPolarHBondContact O-CB 3.38Å; S99-T103 PolarHBondContact O-N 3.46Å; S99-T103 VanDerWaalsContact O-N 3.1Å; S99-T103 PolarHBondContact O-OG1 3.3Å |
| 100 | S | 84.8 | Confident | 76.4 | Confident | 80 Ų | 80 | 119.8 Ų | 119.8 | 56% | 0.559 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.3 | -45.6 | 177.7 | -176.3 | 0 | 0 | 0 | 0 | 111.4 | V97 G98 T103 L104 | V97-S100 PolarHBondContact O-N 3.22Å; G98-S100 VanDerWaalsContact C-N 3.34Å; S100-T103 PolarHBondContact O-N 3.45Å; S100-L104 WeakPolarHBondContact O-CB 3.34Å; S100-L104 PolarHBondContact O-N 2.86Å |
| 101 | W | 87.4 | Confident | 78.7 | Confident | 159 Ų | 159 | 119.6 Ų | 119.6 | 60% | 0.602 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65 | -43.5 | -180 | -178 | 86.3 | 0 | 0 | 0 | 112.8 | T103 L104 K105 | W101-T103 VanDerWaalsContact C-N 3.29Å; W101-T103 PolarHBondContact O-N 3.4Å; W101-L104 PolarHBondContact O-N 2.86Å; W101-K105 HydrophobicContact CH2-CD 3.83Å; W101-K105 HydrophobicContact CZ2-CD 4.27Å; W101-K105 HydrophobicContact CZ3-CD 4.14Å; W101-K105 WeakPolarHBondContact O-CB 3.35Å; W101-K105 PolarHBondContact O-N 3.45Å |
| 102 | L | 89.2 | Confident | 80.7 | Confident | 94 Ų | 94 | 114 Ų | 114 | 49% | 0.492 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.1 | -36.3 | 175.3 | -75.5 | 169 | 0 | 0 | 0 | 112.1 | K106 | L102-K106 WeakPolarHBondContact O-CB 3.36Å; L102-K106 WeakPolarHBondContact O-CG 3.49Å; L102-K106 PolarHBondContact O-N 2.91Å |
| 103 | T | 91.5 | Very high | 82.9 | Confident | 91 Ų | 91 | 110.7 Ų | 110.7 | 56% | 0.558 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.7 | -42.3 | 176.7 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | S99 S100 W101 K106 N107 | S99-T103 WeakPolarHBondContact O-CB 3.38Å; S99-T103 PolarHBondContact O-N 3.46Å; S99-T103 VanDerWaalsContact O-N 3.1Å; S99-T103 PolarHBondContact O-OG1 3.3Å; S100-T103 PolarHBondContact O-N 3.45Å; W101-T103 VanDerWaalsContact C-N 3.29Å; W101-T103 PolarHBondContact O-N 3.4Å; T103-K106 PolarHBondContact O-N 3.23Å; T103-N107 WeakPolarHBondContact O-CB 3.47Å; T103-N107 PolarHBondContact O-N 3.05Å |
| 104 | L | 93 | Very high | 84.8 | Confident | 97 Ų | 97 | 105.7 Ų | 105.7 | 51% | 0.508 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.7 | -45.6 | 174.9 | -178.2 | 63.7 | 0 | 0 | 0 | 111.4 | S100 W101 K106 N107 L108 | S100-L104 WeakPolarHBondContact O-CB 3.34Å; S100-L104 PolarHBondContact O-N 2.86Å; W101-L104 PolarHBondContact O-N 2.86Å; L104-K106 PolarHBondContact O-N 2.85Å; L104-N107 WeakPolarHBondContact O-CB 3.45Å; L104-N107 PolarHBondContact O-N 3.34Å; L104-N107 VanDerWaalsContact O-N 3.17Å; L104-L108 HydrophobicContact CD1-CD1 4.35Å; L104-L108 HydrophobicContact CD1-CG 4.43Å; L104-L108 HydrophobicContact CG-CD1 4.09Å; L104-L108 WeakPolarHBondContact O-CG 3.41Å; L104-L108 PolarHBondContact O-N 3.11Å |
| 105 | K | 95.4 | Very high | 86.7 | Confident | 110 Ų | 110 | 104.9 Ų | 104.9 | 48% | 0.478 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -57.9 | -49.7 | 176.1 | -176.8 | 178 | 177.5 | 178.9 | 0 | 111.4 | W101 N107 L108 E109 | W101-K105 HydrophobicContact CH2-CD 3.83Å; W101-K105 HydrophobicContact CZ2-CD 4.27Å; W101-K105 HydrophobicContact CZ3-CD 4.14Å; W101-K105 WeakPolarHBondContact O-CB 3.35Å; W101-K105 PolarHBondContact O-N 3.45Å; K105-N107 VanDerWaalsContact C-N 3.3Å; K105-N107 PolarHBondContact O-N 3.42Å; K105-L108 PolarHBondContact O-N 2.92Å; K105-E109 WeakPolarHBondContact O-CB 3.31Å; K105-E109 PolarHBondContact O-N 2.87Å |
| 106 | K | 95.6 | Very high | 88.8 | Confident | 137 Ų | 137 | 106.1 Ų | 106.1 | 60% | 0.596 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.2 | -35.8 | 176.1 | -74.3 | 179.7 | 179 | -178 | 0 | 112.6 | L102 T103 L104 R110 | L102-K106 WeakPolarHBondContact O-CB 3.36Å; L102-K106 WeakPolarHBondContact O-CG 3.49Å; L102-K106 PolarHBondContact O-N 2.91Å; T103-K106 PolarHBondContact O-N 3.23Å; L104-K106 PolarHBondContact O-N 2.85Å; K106-R110 VanDerWaalsContact O-CB 3.31Å; K106-R110 WeakPolarHBondContact O-CB 3.48Å; K106-R110 PolarHBondContact O-N 3.16Å |
| 107 | N | 95.5 | Very high | 90.8 | Very high | 66 Ų | 66 | 109.5 Ų | 109.5 | 35% | 0.353 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.9 | -45.9 | 176.8 | -167.1 | -61.6 | 0 | 0 | 0 | 111.4 | T103 L104 K105 R110 K111 | T103-N107 WeakPolarHBondContact O-CB 3.47Å; T103-N107 PolarHBondContact O-N 3.05Å; L104-N107 WeakPolarHBondContact O-CB 3.45Å; L104-N107 PolarHBondContact O-N 3.34Å; L104-N107 VanDerWaalsContact O-N 3.17Å; K105-N107 VanDerWaalsContact C-N 3.3Å; K105-N107 PolarHBondContact O-N 3.42Å; N107-R110 PolarHBondContact O-N 2.96Å; N107-K111 WeakPolarHBondContact O-CG 3.2Å; N107-K111 PolarHBondContact O-N 3.49Å; N107-K111 WeakPolarHBondContact OD1-CE 3.42Å |
| 108 | L | 96.9 | Very high | 92.4 | Very high | 89 Ų | 89 | 109 Ų | 109 | 47% | 0.466 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 175.9 | -76.6 | 168.6 | 0 | 0 | 0 | 111.7 | L104 K105 R110 K111 I112 | L104-L108 HydrophobicContact CD1-CD1 4.35Å; L104-L108 HydrophobicContact CD1-CG 4.43Å; L104-L108 HydrophobicContact CG-CD1 4.09Å; L104-L108 WeakPolarHBondContact O-CG 3.41Å; L104-L108 PolarHBondContact O-N 3.11Å; K105-L108 PolarHBondContact O-N 2.92Å; L108-R110 PolarHBondContact O-N 3.09Å; L108-K111 PolarHBondContact O-N 2.93Å; L108-I112 VanDerWaalsContact O-CG1 3.31Å; L108-I112 WeakPolarHBondContact O-CG1 3.47Å; L108-I112 PolarHBondContact O-N 2.99Å |
| 109 | E | 97.1 | Very high | 93.8 | Very high | 107 Ų | 107 | 107.9 Ų | 107.9 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 176.2 | -172.9 | 174.3 | -173.2 | 0 | 0 | 111.6 | K105 K111 I112 N113 | K105-E109 WeakPolarHBondContact O-CB 3.31Å; K105-E109 PolarHBondContact O-N 2.87Å; E109-K111 PolarHBondContact O-N 3.39Å; E109-I112 PolarHBondContact O-N 3.5Å; E109-N113 WeakPolarHBondContact O-CB 3.28Å; E109-N113 PolarHBondContact O-N 3.32Å |
| 110 | R | 96.3 | Very high | 94.8 | Very high | 167 Ų | 167 | 108.6 Ų | 108.6 | 63% | 0.63 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.1 | -41.9 | 173.9 | -168.7 | -175.9 | -62.9 | 127.9 | -1.6 | 111.9 | K106 N107 L108 N114 | K106-R110 VanDerWaalsContact O-CB 3.31Å; K106-R110 WeakPolarHBondContact O-CB 3.48Å; K106-R110 PolarHBondContact O-N 3.16Å; N107-R110 PolarHBondContact O-N 2.96Å; L108-R110 PolarHBondContact O-N 3.09Å; R110-N114 VanDerWaalsContact O-CB 3.25Å; R110-N114 WeakPolarHBondContact O-CB 3.37Å; R110-N114 PolarHBondContact O-N 3.47Å |
| 111 | K | 97.1 | Very high | 95.3 | Very high | 133 Ų | 133 | 109.3 Ų | 109.3 | 58% | 0.578 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.8 | -42.4 | 176.8 | -78.3 | -179.4 | 175.2 | -179.6 | 0 | 112 | N107 L108 E109 N114 K115 | N107-K111 WeakPolarHBondContact O-CG 3.2Å; N107-K111 PolarHBondContact O-N 3.49Å; N107-K111 WeakPolarHBondContact OD1-CE 3.42Å; L108-K111 PolarHBondContact O-N 2.93Å; E109-K111 PolarHBondContact O-N 3.39Å; K111-N114 PolarHBondContact O-N 3.22Å; K111-K115 PolarHBondContact O-N 3.17Å |
| 112 | I | 96.8 | Very high | 95.8 | Very high | 88 Ų | 88 | 105.8 Ų | 105.8 | 45% | 0.451 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 177.2 | -68.9 | 166.6 | 0 | 0 | 0 | 110.3 | L108 E109 K115 R116 | L108-I112 VanDerWaalsContact O-CG1 3.31Å; L108-I112 WeakPolarHBondContact O-CG1 3.47Å; L108-I112 PolarHBondContact O-N 2.99Å; E109-I112 PolarHBondContact O-N 3.5Å; I112-K115 PolarHBondContact O-N 2.89Å; I112-R116 WeakPolarHBondContact O-CG 3.3Å; I112-R116 PolarHBondContact O-N 2.89Å |
| 113 | N | 96.7 | Very high | 96.2 | Very high | 76 Ų | 76 | 109.1 Ų | 109.1 | 41% | 0.406 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 177.3 | -75.5 | -16.2 | 0 | 0 | 0 | 112 | E109 R116 Q117 | E109-N113 WeakPolarHBondContact O-CB 3.28Å; E109-N113 PolarHBondContact O-N 3.32Å; N113-R116 PolarHBondContact O-N 3.08Å; N113-Q117 WeakPolarHBondContact O-CG 3.36Å; N113-Q117 PolarHBondContact O-N 2.86Å |
| 114 | N | 97.1 | Very high | 96.4 | Very high | 87 Ų | 87 | 111.1 Ų | 111.1 | 47% | 0.465 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 174.2 | -173.2 | -58.7 | 0 | 0 | 0 | 111.4 | R110 K111 R116 Q117 Q118 | R110-N114 VanDerWaalsContact O-CB 3.25Å; R110-N114 WeakPolarHBondContact O-CB 3.37Å; R110-N114 PolarHBondContact O-N 3.47Å; K111-N114 PolarHBondContact O-N 3.22Å; N114-R116 VanDerWaalsContact C-N 3.32Å; N114-R116 PolarHBondContact O-N 3.11Å; N114-Q117 PolarHBondContact O-N 3.2Å; N114-Q117 VanDerWaalsContact O-N 3.17Å; N114-Q118 WeakPolarHBondContact O-CG 3.43Å; N114-Q118 PolarHBondContact O-N 2.87Å; N114-Q118 PolarHBondContact OD1-NE2 3.34Å |
| 115 | K | 97 | Very high | 96.6 | Very high | 157 Ų | 157 | 110.2 Ų | 110.2 | 68% | 0.683 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.3 | -38.6 | 174.7 | -77.6 | -170.5 | 174.6 | -170.8 | 0 | 112.9 | K111 I112 G119 | K111-K115 PolarHBondContact O-N 3.17Å; I112-K115 PolarHBondContact O-N 2.89Å; K115-G119 PolarHBondContact O-N 3.47Å |
| 116 | R | 96.5 | Very high | 96.7 | Very high | 176 Ų | 176 | 110.6 Ų | 110.6 | 66% | 0.664 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.9 | -41.7 | 175 | -75.4 | 177.2 | 176.6 | -177 | -1.9 | 111.9 | I112 N113 N114 G119 L120 | I112-R116 WeakPolarHBondContact O-CG 3.3Å; I112-R116 PolarHBondContact O-N 2.89Å; N113-R116 PolarHBondContact O-N 3.08Å; N114-R116 VanDerWaalsContact C-N 3.32Å; N114-R116 PolarHBondContact O-N 3.11Å; R116-G119 PolarHBondContact O-N 2.9Å; R116-L120 WeakPolarHBondContact O-CB 3.21Å; R116-L120 PolarHBondContact O-N 3Å |
| 117 | Q | 96.5 | Very high | 96.9 | Very high | 126 Ų | 126 | 110.7 Ų | 110.7 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.9 | -42.3 | 176.1 | -72.6 | -64.8 | -11.8 | 0 | 0 | 111.9 | N113 N114 G119 L120 N121 | N113-Q117 WeakPolarHBondContact O-CG 3.36Å; N113-Q117 PolarHBondContact O-N 2.86Å; N114-Q117 PolarHBondContact O-N 3.2Å; N114-Q117 VanDerWaalsContact O-N 3.17Å; Q117-G119 PolarHBondContact O-N 3.27Å; Q117-L120 WeakPolarHBondContact O-CB 3.41Å; Q117-L120 PolarHBondContact O-N 2.81Å; Q117-N121 WeakPolarHBondContact O-CB 3.44Å; Q117-N121 PolarHBondContact O-N 3.44Å |
| 118 | Q | 96 | Very high | 97 | Very high | 116 Ų | 116 | 111.9 Ų | 111.9 | 54% | 0.542 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 172.1 | -73 | -178.6 | -14.1 | 0 | 0 | 111.4 | N114 L120 N121 C122 | N114-Q118 WeakPolarHBondContact O-CG 3.43Å; N114-Q118 PolarHBondContact O-N 2.87Å; N114-Q118 PolarHBondContact OD1-NE2 3.34Å; Q118-L120 VanDerWaalsContact C-N 3.3Å; Q118-L120 PolarHBondContact O-N 3.47Å; Q118-N121 PolarHBondContact O-N 2.84Å; Q118-C122 PolarHBondContact O-N 3.4Å; Q118-C122 PolarHBondContact O-SG 3.39Å |
| 119 | G | 97.2 | Very high | 97 | Very high | 30 Ų | 30 | 112.1 Ų | 112.1 | 31% | 0.309 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.6 | -26.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K115 R116 Q117 R123 | K115-G119 PolarHBondContact O-N 3.47Å; R116-G119 PolarHBondContact O-N 2.9Å; Q117-G119 PolarHBondContact O-N 3.27Å; G119-R123 WeakPolarHBondContact O-CG 3.33Å; G119-R123 PolarHBondContact O-N 2.94Å; G119-R123 PolarHBondContact O-NE 3.21Å; G119-R123 VanDerWaalsContact O-NE 3.15Å |
| 120 | L | 96.3 | Very high | 97 | Very high | 94 Ų | 94 | 111.2 Ų | 111.2 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.9 | -45.3 | 170.1 | -164.6 | 81.9 | 0 | 0 | 0 | 110.5 | R116 Q117 Q118 R123 Y124 | R116-L120 WeakPolarHBondContact O-CB 3.21Å; R116-L120 PolarHBondContact O-N 3Å; Q117-L120 WeakPolarHBondContact O-CB 3.41Å; Q117-L120 PolarHBondContact O-N 2.81Å; Q118-L120 VanDerWaalsContact C-N 3.3Å; Q118-L120 PolarHBondContact O-N 3.47Å; L120-R123 PolarHBondContact O-N 2.83Å; L120-Y124 PolarHBondContact O-N 3.32Å |
| 121 | N | 97.1 | Very high | 96.9 | Very high | 96 Ų | 96 | 107.8 Ų | 107.8 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 179.3 | -161.9 | 48.6 | 0 | 0 | 0 | 112.1 | Q117 Q118 R123 Y124 E125 | Q117-N121 WeakPolarHBondContact O-CB 3.44Å; Q117-N121 PolarHBondContact O-N 3.44Å; Q118-N121 PolarHBondContact O-N 2.84Å; N121-R123 VanDerWaalsContact C-N 3.3Å; N121-R123 PolarHBondContact O-N 3.25Å; N121-Y124 WeakPolarHBondContact O-CB 3.25Å; N121-Y124 PolarHBondContact O-N 3.5Å; N121-Y124 VanDerWaalsContact O-N 3.14Å; N121-E125 PolarHBondContact O-N 2.81Å |
| 122 | C | 96.6 | Very high | 96.9 | Very high | 85 Ų | 85 | 106.9 Ų | 106.9 | 57% | 0.574 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.9 | -38.6 | 175.7 | -65.5 | 0 | 0 | 0 | 0 | 112.4 | Q118 L126 | Q118-C122 PolarHBondContact O-N 3.4Å; Q118-C122 PolarHBondContact O-SG 3.39Å; C122-L126 WeakPolarHBondContact O-CB 3.05Å; C122-L126 PolarHBondContact O-N 3.47Å |
| 123 | R | 97.1 | Very high | 96.8 | Very high | 163 Ų | 163 | 110.9 Ų | 110.9 | 62% | 0.615 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.8 | -33.5 | 176.3 | -75.4 | -176.8 | -67.3 | 177.5 | 3.9 | 112.5 | G119 L120 N121 W127 | G119-R123 WeakPolarHBondContact O-CG 3.33Å; G119-R123 PolarHBondContact O-N 2.94Å; G119-R123 PolarHBondContact O-NE 3.21Å; G119-R123 VanDerWaalsContact O-NE 3.15Å; L120-R123 PolarHBondContact O-N 2.83Å; N121-R123 VanDerWaalsContact C-N 3.3Å; N121-R123 PolarHBondContact O-N 3.25Å; R123-W127 VanDerWaalsContact O-CB 3.3Å; R123-W127 WeakPolarHBondContact O-CB 3.41Å; R123-W127 PolarHBondContact O-N 2.89Å |
| 124 | Y | 97.7 | Very high | 96.7 | Very high | 133 Ų | 133 | 109.5 Ų | 109.5 | 52% | 0.522 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.7 | -44.4 | 174.8 | -179.6 | -100.4 | 0 | 0 | 0 | 111.7 | L120 N121 W127 K128 | L120-Y124 PolarHBondContact O-N 3.32Å; N121-Y124 WeakPolarHBondContact O-CB 3.25Å; N121-Y124 PolarHBondContact O-N 3.5Å; N121-Y124 VanDerWaalsContact O-N 3.14Å; Y124-W127 HydrophobicContact CD2-CE3 4.21Å; Y124-W127 HydrophobicContact CE2-CE3 4.06Å; Y124-W127 AromaticContact CE2-CZ3 3.98Å; Y124-W127 HydrophobicContact CE2-CZ3 3.98Å; Y124-W127 PolarHBondContact O-N 3.14Å; Y124-K128 WeakPolarHBondContact O-CB 3.27Å; Y124-K128 PolarHBondContact O-N 3.3Å |
| 125 | E | 97.3 | Very high | 96.5 | Very high | 78 Ų | 78 | 108 Ų | 108 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 174.5 | -67.5 | -59.8 | 155.1 | 0 | 0 | 111.8 | N121 W127 K128 E129 | N121-E125 PolarHBondContact O-N 2.81Å; E125-W127 VanDerWaalsContact C-N 3.34Å; E125-W127 PolarHBondContact O-N 2.95Å; E125-K128 WeakPolarHBondContact O-CB 3.48Å; E125-K128 PolarHBondContact O-N 3.24Å; E125-K128 VanDerWaalsContact O-N 3.15Å; E125-E129 PolarHBondContact O-N 3.01Å |
| 126 | L | 97.4 | Very high | 96.3 | Very high | 119 Ų | 119 | 105.1 Ų | 105.1 | 62% | 0.623 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62 | -41.9 | 176.2 | -161.7 | 79.7 | 0 | 0 | 0 | 112 | C122 K128 E129 D130 | C122-L126 WeakPolarHBondContact O-CB 3.05Å; C122-L126 PolarHBondContact O-N 3.47Å; L126-K128 VanDerWaalsContact C-N 3.33Å; L126-K128 PolarHBondContact O-N 2.87Å; L126-E129 PolarHBondContact O-N 2.9Å; L126-D130 WeakPolarHBondContact O-CB 3.46Å; L126-D130 PolarHBondContact O-N 3.49Å |
| 127 | W | 98.3 | Very high | 95.9 | Very high | 139 Ų | 139 | 102 Ų | 102 | 53% | 0.527 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -39.6 | 174.5 | 173.2 | 76.5 | 0 | 0 | 0 | 111.7 | R123 Y124 E125 D130 Q131 | R123-W127 VanDerWaalsContact O-CB 3.3Å; R123-W127 WeakPolarHBondContact O-CB 3.41Å; R123-W127 PolarHBondContact O-N 2.89Å; Y124-W127 HydrophobicContact CD2-CE3 4.21Å; Y124-W127 HydrophobicContact CE2-CE3 4.06Å; Y124-W127 AromaticContact CE2-CZ3 3.98Å; Y124-W127 HydrophobicContact CE2-CZ3 3.98Å; Y124-W127 PolarHBondContact O-N 3.14Å; E125-W127 VanDerWaalsContact C-N 3.34Å; E125-W127 PolarHBondContact O-N 2.95Å; W127-D130 PolarHBondContact O-N 3.2Å; W127-Q131 HydrophobicContact CD2-CG 4.16Å; W127-Q131 HydrophobicContact CH2-CG 4.23Å; W127-Q131 HydrophobicContact CZ2-CG 3.74Å; W127-Q131 WeakPolarHBondContact O-CG 3.35Å; W127-Q131 PolarHBondContact O-N 2.88Å |
| 128 | K | 97.4 | Very high | 95.6 | Very high | 90 Ų | 90 | 102.3 Ų | 102.3 | 39% | 0.391 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 177 | -176.4 | -176.6 | 173.8 | -168.5 | 0 | 112 | Y124 E125 L126 Q131 Q132 | Y124-K128 WeakPolarHBondContact O-CB 3.27Å; Y124-K128 PolarHBondContact O-N 3.3Å; E125-K128 WeakPolarHBondContact O-CB 3.48Å; E125-K128 PolarHBondContact O-N 3.24Å; E125-K128 VanDerWaalsContact O-N 3.15Å; L126-K128 VanDerWaalsContact C-N 3.33Å; L126-K128 PolarHBondContact O-N 2.87Å; K128-Q131 PolarHBondContact O-N 3.36Å; K128-Q132 WeakPolarHBondContact O-CG 3.25Å; K128-Q132 PolarHBondContact O-N 2.86Å; K128-Q132 VanDerWaalsContact O-N 3.08Å |
| 129 | E | 96.9 | Very high | 95.1 | Very high | 95 Ų | 95 | 102.8 Ų | 102.8 | 44% | 0.444 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 172.8 | -73.2 | -178.5 | -179.6 | 0 | 0 | 111.8 | E125 L126 Q132 R133 | E125-E129 PolarHBondContact O-N 3.01Å; L126-E129 PolarHBondContact O-N 2.9Å; E129-Q132 WeakPolarHBondContact O-CB 3.39Å; E129-Q132 PolarHBondContact O-N 3.47Å; E129-R133 WeakPolarHBondContact O-CG 3.26Å; E129-R133 PolarHBondContact O-N 3.48Å |
| 130 | D | 97.4 | Very high | 94.6 | Very high | 87 Ų | 87 | 108.7 Ų | 108.7 | 47% | 0.465 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 176.2 | -172.2 | 60.6 | 0 | 0 | 0 | 111.6 | L126 W127 Q132 R133 S134 | L126-D130 WeakPolarHBondContact O-CB 3.46Å; L126-D130 PolarHBondContact O-N 3.49Å; W127-D130 PolarHBondContact O-N 3.2Å; D130-Q132 VanDerWaalsContact C-N 3.29Å; D130-Q132 PolarHBondContact O-N 3.2Å; D130-R133 PolarHBondContact O-N 3.27Å; D130-R133 VanDerWaalsContact O-N 3.11Å; D130-S134 PolarHBondContact O-N 3.43Å; D130-S134 PolarHBondContact O-OG 3.31Å |
| 131 | Q | 95.6 | Very high | 93.9 | Very high | 96 Ų | 96 | 110.5 Ų | 110.5 | 45% | 0.449 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.1 | -38.8 | 173.3 | -69.6 | -60 | -69.3 | 0 | 0 | 112.6 | W127 K128 A135 | W127-Q131 HydrophobicContact CD2-CG 4.16Å; W127-Q131 HydrophobicContact CH2-CG 4.23Å; W127-Q131 HydrophobicContact CZ2-CG 3.74Å; W127-Q131 WeakPolarHBondContact O-CG 3.35Å; W127-Q131 PolarHBondContact O-N 2.88Å; K128-Q131 PolarHBondContact O-N 3.36Å; Q131-A135 WeakPolarHBondContact O-CB 3.29Å; Q131-A135 PolarHBondContact O-N 3.34Å |
| 132 | Q | 96 | Very high | 92.8 | Very high | 114 Ų | 114 | 112.9 Ų | 112.9 | 53% | 0.533 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.4 | -39.8 | 175.2 | -72.6 | 177.3 | -11.3 | 0 | 0 | 112.1 | K128 E129 D130 A135 L136 | K128-Q132 WeakPolarHBondContact O-CG 3.25Å; K128-Q132 PolarHBondContact O-N 2.86Å; K128-Q132 VanDerWaalsContact O-N 3.08Å; E129-Q132 WeakPolarHBondContact O-CB 3.39Å; E129-Q132 PolarHBondContact O-N 3.47Å; D130-Q132 VanDerWaalsContact C-N 3.29Å; D130-Q132 PolarHBondContact O-N 3.2Å; Q132-A135 PolarHBondContact O-N 3.11Å; Q132-L136 WeakPolarHBondContact O-CG 3.36Å; Q132-L136 PolarHBondContact O-N 3.38Å |
| 133 | R | 94.7 | Very high | 91.4 | Very high | 172 Ų | 172 | 115.8 Ų | 115.8 | 65% | 0.649 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.6 | -42.4 | 175.2 | -73.5 | 179.6 | -180 | -168.8 | 1.4 | 111.7 | E129 D130 L136 M137 | E129-R133 WeakPolarHBondContact O-CG 3.26Å; E129-R133 PolarHBondContact O-N 3.48Å; D130-R133 PolarHBondContact O-N 3.27Å; D130-R133 VanDerWaalsContact O-N 3.11Å; R133-L136 PolarHBondContact O-N 2.97Å; R133-M137 WeakPolarHBondContact O-CG 3.31Å; R133-M137 PolarHBondContact O-N 3.31Å |
| 134 | S | 94 | Very high | 89.8 | Confident | 47 Ų | 47 | 112.7 Ų | 112.7 | 33% | 0.329 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61 | -45 | 174.6 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | D130 L136 M137 E138 | D130-S134 PolarHBondContact O-N 3.43Å; D130-S134 PolarHBondContact O-OG 3.31Å; S134-L136 VanDerWaalsContact C-N 3.34Å; S134-L136 PolarHBondContact O-N 3Å; S134-M137 PolarHBondContact O-N 3.13Å; S134-M137 VanDerWaalsContact O-N 3.14Å; S134-E138 WeakPolarHBondContact O-CG 3.46Å; S134-E138 PolarHBondContact O-N 3.21Å |
| 135 | A | 93.4 | Very high | 87.8 | Confident | 54 Ų | 54 | 114.1 Ų | 114.1 | 45% | 0.446 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.4 | -41.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q131 Q132 E138 E139 | Q131-A135 WeakPolarHBondContact O-CB 3.29Å; Q131-A135 PolarHBondContact O-N 3.34Å; Q132-A135 PolarHBondContact O-N 3.11Å; A135-E138 PolarHBondContact O-N 3.48Å; A135-E139 PolarHBondContact O-N 3.07Å |
| 136 | L | 92.6 | Very high | 86 | Confident | 98 Ų | 98 | 116 Ų | 116 | 51% | 0.513 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.5 | -33.4 | 175.2 | -73.9 | 172.5 | 0 | 0 | 0 | 113 | Q132 R133 S134 K140 | Q132-L136 WeakPolarHBondContact O-CG 3.36Å; Q132-L136 PolarHBondContact O-N 3.38Å; R133-L136 PolarHBondContact O-N 2.97Å; S134-L136 VanDerWaalsContact C-N 3.34Å; S134-L136 PolarHBondContact O-N 3Å; L136-K140 WeakPolarHBondContact O-CG 3.3Å; L136-K140 PolarHBondContact O-N 3.36Å; L136-K140 VanDerWaalsContact O-N 3.07Å |
| 137 | M | 88.6 | Confident | 84.2 | Confident | 111 Ų | 111 | 116.3 Ų | 116.3 | 55% | 0.547 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -72.3 | -39.2 | 175.4 | -73 | -66.2 | -68.7 | 0 | 0 | 111.6 | R133 S134 K140 L141 | R133-M137 WeakPolarHBondContact O-CG 3.31Å; R133-M137 PolarHBondContact O-N 3.31Å; S134-M137 PolarHBondContact O-N 3.13Å; S134-M137 VanDerWaalsContact O-N 3.14Å; M137-K140 PolarHBondContact O-N 2.92Å; M137-L141 WeakPolarHBondContact O-CG 3.35Å; M137-L141 PolarHBondContact O-N 3.39Å |
| 138 | E | 89.6 | Confident | 82.4 | Confident | 132 Ų | 132 | 116.7 Ų | 116.7 | 62% | 0.617 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.9 | -40.7 | 172.9 | -73.5 | -178.2 | -178.1 | 0 | 0 | 111.5 | S134 A135 L141 L142 | S134-E138 WeakPolarHBondContact O-CG 3.46Å; S134-E138 PolarHBondContact O-N 3.21Å; A135-E138 PolarHBondContact O-N 3.48Å; E138-L141 PolarHBondContact O-N 3.43Å; E138-L142 WeakPolarHBondContact O-CB 3.37Å; E138-L142 PolarHBondContact O-N 3.31Å |
| 139 | E | 85.9 | Confident | 80.4 | Confident | 125 Ų | 125 | 117.9 Ų | 117.9 | 58% | 0.584 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.6 | -41.1 | 174.3 | -170.5 | 179 | -178 | 0 | 0 | 112.2 | A135 L141 L142 H143 | A135-E139 PolarHBondContact O-N 3.07Å; E139-L141 VanDerWaalsContact C-N 3.33Å; E139-L141 PolarHBondContact O-N 2.92Å; E139-L142 PolarHBondContact O-N 3.35Å; E139-H143 PolarHBondContact O-N 2.88Å |
| 140 | K | 86.6 | Confident | 78.6 | Confident | 154 Ų | 154 | 120.6 Ų | 120.6 | 67% | 0.67 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.5 | -33.3 | 174.4 | -76.8 | 177.8 | -178.8 | -178.5 | 0 | 113.1 | L136 M137 | L136-K140 WeakPolarHBondContact O-CG 3.3Å; L136-K140 PolarHBondContact O-N 3.36Å; L136-K140 VanDerWaalsContact O-N 3.07Å; M137-K140 PolarHBondContact O-N 2.92Å |
| 141 | L | 81.2 | Confident | 76.9 | Confident | 132 Ų | 132 | 121.4 Ų | 121.4 | 69% | 0.691 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -77.7 | -30.4 | 176.2 | -72.7 | 168.7 | 0 | 0 | 0 | 112.4 | M137 E138 E139 H143 | M137-L141 WeakPolarHBondContact O-CG 3.35Å; M137-L141 PolarHBondContact O-N 3.39Å; E138-L141 PolarHBondContact O-N 3.43Å; E139-L141 VanDerWaalsContact C-N 3.33Å; E139-L141 PolarHBondContact O-N 2.92Å; L141-H143 VanDerWaalsContact C-N 3.25Å; L141-H143 PolarHBondContact O-N 3.2Å |
| 142 | L | 75 | Confident | 75 | Confident | 146 Ų | 146 | 123.9 Ų | 123.9 | 76% | 0.764 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -75.6 | -12 | 175.6 | -114.9 | 79.1 | 0 | 0 | 0 | 113.9 | E138 E139 P144 | E138-L142 WeakPolarHBondContact O-CB 3.37Å; E138-L142 PolarHBondContact O-N 3.31Å; E139-L142 PolarHBondContact O-N 3.35Å; L142-P144 WeakPolarHBondContact O-CD 3.47Å |
| 143 | H | 65.9 | Low | 73.1 | Confident | 147 Ų | 147 | 127.7 Ų | 127.7 | 68% | 0.681 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -97.2 | 75 | 160.6 | -93.6 | -69.4 | 0 | 0 | 0 | 109.5 | E139 L141 F145 | E139-H143 PolarHBondContact O-N 2.88Å; L141-H143 VanDerWaalsContact C-N 3.25Å; L141-H143 PolarHBondContact O-N 3.2Å; H143-F145 PolarHBondContact O-N 3.48Å |
| 144 | P | 63.9 | Low | 71.3 | Confident | 98 Ų | 98 | 127.3 Ų | 127.3 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | | | trans | -61.5 | 112.2 | 165.4 | 27.7 | -29.8 | 0 | 0 | 0 | 105.5 | L142 V146 | L142-P144 WeakPolarHBondContact O-CD 3.47Å; P144-V146 VanDerWaalsContact C-N 3.29Å; P144-V146 PolarHBondContact O-N 3.17Å |
| 145 | F | 55.7 | Low | 69.5 | Low | 163 Ų | 163 | 133 Ų | 133 | 72% | 0.715 | 68% | 0.675 | S | S | * | * | | | trans | 1 | 81.3 | 154.5 | -143.6 | -131.9 | 0 | 0 | 0 | 111.9 | H143 E147 | H143-F145 PolarHBondContact O-N 3.48Å; F145-E147 HydrophobicContact CD1-CB 3.9Å; F145-E147 VanDerWaalsContact CD1-CD 3.45Å; F145-E147 HydrophobicContact CD1-CG 3.47Å; F145-E147 VanDerWaalsContact CD1-CG 3.47Å; F145-E147 HydrophobicContact CE1-CB 4.18Å; F145-E147 HydrophobicContact CE1-CG 3.27Å; F145-E147 WeakPolarHBondContact CE1-OE1 3.3Å; F145-E147 VanDerWaalsContact CE1-OE2 3.24Å; F145-E147 WeakPolarHBondContact CE1-OE2 3.41Å; F145-E147 HydrophobicContact CE2-CG 4.34Å; F145-E147 HydrophobicContact CG-CG 4.18Å; F145-E147 HydrophobicContact CZ-CG 3.69Å; F145-E147 WeakPolarHBondContact CZ-OE1 3.45Å; F145-E147 PolarHBondContact O-N 2.85Å |
| 146 | V | 59.5 | Low | 67.7 | Low | 117 Ų | 117 | 139.1 Ų | 139.1 | 71% | 0.709 | 70% | 0.699 | S | S | * | * | | | trans | -74 | 75.2 | 154.5 | -175.1 | 0 | 0 | 0 | 0 | 102.2 | P144 E148 | P144-V146 VanDerWaalsContact C-N 3.29Å; P144-V146 PolarHBondContact O-N 3.17Å; V146-E148 HydrophobicContact CG1-CG 4.08Å; V146-E148 PolarHBondContact O-N 2.92Å |
| 147 | E | 59.9 | Low | 65.7 | Low | 126 Ų | 126 | 140 Ų | 140 | 59% | 0.589 | 71% | 0.713 | S | S | * | * | | | trans | -60.5 | 91.2 | 151.7 | -105.8 | -179.5 | 174.4 | 0 | 0 | 103.8 | F145 D149 | F145-E147 HydrophobicContact CD1-CB 3.9Å; F145-E147 VanDerWaalsContact CD1-CD 3.45Å; F145-E147 HydrophobicContact CD1-CG 3.47Å; F145-E147 VanDerWaalsContact CD1-CG 3.47Å; F145-E147 HydrophobicContact CE1-CB 4.18Å; F145-E147 HydrophobicContact CE1-CG 3.27Å; F145-E147 WeakPolarHBondContact CE1-OE1 3.3Å; F145-E147 VanDerWaalsContact CE1-OE2 3.24Å; F145-E147 WeakPolarHBondContact CE1-OE2 3.41Å; F145-E147 HydrophobicContact CE2-CG 4.34Å; F145-E147 HydrophobicContact CG-CG 4.18Å; F145-E147 HydrophobicContact CZ-CG 3.69Å; F145-E147 WeakPolarHBondContact CZ-OE1 3.45Å; F145-E147 PolarHBondContact O-N 2.85Å; E147-D149 PolarHBondContact O-N 3.24Å |
| 148 | E | 60.3 | Low | 64.2 | Low | 146 Ų | 146 | 142.2 Ų | 142.2 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | | | trans | -50.1 | 90.8 | 157.5 | -93.9 | 174 | -174.1 | 0 | 0 | 106.2 | V146 E150 | V146-E148 HydrophobicContact CG1-CG 4.08Å; V146-E148 PolarHBondContact O-N 2.92Å; E148-E150 HydrophobicContact CB-CG 4.13Å; E148-E150 PolarHBondContact O-N 3.02Å |
| 149 | D | 55.5 | Low | 62.8 | Low | 116 Ų | 116 | 140.7 Ų | 140.7 | 62% | 0.62 | 73% | 0.731 | S | S | * | * | | | trans | -62.6 | 60.8 | 162.4 | -94.4 | -23.9 | 0 | 0 | 0 | 108.5 | E147 S151 | E147-D149 PolarHBondContact O-N 3.24Å; D149-S151 PolarHBondContact O-N 3.43Å |
| 150 | E | 60.5 | Low | 61.3 | Low | 151 Ų | 151 | 145 Ų | 145 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 1 | 170.1 | -72.5 | -148.1 | 152.8 | 0 | 0 | 111.7 | E148 | E148-E150 HydrophobicContact CB-CG 4.13Å; E148-E150 PolarHBondContact O-N 3.02Å |
| 151 | S | 59.9 | Low | 59.6 | Low | 105 Ų | 105 | 142.2 Ų | 142.2 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -2.5 | -179.3 | 71.9 | 0 | 0 | 0 | 0 | 115.4 | D149 | D149-S151 PolarHBondContact O-N 3.43Š|
| 152 | L | 56 | Low | 58.7 | Low | 147 Ų | 147 | 144.5 Ų | 144.5 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -116.6 | 8.4 | -174.1 | -116.8 | 146.5 | 0 | 0 | 0 | 116 | | |
| 153 | K | 57.4 | Low | 58.2 | Low | 194 Ų | 194 | 143.8 Ų | 143.8 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -104.7 | -1.3 | 179.4 | -82.3 | -179.6 | -179.7 | 170 | 0 | 116.6 | | |
| 154 | H | 56 | Low | 57.7 | Low | 164 Ų | 164 | 142.7 Ų | 142.7 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -109.4 | 87.4 | 173.3 | -79.4 | -76.1 | 0 | 0 | 0 | 110 | | |
| 155 | N | 55.3 | Low | 57.4 | Low | 168 Ų | 168 | 143.7 Ų | 143.7 | 90% | 0.898 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -176.3 | 13.8 | 159.3 | -92 | -30.4 | 0 | 0 | 0 | 116.8 | | |
| 156 | L | 56.7 | Low | 57.5 | Low | 181 Ų | 181 | 141.9 Ų | 141.9 | 95% | 0.948 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -128.4 | 29.8 | -175.4 | -94.7 | 163.5 | 0 | 0 | 0 | 115.4 | | |
| 157 | S | 51.1 | Low | 57.4 | Low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | | | trans | -131.7 | 71 | 173.2 | 63.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 158 | D | 57.3 | Low | 56.9 | Low | 158 Ų | 158 | 140.5 Ų | 140.5 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | | | trans | -153 | 134.4 | 163.2 | -135.9 | -10.8 | 0 | 0 | 0 | 110 | | |
| 159 | S | 58.6 | Low | 56.2 | Low | 100 Ų | 100 | 142.7 Ų | 142.7 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | trans | 80.1 | 91.9 | 178.4 | -45.7 | 0 | 0 | 0 | 0 | 117 | | |
| 160 | F | 54.2 | Low | 55.8 | Low | 215 Ų | 215 | 145.6 Ų | 145.6 | 94% | 0.943 | 78% | 0.782 | S | S | * | * | | | | -176.8 | 97.8 | 117.8 | -106.5 | -81.1 | 0 | 0 | 0 | 108.7 | | |
| 161 | S | 52.7 | Low | 55.4 | Low | 96 Ų | 96 | 142.7 Ų | 142.7 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | | | trans | -93.6 | 164.8 | 170.4 | 53.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 162 | E | 61.9 | Low | 54.8 | Low | 180 Ų | 180 | 144.4 Ų | 144.4 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | | | trans | 81.4 | 129.5 | 166.9 | -58.3 | 176 | 165.6 | 0 | 0 | 114.2 | | |
| 163 | D | 63.6 | Low | 54.4 | Low | 132 Ų | 132 | 144 Ų | 144 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | cis | -169.9 | 165.8 | 10.5 | -152.2 | -7.2 | 0 | 0 | 0 | 109.1 | | |
| 164 | D | 56.8 | Low | 53.9 | Low | 123 Ų | 123 | 141.3 Ų | 141.3 | 66% | 0.658 | 77% | 0.766 | S | S | * | * | | | trans | 81.3 | 96.1 | 153 | -63.6 | -40.8 | 0 | 0 | 0 | 122.4 | | |
| 165 | T | 57.5 | Low | 53.1 | Low | 119 Ų | 119 | 138 Ų | 138 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | | | | 34.3 | 141.8 | 119.3 | 21.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 166 | D | 57.7 | Low | 52.3 | Low | 126 Ų | 126 | 135.8 Ų | 135.8 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | | | cis | -173.4 | 155.3 | 40.6 | -150.1 | -2.7 | 0 | 0 | 0 | 112.6 | | |
| 167 | D | 56.6 | Low | 51.8 | Low | 146 Ų | 146 | 133.7 Ų | 133.7 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | | | trans | 66.8 | 118.7 | 148.2 | -75.4 | -31 | 0 | 0 | 0 | 125.2 | | |
| 168 | G | 49.5 | Very low | 51.5 | Low | 67 Ų | 67 | 132.5 Ų | 132.5 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | | | | 140.5 | 77.3 | 119.7 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 169 | Q | 45.6 | Very low | 50.6 | Low | 192 Ų | 192 | 134.4 Ų | 134.4 | 90% | 0.897 | 75% | 0.749 | S | S | * | * | | | trans | 71.6 | 96.1 | 139.4 | -62.7 | 179.3 | -93.2 | 0 | 0 | 123.5 | | |
| 170 | E | 47 | Very low | 50.1 | Low | 177 Ų | 177 | 135.2 Ų | 135.2 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | | | | 19.5 | 166.9 | 105.9 | -68.4 | -80 | 150.5 | 0 | 0 | 121.5 | | |
| 171 | P | 52.2 | Low | 49.6 | Very low | 90 Ų | 90 | 133.6 Ų | 133.6 | 58% | 0.584 | 75% | 0.748 | S | S | * | * | | | cis | -144.1 | -168.6 | -13 | 31.8 | -7.5 | 0 | 0 | 0 | 116.2 | | |
| 172 | L | 46.3 | Very low | 49.5 | Very low | 142 Ų | 142 | 135 Ų | 135 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | trans | 87.4 | 133.3 | 155.4 | -63.3 | 162.3 | 0 | 0 | 0 | 116.7 | | |
| 173 | E | 49.1 | Very low | 48.5 | Very low | 138 Ų | 138 | 132.7 Ų | 132.7 | 65% | 0.645 | 75% | 0.747 | S | S | * | * | | | cis | -175.8 | 150.3 | 27.1 | -115.9 | 168.6 | -138.7 | 0 | 0 | 112.5 | | |
| 174 | N | 45.2 | Very low | 47.2 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | | | trans | 71.3 | 143.8 | 137.1 | -63.8 | -15.1 | 0 | 0 | 0 | 120.9 | | |
| 175 | S | 40 | Very low | 46.4 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | | | cis | -172.7 | 135.9 | 6.7 | -166.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 176 | T | 39.2 | Very low | 45.8 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | | | trans | 34.8 | 139 | 137.1 | 65.5 | 0 | 0 | 0 | 0 | 124.1 | | |
| 177 | V | 45.3 | Very low | 44.8 | Very low | 137 Ų | 137 | 135 Ų | 135 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | | | | 168.8 | 99.5 | 123.6 | 166.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 178 | A | 44.9 | Very low | 44.1 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | | | | 84.1 | 109.1 | 89.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 179 | E | 38.7 | Very low | 43.6 | Very low | 198 Ų | 198 | 139.7 Ų | 139.7 | 93% | 0.925 | 76% | 0.762 | S | S | * | * | | | trans | -62.4 | 145.9 | 168.4 | -64 | 176.9 | 134.5 | 0 | 0 | 112.5 | | |
| 180 | S | 47.1 | Very low | 43.8 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | trans | -145.4 | 119.2 | 157.7 | 37 | 0 | 0 | 0 | 0 | 111.5 | | |
| 181 | K | 44.4 | Very low | 43.8 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 79% | 0.787 | 75% | 0.75 | S | S | * | * | | | trans | -65.2 | 159.2 | 166.9 | -67.3 | 170.9 | 175.1 | 174.9 | 0 | 111.3 | L183 | K181-L183 HydrophobicContact CB-CG 4.45Š|
| 182 | P | 50.8 | Low | 43.4 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -128 | 104.9 | 132.9 | 32.5 | -19.5 | 0 | 0 | 0 | 108.6 | | |
| 183 | L | 40.4 | Very low | 43.5 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | | | | 35.9 | 102.9 | 74.9 | -65 | -176.5 | 0 | 0 | 0 | 115.6 | K181 | K181-L183 HydrophobicContact CB-CG 4.45Š|
| 184 | L | 37.5 | Very low | 43.3 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | | | | 50.1 | 110.8 | 125.8 | -89.6 | 145.4 | 0 | 0 | 0 | 118.7 | | |
| 185 | N | 39.3 | Very low | 43.4 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | | | trans | -127.4 | 86.3 | 144.5 | -98.9 | -8.5 | 0 | 0 | 0 | 106.5 | | |
| 186 | S | 44.6 | Very low | 43.9 | Very low | 70 Ų | 70 | 139.1 Ų | 139.1 | 49% | 0.49 | 78% | 0.783 | S | S | . | * | | | | 63.3 | 89.9 | 88.7 | 74.7 | 0 | 0 | 0 | 0 | 113.3 | L188 | S186-L188 PolarHBondContact O-N 3.06Š|
| 187 | N | 36.6 | Very low | 44.4 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | | | trans | -47.9 | 115 | 150.2 | -72.8 | -46.8 | 0 | 0 | 0 | 109.1 | | |
| 188 | L | 43 | Very low | 44.2 | Very low | 139 Ų | 139 | 140 Ų | 140 | 73% | 0.728 | 78% | 0.781 | S | S | * | * | | | trans | -101.2 | 100 | 165.9 | -123 | 92.2 | 0 | 0 | 0 | 109 | S186 I190 | S186-L188 PolarHBondContact O-N 3.06Å; L188-I190 HydrophobicContact CD2-CD1 4.05Å; L188-I190 HydrophobicContact CD2-CG1 4.11Å |
| 189 | H | 38.5 | Very low | 44.5 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | | | trans | -65.9 | 121.1 | 157.2 | -172.7 | 56.5 | 0 | 0 | 0 | 107.9 | | |
| 190 | I | 48.9 | Very low | 44.7 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | trans | -122.7 | 125.1 | 165.7 | -62 | 179.6 | 0 | 0 | 0 | 107.6 | L188 | L188-I190 HydrophobicContact CD2-CD1 4.05Å; L188-I190 HydrophobicContact CD2-CG1 4.11Å |
| 191 | D | 46.8 | Very low | 45.1 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | | | trans | -51.6 | 153.6 | -179.1 | -112.4 | -32.5 | 0 | 0 | 0 | 114.7 | | |
| 192 | P | 44.6 | Very low | 45 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | trans | -91.6 | 151.5 | 178.3 | 37 | -28.5 | 0 | 0 | 0 | 111.9 | | |
| 193 | G | 47.7 | Very low | 44.8 | Very low | 67 Ų | 67 | 140.1 Ų | 140.1 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | | | trans | 143.3 | 98.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 194 | D | 45.7 | Very low | 45.2 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | | | | -174 | 125.9 | 116.7 | -95.2 | -18.9 | 0 | 0 | 0 | 110 | | |
| 195 | D | 47.7 | Very low | 45.5 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | | | trans | -56.2 | 147.9 | 176.9 | -60.1 | -62.9 | 0 | 0 | 0 | 112.7 | | |
| 196 | I | 50.6 | Low | 45.8 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 91% | 0.908 | 78% | 0.783 | S | S | * | * | | | trans | -162.7 | 131.5 | 134.5 | -88.5 | 138.8 | 0 | 0 | 0 | 110 | | |
| 197 | E | 49.4 | Very low | 45.7 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -56.8 | 136 | -173.8 | -77.6 | 169.6 | 123 | 0 | 0 | 118.6 | | |
| 198 | S | 41.3 | Very low | 46.2 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | | 57.9 | 137.5 | 127.4 | 77.7 | 0 | 0 | 0 | 0 | 122.6 | | |
| 199 | K | 50.3 | Low | 46.5 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | | | | 146.6 | 110.9 | 107.9 | -158.5 | 166.8 | -172.2 | 176 | 0 | 112.7 | E12 | E12-K199 IonicContact OE1-NZ 3.73Š|
| 200 | E | 43.5 | Very low | 46.3 | Very low | 190 Ų | 190 | 140.4 Ų | 140.4 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | trans | -81.7 | 151.3 | 166.3 | -63.9 | -172.4 | 159.1 | 0 | 0 | 111.7 | | |
| 201 | P | 55.3 | Low | 46.6 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -116.9 | 134.2 | 165.2 | 35.4 | -23.4 | 0 | 0 | 0 | 114.2 | | |
| 202 | S | 42.4 | Very low | 46.3 | Very low | 110 Ų | 110 | 142.8 Ų | 142.8 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | -81.9 | 142.2 | 170 | 56 | 0 | 0 | 0 | 0 | 113.6 | | |
| 203 | V | 46.5 | Very low | 46.5 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | 19.7 | 132 | 139.6 | -164 | 0 | 0 | 0 | 0 | 119.5 | | |
| 204 | D | 48.3 | Very low | 46.1 | Very low | 164 Ų | 164 | 146.1 Ų | 146.1 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | | | trans | -163.9 | 132.5 | 134.2 | -94.6 | -26.7 | 0 | 0 | 0 | 114.4 | | |
| 205 | N | 45.4 | Very low | 46.1 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | | | trans | -91.7 | 147.9 | 168.7 | -79.6 | -56.9 | 0 | 0 | 0 | 110.2 | | |
| 206 | N | 43.8 | Very low | 45.7 | Very low | 165 Ų | 165 | 148.2 Ų | 148.2 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | | | trans | 175.8 | 154.2 | 151.9 | -86.4 | -38.5 | 0 | 0 | 0 | 108.2 | | |
| 207 | A | 44.2 | Very low | 45.2 | Very low | 75 Ų | 75 | 146.5 Ų | 146.5 | 62% | 0.62 | 80% | 0.803 | S | S | * | * | | | cis | 178.9 | 150.1 | -19.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 208 | S | 46.8 | Very low | 44.5 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | | | trans | 70.6 | 145.5 | 154.8 | 79.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 209 | E | 48.2 | Very low | 44.2 | Very low | 186 Ų | 186 | 150.2 Ų | 150.2 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | | | cis | -151.4 | 157.4 | 29.2 | -71.9 | 177.5 | 132.8 | 0 | 0 | 112.1 | | |
| 210 | N | 35.4 | Very low | 43.9 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | | | trans | -83.9 | 159.4 | 173.4 | -105.5 | -52.8 | 0 | 0 | 0 | 111 | | |
| 211 | P | 54.2 | Low | 43.9 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | | | | -153.5 | 161.3 | 89.2 | 36.5 | -15.1 | 0 | 0 | 0 | 118.3 | | |
| 212 | K | 40.1 | Very low | 43.9 | Very low | 204 Ų | 204 | 145.9 Ų | 145.9 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | | | trans | -57.1 | 146 | 176.5 | -66.7 | 164 | 170.8 | 171.5 | 0 | 115.6 | | |
| 213 | A | 48.7 | Very low | 44 | Very low | 105 Ų | 105 | 148 Ų | 148 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | | | trans | -163.7 | 134.9 | 136.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 214 | N | 41 | Very low | 44.2 | Very low | 151 Ų | 151 | 150.4 Ų | 150.4 | 81% | 0.807 | 81% | 0.814 | S | S | * | * | | | trans | -75.4 | 149.7 | 178.9 | -77.3 | -33.4 | 0 | 0 | 0 | 113.9 | | |
| 215 | Q | 44 | Very low | 44 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | 164.1 | 105.8 | 133.4 | -90.3 | 161.1 | 84.7 | 0 | 0 | 108 | | |
| 216 | Q | 40 | Very low | 44.4 | Very low | 176 Ų | 176 | 147.6 Ų | 147.6 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | | | | 67.5 | 135.6 | 85.9 | -143 | -179 | 12.1 | 0 | 0 | 114.2 | | |
| 217 | I | 39.5 | Very low | 45 | Very low | 141 Ų | 141 | 147.7 Ų | 147.7 | 72% | 0.723 | 81% | 0.807 | S | S | * | * | | | trans | 93.1 | 86.9 | 163.4 | -51.8 | 170.4 | 0 | 0 | 0 | 113.9 | | |
| 218 | T | 34.6 | Very low | 45.2 | Very low | 109 Ų | 109 | 152.2 Ų | 152.2 | 67% | 0.669 | 82% | 0.815 | S | S | * | * | | | | 87.8 | 129.9 | 84 | 62.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 219 | W | 36.4 | Very low | 45.7 | Very low | 245 Ų | 245 | 152.2 Ų | 152.2 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | | | trans | 62.8 | 107.5 | 160.8 | -51.4 | 100.7 | 0 | 0 | 0 | 120.4 | | |
| 220 | A | 42.8 | Very low | 45.8 | Very low | 88 Ų | 88 | 150.9 Ų | 150.9 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | trans | -163.9 | 143.6 | 138.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 221 | V | 44.4 | Very low | 46.6 | Very low | 142 Ų | 142 | 149.3 Ų | 149.3 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | | | trans | -100.3 | 109.6 | 170.9 | 168 | 0 | 0 | 0 | 0 | 106 | | |
| 222 | E | 54.2 | Low | 46.1 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | | | trans | -149.3 | 109.5 | 171.2 | -63.4 | -176.4 | 158.2 | 0 | 0 | 104.1 | | |
| 223 | N | 46.3 | Very low | 46.4 | Very low | 154 Ų | 154 | 147 Ų | 147 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | | 42.5 | 90.8 | 86.2 | -76.2 | -4.2 | 0 | 0 | 0 | 113.3 | | |
| 224 | D | 48.9 | Very low | 46.1 | Very low | 171 Ų | 171 | 147.8 Ų | 147.8 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | | | trans | -103.6 | 98 | 157.6 | -79.9 | -30.7 | 0 | 0 | 0 | 108.1 | | |
| 225 | S | 45.9 | Very low | 46.1 | Very low | 95 Ų | 95 | 149.7 Ų | 149.7 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | | | trans | -83.5 | 145.1 | 149.9 | 51.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 226 | D | 53.7 | Low | 46 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | | | trans | 151.4 | 101 | 157.5 | -76.9 | -14.7 | 0 | 0 | 0 | 104.4 | | |
| 227 | D | 55.8 | Low | 46.1 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | | | | -146.1 | 124.9 | 69.9 | -73.7 | -45.2 | 0 | 0 | 0 | 111.7 | | |
| 228 | Q | 49 | Very low | 46.4 | Very low | 170 Ų | 170 | 147.4 Ų | 147.4 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | trans | -88.7 | 116.8 | 161.1 | -66.3 | -163.4 | 9.8 | 0 | 0 | 109.1 | | |
| 229 | S | 57.2 | Low | 46.9 | Very low | 112 Ų | 112 | 148 Ų | 148 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | | | trans | -95.6 | 93.5 | 155.9 | 62.3 | 0 | 0 | 0 | 0 | 108.3 | V231 | S229-V231 PolarHBondContact O-N 3.36Š|
| 230 | E | 50.6 | Low | 47.2 | Very low | 158 Ų | 158 | 142.8 Ų | 142.8 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | | | trans | -66.3 | 115.1 | 167.7 | -63.1 | -175.7 | 164.5 | 0 | 0 | 109.5 | | |
| 231 | V | 51.4 | Low | 47.4 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | | | trans | -100.8 | 91.5 | 158 | -172.9 | 0 | 0 | 0 | 0 | 106.7 | S229 F233 | S229-V231 PolarHBondContact O-N 3.36Å; V231-F233 HydrophobicContact CG1-CD2 4.18Å; V231-F233 HydrophobicContact CG1-CE2 4.32Å; V231-F233 PolarHBondContact O-N 2.98Å |
| 232 | S | 42.9 | Very low | 47.3 | Very low | 86 Ų | 86 | 143.4 Ų | 143.4 | 60% | 0.601 | 78% | 0.776 | S | S | * | * | | | trans | -73 | 108 | 172.2 | -158.1 | 0 | 0 | 0 | 0 | 109.2 | N234 | S232-N234 PolarHBondContact OG-ND2 2.81Å; S232-N234 VanDerWaalsContact OG-ND2 3.13Å |
| 233 | F | 47.6 | Very low | 47.2 | Very low | 198 Ų | 198 | 140.2 Ų | 140.2 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | | | trans | -95.7 | 97.2 | 158.3 | -98.8 | -88.5 | 0 | 0 | 0 | 107.6 | V231 | V231-F233 HydrophobicContact CG1-CD2 4.18Å; V231-F233 HydrophobicContact CG1-CE2 4.32Å; V231-F233 PolarHBondContact O-N 2.98Å |
| 234 | N | 42.8 | Very low | 47.5 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 64% | 0.642 | 77% | 0.77 | S | S | * | * | | | trans | -129.2 | 153.3 | 171.1 | -84 | -49.1 | 0 | 0 | 0 | 109.4 | S232 | S232-N234 PolarHBondContact OG-ND2 2.81Å; S232-N234 VanDerWaalsContact OG-ND2 3.13Å |
| 235 | F | 39.2 | Very low | 48.1 | Very low | 191 Ų | 191 | 140 Ų | 140 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | trans | 82 | 116.8 | 180 | -63.5 | -88.1 | 0 | 0 | 0 | 113.6 | | |
| 236 | V | 41.7 | Very low | 48.6 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 70% | 0.697 | 78% | 0.777 | S | S | * | * | | | | -154.2 | 137.1 | 50.3 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | R238 | V236-R238 HydrophobicContact CG1-CB 4.36Å; V236-R238 HydrophobicContact CG1-CG 4.07Å |
| 237 | P | 42.4 | Very low | 49 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | | | trans | -102.6 | 124.8 | 151.6 | 32.1 | -21.2 | 0 | 0 | 0 | 110.3 | | |
| 238 | R | 45.5 | Very low | 48.8 | Very low | 224 Ų | 224 | 143.1 Ų | 143.1 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | -132.4 | 97 | 164.6 | -90.8 | -175.1 | 161.4 | 173.8 | -4.4 | 107.3 | V236 | V236-R238 HydrophobicContact CG1-CB 4.36Å; V236-R238 HydrophobicContact CG1-CG 4.07Å |
| 239 | T | 45.6 | Very low | 49 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | | 60.3 | 114 | 96.4 | 63.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 240 | V | 43.4 | Very low | 48.6 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | trans | -54.5 | 134.1 | 170 | -169.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 241 | V | 47.1 | Very low | 48.5 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | | | trans | -143.9 | 126.6 | 153.3 | 175.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 242 | S | 42.7 | Very low | 48.1 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | -93.6 | 143.2 | 172 | -47.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 243 | S | 51.2 | Low | 48.1 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | | | trans | 168.4 | 108.9 | 149.4 | 54.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 244 | D | 52.2 | Low | 47.8 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | | | | 63.7 | 112.9 | 92.5 | -77 | -12.9 | 0 | 0 | 0 | 112.5 | | |
| 245 | D | 62.3 | Low | 48 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | | | trans | -169.9 | 106 | 142.2 | -87.2 | -30 | 0 | 0 | 0 | 108.4 | | |
| 246 | D | 55.7 | Low | 48.2 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | | | trans | -70 | 146 | 165.9 | -62.8 | -64.9 | 0 | 0 | 0 | 110.3 | | |
| 247 | D | 61.7 | Low | 48.4 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | | | trans | -164.5 | 114.6 | 143.3 | -97.5 | -30.8 | 0 | 0 | 0 | 111.4 | | |
| 248 | D | 52 | Low | 48.1 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | | | trans | -71.7 | 174.1 | 172.4 | -79.9 | -50.9 | 0 | 0 | 0 | 113.2 | | |
| 249 | S | 54.3 | Low | 47.8 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | 102.1 | 100.3 | 160.6 | 73.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 250 | N | 47.4 | Very low | 47.4 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | | | | 65.2 | 102.3 | 74.5 | -173 | 21.9 | 0 | 0 | 0 | 114.7 | | |
| 251 | C | 48.9 | Very low | 47.3 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | trans | -159.8 | 114.9 | 141.7 | 47 | 0 | 0 | 0 | 0 | 112.3 | | |
| 252 | N | 44.2 | Very low | 46.7 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | | | trans | -52.1 | 147.2 | 162.1 | -67.1 | -51.4 | 0 | 0 | 0 | 113 | | |
| 253 | A | 42.7 | Very low | 46.5 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | | 172.5 | 125.4 | 121.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 254 | L | 40.6 | Very low | 45.7 | Very low | 165 Ų | 165 | 134.9 Ų | 134.9 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | | | trans | -54.7 | -178.4 | 162.4 | -67.1 | 163.9 | 0 | 0 | 0 | 112.4 | | |
| 255 | P | 47.3 | Very low | 44.8 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | | | cis | -144.5 | 171.6 | 13.9 | 34.6 | -10.8 | 0 | 0 | 0 | 118.2 | | |
| 256 | C | 42.8 | Very low | 43.5 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | | | trans | -67.9 | 172 | 166.4 | -51.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 257 | P | 47.2 | Very low | 42.5 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | | | | -127 | 123.4 | 129.3 | 34 | -22.3 | 0 | 0 | 0 | 109.7 | | |
| 258 | T | 36.1 | Very low | 41.2 | Very low | 113 Ų | 113 | 122.8 Ų | 122.8 | 69% | 0.693 | 76% | 0.763 | S | S | * | * | | | | 66.9 | 132.1 | 64.1 | -23.1 | 0 | 0 | 0 | 0 | 115.9 | | |
| 259 | L | 39.1 | Very low | 40.6 | Very low | 147 Ų | 147 | 121.8 Ų | 121.8 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | trans | 90.6 | 131.5 | 159.3 | -49.2 | 176.3 | 0 | 0 | 0 | 115.2 | | |
| 260 | N | 35.6 | Very low | 40.4 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 68% | 0.679 | 76% | 0.76 | S | S | * | * | | | cis | -161.6 | 133.6 | 9 | -101.2 | -9.8 | 0 | 0 | 0 | 107.1 | | |
| 261 | V | 41.8 | Very low | 39.8 | Very low | 116 Ų | 116 | 120.1 Ų | 120.1 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | | | | 29.6 | 125.7 | 98.7 | -109.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 262 | D | 35.8 | Very low | 39.4 | Very low | 152 Ų | 152 | 124.7 Ų | 124.7 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | | -162.6 | 164.4 | 55.9 | -96.6 | -44.7 | 0 | 0 | 0 | 114.3 | | |
| 263 | S | 36.6 | Very low | 39 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | trans | -69.5 | 157 | -177.3 | -53.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 264 | T | 34.8 | Very low | 38.8 | Very low | 144 Ų | 144 | 122.5 Ų | 122.5 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | | | | 166.6 | 148.2 | 105.6 | 39.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 265 | A | 34.1 | Very low | 38.8 | Very low | 85 Ų | 85 | 123.1 Ų | 123.1 | 70% | 0.702 | 74% | 0.744 | S | S | * | * | | | trans | -59.7 | 169.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 266 | T | 34.3 | Very low | 38.5 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 76% | 0.761 | 74% | 0.735 | S | S | * | * | | | cis | -175.1 | 142 | 43.2 | -23.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 267 | S | 35 | Very low | 38.6 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | | | trans | 48.3 | 124.7 | 140.3 | 67.7 | 0 | 0 | 0 | 0 | 124.4 | | |
| 268 | A | 33.6 | Very low | 38.5 | Very low | 80 Ų | 80 | 123.4 Ų | 123.4 | 66% | 0.661 | 73% | 0.734 | S | S | * | * | | | | 72.9 | 102.2 | 123.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 269 | T | 41.4 | Very low | 39 | Very low | 132 Ų | 132 | 125.8 Ų | 125.8 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | | | | 68.2 | 161.8 | 92.1 | 55.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 270 | P | 49.9 | Very low | 39.2 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 75% | 0.747 | 74% | 0.737 | S | S | * | * | | | cis | -135 | -178.1 | -20.6 | 25.4 | -2.1 | 0 | 0 | 0 | 112.3 | | |
| 271 | A | 34.6 | Very low | 39.5 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | | | trans | -159.6 | 135.5 | 142.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 272 | Y | 39.5 | Very low | 39.6 | Very low | 221 Ų | 221 | 125.2 Ų | 125.2 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | | | trans | -64.8 | 177.6 | -176.8 | -107.8 | -110.4 | 0 | 0 | 0 | 116.2 | | |
| 273 | D | 35.2 | Very low | 40.3 | Very low | 142 Ų | 142 | 123.8 Ų | 123.8 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | | | trans | 99.4 | 131.7 | 154.9 | -87.1 | -1.7 | 0 | 0 | 0 | 116.7 | | |
| 274 | S | 39.7 | Very low | 40.7 | Very low | 64 Ų | 64 | 126.5 Ų | 126.5 | 45% | 0.448 | 75% | 0.751 | S | S | . | * | | | cis | 175.1 | 167.1 | -9.1 | 38.3 | 0 | 0 | 0 | 0 | 105.7 | | |
| 275 | H | 40.4 | Very low | 41 | Very low | 177 Ų | 177 | 126.4 Ų | 126.4 | 82% | 0.819 | 75% | 0.745 | S | S | * | * | | | trans | 75.1 | 141.2 | 162.9 | -54.2 | -62.9 | 0 | 0 | 0 | 116.2 | | |
| 276 | A | 40.3 | Very low | 41.6 | Very low | 70 Ų | 70 | 131.4 Ų | 131.4 | 58% | 0.579 | 75% | 0.751 | S | S | * | * | | | cis | -178.8 | 152.8 | 1.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 277 | E | 45.5 | Very low | 41.9 | Very low | 176 Ų | 176 | 130 Ų | 130 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | | | trans | 67.8 | 145.8 | 140.2 | -68.2 | 177.4 | -155.9 | 0 | 0 | 117.7 | | |
| 278 | T | 45.7 | Very low | 42.4 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | | | cis | -177.6 | 151.9 | 6.8 | 21.9 | 0 | 0 | 0 | 0 | 103.4 | | |
| 279 | E | 45.2 | Very low | 42.8 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | | 169.7 | 120.2 | 89.6 | -81.2 | -165 | 170.5 | 0 | 0 | 107.6 | | |
| 280 | L | 44.4 | Very low | 42.7 | Very low | 147 Ų | 147 | 134 Ų | 134 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | | 86 | 122.4 | 97.6 | -69 | 169.3 | 0 | 0 | 0 | 117.2 | | |
| 281 | S | 41.3 | Very low | 42.5 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | | | | 173.1 | 99.8 | 110.6 | -172.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 282 | V | 44.3 | Very low | 42.8 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | | | | 60.8 | 96.1 | 102.2 | -170.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 283 | S | 51.3 | Low | 42.8 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | | | | -172.2 | 66.8 | 129.4 | -75.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 284 | D | 43.4 | Very low | 43.4 | Very low | 154 Ų | 154 | 131.1 Ų | 131.1 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | | | trans | -61.7 | 141.5 | 145 | -84.3 | -44.1 | 0 | 0 | 0 | 108.8 | | |
| 285 | L | 42 | Very low | 43.3 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | | | trans | 178.1 | 129.9 | 130.6 | -98.7 | 141.8 | 0 | 0 | 0 | 110.6 | | |
| 286 | F | 46.4 | Very low | 43.5 | Very low | 190 Ų | 190 | 135.5 Ų | 135.5 | 83% | 0.833 | 77% | 0.773 | S | S | * | * | | | trans | 89.9 | 118.5 | 166.7 | -48.9 | -70.8 | 0 | 0 | 0 | 117.5 | | |
| 287 | A | 40.2 | Very low | 43.5 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | cis | -179.3 | 136.2 | -20.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 288 | K | 46.7 | Very low | 43.4 | Very low | 193 Ų | 193 | 135.6 Ų | 135.6 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | | | trans | -77.7 | 177.5 | 167.6 | -65.3 | 177.4 | 169.5 | 172.3 | 0 | 111.5 | | |
| 289 | P | 42.2 | Very low | 43.4 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | | -137.3 | 130 | 79.8 | 21.1 | 1.2 | 0 | 0 | 0 | 113.1 | | |
| 290 | S | 38.6 | Very low | 43.5 | Very low | 86 Ų | 86 | 135 Ų | 135 | 60% | 0.601 | 79% | 0.793 | S | S | * | * | | | | 48.9 | 116.8 | 96.9 | 64.5 | 0 | 0 | 0 | 0 | 115.9 | | |
| 291 | D | 45.4 | Very low | 43.6 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | | | | 179.3 | 118.4 | 114.3 | -81.1 | -13.9 | 0 | 0 | 0 | 113.1 | | |
| 292 | L | 41.8 | Very low | 43.7 | Very low | 158 Ų | 158 | 138 Ų | 138 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | | | trans | 58.3 | 127 | 132.9 | -63.5 | 156 | 0 | 0 | 0 | 122.3 | | |
| 293 | S | 38 | Very low | 43.9 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | 87.3 | 91.8 | 135.3 | -175.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 294 | S | 47.6 | Very low | 43.5 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | | 173.3 | 82.9 | 122.6 | 57.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 295 | D | 38.5 | Very low | 43.6 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | | | trans | -73.8 | 155.6 | 151.9 | -85.4 | -33.1 | 0 | 0 | 0 | 109.3 | | |
| 296 | L | 44.1 | Very low | 43.7 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | | | trans | 79.4 | 64.5 | 167.3 | -60.5 | 153.6 | 0 | 0 | 0 | 117.5 | | |
| 297 | A | 40.4 | Very low | 43.7 | Very low | 92 Ų | 92 | 144 Ų | 144 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | | | trans | -161.2 | 96.5 | 152.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 298 | L | 44.5 | Very low | 44.3 | Very low | 155 Ų | 155 | 149 Ų | 149 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -175.5 | 3.6 | 152.4 | -100 | 160.6 | 0 | 0 | 0 | 114.9 | L301 | L298-L301 HydrophobicContact CD2-CD1 4.46Š|
| 299 | A | 44.6 | Very low | 44.2 | Very low | 99 Ų | 99 | 148.5 Ų | 148.5 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -92.4 | 7.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 300 | N | 47 | Very low | 44.3 | Very low | 159 Ų | 159 | 146.2 Ų | 146.2 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | | | trans | -123.7 | 34.6 | -172.6 | -75.5 | -14.1 | 0 | 0 | 0 | 115.3 | | |
| 301 | L | 46.7 | Very low | 44.7 | Very low | 137 Ų | 137 | 150.2 Ų | 150.2 | 72% | 0.717 | 83% | 0.829 | S | S | * | * | | | trans | -103.6 | 16.4 | -175.4 | -106.5 | 147.7 | 0 | 0 | 0 | 115.7 | L298 | L298-L301 HydrophobicContact CD2-CD1 4.46Š|
| 302 | F | 44.4 | Very low | 44.5 | Very low | 186 Ų | 186 | 148.6 Ų | 148.6 | 82% | 0.816 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -135.2 | 129.5 | 170.9 | -76.1 | -88.1 | 0 | 0 | 0 | 109.9 | | |
| 303 | F | 48.6 | Very low | 44.4 | Very low | 212 Ų | 212 | 150.8 Ų | 150.8 | 93% | 0.93 | 83% | 0.832 | S | S | * | * | | | trans | 88.3 | 78.1 | -179.8 | -53.4 | -76.1 | 0 | 0 | 0 | 117.4 | | |
| 304 | D | 42.2 | Very low | 44.3 | Very low | 157 Ų | 157 | 150.3 Ų | 150.3 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | | | trans | -150.5 | 98.2 | 150.2 | -155.5 | 4.5 | 0 | 0 | 0 | 110.1 | | |
| 305 | D | 46.1 | Very low | 44 | Very low | 168 Ų | 168 | 148.8 Ų | 148.8 | 90% | 0.898 | 82% | 0.823 | S | S | * | * | | | trans | -160.6 | 76.8 | 170 | -127.3 | 4.4 | 0 | 0 | 0 | 109.6 | | |
| 306 | S | 44.3 | Very low | 43.8 | Very low | 109 Ų | 109 | 148.6 Ų | 148.6 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | | | trans | 179.2 | 97.4 | 144.1 | 64.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 307 | K | 46.1 | Very low | 43.5 | Very low | 204 Ų | 204 | 146.6 Ų | 146.6 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | | | trans | -141.3 | 112.9 | 149.9 | -76 | -167.1 | -179.4 | 179.6 | 0 | 109.2 | | |
| 308 | Q | 51.6 | Low | 43.4 | Very low | 200 Ų | 200 | 146.9 Ų | 146.9 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | | | trans | -131 | 114.3 | 156.6 | -151.9 | 177.1 | 20.3 | 0 | 0 | 107.7 | | |
| 309 | E | 45 | Very low | 43.3 | Very low | 182 Ų | 182 | 143.2 Ų | 143.2 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | | | trans | -80.1 | 154.3 | 177.9 | -66.5 | -175.6 | 158.2 | 0 | 0 | 111.8 | | |
| 310 | G | 44.9 | Very low | 43.1 | Very low | 70 Ų | 70 | 147.7 Ų | 147.7 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | | | trans | 82.5 | 102.7 | 145.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 311 | D | 47.6 | Very low | 42.8 | Very low | 170 Ų | 170 | 146.9 Ų | 146.9 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | | | | -174.9 | 146.6 | 81.3 | -116 | -24.4 | 0 | 0 | 0 | 112.3 | | |
| 312 | S | 40 | Very low | 42.3 | Very low | 102 Ų | 102 | 151.2 Ų | 151.2 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | | | trans | -70.4 | 143.2 | -178.2 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 313 | F | 41 | Very low | 42.2 | Very low | 205 Ų | 205 | 145.7 Ų | 145.7 | 90% | 0.899 | 80% | 0.801 | S | S | * | * | | | trans | -164.1 | 121.4 | 131.6 | -116.4 | -82.8 | 0 | 0 | 0 | 111.6 | | |
| 314 | S | 36 | Very low | 41.9 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | | | trans | -65 | 147.2 | 174.2 | 50.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 315 | A | 39.9 | Very low | 41.9 | Very low | 83 Ų | 83 | 142.3 Ų | 142.3 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | | | | 144.4 | 118.1 | 115.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 316 | N | 34.4 | Very low | 41.7 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | | | trans | 64.2 | 149.2 | 130.8 | -73.3 | -15.4 | 0 | 0 | 0 | 123.7 | | |
| 317 | V | 38.8 | Very low | 41.5 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | trans | 99.2 | 89.7 | 157 | -170.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 318 | S | 38.2 | Very low | 41.2 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | | | | 78.9 | 118.1 | 80.1 | 164.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 319 | G | 41.7 | Very low | 40.7 | Very low | 77 Ų | 77 | 135.3 Ų | 135.3 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | | | trans | -168.4 | 66.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 320 | Y | 40.7 | Very low | 40.5 | Very low | 193 Ų | 193 | 134.7 Ų | 134.7 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | | | trans | 3.3 | 122.9 | 157.5 | -84.1 | -100 | 0 | 0 | 0 | 121.9 | | |
| 321 | N | 41.3 | Very low | 40.3 | Very low | 142 Ų | 142 | 138 Ų | 138 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | | | | 42.7 | 134.8 | 125.9 | -65.6 | -26.6 | 0 | 0 | 0 | 121.6 | | |
| 322 | R | 36 | Very low | 39.7 | Very low | 228 Ų | 228 | 134.5 Ų | 134.5 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | | | | 175.7 | 117.1 | 102.3 | -173.8 | 169.6 | -151.5 | 172 | 5.4 | 115.2 | | |
| 323 | A | 41.3 | Very low | 39.4 | Very low | 71 Ų | 71 | 134.5 Ų | 134.5 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | | | trans | 46.7 | 142.4 | 137.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 324 | H | 42.9 | Very low | 39.1 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 70% | 0.704 | 74% | 0.741 | S | S | * | * | | | | -163.4 | 135.9 | 53.2 | -90.2 | -93.9 | 0 | 0 | 0 | 114.1 | | |
| 325 | L | 41.7 | Very low | 39.4 | Very low | 145 Ų | 145 | 135 Ų | 135 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | | | trans | 47.1 | 145.5 | 131.1 | -80.2 | 102.2 | 0 | 0 | 0 | 121.5 | | |
| 326 | S | 42 | Very low | 39.3 | Very low | 87 Ų | 87 | 138.2 Ų | 138.2 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | | | cis | 173.1 | 151.7 | -2.7 | 48.7 | 0 | 0 | 0 | 0 | 105.2 | | |
| 327 | R | 40.8 | Very low | 39.5 | Very low | 215 Ų | 215 | 134.6 Ų | 134.6 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | | | | 171.5 | 115.4 | 68.7 | -167.4 | 168.2 | -172.3 | 151.8 | 1.4 | 107.3 | | |
| 328 | N | 40.1 | Very low | 39.3 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | | | | 62.8 | 140.6 | 102.8 | -50.9 | -2.5 | 0 | 0 | 0 | 114.5 | | |
| 329 | A | 40.5 | Very low | 39.2 | Very low | 82 Ų | 82 | 135.8 Ų | 135.8 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | | | cis | -168.1 | 139.4 | 21 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 330 | E | 39.8 | Very low | 39.2 | Very low | 170 Ų | 170 | 137.5 Ų | 137.5 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | | | | 67.6 | 127.4 | 85.4 | -91.2 | -177.6 | -152.9 | 0 | 0 | 112.6 | | |
| 331 | L | 41 | Very low | 39.2 | Very low | 139 Ų | 139 | 134 Ų | 134 | 73% | 0.728 | 76% | 0.755 | S | S | * | * | | | cis | -173.7 | 156.6 | 35.5 | -90.1 | 148.4 | 0 | 0 | 0 | 112.9 | | |
| 332 | S | 36 | Very low | 39.2 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | | | trans | 43.3 | 125.6 | 141.7 | 64.3 | 0 | 0 | 0 | 0 | 121.2 | | |
| 333 | S | 33.4 | Very low | 39.4 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | | | | 74.9 | 130.5 | 58.4 | 99.4 | 0 | 0 | 0 | 0 | 117.5 | | |
| 334 | T | 33.8 | Very low | 39.4 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | | | trans | 82 | 115.4 | 164.7 | 69.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 335 | H | 42 | Very low | 39 | Very low | 182 Ų | 182 | 137.5 Ų | 137.5 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | | | | 176.8 | 137.3 | 113.2 | -162.5 | -81.2 | 0 | 0 | 0 | 111.7 | | |
| 336 | D | 37.9 | Very low | 39.1 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | | | trans | -59.8 | 161.4 | 174.2 | -68.5 | -54.2 | 0 | 0 | 0 | 115.1 | | |
| 337 | G | 39.5 | Very low | 39.3 | Very low | 78 Ų | 78 | 143.9 Ų | 143.9 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | 162.9 | 102.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 338 | S | 34.8 | Very low | 39.6 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | trans | -56.1 | 156.9 | 175.5 | 50.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 339 | L | 37 | Very low | 39.8 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | | | | 148.8 | 98.3 | 124.9 | -74.7 | 175 | 0 | 0 | 0 | 114.1 | | |
| 340 | S | 40.1 | Very low | 39.9 | Very low | 112 Ų | 112 | 147.7 Ų | 147.7 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | | | | 65.3 | 155.8 | 127.4 | 85.7 | 0 | 0 | 0 | 0 | 122.7 | | |
| 341 | P | 41.1 | Very low | 39.9 | Very low | 121 Ų | 121 | 146.9 Ų | 146.9 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | | | trans | -110.7 | 167 | -146.1 | 41.1 | -32.2 | 0 | 0 | 0 | 114.5 | | |
| 342 | K | 41.9 | Very low | 39.8 | Very low | 198 Ų | 198 | 146.3 Ų | 146.3 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | | | trans | -153.1 | 102.2 | 159.3 | -124.4 | 167.5 | -176.5 | 170.1 | 0 | 113.2 | | |
| 343 | E | 39.9 | Very low | 39.9 | Very low | 170 Ų | 170 | 151.4 Ų | 151.4 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | 11.5 | 129.3 | 137.6 | -58.2 | 177.3 | 156.7 | 0 | 0 | 118.1 | | |
| 344 | F | 40.7 | Very low | 39.9 | Very low | 217 Ų | 217 | 158.1 Ų | 158.1 | 95% | 0.952 | 81% | 0.812 | S | S | * | * | | | | -151.6 | 123.3 | 126.8 | -100.6 | -76.3 | 0 | 0 | 0 | 110.2 | | |
| 345 | S | 35 | Very low | 40.4 | Very low | 81 Ų | 81 | 158.5 Ų | 158.5 | 57% | 0.566 | 81% | 0.807 | S | S | * | * | | | trans | -81.3 | 155.1 | 179.4 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 346 | H | 43.7 | Very low | 40.3 | Very low | 180 Ų | 180 | 154.7 Ų | 154.7 | 83% | 0.833 | 80% | 0.798 | S | S | * | * | | | trans | 179 | 95.7 | 138.5 | -90.3 | -70.8 | 0 | 0 | 0 | 105.4 | | |
| 347 | K | 46.2 | Very low | 40.2 | Very low | 186 Ų | 186 | 156.4 Ų | 156.4 | 81% | 0.809 | 80% | 0.802 | S | S | * | * | | | | 49.3 | 107.8 | 76.1 | -66.4 | -167 | -177.7 | -176.2 | 0 | 114.7 | | |
| 348 | E | 46.9 | Very low | 40.1 | Very low | 177 Ų | 177 | 159.3 Ų | 159.3 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | | | trans | -179.7 | 106.3 | 135.9 | -95.5 | 164.1 | -152.7 | 0 | 0 | 106.9 | | |
| 349 | E | 45.1 | Very low | 40.3 | Very low | 177 Ų | 177 | 162 Ų | 162 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | | | | 64.2 | 109.3 | 99.6 | -68.3 | -178.2 | -176.9 | 0 | 0 | 111.3 | | |
| 350 | L | 41.8 | Very low | 40.4 | Very low | 173 Ų | 173 | 162.4 Ų | 162.4 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | | | | -160.1 | 137.1 | 76.3 | -79.5 | 166.9 | 0 | 0 | 0 | 112.4 | | |
| 351 | L | 40.8 | Very low | 40.2 | Very low | 152 Ų | 152 | 163.2 Ų | 163.2 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | | | trans | -84.6 | 163.1 | 177.8 | -97.1 | 147.3 | 0 | 0 | 0 | 112.4 | | |
| 352 | N | 39 | Very low | 40.3 | Very low | 127 Ų | 127 | 162.8 Ų | 162.8 | 68% | 0.679 | 80% | 0.802 | S | S | * | * | | | trans | 79.6 | 113.2 | 151.6 | -60.6 | -21.6 | 0 | 0 | 0 | 118.1 | | |
| 353 | F | 37.1 | Very low | 39.8 | Very low | 203 Ų | 203 | 156.8 Ų | 156.8 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | | | | -160.5 | 100.6 | 108.7 | -100.8 | -74.6 | 0 | 0 | 0 | 110.1 | | |
| 354 | R | 33.4 | Very low | 39.9 | Very low | 244 Ų | 244 | 156.8 Ų | 156.8 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | | | trans | -133.6 | 95.1 | 161.8 | -176.1 | -177.4 | -149 | 177.2 | 7.6 | 107.4 | | |
| 355 | I | 44.7 | Very low | 39.7 | Very low | 143 Ų | 143 | 152.8 Ų | 152.8 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | | | trans | -157.2 | 159.3 | 164.9 | -25 | 174.7 | 0 | 0 | 0 | 107.5 | | |
| 356 | P | 39.4 | Very low | 40 | Very low | 102 Ų | 102 | 154.8 Ų | 154.8 | 66% | 0.662 | 80% | 0.802 | S | S | * | * | | | | -125.8 | 161.3 | -82.4 | 38.3 | -23.1 | 0 | 0 | 0 | 112.8 | D358 | P356-D358 PolarHBondContact O-N 3.46Š|
| 357 | Q | 36 | Very low | 39.6 | Very low | 187 Ų | 187 | 152.5 Ų | 152.5 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | trans | -70.9 | 115.5 | 160.5 | -84 | -171.6 | -24.9 | 0 | 0 | 108.4 | | |
| 358 | D | 37.9 | Very low | 39.4 | Very low | 138 Ų | 138 | 149.5 Ų | 149.5 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | | | trans | 178.5 | 162.8 | 144.2 | -87 | -24.1 | 0 | 0 | 0 | 107.8 | P356 | P356-D358 PolarHBondContact O-N 3.46Š|
| 359 | H | 39.3 | Very low | 39.2 | Very low | 163 Ų | 163 | 149.6 Ų | 149.6 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | 61.4 | 93 | 173.9 | 68.1 | -84.6 | 0 | 0 | 0 | 118 | | |
| 360 | L | 38.8 | Very low | 39 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -164.3 | 76.2 | 138.6 | -99.6 | 167 | 0 | 0 | 0 | 109.8 | V362 | L360-V362 HydrophobicContact CD2-CG2 3.59Š|
| 361 | S | 34.8 | Very low | 38.9 | Very low | 129 Ų | 129 | 146.5 Ų | 146.5 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | | | trans | -79.1 | 105.8 | 154.4 | -60.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 362 | V | 42.9 | Very low | 39 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 68% | 0.679 | 79% | 0.785 | S | S | * | * | | | trans | -126.4 | 106.3 | 167.1 | 175.3 | 0 | 0 | 0 | 0 | 107.2 | L360 | L360-V362 HydrophobicContact CD2-CG2 3.59Š|
| 363 | G | 32.5 | Very low | 39.3 | Very low | 72 Ų | 72 | 146.2 Ų | 146.2 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | | | trans | -69.9 | 138.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 364 | L | 41.6 | Very low | 39.7 | Very low | 170 Ų | 170 | 144 Ų | 144 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | | | trans | -122.9 | 120.6 | 156.6 | -74.8 | 174.4 | 0 | 0 | 0 | 108.5 | | |
| 365 | N | 37.1 | Very low | 40 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | | | trans | -80.6 | 127.1 | -179.7 | 178.7 | 9.8 | 0 | 0 | 0 | 109.2 | N367 | N365-N367 PolarHBondContact OD1-OD1 3.06Š|
| 366 | C | 39.9 | Very low | 40 | Very low | 123 Ų | 123 | 143 Ų | 143 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | | | trans | -147.4 | 104 | 157.9 | 51.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 367 | N | 35.5 | Very low | 40.1 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | trans | -62.5 | 140.5 | 165.6 | -54 | -42.8 | 0 | 0 | 0 | 110.2 | N365 | N365-N367 PolarHBondContact OD1-OD1 3.06Š|
| 368 | T | 43.4 | Very low | 40.3 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | | | | -176.4 | 116.3 | 130 | 40.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 369 | E | 42.7 | Very low | 40.2 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | | | trans | 76.9 | 87.4 | 140.3 | -57.5 | -179.2 | -163.3 | 0 | 0 | 118.9 | | |
| 370 | S | 39.8 | Very low | 40.4 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | | | trans | -38.5 | 128.5 | 147.7 | 48.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 371 | L | 40.1 | Very low | 40.7 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | | | trans | -130.2 | 96.2 | 144 | -72.7 | 177.4 | 0 | 0 | 0 | 107.9 | L373 | L371-L373 PolarHBondContact O-N 3.32Š|
| 372 | S | 42.9 | Very low | 41.8 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 67% | 0.671 | 81% | 0.81 | S | S | * | * | | | trans | -61.4 | 117.9 | 173.3 | 40.8 | 0 | 0 | 0 | 0 | 110.5 | E374 | S372-E374 PolarHBondContact O-N 3.42Å; S372-E374 VanDerWaalsContact O-N 3.08Å |
| 373 | L | 45 | Very low | 41.7 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 93% | 0.932 | 82% | 0.816 | S | S | * | * | | | trans | -82.8 | 58.8 | 174.1 | -160.5 | 84.6 | 0 | 0 | 0 | 109.9 | L371 | L371-L373 PolarHBondContact O-N 3.32Š|
| 374 | E | 45 | Very low | 42.5 | Very low | 157 Ų | 157 | 145.2 Ų | 145.2 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | | | trans | -130.1 | 87.3 | 176.8 | -75.3 | 169.1 | 161.7 | 0 | 0 | 106.9 | S372 | S372-E374 PolarHBondContact O-N 3.42Å; S372-E374 VanDerWaalsContact O-N 3.08Å |
| 375 | N | 41.7 | Very low | 42.5 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | | | trans | 173.8 | 58.2 | 161 | -91.6 | -12.9 | 0 | 0 | 0 | 112.4 | | |
| 376 | F | 44.3 | Very low | 42.8 | Very low | 216 Ų | 216 | 140.9 Ų | 140.9 | 95% | 0.947 | 81% | 0.811 | S | S | * | * | | | trans | -151.6 | 56.7 | 160.6 | -77.6 | -67.9 | 0 | 0 | 0 | 111.9 | | |
| 377 | C | 40.8 | Very low | 43 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | | | trans | -138.2 | 74.3 | 163.7 | -90.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 378 | S | 39.8 | Very low | 43.5 | Very low | 131 Ų | 131 | 143 Ų | 143 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | | | trans | -170.6 | 129.8 | 165.2 | -78.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 379 | G | 36.6 | Very low | 43.6 | Very low | 70 Ų | 70 | 142.9 Ų | 142.9 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | | | trans | 141.6 | 66.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 380 | E | 43.6 | Very low | 43.6 | Very low | 192 Ų | 192 | 138 Ų | 138 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | | | | 73.9 | 96.3 | 86.4 | -156.6 | 167.9 | -159.4 | 0 | 0 | 111.9 | | |
| 381 | F | 44.7 | Very low | 43.6 | Very low | 196 Ų | 196 | 138 Ų | 138 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | | | trans | -81.4 | 139.6 | 172.6 | -78.2 | -93.5 | 0 | 0 | 0 | 109.9 | D383 | F381-D383 PolarHBondContact O-N 3.14Š|
| 382 | P | 57.3 | Low | 43.8 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -75.1 | 111.4 | 167 | 29.3 | -28.7 | 0 | 0 | 0 | 109.9 | | |
| 383 | D | 41.7 | Very low | 43.8 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | | | trans | -63.2 | 126.1 | 157.8 | 178.3 | 18.9 | 0 | 0 | 0 | 110.1 | F381 | F381-D383 PolarHBondContact O-N 3.14Š|
| 384 | S | 48.8 | Very low | 43.8 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | | | trans | -158.2 | 99 | 151.6 | 55.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 385 | G | 41.5 | Very low | 43.5 | Very low | 63 Ų | 63 | 138.9 Ų | 138.9 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | | | trans | -74.9 | -166 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 386 | D | 44.4 | Very low | 43.6 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | | | trans | 110.5 | 111 | 159.3 | -80.7 | -3.3 | 0 | 0 | 0 | 119.6 | | |
| 387 | Q | 43.1 | Very low | 43.3 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 77% | 0.771 | 81% | 0.81 | S | S | * | * | | | trans | 101.3 | 81.1 | 139.5 | -65.3 | -175.7 | 74.5 | 0 | 0 | 120.8 | | |
| 388 | V | 47.1 | Very low | 43.3 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | | | | 47.8 | 148.3 | 95.7 | -166.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 389 | P | 45.1 | Very low | 43 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | | | | -142.3 | -178.2 | -57.2 | 43.8 | -24.5 | 0 | 0 | 0 | 113.3 | | |
| 390 | G | 41.5 | Very low | 43.2 | Very low | 77 Ų | 77 | 142 Ų | 142 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | | | trans | 111.9 | 148.7 | 154.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 391 | S | 40.5 | Very low | 42.7 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | | | cis | -175.3 | 146.5 | -0.6 | 172.9 | 0 | 0 | 0 | 0 | 106.8 | | |
| 392 | S | 43.9 | Very low | 42.6 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | 74.8 | 148.4 | 153.6 | -61.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 393 | R | 44 | Very low | 41.9 | Very low | 225 Ų | 225 | 139.1 Ų | 139.1 | 85% | 0.849 | 79% | 0.793 | S | S | * | * | | | cis | 176.5 | 151.3 | -20.6 | -151.6 | 174.3 | 178.8 | -169.5 | -0.8 | 105.4 | | |
| 394 | S | 44 | Very low | 41.6 | Very low | 96 Ų | 96 | 143.7 Ų | 143.7 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | | | trans | 88.1 | 108.1 | 152.8 | -42.6 | 0 | 0 | 0 | 0 | 117.1 | | |
| 395 | K | 40 | Very low | 41.3 | Very low | 201 Ų | 201 | 146.9 Ų | 146.9 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | | 65.7 | 116.4 | 84.7 | -73.7 | 179.7 | 176.8 | 179.3 | 0 | 113.8 | | |
| 396 | S | 42.5 | Very low | 41.1 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | | | | -169.9 | 123.4 | 127.6 | -80.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 397 | R | 37.6 | Very low | 41.1 | Very low | 249 Ų | 249 | 145.6 Ų | 145.6 | 94% | 0.94 | 80% | 0.803 | S | S | * | * | | | trans | -76.3 | 143.9 | 159.7 | -73.7 | 161.4 | 70.2 | 168.8 | 1.7 | 108 | | |
| 398 | S | 41.1 | Very low | 41.1 | Very low | 116 Ų | 116 | 145 Ų | 145 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | | | trans | -138.6 | 106.3 | 159.4 | 58.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 399 | S | 34.1 | Very low | 40.8 | Very low | 106 Ų | 106 | 142.7 Ų | 142.7 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | | | trans | -78.9 | 138.7 | 157.4 | 57.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 400 | L | 41 | Very low | 40.7 | Very low | 163 Ų | 163 | 140.7 Ų | 140.7 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | | | trans | -126.5 | 108.6 | 163.5 | -76.3 | 173.4 | 0 | 0 | 0 | 109.5 | | |
| 401 | T | 32.7 | Very low | 41.1 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 76% | 0.761 | 82% | 0.815 | S | S | * | * | | | trans | -87 | 138.6 | 156.2 | 46.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 402 | F | 43.2 | Very low | 41.6 | Very low | 189 Ų | 189 | 145.8 Ų | 145.8 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | | | trans | -138.3 | 101.4 | 164.8 | -127.8 | -87.1 | 0 | 0 | 0 | 111.2 | | |
| 403 | D | 41.5 | Very low | 41.6 | Very low | 139 Ų | 139 | 146 Ų | 146 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | | | trans | 39.8 | 126.6 | 137.3 | -64.3 | -27.1 | 0 | 0 | 0 | 124.7 | | |
| 404 | R | 34.8 | Very low | 41.8 | Very low | 247 Ų | 247 | 140.4 Ų | 140.4 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | | | trans | -68.3 | 142.5 | 159.8 | -92.3 | 171.2 | 156.1 | 177.5 | -5.2 | 113.4 | | |
| 405 | L | 43.2 | Very low | 41.6 | Very low | 181 Ų | 181 | 143.5 Ų | 143.5 | 95% | 0.948 | 82% | 0.815 | S | S | * | * | | | trans | -141.9 | 129.9 | 144.5 | -87.6 | 154.2 | 0 | 0 | 0 | 104.3 | | |
| 406 | G | 38.5 | Very low | 41.4 | Very low | 58 Ų | 58 | 136.4 Ų | 136.4 | 60% | 0.598 | 80% | 0.798 | S | S | * | * | | | cis | 125 | 131 | 20.7 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 407 | T | 43.5 | Very low | 41.6 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | | | trans | 84.5 | 137 | 169 | 70.5 | 0 | 0 | 0 | 0 | 118.4 | | |
| 408 | D | 42.6 | Very low | 41.5 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | cis | -168.8 | 144.6 | -11.9 | -95 | -25.3 | 0 | 0 | 0 | 109.1 | | |
| 409 | G | 41.2 | Very low | 41.6 | Very low | 85 Ų | 85 | 139 Ų | 139 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | | | trans | 87.4 | 114.8 | 137.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 410 | G | 43.6 | Very low | 42.2 | Very low | 79 Ų | 79 | 144 Ų | 144 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | | | trans | 135.1 | 72.3 | 140 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 411 | M | 49.7 | Very low | 42.5 | Very low | 183 Ų | 183 | 145 Ų | 145 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | | | trans | 4.3 | 160 | 145.1 | -78.1 | -60.8 | 179.7 | 0 | 0 | 123.2 | | |
| 412 | P | 51.6 | Low | 42.9 | Very low | 107 Ų | 107 | 150.3 Ų | 150.3 | 70% | 0.695 | 81% | 0.814 | S | S | * | * | | | | -131.3 | -166.9 | -124.6 | 41.9 | -23.4 | 0 | 0 | 0 | 115.3 | | |
| 413 | S | 43.7 | Very low | 42.8 | Very low | 111 Ų | 111 | 152.7 Ų | 152.7 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | | | trans | 104.3 | 157.2 | 149.8 | -118.4 | 0 | 0 | 0 | 0 | 117.3 | | |
| 414 | P | 48 | Very low | 42.6 | Very low | 106 Ų | 106 | 149.5 Ų | 149.5 | 69% | 0.688 | 82% | 0.817 | S | S | * | * | | | | -129.5 | 171.5 | -91.1 | 35.8 | -18.4 | 0 | 0 | 0 | 112.1 | | |
| 415 | I | 39.9 | Very low | 43.2 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | | | trans | 163.3 | 127.7 | 145.7 | -88.8 | 149.7 | 0 | 0 | 0 | 110.4 | | |
| 416 | G | 35.2 | Very low | 43.3 | Very low | 52 Ų | 52 | 142.9 Ų | 142.9 | 54% | 0.536 | 81% | 0.805 | S | S | . | * | | | trans | 107.9 | 107.8 | 135.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 417 | Y | 46.1 | Very low | 43.8 | Very low | 230 Ų | 230 | 146.1 Ų | 146.1 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | trans | 95.5 | 127 | 142.1 | -43.7 | -70.8 | 0 | 0 | 0 | 118.9 | | |
| 418 | S | 35.6 | Very low | 44.1 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | | | trans | -84.1 | 138.6 | -165 | 48.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 419 | K | 43.6 | Very low | 44.7 | Very low | 204 Ų | 204 | 146.5 Ų | 146.5 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | | | trans | -145.8 | 110.7 | 151.3 | -153.9 | 168.8 | -175.9 | 177.6 | 0 | 108.7 | M421 | K419-M421 PolarHBondContact O-N 2.77Š|
| 420 | K | 46.4 | Very low | 45.4 | Very low | 210 Ų | 210 | 150.2 Ų | 150.2 | 91% | 0.913 | 81% | 0.805 | S | S | * | * | | | trans | -70.1 | 109.7 | 178.3 | -70.6 | 177.9 | 178.7 | 177.5 | 0 | 108.6 | | |
| 421 | M | 47.2 | Very low | 45.8 | Very low | 184 Ų | 184 | 148.9 Ų | 148.9 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 137.8 | 161.2 | -85 | -169.7 | 150.6 | 0 | 0 | 109.4 | K419 R423 | K419-M421 PolarHBondContact O-N 2.77Å; M421-R423 PolarHBondContact O-N 3.11Å |
| 422 | Y | 41.1 | Very low | 46.5 | Very low | 235 Ų | 235 | 143.9 Ų | 143.9 | 92% | 0.922 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 124.1 | 171.8 | -87.6 | -102.3 | 0 | 0 | 0 | 110.2 | G424 | Y422-G424 PolarHBondContact O-N 2.85Š|
| 423 | R | 41.7 | Very low | 47 | Very low | 240 Ų | 240 | 144.1 Ų | 144.1 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 116.7 | 160 | -100.9 | -170.9 | -178.3 | -122.4 | 3.5 | 107.2 | M421 L425 | M421-R423 PolarHBondContact O-N 3.11Å; R423-L425 PolarHBondContact O-N 3.1Å |
| 424 | G | 37.4 | Very low | 47.8 | Very low | 71 Ų | 71 | 142.4 Ų | 142.4 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 129.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y422 | Y422-G424 PolarHBondContact O-N 2.85Š|
| 425 | L | 47.2 | Very low | 48.5 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | | | trans | -79.9 | 112.4 | 163.5 | -67.9 | 172 | 0 | 0 | 0 | 106.6 | R423 L427 | R423-L425 PolarHBondContact O-N 3.1Å; L425-L427 PolarHBondContact O-N 3.36Å |
| 426 | V | 46.6 | Very low | 49.6 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | | | trans | -73.5 | 114 | 162.2 | 176.3 | 0 | 0 | 0 | 0 | 105.1 | | |
| 427 | L | 47.8 | Very low | 50.8 | Low | 126 Ų | 126 | 146.7 Ų | 146.7 | 66% | 0.66 | 75% | 0.749 | S | S | * | * | | | trans | -84.4 | 114.7 | 172.6 | -71.5 | 166.9 | 0 | 0 | 0 | 107.6 | L425 | L425-L427 PolarHBondContact O-N 3.36Š|
| 428 | D | 50.7 | Low | 51.5 | Low | 131 Ų | 131 | 141.8 Ų | 141.8 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | | | trans | -81.4 | 128 | 167.7 | -72.4 | -32.7 | 0 | 0 | 0 | 108.3 | D430 | D428-D430 VanDerWaalsContact C-N 3.27Å; D428-D430 PolarHBondContact O-N 2.94Å |
| 429 | N | 54.1 | Low | 52.7 | Low | 157 Ų | 157 | 141.9 Ų | 141.9 | 84% | 0.84 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 18.5 | -162.6 | -95.5 | -21.2 | 0 | 0 | 0 | 117 | | |
| 430 | D | 55.8 | Low | 53.4 | Low | 163 Ų | 163 | 137 Ų | 137 | 87% | 0.872 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.5 | 10.6 | -165.9 | -66.8 | -26.7 | 0 | 0 | 0 | 115.6 | D428 | D428-D430 VanDerWaalsContact C-N 3.27Å; D428-D430 PolarHBondContact O-N 2.94Å |
| 431 | S | 51.7 | Low | 53.9 | Low | 52 Ų | 52 | 129.8 Ų | 129.8 | 36% | 0.364 | 71% | 0.708 | S | S | . | * | | | trans | -111 | 110.7 | -178.4 | 177.9 | 0 | 0 | 0 | 0 | 112 | D433 D434 | S431-D433 PolarHBondContact O-N 2.97Å; S431-D433 VanDerWaalsContact O-N 3.15Å; S431-D433 PolarHBondContact OG-N 3.19Å; S431-D434 PolarHBondContact O-N 2.99Å |
| 432 | A | 64.6 | Low | 54.1 | Low | 77 Ų | 77 | 126.7 Ų | 126.7 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -63.4 | -13 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D434 | A432-D434 VanDerWaalsContact C-N 3.34Š|
| 433 | D | 61.8 | Low | 54.4 | Low | 113 Ų | 113 | 124.1 Ų | 124.1 | 60% | 0.604 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -81 | -15.3 | -175.5 | -55.8 | -23.8 | 0 | 0 | 0 | 112.5 | S431 L435 | S431-D433 PolarHBondContact O-N 2.97Å; S431-D433 VanDerWaalsContact O-N 3.15Å; S431-D433 PolarHBondContact OG-N 3.19Å; D433-L435 VanDerWaalsContact C-N 3.29Å; D433-L435 PolarHBondContact O-N 3.26Å |
| 434 | D | 61.4 | Low | 54.4 | Low | 75 Ų | 75 | 120.7 Ų | 120.7 | 40% | 0.401 | 69% | 0.693 | S | S | . | * | G | 310 helix | trans | -77.7 | -14.6 | 179 | -72 | -18.2 | 0 | 0 | 0 | 112.9 | S431 A432 | S431-D434 PolarHBondContact O-N 2.99Å; A432-D434 VanDerWaalsContact C-N 3.34Å |
| 435 | L | 62.2 | Low | 54.7 | Low | 125 Ų | 125 | 122.7 Ų | 122.7 | 65% | 0.654 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -29.3 | 174.7 | -91.3 | 140 | 0 | 0 | 0 | 112.8 | D433 L438 | D433-L435 VanDerWaalsContact C-N 3.29Å; D433-L435 PolarHBondContact O-N 3.26Å; L435-L438 PolarHBondContact O-N 2.89Å |
| 436 | E | 62.9 | Low | 54.6 | Low | 149 Ų | 149 | 120.4 Ų | 120.4 | 70% | 0.696 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -76.1 | -25.8 | -179.7 | -65.2 | -168.5 | 165.4 | 0 | 0 | 112.7 | L438 C439 S440 | E436-L438 VanDerWaalsContact C-N 3.31Å; E436-L438 PolarHBondContact O-N 3.39Å; E436-C439 PolarHBondContact O-N 3.15Å; E436-S440 PolarHBondContact O-OG 3.43Å |
| 437 | L | 61.4 | Low | 54.6 | Low | 136 Ų | 136 | 119.2 Ų | 119.2 | 71% | 0.712 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -71 | -22.1 | 174.2 | -92 | 116.4 | 0 | 0 | 0 | 113.6 | | |
| 438 | L | 60.6 | Low | 54.3 | Low | 127 Ų | 127 | 118.9 Ų | 118.9 | 67% | 0.665 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -81.1 | -18.3 | 179.6 | -69.6 | 170.4 | 0 | 0 | 0 | 113.3 | L435 E436 | L435-L438 PolarHBondContact O-N 2.89Å; E436-L438 VanDerWaalsContact C-N 3.31Å; E436-L438 PolarHBondContact O-N 3.39Å |
| 439 | C | 60.7 | Low | 54.4 | Low | 115 Ų | 115 | 120.9 Ų | 120.9 | 78% | 0.777 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -93.7 | -6.1 | -178.1 | -70.2 | 0 | 0 | 0 | 0 | 114.5 | E436 | E436-C439 PolarHBondContact O-N 3.15Š|
| 440 | S | 58.6 | Low | 53.6 | Low | 101 Ų | 101 | 118.7 Ų | 118.7 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | | | trans | -111.8 | 8.6 | -166.9 | -55.9 | 0 | 0 | 0 | 0 | 115.7 | E436 | E436-S440 PolarHBondContact O-OG 3.43Š|
| 441 | A | 55.8 | Low | 52.9 | Low | 60 Ų | 60 | 116.2 Ų | 116.2 | 50% | 0.496 | 69% | 0.693 | S | S | . | * | | | trans | -88 | 134.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 442 | P | 52.8 | Low | 52.6 | Low | 119 Ų | 119 | 123.1 Ų | 123.1 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | | | trans | -72.2 | 138.1 | -171.3 | 30.2 | -34.2 | 0 | 0 | 0 | 111.9 | I444 | P442-I444 PolarHBondContact O-N 3.49Š|
| 443 | F | 46.2 | Very low | 51.5 | Low | 181 Ų | 181 | 126 Ų | 126 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | | | trans | -72.3 | 111.6 | 176.5 | -67.5 | -82.8 | 0 | 0 | 0 | 110.6 | S445 | F443-S445 PolarHBondContact O-N 3.4Å; F443-S445 VanDerWaalsContact O-N 3.08Å |
| 444 | I | 43 | Very low | 50.6 | Low | 167 Ų | 167 | 126.2 Ų | 126.2 | 86% | 0.856 | 73% | 0.734 | S | S | * | * | | | trans | -67.7 | 101.9 | 172.5 | -60.1 | 168.1 | 0 | 0 | 0 | 108.4 | P442 | P442-I444 PolarHBondContact O-N 3.49Š|
| 445 | S | 43.6 | Very low | 49.8 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | | | trans | -74 | 130.8 | 166.1 | 77.9 | 0 | 0 | 0 | 0 | 109.9 | F443 | F443-S445 PolarHBondContact O-N 3.4Å; F443-S445 VanDerWaalsContact O-N 3.08Å |
| 446 | S | 44 | Very low | 48.7 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | | | trans | -86.1 | 125.9 | -176.2 | 50.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 447 | S | 46.9 | Very low | 47.8 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | | | trans | 80.2 | 118.7 | 154 | -167 | 0 | 0 | 0 | 0 | 120.9 | | |
| 448 | P | 40.7 | Very low | 46.9 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | trans | -106.6 | 145.8 | 160.4 | 36 | -24.8 | 0 | 0 | 0 | 112.4 | | |
| 449 | M | 53.2 | Low | 46.3 | Very low | 173 Ų | 173 | 131.1 Ų | 131.1 | 85% | 0.852 | 76% | 0.762 | S | S | * | * | | | trans | -101.3 | 145.9 | 162.9 | -82.9 | -72.6 | 153.5 | 0 | 0 | 110.2 | | |
| 450 | P | 38 | Very low | 46 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | | | trans | -91.6 | 137.3 | -166.3 | 35.1 | -31.3 | 0 | 0 | 0 | 111.7 | | |
| 451 | S | 41.4 | Very low | 45.5 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | | | | 171.9 | 139.2 | 120.6 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 452 | K | 45.5 | Very low | 45.2 | Very low | 198 Ų | 198 | 136.1 Ų | 136.1 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | | | trans | 72.3 | 92.7 | 155.9 | -76.3 | 172.7 | 175.5 | 175.4 | 0 | 119 | | |
| 453 | V | 40 | Very low | 45 | Very low | 136 Ų | 136 | 139 Ų | 139 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | trans | -57.8 | 139.2 | 149.7 | -170.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 454 | P | 42.6 | Very low | 45.2 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | | -142.3 | 144.4 | 96.1 | 34.5 | -17 | 0 | 0 | 0 | 115.8 | | |
| 455 | S | 44.5 | Very low | 45.5 | Very low | 84 Ų | 84 | 135.6 Ų | 135.6 | 59% | 0.587 | 76% | 0.763 | S | S | * | * | | | trans | 74.3 | 97.9 | 134.5 | -171.4 | 0 | 0 | 0 | 0 | 120.1 | Y457 | S455-Y457 WeakPolarHBondContact O-CD2 3.39Å; S455-Y457 WeakPolarHBondContact O-CE2 3.5Å |
| 456 | S | 39.1 | Very low | 45.7 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | | | | 45.2 | 95.5 | 128.4 | 173.6 | 0 | 0 | 0 | 0 | 118.9 | | |
| 457 | Y | 44.3 | Very low | 46 | Very low | 208 Ų | 208 | 136.5 Ų | 136.5 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | | | trans | -147.4 | 108.6 | 152.3 | -65.7 | -77.1 | 0 | 0 | 0 | 107.8 | S455 | S455-Y457 WeakPolarHBondContact O-CD2 3.39Å; S455-Y457 WeakPolarHBondContact O-CE2 3.5Å |
| 458 | H | 42.7 | Very low | 46 | Very low | 151 Ų | 151 | 142 Ų | 142 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | | 60.8 | 112.9 | 102 | -143.6 | -52.2 | 0 | 0 | 0 | 114.2 | D460 | H458-D460 VanDerWaalsContact C-N 3.26Å; H458-D460 IonicContact CE1-OD2 2.97Å; H458-D460 PolarHBondContact CE1-OD2 3.42Å; H458-D460 IonicContact ND1-OD2 3.03Å; H458-D460 PolarHBondContact ND1-OD2 3.45Å; H458-D460 PolarHBondContact O-N 2.89Å |
| 459 | L | 48.4 | Very low | 46.4 | Very low | 168 Ų | 168 | 143.7 Ų | 143.7 | 88% | 0.88 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 39.3 | -166.5 | -161.5 | 85.3 | 0 | 0 | 0 | 113.5 | | |
| 460 | D | 54.6 | Low | 45.7 | Very low | 124 Ų | 124 | 139 Ų | 139 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.2 | 2.9 | -177.6 | -69.7 | -56.5 | 0 | 0 | 0 | 114.9 | H458 | H458-D460 VanDerWaalsContact C-N 3.26Å; H458-D460 IonicContact CE1-OD2 2.97Å; H458-D460 PolarHBondContact CE1-OD2 3.42Å; H458-D460 IonicContact ND1-OD2 3.03Å; H458-D460 PolarHBondContact ND1-OD2 3.45Å; H458-D460 PolarHBondContact O-N 2.89Å |
| 461 | D | 47.3 | Very low | 46 | Very low | 133 Ų | 133 | 144 Ų | 144 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | | | trans | -108.5 | 13.7 | -172.3 | -75.3 | -25.7 | 0 | 0 | 0 | 115.4 | | |
| 462 | V | 50.8 | Low | 46.5 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 75% | 0.745 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -101.1 | 13.1 | -172.6 | -169.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 463 | L | 47.4 | Very low | 46.4 | Very low | 179 Ų | 179 | 139.1 Ų | 139.1 | 94% | 0.937 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -117.1 | 29.7 | 177.9 | -69.1 | 179.2 | 0 | 0 | 0 | 114.5 | | |
| 464 | D | 51.9 | Low | 46.6 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 65% | 0.647 | 76% | 0.764 | S | S | * | * | | | trans | -146.1 | 22.8 | 177.4 | -157.3 | 21.6 | 0 | 0 | 0 | 115.3 | N466 A467 | D464-N466 PolarHBondContact O-N 2.92Å; D464-A467 WeakPolarHBondContact OD1-CB 3.44Å |
| 465 | E | 49.5 | Very low | 46.8 | Very low | 157 Ų | 157 | 139 Ų | 139 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 1.8 | -173.5 | -153 | 149.3 | -160.4 | 0 | 0 | 114.7 | | |
| 466 | N | 47.8 | Very low | 46.8 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 92% | 0.92 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 7.1 | 170.1 | -78.4 | 23.3 | 0 | 0 | 0 | 114 | D464 | D464-N466 PolarHBondContact O-N 2.92Š|
| 467 | A | 50.2 | Low | 46.9 | Very low | 73 Ų | 73 | 145.4 Ų | 145.4 | 60% | 0.603 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -99.3 | 12.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | D464 | D464-A467 WeakPolarHBondContact OD1-CB 3.44Š|
| 468 | R | 45.9 | Very low | 46.7 | Very low | 220 Ų | 220 | 137.6 Ų | 137.6 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | | | trans | -110.7 | 18.5 | -168.9 | -129.5 | 179.3 | -177.4 | 163.3 | 4 | 116 | G470 | R468-G470 PolarHBondContact O-N 3.46Å; R468-G470 VanDerWaalsContact O-N 3.11Å |
| 469 | D | 49.9 | Very low | 46.9 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | trans | -76.1 | 96.4 | 163.4 | -86.6 | -13.8 | 0 | 0 | 0 | 109.3 | Y471 | D469-Y471 PolarHBondContact O-N 2.89Š|
| 470 | G | 38.6 | Very low | 46.6 | Very low | 75 Ų | 75 | 136.6 Ų | 136.6 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | trans | -59.1 | 102.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R468 | R468-G470 PolarHBondContact O-N 3.46Å; R468-G470 VanDerWaalsContact O-N 3.11Å |
| 471 | Y | 43.1 | Very low | 45.7 | Very low | 215 Ų | 215 | 135.4 Ų | 135.4 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 127.6 | 153.1 | -84.4 | -91.9 | 0 | 0 | 0 | 109 | D469 A473 | D469-Y471 PolarHBondContact O-N 2.89Å; Y471-A473 PolarHBondContact O-N 2.88Å |
| 472 | P | 53.4 | Low | 46.1 | Very low | 115 Ų | 115 | 138 Ų | 138 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 130.9 | 179 | 27.7 | -32.2 | 0 | 0 | 0 | 109.2 | S474 | P472-S474 PolarHBondContact O-N 3.3Å; P472-S474 VanDerWaalsContact O-N 3.11Å |
| 473 | A | 42.4 | Very low | 46.1 | Very low | 91 Ų | 91 | 141.2 Ų | 141.2 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 119.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110 | Y471 T475 | Y471-A473 PolarHBondContact O-N 2.88Å; A473-T475 PolarHBondContact O-N 2.9Å |
| 474 | S | 45.3 | Very low | 45.9 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -50 | 102.4 | 168.2 | -55.6 | 0 | 0 | 0 | 0 | 108.1 | P472 T476 | P472-S474 PolarHBondContact O-N 3.3Å; P472-S474 VanDerWaalsContact O-N 3.11Å; S474-T476 PolarHBondContact O-N 2.96Å |
| 475 | T | 44.8 | Very low | 45.6 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | -63.4 | 119.4 | 167.4 | 35.2 | 0 | 0 | 0 | 0 | 106.3 | A473 L477 | A473-T475 PolarHBondContact O-N 2.9Å; T475-L477 PolarHBondContact O-N 3.34Å; T475-L477 VanDerWaalsContact O-N 3.12Å |
| 476 | T | 45 | Very low | 45.7 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | -42.9 | 117.9 | 173.3 | 41.7 | 0 | 0 | 0 | 0 | 110 | S474 G478 | S474-T476 PolarHBondContact O-N 2.96Å; T476-G478 PolarHBondContact O-N 3.29Å |
| 477 | L | 41.4 | Very low | 45.8 | Very low | 194 Ų | 194 | 139.1 Ų | 139.1 | 100% | 1.016 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -61.2 | 78.8 | 170.6 | -96.4 | 154.5 | 0 | 0 | 0 | 109.6 | T475 | T475-L477 PolarHBondContact O-N 3.34Å; T475-L477 VanDerWaalsContact O-N 3.12Å |
| 478 | G | 40.4 | Very low | 45.7 | Very low | 44 Ų | 44 | 146.2 Ų | 146.2 | 45% | 0.454 | 81% | 0.811 | S | S | . | * | | | trans | -164.8 | 102.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 106 | T476 | T476-G478 PolarHBondContact O-N 3.29Š|
| 479 | N | 46.3 | Very low | 45.9 | Very low | 162 Ų | 162 | 143.2 Ų | 143.2 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | S | Bend | trans | 97.8 | 58 | 173.6 | -42.5 | -38.3 | 0 | 0 | 0 | 118.5 | | |
| 480 | V | 41.9 | Very low | 45.7 | Very low | 137 Ų | 137 | 140 Ų | 140 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | | | trans | -152.9 | 70 | 135 | -168.4 | 0 | 0 | 0 | 0 | 110.1 | K482 | V480-K482 PolarHBondContact O-N 2.9Š|
| 481 | A | 37.5 | Very low | 46 | Very low | 99 Ų | 99 | 140.3 Ų | 140.3 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -78.4 | 91.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 482 | K | 54.1 | Low | 46.2 | Very low | 186 Ų | 186 | 139.3 Ų | 139.3 | 81% | 0.809 | 81% | 0.812 | S | S | * | * | | | trans | 171 | 131.1 | 157.6 | -102.8 | 157 | -179.9 | 169.5 | 0 | 110.8 | V480 | V480-K482 PolarHBondContact O-N 2.9Š|
| 483 | K | 51.2 | Low | 45.7 | Very low | 192 Ų | 192 | 139.5 Ų | 139.5 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | S | Bend | trans | 88.4 | 81.4 | 174.3 | -67.4 | 179.5 | 165.7 | 178.9 | 0 | 116.5 | | |
| 484 | N | 44.2 | Very low | 45.9 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | | | | 175.9 | 91 | 109.1 | -83 | -24.3 | 0 | 0 | 0 | 109.1 | | |
| 485 | P | 45.5 | Very low | 45.7 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | | | trans | -79.7 | 134.1 | 153.6 | 33.8 | -25.6 | 0 | 0 | 0 | 107.7 | | |
| 486 | D | 50.1 | Low | 45.4 | Very low | 155 Ų | 155 | 141 Ų | 141 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | | | trans | 145.3 | 30.2 | 156.9 | -74.4 | -8.2 | 0 | 0 | 0 | 115.5 | | |
| 487 | L | 50.3 | Low | 45.8 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -145.2 | 35.5 | 171.9 | -140.2 | 75.8 | 0 | 0 | 0 | 116.5 | | |
| 488 | F | 48.8 | Very low | 45.8 | Very low | 222 Ų | 222 | 140.3 Ų | 140.3 | 97% | 0.974 | 81% | 0.812 | S | S | * | * | | | trans | -143.5 | 92.5 | 157.5 | -82.9 | -83 | 0 | 0 | 0 | 107.3 | | |
| 489 | D | 49 | Very low | 45.7 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 84% | 0.84 | 83% | 0.834 | S | S | * | * | | | trans | -126.8 | 121.6 | 169.7 | -166.9 | 20.7 | 0 | 0 | 0 | 110.2 | | |
| 490 | A | 46.1 | Very low | 45.6 | Very low | 87 Ų | 87 | 142.8 Ų | 142.8 | 72% | 0.719 | 83% | 0.827 | S | S | * | * | | | trans | 28.8 | 122.5 | 152 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 491 | G | 46.1 | Very low | 45.8 | Very low | 81 Ų | 81 | 144.9 Ų | 144.9 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | | | trans | -159.2 | 64.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 492 | E | 46.9 | Very low | 46.1 | Very low | 194 Ų | 194 | 148.1 Ų | 148.1 | 91% | 0.907 | 83% | 0.829 | S | S | * | * | | | trans | -52.7 | 133.1 | 163.8 | -62.1 | 174.6 | 151.2 | 0 | 0 | 110.2 | | |
| 493 | S | 42.7 | Very low | 45.7 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | | | trans | -160.8 | 111.7 | 144.6 | -164.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 494 | D | 46 | Very low | 45.3 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 84% | 0.835 | S | S | * | * | | | trans | -37.4 | 138.5 | 156.3 | -81.8 | -45.2 | 0 | 0 | 0 | 113.4 | | |
| 495 | S | 42.4 | Very low | 45.2 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | | | trans | -170.1 | 75.9 | 144.2 | 175.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 496 | S | 38 | Very low | 45 | Very low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 83% | 0.832 | S | S | * | * | | | trans | -87 | 102 | 161.3 | 53.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 497 | E | 53.1 | Low | 44.5 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 85% | 0.846 | 84% | 0.835 | S | S | * | * | | | trans | -149.5 | 143.3 | 163.8 | -77.8 | -163.6 | 138.9 | 0 | 0 | 111.3 | | |
| 498 | S | 40.8 | Very low | 44 | Very low | 127 Ų | 127 | 146.6 Ų | 146.6 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | | | trans | 92.4 | 52.8 | 175.5 | 77.7 | 0 | 0 | 0 | 0 | 118.5 | | |
| 499 | D | 39.8 | Very low | 43.5 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | | | trans | -88.1 | 105.6 | 142 | -165.8 | 17.4 | 0 | 0 | 0 | 107.1 | | |
| 500 | A | 42.7 | Very low | 43.1 | Very low | 88 Ų | 88 | 139.3 Ų | 139.3 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | | | trans | 174.1 | 81 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 501 | E | 47.1 | Very low | 42.7 | Very low | 181 Ų | 181 | 142.3 Ų | 142.3 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -178.3 | 96 | 147.3 | -106.7 | 172.2 | -159.3 | 0 | 0 | 107.6 | | |
| 502 | I | 42.7 | Very low | 42.3 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | S | Bend | trans | 175.9 | -8.3 | 150.9 | -86.8 | 150.3 | 0 | 0 | 0 | 110.7 | L504 | I502-L504 VanDerWaalsContact C-N 3.34Å; I502-L504 PolarHBondContact O-N 3.37Å |
| 503 | D | 45.4 | Very low | 41.8 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | | | trans | -87.5 | 21.5 | 177.8 | -90.1 | -3.5 | 0 | 0 | 0 | 116.2 | I505 | D503-I505 PolarHBondContact O-N 3.4Š|
| 504 | L | 43.8 | Very low | 41.7 | Very low | 165 Ų | 165 | 139.9 Ų | 139.9 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | | | trans | -94.1 | 21.4 | -175.2 | -117.1 | 156.1 | 0 | 0 | 0 | 115.3 | I502 | I502-L504 VanDerWaalsContact C-N 3.34Å; I502-L504 PolarHBondContact O-N 3.37Å |
| 505 | I | 42.6 | Very low | 41.3 | Very low | 142 Ų | 142 | 144 Ų | 144 | 73% | 0.728 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -131.6 | 101.4 | 178.8 | -55.4 | -179.6 | 0 | 0 | 0 | 109.5 | D503 | D503-I505 PolarHBondContact O-N 3.4Š|
| 506 | I | 39.8 | Very low | 41.2 | Very low | 147 Ų | 147 | 146.7 Ų | 146.7 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | | | trans | 91.6 | 54.2 | 163.8 | -45.1 | 147.2 | 0 | 0 | 0 | 115 | | |
| 507 | N | 40.7 | Very low | 41.3 | Very low | 167 Ų | 167 | 152.7 Ų | 152.7 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | | | trans | -90.3 | 84.7 | 136.9 | -113.2 | -22.5 | 0 | 0 | 0 | 107.2 | | |
| 508 | N | 39 | Very low | 40.7 | Very low | 141 Ų | 141 | 151.7 Ų | 151.7 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | | | trans | -156.7 | 114.3 | 158.1 | -108.4 | -13.9 | 0 | 0 | 0 | 108.5 | | |
| 509 | A | 39.3 | Very low | 40.9 | Very low | 71 Ų | 71 | 150.9 Ų | 150.9 | 59% | 0.587 | 80% | 0.804 | S | S | * | * | | | trans | 56 | 109.8 | 136.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 510 | D | 39.2 | Very low | 41.3 | Very low | 156 Ų | 156 | 149 Ų | 149 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | | | | 57 | 132.8 | 121.7 | -52.9 | -34 | 0 | 0 | 0 | 117.8 | | |
| 511 | N | 39.3 | Very low | 41.6 | Very low | 150 Ų | 150 | 147.9 Ų | 147.9 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | | | trans | 93.6 | 112.9 | 141.5 | -140.4 | -19.2 | 0 | 0 | 0 | 115.8 | S513 | N511-S513 PolarHBondContact O-N 2.83Š|
| 512 | P | 36.4 | Very low | 42.1 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | | | trans | -83 | 112.2 | -178 | 32.6 | -31.1 | 0 | 0 | 0 | 111.2 | | |
| 513 | S | 38 | Very low | 42.7 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -178.7 | 105.7 | 156.6 | 179.6 | 0 | 0 | 0 | 0 | 112.4 | N511 | N511-S513 PolarHBondContact O-N 2.83Š|
| 514 | S | 38.5 | Very low | 43.2 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | | | trans | 166.6 | 96 | 141.5 | 56.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 515 | R | 39.5 | Very low | 43.9 | Very low | 237 Ų | 237 | 141.4 Ų | 141.4 | 89% | 0.894 | 74% | 0.735 | S | S | * | * | | | | 34.9 | 101.1 | 92.6 | -73 | -173.6 | 179.6 | -175.3 | 1.1 | 114 | | |
| 516 | Q | 39.7 | Very low | 44.7 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | | | | 175.6 | 154.7 | 127.1 | -101 | 179.7 | -26.9 | 0 | 0 | 111 | | |
| 517 | R | 39.2 | Very low | 45.8 | Very low | 233 Ų | 233 | 140.3 Ų | 140.3 | 88% | 0.879 | 72% | 0.721 | S | S | * | * | | | trans | 87.8 | 63 | -176.7 | -54.9 | -174.6 | 179.5 | -152.6 | 1.4 | 113.4 | | |
| 518 | E | 41.7 | Very low | 46.9 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 75% | 0.748 | 70% | 0.7 | S | S | * | * | | | | 69.8 | 94.1 | 79.2 | -64.1 | 179.8 | 176.9 | 0 | 0 | 112.5 | L520 | E518-L520 PolarHBondContact O-N 3.4Š|
| 519 | S | 45.3 | Very low | 48.3 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 77% | 0.769 | 70% | 0.695 | S | S | * | * | | | trans | -20.9 | 116.8 | 146.9 | 52.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 520 | L | 46.9 | Very low | 49.6 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 69% | 0.686 | 68% | 0.683 | S | S | * | * | | | trans | -53.5 | 126.6 | 164.4 | -76.8 | 161.4 | 0 | 0 | 0 | 108.5 | E518 K522 | E518-L520 PolarHBondContact O-N 3.4Å; L520-K522 PolarHBondContact O-N 3.49Å |
| 521 | P | 49.2 | Very low | 50.9 | Low | 65 Ų | 65 | 131.7 Ų | 131.7 | 42% | 0.422 | 66% | 0.662 | S | S | . | * | | | trans | -63.5 | 129.5 | -179.8 | 25.3 | -32.4 | 0 | 0 | 0 | 108.4 | S523 R524 | P521-S523 PolarHBondContact O-N 2.89Å; P521-R524 HydrophobicContact CG-CB 4.42Å; P521-R524 HydrophobicContact CG-CG 4Å; P521-R524 PolarHBondContact O-N 2.87Å |
| 522 | K | 56.9 | Low | 52.3 | Low | 175 Ų | 175 | 131.7 Ų | 131.7 | 76% | 0.761 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -54.5 | -9.2 | 175.9 | -74 | 175.7 | 174.7 | 175.8 | 0 | 113.8 | L520 | L520-K522 PolarHBondContact O-N 3.49Å |
| 523 | S | 55.8 | Low | 53.8 | Low | 85 Ų | 85 | 131 Ų | 131 | 59% | 0.594 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -75 | -31 | 169 | 61.5 | 0 | 0 | 0 | 0 | 113.6 | P521 K526 H527 | P521-S523 PolarHBondContact O-N 2.89Å; S523-K526 PolarHBondContact O-N 2.73Å; S523-H527 PolarHBondContact O-N 3.41Å; S523-H527 VanDerWaalsContact O-N 3.16Å |
| 524 | R | 55.5 | Low | 55.3 | Low | 154 Ų | 154 | 130.4 Ų | 130.4 | 58% | 0.581 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -73.5 | -31.3 | 177.3 | -78.5 | -179.5 | 81.1 | 173 | 4 | 112.8 | P521 K526 H527 L528 | P521-R524 HydrophobicContact CG-CB 4.42Å; P521-R524 HydrophobicContact CG-CG 4Å; P521-R524 PolarHBondContact O-N 2.87Å; R524-K526 VanDerWaalsContact C-N 3.29Å; R524-K526 PolarHBondContact O-N 2.86Å; R524-H527 PolarHBondContact O-N 3.23Å; R524-L528 WeakPolarHBondContact O-CB 3.47Å; R524-L528 WeakPolarHBondContact O-CD1 3.41Å; R524-L528 VanDerWaalsContact O-CG 3.28Å; R524-L528 WeakPolarHBondContact O-CG 3.42Å; R524-L528 PolarHBondContact O-N 3.16Å |
| 525 | Q | 58.5 | Low | 56.7 | Low | 129 Ų | 129 | 129.9 Ų | 129.9 | 60% | 0.603 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.5 | -32.9 | 173.3 | -85 | -176 | -39.9 | 0 | 0 | 112.5 | Q529 | Q525-Q529 WeakPolarHBondContact O-CB 3.35Å; Q525-Q529 WeakPolarHBondContact O-CG 3.31Å; Q525-Q529 PolarHBondContact O-N 2.88Å |
| 526 | K | 60.4 | Low | 58 | Low | 160 Ų | 160 | 125.1 Ų | 125.1 | 70% | 0.696 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -74.6 | -36.6 | 174.6 | -64.9 | -172.7 | -179.4 | -173.4 | 0 | 112.4 | S523 R524 Q529 S530 | S523-K526 PolarHBondContact O-N 2.73Å; R524-K526 VanDerWaalsContact C-N 3.29Å; R524-K526 PolarHBondContact O-N 2.86Å; K526-Q529 PolarHBondContact O-N 2.91Å; K526-S530 PolarHBondContact O-N 3.46Å; K526-S530 PolarHBondContact O-OG 3.41Å; K526-S530 VanDerWaalsContact O-OG 3.09Å |
| 527 | H | 63 | Low | 59.2 | Low | 106 Ų | 106 | 120 Ų | 120 | 49% | 0.491 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.7 | -41.6 | 174.6 | -161.3 | -86.2 | 0 | 0 | 0 | 111.8 | S523 R524 S530 E531 | S523-H527 PolarHBondContact O-N 3.41Å; S523-H527 VanDerWaalsContact O-N 3.16Å; R524-H527 PolarHBondContact O-N 3.23Å; H527-S530 WeakPolarHBondContact CA-OG 3.37Å; H527-S530 PolarHBondContact O-N 3.39Å; H527-S530 PolarHBondContact O-OG 3.24Å; H527-E531 IonicContact CE1-OE1 3.54Å; H527-E531 PolarHBondContact CE1-OE1 3.23Å; H527-E531 IonicContact CE1-OE2 3.21Å; H527-E531 IonicContact ND1-OE1 2.9Å; H527-E531 PolarHBondContact ND1-OE1 3.44Å; H527-E531 IonicContact ND1-OE2 3.97Å; H527-E531 PolarHBondContact ND1-OE2 3.36Å; H527-E531 WeakPolarHBondContact O-CB 3.38Å; H527-E531 VanDerWaalsContact O-CG 3.3Å; H527-E531 WeakPolarHBondContact O-CG 3.32Å; H527-E531 PolarHBondContact O-N 2.94Å |
| 528 | L | 64.4 | Low | 60.2 | Low | 85 Ų | 85 | 116.1 Ų | 116.1 | 45% | 0.445 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.8 | -45.5 | 174.5 | -73.2 | 162.4 | 0 | 0 | 0 | 110.7 | R524 S530 E531 F532 | R524-L528 WeakPolarHBondContact O-CB 3.47Å; R524-L528 WeakPolarHBondContact O-CD1 3.41Å; R524-L528 VanDerWaalsContact O-CG 3.28Å; R524-L528 WeakPolarHBondContact O-CG 3.42Å; R524-L528 PolarHBondContact O-N 3.16Å; L528-S530 VanDerWaalsContact C-N 3.33Å; L528-S530 PolarHBondContact O-N 2.88Å; L528-E531 PolarHBondContact O-N 3.44Å; L528-F532 WeakPolarHBondContact O-CB 3.42Å; L528-F532 WeakPolarHBondContact O-CD2 3.27Å; L528-F532 PolarHBondContact O-N 3.23Å |
| 529 | Q | 66.8 | Low | 61.1 | Low | 139 Ų | 139 | 115.7 Ų | 115.7 | 65% | 0.65 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.8 | -34.9 | 176.6 | -78.3 | -174.3 | -16.2 | 0 | 0 | 113.3 | Q525 K526 L533 | Q525-Q529 WeakPolarHBondContact O-CB 3.35Å; Q525-Q529 WeakPolarHBondContact O-CG 3.31Å; Q525-Q529 PolarHBondContact O-N 2.88Å; K526-Q529 PolarHBondContact O-N 2.91Å; Q529-L533 WeakPolarHBondContact O-CB 3.45Å; Q529-L533 WeakPolarHBondContact O-CD1 3.48Å; Q529-L533 VanDerWaalsContact O-CG 3.26Å; Q529-L533 WeakPolarHBondContact O-CG 3.23Å; Q529-L533 PolarHBondContact O-N 3.14Å; Q529-L533 VanDerWaalsContact O-N 3.14Å |
| 530 | S | 67.8 | Low | 61.7 | Low | 49 Ų | 49 | 115.7 Ų | 115.7 | 34% | 0.343 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -72.5 | -40.8 | 173.6 | 56.2 | 0 | 0 | 0 | 0 | 112.3 | K526 H527 L528 F532 L533 D534 | K526-S530 PolarHBondContact O-N 3.46Å; K526-S530 PolarHBondContact O-OG 3.41Å; K526-S530 VanDerWaalsContact O-OG 3.09Å; H527-S530 WeakPolarHBondContact CA-OG 3.37Å; H527-S530 PolarHBondContact O-N 3.39Å; H527-S530 PolarHBondContact O-OG 3.24Å; L528-S530 VanDerWaalsContact C-N 3.33Å; L528-S530 PolarHBondContact O-N 2.88Å; S530-F532 VanDerWaalsContact C-N 3.35Å; S530-F532 PolarHBondContact O-N 2.68Å; S530-L533 PolarHBondContact O-N 3.44Å; S530-D534 WeakPolarHBondContact O-CB 3.31Å; S530-D534 PolarHBondContact O-N 3.13Å |
| 531 | E | 67.3 | Low | 61.9 | Low | 82 Ų | 82 | 112 Ų | 112 | 38% | 0.383 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.7 | -38.3 | 175.3 | -75.1 | 175.1 | 142.6 | 0 | 0 | 111.6 | H527 L528 D534 I535 | H527-E531 IonicContact CE1-OE1 3.54Å; H527-E531 PolarHBondContact CE1-OE1 3.23Å; H527-E531 IonicContact CE1-OE2 3.21Å; H527-E531 IonicContact ND1-OE1 2.9Å; H527-E531 PolarHBondContact ND1-OE1 3.44Å; H527-E531 IonicContact ND1-OE2 3.97Å; H527-E531 PolarHBondContact ND1-OE2 3.36Å; H527-E531 WeakPolarHBondContact O-CB 3.38Å; H527-E531 VanDerWaalsContact O-CG 3.3Å; H527-E531 WeakPolarHBondContact O-CG 3.32Å; H527-E531 PolarHBondContact O-N 2.94Å; L528-E531 PolarHBondContact O-N 3.44Å; E531-D534 PolarHBondContact O-N 2.9Å; E531-I535 VanDerWaalsContact O-CB 3.27Å; E531-I535 WeakPolarHBondContact O-CB 3.3Å; E531-I535 VanDerWaalsContact O-CD1 3.25Å; E531-I535 WeakPolarHBondContact O-CD1 3.25Å; E531-I535 WeakPolarHBondContact O-CG1 3.36Å; E531-I535 PolarHBondContact O-N 3.49Å |
| 532 | F | 68.6 | Low | 61.9 | Low | 150 Ų | 150 | 114.3 Ų | 114.3 | 66% | 0.658 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.1 | -38.9 | 174.2 | -90.2 | -79.1 | 0 | 0 | 0 | 112.2 | L528 S530 E536 | L528-F532 WeakPolarHBondContact O-CB 3.42Å; L528-F532 WeakPolarHBondContact O-CD2 3.27Å; L528-F532 PolarHBondContact O-N 3.23Å; S530-F532 VanDerWaalsContact C-N 3.35Å; S530-F532 PolarHBondContact O-N 2.68Å; F532-E536 VanDerWaalsContact O-CB 3.29Å; F532-E536 WeakPolarHBondContact O-CB 3.38Å; F532-E536 PolarHBondContact O-N 3.37Å |
| 533 | L | 68 | Low | 61.8 | Low | 108 Ų | 108 | 113.1 Ų | 113.1 | 57% | 0.565 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -75 | -33.6 | 177.5 | -72.1 | 169.6 | 0 | 0 | 0 | 112.9 | Q529 S530 A537 | Q529-L533 WeakPolarHBondContact O-CB 3.45Å; Q529-L533 WeakPolarHBondContact O-CD1 3.48Å; Q529-L533 VanDerWaalsContact O-CG 3.26Å; Q529-L533 WeakPolarHBondContact O-CG 3.23Å; Q529-L533 PolarHBondContact O-N 3.14Å; Q529-L533 VanDerWaalsContact O-N 3.14Å; S530-L533 PolarHBondContact O-N 3.44Å; L533-A537 WeakPolarHBondContact O-CB 3.43Å; L533-A537 PolarHBondContact O-N 3.02Å |
| 534 | D | 68.1 | Low | 61.7 | Low | 98 Ų | 98 | 115.6 Ų | 115.6 | 52% | 0.524 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -73.7 | -37.4 | 176.5 | -69.2 | -21.9 | 0 | 0 | 0 | 110.7 | S530 E531 A537 E538 | S530-D534 WeakPolarHBondContact O-CB 3.31Å; S530-D534 PolarHBondContact O-N 3.13Å; E531-D534 PolarHBondContact O-N 2.9Å; D534-A537 PolarHBondContact O-N 2.94Å; D534-E538 WeakPolarHBondContact O-CG 3.45Å; D534-E538 PolarHBondContact O-N 2.92Å |
| 535 | I | 68.5 | Low | 61.4 | Low | 98 Ų | 98 | 113.5 Ų | 113.5 | 50% | 0.503 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -69.4 | -36.8 | 172.8 | -63.4 | 162.8 | 0 | 0 | 0 | 111.1 | E531 A537 E538 L539 | E531-I535 VanDerWaalsContact O-CB 3.27Å; E531-I535 WeakPolarHBondContact O-CB 3.3Å; E531-I535 VanDerWaalsContact O-CD1 3.25Å; E531-I535 WeakPolarHBondContact O-CD1 3.25Å; E531-I535 WeakPolarHBondContact O-CG1 3.36Å; E531-I535 PolarHBondContact O-N 3.49Å; I535-A537 VanDerWaalsContact C-N 3.29Å; I535-A537 PolarHBondContact O-N 2.9Å; I535-E538 PolarHBondContact O-N 3.27Å; I535-L539 HydrophobicContact CG2-CD1 4.42Å; I535-L539 VanDerWaalsContact O-CG 3.3Å; I535-L539 WeakPolarHBondContact O-CG 3.43Å; I535-L539 PolarHBondContact O-N 3.5Å; I535-L539 VanDerWaalsContact O-N 3.13Å |
| 536 | E | 67.1 | Low | 61.2 | Low | 138 Ų | 138 | 109.9 Ų | 109.9 | 65% | 0.645 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67 | -30.7 | 173.5 | -168 | 175.6 | -166.5 | 0 | 0 | 112 | F532 | F532-E536 VanDerWaalsContact O-CB 3.29Å; F532-E536 WeakPolarHBondContact O-CB 3.38Å; F532-E536 PolarHBondContact O-N 3.37Å |
| 537 | A | 64.8 | Low | 61.2 | Low | 64 Ų | 64 | 109.5 Ų | 109.5 | 53% | 0.529 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -78 | -35.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L533 D534 I535 L539 S540 | L533-A537 WeakPolarHBondContact O-CB 3.43Å; L533-A537 PolarHBondContact O-N 3.02Å; D534-A537 PolarHBondContact O-N 2.94Å; I535-A537 VanDerWaalsContact C-N 3.29Å; I535-A537 PolarHBondContact O-N 2.9Å; A537-L539 VanDerWaalsContact C-N 3.32Å; A537-S540 PolarHBondContact O-N 2.68Å |
| 538 | E | 60.8 | Low | 60.7 | Low | 153 Ų | 153 | 113.3 Ų | 113.3 | 72% | 0.715 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.9 | -25.3 | 175.3 | -72.7 | -178.6 | -176 | 0 | 0 | 112.5 | D534 I535 S540 G541 | D534-E538 WeakPolarHBondContact O-CG 3.45Å; D534-E538 PolarHBondContact O-N 2.92Å; I535-E538 PolarHBondContact O-N 3.27Å; E538-S540 PolarHBondContact O-N 2.91Å; E538-G541 PolarHBondContact O-N 3.4Å |
| 539 | L | 59 | Low | 60.3 | Low | 150 Ų | 150 | 117.1 Ų | 117.1 | 79% | 0.785 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -7.7 | 170.8 | -71.1 | 173.8 | 0 | 0 | 0 | 113.9 | I535 A537 | I535-L539 HydrophobicContact CG2-CD1 4.42Å; I535-L539 VanDerWaalsContact O-CG 3.3Å; I535-L539 WeakPolarHBondContact O-CG 3.43Å; I535-L539 PolarHBondContact O-N 3.5Å; I535-L539 VanDerWaalsContact O-N 3.13Å; A537-L539 VanDerWaalsContact C-N 3.32Å |
| 540 | S | 58.1 | Low | 59.5 | Low | 110 Ų | 110 | 118.7 Ų | 118.7 | 77% | 0.769 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 8.5 | 173.9 | -159.3 | 0 | 0 | 0 | 0 | 113.8 | A537 E538 | A537-S540 PolarHBondContact O-N 2.68Å; E538-S540 PolarHBondContact O-N 2.91Å |
| 541 | G | 51.5 | Low | 59 | Low | 53 Ų | 53 | 122.8 Ų | 122.8 | 55% | 0.546 | 69% | 0.689 | S | S | . | * | | | trans | -122.4 | 66 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E538 D543 | E538-G541 PolarHBondContact O-N 3.4Å; G541-D543 VanDerWaalsContact C-N 3.26Å; G541-D543 PolarHBondContact O-N 2.84Å |
| 542 | S | 48.3 | Very low | 58.1 | Low | 114 Ų | 114 | 125.7 Ų | 125.7 | 80% | 0.797 | 71% | 0.707 | S | S | * | * | | | trans | -72.3 | 86.3 | 166.3 | 178.3 | 0 | 0 | 0 | 0 | 109.4 | D544 | S542-D544 PolarHBondContact O-N 3.29Å; S542-D544 VanDerWaalsContact O-N 3.11Å |
| 543 | D | 55.6 | Low | 57.1 | Low | 150 Ų | 150 | 126 Ų | 126 | 80% | 0.802 | 72% | 0.716 | S | S | * | * | | | trans | -69.8 | 80.4 | 158.9 | -168.5 | 20.6 | 0 | 0 | 0 | 107.9 | G541 | G541-D543 VanDerWaalsContact C-N 3.26Å; G541-D543 PolarHBondContact O-N 2.84Å |
| 544 | D | 53 | Low | 56 | Low | 138 Ų | 138 | 125.4 Ų | 125.4 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | | | trans | -100.5 | 85.6 | 167.8 | -164.5 | 22.4 | 0 | 0 | 0 | 108.3 | S542 G546 | S542-D544 PolarHBondContact O-N 3.29Å; S542-D544 VanDerWaalsContact O-N 3.11Å; D544-G546 PolarHBondContact O-N 2.81Å; D544-G546 VanDerWaalsContact O-N 3.07Å |
| 545 | S | 49.3 | Very low | 55.1 | Low | 109 Ų | 109 | 128.1 Ų | 128.1 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | | | trans | -76.5 | 75.9 | 163.2 | 63.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 546 | G | 55.5 | Low | 54.2 | Low | 54 Ų | 54 | 130.5 Ų | 130.5 | 56% | 0.557 | 74% | 0.736 | S | S | * | * | | | trans | -84.1 | 107.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | D544 E548 | D544-G546 PolarHBondContact O-N 2.81Å; D544-G546 VanDerWaalsContact O-N 3.07Å; G546-E548 PolarHBondContact O-N 3.48Å |
| 547 | D | 60.4 | Low | 53.7 | Low | 152 Ų | 152 | 134.5 Ų | 134.5 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | | | trans | -41.5 | 116.8 | 170.2 | -154.9 | 6.9 | 0 | 0 | 0 | 112.1 | E549 | D547-E549 PolarHBondContact O-N 3.37Š|
| 548 | E | 51.5 | Low | 53.1 | Low | 185 Ų | 185 | 140.3 Ų | 140.3 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | | | trans | -74.4 | 102.9 | 173.6 | -67.6 | -163.6 | -179.8 | 0 | 0 | 108.8 | G546 | G546-E548 PolarHBondContact O-N 3.48Š|
| 549 | E | 56.2 | Low | 52.6 | Low | 166 Ų | 166 | 141.8 Ų | 141.8 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | -75.2 | 125.2 | 159.5 | -71.3 | -147.7 | 175.1 | 0 | 0 | 109.3 | D547 V551 | D547-E549 PolarHBondContact O-N 3.37Å; E549-V551 WeakPolarHBondContact O-CG2 3.3Å; E549-V551 PolarHBondContact O-N 2.83Å |
| 550 | D | 51.1 | Low | 52.2 | Low | 171 Ų | 171 | 141.2 Ų | 141.2 | 91% | 0.914 | 77% | 0.768 | S | S | * | * | | | trans | -45.4 | 99.3 | 167.4 | -73.4 | -50.5 | 0 | 0 | 0 | 111 | | |
| 551 | V | 56.5 | Low | 51.7 | Low | 136 Ų | 136 | 144.6 Ų | 144.6 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | | | trans | -106.3 | 95.8 | 166.2 | -158 | 0 | 0 | 0 | 0 | 108.5 | E549 | E549-V551 WeakPolarHBondContact O-CG2 3.3Å; E549-V551 PolarHBondContact O-N 2.83Å |
| 552 | D | 49.3 | Very low | 51.7 | Low | 142 Ų | 142 | 148 Ų | 148 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | trans | 9.8 | 117.3 | 152.5 | -147.8 | 5.2 | 0 | 0 | 0 | 116.6 | N554 | D552-N554 VanDerWaalsContact C-N 3.28Å; D552-N554 PolarHBondContact O-N 2.82Å |
| 553 | D | 47.1 | Very low | 51.8 | Low | 157 Ų | 157 | 147.5 Ų | 147.5 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | | | trans | -53.9 | 82.3 | 167 | -70.5 | -47.4 | 0 | 0 | 0 | 111.3 | | |
| 554 | N | 44.8 | Very low | 51.8 | Low | 96 Ų | 96 | 144 Ų | 144 | 51% | 0.513 | 75% | 0.753 | S | S | . | * | | | trans | -135.6 | 79.4 | 169.2 | -154.7 | 56.6 | 0 | 0 | 0 | 109.6 | D552 E556 | D552-N554 VanDerWaalsContact C-N 3.28Å; D552-N554 PolarHBondContact O-N 2.82Å; N554-E556 PolarHBondContact ND2-OE1 3.39Å; N554-E556 PolarHBondContact O-N 2.85Å |
| 555 | D | 49.5 | Very low | 51.9 | Low | 154 Ų | 154 | 142.2 Ų | 142.2 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | | | | 20.9 | 26.7 | 128.1 | -48.4 | -8.7 | 0 | 0 | 0 | 120.5 | | |
| 556 | E | 49.5 | Very low | 52.2 | Low | 148 Ų | 148 | 140.7 Ų | 140.7 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | | | trans | -102.5 | 10 | -174.3 | -89.1 | 174 | 175.7 | 0 | 0 | 114.4 | N554 | N554-E556 PolarHBondContact ND2-OE1 3.39Å; N554-E556 PolarHBondContact O-N 2.85Å |
| 557 | Y | 55.5 | Low | 52.3 | Low | 223 Ų | 223 | 145 Ų | 145 | 88% | 0.875 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 19.7 | 176.1 | -76.7 | -80.7 | 0 | 0 | 0 | 114.7 | | |
| 558 | E | 52 | Low | 52.4 | Low | 186 Ų | 186 | 145.7 Ų | 145.7 | 87% | 0.869 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 0.8 | 171.8 | -95.1 | -164.1 | 170.2 | 0 | 0 | 114.8 | | |
| 559 | E | 52 | Low | 53.2 | Low | 183 Ų | 183 | 143.5 Ų | 143.5 | 86% | 0.855 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -110.7 | -0.3 | -176.5 | -150.3 | 160 | -153.3 | 0 | 0 | 115.6 | F561 | E559-F561 VanDerWaalsContact C-N 3.3Š|
| 560 | D | 49 | Very low | 54.3 | Low | 138 Ų | 138 | 141 Ų | 141 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | | | trans | -95.9 | 31.9 | 167 | -81.4 | -15 | 0 | 0 | 0 | 112.3 | I562 | D560-I562 PolarHBondContact O-N 3.48Š|
| 561 | F | 48.2 | Very low | 55.7 | Low | 182 Ų | 182 | 137.4 Ų | 137.4 | 80% | 0.798 | 72% | 0.715 | S | S | * | * | | | trans | -69.8 | 68.2 | 156.2 | -146.8 | -86.1 | 0 | 0 | 0 | 107.1 | E559 D563 | E559-F561 VanDerWaalsContact C-N 3.3Å; F561-D563 PolarHBondContact O-N 2.87Å |
| 562 | I | 51.8 | Low | 57.1 | Low | 123 Ų | 123 | 139.7 Ų | 139.7 | 63% | 0.631 | 71% | 0.71 | S | S | * | * | | | trans | -43.8 | 112.9 | 172.2 | -65.2 | 169 | 0 | 0 | 0 | 104.8 | D560 A564 | D560-I562 PolarHBondContact O-N 3.48Å; I562-A564 VanDerWaalsContact C-N 3.34Å; I562-A564 PolarHBondContact O-N 2.76Å |
| 563 | D | 50.4 | Low | 58.9 | Low | 105 Ų | 105 | 135.1 Ų | 135.1 | 56% | 0.561 | 70% | 0.697 | S | S | * | * | | | trans | -39.1 | 101.8 | 179.9 | -99.4 | -42.9 | 0 | 0 | 0 | 108 | F561 S565 S566 | F561-D563 PolarHBondContact O-N 2.87Å; D563-S565 PolarHBondContact O-N 2.92Å; D563-S565 PolarHBondContact OD1-OG 3.45Å; D563-S566 WeakPolarHBondContact CB-OG 3.42Å; D563-S566 WeakPolarHBondContact O-CA 3.22Å; D563-S566 WeakPolarHBondContact O-CB 3.4Å; D563-S566 PolarHBondContact O-N 3.15Å; D563-S566 PolarHBondContact O-OG 3.5Å |
| 564 | A | 55.8 | Low | 60.9 | Low | 75 Ų | 75 | 133.2 Ų | 133.2 | 62% | 0.62 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 0.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | I562 | I562-A564 VanDerWaalsContact C-N 3.34Å; I562-A564 PolarHBondContact O-N 2.76Å |
| 565 | S | 55.2 | Low | 63.1 | Low | 102 Ų | 102 | 132.4 Ų | 132.4 | 71% | 0.713 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -10.4 | 169.6 | 69.8 | 0 | 0 | 0 | 0 | 114 | D563 | D563-S565 PolarHBondContact O-N 2.92Å; D563-S565 PolarHBondContact OD1-OG 3.45Å |
| 566 | S | 54.7 | Low | 65 | Low | 77 Ų | 77 | 131.3 Ų | 131.3 | 54% | 0.538 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.5 | -13.1 | -177.8 | 75.2 | 0 | 0 | 0 | 0 | 114.1 | D563 N568 | D563-S566 WeakPolarHBondContact CB-OG 3.42Å; D563-S566 WeakPolarHBondContact O-CA 3.22Å; D563-S566 WeakPolarHBondContact O-CB 3.4Å; D563-S566 PolarHBondContact O-N 3.15Å; D563-S566 PolarHBondContact O-OG 3.5Å; S566-N568 PolarHBondContact O-N 3.33Å |
| 567 | E | 58 | Low | 67 | Low | 144 Ų | 144 | 126.9 Ų | 126.9 | 67% | 0.673 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -65.2 | 120 | 166.1 | -105.8 | -175.7 | 167.9 | 0 | 0 | 108.7 | L569 | E567-L569 PolarHBondContact O-N 3.43Š|
| 568 | N | 61.5 | Low | 68.8 | Low | 166 Ų | 166 | 119.5 Ų | 119.5 | 89% | 0.888 | 62% | 0.624 | S | S | * | * | | | trans | -66.6 | 69.4 | -177.2 | -155.4 | 21.5 | 0 | 0 | 0 | 110 | S566 K570 | S566-N568 PolarHBondContact O-N 3.33Å; N568-K570 PolarHBondContact O-N 3.41Å |
| 569 | L | 68.9 | Low | 70.8 | Confident | 140 Ų | 140 | 115.5 Ų | 115.5 | 73% | 0.733 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 121.9 | 176.4 | -77 | 161.9 | 0 | 0 | 0 | 107.4 | E567 T571 | E567-L569 PolarHBondContact O-N 3.43Å; L569-T571 PolarHBondContact O-N 2.94Å; L569-T571 VanDerWaalsContact O-N 3.17Å |
| 570 | K | 79 | Confident | 72.8 | Confident | 114 Ų | 114 | 108.8 Ų | 108.8 | 50% | 0.496 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -47.3 | 126.2 | 177.2 | -68.5 | 173.3 | -179.4 | 170.1 | 0 | 108.5 | N568 E574 E578 | N568-K570 PolarHBondContact O-N 3.41Å; K570-E574 HydrophobicContact CB-CB 4.27Å; K570-E578 WeakPolarHBondContact CD-OE2 3.32Å; K570-E578 WeakPolarHBondContact CE-OE2 3.37Å; K570-E578 IonicContact NZ-OE1 2.68Å; K570-E578 PolarHBondContact NZ-OE1 3.15Å; K570-E578 IonicContact NZ-OE2 2.94Å; K570-E578 PolarHBondContact NZ-OE2 3.22Å |
| 571 | T | 81.9 | Confident | 75 | Confident | 94 Ų | 94 | 109.5 Ų | 109.5 | 58% | 0.577 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 148.3 | -178.6 | -59.8 | 0 | 0 | 0 | 0 | 108.7 | L569 G573 E574 L575 | L569-T571 PolarHBondContact O-N 2.94Å; L569-T571 VanDerWaalsContact O-N 3.17Å; T571-G573 PolarHBondContact O-N 3.08Å; T571-E574 PolarHBondContact N-OE2 3.44Å; T571-E574 WeakPolarHBondContact O-CA 3.4Å; T571-E574 WeakPolarHBondContact O-CB 3.44Å; T571-E574 PolarHBondContact O-N 3.33Å; T571-L575 PolarHBondContact O-N 3.48Å |
| 572 | Y | 84.1 | Confident | 77.1 | Confident | 185 Ų | 185 | 105 Ų | 105 | 73% | 0.725 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -47.5 | -36.5 | -179.8 | -179.9 | -100.4 | 0 | 0 | 0 | 113.6 | R576 | Y572-R576 WeakPolarHBondContact O-CB 3.2Å; Y572-R576 PolarHBondContact O-N 3.31Å |
| 573 | G | 88.6 | Confident | 79.2 | Confident | 46 Ų | 46 | 104.5 Ų | 104.5 | 47% | 0.474 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.2 | -36.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T571 A577 | T571-G573 PolarHBondContact O-N 3.08Å; G573-A577 PolarHBondContact O-N 2.89Å |
| 574 | E | 88.8 | Confident | 81.3 | Confident | 116 Ų | 116 | 103.8 Ų | 103.8 | 54% | 0.542 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -71.5 | -40.1 | 174.8 | -64.9 | 178.5 | 159.4 | 0 | 0 | 111.2 | K570 T571 R576 A577 E578 | K570-E574 HydrophobicContact CB-CB 4.27Å; T571-E574 PolarHBondContact N-OE2 3.44Å; T571-E574 WeakPolarHBondContact O-CA 3.4Å; T571-E574 WeakPolarHBondContact O-CB 3.44Å; T571-E574 PolarHBondContact O-N 3.33Å; E574-R576 VanDerWaalsContact C-N 3.34Å; E574-R576 PolarHBondContact O-N 2.89Å; E574-A577 PolarHBondContact O-N 3.04Å; E574-E578 WeakPolarHBondContact O-CB 3.44Å; E574-E578 PolarHBondContact O-N 3.2Å |
| 575 | L | 90.1 | Very high | 83.2 | Confident | 79 Ų | 79 | 106.3 Ų | 106.3 | 41% | 0.414 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.6 | -43.3 | 173.9 | -171.6 | 68.4 | 0 | 0 | 0 | 110.7 | T571 A577 E578 I579 | T571-L575 PolarHBondContact O-N 3.48Å; L575-A577 VanDerWaalsContact C-N 3.33Å; L575-A577 PolarHBondContact O-N 3.47Å; L575-E578 PolarHBondContact O-N 3.21Å; L575-I579 HydrophobicContact CG-CD1 4.04Å; L575-I579 WeakPolarHBondContact O-CB 3.4Å; L575-I579 VanDerWaalsContact O-CG1 3.24Å; L575-I579 WeakPolarHBondContact O-CG1 3.49Å; L575-I579 PolarHBondContact O-N 3.11Å |
| 576 | R | 90.6 | Very high | 85.1 | Confident | 132 Ų | 132 | 106.2 Ų | 106.2 | 50% | 0.498 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 174.2 | -169.9 | 179.1 | -173.6 | -123.8 | 1.4 | 112.2 | Y572 E574 G580 | Y572-R576 WeakPolarHBondContact O-CB 3.2Å; Y572-R576 PolarHBondContact O-N 3.31Å; E574-R576 VanDerWaalsContact C-N 3.34Å; E574-R576 PolarHBondContact O-N 2.89Å; R576-G580 PolarHBondContact O-N 3.22Å |
| 577 | A | 91.3 | Very high | 87 | Confident | 54 Ų | 54 | 106.2 Ų | 106.2 | 45% | 0.446 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.5 | -37.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G573 E574 L575 G580 K581 | G573-A577 PolarHBondContact O-N 2.89Å; E574-A577 PolarHBondContact O-N 3.04Å; L575-A577 VanDerWaalsContact C-N 3.33Å; L575-A577 PolarHBondContact O-N 3.47Å; A577-G580 PolarHBondContact O-N 3.07Å; A577-K581 VanDerWaalsContact O-CG 3.3Å; A577-K581 WeakPolarHBondContact O-CG 3.24Å; A577-K581 PolarHBondContact O-N 2.79Å |
| 578 | E | 92.3 | Very high | 88.8 | Confident | 69 Ų | 69 | 104.1 Ų | 104.1 | 32% | 0.322 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.9 | -42.8 | 175.5 | -172.9 | 170.6 | -156.6 | 0 | 0 | 112 | K570 E574 L575 G580 K581 I582 | K570-E578 WeakPolarHBondContact CD-OE2 3.32Å; K570-E578 WeakPolarHBondContact CE-OE2 3.37Å; K570-E578 IonicContact NZ-OE1 2.68Å; K570-E578 PolarHBondContact NZ-OE1 3.15Å; K570-E578 IonicContact NZ-OE2 2.94Å; K570-E578 PolarHBondContact NZ-OE2 3.22Å; E574-E578 WeakPolarHBondContact O-CB 3.44Å; E574-E578 PolarHBondContact O-N 3.2Å; L575-E578 PolarHBondContact O-N 3.21Å; E578-G580 VanDerWaalsContact C-N 3.32Å; E578-G580 PolarHBondContact O-N 3.02Å; E578-K581 WeakPolarHBondContact O-CB 3.41Å; E578-K581 PolarHBondContact O-N 2.86Å; E578-K581 VanDerWaalsContact O-N 3.15Å; E578-I582 HydrophobicContact CG-CD1 4.24Å; E578-I582 WeakPolarHBondContact O-CG1 3.48Å; E578-I582 PolarHBondContact O-N 2.92Å |
| 579 | I | 93.7 | Very high | 90.5 | Very high | 102 Ų | 102 | 101.3 Ų | 101.3 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 172.3 | -67.7 | 164.7 | 0 | 0 | 0 | 110.3 | L575 K581 I582 H583 | L575-I579 HydrophobicContact CG-CD1 4.04Å; L575-I579 WeakPolarHBondContact O-CB 3.4Å; L575-I579 VanDerWaalsContact O-CG1 3.24Å; L575-I579 WeakPolarHBondContact O-CG1 3.49Å; L575-I579 PolarHBondContact O-N 3.11Å; I579-K581 VanDerWaalsContact C-N 3.32Å; I579-K581 PolarHBondContact O-N 3.25Å; I579-I582 PolarHBondContact O-N 3.09Å; I579-H583 WeakPolarHBondContact O-CB 3.38Å; I579-H583 PolarHBondContact O-N 2.89Å |
| 580 | G | 94.3 | Very high | 91.9 | Very high | 41 Ų | 41 | 100.3 Ų | 100.3 | 42% | 0.423 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -38.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R576 A577 E578 N584 | R576-G580 PolarHBondContact O-N 3.22Å; A577-G580 PolarHBondContact O-N 3.07Å; E578-G580 VanDerWaalsContact C-N 3.32Å; E578-G580 PolarHBondContact O-N 3.02Å; G580-N584 WeakPolarHBondContact O-CB 3.33Å; G580-N584 PolarHBondContact O-N 3.25Å |
| 581 | K | 95 | Very high | 92.7 | Very high | 154 Ų | 154 | 99.9 Ų | 99.9 | 67% | 0.67 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.1 | -42 | 174 | -74.3 | 171.4 | -176.2 | 178.1 | 0 | 112.1 | A577 E578 I579 K585 | A577-K581 VanDerWaalsContact O-CG 3.3Å; A577-K581 WeakPolarHBondContact O-CG 3.24Å; A577-K581 PolarHBondContact O-N 2.79Å; E578-K581 WeakPolarHBondContact O-CB 3.41Å; E578-K581 PolarHBondContact O-N 2.86Å; E578-K581 VanDerWaalsContact O-N 3.15Å; I579-K581 VanDerWaalsContact C-N 3.32Å; I579-K581 PolarHBondContact O-N 3.25Å; K581-K585 VanDerWaalsContact O-CB 3.28Å; K581-K585 WeakPolarHBondContact O-CB 3.29Å; K581-K585 PolarHBondContact O-N 3.37Å |
| 582 | I | 93.2 | Very high | 93.4 | Very high | 88 Ų | 88 | 97.6 Ų | 97.6 | 45% | 0.451 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 177.8 | -67.6 | 165.5 | 0 | 0 | 0 | 110.3 | E578 I579 K585 Q586 | E578-I582 HydrophobicContact CG-CD1 4.24Å; E578-I582 WeakPolarHBondContact O-CG1 3.48Å; E578-I582 PolarHBondContact O-N 2.92Å; I579-I582 PolarHBondContact O-N 3.09Å; I582-K585 WeakPolarHBondContact O-CB 3.43Å; I582-K585 PolarHBondContact O-N 3.18Å; I582-Q586 WeakPolarHBondContact O-CG 3.47Å; I582-Q586 PolarHBondContact O-N 2.89Å |
| 583 | H | 95.6 | Very high | 94 | Very high | 111 Ų | 111 | 96.2 Ų | 96.2 | 51% | 0.514 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 177.5 | -175.1 | 91.1 | 0 | 0 | 0 | 112.2 | I579 K585 Q586 L587 | I579-H583 WeakPolarHBondContact O-CB 3.38Å; I579-H583 PolarHBondContact O-N 2.89Å; H583-K585 VanDerWaalsContact C-N 3.32Å; H583-K585 PolarHBondContact O-N 2.92Å; H583-Q586 WeakPolarHBondContact O-CB 3.42Å; H583-Q586 PolarHBondContact O-N 3.15Å; H583-L587 PolarHBondContact O-N 3.07Å |
| 584 | N | 93.8 | Very high | 94.3 | Very high | 90 Ų | 90 | 98.4 Ų | 98.4 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 176.3 | -171.6 | 26.8 | 0 | 0 | 0 | 111.9 | G580 Q586 L587 I588 | G580-N584 WeakPolarHBondContact O-CB 3.33Å; G580-N584 PolarHBondContact O-N 3.25Å; N584-Q586 VanDerWaalsContact C-N 3.32Å; N584-Q586 PolarHBondContact O-N 3.44Å; N584-L587 PolarHBondContact O-N 2.84Å; N584-I588 WeakPolarHBondContact O-CG1 3.37Å; N584-I588 PolarHBondContact O-N 2.98Å |
| 585 | K | 96.3 | Very high | 94.6 | Very high | 128 Ų | 128 | 97.2 Ų | 97.2 | 56% | 0.557 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.5 | -42.5 | 174 | 179.6 | -179 | 167.8 | -175.4 | 0 | 111.5 | K581 I582 H583 I588 E589 | K581-K585 VanDerWaalsContact O-CB 3.28Å; K581-K585 WeakPolarHBondContact O-CB 3.29Å; K581-K585 PolarHBondContact O-N 3.37Å; I582-K585 WeakPolarHBondContact O-CB 3.43Å; I582-K585 PolarHBondContact O-N 3.18Å; H583-K585 VanDerWaalsContact C-N 3.32Å; H583-K585 PolarHBondContact O-N 2.92Å; K585-I588 PolarHBondContact O-N 2.73Å; K585-E589 WeakPolarHBondContact CE-OE1 3.33Å; K585-E589 IonicContact NZ-OE1 2.83Å; K585-E589 WeakPolarHBondContact O-CB 3.47Å; K585-E589 WeakPolarHBondContact O-CG 3.42Å; K585-E589 PolarHBondContact O-N 3.34Å |
| 586 | Q | 95.6 | Very high | 94.7 | Very high | 101 Ų | 101 | 97.9 Ų | 97.9 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 176.8 | -74.7 | 174.6 | -20.3 | 0 | 0 | 112.1 | I582 H583 N584 I588 E589 E590 | I582-Q586 WeakPolarHBondContact O-CG 3.47Å; I582-Q586 PolarHBondContact O-N 2.89Å; H583-Q586 WeakPolarHBondContact O-CB 3.42Å; H583-Q586 PolarHBondContact O-N 3.15Å; N584-Q586 VanDerWaalsContact C-N 3.32Å; N584-Q586 PolarHBondContact O-N 3.44Å; Q586-I588 PolarHBondContact O-N 3.01Å; Q586-E589 PolarHBondContact O-N 3.11Å; Q586-E590 WeakPolarHBondContact O-CG 3.21Å; Q586-E590 PolarHBondContact O-N 3.15Å |
| 587 | L | 95.1 | Very high | 94.9 | Very high | 76 Ų | 76 | 94.9 Ų | 94.9 | 40% | 0.398 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.9 | -45.7 | 175.6 | -74.6 | 171.8 | 0 | 0 | 0 | 112.1 | H583 N584 E589 E590 D591 | H583-L587 PolarHBondContact O-N 3.07Å; N584-L587 PolarHBondContact O-N 2.84Å; L587-E589 VanDerWaalsContact C-N 3.33Å; L587-E589 PolarHBondContact O-N 3.43Å; L587-E590 PolarHBondContact O-N 3.43Å; L587-D591 PolarHBondContact O-N 3.42Å |
| 588 | I | 96.1 | Very high | 95 | Very high | 100 Ų | 100 | 97.8 Ų | 97.8 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64 | -38.8 | 177.7 | -65.8 | 166.7 | 0 | 0 | 0 | 111.5 | N584 K585 Q586 A592 | N584-I588 WeakPolarHBondContact O-CG1 3.37Å; N584-I588 PolarHBondContact O-N 2.98Å; K585-I588 PolarHBondContact O-N 2.73Å; Q586-I588 PolarHBondContact O-N 3.01Å; I588-A592 VanDerWaalsContact O-CB 3.29Å; I588-A592 WeakPolarHBondContact O-CB 3.43Å; I588-A592 PolarHBondContact O-N 3.44Å |
| 589 | E | 97.2 | Very high | 95.1 | Very high | 108 Ų | 108 | 100 Ų | 100 | 51% | 0.505 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.6 | -38.6 | 176.7 | -76 | 176.6 | -179.1 | 0 | 0 | 112.1 | K585 Q586 L587 K593 | K585-E589 WeakPolarHBondContact CE-OE1 3.33Å; K585-E589 IonicContact NZ-OE1 2.83Å; K585-E589 WeakPolarHBondContact O-CB 3.47Å; K585-E589 WeakPolarHBondContact O-CG 3.42Å; K585-E589 PolarHBondContact O-N 3.34Å; Q586-E589 PolarHBondContact O-N 3.11Å; L587-E589 VanDerWaalsContact C-N 3.33Å; L587-E589 PolarHBondContact O-N 3.43Å; E589-K593 WeakPolarHBondContact O-CB 3.34Å; E589-K593 PolarHBondContact O-N 3.3Å |
| 590 | E | 97 | Very high | 94.9 | Very high | 119 Ų | 119 | 100.3 Ų | 100.3 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.2 | -46.4 | 174.3 | -74.7 | 177.9 | -178.5 | 0 | 0 | 111.6 | Q586 L587 A592 K593 M594 | Q586-E590 WeakPolarHBondContact O-CG 3.21Å; Q586-E590 PolarHBondContact O-N 3.15Å; L587-E590 PolarHBondContact O-N 3.43Å; E590-A592 PolarHBondContact O-N 3.45Å; E590-K593 WeakPolarHBondContact O-CB 3.33Å; E590-K593 PolarHBondContact O-N 3.35Å; E590-M594 WeakPolarHBondContact O-CG 3.29Å; E590-M594 PolarHBondContact O-N 2.79Å |
| 591 | D | 97.1 | Very high | 94.6 | Very high | 104 Ų | 104 | 104 Ų | 104 | 56% | 0.556 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.5 | -45.5 | 174.4 | -77.8 | -13.6 | 0 | 0 | 0 | 111.6 | L587 K593 M594 I595 | L587-D591 PolarHBondContact O-N 3.42Å; D591-K593 VanDerWaalsContact C-N 3.3Å; D591-K593 PolarHBondContact O-N 2.88Å; D591-M594 PolarHBondContact O-N 2.8Å; D591-I595 WeakPolarHBondContact O-CB 3.46Å; D591-I595 VanDerWaalsContact O-CG1 3.3Å; D591-I595 WeakPolarHBondContact O-CG1 3.45Å; D591-I595 PolarHBondContact O-N 2.96Å |
| 592 | A | 96 | Very high | 94.1 | Very high | 46 Ų | 46 | 101.9 Ų | 101.9 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | I588 E590 N596 | I588-A592 VanDerWaalsContact O-CB 3.29Å; I588-A592 WeakPolarHBondContact O-CB 3.43Å; I588-A592 PolarHBondContact O-N 3.44Å; E590-A592 PolarHBondContact O-N 3.45Å; A592-N596 WeakPolarHBondContact O-CB 3.24Å; A592-N596 PolarHBondContact O-N 2.91Å; A592-N596 PolarHBondContact O-ND2 2.86Å |
| 593 | K | 96.1 | Very high | 93.7 | Very high | 156 Ų | 156 | 103.2 Ų | 103.2 | 68% | 0.678 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.7 | -42.6 | 174.9 | -175.3 | -176.9 | 176.8 | -171.6 | 0 | 111.4 | E589 E590 D591 N596 L597 | E589-K593 WeakPolarHBondContact O-CB 3.34Å; E589-K593 PolarHBondContact O-N 3.3Å; E590-K593 WeakPolarHBondContact O-CB 3.33Å; E590-K593 PolarHBondContact O-N 3.35Å; D591-K593 VanDerWaalsContact C-N 3.3Å; D591-K593 PolarHBondContact O-N 2.88Å; K593-N596 PolarHBondContact O-N 3.22Å; K593-L597 PolarHBondContact O-N 2.87Å |
| 594 | M | 95.2 | Very high | 92.9 | Very high | 92 Ų | 92 | 102.4 Ų | 102.4 | 45% | 0.453 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 176.8 | -72.7 | -58.9 | -68.9 | 0 | 0 | 111.8 | E590 D591 N596 L597 F598 | E590-M594 WeakPolarHBondContact O-CG 3.29Å; E590-M594 PolarHBondContact O-N 2.79Å; D591-M594 PolarHBondContact O-N 2.8Å; M594-N596 VanDerWaalsContact C-N 3.29Å; M594-N596 PolarHBondContact O-N 3.25Å; M594-L597 WeakPolarHBondContact O-CB 3.29Å; M594-L597 PolarHBondContact O-N 3.23Å; M594-L597 HydrophobicContact SD-CD2 4.47Å; M594-F598 HydrophobicContact CE-CE2 3.96Å; M594-F598 HydrophobicContact CE-CZ 4.24Å; M594-F598 WeakPolarHBondContact O-CD2 3.47Å; M594-F598 PolarHBondContact O-N 3.48Å |
| 595 | I | 95.2 | Very high | 91.9 | Very high | 91 Ų | 91 | 100.7 Ų | 100.7 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.2 | -42.8 | 174.4 | -70.4 | 167.1 | 0 | 0 | 0 | 110.7 | D591 F598 K599 | D591-I595 WeakPolarHBondContact O-CB 3.46Å; D591-I595 VanDerWaalsContact O-CG1 3.3Å; D591-I595 WeakPolarHBondContact O-CG1 3.45Å; D591-I595 PolarHBondContact O-N 2.96Å; I595-F598 PolarHBondContact O-N 3.36Å; I595-K599 HydrophobicContact CG2-CD 4.19Å; I595-K599 VanDerWaalsContact O-CG 3.31Å; I595-K599 WeakPolarHBondContact O-CG 3.29Å; I595-K599 PolarHBondContact O-N 3.37Å |
| 596 | N | 93.3 | Very high | 90.2 | Very high | 94 Ų | 94 | 99.5 Ų | 99.5 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.7 | -39.6 | 177.5 | -76.4 | -18.5 | 0 | 0 | 0 | 112.4 | A592 K593 M594 F598 K599 E600 | A592-N596 WeakPolarHBondContact O-CB 3.24Å; A592-N596 PolarHBondContact O-N 2.91Å; A592-N596 PolarHBondContact O-ND2 2.86Å; K593-N596 PolarHBondContact O-N 3.22Å; M594-N596 VanDerWaalsContact C-N 3.29Å; M594-N596 PolarHBondContact O-N 3.25Å; N596-F598 VanDerWaalsContact C-N 3.34Å; N596-F598 PolarHBondContact O-N 2.9Å; N596-K599 WeakPolarHBondContact O-CB 3.45Å; N596-K599 PolarHBondContact O-N 3.31Å; N596-E600 PolarHBondContact O-N 3.43Å |
| 597 | L | 94.5 | Very high | 88.5 | Confident | 69 Ų | 69 | 102.7 Ų | 102.7 | 36% | 0.361 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 173.5 | -175.6 | 69.4 | 0 | 0 | 0 | 111.7 | K593 M594 E600 K601 | K593-L597 PolarHBondContact O-N 2.87Å; M594-L597 WeakPolarHBondContact O-CB 3.29Å; M594-L597 PolarHBondContact O-N 3.23Å; M594-L597 HydrophobicContact SD-CD2 4.47Å; L597-E600 PolarHBondContact O-N 2.93Å; L597-K601 WeakPolarHBondContact O-CB 2.83Å; L597-K601 WeakPolarHBondContact O-CG 3.31Å; L597-K601 PolarHBondContact O-N 3.21Å |
| 598 | F | 93.3 | Very high | 86.7 | Confident | 114 Ų | 114 | 105 Ų | 105 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66 | -37.5 | 174.8 | -75 | -61.3 | 0 | 0 | 0 | 112.3 | M594 I595 N596 L602 | M594-F598 HydrophobicContact CE-CE2 3.96Å; M594-F598 HydrophobicContact CE-CZ 4.24Å; M594-F598 WeakPolarHBondContact O-CD2 3.47Å; M594-F598 PolarHBondContact O-N 3.48Å; I595-F598 PolarHBondContact O-N 3.36Å; N596-F598 VanDerWaalsContact C-N 3.34Å; N596-F598 PolarHBondContact O-N 2.9Å; F598-L602 VanDerWaalsContact O-CB 3.29Å; F598-L602 WeakPolarHBondContact O-CB 3.08Å; F598-L602 VanDerWaalsContact O-CG 3.24Å; F598-L602 WeakPolarHBondContact O-CG 3.36Å; F598-L602 PolarHBondContact O-N 3.39Å |
| 599 | K | 92.9 | Very high | 84.8 | Confident | 115 Ų | 115 | 106.9 Ų | 106.9 | 50% | 0.5 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 172.7 | -73.1 | 170.5 | -177.1 | 170.5 | 0 | 111.6 | I595 N596 L602 L603 | I595-K599 HydrophobicContact CG2-CD 4.19Å; I595-K599 VanDerWaalsContact O-CG 3.31Å; I595-K599 WeakPolarHBondContact O-CG 3.29Å; I595-K599 PolarHBondContact O-N 3.37Å; N596-K599 WeakPolarHBondContact O-CB 3.45Å; N596-K599 PolarHBondContact O-N 3.31Å; K599-L602 PolarHBondContact O-N 3.02Å; K599-L603 VanDerWaalsContact O-CG 3.29Å; K599-L603 WeakPolarHBondContact O-CG 3.34Å; K599-L603 PolarHBondContact O-N 2.95Å |
| 600 | E | 90.2 | Very high | 82.8 | Confident | 110 Ų | 110 | 108.6 Ų | 108.6 | 51% | 0.514 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 175.8 | -172.2 | 176.8 | -171.4 | 0 | 0 | 110.7 | N596 L597 L602 L603 D604 | N596-E600 PolarHBondContact O-N 3.43Å; L597-E600 PolarHBondContact O-N 2.93Å; E600-L602 VanDerWaalsContact C-N 3.28Å; E600-L602 PolarHBondContact O-N 2.86Å; E600-L603 CarbonylContact O-C 3.59Å; E600-L603 WeakPolarHBondContact O-CA 3.3Å; E600-L603 WeakPolarHBondContact O-CB 3.48Å; E600-L603 PolarHBondContact O-N 3.45Å; E600-D604 PolarHBondContact O-N 2.95Å |
| 601 | K | 88.6 | Confident | 81 | Confident | 119 Ų | 119 | 106 Ų | 106 | 52% | 0.517 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59 | -35.4 | 174 | -72.6 | 180 | 177.3 | -177.5 | 0 | 113.4 | L597 S605 | L597-K601 WeakPolarHBondContact O-CB 2.83Å; L597-K601 WeakPolarHBondContact O-CG 3.31Å; L597-K601 PolarHBondContact O-N 3.21Å; K601-S605 WeakPolarHBondContact O-CB 3.41Å; K601-S605 PolarHBondContact O-N 2.92Å; K601-S605 PolarHBondContact O-OG 2.85Å |
| 602 | L | 85 | Confident | 78.9 | Confident | 109 Ų | 109 | 106.4 Ų | 106.4 | 57% | 0.571 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.2 | -32.3 | 174.6 | -80 | 166.6 | 0 | 0 | 0 | 112.1 | F598 K599 E600 S605 R606 | F598-L602 VanDerWaalsContact O-CB 3.29Å; F598-L602 WeakPolarHBondContact O-CB 3.08Å; F598-L602 VanDerWaalsContact O-CG 3.24Å; F598-L602 WeakPolarHBondContact O-CG 3.36Å; F598-L602 PolarHBondContact O-N 3.39Å; K599-L602 PolarHBondContact O-N 3.02Å; E600-L602 VanDerWaalsContact C-N 3.28Å; E600-L602 PolarHBondContact O-N 2.86Å; L602-S605 WeakPolarHBondContact CA-OG 3.4Å; L602-S605 PolarHBondContact O-OG 3.18Å; L602-R606 WeakPolarHBondContact O-CB 3.48Å; L602-R606 PolarHBondContact O-N 2.88Å |
| 603 | L | 83.4 | Confident | 77.2 | Confident | 115 Ų | 115 | 113.9 Ų | 113.9 | 60% | 0.602 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -73.4 | -44.6 | 173 | -68.5 | 170.8 | 0 | 0 | 0 | 111.1 | K599 E600 R606 | K599-L603 VanDerWaalsContact O-CG 3.29Å; K599-L603 WeakPolarHBondContact O-CG 3.34Å; K599-L603 PolarHBondContact O-N 2.95Å; E600-L603 CarbonylContact O-C 3.59Å; E600-L603 WeakPolarHBondContact O-CA 3.3Å; E600-L603 WeakPolarHBondContact O-CB 3.48Å; E600-L603 PolarHBondContact O-N 3.45Å; L603-R606 VanDerWaalsContact O-CB 3.29Å; L603-R606 WeakPolarHBondContact O-CB 3.41Å; L603-R606 PolarHBondContact O-N 3.29Å; L603-R606 VanDerWaalsContact O-N 3.09Å |
| 604 | D | 79.8 | Confident | 75.4 | Confident | 94 Ų | 94 | 115 Ų | 115 | 50% | 0.503 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.6 | -44 | 176.4 | -65.7 | -10.9 | 0 | 0 | 0 | 111.2 | E600 R606 E607 | E600-D604 PolarHBondContact O-N 2.95Å; D604-R606 PolarHBondContact O-N 3.19Å; D604-E607 WeakPolarHBondContact O-CB 3.34Å; D604-E607 PolarHBondContact O-N 3.43Å; D604-E607 VanDerWaalsContact O-N 3.11Å |
| 605 | S | 72 | Confident | 74.1 | Confident | 54 Ų | 54 | 120.8 Ų | 120.8 | 38% | 0.378 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | -68.8 | -17.5 | 175.3 | 67.8 | 0 | 0 | 0 | 0 | 113.3 | K601 L602 E607 | K601-S605 WeakPolarHBondContact O-CB 3.41Å; K601-S605 PolarHBondContact O-N 2.92Å; K601-S605 PolarHBondContact O-OG 2.85Å; L602-S605 WeakPolarHBondContact CA-OG 3.4Å; L602-S605 PolarHBondContact O-OG 3.18Å; S605-E607 VanDerWaalsContact C-N 3.26Å |
| 606 | R | 60.7 | Low | 72.7 | Confident | 103 Ų | 103 | 128.2 Ų | 128.2 | 39% | 0.389 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -76.2 | -16.3 | 174.1 | -165.7 | 175 | -178.6 | -167.3 | 0.1 | 112 | L602 L603 D604 V608 R609 L612 R613 | L602-R606 WeakPolarHBondContact O-CB 3.48Å; L602-R606 PolarHBondContact O-N 2.88Å; L603-R606 VanDerWaalsContact O-CB 3.29Å; L603-R606 WeakPolarHBondContact O-CB 3.41Å; L603-R606 PolarHBondContact O-N 3.29Å; L603-R606 VanDerWaalsContact O-N 3.09Å; D604-R606 PolarHBondContact O-N 3.19Å; R606-V608 PolarHBondContact O-N 2.99Å; R606-V608 VanDerWaalsContact O-N 3.15Å; R606-R609 PolarHBondContact O-N 3.43Å; R606-L612 PolarHBondContact NH2-O 2.95Å; R606-R613 PolarHBondContact NH2-O 3.43Å |
| 607 | E | 59.2 | Low | 71.1 | Confident | 169 Ų | 169 | 130.4 Ų | 130.4 | 79% | 0.79 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -66.5 | -14.7 | 176.4 | -154.7 | 149.2 | -147.7 | 0 | 0 | 112.7 | D604 S605 | D604-E607 WeakPolarHBondContact O-CB 3.34Å; D604-E607 PolarHBondContact O-N 3.43Å; D604-E607 VanDerWaalsContact O-N 3.11Å; S605-E607 VanDerWaalsContact C-N 3.26Å |
| 608 | V | 58.1 | Low | 69.6 | Low | 124 Ų | 124 | 130.1 Ų | 130.1 | 75% | 0.752 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -95.9 | -10.7 | 172.8 | -171.8 | 0 | 0 | 0 | 0 | 113.4 | R606 T610 | R606-V608 PolarHBondContact O-N 2.99Å; R606-V608 VanDerWaalsContact O-N 3.15Å; V608-T610 PolarHBondContact O-N 3.46Å |
| 609 | R | 56.3 | Low | 68.2 | Low | 139 Ų | 139 | 135.6 Ų | 135.6 | 53% | 0.525 | 65% | 0.653 | S | S | . | * | | | trans | -91.3 | 81 | 175.2 | -69.1 | -166.7 | -162.3 | 88.4 | -2.4 | 110.8 | R606 G611 | R606-R609 PolarHBondContact O-N 3.43Å; R609-G611 PolarHBondContact O-N 3.18Å |
| 610 | T | 56 | Low | 66.4 | Low | 145 Ų | 145 | 134.3 Ų | 134.3 | 89% | 0.89 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | 13.8 | 170.6 | 50.3 | 0 | 0 | 0 | 0 | 115.3 | V608 | V608-T610 PolarHBondContact O-N 3.46Š|
| 611 | G | 57.7 | Low | 64.5 | Low | 65 Ų | 65 | 135.5 Ų | 135.5 | 67% | 0.67 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.8 | 1.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | R609 | R609-G611 PolarHBondContact O-N 3.18Š|
| 612 | L | 54.3 | Low | 62.7 | Low | 112 Ų | 112 | 134.5 Ų | 134.5 | 59% | 0.586 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -117.3 | 104.3 | -179 | -88.9 | 86.8 | 0 | 0 | 0 | 113.2 | R606 | R606-L612 PolarHBondContact NH2-O 2.95Š|
| 613 | R | 59.4 | Low | 61.3 | Low | 202 Ų | 202 | 140.3 Ų | 140.3 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | | | trans | 40.3 | 78.8 | 165.1 | -76 | -177.4 | 166.2 | -163.5 | -7.8 | 114.8 | R606 R615 | R606-R613 PolarHBondContact NH2-O 3.43Å; R613-R615 PolarHBondContact O-N 2.68Å |
| 614 | H | 57.8 | Low | 59.5 | Low | 181 Ų | 181 | 138 Ų | 138 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | | | trans | -51.8 | 109.8 | 153.4 | -84.9 | 66.8 | 0 | 0 | 0 | 107.4 | R616 | H614-R616 PolarHBondContact O-N 2.83Š|
| 615 | R | 67.6 | Low | 57.8 | Low | 212 Ų | 212 | 142.4 Ų | 142.4 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | | | trans | -58.9 | 114.4 | 167.5 | -91.2 | -178.8 | 163.3 | 172.9 | -5.8 | 105.5 | R613 M617 | R613-R615 PolarHBondContact O-N 2.68Å; R615-M617 PolarHBondContact O-N 2.75Å |
| 616 | R | 65.7 | Low | 56.8 | Low | 248 Ų | 248 | 146.9 Ų | 146.9 | 94% | 0.936 | 75% | 0.749 | S | S | * | * | | | trans | -68 | 86.1 | 166.6 | -69.4 | -176 | 166.4 | -158.6 | -4 | 106.6 | H614 G618 | H614-R616 PolarHBondContact O-N 2.83Å; R616-G618 PolarHBondContact O-N 3.03Å |
| 617 | M | 60 | Low | 56.5 | Low | 139 Ų | 139 | 150.1 Ų | 150.1 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | | | trans | -63.8 | 103.4 | 166.1 | -75.7 | -86.1 | -160.5 | 0 | 0 | 106 | R615 W619 | R615-M617 PolarHBondContact O-N 2.75Å; M617-W619 PolarHBondContact O-N 3.38Å |
| 618 | G | 64.4 | Low | 56.3 | Low | 63 Ų | 63 | 152.9 Ų | 152.9 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 39.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | R616 | R616-G618 PolarHBondContact O-N 3.03Š|
| 619 | W | 62.1 | Low | 56.1 | Low | 229 Ų | 229 | 154.2 Ų | 154.2 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -4.8 | -176.3 | -69.4 | 59 | 0 | 0 | 0 | 112.7 | M617 | M617-W619 PolarHBondContact O-N 3.38Š|
| 620 | A | 56.6 | Low | 56 | Low | 88 Ų | 88 | 151.8 Ų | 151.8 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -98.2 | -2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | A622 | A620-A622 PolarHBondContact O-N 2.9Š|
| 621 | T | 50.1 | Low | 55.9 | Low | 135 Ų | 135 | 152.9 Ų | 152.9 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 33.6 | -174.3 | 42.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 622 | A | 51.5 | Low | 55.7 | Low | 98 Ų | 98 | 158 Ų | 158 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 6.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A620 | A620-A622 PolarHBondContact O-N 2.9Š|
| 623 | R | 54.7 | Low | 55.5 | Low | 232 Ų | 232 | 158.2 Ų | 158.2 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -128.7 | 101.2 | 172.5 | -72.1 | -169.3 | -174.9 | -144.4 | 1.7 | 110 | | |
| 624 | G | 44.9 | Very low | 54.9 | Low | 66 Ų | 66 | 157.3 Ų | 157.3 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 45.4 | 127.5 | 146.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 625 | E | 45.1 | Very low | 54.3 | Low | 186 Ų | 186 | 156.1 Ų | 156.1 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | | | trans | 71.2 | 81.9 | 164.9 | -59.5 | 166.8 | 154.8 | 0 | 0 | 111.9 | | |
| 626 | D | 50.2 | Low | 53.3 | Low | 149 Ų | 149 | 155.8 Ų | 155.8 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | | | | -162.1 | 92.7 | 89.9 | -79.5 | -34.6 | 0 | 0 | 0 | 110.4 | | |
| 627 | L | 55.9 | Low | 52.5 | Low | 171 Ų | 171 | 153.3 Ų | 153.3 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | | | trans | -96 | 24.4 | -179.6 | -154.3 | 79.7 | 0 | 0 | 0 | 113 | | |
| 628 | R | 54.4 | Low | 52 | Low | 227 Ų | 227 | 151.8 Ų | 151.8 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -124.9 | -15 | -176 | -66.3 | -159.8 | -179.3 | -151.1 | 1.2 | 117.4 | | |
| 629 | D | 53.3 | Low | 51.3 | Low | 151 Ų | 151 | 154.1 Ų | 154.1 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -111 | 3.9 | -178.5 | -68.8 | -24.3 | 0 | 0 | 0 | 114.5 | Q631 | D629-Q631 VanDerWaalsContact C-N 3.28Å; D629-Q631 PolarHBondContact O-N 3.2Å |
| 630 | A | 53.8 | Low | 50.8 | Low | 88 Ų | 88 | 146.4 Ų | 146.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 9.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 631 | Q | 53.4 | Low | 50.6 | Low | 168 Ų | 168 | 148.9 Ų | 148.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 15.9 | -173 | -70.8 | -171.9 | -13.7 | 0 | 0 | 115.3 | D629 | D629-Q631 VanDerWaalsContact C-N 3.28Å; D629-Q631 PolarHBondContact O-N 3.2Å |
| 632 | L | 54.2 | Low | 50.6 | Low | 174 Ų | 174 | 148.7 Ų | 148.7 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -133.4 | 20.3 | -177 | -70.4 | 175.9 | 0 | 0 | 0 | 115.9 | | |
| 633 | S | 50 | Low | 50.7 | Low | 116 Ų | 116 | 151.2 Ų | 151.2 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | trans | -120.8 | 52.7 | 166.9 | 68.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 634 | E | 46.4 | Very low | 50.6 | Low | 182 Ų | 182 | 144.8 Ų | 144.8 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | | | trans | -98.8 | 78.4 | 170 | -169.8 | 158.5 | -165.6 | 0 | 0 | 107.4 | | |
| 635 | D | 46.4 | Very low | 51.2 | Low | 157 Ų | 157 | 145.8 Ų | 145.8 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -168 | 119.3 | 162.1 | -112.6 | -22.5 | 0 | 0 | 0 | 109.7 | | |
| 636 | K | 46.5 | Very low | 52.3 | Low | 204 Ų | 204 | 143 Ų | 143 | 89% | 0.887 | 75% | 0.754 | S | S | * | * | | | trans | 87.5 | 54.9 | 177.9 | -47.7 | -162.2 | -179.2 | -174.2 | 0 | 117.4 | | |
| 637 | E | 48.6 | Very low | 53.4 | Low | 196 Ų | 196 | 140 Ų | 140 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | | | trans | -83.1 | 114.4 | 150.1 | -78.3 | 176.1 | 168.1 | 0 | 0 | 109 | | |
| 638 | D | 49.8 | Very low | 54.4 | Low | 107 Ų | 107 | 135.3 Ų | 135.3 | 57% | 0.572 | 72% | 0.72 | S | S | * | * | | | trans | -62.8 | 123.1 | 174.5 | -172 | 16.8 | 0 | 0 | 0 | 108.9 | S640 E641 | D638-S640 VanDerWaalsContact CG-OG 3.28Å; D638-S640 PolarHBondContact O-N 3.41Å; D638-S640 PolarHBondContact OD2-OG 3.23Å; D638-E641 PolarHBondContact O-N 2.68Å |
| 639 | P | 50 | Low | 55.7 | Low | 112 Ų | 112 | 127.2 Ų | 127.2 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 14.1 | -178.9 | 27.1 | -35 | 0 | 0 | 0 | 114.3 | | |
| 640 | S | 51 | Low | 57.1 | Low | 67 Ų | 67 | 129.4 Ų | 129.4 | 47% | 0.469 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.1 | -18.9 | 178.4 | 75.7 | 0 | 0 | 0 | 0 | 114.2 | D638 | D638-S640 VanDerWaalsContact CG-OG 3.28Å; D638-S640 PolarHBondContact O-N 3.41Å; D638-S640 PolarHBondContact OD2-OG 3.23Å |
| 641 | E | 51.9 | Low | 58.6 | Low | 140 Ų | 140 | 132.2 Ų | 132.2 | 65% | 0.654 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -89.1 | -2.3 | 180 | -71.2 | -165.8 | 170.1 | 0 | 0 | 114.4 | D638 | D638-E641 PolarHBondContact O-N 2.68Š|
| 642 | V | 50.4 | Low | 60.3 | Low | 132 Ų | 132 | 128.3 Ų | 128.3 | 80% | 0.8 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -86.8 | -6.3 | 176.3 | -178.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 643 | L | 52.9 | Low | 62 | Low | 150 Ų | 150 | 125.6 Ų | 125.6 | 79% | 0.785 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -94.7 | 3.8 | -179.6 | -86.2 | 162.5 | 0 | 0 | 0 | 114.8 | | |
| 644 | V | 54.2 | Low | 63.9 | Low | 98 Ų | 98 | 122.5 Ų | 122.5 | 59% | 0.594 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -91.2 | -13.2 | -167.3 | 174.7 | 0 | 0 | 0 | 0 | 115 | | |
| 645 | D | 56 | Low | 66.1 | Low | 86 Ų | 86 | 121.5 Ų | 121.5 | 46% | 0.46 | 62% | 0.623 | S | S | . | * | | | trans | -106.6 | 11.3 | -165.5 | -117.7 | 22.5 | 0 | 0 | 0 | 117.4 | L648 S649 | D645-L648 VanDerWaalsContact OD1-CB 3.24Å; D645-L648 WeakPolarHBondContact OD1-CB 3.49Å; D645-L648 WeakPolarHBondContact OD1-CD2 3.2Å; D645-S649 WeakPolarHBondContact O-CB 3.42Å; D645-S649 PolarHBondContact O-N 2.75Å; D645-S649 PolarHBondContact O-OG 2.87Å; D645-S649 VanDerWaalsContact O-OG 3.05Å |
| 646 | D | 68.5 | Low | 68.2 | Low | 127 Ų | 127 | 120.1 Ų | 120.1 | 68% | 0.679 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.8 | -36.5 | 170.6 | -84.8 | -0.7 | 0 | 0 | 0 | 111.6 | R650 | D646-R650 WeakPolarHBondContact O-CB 3.49Å; D646-R650 WeakPolarHBondContact O-CG 3.48Å; D646-R650 PolarHBondContact O-N 2.99Å |
| 647 | S | 73.7 | Confident | 70.3 | Confident | 88 Ų | 88 | 116.8 Ų | 116.8 | 62% | 0.615 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.3 | -42.3 | 179.7 | 72.1 | 0 | 0 | 0 | 0 | 112.3 | W651 | S647-W651 WeakPolarHBondContact O-CB 3.34Å; S647-W651 PolarHBondContact O-N 3.4Å |
| 648 | L | 77.5 | Confident | 72.5 | Confident | 72 Ų | 72 | 114.3 Ų | 114.3 | 38% | 0.377 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -71.1 | -41.7 | 176.8 | -172.4 | 64.6 | 0 | 0 | 0 | 111 | D645 W651 Q652 | D645-L648 VanDerWaalsContact OD1-CB 3.24Å; D645-L648 WeakPolarHBondContact OD1-CB 3.49Å; D645-L648 WeakPolarHBondContact OD1-CD2 3.2Å; L648-W651 PolarHBondContact O-N 3.14Å; L648-Q652 HydrophobicContact CG-CG 4.47Å; L648-Q652 WeakPolarHBondContact O-CB 3.36Å; L648-Q652 WeakPolarHBondContact O-CG 3.39Å; L648-Q652 PolarHBondContact O-N 3.07Å |
| 649 | S | 80.6 | Confident | 74.4 | Confident | 57 Ų | 57 | 112 Ų | 112 | 40% | 0.399 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.5 | -44.5 | 173 | -77.8 | 0 | 0 | 0 | 0 | 111.6 | D645 W651 Q652 M653 | D645-S649 WeakPolarHBondContact O-CB 3.42Å; D645-S649 PolarHBondContact O-N 2.75Å; D645-S649 PolarHBondContact O-OG 2.87Å; D645-S649 VanDerWaalsContact O-OG 3.05Å; S649-W651 VanDerWaalsContact C-N 3.33Å; S649-W651 PolarHBondContact O-N 2.9Å; S649-Q652 PolarHBondContact O-N 3.45Å; S649-M653 VanDerWaalsContact O-CB 3.3Å; S649-M653 WeakPolarHBondContact O-CB 3.47Å; S649-M653 WeakPolarHBondContact O-CG 3.24Å; S649-M653 PolarHBondContact O-N 3.43Å |
| 650 | R | 83.7 | Confident | 76.2 | Confident | 196 Ų | 196 | 112.2 Ų | 112.2 | 74% | 0.74 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.8 | -40.1 | 174.8 | -76.1 | 176.4 | 75.8 | -163.4 | 3.1 | 112 | D646 A654 | D646-R650 WeakPolarHBondContact O-CB 3.49Å; D646-R650 WeakPolarHBondContact O-CG 3.48Å; D646-R650 PolarHBondContact O-N 2.99Å; R650-A654 VanDerWaalsContact O-CB 3.31Å; R650-A654 WeakPolarHBondContact O-CB 3.49Å; R650-A654 PolarHBondContact O-N 3.22Å |
| 651 | W | 85.2 | Confident | 78.1 | Confident | 147 Ų | 147 | 116.2 Ų | 116.2 | 56% | 0.557 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.1 | -42.7 | 177.7 | -174.8 | 88.6 | 0 | 0 | 0 | 112.5 | S647 L648 S649 A654 R655 | S647-W651 WeakPolarHBondContact O-CB 3.34Å; S647-W651 PolarHBondContact O-N 3.4Å; L648-W651 PolarHBondContact O-N 3.14Å; S649-W651 VanDerWaalsContact C-N 3.33Å; S649-W651 PolarHBondContact O-N 2.9Å; W651-A654 PolarHBondContact O-N 3.33Å; W651-R655 WeakPolarHBondContact O-CB 3.49Å; W651-R655 PolarHBondContact O-N 3.24Å |
| 652 | Q | 88.4 | Confident | 79.8 | Confident | 87 Ų | 87 | 113.5 Ų | 113.5 | 41% | 0.407 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65 | -41.1 | 175.6 | -71.9 | -178.8 | 11.3 | 0 | 0 | 111.5 | L648 S649 R655 R656 | L648-Q652 HydrophobicContact CG-CG 4.47Å; L648-Q652 WeakPolarHBondContact O-CB 3.36Å; L648-Q652 WeakPolarHBondContact O-CG 3.39Å; L648-Q652 PolarHBondContact O-N 3.07Å; S649-Q652 PolarHBondContact O-N 3.45Å; Q652-R655 PolarHBondContact O-N 2.95Å; Q652-R656 WeakPolarHBondContact O-CB 3.49Å; Q652-R656 PolarHBondContact O-N 3.44Å |
| 653 | M | 89.9 | Confident | 81.5 | Confident | 116 Ų | 116 | 111.7 Ų | 111.7 | 57% | 0.571 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62 | -49.6 | 173.4 | -74.1 | -67.3 | -164.1 | 0 | 0 | 111.4 | S649 R655 R656 E657 | S649-M653 VanDerWaalsContact O-CB 3.3Å; S649-M653 WeakPolarHBondContact O-CB 3.47Å; S649-M653 WeakPolarHBondContact O-CG 3.24Å; S649-M653 PolarHBondContact O-N 3.43Å; M653-R655 VanDerWaalsContact C-N 3.26Å; M653-R655 PolarHBondContact O-N 3.44Å; M653-R656 PolarHBondContact O-N 2.87Å; M653-R656 VanDerWaalsContact O-N 3.12Å; M653-R656 PolarHBondContact SD-NH1 3.01Å; M653-E657 WeakPolarHBondContact O-CB 3.47Å; M653-E657 PolarHBondContact O-N 3.44Å |
| 654 | A | 90 | Very high | 83 | Confident | 52 Ų | 52 | 111.1 Ų | 111.1 | 43% | 0.43 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.1 | -33.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R650 W651 K658 | R650-A654 VanDerWaalsContact O-CB 3.31Å; R650-A654 WeakPolarHBondContact O-CB 3.49Å; R650-A654 PolarHBondContact O-N 3.22Å; W651-A654 PolarHBondContact O-N 3.33Å; A654-K658 VanDerWaalsContact O-CB 3.26Å; A654-K658 WeakPolarHBondContact O-CB 3.33Å; A654-K658 PolarHBondContact O-N 3.03Å |
| 655 | R | 92.4 | Very high | 84.2 | Confident | 161 Ų | 161 | 111.5 Ų | 111.5 | 61% | 0.608 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.4 | -39.9 | 174.7 | -167.1 | 178.7 | -172.1 | 98.9 | 2.6 | 112 | W651 Q652 M653 A659 | W651-R655 WeakPolarHBondContact O-CB 3.49Å; W651-R655 PolarHBondContact O-N 3.24Å; Q652-R655 PolarHBondContact O-N 2.95Å; M653-R655 VanDerWaalsContact C-N 3.26Å; M653-R655 PolarHBondContact O-N 3.44Å; R655-A659 WeakPolarHBondContact O-CB 3.28Å; R655-A659 PolarHBondContact O-N 3.29Å |
| 656 | R | 90.3 | Very high | 84.9 | Confident | 127 Ų | 127 | 113.8 Ų | 113.8 | 48% | 0.479 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.5 | -46.3 | 175.6 | -166.7 | -173.4 | -62.1 | 123.4 | 0.1 | 111.1 | Q652 M653 K658 A659 E660 | Q652-R656 WeakPolarHBondContact O-CB 3.49Å; Q652-R656 PolarHBondContact O-N 3.44Å; M653-R656 PolarHBondContact O-N 2.87Å; M653-R656 VanDerWaalsContact O-N 3.12Å; M653-R656 PolarHBondContact SD-NH1 3.01Å; R656-K658 VanDerWaalsContact C-N 3.33Å; R656-K658 PolarHBondContact O-N 2.85Å; R656-A659 CarbonylContact O-C 3.53Å; R656-A659 WeakPolarHBondContact O-CB 3.49Å; R656-A659 PolarHBondContact O-N 3.04Å; R656-A659 VanDerWaalsContact O-N 3.08Å; R656-E660 PolarHBondContact O-N 3.11Å |
| 657 | E | 92.1 | Very high | 84.5 | Confident | 135 Ų | 135 | 113.1 Ų | 113.1 | 63% | 0.631 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.2 | -42.6 | 175 | -177.7 | -178.2 | -161.3 | 0 | 0 | 111.4 | M653 A659 E660 W661 | M653-E657 WeakPolarHBondContact O-CB 3.47Å; M653-E657 PolarHBondContact O-N 3.44Å; E657-A659 VanDerWaalsContact C-N 3.33Å; E657-A659 PolarHBondContact O-N 2.93Å; E657-E660 PolarHBondContact O-N 2.71Å; E657-W661 VanDerWaalsContact O-CB 3.27Å; E657-W661 WeakPolarHBondContact O-CB 3.39Å; E657-W661 PolarHBondContact O-N 3.42Å |
| 658 | K | 93.5 | Very high | 83.4 | Confident | 144 Ų | 144 | 112.8 Ų | 112.8 | 63% | 0.626 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.7 | -38.2 | 174.3 | -176.5 | 174.1 | 179.9 | 175.4 | 0 | 112.4 | A654 R656 L662 | A654-K658 VanDerWaalsContact O-CB 3.26Å; A654-K658 WeakPolarHBondContact O-CB 3.33Å; A654-K658 PolarHBondContact O-N 3.03Å; R656-K658 VanDerWaalsContact C-N 3.33Å; R656-K658 PolarHBondContact O-N 2.85Å; K658-L662 HydrophobicContact CG-CD1 4.25Å; K658-L662 WeakPolarHBondContact O-CB 3.3Å; K658-L662 PolarHBondContact O-N 2.93Å |
| 659 | A | 90.2 | Very high | 82.3 | Confident | 59 Ų | 59 | 116.9 Ų | 116.9 | 49% | 0.488 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.5 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R655 R656 E657 L662 L663 | R655-A659 WeakPolarHBondContact O-CB 3.28Å; R655-A659 PolarHBondContact O-N 3.29Å; R656-A659 CarbonylContact O-C 3.53Å; R656-A659 WeakPolarHBondContact O-CB 3.49Å; R656-A659 PolarHBondContact O-N 3.04Å; R656-A659 VanDerWaalsContact O-N 3.08Å; E657-A659 VanDerWaalsContact C-N 3.33Å; E657-A659 PolarHBondContact O-N 2.93Å; A659-L662 PolarHBondContact O-N 3.3Å; A659-L663 WeakPolarHBondContact O-CB 3.43Å; A659-L663 PolarHBondContact O-N 2.97Å |
| 660 | E | 88.3 | Confident | 80.8 | Confident | 115 Ų | 115 | 121 Ų | 121 | 54% | 0.537 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.8 | -42.6 | 172.1 | -77.6 | 173.4 | -174.8 | 0 | 0 | 111.2 | R656 E657 L662 L663 E664 | R656-E660 PolarHBondContact O-N 3.11Å; E657-E660 PolarHBondContact O-N 2.71Å; E660-L662 PolarHBondContact O-N 2.75Å; E660-L663 CarbonylContact O-C 3.54Å; E660-L663 PolarHBondContact O-N 2.9Å; E660-E664 WeakPolarHBondContact O-CB 3.4Å; E660-E664 PolarHBondContact O-N 3.06Å |
| 661 | W | 90 | Very high | 79.1 | Confident | 151 Ų | 151 | 116 Ų | 116 | 57% | 0.572 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.2 | -43.4 | 175 | -175.1 | 82.6 | 0 | 0 | 0 | 111.7 | E657 E664 Q665 | E657-W661 VanDerWaalsContact O-CB 3.27Å; E657-W661 WeakPolarHBondContact O-CB 3.39Å; E657-W661 PolarHBondContact O-N 3.42Å; W661-E664 PolarHBondContact O-N 3.15Å; W661-Q665 HydrophobicContact CD2-CG 3.98Å; W661-Q665 HydrophobicContact CE3-CG 3.95Å; W661-Q665 HydrophobicContact CH2-CG 3.8Å; W661-Q665 HydrophobicContact CZ2-CG 3.81Å; W661-Q665 HydrophobicContact CZ3-CG 3.86Å; W661-Q665 VanDerWaalsContact O-CG 3.28Å; W661-Q665 WeakPolarHBondContact O-CG 3.4Å; W661-Q665 PolarHBondContact O-N 2.93Å |
| 662 | L | 87.1 | Confident | 77.1 | Confident | 84 Ų | 84 | 116.1 Ų | 116.1 | 44% | 0.44 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.7 | -42.4 | 173.7 | -101.7 | 138.5 | 0 | 0 | 0 | 112 | K658 A659 E660 Q665 E666 | K658-L662 HydrophobicContact CG-CD1 4.25Å; K658-L662 WeakPolarHBondContact O-CB 3.3Å; K658-L662 PolarHBondContact O-N 2.93Å; A659-L662 PolarHBondContact O-N 3.3Å; E660-L662 PolarHBondContact O-N 2.75Å; L662-Q665 PolarHBondContact O-N 3.35Å; L662-E666 WeakPolarHBondContact O-CG 3.45Å; L662-E666 PolarHBondContact O-N 2.87Å |
| 663 | L | 86 | Confident | 75 | Confident | 93 Ų | 93 | 120 Ų | 120 | 49% | 0.487 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.1 | -40.1 | 175.8 | -168.5 | 68 | 0 | 0 | 0 | 111 | A659 E660 Q665 E666 H667 | A659-L663 WeakPolarHBondContact O-CB 3.43Å; A659-L663 PolarHBondContact O-N 2.97Å; E660-L663 CarbonylContact O-C 3.54Å; E660-L663 PolarHBondContact O-N 2.9Å; L663-Q665 VanDerWaalsContact C-N 3.35Å; L663-E666 CarbonylContact O-C 3.58Å; L663-E666 WeakPolarHBondContact O-CB 3.44Å; L663-E666 PolarHBondContact O-N 3.45Å; L663-E666 VanDerWaalsContact O-N 3.11Å; L663-H667 WeakPolarHBondContact O-CB 2.91Å; L663-H667 PolarHBondContact O-CD2 3.49Å; L663-H667 VanDerWaalsContact O-CD2 3.24Å; L663-H667 PolarHBondContact O-N 3.25Å |
| 664 | E | 84.8 | Confident | 72.6 | Confident | 138 Ų | 138 | 118.9 Ų | 118.9 | 65% | 0.645 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.9 | -27.7 | 175.9 | -168.6 | 160.9 | -154.1 | 0 | 0 | 112.5 | E660 W661 E666 H667 P668 | E660-E664 WeakPolarHBondContact O-CB 3.4Å; E660-E664 PolarHBondContact O-N 3.06Å; W661-E664 PolarHBondContact O-N 3.15Å; E664-E666 VanDerWaalsContact C-N 3.34Å; E664-H667 PolarHBondContact O-N 2.85Å; E664-P668 WeakPolarHBondContact O-CD 3.4Å; E664-P668 VanDerWaalsContact O-CG 3.22Å; E664-P668 WeakPolarHBondContact O-CG 3.47Å |
| 665 | Q | 79.1 | Confident | 70.4 | Confident | 106 Ų | 106 | 124.4 Ų | 124.4 | 50% | 0.495 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -71.7 | -26.2 | 167.2 | -68.1 | -50.3 | -69.4 | 0 | 0 | 112.7 | W661 L662 L663 P668 | W661-Q665 HydrophobicContact CD2-CG 3.98Å; W661-Q665 HydrophobicContact CE3-CG 3.95Å; W661-Q665 HydrophobicContact CH2-CG 3.8Å; W661-Q665 HydrophobicContact CZ2-CG 3.81Å; W661-Q665 HydrophobicContact CZ3-CG 3.86Å; W661-Q665 VanDerWaalsContact O-CG 3.28Å; W661-Q665 WeakPolarHBondContact O-CG 3.4Å; W661-Q665 PolarHBondContact O-N 2.93Å; L662-Q665 PolarHBondContact O-N 3.35Å; L663-Q665 VanDerWaalsContact C-N 3.35Å; Q665-P668 WeakPolarHBondContact O-CD 3.39Å |
| 666 | E | 71.9 | Confident | 68.1 | Low | 135 Ų | 135 | 123.1 Ų | 123.1 | 63% | 0.631 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -82.1 | -23.8 | 171.7 | -71.9 | 179.3 | -177.9 | 0 | 0 | 112.3 | L662 L663 E664 | L662-E666 WeakPolarHBondContact O-CG 3.45Å; L662-E666 PolarHBondContact O-N 2.87Å; L663-E666 CarbonylContact O-C 3.58Å; L663-E666 WeakPolarHBondContact O-CB 3.44Å; L663-E666 PolarHBondContact O-N 3.45Å; L663-E666 VanDerWaalsContact O-N 3.11Å; E664-E666 VanDerWaalsContact C-N 3.34Å |
| 667 | H | 58.8 | Low | 66.3 | Low | 112 Ų | 112 | 126.1 Ų | 126.1 | 52% | 0.519 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -91.1 | 4.1 | 179.1 | -85.5 | -77.2 | 0 | 0 | 0 | 119.9 | L663 E664 L669 | L663-H667 WeakPolarHBondContact O-CB 2.91Å; L663-H667 PolarHBondContact O-CD2 3.49Å; L663-H667 VanDerWaalsContact O-CD2 3.24Å; L663-H667 PolarHBondContact O-N 3.25Å; E664-H667 PolarHBondContact O-N 2.85Å; H667-L669 PolarHBondContact O-N 3.42Å |
| 668 | P | 52.4 | Low | 64.3 | Low | 82 Ų | 82 | 126 Ų | 126 | 53% | 0.532 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.7 | 11.4 | 177.5 | 2.6 | 15.2 | 0 | 0 | 0 | 114.9 | E664 Q665 | E664-P668 WeakPolarHBondContact O-CD 3.4Å; E664-P668 VanDerWaalsContact O-CG 3.22Å; E664-P668 WeakPolarHBondContact O-CG 3.47Å; Q665-P668 WeakPolarHBondContact O-CD 3.39Å |
| 669 | L | 53.2 | Low | 62.8 | Low | 158 Ų | 158 | 124.6 Ų | 124.6 | 83% | 0.827 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.4 | 13.2 | -175.8 | -66.9 | 176.8 | 0 | 0 | 0 | 115.3 | H667 | H667-L669 PolarHBondContact O-N 3.42Š|
| 670 | N | 49.7 | Very low | 62.1 | Low | 142 Ų | 142 | 126.6 Ų | 126.6 | 76% | 0.759 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -133.5 | 15.1 | -175 | -75.6 | -48.2 | 0 | 0 | 0 | 115.9 | | |
| 671 | S | 47.1 | Very low | 61.5 | Low | 92 Ų | 92 | 123.9 Ų | 123.9 | 64% | 0.643 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -128.2 | 123.6 | 171.2 | 58.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 672 | D | 44.8 | Very low | 60.8 | Low | 150 Ų | 150 | 120.8 Ų | 120.8 | 80% | 0.802 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 62.5 | 68.1 | 166 | -57.4 | -22.4 | 0 | 0 | 0 | 115.7 | | |
| 673 | D | 43.2 | Very low | 60.4 | Low | 167 Ų | 167 | 121.1 Ų | 121.1 | 89% | 0.893 | 67% | 0.67 | S | S | * | * | | | | -156.4 | 110.7 | 126.7 | -94.5 | -29.9 | 0 | 0 | 0 | 110.3 | | |
| 674 | S | 39.1 | Very low | 60.2 | Low | 94 Ų | 94 | 122.5 Ų | 122.5 | 66% | 0.657 | 68% | 0.676 | S | S | * | * | | | trans | -62.1 | 144.3 | 172.9 | 52.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 675 | E | 44.2 | Very low | 60 | Low | 168 Ų | 168 | 122.9 Ų | 122.9 | 79% | 0.785 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 86.9 | 112.6 | 155.8 | -34.4 | -160.4 | 178.6 | 0 | 0 | 116.2 | | |
| 676 | T | 43.9 | Very low | 60.1 | Low | 133 Ų | 133 | 119.5 Ų | 119.5 | 82% | 0.816 | 67% | 0.67 | S | S | * | * | | | trans | 78.6 | 71.7 | 153.8 | 68.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 677 | E | 52.4 | Low | 60.4 | Low | 191 Ų | 191 | 120.6 Ų | 120.6 | 89% | 0.893 | 67% | 0.669 | S | S | * | * | | | | -166.9 | 116.7 | 129.4 | -110.9 | 166.6 | -174.8 | 0 | 0 | 110.2 | N679 | E677-N679 VanDerWaalsContact C-N 3.34Å; E677-N679 PolarHBondContact O-N 3.2Å |
| 678 | T | 49.5 | Very low | 61.4 | Low | 133 Ų | 133 | 117 Ų | 117 | 82% | 0.816 | 66% | 0.662 | S | S | * | * | | | trans | -66.4 | 89.7 | 179.2 | 45.4 | 0 | 0 | 0 | 0 | 109.7 | T680 | T678-T680 PolarHBondContact O-N 3.2Š|
| 679 | N | 63.8 | Low | 62.8 | Low | 113 Ų | 113 | 117.6 Ų | 117.6 | 60% | 0.604 | 66% | 0.659 | S | S | * | * | | | trans | -71.7 | 112.2 | 176.3 | -149.9 | -20.3 | 0 | 0 | 0 | 108.8 | E677 A681 S682 V683 | E677-N679 VanDerWaalsContact C-N 3.34Å; E677-N679 PolarHBondContact O-N 3.2Å; N679-A681 PolarHBondContact O-N 3.23Å; N679-S682 WeakPolarHBondContact O-CB 3.35Å; N679-S682 PolarHBondContact O-N 3.17Å; N679-V683 PolarHBondContact O-N 3.43Å |
| 680 | T | 75.3 | Confident | 63.8 | Low | 101 Ų | 101 | 116 Ų | 116 | 62% | 0.62 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -52.6 | -28.9 | -179.4 | 45.2 | 0 | 0 | 0 | 0 | 112.1 | T678 S682 V683 I684 | T678-T680 PolarHBondContact O-N 3.2Å; T680-S682 PolarHBondContact O-N 2.95Å; T680-V683 PolarHBondContact O-N 3.04Å; T680-I684 WeakPolarHBondContact O-CB 3.08Å; T680-I684 WeakPolarHBondContact O-CD1 3Å; T680-I684 WeakPolarHBondContact O-CG1 3.22Å; T680-I684 PolarHBondContact O-N 2.97Å |
| 681 | A | 74.9 | Confident | 64.9 | Low | 58 Ų | 58 | 114.2 Ų | 114.2 | 48% | 0.479 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -61.4 | -38.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N679 I684 F685 | N679-A681 PolarHBondContact O-N 3.23Å; A681-I684 PolarHBondContact O-N 2.97Å; A681-F685 VanDerWaalsContact O-CB 3.24Å; A681-F685 WeakPolarHBondContact O-CB 3.33Å; A681-F685 PolarHBondContact O-N 2.77Å |
| 682 | S | 75.8 | Confident | 66 | Low | 86 Ų | 86 | 115 Ų | 115 | 60% | 0.601 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.8 | -35.9 | 177.1 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | N679 T680 G686 | N679-S682 WeakPolarHBondContact O-CB 3.35Å; N679-S682 PolarHBondContact O-N 3.17Å; T680-S682 PolarHBondContact O-N 2.95Å; S682-G686 PolarHBondContact O-N 2.97Å |
| 683 | V | 77.7 | Confident | 67 | Low | 92 Ų | 92 | 111.2 Ų | 111.2 | 56% | 0.558 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.8 | -44.7 | 173.2 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | N679 T680 G686 Y687 | N679-V683 PolarHBondContact O-N 3.43Å; T680-V683 PolarHBondContact O-N 3.04Å; V683-G686 PolarHBondContact O-N 2.88Å; V683-Y687 WeakPolarHBondContact O-CB 3.46Å; V683-Y687 PolarHBondContact O-N 3.46Å |
| 684 | I | 82.9 | Confident | 67.2 | Low | 121 Ų | 121 | 106.2 Ų | 106.2 | 62% | 0.621 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.7 | -43.2 | 177.5 | -67.9 | 163.2 | 0 | 0 | 0 | 110.7 | T680 A681 Y687 G688 | T680-I684 WeakPolarHBondContact O-CB 3.08Å; T680-I684 WeakPolarHBondContact O-CD1 3Å; T680-I684 WeakPolarHBondContact O-CG1 3.22Å; T680-I684 PolarHBondContact O-N 2.97Å; A681-I684 PolarHBondContact O-N 2.97Å; I684-Y687 PolarHBondContact O-N 3.25Å; I684-G688 PolarHBondContact O-N 3.26Å |
| 685 | F | 80.8 | Confident | 67.7 | Low | 146 Ų | 146 | 106.6 Ų | 106.6 | 64% | 0.64 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.1 | -43.2 | 175.9 | -176.2 | -97.9 | 0 | 0 | 0 | 111.7 | A681 Y687 G688 M689 | A681-F685 VanDerWaalsContact O-CB 3.24Å; A681-F685 WeakPolarHBondContact O-CB 3.33Å; A681-F685 PolarHBondContact O-N 2.77Å; F685-Y687 PolarHBondContact O-N 3.34Å; F685-G688 PolarHBondContact O-N 3.5Å; F685-M689 HydrophobicContact CD1-CG 4.16Å; F685-M689 HydrophobicContact CE1-CG 3.74Å; F685-M689 HydrophobicContact CE2-CG 4.37Å; F685-M689 HydrophobicContact CZ-CG 3.86Å; F685-M689 HydrophobicContact CZ-SD 4.27Å; F685-M689 WeakPolarHBondContact O-CB 3.47Å; F685-M689 WeakPolarHBondContact O-CG 3.44Å; F685-M689 PolarHBondContact O-N 3.45Å |
| 686 | G | 79.7 | Confident | 67.5 | Low | 36 Ų | 36 | 104 Ų | 104 | 37% | 0.371 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -61.1 | -41.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S682 V683 M689 Q690 | S682-G686 PolarHBondContact O-N 2.97Å; V683-G686 PolarHBondContact O-N 2.88Å; G686-M689 PolarHBondContact O-N 3.26Å; G686-Q690 VanDerWaalsContact O-CB 3.32Å; G686-Q690 WeakPolarHBondContact O-CB 3.47Å; G686-Q690 PolarHBondContact O-N 3.48Å |
| 687 | Y | 77.9 | Confident | 67.6 | Low | 158 Ų | 158 | 102.5 Ų | 102.5 | 62% | 0.62 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.5 | -43.2 | 174.8 | -131.5 | -92.2 | 0 | 0 | 0 | 111.4 | V683 I684 F685 M689 Q690 V691 | V683-Y687 WeakPolarHBondContact O-CB 3.46Å; V683-Y687 PolarHBondContact O-N 3.46Å; I684-Y687 PolarHBondContact O-N 3.25Å; F685-Y687 PolarHBondContact O-N 3.34Å; Y687-M689 PolarHBondContact O-N 3.46Å; Y687-Q690 PolarHBondContact O-N 3.43Å; Y687-V691 HydrophobicContact CD1-CG2 4.2Å; Y687-V691 WeakPolarHBondContact O-CB 3.27Å; Y687-V691 VanDerWaalsContact O-CG2 3.23Å; Y687-V691 WeakPolarHBondContact O-CG2 3.28Å; Y687-V691 PolarHBondContact O-N 3.35Å |
| 688 | G | 80.7 | Confident | 67.2 | Low | 35 Ų | 35 | 100.2 Ų | 100.2 | 36% | 0.361 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60 | -44.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I684 F685 V691 C692 | I684-G688 PolarHBondContact O-N 3.26Å; F685-G688 PolarHBondContact O-N 3.5Å; G688-V691 PolarHBondContact O-N 3.19Å; G688-C692 WeakPolarHBondContact O-CB 3.34Å; G688-C692 PolarHBondContact O-N 3.23Å; G688-C692 PolarHBondContact O-SG 2.91Å |
| 689 | M | 81.5 | Confident | 66.8 | Low | 95 Ų | 95 | 98.6 Ų | 98.6 | 47% | 0.468 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.5 | -38.9 | 175.7 | -76 | -61.3 | -62.5 | 0 | 0 | 112.5 | F685 G686 Y687 C692 S693 | F685-M689 HydrophobicContact CD1-CG 4.16Å; F685-M689 HydrophobicContact CE1-CG 3.74Å; F685-M689 HydrophobicContact CE2-CG 4.37Å; F685-M689 HydrophobicContact CZ-CG 3.86Å; F685-M689 HydrophobicContact CZ-SD 4.27Å; F685-M689 WeakPolarHBondContact O-CB 3.47Å; F685-M689 WeakPolarHBondContact O-CG 3.44Å; F685-M689 PolarHBondContact O-N 3.45Å; G686-M689 PolarHBondContact O-N 3.26Å; Y687-M689 PolarHBondContact O-N 3.46Å; M689-C692 PolarHBondContact O-N 2.92Å; M689-S693 VanDerWaalsContact O-CB 3.22Å; M689-S693 WeakPolarHBondContact O-CB 3.35Å; M689-S693 PolarHBondContact O-N 3.49Å; M689-S693 PolarHBondContact O-OG 3.31Å |
| 690 | Q | 74.2 | Confident | 65.9 | Low | 124 Ų | 124 | 103.4 Ų | 103.4 | 58% | 0.579 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.6 | -36.2 | 177.9 | -170.5 | 165.6 | 17.9 | 0 | 0 | 112.2 | G686 Y687 | G686-Q690 VanDerWaalsContact O-CB 3.32Å; G686-Q690 WeakPolarHBondContact O-CB 3.47Å; G686-Q690 PolarHBondContact O-N 3.48Å; Y687-Q690 PolarHBondContact O-N 3.43Å |
| 691 | V | 73.5 | Confident | 64.5 | Low | 106 Ų | 106 | 107 Ų | 107 | 64% | 0.642 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.5 | -44 | 173 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | Y687 G688 S693 | Y687-V691 HydrophobicContact CD1-CG2 4.2Å; Y687-V691 WeakPolarHBondContact O-CB 3.27Å; Y687-V691 VanDerWaalsContact O-CG2 3.23Å; Y687-V691 WeakPolarHBondContact O-CG2 3.28Å; Y687-V691 PolarHBondContact O-N 3.35Å; G688-V691 PolarHBondContact O-N 3.19Å; V691-S693 VanDerWaalsContact C-N 3.33Å; V691-S693 PolarHBondContact O-N 2.76Å |
| 692 | C | 70.8 | Confident | 63 | Low | 109 Ų | 109 | 113.4 Ų | 113.4 | 74% | 0.736 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.6 | -29.3 | 176.8 | -70.6 | 0 | 0 | 0 | 0 | 113.5 | G688 M689 G694 | G688-C692 WeakPolarHBondContact O-CB 3.34Å; G688-C692 PolarHBondContact O-N 3.23Å; G688-C692 PolarHBondContact O-SG 2.91Å; M689-C692 PolarHBondContact O-N 2.92Å; C692-G694 VanDerWaalsContact C-N 3.3Å; C692-G694 PolarHBondContact O-N 2.94Å |
| 693 | S | 65.4 | Low | 61.6 | Low | 70 Ų | 70 | 116 Ų | 116 | 49% | 0.49 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.8 | 0.3 | -175.8 | -58 | 0 | 0 | 0 | 0 | 114.4 | M689 V691 T695 | M689-S693 VanDerWaalsContact O-CB 3.22Å; M689-S693 WeakPolarHBondContact O-CB 3.35Å; M689-S693 PolarHBondContact O-N 3.49Å; M689-S693 PolarHBondContact O-OG 3.31Å; V691-S693 VanDerWaalsContact C-N 3.33Å; V691-S693 PolarHBondContact O-N 2.76Å; S693-T695 PolarHBondContact O-N 3.12Å |
| 694 | G | 48 | Very low | 59.9 | Low | 61 Ų | 61 | 121.8 Ų | 121.8 | 63% | 0.629 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.1 | 14.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | C692 S696 | C692-G694 VanDerWaalsContact C-N 3.3Å; C692-G694 PolarHBondContact O-N 2.94Å; G694-S696 PolarHBondContact O-N 3.4Å |
| 695 | T | 48.5 | Very low | 57.7 | Low | 102 Ų | 102 | 121 Ų | 121 | 63% | 0.626 | 67% | 0.671 | S | S | * | * | | | trans | -85.2 | 84.7 | 178.4 | 53.6 | 0 | 0 | 0 | 0 | 109.9 | S693 S697 | S693-T695 PolarHBondContact O-N 3.12Å; T695-S697 PolarHBondContact O-N 3.08Å |
| 696 | S | 40.7 | Very low | 55.6 | Low | 113 Ų | 113 | 119.1 Ų | 119.1 | 79% | 0.79 | 68% | 0.676 | S | S | * | * | | | trans | -64.4 | 95.3 | 170.5 | 37.5 | 0 | 0 | 0 | 0 | 110.9 | G694 | G694-S696 PolarHBondContact O-N 3.4Š|
| 697 | S | 46.5 | Very low | 53.4 | Low | 103 Ų | 103 | 123.6 Ų | 123.6 | 72% | 0.72 | 70% | 0.696 | S | S | * | * | | | trans | -160.9 | 83.4 | 165.7 | -87.8 | 0 | 0 | 0 | 0 | 112.8 | T695 | T695-S697 PolarHBondContact O-N 3.08Š|
| 698 | N | 43.9 | Very low | 51.6 | Low | 143 Ų | 143 | 122.4 Ų | 122.4 | 77% | 0.765 | 71% | 0.705 | S | S | * | * | | | | 170.7 | 116.3 | 106.2 | -97.8 | -37.6 | 0 | 0 | 0 | 112.4 | R700 | N698-R700 PolarHBondContact O-N 3.06Š|
| 699 | S | 40.3 | Very low | 49.4 | Very low | 99 Ų | 99 | 126.7 Ų | 126.7 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | | | trans | -50.2 | 122.7 | 151.5 | 179 | 0 | 0 | 0 | 0 | 111.2 | | |
| 700 | R | 45.6 | Very low | 47.4 | Very low | 213 Ų | 213 | 127.7 Ų | 127.7 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | | | trans | -156 | 115.4 | 141.5 | -119 | 177.2 | -84.1 | -177.4 | -2.5 | 113.1 | N698 | N698-R700 PolarHBondContact O-N 3.06Š|
| 701 | K | 44.7 | Very low | 45.8 | Very low | 176 Ų | 176 | 126.6 Ų | 126.6 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | | | trans | -56.6 | 135.4 | 171 | -58.7 | 163.4 | 176.1 | 177.3 | 0 | 111.4 | | |
| 702 | F | 43.7 | Very low | 44.3 | Very low | 193 Ų | 193 | 128.1 Ų | 128.1 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | | | trans | -140.4 | 105.5 | 150.7 | -90 | -77.9 | 0 | 0 | 0 | 112 | | |
| 703 | N | 46.9 | Very low | 43 | Very low | 140 Ų | 140 | 130.8 Ų | 130.8 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | trans | -15.1 | 130.8 | 159.7 | -52.4 | -42.2 | 0 | 0 | 0 | 120.8 | | |
| 704 | K | 42 | Very low | 41.8 | Very low | 214 Ų | 214 | 135.4 Ų | 135.4 | 93% | 0.93 | 78% | 0.777 | S | S | * | * | | | | 17 | 121.9 | 125.1 | -95.9 | 164 | 173.7 | 168.4 | 0 | 119.9 | | |
| 705 | A | 36.7 | Very low | 41.5 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 88% | 0.876 | 78% | 0.78 | S | S | * | * | | | trans | -164.8 | 151.8 | 142.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 706 | S | 37.4 | Very low | 40.9 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | | | cis | -169.2 | 112.1 | -18.7 | 170.9 | 0 | 0 | 0 | 0 | 104.9 | | |
| 707 | T | 33 | Very low | 40.9 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | | | trans | -75.2 | 130.6 | 174.4 | -53.7 | 0 | 0 | 0 | 0 | 110.5 | V709 | T707-V709 HydrophobicContact CG2-CG2 4.04Š|
| 708 | V | 39 | Very low | 40.5 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | trans | -116.7 | 114.3 | 163.9 | 175.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 709 | V | 35.1 | Very low | 40.3 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | | | trans | -96.1 | 136.4 | 169.8 | 167.2 | 0 | 0 | 0 | 0 | 108.1 | T707 | T707-V709 HydrophobicContact CG2-CG2 4.04Š|
| 710 | S | 40.6 | Very low | 40.3 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -118 | 128 | 158.8 | 54.7 | 0 | 0 | 0 | 0 | 110 | | |
| 711 | S | 39.1 | Very low | 40.2 | Very low | 101 Ų | 101 | 135.9 Ų | 135.9 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | | | trans | -82.7 | 142.3 | 179.3 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 712 | V | 42.8 | Very low | 40.1 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | | | trans | -145.1 | 99.2 | 152.1 | -179.2 | 0 | 0 | 0 | 0 | 105 | | |
| 713 | E | 42.4 | Very low | 40 | Very low | 166 Ų | 166 | 134 Ų | 134 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | | 56.8 | 108.5 | 92.2 | -80 | 177.4 | 171.5 | 0 | 0 | 114.6 | | |
| 714 | D | 41.8 | Very low | 40.2 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | | | trans | 64.9 | 103.1 | 155 | -58 | -17.9 | 0 | 0 | 0 | 119.8 | | |
| 715 | G | 40.9 | Very low | 40.6 | Very low | 67 Ų | 67 | 130.1 Ų | 130.1 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | | | trans | 170.9 | 83.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | I717 | G715-I717 PolarHBondContact O-N 3.45Š|
| 716 | S | 36.9 | Very low | 41.1 | Very low | 128 Ų | 128 | 130 Ų | 130 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | | | trans | -55.6 | 114.8 | 168.8 | 173 | 0 | 0 | 0 | 0 | 111.2 | | |
| 717 | I | 39.4 | Very low | 41.7 | Very low | 152 Ų | 152 | 131 Ų | 131 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | trans | -125.8 | 118.5 | 165.2 | -44.3 | 176.7 | 0 | 0 | 0 | 108.4 | G715 | G715-I717 PolarHBondContact O-N 3.45Š|
| 718 | A | 38.2 | Very low | 42.8 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | | | trans | -76.8 | 117.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109 | T720 | A718-T720 PolarHBondContact O-N 2.96Š|
| 719 | L | 40 | Very low | 43.8 | Very low | 170 Ų | 170 | 131.6 Ų | 131.6 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | | | trans | -79.3 | 114.1 | 171.7 | -67.7 | 169.8 | 0 | 0 | 0 | 109 | A721 | L719-A721 PolarHBondContact O-N 3.42Š|
| 720 | T | 40.9 | Very low | 45 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | | | trans | -73.6 | 116.1 | 165.5 | 47.1 | 0 | 0 | 0 | 0 | 108.5 | A718 S722 | A718-T720 PolarHBondContact O-N 2.96Å; T720-S722 PolarHBondContact O-N 2.79Å; T720-S722 VanDerWaalsContact O-N 3.11Å |
| 721 | A | 42.4 | Very low | 46.5 | Very low | 102 Ų | 102 | 126.6 Ų | 126.6 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | | | trans | -67.5 | 105.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L719 | L719-A721 PolarHBondContact O-N 3.42Š|
| 722 | S | 42.6 | Very low | 47.8 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | | | trans | -71.9 | 120.5 | 159.5 | 176.8 | 0 | 0 | 0 | 0 | 108.1 | T720 I724 | T720-S722 PolarHBondContact O-N 2.79Å; T720-S722 VanDerWaalsContact O-N 3.11Å; S722-I724 PolarHBondContact O-N 3.37Å |
| 723 | R | 41.3 | Very low | 49 | Very low | 224 Ų | 224 | 129 Ų | 129 | 85% | 0.845 | 74% | 0.743 | S | S | * | * | | | trans | -77.2 | 97.7 | -178.3 | -174.2 | 178.6 | -175.9 | 171.3 | 0.6 | 108.2 | | |
| 724 | I | 52.7 | Low | 50.3 | Low | 156 Ų | 156 | 128.5 Ų | 128.5 | 80% | 0.8 | 74% | 0.735 | S | S | * | * | | | trans | -84.3 | 118.3 | 170.2 | -56 | 172.3 | 0 | 0 | 0 | 107.2 | S722 S726 | S722-I724 PolarHBondContact O-N 3.37Å; I724-S726 PolarHBondContact O-N 3.01Å |
| 725 | D | 49.1 | Very low | 51.5 | Low | 117 Ų | 117 | 126.3 Ų | 126.3 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | | | trans | -62.2 | 130.3 | -177.5 | -75.1 | -44 | 0 | 0 | 0 | 112.5 | H727 | D725-H727 PolarHBondContact O-N 2.79Š|
| 726 | S | 48.3 | Very low | 53.1 | Low | 102 Ų | 102 | 130 Ų | 130 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | | | trans | -74.7 | 99.7 | -177.4 | 49.3 | 0 | 0 | 0 | 0 | 112.3 | I724 | I724-S726 PolarHBondContact O-N 3.01Š|
| 727 | H | 49.1 | Very low | 54.9 | Low | 126 Ų | 126 | 130.9 Ų | 130.9 | 58% | 0.583 | 70% | 0.701 | S | S | * | * | | | trans | -113 | 45.3 | 167.3 | -68.7 | -66.9 | 0 | 0 | 0 | 112.6 | D725 | D725-H727 PolarHBondContact O-N 2.79Š|
| 728 | I | 55.9 | Low | 56.7 | Low | 164 Ų | 164 | 126.8 Ų | 126.8 | 84% | 0.841 | 68% | 0.683 | S | S | * | * | | | trans | -89 | 2.1 | -169.1 | -68.6 | 171.3 | 0 | 0 | 0 | 114.1 | | |
| 729 | S | 59.9 | Low | 58.6 | Low | 114 Ų | 114 | 130 Ų | 130 | 80% | 0.797 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -132.2 | 12.6 | -176 | 66.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 730 | D | 61.6 | Low | 60.4 | Low | 73 Ų | 73 | 128 Ų | 128 | 39% | 0.39 | 67% | 0.67 | S | S | . | * | | | trans | -97.2 | 131.8 | 178.2 | -86.7 | -42.6 | 0 | 0 | 0 | 113.2 | L732 R734 | D730-L732 PolarHBondContact O-N 3.4Å; D730-R734 IonicContact OD1-NH1 3.79Å |
| 731 | S | 70.8 | Confident | 62.2 | Low | 62 Ų | 62 | 127.6 Ų | 127.6 | 43% | 0.434 | 66% | 0.658 | S | S | . | * | | | trans | -45.1 | 135.2 | 174.5 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | L733 R734 R735 | S731-L733 PolarHBondContact O-N 2.83Å; S731-L733 PolarHBondContact OG-N 3.44Å; S731-R734 WeakPolarHBondContact O-CA 3.26Å; S731-R734 WeakPolarHBondContact O-CB 3.15Å; S731-R734 PolarHBondContact O-N 2.83Å; S731-R735 PolarHBondContact O-N 2.93Å; S731-R735 VanDerWaalsContact O-N 3.14Å |
| 732 | L | 67.5 | Low | 64.1 | Low | 139 Ų | 139 | 128.3 Ų | 128.3 | 73% | 0.728 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -50.3 | -33.3 | 175.4 | -78.6 | 160.7 | 0 | 0 | 0 | 112.6 | D730 R734 R735 | D730-L732 PolarHBondContact O-N 3.4Å; L732-R734 VanDerWaalsContact C-N 3.32Å; L732-R734 PolarHBondContact O-N 2.75Å; L732-R735 WeakPolarHBondContact O-CB 3.19Å; L732-R735 PolarHBondContact O-N 3.4Å |
| 733 | L | 67.6 | Low | 65.8 | Low | 149 Ų | 149 | 126 Ų | 126 | 78% | 0.78 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.5 | -24.3 | 174.5 | -78.6 | 128.5 | 0 | 0 | 0 | 114.3 | S731 | S731-L733 PolarHBondContact O-N 2.83Å; S731-L733 PolarHBondContact OG-N 3.44Å |
| 734 | R | 69.8 | Low | 67.4 | Low | 157 Ų | 157 | 122.9 Ų | 122.9 | 59% | 0.592 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -86.5 | -28.6 | 173.7 | -72.6 | -173.5 | 176.9 | 171.8 | -0.7 | 112.3 | D730 S731 L732 E736 K737 T738 | D730-R734 IonicContact OD1-NH1 3.79Å; S731-R734 WeakPolarHBondContact O-CA 3.26Å; S731-R734 WeakPolarHBondContact O-CB 3.15Å; S731-R734 PolarHBondContact O-N 2.83Å; L732-R734 VanDerWaalsContact C-N 3.32Å; L732-R734 PolarHBondContact O-N 2.75Å; R734-E736 VanDerWaalsContact C-N 3.29Å; R734-E736 PolarHBondContact O-N 3.4Å; R734-K737 PolarHBondContact O-N 3.43Å; R734-K737 VanDerWaalsContact O-N 3.11Å; R734-T738 PolarHBondContact O-N 3.18Å; R734-T738 PolarHBondContact O-OG1 3.05Å; R734-T738 VanDerWaalsContact O-OG1 3.1Å |
| 735 | R | 66.4 | Low | 68.7 | Low | 121 Ų | 121 | 121.9 Ų | 121.9 | 46% | 0.457 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -60.2 | -38.6 | -177.7 | -135.2 | 175.6 | -173 | 146.2 | 0.7 | 112.3 | S731 L732 T738 K739 | S731-R735 PolarHBondContact O-N 2.93Å; S731-R735 VanDerWaalsContact O-N 3.14Å; L732-R735 WeakPolarHBondContact O-CB 3.19Å; L732-R735 PolarHBondContact O-N 3.4Å; R735-T738 WeakPolarHBondContact CA-OG1 3.36Å; R735-T738 PolarHBondContact O-OG1 2.89Å; R735-K739 WeakPolarHBondContact O-CB 3.24Å; R735-K739 PolarHBondContact O-N 3.39Å |
| 736 | E | 73.5 | Confident | 69.9 | Low | 144 Ų | 144 | 119.8 Ų | 119.8 | 67% | 0.673 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.7 | -42.3 | 174 | -67.9 | -170.7 | 166.1 | 0 | 0 | 112.2 | R734 T738 K739 L740 | R734-E736 VanDerWaalsContact C-N 3.29Å; R734-E736 PolarHBondContact O-N 3.4Å; E736-T738 PolarHBondContact O-N 2.8Å; E736-K739 PolarHBondContact O-N 2.83Å; E736-L740 WeakPolarHBondContact O-CB 3.31Å; E736-L740 PolarHBondContact O-N 2.96Å |
| 737 | K | 75.8 | Confident | 70.9 | Confident | 147 Ų | 147 | 117.6 Ų | 117.6 | 64% | 0.639 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.4 | -42.8 | 176.7 | -172.2 | 173.1 | 179 | 172.3 | 0 | 111.7 | R734 L740 E741 | R734-K737 PolarHBondContact O-N 3.43Å; R734-K737 VanDerWaalsContact O-N 3.11Å; K737-L740 PolarHBondContact O-N 2.85Å; K737-E741 VanDerWaalsContact O-CB 3.27Å; K737-E741 WeakPolarHBondContact O-CB 3.3Å; K737-E741 PolarHBondContact O-N 3.3Å |
| 738 | T | 76.5 | Confident | 71.6 | Confident | 66 Ų | 66 | 114.4 Ų | 114.4 | 41% | 0.405 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.9 | -37.1 | 176.3 | 50.5 | 0 | 0 | 0 | 0 | 111.9 | R734 R735 E736 E741 L742 | R734-T738 PolarHBondContact O-N 3.18Å; R734-T738 PolarHBondContact O-OG1 3.05Å; R734-T738 VanDerWaalsContact O-OG1 3.1Å; R735-T738 WeakPolarHBondContact CA-OG1 3.36Å; R735-T738 PolarHBondContact O-OG1 2.89Å; E736-T738 PolarHBondContact O-N 2.8Å; T738-E741 PolarHBondContact O-N 2.88Å; T738-L742 VanDerWaalsContact O-CB 3.31Å; T738-L742 WeakPolarHBondContact O-CB 3.07Å; T738-L742 PolarHBondContact O-N 3.42Å |
| 739 | K | 79.1 | Confident | 72 | Confident | 158 Ų | 158 | 112.2 Ų | 112.2 | 69% | 0.687 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.2 | -43.5 | 174.2 | -87.3 | -173.2 | 174.5 | -173.6 | 0 | 112 | R735 E736 L742 A743 | R735-K739 WeakPolarHBondContact O-CB 3.24Å; R735-K739 PolarHBondContact O-N 3.39Å; E736-K739 PolarHBondContact O-N 2.83Å; K739-L742 PolarHBondContact O-N 3.47Å; K739-A743 WeakPolarHBondContact O-CB 3.42Å; K739-A743 PolarHBondContact O-N 3.22Å |
| 740 | L | 76.8 | Confident | 71.8 | Confident | 128 Ų | 128 | 111 Ų | 111 | 67% | 0.67 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.3 | -39.9 | 175.5 | -85.9 | 163.7 | 0 | 0 | 0 | 112.1 | E736 K737 A743 F744 | E736-L740 WeakPolarHBondContact O-CB 3.31Å; E736-L740 PolarHBondContact O-N 2.96Å; K737-L740 PolarHBondContact O-N 2.85Å; L740-A743 PolarHBondContact O-N 2.92Å; L740-F744 VanDerWaalsContact O-CB 3.31Å; L740-F744 WeakPolarHBondContact O-CB 2.88Å; L740-F744 PolarHBondContact O-N 3.46Å |
| 741 | E | 79.5 | Confident | 71.4 | Confident | 125 Ų | 125 | 114.4 Ų | 114.4 | 58% | 0.584 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.9 | -40 | 176.3 | -170.6 | 168.5 | -176.8 | 0 | 0 | 111.5 | K737 T738 F744 K745 | K737-E741 VanDerWaalsContact O-CB 3.27Å; K737-E741 WeakPolarHBondContact O-CB 3.3Å; K737-E741 PolarHBondContact O-N 3.3Å; T738-E741 PolarHBondContact O-N 2.88Å; E741-F744 PolarHBondContact O-N 3.22Å; E741-K745 VanDerWaalsContact O-CB 3.3Å; E741-K745 WeakPolarHBondContact O-CB 3.11Å; E741-K745 PolarHBondContact O-N 3.08Å |
| 742 | L | 81.6 | Confident | 70.5 | Confident | 117 Ų | 117 | 120 Ų | 120 | 61% | 0.613 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.5 | -41.1 | 174.9 | -139.3 | 151.7 | 0 | 0 | 0 | 111.3 | T738 K739 K745 C746 | T738-L742 VanDerWaalsContact O-CB 3.31Å; T738-L742 WeakPolarHBondContact O-CB 3.07Å; T738-L742 PolarHBondContact O-N 3.42Å; K739-L742 PolarHBondContact O-N 3.47Å; L742-K745 PolarHBondContact O-N 2.88Å; L742-C746 WeakPolarHBondContact O-CB 3.22Å; L742-C746 PolarHBondContact O-N 2.78Å; L742-C746 PolarHBondContact O-SG 3.24Å |
| 743 | A | 78.2 | Confident | 69.4 | Low | 58 Ų | 58 | 118 Ų | 118 | 48% | 0.479 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.7 | -41.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K739 L740 C746 A747 | K739-A743 WeakPolarHBondContact O-CB 3.42Å; K739-A743 PolarHBondContact O-N 3.22Å; L740-A743 PolarHBondContact O-N 2.92Å; A743-C746 PolarHBondContact O-N 2.73Å; A743-A747 VanDerWaalsContact O-CB 3.3Å; A743-A747 WeakPolarHBondContact O-CB 3.24Å; A743-A747 PolarHBondContact O-N 3.5Å |
| 744 | F | 76.6 | Confident | 68.3 | Low | 157 Ų | 157 | 122.4 Ų | 122.4 | 69% | 0.689 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.2 | -38.3 | 177.1 | -160.8 | -87.4 | 0 | 0 | 0 | 111.7 | L740 E741 A747 S748 | L740-F744 VanDerWaalsContact O-CB 3.31Å; L740-F744 WeakPolarHBondContact O-CB 2.88Å; L740-F744 PolarHBondContact O-N 3.46Å; E741-F744 PolarHBondContact O-N 3.22Å; F744-A747 PolarHBondContact O-N 2.76Å; F744-S748 WeakPolarHBondContact O-CB 3.49Å; F744-S748 PolarHBondContact O-N 3.3Å; F744-S748 PolarHBondContact O-OG 3.05Å |
| 745 | K | 79.4 | Confident | 66.9 | Low | 136 Ų | 136 | 122 Ų | 122 | 59% | 0.591 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.9 | -43.8 | 176.3 | -152.9 | 173.4 | -178.5 | -175.7 | 0 | 111.4 | E741 L742 A747 S748 D749 | E741-K745 VanDerWaalsContact O-CB 3.3Å; E741-K745 WeakPolarHBondContact O-CB 3.11Å; E741-K745 PolarHBondContact O-N 3.08Å; L742-K745 PolarHBondContact O-N 2.88Å; K745-A747 VanDerWaalsContact C-N 3.32Å; K745-A747 PolarHBondContact O-N 3.44Å; K745-S748 PolarHBondContact O-N 3.46Å; K745-S748 VanDerWaalsContact O-N 3.16Å; K745-D749 WeakPolarHBondContact O-CB 3.14Å; K745-D749 VanDerWaalsContact O-CG 3.24Å; K745-D749 PolarHBondContact O-N 3.32Å |
| 746 | C | 74.1 | Confident | 65.5 | Low | 73 Ų | 73 | 123.9 Ų | 123.9 | 49% | 0.493 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -62.9 | -35.2 | 172.4 | -69.6 | 0 | 0 | 0 | 0 | 113 | L742 A743 S750 | L742-C746 WeakPolarHBondContact O-CB 3.22Å; L742-C746 PolarHBondContact O-N 2.78Å; L742-C746 PolarHBondContact O-SG 3.24Å; A743-C746 PolarHBondContact O-N 2.73Å; C746-S750 VanDerWaalsContact O-CB 3.25Å; C746-S750 WeakPolarHBondContact O-CB 3.47Å; C746-S750 PolarHBondContact O-N 3.45Å |
| 747 | A | 69.5 | Low | 64 | Low | 55 Ų | 55 | 121.2 Ų | 121.2 | 46% | 0.455 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -71.8 | -31.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A743 F744 K745 N751 | A743-A747 VanDerWaalsContact O-CB 3.3Å; A743-A747 WeakPolarHBondContact O-CB 3.24Å; A743-A747 PolarHBondContact O-N 3.5Å; F744-A747 PolarHBondContact O-N 2.76Å; K745-A747 VanDerWaalsContact C-N 3.32Å; K745-A747 PolarHBondContact O-N 3.44Å; A747-N751 PolarHBondContact O-ND2 2.8Å |
| 748 | S | 64.6 | Low | 62.3 | Low | 60 Ų | 60 | 124.2 Ų | 124.2 | 42% | 0.42 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -76.6 | -39.9 | 177.4 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | F744 K745 S750 | F744-S748 WeakPolarHBondContact O-CB 3.49Å; F744-S748 PolarHBondContact O-N 3.3Å; F744-S748 PolarHBondContact O-OG 3.05Å; K745-S748 PolarHBondContact O-N 3.46Å; K745-S748 VanDerWaalsContact O-N 3.16Å; S748-S750 VanDerWaalsContact C-N 3.3Å; S748-S750 PolarHBondContact O-N 3.38Å |
| 749 | D | 62.4 | Low | 60.8 | Low | 118 Ų | 118 | 129.4 Ų | 129.4 | 63% | 0.631 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -76.7 | -15.7 | -179.8 | -64.6 | -18.6 | 0 | 0 | 0 | 112.6 | K745 | K745-D749 WeakPolarHBondContact O-CB 3.14Å; K745-D749 VanDerWaalsContact O-CG 3.24Å; K745-D749 PolarHBondContact O-N 3.32Å |
| 750 | S | 55.9 | Low | 59.1 | Low | 88 Ų | 88 | 127.1 Ų | 127.1 | 62% | 0.615 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -5.9 | 179.1 | -176.9 | 0 | 0 | 0 | 0 | 114.6 | C746 S748 | C746-S750 VanDerWaalsContact O-CB 3.25Å; C746-S750 WeakPolarHBondContact O-CB 3.47Å; C746-S750 PolarHBondContact O-N 3.45Å; S748-S750 VanDerWaalsContact C-N 3.3Å; S748-S750 PolarHBondContact O-N 3.38Å |
| 751 | N | 54.1 | Low | 57.4 | Low | 145 Ų | 145 | 125.3 Ų | 125.3 | 78% | 0.775 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 9 | -177.1 | -82.4 | -27.8 | 0 | 0 | 0 | 114.7 | A747 | A747-N751 PolarHBondContact O-ND2 2.8Š|
| 752 | E | 51.4 | Low | 55.2 | Low | 179 Ų | 179 | 125.2 Ų | 125.2 | 84% | 0.836 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -110.4 | 32.4 | -177.8 | -113.4 | 166.4 | -172 | 0 | 0 | 113.9 | | |
| 753 | S | 45.4 | Very low | 53.3 | Low | 98 Ų | 98 | 127.7 Ų | 127.7 | 69% | 0.685 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -173.4 | 99.5 | 156.1 | 48.5 | 0 | 0 | 0 | 0 | 112 | | |
| 754 | R | 43.8 | Very low | 51.4 | Low | 240 Ų | 240 | 130 Ų | 130 | 91% | 0.906 | 72% | 0.724 | S | S | * | * | | | trans | 166 | 75.7 | 143.3 | -90.6 | 161.3 | -175.7 | -173.8 | 3.4 | 110.5 | | |
| 755 | N | 39.6 | Very low | 49.4 | Very low | 150 Ų | 150 | 131.7 Ų | 131.7 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | | | trans | -68.7 | 136 | 148.4 | -66.5 | -31.9 | 0 | 0 | 0 | 107.5 | | |
| 756 | N | 38.7 | Very low | 47.5 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 87.7 | 82.1 | 172.8 | -41.5 | -34.5 | 0 | 0 | 0 | 116 | | |
| 757 | A | 40.8 | Very low | 46.1 | Very low | 87 Ų | 87 | 137.3 Ų | 137.3 | 72% | 0.719 | 76% | 0.76 | S | S | * | * | | | trans | 163.1 | 95.8 | 136.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 758 | F | 40.1 | Very low | 44.5 | Very low | 211 Ų | 211 | 144 Ų | 144 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | | | trans | 171.8 | 72.4 | 150.2 | -95.2 | -69 | 0 | 0 | 0 | 107.5 | | |
| 759 | M | 45.1 | Very low | 43.6 | Very low | 175 Ų | 175 | 149.5 Ų | 149.5 | 86% | 0.862 | 80% | 0.801 | S | S | * | * | | | trans | -94 | 113.8 | 157.1 | -86.7 | -103.9 | 75.7 | 0 | 0 | 106.5 | A761 | M759-A761 PolarHBondContact O-N 3.31Š|
| 760 | P | 44.2 | Very low | 42.5 | Very low | 110 Ų | 110 | 155.7 Ų | 155.7 | 71% | 0.714 | 82% | 0.816 | S | S | * | * | | | trans | -71.9 | 125.2 | 167.6 | 28.9 | -29.3 | 0 | 0 | 0 | 108.2 | S762 | P760-S762 PolarHBondContact O-N 3.35Š|
| 761 | A | 39.8 | Very low | 41.4 | Very low | 89 Ų | 89 | 160.6 Ų | 160.6 | 74% | 0.736 | 83% | 0.829 | S | S | * | * | | | trans | -60.9 | 128.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | M759 L763 | M759-A761 PolarHBondContact O-N 3.31Å; A761-L763 PolarHBondContact O-N 3.47Å |
| 762 | S | 33.1 | Very low | 40.5 | Very low | 124 Ų | 124 | 159.3 Ų | 159.3 | 87% | 0.867 | 83% | 0.831 | S | S | * | * | | | trans | -61.8 | 111.9 | 169.3 | 50.6 | 0 | 0 | 0 | 0 | 110.2 | P760 | P760-S762 PolarHBondContact O-N 3.35Š|
| 763 | L | 42.1 | Very low | 39.8 | Very low | 168 Ų | 168 | 159.9 Ų | 159.9 | 88% | 0.88 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 133.2 | 168 | -105.9 | 129.2 | 0 | 0 | 0 | 109.9 | A761 | A761-L763 PolarHBondContact O-N 3.47Š|
| 764 | S | 37.8 | Very low | 39.6 | Very low | 107 Ų | 107 | 162 Ų | 162 | 75% | 0.748 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 150.8 | -171 | 52.1 | 0 | 0 | 0 | 0 | 114.6 | Q766 | S764-Q766 PolarHBondContact O-N 3.48Š|
| 765 | E | 36.4 | Very low | 39.7 | Very low | 193 Ų | 193 | 159.7 Ų | 159.7 | 90% | 0.902 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 119.6 | 168.5 | -66.1 | 168.9 | 148.8 | 0 | 0 | 112.6 | | |
| 766 | Q | 38.8 | Very low | 40.3 | Very low | 176 Ų | 176 | 158 Ų | 158 | 82% | 0.822 | 84% | 0.843 | S | S | * | * | | | trans | -161.9 | 136.8 | 147.1 | -118.9 | 171.7 | -15.9 | 0 | 0 | 110.1 | S764 | S764-Q766 PolarHBondContact O-N 3.48Š|
| 767 | D | 44 | Very low | 41.3 | Very low | 151 Ų | 151 | 155.3 Ų | 155.3 | 81% | 0.807 | 83% | 0.827 | S | S | * | * | | | trans | 95.6 | 79.9 | 165.3 | -50.8 | -18.4 | 0 | 0 | 0 | 117 | | |
| 768 | E | 36.7 | Very low | 42.4 | Very low | 195 Ų | 195 | 155.5 Ų | 155.5 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | | | trans | -69.3 | 115.2 | 148.7 | -66 | -162.8 | 158.5 | 0 | 0 | 110.4 | | |
| 769 | E | 45.2 | Very low | 42.9 | Very low | 176 Ų | 176 | 152.1 Ų | 152.1 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | | | trans | -171.8 | 151.8 | 146.2 | -117.8 | 173.7 | 163 | 0 | 0 | 107.4 | | |
| 770 | W | 38.9 | Very low | 43.6 | Very low | 248 Ų | 248 | 152.1 Ų | 152.1 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | | | trans | 90.2 | 49 | -176.6 | -47.4 | 100 | 0 | 0 | 0 | 117.5 | | |
| 771 | Q | 32.5 | Very low | 44.4 | Very low | 190 Ų | 190 | 153.5 Ų | 153.5 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | | | trans | -106 | 112.7 | 143.1 | -82.8 | -171.6 | -3.6 | 0 | 0 | 108.9 | | |
| 772 | S | 37.1 | Very low | 45.1 | Very low | 119 Ų | 119 | 157.9 Ų | 157.9 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | trans | 169.9 | 113.6 | 145.5 | -78.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 773 | Q | 36.1 | Very low | 46.4 | Very low | 191 Ų | 191 | 162.3 Ų | 162.3 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | | | trans | 130.6 | 77.1 | 158.2 | -73.5 | -176.5 | 12 | 0 | 0 | 113 | | |
| 774 | T | 41.8 | Very low | 47.4 | Very low | 143 Ų | 143 | 163.6 Ų | 163.6 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | | | trans | -143.8 | 86.9 | 144.2 | 39.5 | 0 | 0 | 0 | 0 | 108.1 | S776 | T774-S776 PolarHBondContact O-N 3.47Š|
| 775 | E | 45.1 | Very low | 48.3 | Very low | 191 Ų | 191 | 163 Ų | 163 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 120.6 | 167.1 | -79.5 | -178.9 | 150.1 | 0 | 0 | 109.1 | I777 | E775-I777 PolarHBondContact O-N 3.4Š|
| 776 | S | 51.3 | Low | 49.3 | Very low | 115 Ų | 115 | 160.8 Ų | 160.8 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 117.7 | 177.6 | 58.8 | 0 | 0 | 0 | 0 | 111 | T774 | T774-S776 PolarHBondContact O-N 3.47Š|
| 777 | I | 61.3 | Low | 50.1 | Low | 103 Ų | 103 | 155.4 Ų | 155.4 | 53% | 0.528 | 75% | 0.754 | S | S | . | * | P | Polyproline II helix | trans | -66 | 129.7 | 175 | -64.2 | 166.5 | 0 | 0 | 0 | 109.4 | E775 K781 | E775-I777 PolarHBondContact O-N 3.4Å; I777-K781 HydrophobicContact CG2-CB 3.42Å; I777-K781 VanDerWaalsContact CG2-CB 3.42Å; I777-K781 HydrophobicContact CG2-CD 3.99Å; I777-K781 HydrophobicContact CG2-CG 4.33Å |
| 778 | P | 62.3 | Low | 50.7 | Low | 90 Ų | 90 | 154.1 Ų | 154.1 | 58% | 0.584 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -58 | 139.5 | 177.1 | -22.4 | 31.6 | 0 | 0 | 0 | 111.9 | Q780 K781 | P778-Q780 PolarHBondContact O-N 3.49Å; P778-K781 WeakPolarHBondContact O-CB 3.46Å; P778-K781 PolarHBondContact O-N 2.91Å |
| 779 | L | 51.9 | Low | 51.6 | Low | 141 Ų | 141 | 151.4 Ų | 151.4 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -50.7 | -25.4 | -178.3 | -75.2 | 165.4 | 0 | 0 | 0 | 114.2 | K781 R782 | L779-K781 VanDerWaalsContact C-N 3.33Å; L779-K781 PolarHBondContact O-N 3.34Å; L779-R782 PolarHBondContact O-N 2.83Å |
| 780 | Q | 59.3 | Low | 52 | Low | 174 Ų | 174 | 146.7 Ų | 146.7 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -71 | -24 | 177.2 | -144.2 | 171.8 | 2.9 | 0 | 0 | 113.6 | P778 | P778-Q780 PolarHBondContact O-N 3.49Å |
| 781 | K | 60.4 | Low | 52.4 | Low | 140 Ų | 140 | 141.4 Ų | 141.4 | 61% | 0.609 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -83 | -28.8 | 174.1 | -117.1 | 179.7 | 178.4 | 179.8 | 0 | 112.7 | I777 P778 L779 R783 R784 L785 | I777-K781 HydrophobicContact CG2-CB 3.42Å; I777-K781 VanDerWaalsContact CG2-CB 3.42Å; I777-K781 HydrophobicContact CG2-CD 3.99Å; I777-K781 HydrophobicContact CG2-CG 4.33Å; P778-K781 WeakPolarHBondContact O-CB 3.46Å; P778-K781 PolarHBondContact O-N 2.91Å; L779-K781 VanDerWaalsContact C-N 3.33Å; L779-K781 PolarHBondContact O-N 3.34Å; K781-R783 VanDerWaalsContact C-N 3.34Å; K781-R783 PolarHBondContact O-N 3.28Å; K781-R784 PolarHBondContact O-N 3.32Å; K781-L785 PolarHBondContact O-N 3.38Å |
| 782 | R | 55.1 | Low | 53 | Low | 181 Ų | 181 | 139.8 Ų | 139.8 | 68% | 0.683 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -63.9 | -36.2 | 174.4 | -105.1 | -177.8 | -178.6 | 174.9 | 0.4 | 112.5 | L779 R784 F786 | L779-R782 PolarHBondContact O-N 2.83Å; R782-R784 VanDerWaalsContact C-N 3.35Å; R782-R784 PolarHBondContact O-N 3.11Å; R782-F786 PolarHBondContact O-N 3.02Å |
| 783 | R | 60.8 | Low | 53.4 | Low | 217 Ų | 217 | 139.5 Ų | 139.5 | 82% | 0.819 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -69.2 | -25 | 176.4 | -90.7 | -177.2 | 165 | 179.2 | -4.4 | 114.5 | K781 | K781-R783 VanDerWaalsContact C-N 3.34Å; K781-R783 PolarHBondContact O-N 3.28Å |
| 784 | R | 61.7 | Low | 54.1 | Low | 194 Ų | 194 | 136 Ų | 136 | 73% | 0.732 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -81.1 | -36.9 | 175.2 | -88.7 | -174.9 | 175 | 170.6 | -1.2 | 113 | K781 R782 F786 A787 E788 | K781-R784 PolarHBondContact O-N 3.32Å; R782-R784 VanDerWaalsContact C-N 3.35Å; R782-R784 PolarHBondContact O-N 3.11Å; R784-F786 VanDerWaalsContact C-N 3.33Å; R784-F786 PolarHBondContact O-N 3.11Å; R784-A787 PolarHBondContact O-N 3.03Å; R784-E788 PolarHBondContact O-N 2.97Å |
| 785 | L | 58.6 | Low | 54.6 | Low | 94 Ų | 94 | 138.3 Ų | 138.3 | 49% | 0.492 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -69.8 | -28.4 | 178.6 | -70.1 | 172.4 | 0 | 0 | 0 | 113.3 | K781 E788 Q789 | K781-L785 PolarHBondContact O-N 3.38Å; L785-E788 PolarHBondContact O-N 3.06Å; L785-Q789 PolarHBondContact O-N 2.76Å |
| 786 | F | 55.6 | Low | 54.7 | Low | 148 Ų | 148 | 139.6 Ų | 139.6 | 65% | 0.649 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -72.8 | -30 | 175.2 | -137 | -91.3 | 0 | 0 | 0 | 112.8 | R782 R784 C790 | R782-F786 PolarHBondContact O-N 3.02Å; R784-F786 VanDerWaalsContact C-N 3.33Å; R784-F786 PolarHBondContact O-N 3.11Å; F786-C790 PolarHBondContact O-N 3.12Å; F786-C790 PolarHBondContact O-SG 3.19Å |
| 787 | A | 56.8 | Low | 54.6 | Low | 63 Ų | 63 | 143.3 Ų | 143.3 | 52% | 0.521 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -76.2 | -24.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | R784 | R784-A787 PolarHBondContact O-N 3.03Å |
| 788 | E | 56.5 | Low | 54.2 | Low | 124 Ų | 124 | 148.4 Ų | 148.4 | 58% | 0.579 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -87.4 | -30.6 | 176.7 | -69.9 | 175.9 | 176.2 | 0 | 0 | 112.3 | R784 L785 L791 | R784-E788 PolarHBondContact O-N 2.97Å; L785-E788 PolarHBondContact O-N 3.06Å; E788-L791 PolarHBondContact O-N 2.84Å |
| 789 | Q | 55.9 | Low | 53.8 | Low | 137 Ų | 137 | 151.3 Ų | 151.3 | 64% | 0.64 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -74.6 | -24.6 | 175 | -89.1 | -177.4 | -22.6 | 0 | 0 | 114.7 | L785 L791 | L785-Q789 PolarHBondContact O-N 2.76Å; Q789-L791 VanDerWaalsContact C-N 3.29Å; Q789-L791 PolarHBondContact O-N 3.28Å |
| 790 | C | 52 | Low | 53.9 | Low | 78 Ų | 78 | 151.8 Ų | 151.8 | 53% | 0.527 | 72% | 0.723 | S | S | . | * | H | α-helix | trans | -77.6 | -9.6 | 175.4 | -71.5 | 0 | 0 | 0 | 0 | 114.1 | F786 | F786-C790 PolarHBondContact O-N 3.12Å; F786-C790 PolarHBondContact O-SG 3.19Å |
| 791 | L | 48.9 | Very low | 53.6 | Low | 137 Ų | 137 | 150.6 Ų | 150.6 | 72% | 0.717 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -97.7 | -16.9 | 174.4 | -82.9 | 161.8 | 0 | 0 | 0 | 113.2 | E788 Q789 | E788-L791 PolarHBondContact O-N 2.84Å; Q789-L791 VanDerWaalsContact C-N 3.29Å; Q789-L791 PolarHBondContact O-N 3.28Å |
| 792 | E | 43.8 | Very low | 53.2 | Low | 155 Ų | 155 | 151.2 Ų | 151.2 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -91 | -14.8 | -175.2 | -154 | 89.2 | -152.2 | 0 | 0 | 113.3 | | |
| 793 | T | 47.1 | Very low | 53 | Low | 114 Ų | 114 | 149.4 Ų | 149.4 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -93.7 | -3.2 | -178.4 | 49.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 794 | V | 50.1 | Low | 52.5 | Low | 118 Ų | 118 | 144.9 Ų | 144.9 | 72% | 0.715 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -93.2 | -6.5 | 178.2 | 179.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 795 | F | 51.3 | Low | 51.9 | Low | 191 Ų | 191 | 141.4 Ų | 141.4 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -109.6 | 18 | -176 | -96.7 | -81 | 0 | 0 | 0 | 115.7 | | |
| 796 | R | 48.9 | Very low | 51.3 | Low | 217 Ų | 217 | 145 Ų | 145 | 82% | 0.819 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -123.6 | 10.9 | -175.1 | -123.3 | -176 | -161.5 | 179.4 | 7.1 | 117.1 | | |
| 797 | H | 48.4 | Very low | 51 | Low | 193 Ų | 193 | 144.8 Ų | 144.8 | 89% | 0.894 | 75% | 0.746 | S | S | * | * | | | trans | -131.1 | 66 | 171.7 | -85.3 | 16.4 | 0 | 0 | 0 | 110.6 | | |
| 798 | V | 52.2 | Low | 50.5 | Low | 210 Ų | 210 | 152.2 Ų | 152.2 | 100% | 1.273 | 77% | 0.766 | S | S | * | * | | | trans | -141.3 | 0 | 151.4 | 179.8 | 0 | 0 | 0 | 0 | 104.9 | | |